NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
551096 | 2ly4 | 18709 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 -3.201 16.202 -12.515 2 H2 GLY 1 HT2 GLY 1 -3.205 16.033 -14.201 3 H3 GLY 1 HT3 GLY 1 -2.552 17.429 -13.490 4 HA2 GLY 1 HA3 GLY 1 -1.481 14.682 -13.191 5 HA3 GLY 1 HA2 GLY 1 -0.819 15.920 -14.249 6 H LYS 2 H LYS 2 -1.723 15.412 -10.839 7 HA LYS 2 HA LYS 2 -0.064 17.396 -9.739 8 HB2 LYS 2 HB2 LYS 2 -1.865 16.155 -8.517 9 HB3 LYS 2 HB3 LYS 2 -0.821 14.741 -8.491 10 HG2 LYS 2 HG2 LYS 2 -0.678 15.813 -6.369 11 HG3 LYS 2 HG3 LYS 2 0.846 16.078 -7.214 12 HD2 LYS 2 HD2 LYS 2 0.183 18.316 -7.811 13 HD3 LYS 2 HD3 LYS 2 -1.423 18.064 -7.125 14 HE2 LYS 2 HE2 LYS 2 -0.186 19.310 -5.534 15 HE3 LYS 2 HE3 LYS 2 -0.300 17.668 -4.910 16 HZ1 LYS 2 HZ1 LYS 2 2.043 19.002 -6.119 17 HZ2 LYS 2 HZ2 LYS 2 1.968 17.315 -5.963 18 HZ3 LYS 2 HZ3 LYS 2 1.910 18.304 -4.584 19 H GLY 3 H GLY 3 0.487 13.899 -10.112 20 HA2 GLY 3 HA2 GLY 3 2.414 12.816 -10.792 21 HA3 GLY 3 HA3 GLY 3 3.211 14.375 -10.916 22 H ASP 4 H ASP 4 4.407 15.141 -9.245 23 HA ASP 4 HA ASP 4 6.013 14.849 -7.650 24 HB2 ASP 4 HB2 ASP 4 3.585 13.779 -6.206 25 HB3 ASP 4 HB3 ASP 4 5.122 14.109 -5.418 26 HA PRO 5 HA PRO 5 6.007 10.208 -8.504 27 HB2 PRO 5 HB2 PRO 5 7.812 10.423 -10.713 28 HB3 PRO 5 HB3 PRO 5 6.099 10.011 -10.750 29 HG2 PRO 5 HG2 PRO 5 7.179 12.327 -11.797 30 HG3 PRO 5 HG3 PRO 5 5.483 12.125 -11.327 31 HD2 PRO 5 HD2 PRO 5 7.730 13.412 -9.826 32 HD3 PRO 5 HD3 PRO 5 6.031 13.918 -9.971 33 H LYS 6 H LYS 6 8.047 12.206 -7.176 34 HA LYS 6 HA LYS 6 10.148 10.168 -6.893 35 HB2 LYS 6 HB2 LYS 6 10.538 13.145 -7.233 36 HB3 LYS 6 HB3 LYS 6 11.796 12.071 -6.634 37 HG2 LYS 6 HG2 LYS 6 11.632 10.773 -8.739 38 HG3 LYS 6 HG3 LYS 6 10.474 11.962 -9.336 39 HD2 LYS 6 HD2 LYS 6 12.124 13.706 -9.230 40 HD3 LYS 6 HD3 LYS 6 13.275 12.622 -8.444 41 HE2 LYS 6 HE2 LYS 6 13.840 12.850 -10.779 42 HE3 LYS 6 HE3 LYS 6 13.281 11.210 -10.460 43 HZ1 LYS 6 HZ1 LYS 6 11.142 11.762 -11.405 44 HZ2 LYS 6 HZ2 LYS 6 12.365 12.136 -12.517 45 HZ3 LYS 6 HZ3 LYS 6 11.617 13.377 -11.638 46 H LYS 7 H LYS 7 7.807 10.742 -5.289 47 HA LYS 7 HA LYS 7 8.504 12.132 -2.926 48 HB2 LYS 7 HB2 LYS 7 6.448 10.002 -3.503 49 HB3 LYS 7 HB3 LYS 7 6.627 10.740 -1.920 50 HG2 LYS 7 HG2 LYS 7 6.076 12.904 -2.822 51 HG3 LYS 7 HG3 LYS 7 5.999 12.233 -4.456 52 HD2 LYS 7 HD2 LYS 7 4.150 10.788 -3.782 53 HD3 LYS 7 HD3 LYS 7 4.243 11.423 -2.138 54 HE2 LYS 7 HE2 LYS 7 3.648 13.629 -2.915 55 HE3 LYS 7 HE3 LYS 7 3.663 13.074 -4.588 56 HZ1 LYS 7 HZ1 LYS 7 1.422 13.206 -3.706 57 HZ2 LYS 7 HZ2 LYS 7 1.815 12.115 -2.471 58 HZ3 LYS 7 HZ3 LYS 7 1.823 11.601 -4.090 59 HA PRO 8 HA PRO 8 10.749 9.046 -0.506 60 HB2 PRO 8 HB2 PRO 8 8.992 9.783 1.752 61 HB3 PRO 8 HB3 PRO 8 10.751 9.879 1.621 62 HG2 PRO 8 HG2 PRO 8 9.224 12.080 1.587 63 HG3 PRO 8 HG3 PRO 8 10.693 11.951 0.600 64 HD2 PRO 8 HD2 PRO 8 7.829 11.652 -0.217 65 HD3 PRO 8 HD3 PRO 8 9.162 12.460 -1.064 66 H ARG 9 H ARG 9 9.850 7.486 1.503 67 HA ARG 9 HA ARG 9 8.583 5.367 0.315 68 HB2 ARG 9 HB2 ARG 9 9.755 5.427 2.571 69 HB3 ARG 9 HB3 ARG 9 8.239 6.022 3.234 70 HG2 ARG 9 HG2 ARG 9 8.137 3.748 3.641 71 HG3 ARG 9 HG3 ARG 9 7.197 3.923 2.154 72 HD2 ARG 9 HD2 ARG 9 8.654 2.054 1.891 73 HD3 ARG 9 HD3 ARG 9 9.250 3.362 0.871 74 HE ARG 9 HE ARG 9 10.632 3.659 3.207 75 HH11 ARG 9 HH11 ARG 9 10.168 1.052 0.940 76 HH12 ARG 9 HH12 ARG 9 11.699 0.292 1.273 77 HH21 ARG 9 HH21 ARG 9 12.665 2.689 3.646 78 HH22 ARG 9 HH22 ARG 9 13.117 1.234 2.810 79 H GLY 10 H GLY 10 7.066 7.787 2.398 80 HA2 GLY 10 HA2 GLY 10 4.985 8.749 1.335 81 HA3 GLY 10 HA3 GLY 10 4.476 7.076 1.166 82 H LYS 11 H LYS 11 2.665 8.347 2.385 83 HA LYS 11 HA LYS 11 3.121 8.104 5.287 84 HB2 LYS 11 HB2 LYS 11 0.873 9.468 3.787 85 HB3 LYS 11 HB3 LYS 11 1.038 9.401 5.533 86 HG2 LYS 11 HG2 LYS 11 3.103 10.694 5.391 87 HG3 LYS 11 HG3 LYS 11 2.938 10.760 3.636 88 HD2 LYS 11 HD2 LYS 11 2.101 12.819 4.477 89 HD3 LYS 11 HD3 LYS 11 0.701 11.859 3.997 90 HE2 LYS 11 HE2 LYS 11 0.646 11.100 6.460 91 HE3 LYS 11 HE3 LYS 11 1.713 12.470 6.752 92 HZ1 LYS 11 HZ1 LYS 11 -0.988 12.617 5.524 93 HZ2 LYS 11 HZ2 LYS 11 0.044 13.934 5.797 94 HZ3 LYS 11 HZ3 LYS 11 -0.592 13.071 7.110 95 H MET 12 H MET 12 2.691 5.995 3.278 96 HA MET 12 HA MET 12 0.131 5.011 3.083 97 HB2 MET 12 HB2 MET 12 2.673 3.387 3.318 98 HB3 MET 12 HB3 MET 12 1.151 2.833 2.628 99 HG2 MET 12 HG2 MET 12 1.361 4.603 0.897 100 HG3 MET 12 HG3 MET 12 2.953 4.986 1.548 101 HE1 MET 12 HE1 MET 12 3.753 1.831 2.348 102 HE2 MET 12 HE2 MET 12 4.867 3.080 1.789 103 HE3 MET 12 HE3 MET 12 4.799 1.524 0.958 104 H SER 13 H SER 13 -1.113 3.579 4.212 105 HA SER 13 HA SER 13 -0.924 3.661 7.036 106 HB2 SER 13 HB2 SER 13 -2.610 1.829 5.308 107 HB3 SER 13 HB3 SER 13 -2.905 2.249 7.000 108 HG SER 13 HG SER 13 -2.717 4.538 5.772 109 H SER 14 H SER 14 -1.037 1.609 8.376 110 HA SER 14 HA SER 14 1.379 0.256 8.290 111 HB2 SER 14 HB2 SER 14 0.243 -1.337 9.900 112 HB3 SER 14 HB3 SER 14 0.153 0.371 10.337 113 HG SER 14 HG SER 14 -1.880 -0.615 10.550 114 H TYR 15 H TYR 15 -1.680 -0.526 6.833 115 HA TYR 15 HA TYR 15 -1.391 -3.196 6.196 116 HB2 TYR 15 HB2 TYR 15 -3.323 -1.466 5.810 117 HB3 TYR 15 HB3 TYR 15 -2.573 -1.262 4.233 118 HD1 TYR 15 HD1 TYR 15 -1.871 -4.527 4.904 119 HD2 TYR 15 HD2 TYR 15 -5.228 -2.046 4.083 120 HE1 TYR 15 HE1 TYR 15 -3.113 -6.483 4.084 121 HE2 TYR 15 HE2 TYR 15 -6.476 -3.995 3.260 122 HH TYR 15 HH TYR 15 -5.711 -6.345 2.208 123 H ALA 16 H ALA 16 -0.306 -0.357 4.317 124 HA ALA 16 HA ALA 16 0.816 -1.978 2.240 125 HB1 ALA 16 HB1 ALA 16 1.662 0.071 1.289 126 HB2 ALA 16 HB2 ALA 16 1.306 0.946 2.782 127 HB3 ALA 16 HB3 ALA 16 -0.013 0.299 1.806 128 H PHE 17 H PHE 17 2.003 -0.521 5.187 129 HA PHE 17 HA PHE 17 4.762 -0.824 4.654 130 HB2 PHE 17 HB2 PHE 17 3.119 -0.412 7.106 131 HB3 PHE 17 HB3 PHE 17 4.781 -0.960 7.307 132 HD1 PHE 17 HD1 PHE 17 2.888 1.601 5.359 133 HD2 PHE 17 HD2 PHE 17 6.386 0.638 7.576 134 HE1 PHE 17 HE1 PHE 17 3.695 3.906 5.077 135 HE2 PHE 17 HE2 PHE 17 7.198 2.945 7.305 136 HZ PHE 17 HZ PHE 17 5.854 4.580 6.052 137 H PHE 18 H PHE 18 2.319 -2.987 5.907 138 HA PHE 18 HA PHE 18 3.919 -5.119 6.726 139 HB2 PHE 18 HB2 PHE 18 1.575 -5.121 7.213 140 HB3 PHE 18 HB3 PHE 18 1.157 -5.017 5.508 141 HD1 PHE 18 HD2 PHE 18 2.963 -7.261 7.881 142 HD2 PHE 18 HD1 PHE 18 0.509 -6.915 4.427 143 HE1 PHE 18 HE2 PHE 18 2.773 -9.712 7.774 144 HE2 PHE 18 HE1 PHE 18 0.305 -9.355 4.312 145 HZ PHE 18 HZ PHE 18 1.440 -10.764 5.988 146 H VAL 19 H VAL 19 2.447 -4.519 3.532 147 HA VAL 19 HA VAL 19 3.797 -6.621 2.193 148 HB VAL 19 HB VAL 19 2.758 -4.012 1.054 149 HG11 VAL 19 HG11 VAL 19 3.435 -6.600 -0.344 150 HG12 VAL 19 HG12 VAL 19 4.344 -5.092 -0.457 151 HG13 VAL 19 HG13 VAL 19 2.701 -5.182 -1.091 152 HG21 VAL 19 HG21 VAL 19 1.458 -6.716 1.288 153 HG22 VAL 19 HG22 VAL 19 0.805 -5.343 0.395 154 HG23 VAL 19 HG23 VAL 19 0.999 -5.244 2.146 155 H GLN 20 H GLN 20 4.531 -3.232 2.712 156 HA GLN 20 HA GLN 20 6.666 -2.890 0.987 157 HB2 GLN 20 HB2 GLN 20 5.483 -1.096 2.222 158 HB3 GLN 20 HB3 GLN 20 6.293 -1.606 3.696 159 HG2 GLN 20 HG2 GLN 20 8.249 -1.158 1.679 160 HG3 GLN 20 HG3 GLN 20 7.165 0.232 1.754 161 HE21 GLN 20 HE21 GLN 20 6.987 1.383 3.703 162 HE22 GLN 20 HE22 GLN 20 8.224 1.309 4.909 163 H THR 21 H THR 21 6.878 -3.663 4.471 164 HA THR 21 HA THR 21 9.699 -3.848 4.394 165 HB THR 21 HB THR 21 8.419 -3.344 6.459 166 HG1 THR 21 HG1 THR 21 10.020 -4.126 7.617 167 HG21 THR 21 HG21 THR 21 7.749 -6.288 6.426 168 HG22 THR 21 HG22 THR 21 6.607 -4.957 6.237 169 HG23 THR 21 HG23 THR 21 7.454 -5.181 7.769 170 H CYS 22 H CYS 22 7.150 -6.227 3.919 171 HA CYS 22 HA CYS 22 8.899 -8.479 4.212 172 HB2 CYS 22 HB2 CYS 22 6.452 -8.597 4.652 173 HB3 CYS 22 HB3 CYS 22 6.161 -8.372 2.931 174 HG CYS 22 HG CYS 22 8.085 -10.796 2.745 175 H ARG 23 H ARG 23 7.441 -6.792 1.432 176 HA ARG 23 HA ARG 23 8.590 -8.491 -0.516 177 HB2 ARG 23 HB2 ARG 23 7.136 -7.348 -1.768 178 HB3 ARG 23 HB3 ARG 23 6.918 -6.164 -0.493 179 HG2 ARG 23 HG2 ARG 23 9.316 -5.907 -2.229 180 HG3 ARG 23 HG3 ARG 23 7.742 -5.494 -2.912 181 HD2 ARG 23 HD2 ARG 23 7.411 -3.740 -1.442 182 HD3 ARG 23 HD3 ARG 23 8.527 -4.404 -0.242 183 HE ARG 23 HE ARG 23 9.724 -3.562 -2.755 184 HH11 ARG 23 HH11 ARG 23 8.881 -2.681 0.524 185 HH12 ARG 23 HH12 ARG 23 10.170 -1.530 0.684 186 HH21 ARG 23 HH21 ARG 23 11.419 -1.999 -2.540 187 HH22 ARG 23 HH22 ARG 23 11.598 -1.151 -1.033 188 H GLU 24 H GLU 24 9.764 -5.739 1.223 189 HA GLU 24 HA GLU 24 11.968 -5.227 -0.536 190 HB2 GLU 24 HB2 GLU 24 10.946 -3.454 0.788 191 HB3 GLU 24 HB3 GLU 24 11.405 -4.269 2.271 192 HG2 GLU 24 HG2 GLU 24 13.701 -3.859 1.886 193 HG3 GLU 24 HG3 GLU 24 13.401 -3.344 0.227 194 H GLU 25 H GLU 25 11.560 -6.744 2.645 195 HA GLU 25 HA GLU 25 14.215 -7.283 3.218 196 HB2 GLU 25 HB2 GLU 25 12.207 -7.635 4.708 197 HB3 GLU 25 HB3 GLU 25 11.904 -9.128 3.833 198 HG2 GLU 25 HG2 GLU 25 13.036 -9.735 5.786 199 HG3 GLU 25 HG3 GLU 25 14.217 -9.848 4.486 200 H HIS 26 H HIS 26 11.918 -9.143 1.287 201 HA HIS 26 HA HIS 26 13.638 -11.308 0.687 202 HB2 HIS 26 HB2 HIS 26 11.265 -11.568 0.396 203 HB3 HIS 26 HB3 HIS 26 11.198 -10.217 -0.729 204 HD1 HIS 26 HD1 HIS 26 11.207 -10.848 -3.126 205 HD2 HIS 26 HD2 HIS 26 12.862 -13.821 -0.738 206 HE1 HIS 26 HE1 HIS 26 11.702 -12.762 -4.676 207 HE2 HIS 26 HE2 HIS 26 12.797 -14.511 -3.234 208 H LYS 27 H LYS 27 13.162 -8.162 -0.786 209 HA LYS 27 HA LYS 27 14.562 -8.839 -3.208 210 HB2 LYS 27 HB2 LYS 27 12.676 -7.043 -2.731 211 HB3 LYS 27 HB3 LYS 27 14.051 -6.016 -2.364 212 HG2 LYS 27 HG2 LYS 27 13.861 -7.510 -4.956 213 HG3 LYS 27 HG3 LYS 27 13.083 -5.946 -4.728 214 HD2 LYS 27 HD2 LYS 27 15.254 -4.954 -4.170 215 HD3 LYS 27 HD3 LYS 27 16.026 -6.525 -4.398 216 HE2 LYS 27 HE2 LYS 27 14.482 -5.062 -6.535 217 HE3 LYS 27 HE3 LYS 27 16.237 -4.983 -6.349 218 HZ1 LYS 27 HZ1 LYS 27 16.361 -7.354 -6.722 219 HZ2 LYS 27 HZ2 LYS 27 15.563 -6.611 -8.014 220 HZ3 LYS 27 HZ3 LYS 27 14.677 -7.466 -6.850 221 H LYS 28 H LYS 28 15.326 -7.422 -0.122 222 HA LYS 28 HA LYS 28 17.872 -6.362 -0.824 223 HB2 LYS 28 HB2 LYS 28 16.706 -7.206 1.831 224 HB3 LYS 28 HB3 LYS 28 18.249 -6.381 1.651 225 HG2 LYS 28 HG2 LYS 28 17.271 -4.388 1.054 226 HG3 LYS 28 HG3 LYS 28 15.802 -5.167 0.463 227 HD2 LYS 28 HD2 LYS 28 15.394 -3.953 2.544 228 HD3 LYS 28 HD3 LYS 28 15.137 -5.687 2.745 229 HE2 LYS 28 HE2 LYS 28 17.466 -5.819 3.660 230 HE3 LYS 28 HE3 LYS 28 17.500 -4.054 3.644 231 HZ1 LYS 28 HZ1 LYS 28 15.442 -4.155 5.048 232 HZ2 LYS 28 HZ2 LYS 28 16.863 -4.694 5.800 233 HZ3 LYS 28 HZ3 LYS 28 15.725 -5.824 5.230 234 H LYS 29 H LYS 29 16.829 -9.420 0.656 235 HA LYS 29 HA LYS 29 19.434 -10.538 0.840 236 HB2 LYS 29 HB2 LYS 29 16.749 -11.921 0.691 237 HB3 LYS 29 HB3 LYS 29 18.260 -12.670 1.195 238 HG2 LYS 29 HG2 LYS 29 18.351 -11.409 3.168 239 HG3 LYS 29 HG3 LYS 29 17.119 -10.280 2.598 240 HD2 LYS 29 HD2 LYS 29 15.484 -12.159 2.625 241 HD3 LYS 29 HD3 LYS 29 16.731 -13.171 3.359 242 HE2 LYS 29 HE2 LYS 29 15.878 -10.551 4.540 243 HE3 LYS 29 HE3 LYS 29 15.063 -12.066 4.927 244 HZ1 LYS 29 HZ1 LYS 29 17.989 -11.790 5.232 245 HZ2 LYS 29 HZ2 LYS 29 16.938 -12.891 5.981 246 HZ3 LYS 29 HZ3 LYS 29 16.932 -11.260 6.447 247 H HIS 30 H HIS 30 16.965 -10.530 -1.650 248 HA HIS 30 HA HIS 30 18.852 -11.935 -3.418 249 HB2 HIS 30 HB2 HIS 30 15.886 -12.286 -3.149 250 HB3 HIS 30 HB3 HIS 30 16.689 -12.630 -4.676 251 HD1 HIS 30 HD1 HIS 30 18.265 -14.675 -4.757 252 HD2 HIS 30 HD2 HIS 30 16.331 -14.139 -1.116 253 HE1 HIS 30 HE1 HIS 30 18.591 -16.828 -3.492 254 HE2 HIS 30 HE2 HIS 30 17.202 -16.556 -1.403 255 HA PRO 31 HA PRO 31 18.156 -7.836 -5.345 256 HB2 PRO 31 HB2 PRO 31 20.853 -8.401 -6.388 257 HB3 PRO 31 HB3 PRO 31 20.269 -6.989 -5.503 258 HG2 PRO 31 HG2 PRO 31 21.925 -8.760 -4.358 259 HG3 PRO 31 HG3 PRO 31 20.633 -7.970 -3.432 260 HD2 PRO 31 HD2 PRO 31 20.699 -10.722 -4.621 261 HD3 PRO 31 HD3 PRO 31 20.130 -10.198 -3.020 262 H ASP 32 H ASP 32 18.879 -10.999 -6.368 263 HA ASP 32 HA ASP 32 18.669 -10.488 -9.211 264 HB2 ASP 32 HB2 ASP 32 19.019 -12.841 -9.485 265 HB3 ASP 32 HB3 ASP 32 20.110 -12.312 -8.209 266 H ALA 33 H ALA 33 16.509 -10.755 -6.679 267 HA ALA 33 HA ALA 33 14.479 -12.114 -8.314 268 HB1 ALA 33 HB1 ALA 33 15.003 -13.333 -6.298 269 HB2 ALA 33 HB2 ALA 33 13.365 -12.678 -6.195 270 HB3 ALA 33 HB3 ALA 33 14.686 -11.902 -5.319 271 H SER 34 H SER 34 12.356 -11.480 -8.165 272 HA SER 34 HA SER 34 11.736 -8.925 -6.877 273 HB2 SER 34 HB2 SER 34 12.031 -8.599 -9.370 274 HB3 SER 34 HB3 SER 34 10.714 -9.744 -9.618 275 HG SER 34 HG SER 34 10.100 -7.474 -9.630 276 H VAL 35 H VAL 35 8.987 -9.009 -7.516 277 HA VAL 35 HA VAL 35 8.136 -11.692 -6.668 278 HB VAL 35 HB VAL 35 6.548 -10.832 -5.069 279 HG11 VAL 35 HG11 VAL 35 8.014 -9.881 -3.353 280 HG12 VAL 35 HG12 VAL 35 9.254 -9.605 -4.576 281 HG13 VAL 35 HG13 VAL 35 8.765 -11.251 -4.174 282 HG21 VAL 35 HG21 VAL 35 6.437 -8.453 -4.491 283 HG22 VAL 35 HG22 VAL 35 5.954 -8.767 -6.159 284 HG23 VAL 35 HG23 VAL 35 7.553 -8.099 -5.814 285 H ASN 36 H ASN 36 5.742 -11.979 -7.004 286 HA ASN 36 HA ASN 36 4.905 -10.588 -9.438 287 HB2 ASN 36 HB2 ASN 36 3.628 -12.927 -8.000 288 HB3 ASN 36 HB3 ASN 36 3.107 -12.272 -9.544 289 HD21 ASN 36 HD21 ASN 36 5.848 -11.853 -10.494 290 HD22 ASN 36 HD22 ASN 36 6.461 -13.428 -10.871 291 H PHE 37 H PHE 37 3.570 -8.916 -9.346 292 HA PHE 37 HA PHE 37 2.852 -7.681 -6.977 293 HB2 PHE 37 HB2 PHE 37 1.922 -7.368 -9.806 294 HB3 PHE 37 HB3 PHE 37 1.123 -6.467 -8.521 295 HD1 PHE 37 HD1 PHE 37 4.255 -6.909 -10.386 296 HD2 PHE 37 HD2 PHE 37 2.234 -4.698 -7.362 297 HE1 PHE 37 HE1 PHE 37 6.012 -5.191 -10.471 298 HE2 PHE 37 HE2 PHE 37 3.992 -2.980 -7.437 299 HZ PHE 37 HZ PHE 37 5.884 -3.223 -8.990 300 H SER 38 H SER 38 0.673 -9.515 -9.151 301 HA SER 38 HA SER 38 -1.616 -9.137 -7.538 302 HB2 SER 38 HB2 SER 38 -1.061 -11.338 -9.543 303 HB3 SER 38 HB3 SER 38 -2.645 -10.881 -8.918 304 HG SER 38 HG SER 38 -2.191 -8.740 -9.821 305 H GLU 39 H GLU 39 0.805 -11.689 -7.683 306 HA GLU 39 HA GLU 39 -0.467 -13.506 -5.940 307 HB2 GLU 39 HB2 GLU 39 2.417 -13.092 -6.702 308 HB3 GLU 39 HB3 GLU 39 1.907 -14.372 -5.610 309 HG2 GLU 39 HG2 GLU 39 0.999 -14.011 -8.451 310 HG3 GLU 39 HG3 GLU 39 2.195 -15.177 -7.881 311 H PHE 40 H PHE 40 2.322 -11.394 -5.311 312 HA PHE 40 HA PHE 40 2.518 -12.078 -2.603 313 HB2 PHE 40 HB2 PHE 40 4.332 -11.101 -4.006 314 HB3 PHE 40 HB3 PHE 40 3.501 -9.551 -3.934 315 HD1 PHE 40 HD2 PHE 40 5.084 -12.150 -1.818 316 HD2 PHE 40 HD1 PHE 40 3.864 -8.092 -2.164 317 HE1 PHE 40 HE2 PHE 40 6.252 -11.628 0.284 318 HE2 PHE 40 HE1 PHE 40 5.031 -7.560 -0.064 319 HZ PHE 40 HZ PHE 40 6.223 -9.323 1.162 320 H SER 41 H SER 41 0.896 -9.352 -4.180 321 HA SER 41 HA SER 41 0.283 -7.974 -1.791 322 HB2 SER 41 HB2 SER 41 -0.959 -7.842 -4.540 323 HB3 SER 41 HB3 SER 41 -1.361 -6.735 -3.228 324 HG SER 41 HG SER 41 0.857 -6.853 -4.847 325 H LYS 42 H LYS 42 -1.396 -10.523 -3.560 326 HA LYS 42 HA LYS 42 -3.836 -10.261 -2.091 327 HB2 LYS 42 HB2 LYS 42 -3.582 -11.400 -4.347 328 HB3 LYS 42 HB3 LYS 42 -2.857 -12.754 -3.488 329 HG2 LYS 42 HG2 LYS 42 -4.932 -12.967 -2.157 330 HG3 LYS 42 HG3 LYS 42 -5.652 -11.687 -3.134 331 HD2 LYS 42 HD2 LYS 42 -6.414 -13.682 -4.104 332 HD3 LYS 42 HD3 LYS 42 -5.092 -13.155 -5.147 333 HE2 LYS 42 HE2 LYS 42 -4.804 -15.481 -4.813 334 HE3 LYS 42 HE3 LYS 42 -3.589 -14.676 -3.824 335 HZ1 LYS 42 HZ1 LYS 42 -6.184 -15.745 -2.840 336 HZ2 LYS 42 HZ2 LYS 42 -5.001 -14.999 -1.882 337 HZ3 LYS 42 HZ3 LYS 42 -4.674 -16.481 -2.632 338 H LYS 43 H LYS 43 -1.003 -12.373 -1.865 339 HA LYS 43 HA LYS 43 -1.841 -13.989 0.256 340 HB2 LYS 43 HB2 LYS 43 0.995 -13.060 -0.203 341 HB3 LYS 43 HB3 LYS 43 0.475 -14.542 0.585 342 HG2 LYS 43 HG2 LYS 43 -0.370 -15.397 -1.520 343 HG3 LYS 43 HG3 LYS 43 0.057 -13.885 -2.323 344 HD2 LYS 43 HD2 LYS 43 2.441 -14.351 -1.533 345 HD3 LYS 43 HD3 LYS 43 1.881 -15.990 -1.198 346 HE2 LYS 43 HE2 LYS 43 1.745 -14.579 -3.860 347 HE3 LYS 43 HE3 LYS 43 2.916 -15.817 -3.412 348 HZ1 LYS 43 HZ1 LYS 43 0.962 -16.587 -4.763 349 HZ2 LYS 43 HZ2 LYS 43 -0.009 -16.301 -3.403 350 HZ3 LYS 43 HZ3 LYS 43 1.237 -17.447 -3.326 351 H CYS 44 H CYS 44 -0.073 -10.923 0.261 352 HA CYS 44 HA CYS 44 0.200 -10.695 3.052 353 HB2 CYS 44 HB2 CYS 44 0.122 -8.546 0.924 354 HB3 CYS 44 HB3 CYS 44 0.645 -8.300 2.587 355 HG CYS 44 HG CYS 44 2.222 -9.968 0.086 356 H SER 45 H SER 45 -2.293 -9.552 0.816 357 HA SER 45 HA SER 45 -3.772 -7.963 2.541 358 HB2 SER 45 HB2 SER 45 -4.197 -8.108 0.123 359 HB3 SER 45 HB3 SER 45 -4.788 -9.758 0.319 360 HG SER 45 HG SER 45 -6.651 -8.797 0.555 361 H GLU 46 H GLU 46 -4.262 -11.410 1.810 362 HA GLU 46 HA GLU 46 -6.378 -11.762 3.647 363 HB2 GLU 46 HB2 GLU 46 -4.499 -13.862 2.553 364 HB3 GLU 46 HB3 GLU 46 -6.125 -14.123 3.177 365 HG2 GLU 46 HG2 GLU 46 -7.056 -12.816 1.354 366 HG3 GLU 46 HG3 GLU 46 -5.434 -12.499 0.737 367 H ARG 47 H ARG 47 -2.903 -12.329 3.872 368 HA ARG 47 HA ARG 47 -2.933 -13.654 6.366 369 HB2 ARG 47 HB2 ARG 47 -1.075 -13.570 4.613 370 HB3 ARG 47 HB3 ARG 47 -0.642 -12.012 5.300 371 HG2 ARG 47 HG2 ARG 47 -0.212 -13.043 7.448 372 HG3 ARG 47 HG3 ARG 47 -0.725 -14.610 6.818 373 HD2 ARG 47 HD2 ARG 47 1.088 -14.440 5.117 374 HD3 ARG 47 HD3 ARG 47 1.646 -12.981 5.932 375 HE ARG 47 HE ARG 47 1.433 -15.447 7.502 376 HH11 ARG 47 HH11 ARG 47 3.431 -13.078 5.877 377 HH12 ARG 47 HH12 ARG 47 4.900 -13.588 6.641 378 HH21 ARG 47 HH21 ARG 47 3.376 -16.153 8.495 379 HH22 ARG 47 HH22 ARG 47 4.874 -15.344 8.128 380 H TRP 48 H TRP 48 -2.451 -10.249 5.490 381 HA TRP 48 HA TRP 48 -1.837 -9.226 8.002 382 HB2 TRP 48 HB2 TRP 48 -1.562 -7.765 6.180 383 HB3 TRP 48 HB3 TRP 48 -3.198 -8.044 5.596 384 HD1 TRP 48 HD1 TRP 48 -5.161 -6.619 6.687 385 HE1 TRP 48 HE1 TRP 48 -5.173 -4.491 8.140 386 HE3 TRP 48 HE3 TRP 48 -0.226 -6.523 8.026 387 HZ2 TRP 48 HZ2 TRP 48 -3.327 -2.974 9.639 388 HZ3 TRP 48 HZ3 TRP 48 0.568 -4.696 9.468 389 HH2 TRP 48 HH2 TRP 48 -0.951 -2.959 10.256 390 H LYS 49 H LYS 49 -5.010 -9.608 6.466 391 HA LYS 49 HA LYS 49 -6.523 -8.330 8.423 392 HB2 LYS 49 HB2 LYS 49 -7.451 -10.669 6.749 393 HB3 LYS 49 HB3 LYS 49 -8.451 -9.413 7.467 394 HG2 LYS 49 HG2 LYS 49 -7.290 -7.758 5.985 395 HG3 LYS 49 HG3 LYS 49 -6.504 -9.124 5.191 396 HD2 LYS 49 HD2 LYS 49 -8.750 -10.053 4.682 397 HD3 LYS 49 HD3 LYS 49 -9.467 -8.590 5.358 398 HE2 LYS 49 HE2 LYS 49 -7.645 -8.778 2.963 399 HE3 LYS 49 HE3 LYS 49 -9.368 -8.407 2.953 400 HZ1 LYS 49 HZ1 LYS 49 -8.645 -6.460 4.472 401 HZ2 LYS 49 HZ2 LYS 49 -8.413 -6.340 2.796 402 HZ3 LYS 49 HZ3 LYS 49 -7.110 -6.732 3.805 403 H THR 50 H THR 50 -5.333 -11.619 8.246 404 HA THR 50 HA THR 50 -6.998 -12.520 10.423 405 HB THR 50 HB THR 50 -5.854 -14.675 10.124 406 HG1 THR 50 HG1 THR 50 -4.044 -13.115 8.831 407 HG21 THR 50 HG21 THR 50 -6.679 -15.130 7.857 408 HG22 THR 50 HG22 THR 50 -6.802 -13.396 7.556 409 HG23 THR 50 HG23 THR 50 -7.823 -14.156 8.779 410 H MET 51 H MET 51 -4.247 -10.694 10.450 411 HA MET 51 HA MET 51 -2.875 -12.095 12.587 412 HB2 MET 51 HB2 MET 51 -2.379 -9.392 11.337 413 HB3 MET 51 HB3 MET 51 -1.412 -10.051 12.648 414 HG2 MET 51 HG2 MET 51 -0.986 -12.038 11.112 415 HG3 MET 51 HG3 MET 51 -1.647 -11.031 9.825 416 HE1 MET 51 HE1 MET 51 0.866 -7.943 10.073 417 HE2 MET 51 HE2 MET 51 -0.626 -8.166 10.988 418 HE3 MET 51 HE3 MET 51 -0.581 -8.547 9.266 419 H SER 52 H SER 52 -2.201 -10.680 14.536 420 HA SER 52 HA SER 52 -4.703 -9.879 15.808 421 HB2 SER 52 HB2 SER 52 -1.948 -10.258 17.006 422 HB3 SER 52 HB3 SER 52 -3.453 -10.043 17.900 423 HG SER 52 HG SER 52 -2.838 -12.209 16.152 424 H ALA 53 H ALA 53 -4.587 -8.005 17.366 425 HA ALA 53 HA ALA 53 -4.030 -5.642 15.942 426 HB1 ALA 53 HB1 ALA 53 -4.634 -4.473 18.008 427 HB2 ALA 53 HB2 ALA 53 -4.562 -5.999 18.890 428 HB3 ALA 53 HB3 ALA 53 -5.777 -5.763 17.633 429 H LYS 54 H LYS 54 -2.221 -7.390 18.402 430 HA LYS 54 HA LYS 54 -0.249 -5.534 19.016 431 HB2 LYS 54 HB2 LYS 54 -0.475 -7.699 20.152 432 HB3 LYS 54 HB3 LYS 54 0.034 -8.531 18.691 433 HG2 LYS 54 HG2 LYS 54 2.216 -7.339 18.854 434 HG3 LYS 54 HG3 LYS 54 1.693 -6.702 20.411 435 HD2 LYS 54 HD2 LYS 54 1.926 -9.631 19.727 436 HD3 LYS 54 HD3 LYS 54 3.130 -8.701 20.618 437 HE2 LYS 54 HE2 LYS 54 0.277 -9.176 21.475 438 HE3 LYS 54 HE3 LYS 54 1.697 -9.993 22.121 439 HZ1 LYS 54 HZ1 LYS 54 1.050 -8.238 23.598 440 HZ2 LYS 54 HZ2 LYS 54 1.067 -7.097 22.344 441 HZ3 LYS 54 HZ3 LYS 54 2.519 -7.805 22.864 442 H GLU 55 H GLU 55 -0.409 -7.827 16.337 443 HA GLU 55 HA GLU 55 2.182 -7.192 15.311 444 HB2 GLU 55 HB2 GLU 55 -0.103 -8.607 13.920 445 HB3 GLU 55 HB3 GLU 55 1.606 -8.696 13.508 446 HG2 GLU 55 HG2 GLU 55 2.108 -9.878 15.508 447 HG3 GLU 55 HG3 GLU 55 0.490 -9.605 16.146 448 H LYS 56 H LYS 56 -1.139 -6.427 14.373 449 HA LYS 56 HA LYS 56 -0.547 -4.864 12.118 450 HB2 LYS 56 HB2 LYS 56 -2.893 -4.757 14.023 451 HB3 LYS 56 HB3 LYS 56 -2.822 -3.881 12.498 452 HG2 LYS 56 HG2 LYS 56 -2.773 -5.913 11.249 453 HG3 LYS 56 HG3 LYS 56 -2.569 -6.871 12.716 454 HD2 LYS 56 HD2 LYS 56 -4.790 -6.196 13.473 455 HD3 LYS 56 HD3 LYS 56 -4.994 -5.214 12.019 456 HE2 LYS 56 HE2 LYS 56 -4.950 -7.152 10.622 457 HE3 LYS 56 HE3 LYS 56 -4.476 -8.181 11.974 458 HZ1 LYS 56 HZ1 LYS 56 -6.814 -8.438 11.471 459 HZ2 LYS 56 HZ2 LYS 56 -7.082 -6.777 11.683 460 HZ3 LYS 56 HZ3 LYS 56 -6.626 -7.740 13.004 461 H GLY 57 H GLY 57 -0.940 -3.993 15.528 462 HA2 GLY 57 HA2 GLY 57 -0.622 -1.203 15.219 463 HA3 GLY 57 HA3 GLY 57 -0.365 -2.112 16.702 464 H LYS 58 H LYS 58 1.677 -3.818 15.503 465 HA LYS 58 HA LYS 58 4.002 -2.330 15.990 466 HB2 LYS 58 HB2 LYS 58 3.980 -4.745 16.178 467 HB3 LYS 58 HB3 LYS 58 3.595 -4.914 14.474 468 HG2 LYS 58 HG2 LYS 58 5.789 -3.899 13.925 469 HG3 LYS 58 HG3 LYS 58 6.169 -3.889 15.648 470 HD2 LYS 58 HD2 LYS 58 7.137 -5.835 14.498 471 HD3 LYS 58 HD3 LYS 58 5.968 -6.309 15.733 472 HE2 LYS 58 HE2 LYS 58 4.285 -6.700 14.059 473 HE3 LYS 58 HE3 LYS 58 5.331 -6.067 12.792 474 HZ1 LYS 58 HZ1 LYS 58 5.344 -8.457 12.746 475 HZ2 LYS 58 HZ2 LYS 58 5.774 -8.540 14.382 476 HZ3 LYS 58 HZ3 LYS 58 6.871 -7.913 13.247 477 H PHE 59 H PHE 59 2.517 -3.362 12.922 478 HA PHE 59 HA PHE 59 4.381 -2.006 11.272 479 HB2 PHE 59 HB2 PHE 59 1.569 -2.968 10.722 480 HB3 PHE 59 HB3 PHE 59 2.613 -2.266 9.491 481 HD1 PHE 59 HD2 PHE 59 4.733 -3.428 8.884 482 HD2 PHE 59 HD1 PHE 59 1.790 -5.217 11.381 483 HE1 PHE 59 HE2 PHE 59 5.726 -5.639 8.465 484 HE2 PHE 59 HE1 PHE 59 2.778 -7.430 10.967 485 HZ PHE 59 HZ PHE 59 4.749 -7.643 9.503 486 H GLU 60 H GLU 60 1.330 -1.107 12.743 487 HA GLU 60 HA GLU 60 0.912 1.335 11.426 488 HB2 GLU 60 HB2 GLU 60 -0.720 0.109 12.917 489 HB3 GLU 60 HB3 GLU 60 0.193 0.713 14.294 490 HG2 GLU 60 HG2 GLU 60 -1.663 2.142 14.018 491 HG3 GLU 60 HG3 GLU 60 -0.249 3.029 13.449 492 H ASP 61 H ASP 61 2.672 0.519 14.375 493 HA ASP 61 HA ASP 61 3.364 3.142 15.127 494 HB2 ASP 61 HB2 ASP 61 3.534 1.257 16.675 495 HB3 ASP 61 HB3 ASP 61 4.794 0.529 15.681 496 H MET 62 H MET 62 5.083 0.735 13.164 497 HA MET 62 HA MET 62 7.379 2.293 12.686 498 HB2 MET 62 HB2 MET 62 6.125 0.117 11.000 499 HB3 MET 62 HB3 MET 62 7.705 0.828 10.682 500 HG2 MET 62 HG2 MET 62 8.409 0.087 12.954 501 HG3 MET 62 HG3 MET 62 6.877 -0.768 13.088 502 HE1 MET 62 HE1 MET 62 6.440 -1.816 10.125 503 HE2 MET 62 HE2 MET 62 6.189 -2.837 11.542 504 HE3 MET 62 HE3 MET 62 7.184 -3.412 10.204 505 H ALA 63 H ALA 63 4.283 2.078 11.030 506 HA ALA 63 HA ALA 63 4.898 3.718 8.833 507 HB1 ALA 63 HB1 ALA 63 2.496 3.959 8.551 508 HB2 ALA 63 HB2 ALA 63 2.226 3.353 10.186 509 HB3 ALA 63 HB3 ALA 63 2.901 2.289 8.953 510 H LYS 64 H LYS 64 3.733 4.482 12.089 511 HA LYS 64 HA LYS 64 3.244 7.218 11.701 512 HB2 LYS 64 HB2 LYS 64 4.250 5.880 14.221 513 HB3 LYS 64 HB3 LYS 64 3.498 7.466 14.125 514 HG2 LYS 64 HG2 LYS 64 1.453 6.309 13.223 515 HG3 LYS 64 HG3 LYS 64 2.226 4.787 13.647 516 HD2 LYS 64 HD2 LYS 64 1.665 7.021 15.597 517 HD3 LYS 64 HD3 LYS 64 0.615 5.626 15.352 518 HE2 LYS 64 HE2 LYS 64 1.866 5.027 17.214 519 HE3 LYS 64 HE3 LYS 64 2.715 4.230 15.893 520 HZ1 LYS 64 HZ1 LYS 64 4.172 5.395 17.518 521 HZ2 LYS 64 HZ2 LYS 64 3.509 6.868 17.005 522 HZ3 LYS 64 HZ3 LYS 64 4.387 5.906 15.918 523 H ALA 65 H ALA 65 6.196 5.465 12.462 524 HA ALA 65 HA ALA 65 7.801 7.751 12.993 525 HB1 ALA 65 HB1 ALA 65 8.385 5.511 13.813 526 HB2 ALA 65 HB2 ALA 65 9.692 6.222 12.867 527 HB3 ALA 65 HB3 ALA 65 8.662 4.983 12.154 528 H ASP 66 H ASP 66 7.110 5.850 10.106 529 HA ASP 66 HA ASP 66 9.050 7.198 8.474 530 HB2 ASP 66 HB2 ASP 66 7.781 4.838 8.249 531 HB3 ASP 66 HB3 ASP 66 6.744 5.816 7.217 532 H LYS 67 H LYS 67 5.612 7.473 9.107 533 HA LYS 67 HA LYS 67 4.869 9.360 7.207 534 HB2 LYS 67 HB2 LYS 67 3.266 8.174 8.610 535 HB3 LYS 67 HB3 LYS 67 3.893 8.958 10.047 536 HG2 LYS 67 HG2 LYS 67 2.809 10.675 7.880 537 HG3 LYS 67 HG3 LYS 67 1.675 9.760 8.872 538 HD2 LYS 67 HD2 LYS 67 2.767 10.749 10.893 539 HD3 LYS 67 HD3 LYS 67 3.720 11.767 9.813 540 HE2 LYS 67 HE2 LYS 67 1.672 12.744 8.915 541 HE3 LYS 67 HE3 LYS 67 0.709 11.714 9.972 542 HZ1 LYS 67 HZ1 LYS 67 0.970 13.966 10.849 543 HZ2 LYS 67 HZ2 LYS 67 2.654 13.770 10.890 544 HZ3 LYS 67 HZ3 LYS 67 1.663 12.813 11.888 545 H ALA 68 H ALA 68 6.216 9.862 10.459 546 HA ALA 68 HA ALA 68 6.157 12.698 10.333 547 HB1 ALA 68 HB1 ALA 68 7.621 12.623 12.288 548 HB2 ALA 68 HB2 ALA 68 7.893 10.900 12.028 549 HB3 ALA 68 HB3 ALA 68 6.284 11.486 12.450 550 H ARG 69 H ARG 69 8.599 10.290 9.499 551 HA ARG 69 HA ARG 69 10.693 12.119 8.952 552 HB2 ARG 69 HB2 ARG 69 10.865 9.593 9.253 553 HB3 ARG 69 HB3 ARG 69 10.289 9.453 7.599 554 HG2 ARG 69 HG2 ARG 69 12.229 10.806 6.859 555 HG3 ARG 69 HG3 ARG 69 12.827 10.791 8.520 556 HD2 ARG 69 HD2 ARG 69 12.488 8.469 6.633 557 HD3 ARG 69 HD3 ARG 69 13.968 9.049 7.397 558 HE ARG 69 HE ARG 69 13.020 8.246 9.532 559 HH11 ARG 69 HH11 ARG 69 11.885 6.942 6.498 560 HH12 ARG 69 HH12 ARG 69 11.163 5.527 7.211 561 HH21 ARG 69 HH21 ARG 69 12.113 6.362 10.498 562 HH22 ARG 69 HH22 ARG 69 11.337 5.182 9.484 563 H TYR 70 H TYR 70 8.096 10.734 7.040 564 HA TYR 70 HA TYR 70 8.744 11.780 4.541 565 HB2 TYR 70 HB2 TYR 70 7.032 10.064 4.907 566 HB3 TYR 70 HB3 TYR 70 6.039 11.224 5.777 567 HD1 TYR 70 HD2 TYR 70 4.834 12.965 4.586 568 HD2 TYR 70 HD1 TYR 70 7.183 10.110 2.500 569 HE1 TYR 70 HE2 TYR 70 3.723 13.593 2.492 570 HE2 TYR 70 HE1 TYR 70 6.079 10.720 0.401 571 HH TYR 70 HH TYR 70 3.922 11.723 -0.313 572 H GLU 71 H GLU 71 6.738 13.111 7.160 573 HA GLU 71 HA GLU 71 5.920 15.456 5.930 574 HB2 GLU 71 HB2 GLU 71 6.465 14.791 8.810 575 HB3 GLU 71 HB3 GLU 71 5.787 16.322 8.308 576 HG2 GLU 71 HG2 GLU 71 3.984 14.934 7.145 577 HG3 GLU 71 HG3 GLU 71 4.587 13.597 8.129 578 H ARG 72 H ARG 72 8.886 14.726 7.661 579 HA ARG 72 HA ARG 72 9.920 17.295 7.903 580 HB2 ARG 72 HB2 ARG 72 10.832 15.500 9.173 581 HB3 ARG 72 HB3 ARG 72 11.160 14.554 7.730 582 HG2 ARG 72 HG2 ARG 72 12.829 16.197 7.066 583 HG3 ARG 72 HG3 ARG 72 12.551 17.080 8.567 584 HD2 ARG 72 HD2 ARG 72 13.625 14.280 8.248 585 HD3 ARG 72 HD3 ARG 72 14.471 15.689 8.888 586 HE ARG 72 HE ARG 72 12.514 15.543 10.635 587 HH11 ARG 72 HH11 ARG 72 14.411 12.926 9.258 588 HH12 ARG 72 HH12 ARG 72 14.211 11.894 10.638 589 HH21 ARG 72 HH21 ARG 72 12.232 14.159 12.439 590 HH22 ARG 72 HH22 ARG 72 12.979 12.583 12.429 591 H GLU 73 H GLU 73 10.360 14.832 5.379 592 HA GLU 73 HA GLU 73 12.026 16.567 3.805 593 HB2 GLU 73 HB2 GLU 73 12.303 14.105 3.807 594 HB3 GLU 73 HB3 GLU 73 10.732 13.950 3.032 595 HG2 GLU 73 HG2 GLU 73 11.511 15.057 1.068 596 HG3 GLU 73 HG3 GLU 73 13.041 15.467 1.846 597 H MET 74 H MET 74 8.660 15.753 3.982 598 HA MET 74 HA MET 74 7.743 16.505 1.474 599 HB2 MET 74 HB2 MET 74 6.325 15.426 3.146 600 HB3 MET 74 HB3 MET 74 6.401 16.856 4.161 601 HG2 MET 74 HG2 MET 74 4.366 17.149 3.198 602 HG3 MET 74 HG3 MET 74 5.375 18.032 2.059 603 HE1 MET 74 HE1 MET 74 6.001 17.210 -0.319 604 HE2 MET 74 HE2 MET 74 5.503 15.675 -1.027 605 HE3 MET 74 HE3 MET 74 6.715 15.700 0.250 606 H LYS 75 H LYS 75 8.516 18.513 4.268 607 HA LYS 75 HA LYS 75 7.475 20.926 3.208 608 HB2 LYS 75 HB2 LYS 75 9.715 20.592 5.214 609 HB3 LYS 75 HB3 LYS 75 8.767 22.046 4.945 610 HG2 LYS 75 HG2 LYS 75 7.787 19.438 6.079 611 HG3 LYS 75 HG3 LYS 75 8.007 20.959 6.941 612 HD2 LYS 75 HD2 LYS 75 6.300 21.968 5.400 613 HD3 LYS 75 HD3 LYS 75 5.991 20.343 4.788 614 HE2 LYS 75 HE2 LYS 75 5.639 21.298 7.627 615 HE3 LYS 75 HE3 LYS 75 4.358 20.912 6.482 616 HZ1 LYS 75 HZ1 LYS 75 5.119 18.605 6.485 617 HZ2 LYS 75 HZ2 LYS 75 4.703 19.111 8.044 618 HZ3 LYS 75 HZ3 LYS 75 6.335 18.992 7.602 619 H THR 76 H THR 76 10.582 19.326 2.985 620 HA THR 76 HA THR 76 11.782 21.549 1.547 621 HB THR 76 HB THR 76 13.810 20.110 1.519 622 HG1 THR 76 HG1 THR 76 12.094 18.174 1.979 623 HG21 THR 76 HG21 THR 76 14.252 20.229 3.914 624 HG22 THR 76 HG22 THR 76 12.526 20.402 4.237 625 HG23 THR 76 HG23 THR 76 13.394 21.670 3.371 626 H TYR 77 H TYR 77 9.619 19.477 0.581 627 HA TYR 77 HA TYR 77 11.006 18.553 -1.828 628 HB2 TYR 77 HB2 TYR 77 9.787 16.887 -0.433 629 HB3 TYR 77 HB3 TYR 77 8.292 17.755 -0.757 630 HD1 TYR 77 HD2 TYR 77 7.305 17.726 -3.018 631 HD2 TYR 77 HD1 TYR 77 10.773 15.451 -2.093 632 HE1 TYR 77 HE2 TYR 77 6.964 16.396 -5.054 633 HE2 TYR 77 HE1 TYR 77 10.443 14.114 -4.127 634 HH TYR 77 HH TYR 77 8.633 13.490 -5.641 635 H ILE 78 H ILE 78 10.590 19.426 -3.746 636 HA ILE 78 HA ILE 78 8.348 21.314 -3.947 637 HB ILE 78 HB ILE 78 10.928 21.236 -5.532 638 HG12 ILE 78 HG12 ILE 78 11.083 23.623 -4.563 639 HG13 ILE 78 HG13 ILE 78 9.850 23.103 -3.421 640 HG21 ILE 78 HG21 ILE 78 10.121 23.252 -6.664 641 HG22 ILE 78 HG22 ILE 78 8.581 23.110 -5.817 642 HG23 ILE 78 HG23 ILE 78 9.070 21.869 -6.973 643 HD11 ILE 78 HD11 ILE 78 12.584 21.886 -3.762 644 HD12 ILE 78 HD12 ILE 78 11.351 21.333 -2.631 645 HD13 ILE 78 HD13 ILE 78 12.058 22.937 -2.447 646 HA PRO 79 HA PRO 79 6.524 18.102 -6.413 647 HB2 PRO 79 HB2 PRO 79 4.610 20.217 -7.171 648 HB3 PRO 79 HB3 PRO 79 4.318 18.677 -6.356 649 HG2 PRO 79 HG2 PRO 79 4.166 20.998 -5.034 650 HG3 PRO 79 HG3 PRO 79 4.817 19.538 -4.267 651 HD2 PRO 79 HD2 PRO 79 6.274 21.885 -5.420 652 HD3 PRO 79 HD3 PRO 79 6.595 20.985 -3.922 653 HA PRO 80 HA PRO 80 8.297 19.401 -10.387 654 HB2 PRO 80 HB2 PRO 80 8.040 16.568 -11.058 655 HB3 PRO 80 HB3 PRO 80 9.499 17.552 -10.931 656 HG2 PRO 80 HG2 PRO 80 8.897 15.599 -9.150 657 HG3 PRO 80 HG3 PRO 80 9.800 17.059 -8.706 658 HD2 PRO 80 HD2 PRO 80 6.910 16.408 -8.269 659 HD3 PRO 80 HD3 PRO 80 8.065 17.206 -7.179 660 H LYS 81 H LYS 81 6.783 20.390 -11.577 661 HA LYS 81 HA LYS 81 4.903 20.839 -12.748 662 HB2 LYS 81 HB2 LYS 81 5.870 19.069 -14.201 663 HB3 LYS 81 HB3 LYS 81 4.915 17.873 -13.337 664 HG2 LYS 81 HG2 LYS 81 3.849 18.443 -15.433 665 HG3 LYS 81 HG3 LYS 81 2.859 18.997 -14.082 666 HD2 LYS 81 HD2 LYS 81 4.133 21.236 -14.404 667 HD3 LYS 81 HD3 LYS 81 4.509 20.591 -16.002 668 HE2 LYS 81 HE2 LYS 81 1.779 21.072 -14.827 669 HE3 LYS 81 HE3 LYS 81 2.531 21.947 -16.158 670 HZ1 LYS 81 HZ1 LYS 81 1.591 19.138 -16.149 671 HZ2 LYS 81 HZ2 LYS 81 2.553 19.781 -17.382 672 HZ3 LYS 81 HZ3 LYS 81 1.011 20.418 -17.090 673 H GLY 82 H GLY 82 4.725 20.198 -9.943 674 HA2 GLY 82 HA2 GLY 82 2.420 18.619 -9.420 675 HA3 GLY 82 HA3 GLY 82 3.189 19.733 -8.297 676 H GLU 83 H GLU 83 0.821 19.367 -10.804 677 HA GLU 83 HA GLU 83 -0.102 22.038 -10.877 678 HB2 GLU 83 HB2 GLU 83 -1.669 19.524 -11.469 679 HB3 GLU 83 HB3 GLU 83 -2.053 21.152 -12.017 680 HG2 GLU 83 HG2 GLU 83 0.025 21.181 -13.321 681 HG3 GLU 83 HG3 GLU 83 0.353 19.526 -12.807 682 H LEU 14 H LEU 14 -31.810 13.461 12.583 683 HA LEU 14 HA LEU 14 -33.714 12.359 10.884 684 HB2 LEU 14 HB2 LEU 14 -32.815 10.241 10.244 685 HB3 LEU 14 HB3 LEU 14 -31.734 11.487 9.661 686 HG LEU 14 HG LEU 14 -31.213 9.885 12.168 687 HD11 LEU 14 HD11 LEU 14 -29.656 8.574 10.821 688 HD12 LEU 14 HD12 LEU 14 -30.185 9.428 9.371 689 HD13 LEU 14 HD13 LEU 14 -31.314 8.395 10.247 690 HD21 LEU 14 HD21 LEU 14 -29.402 11.581 10.448 691 HD22 LEU 14 HD22 LEU 14 -28.919 10.665 11.878 692 HD23 LEU 14 HD23 LEU 14 -30.032 12.024 12.036 693 H SER 15 H SER 15 -34.468 10.135 11.779 694 HA SER 15 HA SER 15 -34.391 10.371 14.708 695 HB2 SER 15 HB2 SER 15 -36.394 8.953 12.933 696 HB3 SER 15 HB3 SER 15 -36.514 9.157 14.683 697 HG SER 15 HG SER 15 -36.427 11.256 12.766 698 H GLN 16 H GLN 16 -32.917 8.650 12.361 699 HA GLN 16 HA GLN 16 -33.056 6.054 13.660 700 HB2 GLN 16 HB2 GLN 16 -31.609 6.975 11.173 701 HB3 GLN 16 HB3 GLN 16 -31.572 5.328 11.787 702 HG2 GLN 16 HG2 GLN 16 -33.970 5.134 11.470 703 HG3 GLN 16 HG3 GLN 16 -34.040 6.804 10.904 704 HE21 GLN 16 HE21 GLN 16 -34.727 4.250 9.572 705 HE22 GLN 16 HE22 GLN 16 -33.804 4.248 8.102 706 H GLU 17 H GLU 17 -31.968 6.162 15.544 707 HA GLU 17 HA GLU 17 -29.330 7.385 15.658 708 HB2 GLU 17 HB2 GLU 17 -30.910 5.983 17.821 709 HB3 GLU 17 HB3 GLU 17 -29.467 6.962 18.054 710 HG2 GLU 17 HG2 GLU 17 -30.641 8.939 17.341 711 HG3 GLU 17 HG3 GLU 17 -32.073 7.983 16.950 712 H THR 18 H THR 18 -30.830 4.213 16.096 713 HA THR 18 HA THR 18 -28.171 2.961 16.017 714 HB THR 18 HB THR 18 -30.765 1.528 16.548 715 HG1 THR 18 HG1 THR 18 -29.267 3.216 18.268 716 HG21 THR 18 HG21 THR 18 -28.820 0.125 16.191 717 HG22 THR 18 HG22 THR 18 -29.296 0.059 17.888 718 HG23 THR 18 HG23 THR 18 -27.909 1.031 17.397 719 H PHE 19 H PHE 19 -31.052 3.417 14.171 720 HA PHE 19 HA PHE 19 -31.051 1.022 12.691 721 HB2 PHE 19 HB2 PHE 19 -32.283 3.704 12.057 722 HB3 PHE 19 HB3 PHE 19 -32.619 2.216 11.177 723 HD1 PHE 19 HD2 PHE 19 -33.777 0.352 12.307 724 HD2 PHE 19 HD1 PHE 19 -33.297 4.157 14.156 725 HE1 PHE 19 HE2 PHE 19 -35.553 -0.208 13.916 726 HE2 PHE 19 HE1 PHE 19 -35.072 3.602 15.765 727 HZ PHE 19 HZ PHE 19 -36.203 1.420 15.647 728 H SER 20 H SER 20 -29.361 4.050 12.167 729 HA SER 20 HA SER 20 -28.729 3.402 9.424 730 HB2 SER 20 HB2 SER 20 -29.079 5.743 10.181 731 HB3 SER 20 HB3 SER 20 -27.654 5.605 11.204 732 HG SER 20 HG SER 20 -27.856 5.874 8.436 733 H ASP 21 H ASP 21 -27.670 2.301 12.328 734 HA ASP 21 HA ASP 21 -24.865 1.995 11.535 735 HB2 ASP 21 HB2 ASP 21 -25.457 2.829 13.829 736 HB3 ASP 21 HB3 ASP 21 -26.189 1.264 14.156 737 H LEU 22 H LEU 22 -27.802 0.343 11.545 738 HA LEU 22 HA LEU 22 -27.143 -2.233 12.375 739 HB2 LEU 22 HB2 LEU 22 -29.182 -1.443 10.303 740 HB3 LEU 22 HB3 LEU 22 -29.154 -2.946 11.202 741 HG LEU 22 HG LEU 22 -29.602 -0.205 12.381 742 HD11 LEU 22 HD11 LEU 22 -31.504 -2.499 11.933 743 HD12 LEU 22 HD12 LEU 22 -31.473 -0.985 11.026 744 HD13 LEU 22 HD13 LEU 22 -31.883 -0.978 12.741 745 HD21 LEU 22 HD21 LEU 22 -29.661 -2.934 13.659 746 HD22 LEU 22 HD22 LEU 22 -30.149 -1.430 14.438 747 HD23 LEU 22 HD23 LEU 22 -28.470 -1.665 13.952 748 H TRP 23 H TRP 23 -26.810 -0.746 9.202 749 HA TRP 23 HA TRP 23 -26.319 -3.278 7.904 750 HB2 TRP 23 HB2 TRP 23 -26.133 -1.992 5.863 751 HB3 TRP 23 HB3 TRP 23 -27.529 -1.425 6.773 752 HD1 TRP 23 HD1 TRP 23 -27.269 0.992 8.011 753 HE1 TRP 23 HE1 TRP 23 -25.795 3.020 7.416 754 HE3 TRP 23 HE3 TRP 23 -23.958 -1.307 4.867 755 HZ2 TRP 23 HZ2 TRP 23 -23.525 3.564 5.818 756 HZ3 TRP 23 HZ3 TRP 23 -22.167 0.033 3.848 757 HH2 TRP 23 HH2 TRP 23 -21.957 2.419 4.315 758 H LYS 24 H LYS 24 -24.417 -1.168 9.687 759 HA LYS 24 HA LYS 24 -22.051 -1.352 8.036 760 HB2 LYS 24 HB2 LYS 24 -22.552 -0.117 10.736 761 HB3 LYS 24 HB3 LYS 24 -20.966 -0.150 9.973 762 HG2 LYS 24 HG2 LYS 24 -21.993 1.023 8.009 763 HG3 LYS 24 HG3 LYS 24 -23.454 1.213 8.976 764 HD2 LYS 24 HD2 LYS 24 -22.091 3.223 9.064 765 HD3 LYS 24 HD3 LYS 24 -22.179 2.459 10.651 766 HE2 LYS 24 HE2 LYS 24 -19.908 3.254 10.084 767 HE3 LYS 24 HE3 LYS 24 -19.978 1.519 10.377 768 HZ1 LYS 24 HZ1 LYS 24 -20.015 2.757 7.672 769 HZ2 LYS 24 HZ2 LYS 24 -19.887 1.098 8.036 770 HZ3 LYS 24 HZ3 LYS 24 -18.627 2.153 8.431 771 H LEU 25 H LEU 25 -23.313 -3.764 9.241 772 HA LEU 25 HA LEU 25 -21.162 -4.818 10.887 773 HB2 LEU 25 HB2 LEU 25 -23.605 -6.178 9.731 774 HB3 LEU 25 HB3 LEU 25 -22.483 -6.905 10.866 775 HG LEU 25 HG LEU 25 -24.275 -4.543 11.420 776 HD11 LEU 25 HD11 LEU 25 -25.512 -6.614 11.281 777 HD12 LEU 25 HD12 LEU 25 -25.396 -6.094 12.962 778 HD13 LEU 25 HD13 LEU 25 -24.369 -7.399 12.369 779 HD21 LEU 25 HD21 LEU 25 -22.373 -6.016 13.241 780 HD22 LEU 25 HD22 LEU 25 -23.496 -4.747 13.728 781 HD23 LEU 25 HD23 LEU 25 -22.165 -4.373 12.635 782 H LEU 26 H LEU 26 -21.320 -4.025 7.830 783 HA LEU 26 HA LEU 26 -20.400 -6.403 6.510 784 HB2 LEU 26 HB2 LEU 26 -20.282 -3.495 5.675 785 HB3 LEU 26 HB3 LEU 26 -19.939 -4.861 4.631 786 HG LEU 26 HG LEU 26 -22.619 -4.272 5.895 787 HD11 LEU 26 HD11 LEU 26 -21.673 -3.924 3.053 788 HD12 LEU 26 HD12 LEU 26 -22.034 -2.627 4.194 789 HD13 LEU 26 HD13 LEU 26 -23.324 -3.691 3.629 790 HD21 LEU 26 HD21 LEU 26 -21.814 -6.337 3.847 791 HD22 LEU 26 HD22 LEU 26 -23.451 -6.034 4.430 792 HD23 LEU 26 HD23 LEU 26 -22.226 -6.661 5.531 793 HA PRO 27 HA PRO 27 -16.074 -6.064 7.439 794 HB2 PRO 27 HB2 PRO 27 -14.916 -6.653 5.031 795 HB3 PRO 27 HB3 PRO 27 -15.600 -7.869 6.113 796 HG2 PRO 27 HG2 PRO 27 -16.789 -6.620 3.674 797 HG3 PRO 27 HG3 PRO 27 -16.863 -8.305 4.219 798 HD2 PRO 27 HD2 PRO 27 -18.917 -6.571 4.544 799 HD3 PRO 27 HD3 PRO 27 -18.580 -7.881 5.694 800 H GLU 28 H GLU 28 -15.911 -3.875 7.861 801 HA GLU 28 HA GLU 28 -14.858 -2.246 5.647 802 HB2 GLU 28 HB2 GLU 28 -16.563 -1.133 7.880 803 HB3 GLU 28 HB3 GLU 28 -15.981 -0.284 6.456 804 HG2 GLU 28 HG2 GLU 28 -17.456 -1.575 5.041 805 HG3 GLU 28 HG3 GLU 28 -17.973 -2.544 6.422 806 H ASN 29 H ASN 29 -13.527 -0.438 6.399 807 HA ASN 29 HA ASN 29 -12.193 -0.966 8.966 808 HB2 ASN 29 HB2 ASN 29 -10.353 0.404 8.124 809 HB3 ASN 29 HB3 ASN 29 -10.724 -0.872 6.969 810 HD21 ASN 29 HD21 ASN 29 -9.449 1.809 6.726 811 HD22 ASN 29 HD22 ASN 29 -10.314 2.576 5.438 812 H ASN 30 H ASN 30 -14.782 0.411 8.288 813 HA ASN 30 HA ASN 30 -16.022 2.112 9.206 814 HB2 ASN 30 HB2 ASN 30 -14.218 2.555 10.919 815 HB3 ASN 30 HB3 ASN 30 -13.477 3.655 9.760 816 HD21 ASN 30 HD21 ASN 30 -14.321 5.679 9.501 817 HD22 ASN 30 HD22 ASN 30 -15.645 6.292 10.423 818 H VAL 31 H VAL 31 -13.992 1.928 6.709 819 HA VAL 31 HA VAL 31 -13.959 2.757 4.616 820 HB VAL 31 HB VAL 31 -16.576 4.111 5.283 821 HG11 VAL 31 HG11 VAL 31 -17.011 3.891 2.882 822 HG12 VAL 31 HG12 VAL 31 -15.413 3.180 2.658 823 HG13 VAL 31 HG13 VAL 31 -15.567 4.854 3.189 824 HG21 VAL 31 HG21 VAL 31 -17.667 2.086 4.435 825 HG22 VAL 31 HG22 VAL 31 -16.689 1.741 5.861 826 HG23 VAL 31 HG23 VAL 31 -16.091 1.314 4.260 827 H LEU 32 H LEU 32 -12.156 3.995 5.623 828 HA LEU 32 HA LEU 32 -12.623 6.876 5.223 829 HB2 LEU 32 HB2 LEU 32 -10.588 5.565 7.028 830 HB3 LEU 32 HB3 LEU 32 -10.750 7.289 6.765 831 HG LEU 32 HG LEU 32 -12.826 5.522 8.062 832 HD11 LEU 32 HD11 LEU 32 -12.216 6.688 10.115 833 HD12 LEU 32 HD12 LEU 32 -10.945 7.554 9.249 834 HD13 LEU 32 HD13 LEU 32 -10.844 5.804 9.447 835 HD21 LEU 32 HD21 LEU 32 -13.943 7.622 8.619 836 HD22 LEU 32 HD22 LEU 32 -13.821 7.406 6.874 837 HD23 LEU 32 HD23 LEU 32 -12.729 8.515 7.702 838 H SER 33 H SER 33 -11.527 4.306 3.730 839 HA SER 33 HA SER 33 -9.230 5.668 2.512 840 HB2 SER 33 HB2 SER 33 -9.378 2.702 3.105 841 HB3 SER 33 HB3 SER 33 -8.004 3.577 2.433 842 HG SER 33 HG SER 33 -7.417 4.071 4.385 843 HA PRO 34 HA PRO 34 -11.446 4.605 -1.251 844 HB2 PRO 34 HB2 PRO 34 -9.400 5.139 -2.984 845 HB3 PRO 34 HB3 PRO 34 -10.442 6.386 -2.291 846 HG2 PRO 34 HG2 PRO 34 -7.690 5.551 -1.485 847 HG3 PRO 34 HG3 PRO 34 -8.390 7.178 -1.567 848 HD2 PRO 34 HD2 PRO 34 -8.092 5.819 0.763 849 HD3 PRO 34 HD3 PRO 34 -9.405 6.980 0.488 850 H LEU 35 H LEU 35 -11.765 2.492 -1.541 851 HA LEU 35 HA LEU 35 -9.513 0.644 -1.504 852 HB2 LEU 35 HB2 LEU 35 -11.600 0.219 -0.191 853 HB3 LEU 35 HB3 LEU 35 -12.468 0.061 -1.705 854 HG LEU 35 HG LEU 35 -10.932 -1.845 -2.288 855 HD11 LEU 35 HD11 LEU 35 -9.739 -2.929 -0.449 856 HD12 LEU 35 HD12 LEU 35 -10.154 -1.584 0.613 857 HD13 LEU 35 HD13 LEU 35 -9.104 -1.318 -0.779 858 HD21 LEU 35 HD21 LEU 35 -13.198 -2.217 -1.483 859 HD22 LEU 35 HD22 LEU 35 -12.629 -2.147 0.184 860 HD23 LEU 35 HD23 LEU 35 -12.101 -3.456 -0.875 861 HA PRO 36 HA PRO 36 -9.352 0.713 -6.003 862 HB2 PRO 36 HB2 PRO 36 -7.656 -1.480 -6.121 863 HB3 PRO 36 HB3 PRO 36 -7.131 0.198 -5.953 864 HG2 PRO 36 HG2 PRO 36 -7.489 -1.897 -3.848 865 HG3 PRO 36 HG3 PRO 36 -6.205 -0.684 -4.019 866 HD2 PRO 36 HD2 PRO 36 -8.184 -0.351 -2.258 867 HD3 PRO 36 HD3 PRO 36 -7.541 1.026 -3.179 868 H SER 37 H SER 37 -10.754 -0.199 -7.341 869 HA SER 37 HA SER 37 -11.955 -2.764 -6.533 870 HB2 SER 37 HB2 SER 37 -13.147 -0.626 -8.319 871 HB3 SER 37 HB3 SER 37 -13.962 -2.065 -7.707 872 HG SER 37 HG SER 37 -13.496 0.345 -6.483 873 H GLN 38 H GLN 38 -9.843 -1.430 -8.745 874 HA GLN 38 HA GLN 38 -10.732 -3.091 -10.970 875 HB2 GLN 38 HB2 GLN 38 -9.118 -1.895 -12.317 876 HB3 GLN 38 HB3 GLN 38 -10.099 -0.757 -11.408 877 HG2 GLN 38 HG2 GLN 38 -8.280 -0.476 -9.801 878 HG3 GLN 38 HG3 GLN 38 -7.293 -1.609 -10.727 879 HE21 GLN 38 HE21 GLN 38 -8.623 1.585 -10.586 880 HE22 GLN 38 HE22 GLN 38 -7.734 2.238 -11.923 881 H ALA 39 H ALA 39 -8.356 -3.149 -8.465 882 HA ALA 39 HA ALA 39 -7.396 -5.712 -9.348 883 HB1 ALA 39 HB1 ALA 39 -5.451 -3.405 -9.286 884 HB2 ALA 39 HB2 ALA 39 -6.021 -4.232 -10.736 885 HB3 ALA 39 HB3 ALA 39 -5.044 -5.100 -9.551 886 H MET 40 H MET 40 -6.428 -6.886 -7.694 887 HA MET 40 HA MET 40 -6.623 -5.655 -5.057 888 HB2 MET 40 HB2 MET 40 -6.597 -7.830 -4.121 889 HB3 MET 40 HB3 MET 40 -7.627 -7.930 -5.539 890 HG2 MET 40 HG2 MET 40 -4.745 -8.791 -5.448 891 HG3 MET 40 HG3 MET 40 -6.127 -9.867 -5.247 892 HE1 MET 40 HE1 MET 40 -5.458 -11.481 -7.149 893 HE2 MET 40 HE2 MET 40 -3.959 -10.570 -7.351 894 HE3 MET 40 HE3 MET 40 -4.950 -10.966 -8.757 895 H ASP 41 H ASP 41 -4.302 -6.257 -7.388 896 HA ASP 41 HA ASP 41 -2.086 -6.468 -5.525 897 HB2 ASP 41 HB2 ASP 41 -0.691 -6.318 -7.645 898 HB3 ASP 41 HB3 ASP 41 -1.745 -7.719 -7.507 899 H ASP 42 H ASP 42 -4.033 -4.078 -6.409 900 HA ASP 42 HA ASP 42 -1.960 -1.999 -6.190 901 HB2 ASP 42 HB2 ASP 42 -3.313 -1.821 -8.215 902 HB3 ASP 42 HB3 ASP 42 -4.795 -1.866 -7.264 903 H LEU 43 H LEU 43 -3.657 -3.799 -4.287 904 HA LEU 43 HA LEU 43 -5.392 -2.176 -2.787 905 HB2 LEU 43 HB2 LEU 43 -4.896 -4.803 -2.876 906 HB3 LEU 43 HB3 LEU 43 -3.936 -4.409 -1.465 907 HG LEU 43 HG LEU 43 -6.901 -3.902 -1.762 908 HD11 LEU 43 HD11 LEU 43 -5.391 -5.960 -0.153 909 HD12 LEU 43 HD12 LEU 43 -6.384 -6.273 -1.576 910 HD13 LEU 43 HD13 LEU 43 -7.131 -5.684 -0.091 911 HD21 LEU 43 HD21 LEU 43 -5.120 -3.590 0.648 912 HD22 LEU 43 HD22 LEU 43 -6.864 -3.324 0.588 913 HD23 LEU 43 HD23 LEU 43 -5.779 -2.262 -0.310 914 H MET 44 H MET 44 -2.038 -3.191 -2.095 915 HA MET 44 HA MET 44 -1.955 -1.248 0.093 916 HB2 MET 44 HB2 MET 44 -0.525 -3.774 -0.504 917 HB3 MET 44 HB3 MET 44 0.363 -2.539 0.377 918 HG2 MET 44 HG2 MET 44 -0.652 -4.053 1.923 919 HG3 MET 44 HG3 MET 44 -1.421 -2.473 2.053 920 HE1 MET 44 HE1 MET 44 -1.893 -6.233 1.553 921 HE2 MET 44 HE2 MET 44 -1.799 -5.770 -0.148 922 HE3 MET 44 HE3 MET 44 -3.320 -6.363 0.524 923 H LEU 45 H LEU 45 0.490 -2.464 -2.173 924 HA LEU 45 HA LEU 45 1.658 0.203 -2.161 925 HB2 LEU 45 HB2 LEU 45 2.775 -2.431 -3.154 926 HB3 LEU 45 HB3 LEU 45 3.630 -0.899 -3.209 927 HG LEU 45 HG LEU 45 2.824 -2.457 -0.749 928 HD11 LEU 45 HD11 LEU 45 4.888 -3.208 -1.825 929 HD12 LEU 45 HD12 LEU 45 5.203 -2.455 -0.261 930 HD13 LEU 45 HD13 LEU 45 5.521 -1.560 -1.743 931 HD21 LEU 45 HD21 LEU 45 3.720 -0.657 0.580 932 HD22 LEU 45 HD22 LEU 45 2.403 -0.054 -0.428 933 HD23 LEU 45 HD23 LEU 45 4.077 0.276 -0.874 934 H SER 46 H SER 46 0.559 1.423 -3.542 935 HA SER 46 HA SER 46 -0.383 0.478 -6.076 936 HB2 SER 46 HB2 SER 46 -1.487 2.272 -4.651 937 HB3 SER 46 HB3 SER 46 -0.190 3.355 -5.155 938 HG SER 46 HG SER 46 -1.943 1.975 -6.938 939 HA PRO 47 HA PRO 47 3.281 0.558 -8.304 940 HB2 PRO 47 HB2 PRO 47 1.745 1.494 -10.654 941 HB3 PRO 47 HB3 PRO 47 2.687 0.017 -10.434 942 HG2 PRO 47 HG2 PRO 47 0.009 -0.013 -10.449 943 HG3 PRO 47 HG3 PRO 47 0.938 -1.097 -9.402 944 HD2 PRO 47 HD2 PRO 47 -0.538 1.395 -8.717 945 HD3 PRO 47 HD3 PRO 47 -0.341 -0.099 -7.778 946 H ASP 48 H ASP 48 1.288 3.448 -8.741 947 HA ASP 48 HA ASP 48 2.938 5.002 -10.299 948 HB2 ASP 48 HB2 ASP 48 1.146 5.891 -8.033 949 HB3 ASP 48 HB3 ASP 48 1.860 6.976 -9.220 950 H ASP 49 H ASP 49 2.968 4.789 -6.756 951 HA ASP 49 HA ASP 49 5.302 6.547 -6.671 952 HB2 ASP 49 HB2 ASP 49 3.714 5.324 -4.401 953 HB3 ASP 49 HB3 ASP 49 5.003 6.507 -4.223 954 H ILE 50 H ILE 50 4.423 3.208 -5.994 955 HA ILE 50 HA ILE 50 6.612 2.673 -4.292 956 HB ILE 50 HB ILE 50 6.022 0.330 -4.462 957 HG12 ILE 50 HG12 ILE 50 3.965 1.147 -6.523 958 HG13 ILE 50 HG13 ILE 50 5.512 0.417 -6.936 959 HG21 ILE 50 HG21 ILE 50 3.643 2.158 -4.279 960 HG22 ILE 50 HG22 ILE 50 4.757 1.747 -2.974 961 HG23 ILE 50 HG23 ILE 50 3.714 0.505 -3.668 962 HD11 ILE 50 HD11 ILE 50 4.900 -1.587 -5.707 963 HD12 ILE 50 HD12 ILE 50 3.702 -1.207 -6.945 964 HD13 ILE 50 HD13 ILE 50 3.365 -0.848 -5.251 965 H GLU 51 H GLU 51 6.307 2.456 -7.782 966 HA GLU 51 HA GLU 51 7.993 0.288 -8.174 967 HB2 GLU 51 HB2 GLU 51 7.118 2.533 -9.934 968 HB3 GLU 51 HB3 GLU 51 8.324 1.392 -10.505 969 HG2 GLU 51 HG2 GLU 51 6.716 -0.448 -9.982 970 HG3 GLU 51 HG3 GLU 51 5.508 0.792 -9.649 971 H GLN 52 H GLN 52 8.836 3.487 -7.318 972 HA GLN 52 HA GLN 52 11.456 3.621 -8.343 973 HB2 GLN 52 HB2 GLN 52 10.358 4.801 -5.785 974 HB3 GLN 52 HB3 GLN 52 11.863 5.269 -6.562 975 HG2 GLN 52 HG2 GLN 52 10.634 6.079 -8.494 976 HG3 GLN 52 HG3 GLN 52 9.114 5.581 -7.744 977 HE21 GLN 52 HE21 GLN 52 8.309 6.730 -6.019 978 HE22 GLN 52 HE22 GLN 52 8.890 8.302 -5.593 979 H TRP 53 H TRP 53 10.110 2.113 -5.461 980 HA TRP 53 HA TRP 53 12.799 1.159 -4.768 981 HB2 TRP 53 HB2 TRP 53 11.756 1.112 -2.352 982 HB3 TRP 53 HB3 TRP 53 12.480 2.575 -3.012 983 HD1 TRP 53 HD1 TRP 53 10.816 4.546 -3.729 984 HE1 TRP 53 HE1 TRP 53 8.421 5.095 -2.997 985 HE3 TRP 53 HE3 TRP 53 9.562 0.057 -1.641 986 HZ2 TRP 53 HZ2 TRP 53 6.274 3.804 -1.696 987 HZ3 TRP 53 HZ3 TRP 53 7.317 -0.203 -0.670 988 HH2 TRP 53 HH2 TRP 53 5.709 1.633 -0.696 989 H PHE 54 H PHE 54 9.420 0.354 -5.060 990 HA PHE 54 HA PHE 54 9.325 -2.041 -3.641 991 HB2 PHE 54 HB2 PHE 54 7.330 -0.941 -4.574 992 HB3 PHE 54 HB3 PHE 54 7.868 -1.331 -6.202 993 HD1 PHE 54 HD2 PHE 54 8.223 -3.904 -6.665 994 HD2 PHE 54 HD1 PHE 54 5.774 -2.339 -3.535 995 HE1 PHE 54 HE2 PHE 54 6.960 -6.012 -6.594 996 HE2 PHE 54 HE1 PHE 54 4.516 -4.457 -3.475 997 HZ PHE 54 HZ PHE 54 5.111 -6.291 -4.999 998 H THR 55 H THR 55 10.381 -1.432 -6.970 999 HA THR 55 HA THR 55 11.868 -3.938 -6.861 1000 HB THR 55 HB THR 55 9.768 -4.470 -8.066 1001 HG1 THR 55 HG1 THR 55 10.834 -5.338 -9.949 1002 HG21 THR 55 HG21 THR 55 10.715 -2.386 -10.038 1003 HG22 THR 55 HG22 THR 55 9.280 -2.285 -9.019 1004 HG23 THR 55 HG23 THR 55 9.373 -3.501 -10.293 1005 H GLU 56 H GLU 56 13.717 -3.958 -8.195 1006 HA GLU 56 HA GLU 56 14.475 -1.341 -9.313 1007 HB2 GLU 56 HB2 GLU 56 15.650 -1.810 -7.176 1008 HB3 GLU 56 HB3 GLU 56 16.276 -3.299 -7.867 1009 HG2 GLU 56 HG2 GLU 56 17.981 -1.619 -7.921 1010 HG3 GLU 56 HG3 GLU 56 17.469 -1.969 -9.571 1011 H ASP 57 H ASP 57 13.943 -1.935 -11.395 1012 HA ASP 57 HA ASP 57 15.353 -4.273 -12.495 1013 HB2 ASP 57 HB2 ASP 57 13.551 -4.457 -14.126 1014 HB3 ASP 57 HB3 ASP 57 12.891 -4.476 -12.494 1015 HA PRO 58 HA PRO 58 17.418 -1.554 -15.323 1016 HB2 PRO 58 HB2 PRO 58 17.486 -3.664 -17.329 1017 HB3 PRO 58 HB3 PRO 58 18.811 -3.008 -16.365 1018 HG2 PRO 58 HG2 PRO 58 17.836 -5.520 -16.025 1019 HG3 PRO 58 HG3 PRO 58 18.555 -4.573 -14.711 1020 HD2 PRO 58 HD2 PRO 58 15.666 -5.050 -15.344 1021 HD3 PRO 58 HD3 PRO 58 16.486 -5.016 -13.766 1022 H GLY 59 H GLY 59 14.535 -3.247 -16.182 1023 HA2 GLY 59 HA2 GLY 59 13.237 -1.275 -17.529 1024 HA3 GLY 59 HA3 GLY 59 14.203 -2.061 -18.773 1025 HA PRO 60 HA PRO 60 10.143 -4.417 -17.728 1026 HB2 PRO 60 HB2 PRO 60 8.689 -3.630 -19.915 1027 HB3 PRO 60 HB3 PRO 60 8.567 -2.875 -18.323 1028 HG2 PRO 60 HG2 PRO 60 10.083 -1.982 -20.737 1029 HG3 PRO 60 HG3 PRO 60 9.159 -1.017 -19.571 1030 HD2 PRO 60 HD2 PRO 60 11.856 -1.167 -19.518 1031 HD3 PRO 60 HD3 PRO 60 10.884 -0.980 -18.044 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 16.291 6.801 -16.489 2 H2 GLY 1 HT2 GLY 1 15.081 6.311 -17.573 3 H3 GLY 1 HT3 GLY 1 16.287 5.216 -17.098 4 HA2 GLY 1 HA3 GLY 1 14.239 4.728 -15.948 5 HA3 GLY 1 HA2 GLY 1 15.479 5.269 -14.824 6 H LYS 2 H LYS 2 13.858 5.870 -13.331 7 HA LYS 2 HA LYS 2 12.893 8.563 -13.726 8 HB2 LYS 2 HB2 LYS 2 10.547 8.090 -13.289 9 HB3 LYS 2 HB3 LYS 2 11.066 7.223 -14.725 10 HG2 LYS 2 HG2 LYS 2 11.002 5.890 -12.037 11 HG3 LYS 2 HG3 LYS 2 9.563 6.007 -13.046 12 HD2 LYS 2 HD2 LYS 2 10.678 4.806 -14.831 13 HD3 LYS 2 HD3 LYS 2 12.176 4.765 -13.899 14 HE2 LYS 2 HE2 LYS 2 11.181 3.343 -12.243 15 HE3 LYS 2 HE3 LYS 2 9.587 3.516 -12.980 16 HZ1 LYS 2 HZ1 LYS 2 10.326 2.325 -14.899 17 HZ2 LYS 2 HZ2 LYS 2 10.709 1.398 -13.531 18 HZ3 LYS 2 HZ3 LYS 2 11.922 2.272 -14.329 19 H GLY 3 H GLY 3 11.947 9.445 -11.721 20 HA2 GLY 3 HA2 GLY 3 11.360 9.193 -9.423 21 HA3 GLY 3 HA3 GLY 3 12.406 7.787 -9.338 22 H ASP 4 H ASP 4 12.583 9.556 -7.381 23 HA ASP 4 HA ASP 4 15.211 10.792 -7.816 24 HB2 ASP 4 HB2 ASP 4 12.875 12.044 -6.341 25 HB3 ASP 4 HB3 ASP 4 14.522 12.656 -6.291 26 HA PRO 5 HA PRO 5 16.039 8.564 -4.050 27 HB2 PRO 5 HB2 PRO 5 18.395 9.667 -3.368 28 HB3 PRO 5 HB3 PRO 5 18.241 8.606 -4.775 29 HG2 PRO 5 HG2 PRO 5 18.336 11.596 -4.657 30 HG3 PRO 5 HG3 PRO 5 19.139 10.497 -5.792 31 HD2 PRO 5 HD2 PRO 5 16.827 11.846 -6.362 32 HD3 PRO 5 HD3 PRO 5 17.274 10.299 -7.109 33 H LYS 6 H LYS 6 14.749 11.429 -4.172 34 HA LYS 6 HA LYS 6 15.046 12.015 -1.304 35 HB2 LYS 6 HB2 LYS 6 14.533 14.050 -3.486 36 HB3 LYS 6 HB3 LYS 6 14.825 14.379 -1.784 37 HG2 LYS 6 HG2 LYS 6 16.845 13.116 -3.623 38 HG3 LYS 6 HG3 LYS 6 16.757 14.844 -3.281 39 HD2 LYS 6 HD2 LYS 6 17.082 12.737 -1.152 40 HD3 LYS 6 HD3 LYS 6 18.437 13.569 -1.918 41 HE2 LYS 6 HE2 LYS 6 16.189 14.908 -0.417 42 HE3 LYS 6 HE3 LYS 6 17.791 14.580 0.239 43 HZ1 LYS 6 HZ1 LYS 6 18.708 15.975 -1.570 44 HZ2 LYS 6 HZ2 LYS 6 17.718 16.832 -0.492 45 HZ3 LYS 6 HZ3 LYS 6 17.126 16.395 -2.021 46 H LYS 7 H LYS 7 13.151 10.408 -2.958 47 HA LYS 7 HA LYS 7 10.671 11.940 -2.690 48 HB2 LYS 7 HB2 LYS 7 11.527 9.656 -4.384 49 HB3 LYS 7 HB3 LYS 7 9.833 9.734 -3.925 50 HG2 LYS 7 HG2 LYS 7 9.612 11.910 -4.936 51 HG3 LYS 7 HG3 LYS 7 11.341 11.949 -5.293 52 HD2 LYS 7 HD2 LYS 7 11.140 10.157 -6.848 53 HD3 LYS 7 HD3 LYS 7 9.481 9.829 -6.346 54 HE2 LYS 7 HE2 LYS 7 10.271 12.478 -7.500 55 HE3 LYS 7 HE3 LYS 7 9.867 11.110 -8.542 56 HZ1 LYS 7 HZ1 LYS 7 7.710 10.977 -7.350 57 HZ2 LYS 7 HZ2 LYS 7 7.916 12.417 -8.212 58 HZ3 LYS 7 HZ3 LYS 7 8.107 12.406 -6.529 59 HA PRO 8 HA PRO 8 9.574 9.335 0.800 60 HB2 PRO 8 HB2 PRO 8 7.204 11.011 0.927 61 HB3 PRO 8 HB3 PRO 8 8.525 10.886 2.089 62 HG2 PRO 8 HG2 PRO 8 8.086 13.110 0.590 63 HG3 PRO 8 HG3 PRO 8 9.698 12.624 1.142 64 HD2 PRO 8 HD2 PRO 8 8.418 12.236 -1.538 65 HD3 PRO 8 HD3 PRO 8 10.082 12.723 -1.141 66 H ARG 9 H ARG 9 8.450 7.478 0.592 67 HA ARG 9 HA ARG 9 7.019 6.900 -1.769 68 HB2 ARG 9 HB2 ARG 9 7.015 4.730 -1.058 69 HB3 ARG 9 HB3 ARG 9 8.266 5.353 0.005 70 HG2 ARG 9 HG2 ARG 9 6.088 5.792 1.528 71 HG3 ARG 9 HG3 ARG 9 5.564 4.367 0.616 72 HD2 ARG 9 HD2 ARG 9 6.647 3.701 2.679 73 HD3 ARG 9 HD3 ARG 9 7.600 3.196 1.285 74 HE ARG 9 HE ARG 9 8.704 5.572 1.945 75 HH11 ARG 9 HH11 ARG 9 8.017 2.637 3.727 76 HH12 ARG 9 HH12 ARG 9 9.284 2.894 4.895 77 HH21 ARG 9 HH21 ARG 9 10.365 5.919 3.468 78 HH22 ARG 9 HH22 ARG 9 10.594 4.788 4.773 79 H GLY 10 H GLY 10 6.040 8.293 1.198 80 HA2 GLY 10 HA2 GLY 10 3.860 9.516 0.821 81 HA3 GLY 10 HA3 GLY 10 3.213 7.923 0.457 82 H LYS 11 H LYS 11 1.724 8.646 2.172 83 HA LYS 11 HA LYS 11 2.798 8.193 4.874 84 HB2 LYS 11 HB2 LYS 11 0.311 9.649 3.953 85 HB3 LYS 11 HB3 LYS 11 0.687 9.320 5.640 86 HG2 LYS 11 HG2 LYS 11 2.765 10.624 5.403 87 HG3 LYS 11 HG3 LYS 11 2.316 10.997 3.740 88 HD2 LYS 11 HD2 LYS 11 1.743 12.848 5.207 89 HD3 LYS 11 HD3 LYS 11 0.281 12.110 4.549 90 HE2 LYS 11 HE2 LYS 11 -0.130 10.952 6.613 91 HE3 LYS 11 HE3 LYS 11 1.420 11.476 7.269 92 HZ1 LYS 11 HZ1 LYS 11 -0.483 12.774 8.108 93 HZ2 LYS 11 HZ2 LYS 11 -0.800 13.314 6.534 94 HZ3 LYS 11 HZ3 LYS 11 0.652 13.734 7.297 95 H MET 12 H MET 12 2.089 6.170 2.880 96 HA MET 12 HA MET 12 -0.335 4.948 3.041 97 HB2 MET 12 HB2 MET 12 2.271 3.433 3.162 98 HB3 MET 12 HB3 MET 12 0.739 2.858 2.525 99 HG2 MET 12 HG2 MET 12 0.894 4.612 0.764 100 HG3 MET 12 HG3 MET 12 2.515 4.982 1.353 101 HE1 MET 12 HE1 MET 12 4.259 2.800 1.774 102 HE2 MET 12 HE2 MET 12 4.093 1.290 0.873 103 HE3 MET 12 HE3 MET 12 2.985 1.651 2.197 104 H SER 13 H SER 13 -1.393 3.544 4.373 105 HA SER 13 HA SER 13 -0.780 3.751 7.157 106 HB2 SER 13 HB2 SER 13 -2.868 2.188 7.260 107 HB3 SER 13 HB3 SER 13 -3.065 3.857 6.711 108 HG SER 13 HG SER 13 -3.720 3.116 4.871 109 H SER 14 H SER 14 -1.327 1.557 8.416 110 HA SER 14 HA SER 14 1.025 0.085 8.329 111 HB2 SER 14 HB2 SER 14 -1.598 -0.803 9.544 112 HB3 SER 14 HB3 SER 14 0.027 -1.286 10.039 113 HG SER 14 HG SER 14 0.380 0.699 10.879 114 H TYR 15 H TYR 15 -1.954 -0.411 6.607 115 HA TYR 15 HA TYR 15 -1.755 -3.158 6.063 116 HB2 TYR 15 HB2 TYR 15 -3.755 -1.663 5.670 117 HB3 TYR 15 HB3 TYR 15 -2.937 -1.056 4.238 118 HD1 TYR 15 HD2 TYR 15 -2.101 -4.441 4.596 119 HD2 TYR 15 HD1 TYR 15 -5.297 -1.914 3.381 120 HE1 TYR 15 HE2 TYR 15 -3.054 -6.292 3.296 121 HE2 TYR 15 HE1 TYR 15 -6.264 -3.760 2.077 122 HH TYR 15 HH TYR 15 -5.325 -5.920 0.958 123 H ALA 16 H ALA 16 -0.783 -0.369 4.066 124 HA ALA 16 HA ALA 16 0.525 -1.934 2.106 125 HB1 ALA 16 HB1 ALA 16 0.929 0.976 2.775 126 HB2 ALA 16 HB2 ALA 16 -0.278 0.332 1.661 127 HB3 ALA 16 HB3 ALA 16 1.440 0.164 1.294 128 H PHE 17 H PHE 17 1.553 -0.472 5.116 129 HA PHE 17 HA PHE 17 4.332 -0.755 4.736 130 HB2 PHE 17 HB2 PHE 17 2.547 -0.102 6.944 131 HB3 PHE 17 HB3 PHE 17 3.958 -1.019 7.466 132 HD1 PHE 17 HD1 PHE 17 6.193 -0.133 7.181 133 HD2 PHE 17 HD2 PHE 17 2.765 2.135 6.086 134 HE1 PHE 17 HE1 PHE 17 7.572 1.900 7.103 135 HE2 PHE 17 HE2 PHE 17 4.137 4.176 6.009 136 HZ PHE 17 HZ PHE 17 6.546 4.053 6.525 137 H PHE 18 H PHE 18 1.882 -2.947 6.000 138 HA PHE 18 HA PHE 18 3.467 -5.033 6.910 139 HB2 PHE 18 HB2 PHE 18 1.113 -5.133 7.256 140 HB3 PHE 18 HB3 PHE 18 0.781 -5.004 5.536 141 HD1 PHE 18 HD2 PHE 18 2.118 -7.254 8.149 142 HD2 PHE 18 HD1 PHE 18 0.620 -6.908 4.184 143 HE1 PHE 18 HE2 PHE 18 1.980 -9.703 7.993 144 HE2 PHE 18 HE1 PHE 18 0.475 -9.357 4.023 145 HZ PHE 18 HZ PHE 18 1.155 -10.758 5.925 146 H VAL 19 H VAL 19 2.142 -4.586 3.649 147 HA VAL 19 HA VAL 19 3.491 -6.784 2.497 148 HB VAL 19 HB VAL 19 2.574 -4.305 1.045 149 HG11 VAL 19 HG11 VAL 19 2.934 -7.165 0.169 150 HG12 VAL 19 HG12 VAL 19 3.868 -5.765 -0.360 151 HG13 VAL 19 HG13 VAL 19 2.165 -5.910 -0.803 152 HG21 VAL 19 HG21 VAL 19 0.426 -5.412 0.787 153 HG22 VAL 19 HG22 VAL 19 0.793 -5.110 2.485 154 HG23 VAL 19 HG23 VAL 19 0.973 -6.731 1.817 155 H GLN 20 H GLN 20 4.251 -3.341 2.708 156 HA GLN 20 HA GLN 20 6.510 -3.423 1.035 157 HB2 GLN 20 HB2 GLN 20 5.522 -1.312 1.437 158 HB3 GLN 20 HB3 GLN 20 5.656 -1.499 3.182 159 HG2 GLN 20 HG2 GLN 20 7.989 -1.178 3.138 160 HG3 GLN 20 HG3 GLN 20 8.058 -1.363 1.386 161 HE21 GLN 20 HE21 GLN 20 7.508 0.321 0.084 162 HE22 GLN 20 HE22 GLN 20 7.295 1.928 0.666 163 H THR 21 H THR 21 6.238 -3.664 4.587 164 HA THR 21 HA THR 21 8.974 -3.513 5.100 165 HB THR 21 HB THR 21 7.190 -3.304 6.828 166 HG1 THR 21 HG1 THR 21 9.086 -3.507 7.811 167 HG21 THR 21 HG21 THR 21 6.342 -5.319 7.912 168 HG22 THR 21 HG22 THR 21 7.165 -6.318 6.719 169 HG23 THR 21 HG23 THR 21 5.845 -5.259 6.220 170 H CYS 22 H CYS 22 6.993 -6.321 4.221 171 HA CYS 22 HA CYS 22 9.273 -8.081 4.584 172 HB2 CYS 22 HB2 CYS 22 7.665 -9.831 3.692 173 HB3 CYS 22 HB3 CYS 22 7.223 -9.065 5.213 174 HG CYS 22 HG CYS 22 5.147 -7.627 4.297 175 H ARG 23 H ARG 23 7.488 -6.610 1.933 176 HA ARG 23 HA ARG 23 8.732 -8.075 -0.162 177 HB2 ARG 23 HB2 ARG 23 6.569 -6.780 -0.297 178 HB3 ARG 23 HB3 ARG 23 7.527 -5.311 -0.329 179 HG2 ARG 23 HG2 ARG 23 8.447 -7.159 -2.329 180 HG3 ARG 23 HG3 ARG 23 6.716 -6.870 -2.490 181 HD2 ARG 23 HD2 ARG 23 7.598 -5.181 -3.782 182 HD3 ARG 23 HD3 ARG 23 7.372 -4.368 -2.234 183 HE ARG 23 HE ARG 23 9.981 -5.508 -2.965 184 HH11 ARG 23 HH11 ARG 23 8.035 -2.764 -1.991 185 HH12 ARG 23 HH12 ARG 23 9.402 -1.700 -1.847 186 HH21 ARG 23 HH21 ARG 23 11.754 -4.071 -2.805 187 HH22 ARG 23 HH22 ARG 23 11.482 -2.434 -2.290 188 H GLU 24 H GLU 24 9.393 -4.985 1.380 189 HA GLU 24 HA GLU 24 11.479 -4.260 -0.441 190 HB2 GLU 24 HB2 GLU 24 10.073 -2.614 0.744 191 HB3 GLU 24 HB3 GLU 24 10.772 -3.116 2.271 192 HG2 GLU 24 HG2 GLU 24 11.835 -1.095 1.590 193 HG3 GLU 24 HG3 GLU 24 13.001 -2.403 1.388 194 H GLU 25 H GLU 25 11.374 -5.452 2.908 195 HA GLU 25 HA GLU 25 14.137 -5.629 3.357 196 HB2 GLU 25 HB2 GLU 25 12.384 -5.898 5.102 197 HB3 GLU 25 HB3 GLU 25 11.969 -7.456 4.410 198 HG2 GLU 25 HG2 GLU 25 13.312 -7.791 6.344 199 HG3 GLU 25 HG3 GLU 25 14.215 -8.262 4.910 200 H HIS 26 H HIS 26 11.935 -7.668 1.580 201 HA HIS 26 HA HIS 26 13.589 -9.944 1.347 202 HB2 HIS 26 HB2 HIS 26 11.138 -9.872 0.811 203 HB3 HIS 26 HB3 HIS 26 11.538 -8.991 -0.660 204 HD1 HIS 26 HD1 HIS 26 11.592 -10.485 -2.632 205 HD2 HIS 26 HD2 HIS 26 12.828 -12.431 0.822 206 HE1 HIS 26 HE1 HIS 26 12.057 -12.855 -3.323 207 HE2 HIS 26 HE2 HIS 26 12.565 -14.063 -1.172 208 H LYS 27 H LYS 27 13.273 -6.995 -0.571 209 HA LYS 27 HA LYS 27 15.192 -7.935 -2.515 210 HB2 LYS 27 HB2 LYS 27 13.779 -5.289 -2.189 211 HB3 LYS 27 HB3 LYS 27 14.946 -5.609 -3.463 212 HG2 LYS 27 HG2 LYS 27 13.528 -7.461 -4.255 213 HG3 LYS 27 HG3 LYS 27 12.339 -7.044 -3.023 214 HD2 LYS 27 HD2 LYS 27 11.576 -6.039 -5.020 215 HD3 LYS 27 HD3 LYS 27 12.273 -4.734 -4.065 216 HE2 LYS 27 HE2 LYS 27 13.817 -6.191 -6.201 217 HE3 LYS 27 HE3 LYS 27 12.834 -4.772 -6.545 218 HZ1 LYS 27 HZ1 LYS 27 14.215 -3.636 -4.759 219 HZ2 LYS 27 HZ2 LYS 27 14.982 -3.968 -6.233 220 HZ3 LYS 27 HZ3 LYS 27 15.282 -4.950 -4.888 221 H LYS 28 H LYS 28 15.231 -6.126 0.425 222 HA LYS 28 HA LYS 28 17.732 -4.863 0.135 223 HB2 LYS 28 HB2 LYS 28 16.318 -5.924 2.585 224 HB3 LYS 28 HB3 LYS 28 17.805 -4.989 2.653 225 HG2 LYS 28 HG2 LYS 28 16.685 -3.090 1.640 226 HG3 LYS 28 HG3 LYS 28 15.196 -4.026 1.492 227 HD2 LYS 28 HD2 LYS 28 15.094 -2.557 3.431 228 HD3 LYS 28 HD3 LYS 28 15.103 -4.247 3.934 229 HE2 LYS 28 HE2 LYS 28 16.560 -2.949 5.366 230 HE3 LYS 28 HE3 LYS 28 17.511 -4.080 4.403 231 HZ1 LYS 28 HZ1 LYS 28 18.579 -1.945 4.451 232 HZ2 LYS 28 HZ2 LYS 28 17.177 -1.168 3.896 233 HZ3 LYS 28 HZ3 LYS 28 18.019 -2.231 2.876 234 H LYS 29 H LYS 29 16.886 -7.970 1.660 235 HA LYS 29 HA LYS 29 19.637 -8.759 1.840 236 HB2 LYS 29 HB2 LYS 29 17.045 -10.189 2.385 237 HB3 LYS 29 HB3 LYS 29 18.608 -10.981 2.547 238 HG2 LYS 29 HG2 LYS 29 19.282 -9.378 4.230 239 HG3 LYS 29 HG3 LYS 29 17.771 -8.494 4.024 240 HD2 LYS 29 HD2 LYS 29 17.694 -11.389 4.749 241 HD3 LYS 29 HD3 LYS 29 18.062 -10.193 5.991 242 HE2 LYS 29 HE2 LYS 29 15.717 -10.594 6.051 243 HE3 LYS 29 HE3 LYS 29 15.970 -8.999 5.350 244 HZ1 LYS 29 HZ1 LYS 29 15.559 -11.417 3.691 245 HZ2 LYS 29 HZ2 LYS 29 15.463 -9.791 3.218 246 HZ3 LYS 29 HZ3 LYS 29 14.280 -10.450 4.232 247 H HIS 30 H HIS 30 17.008 -9.377 -0.406 248 HA HIS 30 HA HIS 30 18.938 -10.812 -2.106 249 HB2 HIS 30 HB2 HIS 30 15.997 -11.427 -1.755 250 HB3 HIS 30 HB3 HIS 30 16.973 -12.066 -3.072 251 HD1 HIS 30 HD1 HIS 30 18.621 -13.956 -2.524 252 HD2 HIS 30 HD2 HIS 30 16.480 -12.567 0.761 253 HE1 HIS 30 HE1 HIS 30 19.034 -15.628 -0.686 254 HE2 HIS 30 HE2 HIS 30 17.580 -14.859 1.228 255 HA PRO 31 HA PRO 31 17.585 -7.105 -4.415 256 HB2 PRO 31 HB2 PRO 31 20.203 -7.430 -5.702 257 HB3 PRO 31 HB3 PRO 31 19.561 -6.045 -4.812 258 HG2 PRO 31 HG2 PRO 31 21.537 -7.583 -3.821 259 HG3 PRO 31 HG3 PRO 31 20.311 -6.843 -2.775 260 HD2 PRO 31 HD2 PRO 31 20.483 -9.656 -3.794 261 HD3 PRO 31 HD3 PRO 31 20.074 -9.073 -2.166 262 H ASP 32 H ASP 32 18.490 -10.253 -5.242 263 HA ASP 32 HA ASP 32 17.970 -9.922 -8.095 264 HB2 ASP 32 HB2 ASP 32 18.937 -12.289 -6.481 265 HB3 ASP 32 HB3 ASP 32 18.684 -12.311 -8.222 266 H ALA 33 H ALA 33 16.028 -10.160 -5.565 267 HA ALA 33 HA ALA 33 14.261 -12.121 -6.866 268 HB1 ALA 33 HB1 ALA 33 14.612 -11.745 -3.901 269 HB2 ALA 33 HB2 ALA 33 15.205 -13.106 -4.855 270 HB3 ALA 33 HB3 ALA 33 13.469 -12.842 -4.677 271 H SER 34 H SER 34 13.164 -10.451 -7.937 272 HA SER 34 HA SER 34 11.602 -8.603 -6.339 273 HB2 SER 34 HB2 SER 34 11.317 -9.245 -9.290 274 HB3 SER 34 HB3 SER 34 10.712 -7.818 -8.448 275 HG SER 34 HG SER 34 13.392 -8.528 -9.017 276 H VAL 35 H VAL 35 9.484 -8.888 -5.755 277 HA VAL 35 HA VAL 35 8.520 -11.610 -5.856 278 HB VAL 35 HB VAL 35 6.840 -10.954 -4.286 279 HG11 VAL 35 HG11 VAL 35 9.450 -9.588 -3.653 280 HG12 VAL 35 HG12 VAL 35 9.017 -11.265 -3.309 281 HG13 VAL 35 HG13 VAL 35 8.185 -9.949 -2.478 282 HG21 VAL 35 HG21 VAL 35 7.654 -8.103 -4.826 283 HG22 VAL 35 HG22 VAL 35 6.504 -8.628 -3.593 284 HG23 VAL 35 HG23 VAL 35 6.138 -8.871 -5.303 285 H ASN 36 H ASN 36 6.462 -12.223 -6.636 286 HA ASN 36 HA ASN 36 5.634 -10.779 -9.003 287 HB2 ASN 36 HB2 ASN 36 4.370 -13.259 -7.818 288 HB3 ASN 36 HB3 ASN 36 4.256 -12.687 -9.480 289 HD21 ASN 36 HD21 ASN 36 6.044 -12.924 -10.850 290 HD22 ASN 36 HD22 ASN 36 7.292 -14.071 -10.508 291 H PHE 37 H PHE 37 3.844 -9.528 -9.185 292 HA PHE 37 HA PHE 37 2.705 -8.412 -6.885 293 HB2 PHE 37 HB2 PHE 37 1.900 -8.334 -9.783 294 HB3 PHE 37 HB3 PHE 37 0.971 -7.496 -8.544 295 HD1 PHE 37 HD2 PHE 37 1.998 -5.658 -7.266 296 HD2 PHE 37 HD1 PHE 37 3.975 -7.469 -10.569 297 HE1 PHE 37 HE2 PHE 37 3.514 -3.725 -7.413 298 HE2 PHE 37 HE1 PHE 37 5.492 -5.539 -10.722 299 HZ PHE 37 HZ PHE 37 5.262 -3.663 -9.139 300 H SER 38 H SER 38 1.443 -10.879 -9.092 301 HA SER 38 HA SER 38 -1.107 -11.053 -7.881 302 HB2 SER 38 HB2 SER 38 -1.227 -13.258 -9.093 303 HB3 SER 38 HB3 SER 38 -0.808 -11.887 -10.120 304 HG SER 38 HG SER 38 0.690 -14.101 -9.385 305 H GLU 39 H GLU 39 1.815 -13.029 -7.554 306 HA GLU 39 HA GLU 39 0.662 -14.912 -5.792 307 HB2 GLU 39 HB2 GLU 39 3.602 -14.295 -6.047 308 HB3 GLU 39 HB3 GLU 39 2.860 -15.816 -5.573 309 HG2 GLU 39 HG2 GLU 39 2.848 -14.549 -8.295 310 HG3 GLU 39 HG3 GLU 39 3.670 -16.028 -7.802 311 H PHE 40 H PHE 40 3.041 -12.340 -5.193 312 HA PHE 40 HA PHE 40 3.278 -12.989 -2.444 313 HB2 PHE 40 HB2 PHE 40 5.110 -12.006 -3.724 314 HB3 PHE 40 HB3 PHE 40 4.171 -10.540 -3.971 315 HD1 PHE 40 HD2 PHE 40 5.976 -12.560 -1.480 316 HD2 PHE 40 HD1 PHE 40 4.020 -8.871 -2.296 317 HE1 PHE 40 HE2 PHE 40 6.909 -11.608 0.590 318 HE2 PHE 40 HE1 PHE 40 4.947 -7.917 -0.231 319 HZ PHE 40 HZ PHE 40 6.394 -9.284 1.217 320 H SER 41 H SER 41 1.766 -10.208 -4.101 321 HA SER 41 HA SER 41 1.051 -8.942 -1.684 322 HB2 SER 41 HB2 SER 41 -0.252 -8.497 -4.365 323 HB3 SER 41 HB3 SER 41 -0.082 -7.350 -3.034 324 HG SER 41 HG SER 41 1.640 -6.764 -4.116 325 H LYS 42 H LYS 42 -0.713 -11.165 -3.824 326 HA LYS 42 HA LYS 42 -3.225 -10.870 -2.596 327 HB2 LYS 42 HB2 LYS 42 -3.214 -11.992 -4.661 328 HB3 LYS 42 HB3 LYS 42 -1.975 -13.124 -4.144 329 HG2 LYS 42 HG2 LYS 42 -3.511 -14.283 -2.739 330 HG3 LYS 42 HG3 LYS 42 -4.744 -13.046 -2.977 331 HD2 LYS 42 HD2 LYS 42 -5.096 -13.679 -5.216 332 HD3 LYS 42 HD3 LYS 42 -3.615 -14.638 -5.261 333 HE2 LYS 42 HE2 LYS 42 -5.804 -15.919 -5.084 334 HE3 LYS 42 HE3 LYS 42 -4.543 -16.332 -3.926 335 HZ1 LYS 42 HZ1 LYS 42 -6.920 -16.020 -3.075 336 HZ2 LYS 42 HZ2 LYS 42 -6.630 -14.361 -3.237 337 HZ3 LYS 42 HZ3 LYS 42 -5.660 -15.292 -2.202 338 H LYS 43 H LYS 43 -0.590 -13.175 -1.908 339 HA LYS 43 HA LYS 43 -2.017 -14.469 0.176 340 HB2 LYS 43 HB2 LYS 43 0.102 -15.520 0.772 341 HB3 LYS 43 HB3 LYS 43 -0.164 -15.579 -0.963 342 HG2 LYS 43 HG2 LYS 43 1.396 -13.742 -1.283 343 HG3 LYS 43 HG3 LYS 43 1.637 -13.631 0.461 344 HD2 LYS 43 HD2 LYS 43 3.462 -14.860 -0.574 345 HD3 LYS 43 HD3 LYS 43 2.519 -15.916 0.480 346 HE2 LYS 43 HE2 LYS 43 1.286 -16.717 -1.528 347 HE3 LYS 43 HE3 LYS 43 2.376 -15.755 -2.527 348 HZ1 LYS 43 HZ1 LYS 43 3.018 -18.117 -2.337 349 HZ2 LYS 43 HZ2 LYS 43 3.266 -17.897 -0.677 350 HZ3 LYS 43 HZ3 LYS 43 4.224 -17.055 -1.794 351 H CYS 44 H CYS 44 0.143 -11.699 0.074 352 HA CYS 44 HA CYS 44 0.374 -11.378 2.881 353 HB2 CYS 44 HB2 CYS 44 0.596 -9.359 0.644 354 HB3 CYS 44 HB3 CYS 44 1.006 -9.025 2.323 355 HG CYS 44 HG CYS 44 2.678 -10.864 0.029 356 H SER 45 H SER 45 -1.894 -10.115 0.474 357 HA SER 45 HA SER 45 -3.474 -8.515 2.102 358 HB2 SER 45 HB2 SER 45 -3.810 -8.575 -0.300 359 HB3 SER 45 HB3 SER 45 -4.246 -10.281 -0.240 360 HG SER 45 HG SER 45 -6.200 -9.532 -0.102 361 H GLU 46 H GLU 46 -3.817 -11.976 1.381 362 HA GLU 46 HA GLU 46 -6.022 -12.434 3.052 363 HB2 GLU 46 HB2 GLU 46 -3.879 -14.366 2.151 364 HB3 GLU 46 HB3 GLU 46 -5.441 -14.818 2.828 365 HG2 GLU 46 HG2 GLU 46 -6.556 -13.691 0.947 366 HG3 GLU 46 HG3 GLU 46 -4.979 -13.314 0.260 367 H ARG 47 H ARG 47 -2.537 -12.696 3.675 368 HA ARG 47 HA ARG 47 -2.739 -13.693 6.298 369 HB2 ARG 47 HB2 ARG 47 -0.596 -12.058 4.953 370 HB3 ARG 47 HB3 ARG 47 -0.445 -12.643 6.602 371 HG2 ARG 47 HG2 ARG 47 -0.664 -14.948 5.786 372 HG3 ARG 47 HG3 ARG 47 -0.761 -14.337 4.132 373 HD2 ARG 47 HD2 ARG 47 1.464 -13.338 4.382 374 HD3 ARG 47 HD3 ARG 47 1.556 -13.960 6.029 375 HE ARG 47 HE ARG 47 1.072 -16.010 4.079 376 HH11 ARG 47 HH11 ARG 47 3.542 -14.081 5.644 377 HH12 ARG 47 HH12 ARG 47 4.816 -15.218 5.328 378 HH21 ARG 47 HH21 ARG 47 2.728 -17.543 3.724 379 HH22 ARG 47 HH22 ARG 47 4.348 -17.188 4.240 380 H TRP 48 H TRP 48 -2.530 -10.357 5.090 381 HA TRP 48 HA TRP 48 -2.414 -9.079 7.573 382 HB2 TRP 48 HB2 TRP 48 -1.940 -7.815 5.590 383 HB3 TRP 48 HB3 TRP 48 -3.538 -8.149 4.928 384 HD1 TRP 48 HD1 TRP 48 -5.532 -6.609 5.690 385 HE1 TRP 48 HE1 TRP 48 -5.669 -4.458 7.107 386 HE3 TRP 48 HE3 TRP 48 -0.796 -6.581 7.590 387 HZ2 TRP 48 HZ2 TRP 48 -3.986 -2.958 8.811 388 HZ3 TRP 48 HZ3 TRP 48 -0.132 -4.755 9.092 389 HH2 TRP 48 HH2 TRP 48 -1.685 -2.978 9.686 390 H LYS 49 H LYS 49 -5.219 -9.984 5.600 391 HA LYS 49 HA LYS 49 -7.093 -8.684 7.289 392 HB2 LYS 49 HB2 LYS 49 -7.679 -10.944 5.378 393 HB3 LYS 49 HB3 LYS 49 -8.797 -9.720 5.958 394 HG2 LYS 49 HG2 LYS 49 -7.225 -8.030 4.794 395 HG3 LYS 49 HG3 LYS 49 -6.577 -9.446 3.970 396 HD2 LYS 49 HD2 LYS 49 -8.816 -10.008 3.160 397 HD3 LYS 49 HD3 LYS 49 -9.466 -8.584 3.974 398 HE2 LYS 49 HE2 LYS 49 -7.498 -8.651 1.693 399 HE3 LYS 49 HE3 LYS 49 -9.161 -8.069 1.651 400 HZ1 LYS 49 HZ1 LYS 49 -8.066 -6.110 1.882 401 HZ2 LYS 49 HZ2 LYS 49 -6.765 -6.789 2.719 402 HZ3 LYS 49 HZ3 LYS 49 -8.227 -6.493 3.529 403 H THR 50 H THR 50 -5.451 -11.672 7.511 404 HA THR 50 HA THR 50 -7.375 -12.652 9.512 405 HB THR 50 HB THR 50 -6.255 -14.855 9.212 406 HG1 THR 50 HG1 THR 50 -5.100 -13.778 6.850 407 HG21 THR 50 HG21 THR 50 -8.331 -14.376 8.032 408 HG22 THR 50 HG22 THR 50 -7.265 -15.348 7.016 409 HG23 THR 50 HG23 THR 50 -7.431 -13.617 6.721 410 H MET 51 H MET 51 -5.191 -10.612 9.869 411 HA MET 51 HA MET 51 -3.403 -12.092 11.679 412 HB2 MET 51 HB2 MET 51 -2.388 -10.857 9.743 413 HB3 MET 51 HB3 MET 51 -2.952 -9.362 10.475 414 HG2 MET 51 HG2 MET 51 -1.569 -9.754 12.417 415 HG3 MET 51 HG3 MET 51 -1.055 -11.308 11.763 416 HE1 MET 51 HE1 MET 51 -1.636 -7.978 9.792 417 HE2 MET 51 HE2 MET 51 -0.030 -7.248 9.843 418 HE3 MET 51 HE3 MET 51 -0.967 -7.422 11.327 419 H SER 52 H SER 52 -2.874 -11.211 13.715 420 HA SER 52 HA SER 52 -5.070 -10.065 15.101 421 HB2 SER 52 HB2 SER 52 -3.516 -11.627 16.186 422 HB3 SER 52 HB3 SER 52 -2.199 -10.471 15.991 423 HG SER 52 HG SER 52 -4.501 -10.273 17.639 424 H ALA 53 H ALA 53 -4.975 -8.115 16.421 425 HA ALA 53 HA ALA 53 -4.298 -5.856 14.818 426 HB1 ALA 53 HB1 ALA 53 -6.298 -5.910 16.235 427 HB2 ALA 53 HB2 ALA 53 -5.262 -4.531 16.606 428 HB3 ALA 53 HB3 ALA 53 -5.271 -5.937 17.670 429 H LYS 54 H LYS 54 -2.729 -7.550 17.400 430 HA LYS 54 HA LYS 54 -1.036 -5.554 18.376 431 HB2 LYS 54 HB2 LYS 54 -0.732 -8.536 18.169 432 HB3 LYS 54 HB3 LYS 54 0.544 -7.531 18.842 433 HG2 LYS 54 HG2 LYS 54 -1.049 -6.682 20.521 434 HG3 LYS 54 HG3 LYS 54 -2.274 -7.778 19.874 435 HD2 LYS 54 HD2 LYS 54 -0.984 -9.694 20.494 436 HD3 LYS 54 HD3 LYS 54 0.402 -8.689 20.923 437 HE2 LYS 54 HE2 LYS 54 -2.280 -8.638 22.297 438 HE3 LYS 54 HE3 LYS 54 -0.849 -9.474 22.897 439 HZ1 LYS 54 HZ1 LYS 54 -1.111 -6.540 22.476 440 HZ2 LYS 54 HZ2 LYS 54 0.295 -7.328 22.998 441 HZ3 LYS 54 HZ3 LYS 54 -1.096 -7.342 23.970 442 H GLU 55 H GLU 55 -0.550 -7.838 15.707 443 HA GLU 55 HA GLU 55 2.009 -6.864 14.995 444 HB2 GLU 55 HB2 GLU 55 -0.011 -8.282 13.248 445 HB3 GLU 55 HB3 GLU 55 1.710 -8.118 12.928 446 HG2 GLU 55 HG2 GLU 55 0.433 -9.658 15.172 447 HG3 GLU 55 HG3 GLU 55 1.242 -10.323 13.755 448 H LYS 56 H LYS 56 -1.258 -6.081 13.971 449 HA LYS 56 HA LYS 56 -0.669 -4.320 11.880 450 HB2 LYS 56 HB2 LYS 56 -2.988 -4.318 13.820 451 HB3 LYS 56 HB3 LYS 56 -2.914 -3.335 12.363 452 HG2 LYS 56 HG2 LYS 56 -2.905 -5.294 10.970 453 HG3 LYS 56 HG3 LYS 56 -2.774 -6.345 12.382 454 HD2 LYS 56 HD2 LYS 56 -4.971 -5.562 13.153 455 HD3 LYS 56 HD3 LYS 56 -5.101 -4.541 11.720 456 HE2 LYS 56 HE2 LYS 56 -4.696 -7.514 11.549 457 HE3 LYS 56 HE3 LYS 56 -6.294 -6.792 11.657 458 HZ1 LYS 56 HZ1 LYS 56 -4.302 -6.343 9.513 459 HZ2 LYS 56 HZ2 LYS 56 -5.771 -5.514 9.638 460 HZ3 LYS 56 HZ3 LYS 56 -5.762 -7.189 9.383 461 H GLY 57 H GLY 57 -1.048 -3.734 15.362 462 HA2 GLY 57 HA2 GLY 57 -0.537 -0.954 15.301 463 HA3 GLY 57 HA3 GLY 57 -0.328 -2.006 16.694 464 H LYS 58 H LYS 58 1.579 -3.737 15.375 465 HA LYS 58 HA LYS 58 4.012 -2.436 15.899 466 HB2 LYS 58 HB2 LYS 58 3.951 -4.809 16.007 467 HB3 LYS 58 HB3 LYS 58 3.304 -4.939 14.379 468 HG2 LYS 58 HG2 LYS 58 5.490 -4.007 13.552 469 HG3 LYS 58 HG3 LYS 58 6.101 -4.207 15.198 470 HD2 LYS 58 HD2 LYS 58 6.653 -6.114 13.716 471 HD3 LYS 58 HD3 LYS 58 5.683 -6.583 15.111 472 HE2 LYS 58 HE2 LYS 58 3.687 -6.643 13.764 473 HE3 LYS 58 HE3 LYS 58 4.557 -6.023 12.367 474 HZ1 LYS 58 HZ1 LYS 58 4.860 -8.670 13.666 475 HZ2 LYS 58 HZ2 LYS 58 5.967 -8.075 12.528 476 HZ3 LYS 58 HZ3 LYS 58 4.353 -8.345 12.082 477 H PHE 59 H PHE 59 2.326 -3.128 12.846 478 HA PHE 59 HA PHE 59 4.296 -1.893 11.200 479 HB2 PHE 59 HB2 PHE 59 1.388 -2.493 10.610 480 HB3 PHE 59 HB3 PHE 59 2.582 -2.006 9.414 481 HD1 PHE 59 HD1 PHE 59 4.787 -3.519 9.481 482 HD2 PHE 59 HD2 PHE 59 0.928 -4.727 10.780 483 HE1 PHE 59 HE1 PHE 59 5.425 -5.875 9.182 484 HE2 PHE 59 HE2 PHE 59 1.558 -7.081 10.480 485 HZ PHE 59 HZ PHE 59 3.810 -7.659 9.682 486 H GLU 60 H GLU 60 1.685 -0.714 13.105 487 HA GLU 60 HA GLU 60 1.435 1.827 11.848 488 HB2 GLU 60 HB2 GLU 60 -0.302 0.946 13.352 489 HB3 GLU 60 HB3 GLU 60 0.826 1.016 14.698 490 HG2 GLU 60 HG2 GLU 60 0.976 3.475 14.357 491 HG3 GLU 60 HG3 GLU 60 -0.296 3.333 13.146 492 H ASP 61 H ASP 61 3.470 0.532 14.426 493 HA ASP 61 HA ASP 61 4.566 2.991 15.267 494 HB2 ASP 61 HB2 ASP 61 4.804 1.058 16.679 495 HB3 ASP 61 HB3 ASP 61 5.697 0.193 15.428 496 H MET 62 H MET 62 5.765 0.579 12.938 497 HA MET 62 HA MET 62 8.102 2.002 12.252 498 HB2 MET 62 HB2 MET 62 8.305 0.541 10.364 499 HB3 MET 62 HB3 MET 62 7.688 -0.407 11.711 500 HG2 MET 62 HG2 MET 62 5.424 -0.219 10.772 501 HG3 MET 62 HG3 MET 62 6.088 0.679 9.408 502 HE1 MET 62 HE1 MET 62 5.860 -2.783 11.220 503 HE2 MET 62 HE2 MET 62 7.573 -2.376 11.354 504 HE3 MET 62 HE3 MET 62 7.061 -3.726 10.338 505 H ALA 63 H ALA 63 4.788 2.201 11.157 506 HA ALA 63 HA ALA 63 5.188 3.889 8.937 507 HB1 ALA 63 HB1 ALA 63 3.072 2.722 9.346 508 HB2 ALA 63 HB2 ALA 63 2.829 4.459 9.153 509 HB3 ALA 63 HB3 ALA 63 2.791 3.736 10.762 510 H LYS 64 H LYS 64 4.770 4.525 12.385 511 HA LYS 64 HA LYS 64 4.657 7.349 12.188 512 HB2 LYS 64 HB2 LYS 64 5.610 5.651 14.504 513 HB3 LYS 64 HB3 LYS 64 5.150 7.345 14.590 514 HG2 LYS 64 HG2 LYS 64 2.864 6.791 14.036 515 HG3 LYS 64 HG3 LYS 64 3.306 5.094 13.827 516 HD2 LYS 64 HD2 LYS 64 4.023 5.052 16.211 517 HD3 LYS 64 HD3 LYS 64 3.409 6.698 16.383 518 HE2 LYS 64 HE2 LYS 64 1.785 4.287 15.575 519 HE3 LYS 64 HE3 LYS 64 1.791 5.032 17.174 520 HZ1 LYS 64 HZ1 LYS 64 1.052 6.524 14.723 521 HZ2 LYS 64 HZ2 LYS 64 0.779 6.966 16.339 522 HZ3 LYS 64 HZ3 LYS 64 -0.086 5.685 15.652 523 H ALA 65 H ALA 65 7.296 5.046 12.513 524 HA ALA 65 HA ALA 65 9.354 6.921 13.024 525 HB1 ALA 65 HB1 ALA 65 10.887 5.114 12.460 526 HB2 ALA 65 HB2 ALA 65 9.558 4.185 11.766 527 HB3 ALA 65 HB3 ALA 65 9.588 4.524 13.497 528 H ASP 66 H ASP 66 8.287 5.309 10.031 529 HA ASP 66 HA ASP 66 10.065 6.843 8.395 530 HB2 ASP 66 HB2 ASP 66 7.892 4.866 7.859 531 HB3 ASP 66 HB3 ASP 66 8.458 5.891 6.542 532 H LYS 67 H LYS 67 6.934 7.391 9.693 533 HA LYS 67 HA LYS 67 6.074 9.363 7.843 534 HB2 LYS 67 HB2 LYS 67 4.581 8.284 9.515 535 HB3 LYS 67 HB3 LYS 67 5.426 9.146 10.792 536 HG2 LYS 67 HG2 LYS 67 4.702 11.276 9.833 537 HG3 LYS 67 HG3 LYS 67 3.848 10.403 8.557 538 HD2 LYS 67 HD2 LYS 67 2.455 9.309 10.270 539 HD3 LYS 67 HD3 LYS 67 3.288 10.238 11.519 540 HE2 LYS 67 HE2 LYS 67 2.501 12.316 10.489 541 HE3 LYS 67 HE3 LYS 67 1.666 11.383 9.248 542 HZ1 LYS 67 HZ1 LYS 67 0.341 10.354 11.037 543 HZ2 LYS 67 HZ2 LYS 67 0.110 12.029 10.925 544 HZ3 LYS 67 HZ3 LYS 67 1.075 11.392 12.159 545 H ALA 68 H ALA 68 7.942 9.489 10.850 546 HA ALA 68 HA ALA 68 8.384 12.283 10.838 547 HB1 ALA 68 HB1 ALA 68 8.778 10.879 12.816 548 HB2 ALA 68 HB2 ALA 68 10.212 11.812 12.387 549 HB3 ALA 68 HB3 ALA 68 10.124 10.098 11.986 550 H ARG 69 H ARG 69 10.043 9.551 9.386 551 HA ARG 69 HA ARG 69 12.220 10.963 8.269 552 HB2 ARG 69 HB2 ARG 69 12.360 8.592 8.426 553 HB3 ARG 69 HB3 ARG 69 10.850 8.373 7.555 554 HG2 ARG 69 HG2 ARG 69 11.900 9.157 5.508 555 HG3 ARG 69 HG3 ARG 69 13.411 9.434 6.379 556 HD2 ARG 69 HD2 ARG 69 12.058 6.749 6.256 557 HD3 ARG 69 HD3 ARG 69 13.249 7.273 5.067 558 HE ARG 69 HE ARG 69 14.650 7.642 7.267 559 HH11 ARG 69 HH11 ARG 69 12.428 4.977 6.630 560 HH12 ARG 69 HH12 ARG 69 13.445 3.802 7.417 561 HH21 ARG 69 HH21 ARG 69 15.950 6.066 8.314 562 HH22 ARG 69 HH22 ARG 69 15.411 4.411 8.371 563 H TYR 70 H TYR 70 8.965 10.260 7.146 564 HA TYR 70 HA TYR 70 9.151 11.322 4.559 565 HB2 TYR 70 HB2 TYR 70 7.235 10.057 4.932 566 HB3 TYR 70 HB3 TYR 70 6.917 10.804 6.491 567 HD1 TYR 70 HD1 TYR 70 6.702 11.306 2.836 568 HD2 TYR 70 HD2 TYR 70 5.523 12.707 6.670 569 HE1 TYR 70 HE1 TYR 70 5.056 12.794 1.780 570 HE2 TYR 70 HE2 TYR 70 3.876 14.197 5.632 571 HH TYR 70 HH TYR 70 2.981 13.957 2.348 572 H GLU 71 H GLU 71 8.116 12.807 7.625 573 HA GLU 71 HA GLU 71 7.555 15.347 6.742 574 HB2 GLU 71 HB2 GLU 71 8.663 14.300 9.329 575 HB3 GLU 71 HB3 GLU 71 8.335 16.007 9.098 576 HG2 GLU 71 HG2 GLU 71 6.313 13.804 8.799 577 HG3 GLU 71 HG3 GLU 71 6.501 14.829 10.218 578 H ARG 72 H ARG 72 10.707 14.067 7.801 579 HA ARG 72 HA ARG 72 12.210 16.409 7.505 580 HB2 ARG 72 HB2 ARG 72 13.210 13.639 6.845 581 HB3 ARG 72 HB3 ARG 72 14.161 15.014 7.376 582 HG2 ARG 72 HG2 ARG 72 13.102 14.888 9.579 583 HG3 ARG 72 HG3 ARG 72 12.163 13.491 9.038 584 HD2 ARG 72 HD2 ARG 72 14.417 12.446 8.439 585 HD3 ARG 72 HD3 ARG 72 15.134 13.726 9.409 586 HE ARG 72 HE ARG 72 13.146 11.896 10.572 587 HH11 ARG 72 HH11 ARG 72 16.293 13.413 10.602 588 HH12 ARG 72 HH12 ARG 72 16.823 12.587 12.036 589 HH21 ARG 72 HH21 ARG 72 13.836 10.776 12.449 590 HH22 ARG 72 HH22 ARG 72 15.427 11.088 13.090 591 H GLU 73 H GLU 73 11.847 13.714 5.244 592 HA GLU 73 HA GLU 73 13.447 14.772 3.214 593 HB2 GLU 73 HB2 GLU 73 12.422 12.364 3.647 594 HB3 GLU 73 HB3 GLU 73 11.195 12.940 2.529 595 HG2 GLU 73 HG2 GLU 73 12.867 11.712 1.324 596 HG3 GLU 73 HG3 GLU 73 12.955 13.418 0.877 597 H MET 74 H MET 74 9.963 14.970 3.749 598 HA MET 74 HA MET 74 9.333 16.004 1.194 599 HB2 MET 74 HB2 MET 74 7.757 14.870 2.804 600 HB3 MET 74 HB3 MET 74 7.735 16.363 3.728 601 HG2 MET 74 HG2 MET 74 5.840 16.580 2.471 602 HG3 MET 74 HG3 MET 74 7.011 17.434 1.474 603 HE1 MET 74 HE1 MET 74 8.595 15.233 -0.216 604 HE2 MET 74 HE2 MET 74 7.842 16.722 -0.782 605 HE3 MET 74 HE3 MET 74 7.498 15.195 -1.593 606 H LYS 75 H LYS 75 10.365 17.525 4.174 607 HA LYS 75 HA LYS 75 9.621 20.184 3.378 608 HB2 LYS 75 HB2 LYS 75 11.659 19.325 5.443 609 HB3 LYS 75 HB3 LYS 75 10.985 20.937 5.265 610 HG2 LYS 75 HG2 LYS 75 9.432 18.469 6.011 611 HG3 LYS 75 HG3 LYS 75 9.993 19.710 7.132 612 HD2 LYS 75 HD2 LYS 75 8.599 21.368 6.012 613 HD3 LYS 75 HD3 LYS 75 8.076 20.153 4.843 614 HE2 LYS 75 HE2 LYS 75 7.601 20.028 7.821 615 HE3 LYS 75 HE3 LYS 75 6.408 20.511 6.615 616 HZ1 LYS 75 HZ1 LYS 75 7.754 17.872 6.629 617 HZ2 LYS 75 HZ2 LYS 75 6.443 18.351 5.665 618 HZ3 LYS 75 HZ3 LYS 75 6.243 18.152 7.342 619 H THR 76 H THR 76 12.438 18.151 3.103 620 HA THR 76 HA THR 76 14.123 20.289 2.111 621 HB THR 76 HB THR 76 15.827 18.484 1.911 622 HG1 THR 76 HG1 THR 76 13.704 16.906 1.980 623 HG21 THR 76 HG21 THR 76 15.624 19.764 3.975 624 HG22 THR 76 HG22 THR 76 16.049 18.088 4.328 625 HG23 THR 76 HG23 THR 76 14.392 18.647 4.558 626 H TYR 77 H TYR 77 11.746 18.553 0.768 627 HA TYR 77 HA TYR 77 13.035 17.825 -1.713 628 HB2 TYR 77 HB2 TYR 77 11.277 16.407 -0.730 629 HB3 TYR 77 HB3 TYR 77 10.127 17.730 -0.870 630 HD1 TYR 77 HD1 TYR 77 9.530 18.562 -3.201 631 HD2 TYR 77 HD2 TYR 77 11.595 14.899 -2.541 632 HE1 TYR 77 HE1 TYR 77 8.869 17.794 -5.433 633 HE2 TYR 77 HE2 TYR 77 10.953 14.132 -4.781 634 HH TYR 77 HH TYR 77 8.929 14.706 -6.402 635 H ILE 78 H ILE 78 13.164 19.094 -3.444 636 HA ILE 78 HA ILE 78 11.740 21.641 -3.458 637 HB ILE 78 HB ILE 78 13.974 20.591 -5.207 638 HG12 ILE 78 HG12 ILE 78 15.108 22.693 -4.236 639 HG13 ILE 78 HG13 ILE 78 13.812 22.689 -3.048 640 HG21 ILE 78 HG21 ILE 78 12.583 23.262 -5.387 641 HG22 ILE 78 HG22 ILE 78 12.460 21.949 -6.557 642 HG23 ILE 78 HG23 ILE 78 14.001 22.770 -6.312 643 HD11 ILE 78 HD11 ILE 78 15.802 20.481 -3.507 644 HD12 ILE 78 HD12 ILE 78 14.500 20.459 -2.320 645 HD13 ILE 78 HD13 ILE 78 15.808 21.632 -2.173 646 HA PRO 79 HA PRO 79 8.668 19.632 -6.045 647 HB2 PRO 79 HB2 PRO 79 7.573 22.361 -6.233 648 HB3 PRO 79 HB3 PRO 79 6.818 20.887 -5.622 649 HG2 PRO 79 HG2 PRO 79 7.575 22.866 -3.973 650 HG3 PRO 79 HG3 PRO 79 7.686 21.159 -3.502 651 HD2 PRO 79 HD2 PRO 79 9.847 23.012 -4.434 652 HD3 PRO 79 HD3 PRO 79 9.889 21.791 -3.144 653 HA PRO 80 HA PRO 80 10.518 21.156 -9.842 654 HB2 PRO 80 HB2 PRO 80 10.415 18.784 -11.147 655 HB3 PRO 80 HB3 PRO 80 11.658 19.175 -9.959 656 HG2 PRO 80 HG2 PRO 80 9.418 17.302 -9.755 657 HG3 PRO 80 HG3 PRO 80 10.882 17.412 -8.767 658 HD2 PRO 80 HD2 PRO 80 8.228 18.387 -8.174 659 HD3 PRO 80 HD3 PRO 80 9.666 18.393 -7.137 660 H LYS 81 H LYS 81 9.847 21.289 -12.080 661 HA LYS 81 HA LYS 81 6.973 20.779 -12.495 662 HB2 LYS 81 HB2 LYS 81 7.540 23.210 -12.272 663 HB3 LYS 81 HB3 LYS 81 8.577 23.056 -13.682 664 HG2 LYS 81 HG2 LYS 81 6.481 24.007 -14.347 665 HG3 LYS 81 HG3 LYS 81 6.604 22.376 -15.010 666 HD2 LYS 81 HD2 LYS 81 5.210 21.538 -13.172 667 HD3 LYS 81 HD3 LYS 81 5.071 23.178 -12.536 668 HE2 LYS 81 HE2 LYS 81 3.991 23.877 -14.631 669 HE3 LYS 81 HE3 LYS 81 4.103 22.223 -15.231 670 HZ1 LYS 81 HZ1 LYS 81 1.917 22.644 -14.354 671 HZ2 LYS 81 HZ2 LYS 81 2.556 23.142 -12.863 672 HZ3 LYS 81 HZ3 LYS 81 2.707 21.521 -13.352 673 H GLY 82 H GLY 82 7.209 18.840 -13.543 674 HA2 GLY 82 HA2 GLY 82 8.867 18.873 -15.996 675 HA3 GLY 82 HA3 GLY 82 8.615 17.440 -15.010 676 H GLU 83 H GLU 83 6.320 19.877 -16.126 677 HA GLU 83 HA GLU 83 4.765 17.722 -17.397 678 HB2 GLU 83 HB2 GLU 83 3.866 20.348 -16.195 679 HB3 GLU 83 HB3 GLU 83 2.809 19.255 -17.076 680 HG2 GLU 83 HG2 GLU 83 2.913 17.622 -15.414 681 HG3 GLU 83 HG3 GLU 83 4.345 18.339 -14.674 682 H LEU 14 H LEU 14 16.452 -27.989 -24.917 683 HA LEU 14 HA LEU 14 16.171 -29.058 -27.654 684 HB2 LEU 14 HB2 LEU 14 14.384 -29.400 -25.256 685 HB3 LEU 14 HB3 LEU 14 13.801 -29.660 -26.887 686 HG LEU 14 HG LEU 14 14.335 -31.788 -25.952 687 HD11 LEU 14 HD11 LEU 14 16.530 -30.961 -27.838 688 HD12 LEU 14 HD12 LEU 14 14.919 -31.511 -28.291 689 HD13 LEU 14 HD13 LEU 14 16.035 -32.616 -27.490 690 HD21 LEU 14 HD21 LEU 14 17.078 -30.702 -25.342 691 HD22 LEU 14 HD22 LEU 14 16.535 -32.360 -25.089 692 HD23 LEU 14 HD23 LEU 14 15.814 -31.046 -24.161 693 H SER 15 H SER 15 14.421 -28.193 -28.917 694 HA SER 15 HA SER 15 14.064 -25.352 -28.422 695 HB2 SER 15 HB2 SER 15 13.176 -26.960 -30.824 696 HB3 SER 15 HB3 SER 15 13.381 -25.211 -30.723 697 HG SER 15 HG SER 15 15.180 -26.063 -31.715 698 H GLN 16 H GLN 16 12.424 -28.090 -27.612 699 HA GLN 16 HA GLN 16 10.318 -28.610 -26.943 700 HB2 GLN 16 HB2 GLN 16 9.962 -25.608 -26.892 701 HB3 GLN 16 HB3 GLN 16 8.856 -26.770 -26.173 702 HG2 GLN 16 HG2 GLN 16 10.626 -27.510 -24.660 703 HG3 GLN 16 HG3 GLN 16 11.722 -26.330 -25.377 704 HE21 GLN 16 HE21 GLN 16 10.799 -26.592 -22.628 705 HE22 GLN 16 HE22 GLN 16 10.063 -25.077 -22.225 706 H GLU 17 H GLU 17 10.972 -28.102 -29.817 707 HA GLU 17 HA GLU 17 8.970 -26.825 -31.230 708 HB2 GLU 17 HB2 GLU 17 11.109 -27.547 -32.183 709 HB3 GLU 17 HB3 GLU 17 10.615 -29.226 -32.038 710 HG2 GLU 17 HG2 GLU 17 8.749 -28.751 -33.600 711 HG3 GLU 17 HG3 GLU 17 9.410 -27.129 -33.824 712 H THR 18 H THR 18 9.248 -30.389 -31.114 713 HA THR 18 HA THR 18 6.403 -30.644 -31.582 714 HB THR 18 HB THR 18 6.981 -33.139 -31.358 715 HG1 THR 18 HG1 THR 18 9.648 -32.422 -31.846 716 HG21 THR 18 HG21 THR 18 8.371 -31.509 -33.491 717 HG22 THR 18 HG22 THR 18 6.680 -32.008 -33.518 718 HG23 THR 18 HG23 THR 18 7.959 -33.221 -33.599 719 H PHE 19 H PHE 19 8.458 -30.408 -28.915 720 HA PHE 19 HA PHE 19 7.181 -32.196 -27.122 721 HB2 PHE 19 HB2 PHE 19 8.922 -29.798 -26.520 722 HB3 PHE 19 HB3 PHE 19 8.506 -31.079 -25.386 723 HD1 PHE 19 HD2 PHE 19 9.461 -33.309 -25.615 724 HD2 PHE 19 HD1 PHE 19 10.557 -30.149 -28.248 725 HE1 PHE 19 HE2 PHE 19 11.408 -34.614 -26.365 726 HE2 PHE 19 HE1 PHE 19 12.504 -31.448 -29.003 727 HZ PHE 19 HZ PHE 19 12.931 -33.684 -28.060 728 H SER 20 H SER 20 6.573 -28.895 -28.047 729 HA SER 20 HA SER 20 4.898 -28.326 -25.777 730 HB2 SER 20 HB2 SER 20 4.391 -26.227 -26.998 731 HB3 SER 20 HB3 SER 20 6.126 -26.515 -26.856 732 HG SER 20 HG SER 20 6.180 -26.379 -28.946 733 H ASP 21 H ASP 21 4.486 -30.225 -28.448 734 HA ASP 21 HA ASP 21 1.649 -29.594 -28.790 735 HB2 ASP 21 HB2 ASP 21 3.124 -29.976 -30.792 736 HB3 ASP 21 HB3 ASP 21 3.307 -31.647 -30.272 737 H LEU 22 H LEU 22 3.694 -31.689 -27.108 738 HA LEU 22 HA LEU 22 2.189 -34.070 -27.098 739 HB2 LEU 22 HB2 LEU 22 4.177 -33.026 -25.082 740 HB3 LEU 22 HB3 LEU 22 3.552 -34.663 -25.114 741 HG LEU 22 HG LEU 22 5.190 -33.390 -27.311 742 HD11 LEU 22 HD11 LEU 22 6.953 -34.927 -26.557 743 HD12 LEU 22 HD12 LEU 22 5.934 -35.413 -25.203 744 HD13 LEU 22 HD13 LEU 22 6.519 -33.753 -25.315 745 HD21 LEU 22 HD21 LEU 22 5.286 -35.642 -28.238 746 HD22 LEU 22 HD22 LEU 22 3.616 -35.085 -28.119 747 HD23 LEU 22 HD23 LEU 22 4.249 -36.232 -26.938 748 H TRP 23 H TRP 23 1.994 -31.171 -25.122 749 HA TRP 23 HA TRP 23 0.154 -32.507 -23.297 750 HB2 TRP 23 HB2 TRP 23 0.296 -30.526 -21.914 751 HB3 TRP 23 HB3 TRP 23 1.917 -31.041 -22.362 752 HD1 TRP 23 HD1 TRP 23 3.236 -29.473 -24.171 753 HE1 TRP 23 HE1 TRP 23 2.989 -26.964 -24.700 754 HE3 TRP 23 HE3 TRP 23 -1.346 -28.640 -22.063 755 HZ2 TRP 23 HZ2 TRP 23 1.110 -24.907 -24.269 756 HZ3 TRP 23 HZ3 TRP 23 -2.294 -26.374 -22.161 757 HH2 TRP 23 HH2 TRP 23 -1.091 -24.546 -23.244 758 H LYS 24 H LYS 24 -0.134 -31.159 -26.229 759 HA LYS 24 HA LYS 24 -2.451 -29.494 -25.781 760 HB2 LYS 24 HB2 LYS 24 -1.029 -30.441 -28.260 761 HB3 LYS 24 HB3 LYS 24 -2.549 -29.559 -28.341 762 HG2 LYS 24 HG2 LYS 24 -1.527 -27.673 -27.184 763 HG3 LYS 24 HG3 LYS 24 -0.005 -28.559 -27.075 764 HD2 LYS 24 HD2 LYS 24 0.230 -28.566 -29.465 765 HD3 LYS 24 HD3 LYS 24 -1.380 -27.879 -29.671 766 HE2 LYS 24 HE2 LYS 24 0.872 -26.481 -28.236 767 HE3 LYS 24 HE3 LYS 24 0.513 -26.262 -29.947 768 HZ1 LYS 24 HZ1 LYS 24 -0.508 -24.519 -28.673 769 HZ2 LYS 24 HZ2 LYS 24 -1.298 -25.639 -27.673 770 HZ3 LYS 24 HZ3 LYS 24 -1.723 -25.517 -29.315 771 H LEU 25 H LEU 25 -2.445 -32.381 -25.024 772 HA LEU 25 HA LEU 25 -4.338 -33.692 -26.729 773 HB2 LEU 25 HB2 LEU 25 -3.622 -34.277 -23.854 774 HB3 LEU 25 HB3 LEU 25 -4.488 -35.348 -24.935 775 HG LEU 25 HG LEU 25 -1.603 -34.498 -25.189 776 HD11 LEU 25 HD11 LEU 25 -2.862 -37.166 -24.575 777 HD12 LEU 25 HD12 LEU 25 -2.004 -36.136 -23.433 778 HD13 LEU 25 HD13 LEU 25 -1.140 -36.862 -24.785 779 HD21 LEU 25 HD21 LEU 25 -3.237 -36.322 -26.950 780 HD22 LEU 25 HD22 LEU 25 -1.503 -36.033 -27.085 781 HD23 LEU 25 HD23 LEU 25 -2.642 -34.720 -27.387 782 H LEU 26 H LEU 26 -4.473 -31.475 -24.089 783 HA LEU 26 HA LEU 26 -7.386 -31.724 -24.006 784 HB2 LEU 26 HB2 LEU 26 -6.975 -29.915 -22.114 785 HB3 LEU 26 HB3 LEU 26 -6.844 -31.634 -21.806 786 HG LEU 26 HG LEU 26 -4.303 -31.249 -22.341 787 HD11 LEU 26 HD11 LEU 26 -3.507 -29.059 -21.599 788 HD12 LEU 26 HD12 LEU 26 -5.173 -28.491 -21.500 789 HD13 LEU 26 HD13 LEU 26 -4.486 -28.939 -23.061 790 HD21 LEU 26 HD21 LEU 26 -5.182 -32.012 -20.211 791 HD22 LEU 26 HD22 LEU 26 -5.588 -30.354 -19.769 792 HD23 LEU 26 HD23 LEU 26 -3.900 -30.825 -19.969 793 HA PRO 27 HA PRO 27 -7.179 -28.386 -26.944 794 HB2 PRO 27 HB2 PRO 27 -10.098 -28.631 -27.015 795 HB3 PRO 27 HB3 PRO 27 -8.918 -28.905 -28.300 796 HG2 PRO 27 HG2 PRO 27 -10.284 -30.927 -27.150 797 HG3 PRO 27 HG3 PRO 27 -8.628 -31.119 -27.749 798 HD2 PRO 27 HD2 PRO 27 -9.590 -30.718 -24.941 799 HD3 PRO 27 HD3 PRO 27 -8.325 -31.806 -25.553 800 H GLU 28 H GLU 28 -6.598 -26.777 -25.524 801 HA GLU 28 HA GLU 28 -8.708 -25.350 -24.098 802 HB2 GLU 28 HB2 GLU 28 -5.699 -25.077 -24.159 803 HB3 GLU 28 HB3 GLU 28 -6.741 -23.923 -23.340 804 HG2 GLU 28 HG2 GLU 28 -6.711 -26.860 -22.715 805 HG3 GLU 28 HG3 GLU 28 -5.699 -25.673 -21.890 806 H ASN 29 H ASN 29 -8.392 -22.840 -24.273 807 HA ASN 29 HA ASN 29 -8.021 -22.166 -27.123 808 HB2 ASN 29 HB2 ASN 29 -9.789 -20.763 -25.103 809 HB3 ASN 29 HB3 ASN 29 -9.590 -20.306 -26.791 810 HD21 ASN 29 HD21 ASN 29 -11.146 -22.393 -24.569 811 HD22 ASN 29 HD22 ASN 29 -12.137 -23.243 -25.714 812 H ASN 30 H ASN 30 -7.618 -21.082 -23.810 813 HA ASN 30 HA ASN 30 -5.140 -19.749 -24.524 814 HB2 ASN 30 HB2 ASN 30 -5.781 -17.630 -23.422 815 HB3 ASN 30 HB3 ASN 30 -6.786 -17.950 -24.829 816 HD21 ASN 30 HD21 ASN 30 -7.245 -16.263 -22.492 817 HD22 ASN 30 HD22 ASN 30 -8.731 -16.817 -21.796 818 H VAL 31 H VAL 31 -5.948 -22.079 -23.021 819 HA VAL 31 HA VAL 31 -6.190 -23.020 -20.957 820 HB VAL 31 HB VAL 31 -4.104 -22.894 -19.594 821 HG11 VAL 31 HG11 VAL 31 -4.339 -24.540 -21.344 822 HG12 VAL 31 HG12 VAL 31 -2.677 -23.950 -21.304 823 HG13 VAL 31 HG13 VAL 31 -3.785 -23.380 -22.550 824 HG21 VAL 31 HG21 VAL 31 -2.160 -21.723 -20.506 825 HG22 VAL 31 HG22 VAL 31 -3.435 -20.598 -20.044 826 HG23 VAL 31 HG23 VAL 31 -3.180 -20.992 -21.744 827 H LEU 32 H LEU 32 -7.915 -21.234 -20.816 828 HA LEU 32 HA LEU 32 -7.510 -18.990 -19.170 829 HB2 LEU 32 HB2 LEU 32 -9.319 -19.296 -20.861 830 HB3 LEU 32 HB3 LEU 32 -10.096 -20.427 -19.772 831 HG LEU 32 HG LEU 32 -11.006 -18.036 -19.875 832 HD11 LEU 32 HD11 LEU 32 -11.697 -19.608 -18.163 833 HD12 LEU 32 HD12 LEU 32 -11.504 -17.996 -17.475 834 HD13 LEU 32 HD13 LEU 32 -10.268 -19.225 -17.206 835 HD21 LEU 32 HD21 LEU 32 -9.901 -16.412 -18.424 836 HD22 LEU 32 HD22 LEU 32 -8.875 -16.869 -19.782 837 HD23 LEU 32 HD23 LEU 32 -8.566 -17.535 -18.180 838 H SER 33 H SER 33 -7.239 -18.870 -17.090 839 HA SER 33 HA SER 33 -8.589 -20.801 -15.342 840 HB2 SER 33 HB2 SER 33 -6.199 -21.379 -15.436 841 HB3 SER 33 HB3 SER 33 -5.773 -19.723 -15.008 842 HG SER 33 HG SER 33 -6.039 -20.231 -12.997 843 HA PRO 34 HA PRO 34 -10.278 -17.105 -13.552 844 HB2 PRO 34 HB2 PRO 34 -10.452 -18.685 -11.055 845 HB3 PRO 34 HB3 PRO 34 -11.734 -17.889 -11.973 846 HG2 PRO 34 HG2 PRO 34 -11.476 -20.551 -11.977 847 HG3 PRO 34 HG3 PRO 34 -11.976 -19.665 -13.430 848 HD2 PRO 34 HD2 PRO 34 -9.302 -20.824 -12.745 849 HD3 PRO 34 HD3 PRO 34 -10.157 -20.803 -14.303 850 H LEU 35 H LEU 35 -8.781 -15.566 -13.207 851 HA LEU 35 HA LEU 35 -7.257 -15.668 -10.723 852 HB2 LEU 35 HB2 LEU 35 -5.754 -16.549 -12.455 853 HB3 LEU 35 HB3 LEU 35 -6.023 -15.112 -13.423 854 HG LEU 35 HG LEU 35 -4.957 -13.742 -11.663 855 HD11 LEU 35 HD11 LEU 35 -3.746 -14.819 -9.853 856 HD12 LEU 35 HD12 LEU 35 -4.347 -16.396 -10.366 857 HD13 LEU 35 HD13 LEU 35 -5.468 -15.180 -9.753 858 HD21 LEU 35 HD21 LEU 35 -2.661 -14.519 -12.062 859 HD22 LEU 35 HD22 LEU 35 -3.632 -14.533 -13.534 860 HD23 LEU 35 HD23 LEU 35 -3.296 -16.043 -12.688 861 HA PRO 36 HA PRO 36 -8.871 -11.493 -11.116 862 HB2 PRO 36 HB2 PRO 36 -8.869 -11.214 -8.308 863 HB3 PRO 36 HB3 PRO 36 -10.244 -11.622 -9.332 864 HG2 PRO 36 HG2 PRO 36 -9.012 -13.299 -7.449 865 HG3 PRO 36 HG3 PRO 36 -10.188 -13.782 -8.680 866 HD2 PRO 36 HD2 PRO 36 -7.228 -14.059 -8.673 867 HD3 PRO 36 HD3 PRO 36 -8.462 -15.077 -9.446 868 H SER 37 H SER 37 -7.251 -10.213 -11.806 869 HA SER 37 HA SER 37 -4.972 -9.702 -10.033 870 HB2 SER 37 HB2 SER 37 -5.416 -8.809 -12.897 871 HB3 SER 37 HB3 SER 37 -3.919 -8.662 -11.974 872 HG SER 37 HG SER 37 -4.825 -11.206 -11.946 873 H GLN 38 H GLN 38 -7.986 -8.561 -10.672 874 HA GLN 38 HA GLN 38 -7.683 -5.767 -10.730 875 HB2 GLN 38 HB2 GLN 38 -10.061 -5.726 -10.020 876 HB3 GLN 38 HB3 GLN 38 -9.768 -6.826 -11.362 877 HG2 GLN 38 HG2 GLN 38 -9.685 -8.699 -9.716 878 HG3 GLN 38 HG3 GLN 38 -10.171 -7.552 -8.469 879 HE21 GLN 38 HE21 GLN 38 -12.261 -6.736 -8.479 880 HE22 GLN 38 HE22 GLN 38 -13.535 -7.490 -9.381 881 H ALA 39 H ALA 39 -7.785 -8.063 -8.082 882 HA ALA 39 HA ALA 39 -7.084 -5.894 -6.244 883 HB1 ALA 39 HB1 ALA 39 -9.490 -6.311 -5.981 884 HB2 ALA 39 HB2 ALA 39 -8.583 -6.743 -4.532 885 HB3 ALA 39 HB3 ALA 39 -9.149 -8.005 -5.625 886 H MET 40 H MET 40 -4.965 -6.706 -6.473 887 HA MET 40 HA MET 40 -4.509 -9.071 -4.812 888 HB2 MET 40 HB2 MET 40 -2.586 -9.692 -6.256 889 HB3 MET 40 HB3 MET 40 -4.141 -9.832 -7.061 890 HG2 MET 40 HG2 MET 40 -3.728 -7.628 -8.117 891 HG3 MET 40 HG3 MET 40 -2.123 -7.625 -7.389 892 HE1 MET 40 HE1 MET 40 -2.702 -7.251 -10.483 893 HE2 MET 40 HE2 MET 40 -1.446 -8.260 -11.200 894 HE3 MET 40 HE3 MET 40 -1.073 -7.239 -9.809 895 H ASP 41 H ASP 41 -3.026 -6.212 -6.206 896 HA ASP 41 HA ASP 41 -1.254 -6.067 -3.854 897 HB2 ASP 41 HB2 ASP 41 0.007 -6.658 -5.860 898 HB3 ASP 41 HB3 ASP 41 -0.648 -5.260 -6.705 899 H ASP 42 H ASP 42 -2.969 -4.251 -6.316 900 HA ASP 42 HA ASP 42 -2.383 -1.653 -5.470 901 HB2 ASP 42 HB2 ASP 42 -3.301 -2.144 -7.669 902 HB3 ASP 42 HB3 ASP 42 -4.797 -2.721 -6.948 903 H LEU 43 H LEU 43 -4.164 -3.976 -3.871 904 HA LEU 43 HA LEU 43 -6.206 -2.549 -2.602 905 HB2 LEU 43 HB2 LEU 43 -4.476 -4.732 -1.439 906 HB3 LEU 43 HB3 LEU 43 -6.033 -4.218 -0.821 907 HG LEU 43 HG LEU 43 -5.631 -5.447 -3.544 908 HD11 LEU 43 HD11 LEU 43 -5.022 -7.066 -1.863 909 HD12 LEU 43 HD12 LEU 43 -6.607 -7.476 -2.518 910 HD13 LEU 43 HD13 LEU 43 -6.479 -6.706 -0.935 911 HD21 LEU 43 HD21 LEU 43 -7.619 -4.043 -3.338 912 HD22 LEU 43 HD22 LEU 43 -8.112 -4.938 -1.902 913 HD23 LEU 43 HD23 LEU 43 -8.054 -5.746 -3.468 914 H MET 44 H MET 44 -2.760 -2.816 -1.910 915 HA MET 44 HA MET 44 -3.046 -0.621 0.004 916 HB2 MET 44 HB2 MET 44 -1.137 -1.710 1.320 917 HB3 MET 44 HB3 MET 44 -2.754 -2.364 1.507 918 HG2 MET 44 HG2 MET 44 -0.729 -3.541 -0.371 919 HG3 MET 44 HG3 MET 44 -0.873 -4.016 1.319 920 HE1 MET 44 HE1 MET 44 -1.040 -6.239 -0.773 921 HE2 MET 44 HE2 MET 44 -2.560 -7.086 -0.475 922 HE3 MET 44 HE3 MET 44 -1.530 -6.633 0.880 923 H LEU 45 H LEU 45 -0.721 -2.441 -1.983 924 HA LEU 45 HA LEU 45 0.886 -0.002 -2.149 925 HB2 LEU 45 HB2 LEU 45 1.516 -2.861 -2.918 926 HB3 LEU 45 HB3 LEU 45 2.551 -1.511 -3.344 927 HG LEU 45 HG LEU 45 1.965 -2.605 -0.596 928 HD11 LEU 45 HD11 LEU 45 3.848 -3.601 -1.866 929 HD12 LEU 45 HD12 LEU 45 4.378 -2.754 -0.410 930 HD13 LEU 45 HD13 LEU 45 4.572 -1.996 -1.990 931 HD21 LEU 45 HD21 LEU 45 3.157 -0.725 0.342 932 HD22 LEU 45 HD22 LEU 45 1.723 -0.176 -0.530 933 HD23 LEU 45 HD23 LEU 45 3.317 -0.009 -1.260 934 H SER 46 H SER 46 0.032 1.312 -3.591 935 HA SER 46 HA SER 46 -1.255 0.201 -5.961 936 HB2 SER 46 HB2 SER 46 -1.248 3.024 -4.864 937 HB3 SER 46 HB3 SER 46 -2.236 2.435 -6.205 938 HG SER 46 HG SER 46 -3.018 0.831 -4.582 939 HA PRO 47 HA PRO 47 1.988 1.004 -8.904 940 HB2 PRO 47 HB2 PRO 47 -0.346 2.105 -10.419 941 HB3 PRO 47 HB3 PRO 47 0.934 1.017 -10.968 942 HG2 PRO 47 HG2 PRO 47 -1.466 0.068 -10.361 943 HG3 PRO 47 HG3 PRO 47 -0.002 -0.827 -9.916 944 HD2 PRO 47 HD2 PRO 47 -1.863 0.726 -8.199 945 HD3 PRO 47 HD3 PRO 47 -0.868 -0.687 -7.799 946 H ASP 48 H ASP 48 -0.403 3.439 -8.092 947 HA ASP 48 HA ASP 48 0.583 5.754 -9.150 948 HB2 ASP 48 HB2 ASP 48 -0.377 5.519 -6.289 949 HB3 ASP 48 HB3 ASP 48 -0.485 6.924 -7.340 950 H ASP 49 H ASP 49 1.600 4.205 -6.125 951 HA ASP 49 HA ASP 49 3.750 6.181 -5.863 952 HB2 ASP 49 HB2 ASP 49 2.513 4.289 -3.868 953 HB3 ASP 49 HB3 ASP 49 3.945 5.258 -3.528 954 H ILE 50 H ILE 50 3.174 2.715 -6.048 955 HA ILE 50 HA ILE 50 5.669 1.965 -4.975 956 HB ILE 50 HB ILE 50 5.209 -0.286 -5.748 957 HG12 ILE 50 HG12 ILE 50 2.843 0.951 -7.161 958 HG13 ILE 50 HG13 ILE 50 4.250 0.241 -7.946 959 HG21 ILE 50 HG21 ILE 50 4.181 0.488 -3.718 960 HG22 ILE 50 HG22 ILE 50 3.093 -0.606 -4.569 961 HG23 ILE 50 HG23 ILE 50 2.816 1.134 -4.626 962 HD11 ILE 50 HD11 ILE 50 2.360 -1.277 -7.986 963 HD12 ILE 50 HD12 ILE 50 2.259 -1.213 -6.224 964 HD13 ILE 50 HD13 ILE 50 3.671 -1.931 -7.003 965 H GLU 51 H GLU 51 4.841 2.908 -8.212 966 HA GLU 51 HA GLU 51 6.681 1.265 -9.527 967 HB2 GLU 51 HB2 GLU 51 5.304 3.809 -10.313 968 HB3 GLU 51 HB3 GLU 51 6.489 3.061 -11.368 969 HG2 GLU 51 HG2 GLU 51 5.128 0.964 -11.268 970 HG3 GLU 51 HG3 GLU 51 3.893 1.890 -10.415 971 H GLN 52 H GLN 52 7.318 3.778 -7.445 972 HA GLN 52 HA GLN 52 9.782 4.631 -8.711 973 HB2 GLN 52 HB2 GLN 52 8.752 5.200 -5.927 974 HB3 GLN 52 HB3 GLN 52 10.087 6.016 -6.729 975 HG2 GLN 52 HG2 GLN 52 7.218 6.077 -7.637 976 HG3 GLN 52 HG3 GLN 52 8.019 7.342 -6.708 977 HE21 GLN 52 HE21 GLN 52 7.695 5.825 -9.808 978 HE22 GLN 52 HE22 GLN 52 8.553 7.021 -10.709 979 H TRP 53 H TRP 53 8.719 2.258 -6.415 980 HA TRP 53 HA TRP 53 11.501 1.520 -5.851 981 HB2 TRP 53 HB2 TRP 53 10.350 0.881 -3.477 982 HB3 TRP 53 HB3 TRP 53 11.223 2.376 -3.782 983 HD1 TRP 53 HD1 TRP 53 9.682 4.578 -4.325 984 HE1 TRP 53 HE1 TRP 53 7.330 5.198 -3.493 985 HE3 TRP 53 HE3 TRP 53 8.132 -0.043 -2.771 986 HZ2 TRP 53 HZ2 TRP 53 5.127 3.910 -2.307 987 HZ3 TRP 53 HZ3 TRP 53 5.883 -0.254 -1.790 988 HH2 TRP 53 HH2 TRP 53 4.419 1.687 -1.564 989 H PHE 54 H PHE 54 8.134 0.431 -5.463 990 HA PHE 54 HA PHE 54 8.931 -2.358 -5.537 991 HB2 PHE 54 HB2 PHE 54 7.068 -1.555 -4.083 992 HB3 PHE 54 HB3 PHE 54 6.162 -1.121 -5.523 993 HD1 PHE 54 HD1 PHE 54 7.781 -4.028 -6.422 994 HD2 PHE 54 HD2 PHE 54 4.648 -2.669 -3.869 995 HE1 PHE 54 HE1 PHE 54 6.783 -6.271 -6.463 996 HE2 PHE 54 HE2 PHE 54 3.648 -4.915 -3.915 997 HZ PHE 54 HZ PHE 54 4.712 -6.717 -5.208 998 H THR 55 H THR 55 9.800 -2.678 -7.565 999 HA THR 55 HA THR 55 7.893 -2.507 -9.793 1000 HB THR 55 HB THR 55 10.021 -2.199 -11.236 1001 HG1 THR 55 HG1 THR 55 11.457 -0.766 -9.713 1002 HG21 THR 55 HG21 THR 55 9.028 0.028 -9.458 1003 HG22 THR 55 HG22 THR 55 8.305 -0.491 -10.982 1004 HG23 THR 55 HG23 THR 55 9.911 0.239 -10.970 1005 H GLU 56 H GLU 56 7.871 -4.185 -11.227 1006 HA GLU 56 HA GLU 56 9.534 -6.522 -10.571 1007 HB2 GLU 56 HB2 GLU 56 7.255 -7.109 -10.256 1008 HB3 GLU 56 HB3 GLU 56 6.757 -6.287 -11.725 1009 HG2 GLU 56 HG2 GLU 56 6.653 -8.655 -12.057 1010 HG3 GLU 56 HG3 GLU 56 7.943 -7.988 -13.053 1011 H ASP 57 H ASP 57 11.246 -6.448 -11.876 1012 HA ASP 57 HA ASP 57 10.728 -6.198 -14.759 1013 HB2 ASP 57 HB2 ASP 57 13.229 -5.305 -13.325 1014 HB3 ASP 57 HB3 ASP 57 12.952 -5.226 -15.056 1015 HA PRO 58 HA PRO 58 12.333 -10.331 -14.385 1016 HB2 PRO 58 HB2 PRO 58 11.292 -10.850 -17.003 1017 HB3 PRO 58 HB3 PRO 58 10.574 -11.280 -15.450 1018 HG2 PRO 58 HG2 PRO 58 9.502 -9.444 -17.209 1019 HG3 PRO 58 HG3 PRO 58 9.169 -9.480 -15.468 1020 HD2 PRO 58 HD2 PRO 58 11.106 -7.769 -16.993 1021 HD3 PRO 58 HD3 PRO 58 10.026 -7.315 -15.654 1022 H GLY 59 H GLY 59 13.973 -8.083 -15.526 1023 HA2 GLY 59 HA2 GLY 59 16.155 -8.204 -16.396 1024 HA3 GLY 59 HA3 GLY 59 15.750 -9.749 -17.134 1025 HA PRO 60 HA PRO 60 15.277 -6.858 -20.591 1026 HB2 PRO 60 HB2 PRO 60 17.099 -8.003 -22.233 1027 HB3 PRO 60 HB3 PRO 60 17.543 -6.854 -20.969 1028 HG2 PRO 60 HG2 PRO 60 18.057 -9.725 -21.115 1029 HG3 PRO 60 HG3 PRO 60 18.775 -8.516 -20.042 1030 HD2 PRO 60 HD2 PRO 60 16.599 -10.387 -19.515 1031 HD3 PRO 60 HD3 PRO 60 17.500 -9.367 -18.373 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 10.481 13.877 -9.629 2 H2 GLY 1 HT2 GLY 1 9.376 14.758 -10.571 3 H3 GLY 1 HT3 GLY 1 10.831 15.471 -10.080 4 HA2 GLY 1 HA3 GLY 1 10.968 14.842 -12.391 5 HA3 GLY 1 HA2 GLY 1 12.092 13.910 -11.411 6 H LYS 2 H LYS 2 12.145 12.232 -12.945 7 HA LYS 2 HA LYS 2 9.649 10.796 -13.457 8 HB2 LYS 2 HB2 LYS 2 11.290 11.264 -15.299 9 HB3 LYS 2 HB3 LYS 2 12.433 10.207 -14.487 10 HG2 LYS 2 HG2 LYS 2 11.364 9.018 -16.276 11 HG3 LYS 2 HG3 LYS 2 10.842 8.345 -14.729 12 HD2 LYS 2 HD2 LYS 2 8.759 9.593 -14.865 13 HD3 LYS 2 HD3 LYS 2 9.284 10.340 -16.374 14 HE2 LYS 2 HE2 LYS 2 7.759 8.537 -16.857 15 HE3 LYS 2 HE3 LYS 2 9.374 8.109 -17.414 16 HZ1 LYS 2 HZ1 LYS 2 8.293 6.262 -16.299 17 HZ2 LYS 2 HZ2 LYS 2 8.121 7.182 -14.883 18 HZ3 LYS 2 HZ3 LYS 2 9.666 6.755 -15.435 19 H GLY 3 H GLY 3 12.843 10.343 -12.030 20 HA2 GLY 3 HA2 GLY 3 11.721 8.267 -10.285 21 HA3 GLY 3 HA3 GLY 3 13.158 7.876 -11.224 22 H ASP 4 H ASP 4 11.899 10.339 -9.025 23 HA ASP 4 HA ASP 4 14.350 11.546 -8.394 24 HB2 ASP 4 HB2 ASP 4 11.856 11.383 -6.690 25 HB3 ASP 4 HB3 ASP 4 13.169 12.533 -6.482 26 HA PRO 5 HA PRO 5 15.799 8.268 -5.664 27 HB2 PRO 5 HB2 PRO 5 18.399 8.868 -5.777 28 HB3 PRO 5 HB3 PRO 5 17.569 8.137 -7.155 29 HG2 PRO 5 HG2 PRO 5 18.380 10.976 -6.721 30 HG3 PRO 5 HG3 PRO 5 18.393 10.018 -8.210 31 HD2 PRO 5 HD2 PRO 5 16.416 11.848 -7.468 32 HD3 PRO 5 HD3 PRO 5 16.249 10.591 -8.710 33 H LYS 6 H LYS 6 15.182 11.318 -5.046 34 HA LYS 6 HA LYS 6 16.478 11.299 -2.404 35 HB2 LYS 6 HB2 LYS 6 15.847 13.648 -4.183 36 HB3 LYS 6 HB3 LYS 6 16.354 13.795 -2.504 37 HG2 LYS 6 HG2 LYS 6 18.479 12.819 -2.993 38 HG3 LYS 6 HG3 LYS 6 17.974 12.431 -4.639 39 HD2 LYS 6 HD2 LYS 6 19.364 14.400 -4.654 40 HD3 LYS 6 HD3 LYS 6 17.713 14.825 -5.095 41 HE2 LYS 6 HE2 LYS 6 18.640 16.482 -3.578 42 HE3 LYS 6 HE3 LYS 6 17.308 15.616 -2.813 43 HZ1 LYS 6 HZ1 LYS 6 20.197 15.062 -2.384 44 HZ2 LYS 6 HZ2 LYS 6 18.909 14.256 -1.629 45 HZ3 LYS 6 HZ3 LYS 6 19.179 15.893 -1.309 46 H LYS 7 H LYS 7 13.904 10.299 -3.459 47 HA LYS 7 HA LYS 7 11.958 12.128 -2.253 48 HB2 LYS 7 HB2 LYS 7 11.696 11.491 -4.636 49 HB3 LYS 7 HB3 LYS 7 11.546 9.814 -4.144 50 HG2 LYS 7 HG2 LYS 7 9.520 10.398 -2.874 51 HG3 LYS 7 HG3 LYS 7 9.655 12.055 -3.471 52 HD2 LYS 7 HD2 LYS 7 9.566 11.156 -5.791 53 HD3 LYS 7 HD3 LYS 7 9.262 9.556 -5.117 54 HE2 LYS 7 HE2 LYS 7 7.227 10.412 -4.051 55 HE3 LYS 7 HE3 LYS 7 7.541 12.001 -4.752 56 HZ1 LYS 7 HZ1 LYS 7 7.450 10.916 -6.973 57 HZ2 LYS 7 HZ2 LYS 7 5.977 10.876 -6.137 58 HZ3 LYS 7 HZ3 LYS 7 6.939 9.480 -6.222 59 HA PRO 8 HA PRO 8 11.514 9.061 1.016 60 HB2 PRO 8 HB2 PRO 8 9.529 10.398 2.317 61 HB3 PRO 8 HB3 PRO 8 11.235 10.790 2.501 62 HG2 PRO 8 HG2 PRO 8 9.160 12.113 0.805 63 HG3 PRO 8 HG3 PRO 8 10.437 12.847 1.791 64 HD2 PRO 8 HD2 PRO 8 10.650 12.568 -0.897 65 HD3 PRO 8 HD3 PRO 8 12.057 12.490 0.186 66 H ARG 9 H ARG 9 9.743 7.613 1.647 67 HA ARG 9 HA ARG 9 8.440 6.921 -0.844 68 HB2 ARG 9 HB2 ARG 9 9.906 5.381 0.511 69 HB3 ARG 9 HB3 ARG 9 8.580 5.268 1.661 70 HG2 ARG 9 HG2 ARG 9 7.152 4.273 0.029 71 HG3 ARG 9 HG3 ARG 9 8.329 4.577 -1.253 72 HD2 ARG 9 HD2 ARG 9 8.799 2.812 1.136 73 HD3 ARG 9 HD3 ARG 9 8.319 2.238 -0.460 74 HE ARG 9 HE ARG 9 10.504 3.521 -1.116 75 HH11 ARG 9 HH11 ARG 9 9.927 1.587 1.724 76 HH12 ARG 9 HH12 ARG 9 11.568 1.000 1.835 77 HH21 ARG 9 HH21 ARG 9 12.675 2.751 -1.001 78 HH22 ARG 9 HH22 ARG 9 13.116 1.623 0.249 79 H GLY 10 H GLY 10 7.271 8.961 1.120 80 HA2 GLY 10 HA2 GLY 10 5.042 9.668 0.943 81 HA3 GLY 10 HA3 GLY 10 4.578 8.025 0.544 82 H LYS 11 H LYS 11 2.842 8.819 2.029 83 HA LYS 11 HA LYS 11 3.536 8.369 4.862 84 HB2 LYS 11 HB2 LYS 11 1.130 9.869 3.817 85 HB3 LYS 11 HB3 LYS 11 1.753 9.850 5.463 86 HG2 LYS 11 HG2 LYS 11 3.768 11.021 4.698 87 HG3 LYS 11 HG3 LYS 11 3.109 11.064 3.065 88 HD2 LYS 11 HD2 LYS 11 2.675 13.187 4.011 89 HD3 LYS 11 HD3 LYS 11 1.138 12.322 4.025 90 HE2 LYS 11 HE2 LYS 11 1.346 11.854 6.357 91 HE3 LYS 11 HE3 LYS 11 3.002 12.458 6.385 92 HZ1 LYS 11 HZ1 LYS 11 1.372 14.041 7.296 93 HZ2 LYS 11 HZ2 LYS 11 0.612 14.127 5.786 94 HZ3 LYS 11 HZ3 LYS 11 2.209 14.668 5.963 95 H MET 12 H MET 12 2.901 6.387 2.803 96 HA MET 12 HA MET 12 0.340 5.534 2.497 97 HB2 MET 12 HB2 MET 12 2.728 3.733 2.915 98 HB3 MET 12 HB3 MET 12 1.209 3.263 2.168 99 HG2 MET 12 HG2 MET 12 1.660 5.055 0.443 100 HG3 MET 12 HG3 MET 12 3.286 5.160 1.118 101 HE1 MET 12 HE1 MET 12 4.591 1.467 0.460 102 HE2 MET 12 HE2 MET 12 3.664 1.934 1.889 103 HE3 MET 12 HE3 MET 12 4.925 3.002 1.270 104 H SER 13 H SER 13 -0.955 3.908 3.401 105 HA SER 13 HA SER 13 -1.243 4.135 6.212 106 HB2 SER 13 HB2 SER 13 -2.626 2.153 4.396 107 HB3 SER 13 HB3 SER 13 -3.222 2.828 5.918 108 HG SER 13 HG SER 13 -4.006 3.758 3.816 109 H SER 14 H SER 14 -1.479 2.242 7.664 110 HA SER 14 HA SER 14 0.907 0.842 7.924 111 HB2 SER 14 HB2 SER 14 -0.690 1.327 9.752 112 HB3 SER 14 HB3 SER 14 -1.789 0.120 9.090 113 HG SER 14 HG SER 14 0.759 -0.260 10.246 114 H TYR 15 H TYR 15 -2.118 -0.165 6.398 115 HA TYR 15 HA TYR 15 -1.640 -2.880 6.041 116 HB2 TYR 15 HB2 TYR 15 -3.661 -1.313 5.386 117 HB3 TYR 15 HB3 TYR 15 -2.850 -1.259 3.828 118 HD1 TYR 15 HD2 TYR 15 -1.841 -4.227 4.035 119 HD2 TYR 15 HD1 TYR 15 -5.636 -2.367 4.553 120 HE1 TYR 15 HE2 TYR 15 -2.954 -6.331 3.414 121 HE2 TYR 15 HE1 TYR 15 -6.755 -4.464 3.930 122 HH TYR 15 HH TYR 15 -5.201 -7.420 3.825 123 H ALA 16 H ALA 16 -0.721 -0.153 3.965 124 HA ALA 16 HA ALA 16 0.668 -1.681 2.036 125 HB1 ALA 16 HB1 ALA 16 1.600 0.438 1.286 126 HB2 ALA 16 HB2 ALA 16 1.022 1.229 2.756 127 HB3 ALA 16 HB3 ALA 16 -0.132 0.584 1.586 128 H PHE 17 H PHE 17 1.629 -0.081 5.017 129 HA PHE 17 HA PHE 17 4.398 -0.358 4.760 130 HB2 PHE 17 HB2 PHE 17 2.510 0.134 6.975 131 HB3 PHE 17 HB3 PHE 17 4.070 -0.539 7.445 132 HD1 PHE 17 HD1 PHE 17 2.449 2.276 5.680 133 HD2 PHE 17 HD2 PHE 17 6.000 0.762 7.463 134 HE1 PHE 17 HE1 PHE 17 3.482 4.503 5.509 135 HE2 PHE 17 HE2 PHE 17 7.035 2.977 7.300 136 HZ PHE 17 HZ PHE 17 5.780 4.856 6.325 137 H PHE 18 H PHE 18 1.976 -2.566 6.090 138 HA PHE 18 HA PHE 18 3.594 -4.545 7.131 139 HB2 PHE 18 HB2 PHE 18 1.288 -4.777 7.490 140 HB3 PHE 18 HB3 PHE 18 0.912 -4.615 5.780 141 HD1 PHE 18 HD2 PHE 18 2.860 -6.892 8.020 142 HD2 PHE 18 HD1 PHE 18 0.258 -6.498 4.677 143 HE1 PHE 18 HE2 PHE 18 2.778 -9.341 7.797 144 HE2 PHE 18 HE1 PHE 18 0.174 -8.943 4.448 145 HZ PHE 18 HZ PHE 18 1.434 -10.367 6.006 146 H VAL 19 H VAL 19 2.269 -4.472 3.823 147 HA VAL 19 HA VAL 19 3.831 -6.644 2.909 148 HB VAL 19 HB VAL 19 2.462 -4.422 1.385 149 HG11 VAL 19 HG11 VAL 19 2.725 -5.781 -0.611 150 HG12 VAL 19 HG12 VAL 19 3.645 -6.975 0.302 151 HG13 VAL 19 HG13 VAL 19 4.302 -5.358 0.054 152 HG21 VAL 19 HG21 VAL 19 1.709 -7.304 1.840 153 HG22 VAL 19 HG22 VAL 19 0.782 -6.116 0.922 154 HG23 VAL 19 HG23 VAL 19 0.998 -5.917 2.662 155 H GLN 20 H GLN 20 4.306 -3.168 2.873 156 HA GLN 20 HA GLN 20 6.485 -2.983 1.149 157 HB2 GLN 20 HB2 GLN 20 5.244 -1.043 1.807 158 HB3 GLN 20 HB3 GLN 20 5.652 -1.291 3.497 159 HG2 GLN 20 HG2 GLN 20 8.040 -0.896 2.898 160 HG3 GLN 20 HG3 GLN 20 7.490 -0.449 1.280 161 HE21 GLN 20 HE21 GLN 20 5.556 0.247 4.056 162 HE22 GLN 20 HE22 GLN 20 5.794 1.955 4.053 163 H THR 21 H THR 21 6.522 -3.237 4.732 164 HA THR 21 HA THR 21 9.326 -3.009 4.930 165 HB THR 21 HB THR 21 7.895 -2.565 6.853 166 HG1 THR 21 HG1 THR 21 10.117 -3.348 7.136 167 HG21 THR 21 HG21 THR 21 6.855 -4.388 8.125 168 HG22 THR 21 HG22 THR 21 7.353 -5.535 6.879 169 HG23 THR 21 HG23 THR 21 6.185 -4.269 6.496 170 H CYS 22 H CYS 22 7.215 -5.851 4.700 171 HA CYS 22 HA CYS 22 9.344 -7.730 4.998 172 HB2 CYS 22 HB2 CYS 22 6.678 -8.176 3.643 173 HB3 CYS 22 HB3 CYS 22 7.717 -9.392 4.376 174 HG CYS 22 HG CYS 22 5.561 -7.248 5.839 175 H ARG 23 H ARG 23 8.159 -5.803 2.449 176 HA ARG 23 HA ARG 23 9.052 -7.474 0.287 177 HB2 ARG 23 HB2 ARG 23 7.085 -6.088 0.023 178 HB3 ARG 23 HB3 ARG 23 8.020 -4.642 0.368 179 HG2 ARG 23 HG2 ARG 23 9.235 -4.857 -1.665 180 HG3 ARG 23 HG3 ARG 23 8.528 -6.446 -1.976 181 HD2 ARG 23 HD2 ARG 23 7.018 -3.829 -1.861 182 HD3 ARG 23 HD3 ARG 23 7.449 -4.722 -3.323 183 HE ARG 23 HE ARG 23 5.225 -5.170 -1.670 184 HH11 ARG 23 HH11 ARG 23 7.675 -7.000 -3.398 185 HH12 ARG 23 HH12 ARG 23 6.611 -8.334 -3.704 186 HH21 ARG 23 HH21 ARG 23 3.843 -6.909 -2.108 187 HH22 ARG 23 HH22 ARG 23 4.436 -8.281 -2.978 188 H GLU 24 H GLU 24 10.024 -4.242 1.493 189 HA GLU 24 HA GLU 24 12.225 -4.102 -0.288 190 HB2 GLU 24 HB2 GLU 24 11.461 -2.017 0.384 191 HB3 GLU 24 HB3 GLU 24 11.384 -2.471 2.079 192 HG2 GLU 24 HG2 GLU 24 13.730 -2.329 2.324 193 HG3 GLU 24 HG3 GLU 24 13.985 -2.290 0.582 194 H GLU 25 H GLU 25 11.934 -5.142 3.088 195 HA GLU 25 HA GLU 25 14.647 -5.518 3.646 196 HB2 GLU 25 HB2 GLU 25 12.840 -5.800 5.310 197 HB3 GLU 25 HB3 GLU 25 12.321 -7.265 4.493 198 HG2 GLU 25 HG2 GLU 25 13.597 -7.822 6.439 199 HG3 GLU 25 HG3 GLU 25 14.481 -8.300 4.993 200 H HIS 26 H HIS 26 12.306 -7.601 2.039 201 HA HIS 26 HA HIS 26 14.008 -9.750 1.433 202 HB2 HIS 26 HB2 HIS 26 11.527 -9.771 1.289 203 HB3 HIS 26 HB3 HIS 26 11.619 -8.718 -0.110 204 HD1 HIS 26 HD1 HIS 26 10.157 -11.083 -0.724 205 HD2 HIS 26 HD2 HIS 26 14.299 -11.146 -0.801 206 HE1 HIS 26 HE1 HIS 26 10.787 -12.969 -2.263 207 HE2 HIS 26 HE2 HIS 26 13.279 -13.191 -2.007 208 H LYS 27 H LYS 27 13.199 -6.796 -0.362 209 HA LYS 27 HA LYS 27 14.636 -7.297 -2.703 210 HB2 LYS 27 HB2 LYS 27 13.079 -5.464 -2.593 211 HB3 LYS 27 HB3 LYS 27 13.996 -4.691 -1.308 212 HG2 LYS 27 HG2 LYS 27 14.353 -3.540 -3.400 213 HG3 LYS 27 HG3 LYS 27 15.848 -4.310 -2.872 214 HD2 LYS 27 HD2 LYS 27 15.547 -4.629 -5.258 215 HD3 LYS 27 HD3 LYS 27 15.411 -6.176 -4.420 216 HE2 LYS 27 HE2 LYS 27 13.693 -5.943 -6.141 217 HE3 LYS 27 HE3 LYS 27 12.981 -6.038 -4.530 218 HZ1 LYS 27 HZ1 LYS 27 12.807 -3.599 -4.560 219 HZ2 LYS 27 HZ2 LYS 27 11.899 -4.342 -5.770 220 HZ3 LYS 27 HZ3 LYS 27 13.363 -3.588 -6.164 221 H LYS 28 H LYS 28 15.693 -5.757 0.323 222 HA LYS 28 HA LYS 28 18.257 -5.019 -0.357 223 HB2 LYS 28 HB2 LYS 28 17.316 -6.188 2.250 224 HB3 LYS 28 HB3 LYS 28 18.831 -5.325 2.015 225 HG2 LYS 28 HG2 LYS 28 16.056 -4.217 1.697 226 HG3 LYS 28 HG3 LYS 28 17.218 -3.855 2.967 227 HD2 LYS 28 HD2 LYS 28 18.718 -2.842 1.363 228 HD3 LYS 28 HD3 LYS 28 17.617 -3.262 0.047 229 HE2 LYS 28 HE2 LYS 28 15.892 -1.852 1.051 230 HE3 LYS 28 HE3 LYS 28 17.001 -1.417 2.352 231 HZ1 LYS 28 HZ1 LYS 28 16.977 0.309 0.693 232 HZ2 LYS 28 HZ2 LYS 28 17.338 -0.799 -0.536 233 HZ3 LYS 28 HZ3 LYS 28 18.486 -0.459 0.661 234 H LYS 29 H LYS 29 17.090 -8.211 0.595 235 HA LYS 29 HA LYS 29 19.803 -9.276 0.482 236 HB2 LYS 29 HB2 LYS 29 17.196 -10.416 1.471 237 HB3 LYS 29 HB3 LYS 29 18.696 -11.337 1.428 238 HG2 LYS 29 HG2 LYS 29 19.722 -9.972 3.017 239 HG3 LYS 29 HG3 LYS 29 18.542 -8.683 2.798 240 HD2 LYS 29 HD2 LYS 29 16.839 -9.998 3.884 241 HD3 LYS 29 HD3 LYS 29 17.933 -11.381 3.995 242 HE2 LYS 29 HE2 LYS 29 17.716 -10.075 6.112 243 HE3 LYS 29 HE3 LYS 29 19.366 -10.216 5.513 244 HZ1 LYS 29 HZ1 LYS 29 18.942 -7.974 6.235 245 HZ2 LYS 29 HZ2 LYS 29 17.584 -7.848 5.227 246 HZ3 LYS 29 HZ3 LYS 29 19.137 -7.979 4.552 247 H HIS 30 H HIS 30 16.878 -9.335 -1.399 248 HA HIS 30 HA HIS 30 18.319 -10.983 -3.370 249 HB2 HIS 30 HB2 HIS 30 15.380 -11.182 -2.677 250 HB3 HIS 30 HB3 HIS 30 16.089 -11.887 -4.122 251 HD1 HIS 30 HD1 HIS 30 17.016 -14.203 -3.907 252 HD2 HIS 30 HD2 HIS 30 16.428 -12.367 -0.213 253 HE1 HIS 30 HE1 HIS 30 17.436 -15.980 -2.180 254 HE2 HIS 30 HE2 HIS 30 16.887 -14.901 0.028 255 HA PRO 31 HA PRO 31 17.249 -6.936 -5.152 256 HB2 PRO 31 HB2 PRO 31 19.682 -7.177 -6.699 257 HB3 PRO 31 HB3 PRO 31 19.300 -6.038 -5.407 258 HG2 PRO 31 HG2 PRO 31 21.155 -8.031 -5.170 259 HG3 PRO 31 HG3 PRO 31 20.265 -7.350 -3.797 260 HD2 PRO 31 HD2 PRO 31 19.785 -9.894 -5.301 261 HD3 PRO 31 HD3 PRO 31 19.682 -9.577 -3.554 262 H ASP 32 H ASP 32 18.209 -9.871 -6.852 263 HA ASP 32 HA ASP 32 17.186 -8.723 -9.350 264 HB2 ASP 32 HB2 ASP 32 19.017 -11.076 -8.873 265 HB3 ASP 32 HB3 ASP 32 18.387 -10.628 -10.456 266 H ALA 33 H ALA 33 15.755 -10.143 -7.008 267 HA ALA 33 HA ALA 33 14.369 -12.254 -8.458 268 HB1 ALA 33 HB1 ALA 33 13.079 -12.521 -6.370 269 HB2 ALA 33 HB2 ALA 33 13.909 -11.120 -5.689 270 HB3 ALA 33 HB3 ALA 33 14.818 -12.580 -6.079 271 H SER 34 H SER 34 11.969 -12.129 -8.743 272 HA SER 34 HA SER 34 10.869 -9.419 -8.624 273 HB2 SER 34 HB2 SER 34 10.830 -11.076 -11.158 274 HB3 SER 34 HB3 SER 34 10.059 -9.508 -10.932 275 HG SER 34 HG SER 34 12.476 -9.043 -10.233 276 H VAL 35 H VAL 35 9.093 -9.647 -7.425 277 HA VAL 35 HA VAL 35 7.763 -12.117 -7.006 278 HB VAL 35 HB VAL 35 5.961 -10.774 -5.903 279 HG11 VAL 35 HG11 VAL 35 7.345 -9.888 -4.053 280 HG12 VAL 35 HG12 VAL 35 8.780 -10.205 -5.031 281 HG13 VAL 35 HG13 VAL 35 7.747 -11.540 -4.521 282 HG21 VAL 35 HG21 VAL 35 7.702 -8.431 -6.622 283 HG22 VAL 35 HG22 VAL 35 6.298 -8.392 -5.555 284 HG23 VAL 35 HG23 VAL 35 6.094 -8.778 -7.265 285 H ASN 36 H ASN 36 5.770 -12.847 -7.692 286 HA ASN 36 HA ASN 36 4.544 -11.559 -9.976 287 HB2 ASN 36 HB2 ASN 36 3.773 -13.971 -8.325 288 HB3 ASN 36 HB3 ASN 36 2.778 -13.356 -9.640 289 HD21 ASN 36 HD21 ASN 36 5.709 -14.990 -8.777 290 HD22 ASN 36 HD22 ASN 36 6.116 -15.533 -10.370 291 H PHE 37 H PHE 37 3.145 -9.941 -9.781 292 HA PHE 37 HA PHE 37 2.606 -8.737 -7.332 293 HB2 PHE 37 HB2 PHE 37 1.555 -8.410 -10.100 294 HB3 PHE 37 HB3 PHE 37 0.699 -7.606 -8.792 295 HD1 PHE 37 HD1 PHE 37 4.112 -7.994 -10.236 296 HD2 PHE 37 HD2 PHE 37 1.395 -5.537 -8.066 297 HE1 PHE 37 HE1 PHE 37 5.739 -6.148 -10.295 298 HE2 PHE 37 HE2 PHE 37 3.016 -3.692 -8.119 299 HZ PHE 37 HZ PHE 37 5.192 -3.994 -9.224 300 H SER 38 H SER 38 0.400 -10.683 -9.343 301 HA SER 38 HA SER 38 -1.819 -10.480 -7.636 302 HB2 SER 38 HB2 SER 38 -1.166 -12.720 -9.566 303 HB3 SER 38 HB3 SER 38 -2.765 -12.292 -8.951 304 HG SER 38 HG SER 38 -2.638 -10.341 -10.051 305 H GLU 39 H GLU 39 0.890 -12.702 -7.657 306 HA GLU 39 HA GLU 39 -0.124 -14.648 -5.891 307 HB2 GLU 39 HB2 GLU 39 2.688 -13.736 -6.488 308 HB3 GLU 39 HB3 GLU 39 2.332 -15.079 -5.416 309 HG2 GLU 39 HG2 GLU 39 1.325 -15.006 -8.230 310 HG3 GLU 39 HG3 GLU 39 2.939 -15.593 -7.830 311 H PHE 40 H PHE 40 2.097 -11.967 -5.265 312 HA PHE 40 HA PHE 40 2.311 -12.467 -2.500 313 HB2 PHE 40 HB2 PHE 40 3.874 -11.176 -4.091 314 HB3 PHE 40 HB3 PHE 40 2.818 -9.802 -3.797 315 HD1 PHE 40 HD1 PHE 40 2.373 -9.358 -1.181 316 HD2 PHE 40 HD2 PHE 40 5.752 -11.363 -2.816 317 HE1 PHE 40 HE1 PHE 40 3.680 -8.789 0.827 318 HE2 PHE 40 HE2 PHE 40 7.062 -10.797 -0.811 319 HZ PHE 40 HZ PHE 40 6.025 -9.506 1.012 320 H SER 41 H SER 41 0.303 -10.211 -4.353 321 HA SER 41 HA SER 41 -0.555 -8.652 -2.190 322 HB2 SER 41 HB2 SER 41 -2.466 -8.047 -3.749 323 HB3 SER 41 HB3 SER 41 -0.841 -7.780 -4.381 324 HG SER 41 HG SER 41 -1.101 -9.365 -5.789 325 H LYS 42 H LYS 42 -2.184 -11.387 -3.798 326 HA LYS 42 HA LYS 42 -4.484 -11.344 -2.214 327 HB2 LYS 42 HB2 LYS 42 -4.369 -12.581 -4.313 328 HB3 LYS 42 HB3 LYS 42 -3.194 -13.691 -3.617 329 HG2 LYS 42 HG2 LYS 42 -4.879 -14.429 -1.989 330 HG3 LYS 42 HG3 LYS 42 -6.052 -13.342 -2.732 331 HD2 LYS 42 HD2 LYS 42 -5.830 -14.560 -4.847 332 HD3 LYS 42 HD3 LYS 42 -4.669 -15.653 -4.093 333 HE2 LYS 42 HE2 LYS 42 -6.866 -16.677 -4.155 334 HE3 LYS 42 HE3 LYS 42 -6.389 -16.355 -2.488 335 HZ1 LYS 42 HZ1 LYS 42 -8.274 -14.757 -4.137 336 HZ2 LYS 42 HZ2 LYS 42 -7.742 -14.309 -2.592 337 HZ3 LYS 42 HZ3 LYS 42 -8.662 -15.716 -2.794 338 H LYS 43 H LYS 43 -1.553 -13.347 -1.847 339 HA LYS 43 HA LYS 43 -2.595 -14.806 0.331 340 HB2 LYS 43 HB2 LYS 43 -0.385 -15.733 0.594 341 HB3 LYS 43 HB3 LYS 43 -0.767 -15.626 -1.116 342 HG2 LYS 43 HG2 LYS 43 0.622 -13.640 -1.316 343 HG3 LYS 43 HG3 LYS 43 0.977 -13.703 0.410 344 HD2 LYS 43 HD2 LYS 43 2.838 -14.672 -0.682 345 HD3 LYS 43 HD3 LYS 43 1.920 -16.012 0.007 346 HE2 LYS 43 HE2 LYS 43 0.839 -16.321 -2.222 347 HE3 LYS 43 HE3 LYS 43 1.936 -15.101 -2.869 348 HZ1 LYS 43 HZ1 LYS 43 2.983 -17.100 -3.346 349 HZ2 LYS 43 HZ2 LYS 43 2.554 -17.808 -1.866 350 HZ3 LYS 43 HZ3 LYS 43 3.761 -16.619 -1.915 351 H CYS 44 H CYS 44 -0.750 -11.821 0.184 352 HA CYS 44 HA CYS 44 -0.260 -11.912 3.047 353 HB2 CYS 44 HB2 CYS 44 0.581 -9.873 0.984 354 HB3 CYS 44 HB3 CYS 44 1.074 -9.876 2.676 355 HG CYS 44 HG CYS 44 2.185 -11.730 0.122 356 H SER 45 H SER 45 -2.453 -10.338 0.833 357 HA SER 45 HA SER 45 -3.179 -8.186 2.507 358 HB2 SER 45 HB2 SER 45 -5.317 -8.167 1.185 359 HB3 SER 45 HB3 SER 45 -3.858 -8.125 0.198 360 HG SER 45 HG SER 45 -4.197 -10.159 -0.441 361 H GLU 46 H GLU 46 -4.684 -11.382 2.056 362 HA GLU 46 HA GLU 46 -6.521 -11.080 4.195 363 HB2 GLU 46 HB2 GLU 46 -5.468 -13.585 2.873 364 HB3 GLU 46 HB3 GLU 46 -6.846 -13.520 3.964 365 HG2 GLU 46 HG2 GLU 46 -7.979 -11.993 2.400 366 HG3 GLU 46 HG3 GLU 46 -6.619 -12.156 1.294 367 H ARG 47 H ARG 47 -3.244 -12.269 3.969 368 HA ARG 47 HA ARG 47 -2.903 -13.399 6.486 369 HB2 ARG 47 HB2 ARG 47 -1.241 -13.325 4.601 370 HB3 ARG 47 HB3 ARG 47 -0.913 -11.654 5.027 371 HG2 ARG 47 HG2 ARG 47 -0.083 -12.343 7.198 372 HG3 ARG 47 HG3 ARG 47 -0.471 -14.028 6.826 373 HD2 ARG 47 HD2 ARG 47 1.041 -13.858 4.847 374 HD3 ARG 47 HD3 ARG 47 1.521 -12.261 5.413 375 HE ARG 47 HE ARG 47 2.351 -13.440 7.460 376 HH11 ARG 47 HH11 ARG 47 1.888 -15.215 4.485 377 HH12 ARG 47 HH12 ARG 47 3.209 -16.310 4.769 378 HH21 ARG 47 HH21 ARG 47 4.112 -14.876 7.856 379 HH22 ARG 47 HH22 ARG 47 4.461 -16.127 6.699 380 H TRP 48 H TRP 48 -2.804 -10.006 5.481 381 HA TRP 48 HA TRP 48 -2.196 -8.916 8.020 382 HB2 TRP 48 HB2 TRP 48 -1.851 -7.479 6.170 383 HB3 TRP 48 HB3 TRP 48 -3.465 -7.774 5.537 384 HD1 TRP 48 HD1 TRP 48 -5.475 -6.362 6.566 385 HE1 TRP 48 HE1 TRP 48 -5.545 -4.217 7.992 386 HE3 TRP 48 HE3 TRP 48 -0.578 -6.199 8.029 387 HZ2 TRP 48 HZ2 TRP 48 -3.760 -2.673 9.532 388 HZ3 TRP 48 HZ3 TRP 48 0.159 -4.358 9.480 389 HH2 TRP 48 HH2 TRP 48 -1.398 -2.628 10.215 390 H LYS 49 H LYS 49 -5.256 -9.515 6.347 391 HA LYS 49 HA LYS 49 -6.950 -8.145 8.077 392 HB2 LYS 49 HB2 LYS 49 -7.708 -10.688 6.645 393 HB3 LYS 49 HB3 LYS 49 -8.754 -9.342 7.079 394 HG2 LYS 49 HG2 LYS 49 -7.503 -7.917 5.473 395 HG3 LYS 49 HG3 LYS 49 -6.579 -9.341 5.001 396 HD2 LYS 49 HD2 LYS 49 -8.716 -10.462 4.392 397 HD3 LYS 49 HD3 LYS 49 -9.551 -8.940 4.711 398 HE2 LYS 49 HE2 LYS 49 -8.226 -7.837 3.000 399 HE3 LYS 49 HE3 LYS 49 -7.333 -9.327 2.708 400 HZ1 LYS 49 HZ1 LYS 49 -9.553 -10.337 2.127 401 HZ2 LYS 49 HZ2 LYS 49 -8.944 -9.197 1.037 402 HZ3 LYS 49 HZ3 LYS 49 -10.182 -8.761 2.114 403 H THR 50 H THR 50 -5.876 -11.517 8.200 404 HA THR 50 HA THR 50 -7.377 -11.901 10.683 405 HB THR 50 HB THR 50 -7.760 -13.587 9.002 406 HG1 THR 50 HG1 THR 50 -6.296 -14.346 11.295 407 HG21 THR 50 HG21 THR 50 -5.741 -13.396 7.695 408 HG22 THR 50 HG22 THR 50 -5.932 -15.070 8.229 409 HG23 THR 50 HG23 THR 50 -4.773 -14.013 9.036 410 H MET 51 H MET 51 -4.622 -10.523 10.208 411 HA MET 51 HA MET 51 -2.731 -12.118 11.645 412 HB2 MET 51 HB2 MET 51 -2.127 -10.303 10.019 413 HB3 MET 51 HB3 MET 51 -2.698 -9.125 11.193 414 HG2 MET 51 HG2 MET 51 -0.997 -10.321 12.774 415 HG3 MET 51 HG3 MET 51 -0.270 -10.848 11.258 416 HE1 MET 51 HE1 MET 51 0.352 -9.053 9.304 417 HE2 MET 51 HE2 MET 51 0.381 -7.311 9.572 418 HE3 MET 51 HE3 MET 51 -1.158 -8.168 9.511 419 H SER 52 H SER 52 -1.873 -11.661 13.763 420 HA SER 52 HA SER 52 -3.631 -11.057 15.828 421 HB2 SER 52 HB2 SER 52 -0.651 -10.574 15.948 422 HB3 SER 52 HB3 SER 52 -1.720 -11.123 17.239 423 HG SER 52 HG SER 52 -1.175 -13.061 16.635 424 H ALA 53 H ALA 53 -4.317 -9.198 16.743 425 HA ALA 53 HA ALA 53 -4.208 -6.816 15.279 426 HB1 ALA 53 HB1 ALA 53 -6.044 -7.419 16.781 427 HB2 ALA 53 HB2 ALA 53 -5.411 -5.809 17.128 428 HB3 ALA 53 HB3 ALA 53 -4.985 -7.168 18.170 429 H LYS 54 H LYS 54 -2.227 -7.931 17.940 430 HA LYS 54 HA LYS 54 -1.116 -5.377 18.554 431 HB2 LYS 54 HB2 LYS 54 -0.590 -8.181 19.373 432 HB3 LYS 54 HB3 LYS 54 0.715 -7.024 19.587 433 HG2 LYS 54 HG2 LYS 54 -0.731 -7.330 21.589 434 HG3 LYS 54 HG3 LYS 54 -0.618 -5.665 21.024 435 HD2 LYS 54 HD2 LYS 54 -2.783 -5.887 19.913 436 HD3 LYS 54 HD3 LYS 54 -2.888 -7.568 20.441 437 HE2 LYS 54 HE2 LYS 54 -2.714 -5.185 22.279 438 HE3 LYS 54 HE3 LYS 54 -4.208 -6.015 21.846 439 HZ1 LYS 54 HZ1 LYS 54 -3.223 -8.064 22.794 440 HZ2 LYS 54 HZ2 LYS 54 -3.464 -6.835 23.937 441 HZ3 LYS 54 HZ3 LYS 54 -1.905 -7.146 23.347 442 H GLU 55 H GLU 55 -0.203 -8.005 16.400 443 HA GLU 55 HA GLU 55 2.303 -6.853 15.683 444 HB2 GLU 55 HB2 GLU 55 0.563 -8.959 14.424 445 HB3 GLU 55 HB3 GLU 55 2.000 -8.358 13.608 446 HG2 GLU 55 HG2 GLU 55 1.938 -9.636 16.332 447 HG3 GLU 55 HG3 GLU 55 2.442 -10.417 14.833 448 H LYS 56 H LYS 56 -0.976 -6.695 14.346 449 HA LYS 56 HA LYS 56 -0.530 -5.022 12.179 450 HB2 LYS 56 HB2 LYS 56 -2.834 -4.969 14.143 451 HB3 LYS 56 HB3 LYS 56 -2.831 -4.156 12.585 452 HG2 LYS 56 HG2 LYS 56 -2.664 -6.292 11.447 453 HG3 LYS 56 HG3 LYS 56 -2.614 -7.133 12.998 454 HD2 LYS 56 HD2 LYS 56 -4.852 -6.246 13.528 455 HD3 LYS 56 HD3 LYS 56 -4.897 -5.451 11.952 456 HE2 LYS 56 HE2 LYS 56 -4.698 -7.635 10.860 457 HE3 LYS 56 HE3 LYS 56 -4.681 -8.420 12.438 458 HZ1 LYS 56 HZ1 LYS 56 -6.916 -7.610 12.840 459 HZ2 LYS 56 HZ2 LYS 56 -6.864 -8.496 11.398 460 HZ3 LYS 56 HZ3 LYS 56 -6.926 -6.806 11.343 461 H GLY 57 H GLY 57 -0.906 -4.240 15.605 462 HA2 GLY 57 HA2 GLY 57 -0.739 -1.434 15.383 463 HA3 GLY 57 HA3 GLY 57 -0.380 -2.370 16.828 464 H LYS 58 H LYS 58 1.730 -3.917 15.507 465 HA LYS 58 HA LYS 58 3.953 -2.258 16.002 466 HB2 LYS 58 HB2 LYS 58 3.987 -4.744 16.104 467 HB3 LYS 58 HB3 LYS 58 3.841 -4.793 14.353 468 HG2 LYS 58 HG2 LYS 58 5.986 -3.517 14.225 469 HG3 LYS 58 HG3 LYS 58 6.150 -3.741 15.969 470 HD2 LYS 58 HD2 LYS 58 7.401 -5.484 14.986 471 HD3 LYS 58 HD3 LYS 58 5.892 -6.228 15.518 472 HE2 LYS 58 HE2 LYS 58 5.027 -5.880 13.169 473 HE3 LYS 58 HE3 LYS 58 6.670 -5.429 12.721 474 HZ1 LYS 58 HZ1 LYS 58 5.735 -8.054 13.747 475 HZ2 LYS 58 HZ2 LYS 58 7.378 -7.631 13.636 476 HZ3 LYS 58 HZ3 LYS 58 6.431 -7.709 12.231 477 H PHE 59 H PHE 59 2.369 -3.281 12.998 478 HA PHE 59 HA PHE 59 4.162 -1.881 11.285 479 HB2 PHE 59 HB2 PHE 59 1.343 -2.856 10.772 480 HB3 PHE 59 HB3 PHE 59 2.444 -2.255 9.535 481 HD1 PHE 59 HD2 PHE 59 4.618 -3.502 9.159 482 HD2 PHE 59 HD1 PHE 59 1.407 -5.092 11.447 483 HE1 PHE 59 HE2 PHE 59 5.562 -5.762 8.910 484 HE2 PHE 59 HE1 PHE 59 2.345 -7.351 11.204 485 HZ PHE 59 HZ PHE 59 4.425 -7.689 9.937 486 H GLU 60 H GLU 60 1.192 -1.071 12.931 487 HA GLU 60 HA GLU 60 0.748 1.441 11.693 488 HB2 GLU 60 HB2 GLU 60 -1.014 0.309 12.912 489 HB3 GLU 60 HB3 GLU 60 -0.071 0.350 14.391 490 HG2 GLU 60 HG2 GLU 60 -1.820 2.005 14.462 491 HG3 GLU 60 HG3 GLU 60 -0.239 2.786 14.429 492 H ASP 61 H ASP 61 2.576 0.412 14.532 493 HA ASP 61 HA ASP 61 3.401 2.942 15.426 494 HB2 ASP 61 HB2 ASP 61 3.776 1.121 16.891 495 HB3 ASP 61 HB3 ASP 61 4.620 0.195 15.653 496 H MET 62 H MET 62 4.991 0.645 13.231 497 HA MET 62 HA MET 62 7.202 2.290 12.639 498 HB2 MET 62 HB2 MET 62 5.947 0.059 11.035 499 HB3 MET 62 HB3 MET 62 7.482 0.828 10.629 500 HG2 MET 62 HG2 MET 62 8.359 0.117 12.835 501 HG3 MET 62 HG3 MET 62 6.849 -0.748 13.115 502 HE1 MET 62 HE1 MET 62 6.962 -3.385 10.175 503 HE2 MET 62 HE2 MET 62 6.169 -1.809 10.248 504 HE3 MET 62 HE3 MET 62 6.085 -2.906 11.628 505 H ALA 63 H ALA 63 3.993 2.048 11.242 506 HA ALA 63 HA ALA 63 4.295 3.568 8.951 507 HB1 ALA 63 HB1 ALA 63 2.222 2.425 9.498 508 HB2 ALA 63 HB2 ALA 63 1.913 4.135 9.198 509 HB3 ALA 63 HB3 ALA 63 1.946 3.521 10.853 510 H LYS 64 H LYS 64 3.725 4.649 12.278 511 HA LYS 64 HA LYS 64 3.660 7.419 11.659 512 HB2 LYS 64 HB2 LYS 64 4.269 6.016 14.265 513 HB3 LYS 64 HB3 LYS 64 3.972 7.741 14.099 514 HG2 LYS 64 HG2 LYS 64 1.714 7.256 13.276 515 HG3 LYS 64 HG3 LYS 64 2.023 5.530 13.496 516 HD2 LYS 64 HD2 LYS 64 2.387 5.909 15.890 517 HD3 LYS 64 HD3 LYS 64 2.067 7.629 15.666 518 HE2 LYS 64 HE2 LYS 64 0.109 6.471 16.538 519 HE3 LYS 64 HE3 LYS 64 -0.196 7.117 14.926 520 HZ1 LYS 64 HZ1 LYS 64 -0.129 5.008 13.980 521 HZ2 LYS 64 HZ2 LYS 64 -0.943 4.744 15.447 522 HZ3 LYS 64 HZ3 LYS 64 0.688 4.331 15.300 523 H ALA 65 H ALA 65 6.223 5.217 12.675 524 HA ALA 65 HA ALA 65 8.213 7.135 13.166 525 HB1 ALA 65 HB1 ALA 65 9.796 5.291 12.975 526 HB2 ALA 65 HB2 ALA 65 8.553 4.288 12.225 527 HB3 ALA 65 HB3 ALA 65 8.375 4.806 13.902 528 H ASP 66 H ASP 66 7.510 5.242 10.238 529 HA ASP 66 HA ASP 66 9.526 6.520 8.684 530 HB2 ASP 66 HB2 ASP 66 7.196 4.747 8.017 531 HB3 ASP 66 HB3 ASP 66 8.141 5.507 6.744 532 H LYS 67 H LYS 67 6.078 7.106 9.187 533 HA LYS 67 HA LYS 67 5.744 9.033 7.153 534 HB2 LYS 67 HB2 LYS 67 3.825 8.022 8.287 535 HB3 LYS 67 HB3 LYS 67 4.291 8.799 9.795 536 HG2 LYS 67 HG2 LYS 67 3.957 10.996 8.733 537 HG3 LYS 67 HG3 LYS 67 3.410 10.178 7.268 538 HD2 LYS 67 HD2 LYS 67 1.511 10.904 8.574 539 HD3 LYS 67 HD3 LYS 67 1.590 9.143 8.558 540 HE2 LYS 67 HE2 LYS 67 1.070 9.812 10.783 541 HE3 LYS 67 HE3 LYS 67 2.743 9.258 10.776 542 HZ1 LYS 67 HZ1 LYS 67 1.760 12.056 10.868 543 HZ2 LYS 67 HZ2 LYS 67 3.378 11.668 10.558 544 HZ3 LYS 67 HZ3 LYS 67 2.668 11.236 12.041 545 H ALA 68 H ALA 68 6.579 9.390 10.595 546 HA ALA 68 HA ALA 68 6.792 12.196 10.593 547 HB1 ALA 68 HB1 ALA 68 8.136 11.916 12.628 548 HB2 ALA 68 HB2 ALA 68 8.269 10.188 12.298 549 HB3 ALA 68 HB3 ALA 68 6.697 10.898 12.657 550 H ARG 69 H ARG 69 9.109 9.641 9.814 551 HA ARG 69 HA ARG 69 11.333 11.339 9.407 552 HB2 ARG 69 HB2 ARG 69 11.385 8.801 9.577 553 HB3 ARG 69 HB3 ARG 69 10.794 8.765 7.921 554 HG2 ARG 69 HG2 ARG 69 12.817 10.199 7.337 555 HG3 ARG 69 HG3 ARG 69 13.436 9.774 8.934 556 HD2 ARG 69 HD2 ARG 69 14.380 8.218 7.429 557 HD3 ARG 69 HD3 ARG 69 13.097 7.356 8.279 558 HE ARG 69 HE ARG 69 12.822 8.440 5.544 559 HH11 ARG 69 HH11 ARG 69 12.208 5.983 7.945 560 HH12 ARG 69 HH12 ARG 69 11.202 5.015 6.900 561 HH21 ARG 69 HH21 ARG 69 11.566 7.157 4.128 562 HH22 ARG 69 HH22 ARG 69 10.847 5.680 4.719 563 H TYR 70 H TYR 70 8.786 10.121 7.253 564 HA TYR 70 HA TYR 70 9.591 11.297 4.878 565 HB2 TYR 70 HB2 TYR 70 7.769 9.762 4.812 566 HB3 TYR 70 HB3 TYR 70 6.854 10.682 6.000 567 HD1 TYR 70 HD2 TYR 70 5.789 12.842 5.328 568 HD2 TYR 70 HD1 TYR 70 7.643 10.278 2.494 569 HE1 TYR 70 HE2 TYR 70 4.639 14.021 3.514 570 HE2 TYR 70 HE1 TYR 70 6.510 11.454 0.675 571 HH TYR 70 HH TYR 70 4.408 12.812 0.391 572 H GLU 71 H GLU 71 7.456 12.599 7.402 573 HA GLU 71 HA GLU 71 6.881 15.025 6.159 574 HB2 GLU 71 HB2 GLU 71 6.920 14.229 9.074 575 HB3 GLU 71 HB3 GLU 71 6.253 15.739 8.482 576 HG2 GLU 71 HG2 GLU 71 4.630 14.533 7.137 577 HG3 GLU 71 HG3 GLU 71 5.327 13.000 7.653 578 H ARG 72 H ARG 72 9.518 14.121 8.323 579 HA ARG 72 HA ARG 72 10.626 16.761 8.448 580 HB2 ARG 72 HB2 ARG 72 11.766 14.048 9.127 581 HB3 ARG 72 HB3 ARG 72 12.637 15.554 9.373 582 HG2 ARG 72 HG2 ARG 72 10.020 14.802 10.663 583 HG3 ARG 72 HG3 ARG 72 11.611 14.777 11.433 584 HD2 ARG 72 HD2 ARG 72 11.443 17.318 10.372 585 HD3 ARG 72 HD3 ARG 72 9.804 17.004 10.947 586 HE ARG 72 HE ARG 72 11.012 16.342 13.115 587 HH11 ARG 72 HH11 ARG 72 12.100 18.830 10.895 588 HH12 ARG 72 HH12 ARG 72 12.918 19.754 12.127 589 HH21 ARG 72 HH21 ARG 72 12.113 17.550 14.739 590 HH22 ARG 72 HH22 ARG 72 12.927 19.018 14.299 591 H GLU 73 H GLU 73 11.432 13.815 6.638 592 HA GLU 73 HA GLU 73 13.699 14.867 5.331 593 HB2 GLU 73 HB2 GLU 73 13.422 12.494 5.501 594 HB3 GLU 73 HB3 GLU 73 11.872 12.556 4.677 595 HG2 GLU 73 HG2 GLU 73 12.887 13.024 2.599 596 HG3 GLU 73 HG3 GLU 73 14.449 13.344 3.358 597 H MET 74 H MET 74 10.310 14.576 4.306 598 HA MET 74 HA MET 74 10.639 15.670 1.736 599 HB2 MET 74 HB2 MET 74 8.615 14.479 2.307 600 HB3 MET 74 HB3 MET 74 8.238 15.636 3.574 601 HG2 MET 74 HG2 MET 74 6.833 16.009 1.654 602 HG3 MET 74 HG3 MET 74 7.919 17.376 1.889 603 HE1 MET 74 HE1 MET 74 8.379 14.194 -1.426 604 HE2 MET 74 HE2 MET 74 7.041 14.248 -0.278 605 HE3 MET 74 HE3 MET 74 8.664 13.837 0.277 606 H LYS 75 H LYS 75 10.314 17.152 4.890 607 HA LYS 75 HA LYS 75 9.801 19.775 3.990 608 HB2 LYS 75 HB2 LYS 75 9.524 18.881 6.351 609 HB3 LYS 75 HB3 LYS 75 11.269 19.032 6.518 610 HG2 LYS 75 HG2 LYS 75 10.104 20.953 7.459 611 HG3 LYS 75 HG3 LYS 75 11.124 21.411 6.091 612 HD2 LYS 75 HD2 LYS 75 9.138 21.333 4.626 613 HD3 LYS 75 HD3 LYS 75 8.139 20.985 6.037 614 HE2 LYS 75 HE2 LYS 75 9.824 23.459 5.671 615 HE3 LYS 75 HE3 LYS 75 8.086 23.367 5.390 616 HZ1 LYS 75 HZ1 LYS 75 7.757 22.827 7.711 617 HZ2 LYS 75 HZ2 LYS 75 8.615 24.283 7.568 618 HZ3 LYS 75 HZ3 LYS 75 9.432 22.859 7.993 619 H THR 76 H THR 76 12.764 17.949 4.564 620 HA THR 76 HA THR 76 14.432 20.222 3.887 621 HB THR 76 HB THR 76 16.317 18.651 4.120 622 HG1 THR 76 HG1 THR 76 14.383 16.805 3.827 623 HG21 THR 76 HG21 THR 76 15.510 19.837 6.089 624 HG22 THR 76 HG22 THR 76 16.057 18.218 6.527 625 HG23 THR 76 HG23 THR 76 14.333 18.559 6.389 626 H TYR 77 H TYR 77 12.790 17.772 2.226 627 HA TYR 77 HA TYR 77 14.614 17.796 -0.040 628 HB2 TYR 77 HB2 TYR 77 13.618 15.646 0.576 629 HB3 TYR 77 HB3 TYR 77 12.001 16.320 0.377 630 HD1 TYR 77 HD1 TYR 77 14.940 16.846 -1.818 631 HD2 TYR 77 HD2 TYR 77 11.121 15.000 -1.412 632 HE1 TYR 77 HE1 TYR 77 14.990 16.235 -4.193 633 HE2 TYR 77 HE2 TYR 77 11.170 14.381 -3.787 634 HH TYR 77 HH TYR 77 12.255 15.055 -5.862 635 H ILE 78 H ILE 78 14.405 19.190 -1.646 636 HA ILE 78 HA ILE 78 11.744 20.332 -2.109 637 HB ILE 78 HB ILE 78 14.396 21.648 -2.737 638 HG12 ILE 78 HG12 ILE 78 13.412 23.376 -1.043 639 HG13 ILE 78 HG13 ILE 78 12.430 22.025 -0.491 640 HG21 ILE 78 HG21 ILE 78 12.686 22.238 -4.349 641 HG22 ILE 78 HG22 ILE 78 13.034 23.616 -3.303 642 HG23 ILE 78 HG23 ILE 78 11.573 22.661 -3.048 643 HD11 ILE 78 HD11 ILE 78 14.448 20.762 0.029 644 HD12 ILE 78 HD12 ILE 78 14.418 22.306 0.879 645 HD13 ILE 78 HD13 ILE 78 15.440 22.104 -0.543 646 HA PRO 79 HA PRO 79 12.488 17.809 -5.821 647 HB2 PRO 79 HB2 PRO 79 9.831 17.573 -6.389 648 HB3 PRO 79 HB3 PRO 79 10.674 16.511 -5.256 649 HG2 PRO 79 HG2 PRO 79 8.964 18.901 -4.697 650 HG3 PRO 79 HG3 PRO 79 9.004 17.333 -3.867 651 HD2 PRO 79 HD2 PRO 79 10.226 19.518 -2.863 652 HD3 PRO 79 HD3 PRO 79 10.882 17.884 -2.647 653 HA PRO 80 HA PRO 80 12.280 21.062 -8.857 654 HB2 PRO 80 HB2 PRO 80 11.500 18.840 -10.682 655 HB3 PRO 80 HB3 PRO 80 12.788 20.038 -10.855 656 HG2 PRO 80 HG2 PRO 80 13.362 17.528 -10.189 657 HG3 PRO 80 HG3 PRO 80 14.229 18.885 -9.447 658 HD2 PRO 80 HD2 PRO 80 12.063 17.172 -8.310 659 HD3 PRO 80 HD3 PRO 80 13.493 17.860 -7.514 660 H LYS 81 H LYS 81 10.685 22.342 -9.708 661 HA LYS 81 HA LYS 81 7.992 21.660 -9.004 662 HB2 LYS 81 HB2 LYS 81 8.848 23.973 -8.796 663 HB3 LYS 81 HB3 LYS 81 9.000 24.062 -10.544 664 HG2 LYS 81 HG2 LYS 81 6.976 25.180 -9.747 665 HG3 LYS 81 HG3 LYS 81 6.598 23.810 -10.793 666 HD2 LYS 81 HD2 LYS 81 5.089 23.723 -8.953 667 HD3 LYS 81 HD3 LYS 81 6.273 22.437 -8.718 668 HE2 LYS 81 HE2 LYS 81 5.935 23.506 -6.611 669 HE3 LYS 81 HE3 LYS 81 7.528 23.978 -7.199 670 HZ1 LYS 81 HZ1 LYS 81 5.061 25.619 -7.418 671 HZ2 LYS 81 HZ2 LYS 81 6.610 26.084 -7.924 672 HZ3 LYS 81 HZ3 LYS 81 6.292 25.849 -6.277 673 H GLY 82 H GLY 82 7.538 19.869 -10.220 674 HA2 GLY 82 HA2 GLY 82 6.447 20.481 -12.836 675 HA3 GLY 82 HA3 GLY 82 7.717 19.262 -12.824 676 H GLU 83 H GLU 83 7.387 17.312 -11.665 677 HA GLU 83 HA GLU 83 5.044 16.705 -10.224 678 HB2 GLU 83 HB2 GLU 83 3.931 15.182 -11.795 679 HB3 GLU 83 HB3 GLU 83 3.925 16.834 -12.391 680 HG2 GLU 83 HG2 GLU 83 5.831 16.286 -13.849 681 HG3 GLU 83 HG3 GLU 83 5.744 14.617 -13.288 682 H LEU 14 H LEU 14 -26.175 -36.401 -17.307 683 HA LEU 14 HA LEU 14 -25.705 -37.926 -19.618 684 HB2 LEU 14 HB2 LEU 14 -27.934 -35.903 -19.852 685 HB3 LEU 14 HB3 LEU 14 -27.138 -36.668 -21.213 686 HG LEU 14 HG LEU 14 -28.747 -38.113 -19.104 687 HD11 LEU 14 HD11 LEU 14 -30.388 -38.447 -20.872 688 HD12 LEU 14 HD12 LEU 14 -29.409 -37.481 -21.975 689 HD13 LEU 14 HD13 LEU 14 -30.139 -36.728 -20.558 690 HD21 LEU 14 HD21 LEU 14 -26.987 -39.518 -19.977 691 HD22 LEU 14 HD22 LEU 14 -27.425 -39.089 -21.630 692 HD23 LEU 14 HD23 LEU 14 -28.539 -40.032 -20.640 693 H SER 15 H SER 15 -24.737 -36.605 -21.382 694 HA SER 15 HA SER 15 -23.176 -34.457 -20.151 695 HB2 SER 15 HB2 SER 15 -21.995 -36.398 -21.192 696 HB3 SER 15 HB3 SER 15 -22.700 -35.957 -22.745 697 HG SER 15 HG SER 15 -20.832 -34.914 -22.853 698 H GLN 16 H GLN 16 -25.424 -35.130 -22.732 699 HA GLN 16 HA GLN 16 -26.372 -33.896 -24.370 700 HB2 GLN 16 HB2 GLN 16 -26.033 -31.853 -22.199 701 HB3 GLN 16 HB3 GLN 16 -26.678 -31.382 -23.765 702 HG2 GLN 16 HG2 GLN 16 -28.445 -33.092 -23.510 703 HG3 GLN 16 HG3 GLN 16 -27.824 -33.441 -21.898 704 HE21 GLN 16 HE21 GLN 16 -29.863 -32.878 -21.046 705 HE22 GLN 16 HE22 GLN 16 -30.328 -31.212 -20.871 706 H GLU 17 H GLU 17 -24.609 -34.387 -25.697 707 HA GLU 17 HA GLU 17 -22.190 -32.956 -25.793 708 HB2 GLU 17 HB2 GLU 17 -23.452 -34.513 -28.050 709 HB3 GLU 17 HB3 GLU 17 -21.739 -34.223 -27.781 710 HG2 GLU 17 HG2 GLU 17 -21.692 -35.678 -25.916 711 HG3 GLU 17 HG3 GLU 17 -23.453 -35.772 -25.866 712 H THR 18 H THR 18 -24.846 -32.985 -28.164 713 HA THR 18 HA THR 18 -23.848 -30.861 -29.703 714 HB THR 18 HB THR 18 -26.325 -30.746 -30.471 715 HG1 THR 18 HG1 THR 18 -27.642 -31.978 -29.370 716 HG21 THR 18 HG21 THR 18 -26.036 -32.819 -31.780 717 HG22 THR 18 HG22 THR 18 -24.672 -33.254 -30.750 718 HG23 THR 18 HG23 THR 18 -24.585 -31.818 -31.771 719 H PHE 19 H PHE 19 -26.005 -30.952 -26.935 720 HA PHE 19 HA PHE 19 -26.918 -28.286 -27.102 721 HB2 PHE 19 HB2 PHE 19 -26.667 -30.154 -24.739 722 HB3 PHE 19 HB3 PHE 19 -27.451 -28.581 -24.663 723 HD1 PHE 19 HD2 PHE 19 -29.506 -28.169 -25.995 724 HD2 PHE 19 HD1 PHE 19 -27.773 -32.040 -25.649 725 HE1 PHE 19 HE2 PHE 19 -31.618 -29.179 -26.753 726 HE2 PHE 19 HE1 PHE 19 -29.881 -33.057 -26.405 727 HZ PHE 19 HZ PHE 19 -31.807 -31.626 -26.956 728 H SER 20 H SER 20 -24.037 -29.743 -25.727 729 HA SER 20 HA SER 20 -23.163 -27.327 -24.447 730 HB2 SER 20 HB2 SER 20 -22.478 -29.660 -23.746 731 HB3 SER 20 HB3 SER 20 -21.471 -29.723 -25.192 732 HG SER 20 HG SER 20 -20.021 -28.630 -24.147 733 H ASP 21 H ASP 21 -22.720 -28.869 -27.564 734 HA ASP 21 HA ASP 21 -20.644 -27.087 -28.419 735 HB2 ASP 21 HB2 ASP 21 -22.320 -29.154 -29.796 736 HB3 ASP 21 HB3 ASP 21 -21.350 -28.034 -30.744 737 H LEU 22 H LEU 22 -23.892 -26.609 -27.934 738 HA LEU 22 HA LEU 22 -24.565 -25.016 -30.176 739 HB2 LEU 22 HB2 LEU 22 -25.694 -25.078 -27.381 740 HB3 LEU 22 HB3 LEU 22 -26.363 -24.099 -28.672 741 HG LEU 22 HG LEU 22 -26.174 -27.115 -28.680 742 HD11 LEU 22 HD11 LEU 22 -27.807 -26.313 -27.073 743 HD12 LEU 22 HD12 LEU 22 -28.613 -27.037 -28.464 744 HD13 LEU 22 HD13 LEU 22 -28.539 -25.281 -28.305 745 HD21 LEU 22 HD21 LEU 22 -26.015 -26.186 -30.925 746 HD22 LEU 22 HD22 LEU 22 -27.456 -25.208 -30.640 747 HD23 LEU 22 HD23 LEU 22 -27.578 -26.967 -30.684 748 H TRP 23 H TRP 23 -23.018 -24.281 -27.089 749 HA TRP 23 HA TRP 23 -22.943 -21.446 -27.830 750 HB2 TRP 23 HB2 TRP 23 -22.252 -20.988 -25.549 751 HB3 TRP 23 HB3 TRP 23 -23.688 -22.001 -25.535 752 HD1 TRP 23 HD1 TRP 23 -23.398 -24.524 -24.653 753 HE1 TRP 23 HE1 TRP 23 -21.608 -25.617 -23.167 754 HE3 TRP 23 HE3 TRP 23 -19.768 -20.939 -24.989 755 HZ2 TRP 23 HZ2 TRP 23 -18.997 -25.031 -22.253 756 HZ3 TRP 23 HZ3 TRP 23 -17.659 -21.280 -23.770 757 HH2 TRP 23 HH2 TRP 23 -17.284 -23.282 -22.431 758 H LYS 24 H LYS 24 -21.166 -24.115 -28.375 759 HA LYS 24 HA LYS 24 -18.545 -22.921 -27.957 760 HB2 LYS 24 HB2 LYS 24 -19.399 -25.622 -28.999 761 HB3 LYS 24 HB3 LYS 24 -17.721 -25.105 -28.890 762 HG2 LYS 24 HG2 LYS 24 -17.979 -24.829 -26.462 763 HG3 LYS 24 HG3 LYS 24 -19.643 -25.401 -26.591 764 HD2 LYS 24 HD2 LYS 24 -18.187 -27.206 -25.875 765 HD3 LYS 24 HD3 LYS 24 -18.820 -27.543 -27.487 766 HE2 LYS 24 HE2 LYS 24 -16.738 -26.833 -28.494 767 HE3 LYS 24 HE3 LYS 24 -16.110 -26.349 -26.920 768 HZ1 LYS 24 HZ1 LYS 24 -16.787 -29.126 -27.744 769 HZ2 LYS 24 HZ2 LYS 24 -16.226 -28.666 -26.211 770 HZ3 LYS 24 HZ3 LYS 24 -15.226 -28.483 -27.567 771 H LEU 25 H LEU 25 -20.519 -21.883 -29.928 772 HA LEU 25 HA LEU 25 -19.316 -22.411 -32.498 773 HB2 LEU 25 HB2 LEU 25 -21.397 -20.366 -31.709 774 HB3 LEU 25 HB3 LEU 25 -20.948 -20.789 -33.351 775 HG LEU 25 HG LEU 25 -22.355 -22.547 -31.347 776 HD11 LEU 25 HD11 LEU 25 -23.213 -21.381 -33.988 777 HD12 LEU 25 HD12 LEU 25 -23.786 -20.902 -32.389 778 HD13 LEU 25 HD13 LEU 25 -24.153 -22.509 -33.012 779 HD21 LEU 25 HD21 LEU 25 -21.429 -23.225 -34.135 780 HD22 LEU 25 HD22 LEU 25 -22.404 -24.252 -33.085 781 HD23 LEU 25 HD23 LEU 25 -20.744 -23.857 -32.640 782 H LEU 26 H LEU 26 -18.379 -20.695 -29.911 783 HA LEU 26 HA LEU 26 -17.185 -18.487 -31.384 784 HB2 LEU 26 HB2 LEU 26 -16.175 -18.056 -29.021 785 HB3 LEU 26 HB3 LEU 26 -17.857 -17.674 -29.338 786 HG LEU 26 HG LEU 26 -18.405 -19.952 -28.317 787 HD11 LEU 26 HD11 LEU 26 -15.581 -19.691 -27.300 788 HD12 LEU 26 HD12 LEU 26 -16.176 -20.927 -28.410 789 HD13 LEU 26 HD13 LEU 26 -16.781 -20.866 -26.752 790 HD21 LEU 26 HD21 LEU 26 -18.272 -19.070 -26.033 791 HD22 LEU 26 HD22 LEU 26 -18.842 -17.857 -27.180 792 HD23 LEU 26 HD23 LEU 26 -17.179 -17.806 -26.594 793 HA PRO 27 HA PRO 27 -13.301 -20.574 -31.806 794 HB2 PRO 27 HB2 PRO 27 -11.523 -18.526 -31.645 795 HB3 PRO 27 HB3 PRO 27 -12.530 -18.819 -33.067 796 HG2 PRO 27 HG2 PRO 27 -12.869 -16.821 -30.881 797 HG3 PRO 27 HG3 PRO 27 -13.190 -16.655 -32.616 798 HD2 PRO 27 HD2 PRO 27 -15.136 -17.088 -30.729 799 HD3 PRO 27 HD3 PRO 27 -15.288 -17.555 -32.434 800 H GLU 28 H GLU 28 -13.340 -21.772 -29.895 801 HA GLU 28 HA GLU 28 -12.349 -20.610 -27.442 802 HB2 GLU 28 HB2 GLU 28 -14.119 -22.552 -27.819 803 HB3 GLU 28 HB3 GLU 28 -12.681 -23.560 -27.792 804 HG2 GLU 28 HG2 GLU 28 -13.433 -21.641 -25.600 805 HG3 GLU 28 HG3 GLU 28 -13.853 -23.351 -25.608 806 H ASN 29 H ASN 29 -10.352 -19.966 -28.605 807 HA ASN 29 HA ASN 29 -8.363 -22.139 -28.610 808 HB2 ASN 29 HB2 ASN 29 -6.994 -20.760 -30.046 809 HB3 ASN 29 HB3 ASN 29 -8.615 -20.823 -30.728 810 HD21 ASN 29 HD21 ASN 29 -9.950 -18.962 -30.569 811 HD22 ASN 29 HD22 ASN 29 -9.268 -17.394 -30.307 812 H ASN 30 H ASN 30 -9.607 -19.738 -26.788 813 HA ASN 30 HA ASN 30 -7.863 -19.996 -24.667 814 HB2 ASN 30 HB2 ASN 30 -6.890 -17.653 -24.598 815 HB3 ASN 30 HB3 ASN 30 -6.146 -18.758 -25.741 816 HD21 ASN 30 HD21 ASN 30 -5.306 -16.849 -26.725 817 HD22 ASN 30 HD22 ASN 30 -6.284 -15.937 -27.827 818 H VAL 31 H VAL 31 -10.087 -17.931 -26.381 819 HA VAL 31 HA VAL 31 -11.973 -16.840 -25.786 820 HB VAL 31 HB VAL 31 -11.696 -18.204 -23.098 821 HG11 VAL 31 HG11 VAL 31 -14.062 -17.627 -22.793 822 HG12 VAL 31 HG12 VAL 31 -14.038 -16.735 -24.313 823 HG13 VAL 31 HG13 VAL 31 -13.061 -16.184 -22.953 824 HG21 VAL 31 HG21 VAL 31 -13.451 -19.701 -23.944 825 HG22 VAL 31 HG22 VAL 31 -11.978 -19.799 -24.909 826 HG23 VAL 31 HG23 VAL 31 -13.371 -18.897 -25.511 827 H LEU 32 H LEU 32 -11.092 -14.855 -25.990 828 HA LEU 32 HA LEU 32 -9.613 -13.706 -23.760 829 HB2 LEU 32 HB2 LEU 32 -10.183 -12.647 -26.527 830 HB3 LEU 32 HB3 LEU 32 -9.230 -11.807 -25.320 831 HG LEU 32 HG LEU 32 -8.530 -14.474 -26.553 832 HD11 LEU 32 HD11 LEU 32 -7.369 -11.725 -26.974 833 HD12 LEU 32 HD12 LEU 32 -8.296 -12.663 -28.146 834 HD13 LEU 32 HD13 LEU 32 -6.707 -13.226 -27.624 835 HD21 LEU 32 HD21 LEU 32 -6.977 -12.721 -24.652 836 HD22 LEU 32 HD22 LEU 32 -6.396 -14.206 -25.404 837 HD23 LEU 32 HD23 LEU 32 -7.729 -14.265 -24.251 838 H SER 33 H SER 33 -11.115 -13.269 -22.213 839 HA SER 33 HA SER 33 -13.315 -11.463 -22.881 840 HB2 SER 33 HB2 SER 33 -12.652 -12.762 -20.226 841 HB3 SER 33 HB3 SER 33 -14.152 -11.940 -20.655 842 HG SER 33 HG SER 33 -14.716 -13.595 -21.967 843 HA PRO 34 HA PRO 34 -11.075 -7.905 -21.492 844 HB2 PRO 34 HB2 PRO 34 -13.591 -6.864 -20.358 845 HB3 PRO 34 HB3 PRO 34 -12.583 -6.205 -21.649 846 HG2 PRO 34 HG2 PRO 34 -14.965 -7.320 -22.172 847 HG3 PRO 34 HG3 PRO 34 -13.592 -7.498 -23.280 848 HD2 PRO 34 HD2 PRO 34 -14.678 -9.449 -21.285 849 HD3 PRO 34 HD3 PRO 34 -14.107 -9.732 -22.943 850 H LEU 35 H LEU 35 -9.757 -8.102 -19.780 851 HA LEU 35 HA LEU 35 -10.699 -9.009 -17.225 852 HB2 LEU 35 HB2 LEU 35 -8.044 -8.161 -18.331 853 HB3 LEU 35 HB3 LEU 35 -8.260 -8.395 -16.619 854 HG LEU 35 HG LEU 35 -7.314 -10.394 -17.384 855 HD11 LEU 35 HD11 LEU 35 -9.064 -12.087 -17.105 856 HD12 LEU 35 HD12 LEU 35 -10.290 -10.828 -17.256 857 HD13 LEU 35 HD13 LEU 35 -9.169 -10.808 -15.895 858 HD21 LEU 35 HD21 LEU 35 -9.330 -10.413 -19.623 859 HD22 LEU 35 HD22 LEU 35 -8.110 -11.647 -19.314 860 HD23 LEU 35 HD23 LEU 35 -7.618 -10.015 -19.772 861 HA PRO 36 HA PRO 36 -11.637 -5.040 -15.403 862 HB2 PRO 36 HB2 PRO 36 -10.531 -6.320 -12.951 863 HB3 PRO 36 HB3 PRO 36 -12.087 -5.521 -13.201 864 HG2 PRO 36 HG2 PRO 36 -11.949 -8.168 -13.042 865 HG3 PRO 36 HG3 PRO 36 -13.030 -7.387 -14.214 866 HD2 PRO 36 HD2 PRO 36 -10.370 -8.682 -14.663 867 HD3 PRO 36 HD3 PRO 36 -11.831 -8.736 -15.669 868 H SER 37 H SER 37 -10.423 -3.279 -15.514 869 HA SER 37 HA SER 37 -7.563 -3.498 -15.647 870 HB2 SER 37 HB2 SER 37 -9.263 -1.001 -15.775 871 HB3 SER 37 HB3 SER 37 -7.622 -1.205 -16.386 872 HG SER 37 HG SER 37 -8.354 -2.423 -18.037 873 H GLN 38 H GLN 38 -9.610 -3.184 -13.069 874 HA GLN 38 HA GLN 38 -8.131 -1.300 -11.501 875 HB2 GLN 38 HB2 GLN 38 -10.465 -1.729 -10.990 876 HB3 GLN 38 HB3 GLN 38 -10.129 -3.429 -10.705 877 HG2 GLN 38 HG2 GLN 38 -10.421 -2.238 -8.615 878 HG3 GLN 38 HG3 GLN 38 -8.775 -2.850 -8.763 879 HE21 GLN 38 HE21 GLN 38 -7.077 -1.410 -8.986 880 HE22 GLN 38 HE22 GLN 38 -7.254 0.291 -8.696 881 H ALA 39 H ALA 39 -8.136 -4.810 -11.846 882 HA ALA 39 HA ALA 39 -6.734 -6.447 -11.151 883 HB1 ALA 39 HB1 ALA 39 -4.970 -4.977 -12.089 884 HB2 ALA 39 HB2 ALA 39 -4.411 -5.968 -10.743 885 HB3 ALA 39 HB3 ALA 39 -4.764 -4.258 -10.492 886 H MET 40 H MET 40 -5.060 -6.766 -9.007 887 HA MET 40 HA MET 40 -6.689 -5.949 -6.695 888 HB2 MET 40 HB2 MET 40 -7.237 -8.274 -7.366 889 HB3 MET 40 HB3 MET 40 -5.545 -8.706 -7.167 890 HG2 MET 40 HG2 MET 40 -5.714 -8.098 -4.774 891 HG3 MET 40 HG3 MET 40 -7.434 -7.792 -5.007 892 HE1 MET 40 HE1 MET 40 -8.680 -11.397 -6.054 893 HE2 MET 40 HE2 MET 40 -8.120 -10.107 -7.118 894 HE3 MET 40 HE3 MET 40 -9.176 -9.730 -5.757 895 H ASP 41 H ASP 41 -3.661 -6.316 -8.110 896 HA ASP 41 HA ASP 41 -2.149 -6.720 -5.699 897 HB2 ASP 41 HB2 ASP 41 -0.196 -6.345 -7.332 898 HB3 ASP 41 HB3 ASP 41 -1.206 -7.769 -7.555 899 H ASP 42 H ASP 42 -3.663 -4.058 -6.819 900 HA ASP 42 HA ASP 42 -1.534 -2.219 -5.972 901 HB2 ASP 42 HB2 ASP 42 -2.729 -0.470 -7.042 902 HB3 ASP 42 HB3 ASP 42 -2.812 -1.838 -8.145 903 H LEU 43 H LEU 43 -3.432 -4.019 -4.386 904 HA LEU 43 HA LEU 43 -5.339 -2.572 -3.000 905 HB2 LEU 43 HB2 LEU 43 -4.763 -5.095 -2.975 906 HB3 LEU 43 HB3 LEU 43 -3.660 -4.684 -1.678 907 HG LEU 43 HG LEU 43 -6.621 -4.092 -1.574 908 HD11 LEU 43 HD11 LEU 43 -6.262 -6.498 -1.783 909 HD12 LEU 43 HD12 LEU 43 -6.829 -6.069 -0.167 910 HD13 LEU 43 HD13 LEU 43 -5.127 -6.448 -0.433 911 HD21 LEU 43 HD21 LEU 43 -5.233 -2.751 -0.064 912 HD22 LEU 43 HD22 LEU 43 -4.513 -4.224 0.585 913 HD23 LEU 43 HD23 LEU 43 -6.229 -3.897 0.831 914 H MET 44 H MET 44 -2.050 -3.310 -1.781 915 HA MET 44 HA MET 44 -2.382 -1.052 0.045 916 HB2 MET 44 HB2 MET 44 -0.518 -2.028 1.334 917 HB3 MET 44 HB3 MET 44 -1.879 -3.122 1.162 918 HG2 MET 44 HG2 MET 44 0.554 -3.254 -0.590 919 HG3 MET 44 HG3 MET 44 0.411 -4.129 0.930 920 HE1 MET 44 HE1 MET 44 -2.655 -6.503 0.172 921 HE2 MET 44 HE2 MET 44 -2.729 -4.895 0.890 922 HE3 MET 44 HE3 MET 44 -1.461 -6.020 1.375 923 H LEU 45 H LEU 45 -0.014 -2.371 -2.252 924 HA LEU 45 HA LEU 45 1.382 0.209 -2.131 925 HB2 LEU 45 HB2 LEU 45 2.349 -2.438 -3.245 926 HB3 LEU 45 HB3 LEU 45 3.266 -0.946 -3.268 927 HG LEU 45 HG LEU 45 2.522 -2.601 -0.856 928 HD11 LEU 45 HD11 LEU 45 4.952 -2.664 -0.496 929 HD12 LEU 45 HD12 LEU 45 5.179 -1.807 -2.022 930 HD13 LEU 45 HD13 LEU 45 4.464 -3.422 -2.015 931 HD21 LEU 45 HD21 LEU 45 2.215 -0.260 -0.293 932 HD22 LEU 45 HD22 LEU 45 3.818 0.114 -0.925 933 HD23 LEU 45 HD23 LEU 45 3.648 -0.908 0.502 934 H SER 46 H SER 46 0.779 1.614 -3.654 935 HA SER 46 HA SER 46 -0.688 0.725 -5.971 936 HB2 SER 46 HB2 SER 46 -1.301 2.794 -4.742 937 HB3 SER 46 HB3 SER 46 0.231 3.519 -5.225 938 HG SER 46 HG SER 46 -0.703 4.064 -7.022 939 HA PRO 47 HA PRO 47 2.701 -0.006 -8.640 940 HB2 PRO 47 HB2 PRO 47 1.459 0.585 -11.029 941 HB3 PRO 47 HB3 PRO 47 1.359 -0.956 -10.175 942 HG2 PRO 47 HG2 PRO 47 -0.578 1.311 -10.232 943 HG3 PRO 47 HG3 PRO 47 -0.885 -0.434 -10.198 944 HD2 PRO 47 HD2 PRO 47 -1.162 1.102 -8.011 945 HD3 PRO 47 HD3 PRO 47 -0.580 -0.572 -7.918 946 H ASP 48 H ASP 48 1.560 3.112 -8.186 947 HA ASP 48 HA ASP 48 2.714 4.521 -10.332 948 HB2 ASP 48 HB2 ASP 48 2.165 5.414 -7.493 949 HB3 ASP 48 HB3 ASP 48 2.679 6.498 -8.779 950 H ASP 49 H ASP 49 3.947 4.387 -6.992 951 HA ASP 49 HA ASP 49 6.582 5.142 -8.047 952 HB2 ASP 49 HB2 ASP 49 5.363 5.378 -5.300 953 HB3 ASP 49 HB3 ASP 49 7.073 5.664 -5.603 954 H ILE 50 H ILE 50 4.989 2.412 -6.885 955 HA ILE 50 HA ILE 50 6.990 1.364 -5.154 956 HB ILE 50 HB ILE 50 5.759 -0.719 -5.198 957 HG12 ILE 50 HG12 ILE 50 4.052 0.557 -7.343 958 HG13 ILE 50 HG13 ILE 50 5.247 -0.698 -7.639 959 HG21 ILE 50 HG21 ILE 50 3.965 1.683 -5.128 960 HG22 ILE 50 HG22 ILE 50 4.976 1.098 -3.808 961 HG23 ILE 50 HG23 ILE 50 3.629 0.119 -4.387 962 HD11 ILE 50 HD11 ILE 50 2.775 -0.966 -5.951 963 HD12 ILE 50 HD12 ILE 50 3.983 -2.224 -6.208 964 HD13 ILE 50 HD13 ILE 50 3.023 -1.632 -7.566 965 H GLU 51 H GLU 51 6.920 1.515 -8.543 966 HA GLU 51 HA GLU 51 7.603 -1.122 -9.179 967 HB2 GLU 51 HB2 GLU 51 6.722 0.670 -10.736 968 HB3 GLU 51 HB3 GLU 51 8.365 1.298 -10.809 969 HG2 GLU 51 HG2 GLU 51 9.103 -0.944 -11.619 970 HG3 GLU 51 HG3 GLU 51 7.404 -1.406 -11.706 971 H GLN 52 H GLN 52 9.471 1.231 -7.666 972 HA GLN 52 HA GLN 52 12.006 0.132 -8.607 973 HB2 GLN 52 HB2 GLN 52 12.844 2.006 -6.944 974 HB3 GLN 52 HB3 GLN 52 12.290 2.397 -8.566 975 HG2 GLN 52 HG2 GLN 52 10.265 3.247 -7.807 976 HG3 GLN 52 HG3 GLN 52 10.398 2.443 -6.249 977 HE21 GLN 52 HE21 GLN 52 13.060 4.185 -7.727 978 HE22 GLN 52 HE22 GLN 52 13.064 5.493 -6.598 979 H TRP 53 H TRP 53 9.854 -0.185 -5.917 980 HA TRP 53 HA TRP 53 11.936 -1.727 -4.539 981 HB2 TRP 53 HB2 TRP 53 10.715 -0.956 -2.356 982 HB3 TRP 53 HB3 TRP 53 11.941 0.062 -3.105 983 HD1 TRP 53 HD1 TRP 53 11.068 2.217 -4.457 984 HE1 TRP 53 HE1 TRP 53 8.937 3.616 -4.205 985 HE3 TRP 53 HE3 TRP 53 8.292 -1.057 -1.692 986 HZ2 TRP 53 HZ2 TRP 53 6.404 3.383 -2.948 987 HZ3 TRP 53 HZ3 TRP 53 6.035 -0.384 -0.984 988 HH2 TRP 53 HH2 TRP 53 5.110 1.788 -1.600 989 H PHE 54 H PHE 54 9.213 -2.061 -6.124 990 HA PHE 54 HA PHE 54 8.263 -4.240 -4.386 991 HB2 PHE 54 HB2 PHE 54 6.631 -2.351 -4.586 992 HB3 PHE 54 HB3 PHE 54 6.618 -2.586 -6.330 993 HD1 PHE 54 HD2 PHE 54 6.414 -5.564 -6.489 994 HD2 PHE 54 HD1 PHE 54 4.462 -2.774 -3.922 995 HE1 PHE 54 HE2 PHE 54 4.495 -7.091 -6.287 996 HE2 PHE 54 HE1 PHE 54 2.547 -4.302 -3.726 997 HZ PHE 54 HZ PHE 54 2.558 -6.461 -4.908 998 H THR 55 H THR 55 10.005 -5.405 -5.530 999 HA THR 55 HA THR 55 8.836 -7.154 -7.360 1000 HB THR 55 HB THR 55 9.110 -5.498 -9.076 1001 HG1 THR 55 HG1 THR 55 10.077 -6.810 -10.510 1002 HG21 THR 55 HG21 THR 55 10.847 -4.101 -8.096 1003 HG22 THR 55 HG22 THR 55 11.310 -4.597 -9.724 1004 HG23 THR 55 HG23 THR 55 12.035 -5.386 -8.321 1005 H GLU 56 H GLU 56 9.610 -8.605 -5.804 1006 HA GLU 56 HA GLU 56 12.227 -9.630 -6.295 1007 HB2 GLU 56 HB2 GLU 56 13.105 -9.374 -3.991 1008 HB3 GLU 56 HB3 GLU 56 12.937 -7.851 -4.837 1009 HG2 GLU 56 HG2 GLU 56 11.096 -8.917 -2.705 1010 HG3 GLU 56 HG3 GLU 56 12.291 -7.639 -2.511 1011 H ASP 57 H ASP 57 11.362 -11.584 -6.670 1012 HA ASP 57 HA ASP 57 9.134 -12.609 -5.227 1013 HB2 ASP 57 HB2 ASP 57 9.556 -13.091 -7.610 1014 HB3 ASP 57 HB3 ASP 57 10.967 -14.038 -7.161 1015 HA PRO 58 HA PRO 58 10.769 -14.913 -1.789 1016 HB2 PRO 58 HB2 PRO 58 9.033 -17.048 -2.947 1017 HB3 PRO 58 HB3 PRO 58 9.165 -16.485 -1.278 1018 HG2 PRO 58 HG2 PRO 58 7.123 -15.732 -2.814 1019 HG3 PRO 58 HG3 PRO 58 7.875 -14.607 -1.665 1020 HD2 PRO 58 HD2 PRO 58 8.075 -14.699 -4.632 1021 HD3 PRO 58 HD3 PRO 58 8.176 -13.313 -3.528 1022 H GLY 59 H GLY 59 11.007 -16.058 -5.078 1023 HA2 GLY 59 HA2 GLY 59 12.636 -18.330 -4.586 1024 HA3 GLY 59 HA3 GLY 59 12.543 -17.435 -6.095 1025 HA PRO 60 HA PRO 60 16.596 -16.670 -3.642 1026 HB2 PRO 60 HB2 PRO 60 17.909 -18.496 -5.520 1027 HB3 PRO 60 HB3 PRO 60 17.967 -18.475 -3.757 1028 HG2 PRO 60 HG2 PRO 60 16.673 -20.404 -5.126 1029 HG3 PRO 60 HG3 PRO 60 16.110 -19.823 -3.546 1030 HD2 PRO 60 HD2 PRO 60 15.108 -19.138 -6.287 1031 HD3 PRO 60 HD3 PRO 60 14.188 -19.471 -4.803 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 15.675 16.052 -13.373 2 H2 GLY 1 HT2 GLY 1 14.995 17.116 -14.503 3 H3 GLY 1 HT3 GLY 1 16.604 17.319 -14.012 4 HA2 GLY 1 HA3 GLY 1 16.558 16.340 -16.194 5 HA3 GLY 1 HA2 GLY 1 17.204 15.201 -15.018 6 H LYS 2 H LYS 2 15.912 13.428 -14.355 7 HA LYS 2 HA LYS 2 13.713 12.844 -16.224 8 HB2 LYS 2 HB2 LYS 2 15.566 11.316 -16.513 9 HB3 LYS 2 HB3 LYS 2 15.617 10.988 -14.788 10 HG2 LYS 2 HG2 LYS 2 14.608 9.147 -16.011 11 HG3 LYS 2 HG3 LYS 2 13.448 9.888 -14.912 12 HD2 LYS 2 HD2 LYS 2 12.404 9.386 -17.048 13 HD3 LYS 2 HD3 LYS 2 12.475 11.131 -16.794 14 HE2 LYS 2 HE2 LYS 2 14.387 11.298 -18.265 15 HE3 LYS 2 HE3 LYS 2 14.432 9.545 -18.451 16 HZ1 LYS 2 HZ1 LYS 2 12.339 9.595 -19.568 17 HZ2 LYS 2 HZ2 LYS 2 13.359 10.715 -20.326 18 HZ3 LYS 2 HZ3 LYS 2 12.144 11.253 -19.271 19 H GLY 3 H GLY 3 14.795 12.274 -12.880 20 HA2 GLY 3 HA2 GLY 3 12.054 12.674 -11.970 21 HA3 GLY 3 HA3 GLY 3 12.751 11.092 -11.653 22 H ASP 4 H ASP 4 12.006 12.364 -9.479 23 HA ASP 4 HA ASP 4 14.443 13.619 -8.422 24 HB2 ASP 4 HB2 ASP 4 12.993 14.571 -6.641 25 HB3 ASP 4 HB3 ASP 4 12.558 15.121 -8.253 26 HA PRO 5 HA PRO 5 14.646 9.748 -6.201 27 HB2 PRO 5 HB2 PRO 5 17.275 9.784 -5.734 28 HB3 PRO 5 HB3 PRO 5 16.640 9.495 -7.358 29 HG2 PRO 5 HG2 PRO 5 17.812 11.978 -6.193 30 HG3 PRO 5 HG3 PRO 5 17.997 11.308 -7.822 31 HD2 PRO 5 HD2 PRO 5 16.254 13.358 -7.110 32 HD3 PRO 5 HD3 PRO 5 16.133 12.371 -8.578 33 H LYS 6 H LYS 6 14.424 12.696 -5.053 34 HA LYS 6 HA LYS 6 15.340 12.044 -2.337 35 HB2 LYS 6 HB2 LYS 6 14.589 14.720 -3.535 36 HB3 LYS 6 HB3 LYS 6 15.048 14.468 -1.860 37 HG2 LYS 6 HG2 LYS 6 17.270 13.704 -2.615 38 HG3 LYS 6 HG3 LYS 6 16.798 14.076 -4.277 39 HD2 LYS 6 HD2 LYS 6 16.432 16.413 -3.651 40 HD3 LYS 6 HD3 LYS 6 16.889 16.044 -1.989 41 HE2 LYS 6 HE2 LYS 6 18.756 17.061 -3.110 42 HE3 LYS 6 HE3 LYS 6 19.127 15.367 -2.798 43 HZ1 LYS 6 HZ1 LYS 6 18.901 14.822 -5.026 44 HZ2 LYS 6 HZ2 LYS 6 19.668 16.337 -5.090 45 HZ3 LYS 6 HZ3 LYS 6 18.004 16.216 -5.393 46 H LYS 7 H LYS 7 12.872 11.256 -3.878 47 HA LYS 7 HA LYS 7 10.767 12.581 -2.366 48 HB2 LYS 7 HB2 LYS 7 10.811 11.900 -4.934 49 HB3 LYS 7 HB3 LYS 7 10.197 10.385 -4.289 50 HG2 LYS 7 HG2 LYS 7 8.283 11.443 -3.380 51 HG3 LYS 7 HG3 LYS 7 8.941 13.048 -3.701 52 HD2 LYS 7 HD2 LYS 7 8.923 12.451 -6.144 53 HD3 LYS 7 HD3 LYS 7 8.017 11.000 -5.705 54 HE2 LYS 7 HE2 LYS 7 6.224 12.328 -4.812 55 HE3 LYS 7 HE3 LYS 7 7.151 13.812 -5.054 56 HZ1 LYS 7 HZ1 LYS 7 6.332 11.998 -7.257 57 HZ2 LYS 7 HZ2 LYS 7 7.020 13.540 -7.401 58 HZ3 LYS 7 HZ3 LYS 7 5.451 13.368 -6.792 59 HA PRO 8 HA PRO 8 10.785 9.101 0.377 60 HB2 PRO 8 HB2 PRO 8 9.248 10.378 2.273 61 HB3 PRO 8 HB3 PRO 8 10.990 10.575 2.093 62 HG2 PRO 8 HG2 PRO 8 8.909 12.501 1.590 63 HG3 PRO 8 HG3 PRO 8 10.662 12.726 1.491 64 HD2 PRO 8 HD2 PRO 8 8.718 12.258 -0.660 65 HD3 PRO 8 HD3 PRO 8 10.367 12.907 -0.750 66 H ARG 9 H ARG 9 9.429 7.460 0.968 67 HA ARG 9 HA ARG 9 6.732 7.412 -0.033 68 HB2 ARG 9 HB2 ARG 9 8.530 5.476 1.365 69 HB3 ARG 9 HB3 ARG 9 6.798 5.178 1.378 70 HG2 ARG 9 HG2 ARG 9 6.701 4.933 -0.953 71 HG3 ARG 9 HG3 ARG 9 8.289 5.673 -1.181 72 HD2 ARG 9 HD2 ARG 9 7.857 3.086 0.287 73 HD3 ARG 9 HD3 ARG 9 8.159 3.166 -1.446 74 HE ARG 9 HE ARG 9 10.201 4.593 -0.203 75 HH11 ARG 9 HH11 ARG 9 8.968 1.329 -0.263 76 HH12 ARG 9 HH12 ARG 9 10.516 0.574 -0.012 77 HH21 ARG 9 HH21 ARG 9 12.282 3.608 0.104 78 HH22 ARG 9 HH22 ARG 9 12.389 1.873 0.209 79 H GLY 10 H GLY 10 7.947 6.680 3.205 80 HA2 GLY 10 HA2 GLY 10 7.543 7.646 5.232 81 HA3 GLY 10 HA3 GLY 10 6.876 9.015 4.362 82 H LYS 11 H LYS 11 4.612 8.992 3.834 83 HA LYS 11 HA LYS 11 3.216 8.099 6.193 84 HB2 LYS 11 HB2 LYS 11 2.390 9.897 3.921 85 HB3 LYS 11 HB3 LYS 11 1.326 9.479 5.259 86 HG2 LYS 11 HG2 LYS 11 3.195 10.344 6.769 87 HG3 LYS 11 HG3 LYS 11 3.860 11.072 5.307 88 HD2 LYS 11 HD2 LYS 11 1.826 12.341 4.968 89 HD3 LYS 11 HD3 LYS 11 1.067 11.541 6.350 90 HE2 LYS 11 HE2 LYS 11 2.908 12.465 7.777 91 HE3 LYS 11 HE3 LYS 11 3.438 13.402 6.381 92 HZ1 LYS 11 HZ1 LYS 11 1.301 14.528 6.354 93 HZ2 LYS 11 HZ2 LYS 11 2.043 14.706 7.871 94 HZ3 LYS 11 HZ3 LYS 11 0.767 13.607 7.674 95 H MET 12 H MET 12 3.938 6.187 4.011 96 HA MET 12 HA MET 12 1.693 5.148 2.740 97 HB2 MET 12 HB2 MET 12 3.969 3.633 4.027 98 HB3 MET 12 HB3 MET 12 2.852 2.980 2.837 99 HG2 MET 12 HG2 MET 12 3.688 4.468 1.154 100 HG3 MET 12 HG3 MET 12 4.703 5.295 2.335 101 HE1 MET 12 HE1 MET 12 4.124 1.422 2.337 102 HE2 MET 12 HE2 MET 12 5.331 0.890 1.168 103 HE3 MET 12 HE3 MET 12 3.960 1.857 0.635 104 H SER 13 H SER 13 -0.016 3.911 3.391 105 HA SER 13 HA SER 13 -0.839 3.880 6.066 106 HB2 SER 13 HB2 SER 13 -2.476 3.626 4.320 107 HB3 SER 13 HB3 SER 13 -1.682 2.168 3.714 108 HG SER 13 HG SER 13 -3.641 2.221 5.389 109 H SER 14 H SER 14 -0.960 2.171 7.594 110 HA SER 14 HA SER 14 1.301 0.578 7.917 111 HB2 SER 14 HB2 SER 14 -1.417 -0.074 9.060 112 HB3 SER 14 HB3 SER 14 0.167 -0.383 9.775 113 HG SER 14 HG SER 14 -1.351 1.707 10.171 114 H TYR 15 H TYR 15 -1.715 -0.008 6.283 115 HA TYR 15 HA TYR 15 -1.562 -2.785 5.880 116 HB2 TYR 15 HB2 TYR 15 -3.467 -1.058 5.399 117 HB3 TYR 15 HB3 TYR 15 -2.681 -0.878 3.838 118 HD1 TYR 15 HD1 TYR 15 -1.878 -3.840 3.522 119 HD2 TYR 15 HD2 TYR 15 -5.510 -1.940 4.662 120 HE1 TYR 15 HE1 TYR 15 -3.147 -5.774 2.689 121 HE2 TYR 15 HE2 TYR 15 -6.784 -3.863 3.828 122 HH TYR 15 HH TYR 15 -6.638 -5.703 2.460 123 H ALA 16 H ALA 16 -0.494 -0.053 3.896 124 HA ALA 16 HA ALA 16 0.683 -1.633 1.856 125 HB1 ALA 16 HB1 ALA 16 1.642 0.454 1.057 126 HB2 ALA 16 HB2 ALA 16 1.186 1.254 2.564 127 HB3 ALA 16 HB3 ALA 16 -0.062 0.662 1.466 128 H PHE 17 H PHE 17 1.898 -0.059 4.761 129 HA PHE 17 HA PHE 17 4.640 -0.405 4.229 130 HB2 PHE 17 HB2 PHE 17 3.147 0.806 6.226 131 HB3 PHE 17 HB3 PHE 17 3.981 -0.501 7.064 132 HD1 PHE 17 HD1 PHE 17 4.439 2.506 5.006 133 HD2 PHE 17 HD2 PHE 17 6.316 -0.415 7.460 134 HE1 PHE 17 HE1 PHE 17 6.487 3.865 5.040 135 HE2 PHE 17 HE2 PHE 17 8.371 0.935 7.507 136 HZ PHE 17 HZ PHE 17 8.460 3.082 6.297 137 H PHE 18 H PHE 18 2.268 -2.427 5.871 138 HA PHE 18 HA PHE 18 3.897 -4.464 6.806 139 HB2 PHE 18 HB2 PHE 18 1.657 -4.604 7.446 140 HB3 PHE 18 HB3 PHE 18 1.068 -4.348 5.808 141 HD1 PHE 18 HD1 PHE 18 2.783 -6.838 7.972 142 HD2 PHE 18 HD2 PHE 18 0.469 -6.138 4.475 143 HE1 PHE 18 HE1 PHE 18 2.476 -9.267 7.692 144 HE2 PHE 18 HE2 PHE 18 0.165 -8.555 4.186 145 HZ PHE 18 HZ PHE 18 1.160 -10.123 5.790 146 H VAL 19 H VAL 19 2.357 -4.151 3.627 147 HA VAL 19 HA VAL 19 3.516 -6.490 2.525 148 HB VAL 19 HB VAL 19 2.318 -4.042 1.213 149 HG11 VAL 19 HG11 VAL 19 3.011 -6.689 -0.053 150 HG12 VAL 19 HG12 VAL 19 3.847 -5.163 -0.345 151 HG13 VAL 19 HG13 VAL 19 2.160 -5.354 -0.831 152 HG21 VAL 19 HG21 VAL 19 0.390 -5.491 0.878 153 HG22 VAL 19 HG22 VAL 19 0.783 -5.335 2.589 154 HG23 VAL 19 HG23 VAL 19 1.222 -6.801 1.711 155 H GLN 20 H GLN 20 4.387 -3.076 2.452 156 HA GLN 20 HA GLN 20 6.463 -3.257 0.584 157 HB2 GLN 20 HB2 GLN 20 5.416 -1.148 1.215 158 HB3 GLN 20 HB3 GLN 20 6.080 -1.280 2.834 159 HG2 GLN 20 HG2 GLN 20 8.103 -1.423 0.740 160 HG3 GLN 20 HG3 GLN 20 7.199 0.091 0.750 161 HE21 GLN 20 HE21 GLN 20 7.332 1.442 2.534 162 HE22 GLN 20 HE22 GLN 20 8.576 1.281 3.719 163 H THR 21 H THR 21 6.633 -3.268 4.166 164 HA THR 21 HA THR 21 9.448 -3.376 4.225 165 HB THR 21 HB THR 21 8.077 -2.644 6.157 166 HG1 THR 21 HG1 THR 21 10.337 -3.763 6.203 167 HG21 THR 21 HG21 THR 21 7.145 -4.337 7.688 168 HG22 THR 21 HG22 THR 21 7.518 -5.594 6.506 169 HG23 THR 21 HG23 THR 21 6.333 -4.346 6.122 170 H CYS 22 H CYS 22 7.015 -5.947 4.204 171 HA CYS 22 HA CYS 22 8.845 -8.057 4.709 172 HB2 CYS 22 HB2 CYS 22 6.164 -8.153 3.312 173 HB3 CYS 22 HB3 CYS 22 7.043 -9.539 3.946 174 HG CYS 22 HG CYS 22 5.231 -7.213 5.588 175 H ARG 23 H ARG 23 7.500 -6.656 1.753 176 HA ARG 23 HA ARG 23 8.787 -8.416 -0.053 177 HB2 ARG 23 HB2 ARG 23 6.895 -7.051 -0.757 178 HB3 ARG 23 HB3 ARG 23 7.811 -5.581 -0.445 179 HG2 ARG 23 HG2 ARG 23 9.457 -6.893 -2.165 180 HG3 ARG 23 HG3 ARG 23 7.867 -7.384 -2.745 181 HD2 ARG 23 HD2 ARG 23 8.560 -5.387 -3.904 182 HD3 ARG 23 HD3 ARG 23 7.204 -5.011 -2.842 183 HE ARG 23 HE ARG 23 8.733 -3.905 -1.360 184 HH11 ARG 23 HH11 ARG 23 10.157 -4.932 -4.379 185 HH12 ARG 23 HH12 ARG 23 11.383 -3.704 -4.374 186 HH21 ARG 23 HH21 ARG 23 10.393 -2.271 -1.337 187 HH22 ARG 23 HH22 ARG 23 11.525 -2.218 -2.649 188 H GLU 24 H GLU 24 9.613 -5.199 1.167 189 HA GLU 24 HA GLU 24 11.815 -4.895 -0.597 190 HB2 GLU 24 HB2 GLU 24 10.636 -2.961 0.089 191 HB3 GLU 24 HB3 GLU 24 10.860 -3.323 1.788 192 HG2 GLU 24 HG2 GLU 24 13.019 -2.556 1.796 193 HG3 GLU 24 HG3 GLU 24 13.267 -2.916 0.087 194 H GLU 25 H GLU 25 11.528 -5.989 2.750 195 HA GLU 25 HA GLU 25 14.288 -6.095 3.308 196 HB2 GLU 25 HB2 GLU 25 12.612 -6.449 5.055 197 HB3 GLU 25 HB3 GLU 25 12.071 -7.920 4.259 198 HG2 GLU 25 HG2 GLU 25 14.224 -8.943 4.642 199 HG3 GLU 25 HG3 GLU 25 14.797 -7.479 5.434 200 H HIS 26 H HIS 26 12.089 -8.400 1.802 201 HA HIS 26 HA HIS 26 14.012 -10.414 1.275 202 HB2 HIS 26 HB2 HIS 26 11.643 -10.930 1.304 203 HB3 HIS 26 HB3 HIS 26 11.334 -9.791 0.003 204 HD1 HIS 26 HD1 HIS 26 10.513 -11.278 -1.802 205 HD2 HIS 26 HD2 HIS 26 14.017 -12.707 -0.078 206 HE1 HIS 26 HE1 HIS 26 11.223 -13.230 -3.225 207 HE2 HIS 26 HE2 HIS 26 13.287 -14.147 -2.109 208 H LYS 27 H LYS 27 13.012 -7.523 -0.390 209 HA LYS 27 HA LYS 27 14.291 -8.087 -2.875 210 HB2 LYS 27 HB2 LYS 27 12.403 -6.473 -2.570 211 HB3 LYS 27 HB3 LYS 27 13.505 -5.404 -1.716 212 HG2 LYS 27 HG2 LYS 27 13.233 -4.653 -3.984 213 HG3 LYS 27 HG3 LYS 27 14.881 -5.238 -3.747 214 HD2 LYS 27 HD2 LYS 27 14.368 -7.307 -4.857 215 HD3 LYS 27 HD3 LYS 27 12.658 -6.880 -4.952 216 HE2 LYS 27 HE2 LYS 27 13.690 -6.511 -7.096 217 HE3 LYS 27 HE3 LYS 27 13.249 -4.962 -6.382 218 HZ1 LYS 27 HZ1 LYS 27 15.622 -4.824 -5.601 219 HZ2 LYS 27 HZ2 LYS 27 15.395 -4.704 -7.278 220 HZ3 LYS 27 HZ3 LYS 27 15.955 -6.154 -6.600 221 H LYS 28 H LYS 28 15.290 -6.714 0.166 222 HA LYS 28 HA LYS 28 17.775 -5.676 -0.784 223 HB2 LYS 28 HB2 LYS 28 16.428 -5.974 1.799 224 HB3 LYS 28 HB3 LYS 28 18.176 -6.152 1.885 225 HG2 LYS 28 HG2 LYS 28 17.543 -3.859 2.290 226 HG3 LYS 28 HG3 LYS 28 18.447 -3.981 0.786 227 HD2 LYS 28 HD2 LYS 28 16.334 -3.917 -0.468 228 HD3 LYS 28 HD3 LYS 28 15.448 -3.753 1.051 229 HE2 LYS 28 HE2 LYS 28 16.619 -1.659 1.508 230 HE3 LYS 28 HE3 LYS 28 17.518 -1.825 0.002 231 HZ1 LYS 28 HZ1 LYS 28 15.794 -0.389 -0.516 232 HZ2 LYS 28 HZ2 LYS 28 14.645 -1.244 0.380 233 HZ3 LYS 28 HZ3 LYS 28 15.224 -1.877 -1.086 234 H LYS 29 H LYS 29 16.875 -8.609 1.043 235 HA LYS 29 HA LYS 29 19.417 -9.801 1.018 236 HB2 LYS 29 HB2 LYS 29 16.730 -11.186 0.999 237 HB3 LYS 29 HB3 LYS 29 18.257 -11.894 1.511 238 HG2 LYS 29 HG2 LYS 29 18.385 -10.422 3.386 239 HG3 LYS 29 HG3 LYS 29 16.990 -9.501 2.822 240 HD2 LYS 29 HD2 LYS 29 15.647 -11.624 3.026 241 HD3 LYS 29 HD3 LYS 29 17.041 -12.334 3.844 242 HE2 LYS 29 HE2 LYS 29 15.731 -9.777 4.727 243 HE3 LYS 29 HE3 LYS 29 15.251 -11.362 5.340 244 HZ1 LYS 29 HZ1 LYS 29 18.053 -10.404 5.490 245 HZ2 LYS 29 HZ2 LYS 29 17.320 -11.662 6.367 246 HZ3 LYS 29 HZ3 LYS 29 16.919 -10.048 6.697 247 H HIS 30 H HIS 30 16.732 -10.031 -1.283 248 HA HIS 30 HA HIS 30 18.592 -11.279 -3.197 249 HB2 HIS 30 HB2 HIS 30 15.646 -11.827 -2.809 250 HB3 HIS 30 HB3 HIS 30 16.541 -12.339 -4.232 251 HD1 HIS 30 HD1 HIS 30 17.802 -14.492 -4.078 252 HD2 HIS 30 HD2 HIS 30 16.502 -13.127 -0.368 253 HE1 HIS 30 HE1 HIS 30 18.283 -16.361 -2.455 254 HE2 HIS 30 HE2 HIS 30 17.618 -15.455 -0.192 255 HA PRO 31 HA PRO 31 17.373 -7.213 -4.852 256 HB2 PRO 31 HB2 PRO 31 19.878 -7.497 -6.365 257 HB3 PRO 31 HB3 PRO 31 19.382 -6.225 -5.244 258 HG2 PRO 31 HG2 PRO 31 21.289 -7.996 -4.595 259 HG3 PRO 31 HG3 PRO 31 20.147 -7.371 -3.391 260 HD2 PRO 31 HD2 PRO 31 20.111 -9.996 -4.844 261 HD3 PRO 31 HD3 PRO 31 19.811 -9.656 -3.125 262 H ASP 32 H ASP 32 18.288 -10.150 -6.443 263 HA ASP 32 HA ASP 32 17.486 -9.222 -9.076 264 HB2 ASP 32 HB2 ASP 32 18.264 -12.012 -8.205 265 HB3 ASP 32 HB3 ASP 32 18.181 -11.407 -9.856 266 H ALA 33 H ALA 33 15.998 -10.502 -6.363 267 HA ALA 33 HA ALA 33 14.044 -12.094 -7.809 268 HB1 ALA 33 HB1 ALA 33 13.185 -12.695 -5.616 269 HB2 ALA 33 HB2 ALA 33 14.277 -11.536 -4.857 270 HB3 ALA 33 HB3 ALA 33 14.930 -12.946 -5.694 271 H SER 34 H SER 34 12.474 -11.009 -8.787 272 HA SER 34 HA SER 34 11.182 -8.813 -7.329 273 HB2 SER 34 HB2 SER 34 11.905 -8.732 -9.876 274 HB3 SER 34 HB3 SER 34 10.397 -9.615 -10.112 275 HG SER 34 HG SER 34 9.473 -7.733 -10.006 276 H VAL 35 H VAL 35 9.129 -9.066 -6.544 277 HA VAL 35 HA VAL 35 8.294 -11.783 -6.162 278 HB VAL 35 HB VAL 35 6.634 -10.953 -4.667 279 HG11 VAL 35 HG11 VAL 35 7.900 -9.472 -3.172 280 HG12 VAL 35 HG12 VAL 35 9.077 -9.201 -4.458 281 HG13 VAL 35 HG13 VAL 35 8.875 -10.814 -3.772 282 HG21 VAL 35 HG21 VAL 35 7.107 -8.234 -5.868 283 HG22 VAL 35 HG22 VAL 35 6.094 -8.562 -4.461 284 HG23 VAL 35 HG23 VAL 35 5.659 -9.229 -6.036 285 H ASN 36 H ASN 36 6.333 -12.730 -6.805 286 HA ASN 36 HA ASN 36 5.055 -11.741 -9.171 287 HB2 ASN 36 HB2 ASN 36 4.405 -13.975 -7.243 288 HB3 ASN 36 HB3 ASN 36 3.340 -13.561 -8.580 289 HD21 ASN 36 HD21 ASN 36 5.446 -12.941 -10.445 290 HD22 ASN 36 HD22 ASN 36 6.164 -14.455 -10.880 291 H PHE 37 H PHE 37 3.772 -9.995 -9.119 292 HA PHE 37 HA PHE 37 2.883 -8.762 -6.801 293 HB2 PHE 37 HB2 PHE 37 3.076 -7.636 -8.987 294 HB3 PHE 37 HB3 PHE 37 1.663 -8.521 -9.557 295 HD1 PHE 37 HD2 PHE 37 2.650 -6.377 -6.664 296 HD2 PHE 37 HD1 PHE 37 -0.342 -7.423 -9.500 297 HE1 PHE 37 HE2 PHE 37 1.180 -4.625 -5.752 298 HE2 PHE 37 HE1 PHE 37 -1.815 -5.676 -8.597 299 HZ PHE 37 HZ PHE 37 -1.054 -4.275 -6.719 300 H SER 38 H SER 38 0.976 -10.776 -9.044 301 HA SER 38 HA SER 38 -1.455 -10.681 -7.713 302 HB2 SER 38 HB2 SER 38 -0.398 -13.134 -9.124 303 HB3 SER 38 HB3 SER 38 -2.069 -12.573 -9.021 304 HG SER 38 HG SER 38 -1.587 -11.729 -10.907 305 H GLU 39 H GLU 39 1.249 -12.913 -7.302 306 HA GLU 39 HA GLU 39 0.199 -14.573 -5.319 307 HB2 GLU 39 HB2 GLU 39 2.912 -13.814 -6.261 308 HB3 GLU 39 HB3 GLU 39 2.803 -14.580 -4.684 309 HG2 GLU 39 HG2 GLU 39 1.575 -15.770 -7.147 310 HG3 GLU 39 HG3 GLU 39 3.241 -16.076 -6.658 311 H PHE 40 H PHE 40 2.409 -11.822 -4.949 312 HA PHE 40 HA PHE 40 2.549 -12.057 -2.144 313 HB2 PHE 40 HB2 PHE 40 4.233 -11.026 -3.770 314 HB3 PHE 40 HB3 PHE 40 3.225 -9.583 -3.727 315 HD1 PHE 40 HD1 PHE 40 5.001 -11.943 -1.465 316 HD2 PHE 40 HD2 PHE 40 3.651 -7.967 -2.143 317 HE1 PHE 40 HE1 PHE 40 6.189 -11.197 0.557 318 HE2 PHE 40 HE2 PHE 40 4.839 -7.217 -0.126 319 HZ PHE 40 HZ PHE 40 6.107 -8.826 1.226 320 H SER 41 H SER 41 0.771 -9.796 -4.239 321 HA SER 41 HA SER 41 -0.191 -8.126 -2.215 322 HB2 SER 41 HB2 SER 41 -0.293 -7.575 -4.621 323 HB3 SER 41 HB3 SER 41 -1.520 -8.818 -4.848 324 HG SER 41 HG SER 41 -1.834 -6.640 -3.057 325 H LYS 42 H LYS 42 -1.564 -11.091 -3.584 326 HA LYS 42 HA LYS 42 -4.014 -10.883 -2.158 327 HB2 LYS 42 HB2 LYS 42 -3.650 -12.197 -4.276 328 HB3 LYS 42 HB3 LYS 42 -2.801 -13.394 -3.308 329 HG2 LYS 42 HG2 LYS 42 -4.845 -13.723 -1.969 330 HG3 LYS 42 HG3 LYS 42 -5.685 -12.579 -3.017 331 HD2 LYS 42 HD2 LYS 42 -6.262 -14.666 -3.893 332 HD3 LYS 42 HD3 LYS 42 -4.956 -14.115 -4.942 333 HE2 LYS 42 HE2 LYS 42 -4.548 -16.406 -4.433 334 HE3 LYS 42 HE3 LYS 42 -3.375 -15.448 -3.531 335 HZ1 LYS 42 HZ1 LYS 42 -4.601 -15.753 -1.536 336 HZ2 LYS 42 HZ2 LYS 42 -4.469 -17.286 -2.254 337 HZ3 LYS 42 HZ3 LYS 42 -5.919 -16.425 -2.360 338 H LYS 43 H LYS 43 -1.167 -13.007 -1.708 339 HA LYS 43 HA LYS 43 -2.311 -14.354 0.498 340 HB2 LYS 43 HB2 LYS 43 -0.140 -15.382 0.826 341 HB3 LYS 43 HB3 LYS 43 -0.544 -15.346 -0.882 342 HG2 LYS 43 HG2 LYS 43 0.936 -13.436 -1.202 343 HG3 LYS 43 HG3 LYS 43 1.333 -13.452 0.517 344 HD2 LYS 43 HD2 LYS 43 3.116 -14.586 -0.478 345 HD3 LYS 43 HD3 LYS 43 2.079 -15.881 0.114 346 HE2 LYS 43 HE2 LYS 43 2.112 -14.847 -2.721 347 HE3 LYS 43 HE3 LYS 43 2.964 -16.285 -2.167 348 HZ1 LYS 43 HZ1 LYS 43 0.865 -16.838 -3.230 349 HZ2 LYS 43 HZ2 LYS 43 0.022 -15.889 -2.109 350 HZ3 LYS 43 HZ3 LYS 43 0.834 -17.279 -1.587 351 H CYS 44 H CYS 44 -0.234 -11.520 0.285 352 HA CYS 44 HA CYS 44 0.240 -11.400 3.097 353 HB2 CYS 44 HB2 CYS 44 0.548 -9.325 0.925 354 HB3 CYS 44 HB3 CYS 44 1.007 -9.059 2.606 355 HG CYS 44 HG CYS 44 3.419 -9.789 2.097 356 H SER 45 H SER 45 -2.176 -10.042 0.917 357 HA SER 45 HA SER 45 -3.402 -8.296 2.748 358 HB2 SER 45 HB2 SER 45 -3.916 -8.257 0.347 359 HB3 SER 45 HB3 SER 45 -4.655 -9.851 0.469 360 HG SER 45 HG SER 45 -5.528 -7.521 1.852 361 H GLU 46 H GLU 46 -4.126 -11.669 1.912 362 HA GLU 46 HA GLU 46 -6.211 -12.106 3.710 363 HB2 GLU 46 HB2 GLU 46 -4.123 -14.116 2.849 364 HB3 GLU 46 HB3 GLU 46 -5.750 -14.467 3.414 365 HG2 GLU 46 HG2 GLU 46 -6.702 -13.443 1.451 366 HG3 GLU 46 HG3 GLU 46 -5.105 -12.936 0.906 367 H ARG 47 H ARG 47 -2.715 -12.477 4.133 368 HA ARG 47 HA ARG 47 -2.793 -13.444 6.780 369 HB2 ARG 47 HB2 ARG 47 -0.785 -13.604 5.381 370 HB3 ARG 47 HB3 ARG 47 -0.636 -11.852 5.379 371 HG2 ARG 47 HG2 ARG 47 -0.288 -11.888 7.804 372 HG3 ARG 47 HG3 ARG 47 -0.405 -13.648 7.783 373 HD2 ARG 47 HD2 ARG 47 1.556 -13.806 6.388 374 HD3 ARG 47 HD3 ARG 47 1.637 -12.050 6.245 375 HE ARG 47 HE ARG 47 1.867 -13.308 8.892 376 HH11 ARG 47 HH11 ARG 47 3.372 -11.575 6.239 377 HH12 ARG 47 HH12 ARG 47 4.674 -10.967 7.223 378 HH21 ARG 47 HH21 ARG 47 3.593 -12.506 10.169 379 HH22 ARG 47 HH22 ARG 47 4.804 -11.504 9.427 380 H TRP 48 H TRP 48 -2.295 -10.163 5.497 381 HA TRP 48 HA TRP 48 -2.024 -8.768 7.865 382 HB2 TRP 48 HB2 TRP 48 -1.610 -7.538 5.909 383 HB3 TRP 48 HB3 TRP 48 -3.146 -7.994 5.181 384 HD1 TRP 48 HD1 TRP 48 -5.250 -6.515 5.729 385 HE1 TRP 48 HE1 TRP 48 -5.563 -4.249 6.910 386 HE3 TRP 48 HE3 TRP 48 -0.623 -6.052 7.844 387 HZ2 TRP 48 HZ2 TRP 48 -4.048 -2.492 8.518 388 HZ3 TRP 48 HZ3 TRP 48 -0.133 -4.049 9.185 389 HH2 TRP 48 HH2 TRP 48 -1.810 -2.306 9.512 390 H LYS 49 H LYS 49 -5.034 -9.407 6.083 391 HA LYS 49 HA LYS 49 -6.736 -7.979 7.761 392 HB2 LYS 49 HB2 LYS 49 -7.400 -10.446 6.141 393 HB3 LYS 49 HB3 LYS 49 -8.562 -9.293 6.777 394 HG2 LYS 49 HG2 LYS 49 -7.568 -7.538 5.348 395 HG3 LYS 49 HG3 LYS 49 -6.465 -8.743 4.684 396 HD2 LYS 49 HD2 LYS 49 -8.318 -10.024 3.807 397 HD3 LYS 49 HD3 LYS 49 -9.473 -8.930 4.569 398 HE2 LYS 49 HE2 LYS 49 -8.679 -7.099 3.161 399 HE3 LYS 49 HE3 LYS 49 -7.499 -8.174 2.411 400 HZ1 LYS 49 HZ1 LYS 49 -9.279 -9.494 1.504 401 HZ2 LYS 49 HZ2 LYS 49 -9.523 -7.875 1.063 402 HZ3 LYS 49 HZ3 LYS 49 -10.444 -8.564 2.308 403 H THR 50 H THR 50 -5.417 -11.192 8.097 404 HA THR 50 HA THR 50 -7.236 -11.769 10.313 405 HB THR 50 HB THR 50 -6.245 -14.065 10.182 406 HG1 THR 50 HG1 THR 50 -5.276 -13.335 7.628 407 HG21 THR 50 HG21 THR 50 -8.377 -13.505 9.116 408 HG22 THR 50 HG22 THR 50 -7.476 -14.694 8.172 409 HG23 THR 50 HG23 THR 50 -7.515 -13.006 7.660 410 H MET 51 H MET 51 -4.361 -10.219 10.090 411 HA MET 51 HA MET 51 -2.823 -11.621 12.044 412 HB2 MET 51 HB2 MET 51 -2.612 -8.808 10.986 413 HB3 MET 51 HB3 MET 51 -1.523 -9.451 12.206 414 HG2 MET 51 HG2 MET 51 -1.085 -11.333 10.516 415 HG3 MET 51 HG3 MET 51 -1.821 -10.242 9.343 416 HE1 MET 51 HE1 MET 51 -0.872 -7.688 8.961 417 HE2 MET 51 HE2 MET 51 0.568 -7.090 9.784 418 HE3 MET 51 HE3 MET 51 -0.890 -7.453 10.708 419 H SER 52 H SER 52 -2.178 -10.725 14.119 420 HA SER 52 HA SER 52 -4.493 -10.071 15.678 421 HB2 SER 52 HB2 SER 52 -1.617 -10.245 16.596 422 HB3 SER 52 HB3 SER 52 -3.070 -10.461 17.571 423 HG SER 52 HG SER 52 -3.374 -12.212 15.724 424 H ALA 53 H ALA 53 -4.455 -8.299 17.292 425 HA ALA 53 HA ALA 53 -4.093 -5.788 16.088 426 HB1 ALA 53 HB1 ALA 53 -4.315 -6.409 19.030 427 HB2 ALA 53 HB2 ALA 53 -5.671 -6.215 17.919 428 HB3 ALA 53 HB3 ALA 53 -4.614 -4.848 18.265 429 H LYS 54 H LYS 54 -2.047 -7.656 18.246 430 HA LYS 54 HA LYS 54 -0.045 -5.802 18.798 431 HB2 LYS 54 HB2 LYS 54 -0.153 -7.995 19.859 432 HB3 LYS 54 HB3 LYS 54 0.164 -8.785 18.323 433 HG2 LYS 54 HG2 LYS 54 2.170 -8.825 19.587 434 HG3 LYS 54 HG3 LYS 54 2.388 -7.654 18.286 435 HD2 LYS 54 HD2 LYS 54 3.298 -6.760 20.331 436 HD3 LYS 54 HD3 LYS 54 1.861 -5.842 19.884 437 HE2 LYS 54 HE2 LYS 54 1.965 -6.342 22.300 438 HE3 LYS 54 HE3 LYS 54 0.542 -7.035 21.524 439 HZ1 LYS 54 HZ1 LYS 54 2.968 -8.678 21.801 440 HZ2 LYS 54 HZ2 LYS 54 1.341 -9.158 21.748 441 HZ3 LYS 54 HZ3 LYS 54 1.974 -8.446 23.151 442 H GLU 55 H GLU 55 -0.339 -8.041 16.065 443 HA GLU 55 HA GLU 55 2.081 -7.263 14.814 444 HB2 GLU 55 HB2 GLU 55 -0.364 -8.664 13.729 445 HB3 GLU 55 HB3 GLU 55 1.130 -8.455 12.826 446 HG2 GLU 55 HG2 GLU 55 0.901 -9.904 15.453 447 HG3 GLU 55 HG3 GLU 55 0.916 -10.676 13.867 448 H LYS 56 H LYS 56 -1.309 -6.410 14.186 449 HA LYS 56 HA LYS 56 -0.809 -4.748 11.977 450 HB2 LYS 56 HB2 LYS 56 -3.081 -4.757 13.966 451 HB3 LYS 56 HB3 LYS 56 -3.061 -3.763 12.517 452 HG2 LYS 56 HG2 LYS 56 -2.925 -5.775 11.133 453 HG3 LYS 56 HG3 LYS 56 -2.944 -6.774 12.588 454 HD2 LYS 56 HD2 LYS 56 -5.157 -5.954 13.148 455 HD3 LYS 56 HD3 LYS 56 -5.134 -4.876 11.751 456 HE2 LYS 56 HE2 LYS 56 -4.984 -6.815 10.262 457 HE3 LYS 56 HE3 LYS 56 -5.015 -7.890 11.658 458 HZ1 LYS 56 HZ1 LYS 56 -7.222 -7.050 12.201 459 HZ2 LYS 56 HZ2 LYS 56 -7.191 -7.710 10.643 460 HZ3 LYS 56 HZ3 LYS 56 -7.187 -6.030 10.845 461 H GLY 57 H GLY 57 -1.010 -4.023 15.443 462 HA2 GLY 57 HA2 GLY 57 -0.614 -1.223 15.175 463 HA3 GLY 57 HA3 GLY 57 -0.341 -2.168 16.633 464 H LYS 58 H LYS 58 1.569 -3.946 15.475 465 HA LYS 58 HA LYS 58 3.970 -2.585 15.912 466 HB2 LYS 58 HB2 LYS 58 3.762 -5.004 16.128 467 HB3 LYS 58 HB3 LYS 58 3.431 -5.152 14.410 468 HG2 LYS 58 HG2 LYS 58 5.706 -4.284 13.945 469 HG3 LYS 58 HG3 LYS 58 6.021 -4.300 15.683 470 HD2 LYS 58 HD2 LYS 58 6.909 -6.313 14.693 471 HD3 LYS 58 HD3 LYS 58 5.524 -6.728 15.708 472 HE2 LYS 58 HE2 LYS 58 4.110 -6.753 13.663 473 HE3 LYS 58 HE3 LYS 58 5.561 -6.467 12.697 474 HZ1 LYS 58 HZ1 LYS 58 5.267 -8.756 12.637 475 HZ2 LYS 58 HZ2 LYS 58 4.829 -8.861 14.267 476 HZ3 LYS 58 HZ3 LYS 58 6.444 -8.555 13.841 477 H PHE 59 H PHE 59 2.417 -3.564 12.857 478 HA PHE 59 HA PHE 59 4.409 -2.358 11.229 479 HB2 PHE 59 HB2 PHE 59 1.609 -3.291 10.630 480 HB3 PHE 59 HB3 PHE 59 2.661 -2.594 9.403 481 HD1 PHE 59 HD2 PHE 59 4.855 -3.726 8.910 482 HD2 PHE 59 HD1 PHE 59 1.814 -5.547 11.259 483 HE1 PHE 59 HE2 PHE 59 5.896 -5.927 8.542 484 HE2 PHE 59 HE1 PHE 59 2.845 -7.749 10.899 485 HZ PHE 59 HZ PHE 59 4.891 -7.940 9.538 486 H GLU 60 H GLU 60 1.475 -1.198 12.729 487 HA GLU 60 HA GLU 60 1.260 1.254 11.346 488 HB2 GLU 60 HB2 GLU 60 -0.510 0.392 12.863 489 HB3 GLU 60 HB3 GLU 60 0.548 0.693 14.237 490 HG2 GLU 60 HG2 GLU 60 0.599 3.125 13.199 491 HG3 GLU 60 HG3 GLU 60 -0.946 2.606 12.534 492 H ASP 61 H ASP 61 3.141 0.230 14.153 493 HA ASP 61 HA ASP 61 4.107 2.743 14.926 494 HB2 ASP 61 HB2 ASP 61 5.359 -0.011 15.153 495 HB3 ASP 61 HB3 ASP 61 6.044 1.425 15.893 496 H MET 62 H MET 62 5.590 0.308 12.787 497 HA MET 62 HA MET 62 7.817 1.924 12.127 498 HB2 MET 62 HB2 MET 62 6.591 -0.428 10.682 499 HB3 MET 62 HB3 MET 62 8.122 0.318 10.229 500 HG2 MET 62 HG2 MET 62 8.988 -0.208 12.486 501 HG3 MET 62 HG3 MET 62 7.478 -1.047 12.835 502 HE1 MET 62 HE1 MET 62 7.585 -4.000 10.258 503 HE2 MET 62 HE2 MET 62 6.855 -2.414 10.008 504 HE3 MET 62 HE3 MET 62 6.673 -3.233 11.559 505 H ALA 63 H ALA 63 4.596 1.642 10.793 506 HA ALA 63 HA ALA 63 5.104 3.125 8.421 507 HB1 ALA 63 HB1 ALA 63 2.511 2.647 9.884 508 HB2 ALA 63 HB2 ALA 63 3.183 1.647 8.593 509 HB3 ALA 63 HB3 ALA 63 2.663 3.298 8.252 510 H LYS 64 H LYS 64 3.864 4.004 11.640 511 HA LYS 64 HA LYS 64 3.471 6.740 10.908 512 HB2 LYS 64 HB2 LYS 64 2.847 7.128 13.162 513 HB3 LYS 64 HB3 LYS 64 2.208 5.562 12.713 514 HG2 LYS 64 HG2 LYS 64 3.771 4.424 14.027 515 HG3 LYS 64 HG3 LYS 64 4.753 5.879 14.248 516 HD2 LYS 64 HD2 LYS 64 3.310 6.793 15.778 517 HD3 LYS 64 HD3 LYS 64 1.905 5.965 15.108 518 HE2 LYS 64 HE2 LYS 64 4.101 4.572 16.623 519 HE3 LYS 64 HE3 LYS 64 2.630 5.184 17.379 520 HZ1 LYS 64 HZ1 LYS 64 1.309 3.709 16.090 521 HZ2 LYS 64 HZ2 LYS 64 2.572 2.790 16.760 522 HZ3 LYS 64 HZ3 LYS 64 2.628 3.251 15.134 523 H ALA 65 H ALA 65 6.058 4.879 12.208 524 HA ALA 65 HA ALA 65 7.773 6.926 13.068 525 HB1 ALA 65 HB1 ALA 65 8.512 4.306 11.765 526 HB2 ALA 65 HB2 ALA 65 8.199 4.547 13.484 527 HB3 ALA 65 HB3 ALA 65 9.582 5.330 12.722 528 H ASP 66 H ASP 66 7.459 5.353 9.898 529 HA ASP 66 HA ASP 66 9.323 7.107 8.611 530 HB2 ASP 66 HB2 ASP 66 8.267 4.668 7.987 531 HB3 ASP 66 HB3 ASP 66 7.332 5.718 6.928 532 H LYS 67 H LYS 67 5.920 7.101 9.228 533 HA LYS 67 HA LYS 67 4.948 8.959 7.423 534 HB2 LYS 67 HB2 LYS 67 3.517 7.679 8.894 535 HB3 LYS 67 HB3 LYS 67 4.215 8.443 10.306 536 HG2 LYS 67 HG2 LYS 67 2.810 10.130 8.289 537 HG3 LYS 67 HG3 LYS 67 1.869 9.159 9.423 538 HD2 LYS 67 HD2 LYS 67 3.430 10.240 11.213 539 HD3 LYS 67 HD3 LYS 67 3.714 11.454 9.963 540 HE2 LYS 67 HE2 LYS 67 1.928 12.224 11.354 541 HE3 LYS 67 HE3 LYS 67 1.243 11.755 9.799 542 HZ1 LYS 67 HZ1 LYS 67 0.563 9.646 10.776 543 HZ2 LYS 67 HZ2 LYS 67 -0.105 10.948 11.633 544 HZ3 LYS 67 HZ3 LYS 67 1.221 10.103 12.271 545 H ALA 68 H ALA 68 6.378 9.559 10.638 546 HA ALA 68 HA ALA 68 6.293 12.404 10.382 547 HB1 ALA 68 HB1 ALA 68 7.724 12.425 12.364 548 HB2 ALA 68 HB2 ALA 68 7.991 10.689 12.202 549 HB3 ALA 68 HB3 ALA 68 6.379 11.303 12.568 550 H ARG 69 H ARG 69 8.652 9.922 9.636 551 HA ARG 69 HA ARG 69 10.874 11.531 9.086 552 HB2 ARG 69 HB2 ARG 69 11.131 9.144 9.221 553 HB3 ARG 69 HB3 ARG 69 9.965 8.889 7.931 554 HG2 ARG 69 HG2 ARG 69 11.549 10.020 6.374 555 HG3 ARG 69 HG3 ARG 69 12.728 10.054 7.689 556 HD2 ARG 69 HD2 ARG 69 12.762 7.668 7.801 557 HD3 ARG 69 HD3 ARG 69 11.415 7.541 6.670 558 HE ARG 69 HE ARG 69 14.099 8.538 5.938 559 HH11 ARG 69 HH11 ARG 69 11.157 6.781 5.225 560 HH12 ARG 69 HH12 ARG 69 11.660 6.340 3.622 561 HH21 ARG 69 HH21 ARG 69 14.765 7.975 3.813 562 HH22 ARG 69 HH22 ARG 69 13.703 7.025 2.821 563 H TYR 70 H TYR 70 8.170 10.483 7.085 564 HA TYR 70 HA TYR 70 8.834 11.648 4.676 565 HB2 TYR 70 HB2 TYR 70 6.940 10.126 5.020 566 HB3 TYR 70 HB3 TYR 70 6.116 11.352 5.972 567 HD1 TYR 70 HD2 TYR 70 7.183 10.381 2.600 568 HD2 TYR 70 HD1 TYR 70 4.941 13.155 4.909 569 HE1 TYR 70 HE2 TYR 70 6.110 11.200 0.558 570 HE2 TYR 70 HE1 TYR 70 3.853 13.979 2.872 571 HH TYR 70 HH TYR 70 4.404 14.064 0.391 572 H GLU 71 H GLU 71 7.058 13.024 7.417 573 HA GLU 71 HA GLU 71 6.437 15.494 6.292 574 HB2 GLU 71 HB2 GLU 71 6.966 14.884 9.206 575 HB3 GLU 71 HB3 GLU 71 5.974 16.176 8.567 576 HG2 GLU 71 HG2 GLU 71 4.529 14.404 7.524 577 HG3 GLU 71 HG3 GLU 71 5.434 13.238 8.483 578 H ARG 72 H ARG 72 9.242 14.431 8.152 579 HA ARG 72 HA ARG 72 10.459 17.004 8.273 580 HB2 ARG 72 HB2 ARG 72 11.743 14.292 8.609 581 HB3 ARG 72 HB3 ARG 72 12.402 15.834 9.136 582 HG2 ARG 72 HG2 ARG 72 9.813 14.706 10.170 583 HG3 ARG 72 HG3 ARG 72 11.376 14.419 10.931 584 HD2 ARG 72 HD2 ARG 72 10.243 16.221 12.058 585 HD3 ARG 72 HD3 ARG 72 11.660 16.840 11.221 586 HE ARG 72 HE ARG 72 10.056 17.622 9.470 587 HH11 ARG 72 HH11 ARG 72 8.882 16.986 12.699 588 HH12 ARG 72 HH12 ARG 72 7.675 18.242 12.645 589 HH21 ARG 72 HH21 ARG 72 8.432 19.247 9.380 590 HH22 ARG 72 HH22 ARG 72 7.438 19.526 10.777 591 H GLU 73 H GLU 73 10.850 14.187 6.154 592 HA GLU 73 HA GLU 73 13.064 15.271 4.732 593 HB2 GLU 73 HB2 GLU 73 12.476 12.828 4.907 594 HB3 GLU 73 HB3 GLU 73 11.158 13.127 3.784 595 HG2 GLU 73 HG2 GLU 73 12.540 13.354 1.995 596 HG3 GLU 73 HG3 GLU 73 13.877 13.977 2.962 597 H MET 74 H MET 74 9.584 15.453 4.331 598 HA MET 74 HA MET 74 9.544 16.608 1.758 599 HB2 MET 74 HB2 MET 74 7.651 16.828 4.092 600 HB3 MET 74 HB3 MET 74 7.345 17.630 2.562 601 HG2 MET 74 HG2 MET 74 7.878 14.701 2.588 602 HG3 MET 74 HG3 MET 74 6.303 15.299 3.096 603 HE1 MET 74 HE1 MET 74 8.058 15.571 -1.163 604 HE2 MET 74 HE2 MET 74 8.809 14.757 0.212 605 HE3 MET 74 HE3 MET 74 8.776 16.519 0.138 606 H LYS 75 H LYS 75 10.128 17.939 4.941 607 HA LYS 75 HA LYS 75 9.906 20.661 4.226 608 HB2 LYS 75 HB2 LYS 75 9.895 19.636 6.568 609 HB3 LYS 75 HB3 LYS 75 11.647 19.574 6.430 610 HG2 LYS 75 HG2 LYS 75 10.864 21.557 7.641 611 HG3 LYS 75 HG3 LYS 75 11.756 21.961 6.170 612 HD2 LYS 75 HD2 LYS 75 9.636 22.276 4.981 613 HD3 LYS 75 HD3 LYS 75 8.754 21.896 6.459 614 HE2 LYS 75 HE2 LYS 75 10.691 24.189 6.180 615 HE3 LYS 75 HE3 LYS 75 8.945 24.333 5.993 616 HZ1 LYS 75 HZ1 LYS 75 10.408 23.525 8.450 617 HZ2 LYS 75 HZ2 LYS 75 8.722 23.475 8.288 618 HZ3 LYS 75 HZ3 LYS 75 9.540 24.961 8.201 619 H THR 76 H THR 76 12.440 18.298 3.917 620 HA THR 76 HA THR 76 14.404 20.323 3.162 621 HB THR 76 HB THR 76 15.957 18.385 2.929 622 HG1 THR 76 HG1 THR 76 13.735 16.971 2.884 623 HG21 THR 76 HG21 THR 76 16.120 17.904 5.322 624 HG22 THR 76 HG22 THR 76 14.495 18.549 5.560 625 HG23 THR 76 HG23 THR 76 15.798 19.615 5.034 626 H TYR 77 H TYR 77 11.893 19.097 1.687 627 HA TYR 77 HA TYR 77 13.193 18.416 -0.848 628 HB2 TYR 77 HB2 TYR 77 11.508 16.838 0.060 629 HB3 TYR 77 HB3 TYR 77 10.299 18.115 0.004 630 HD1 TYR 77 HD1 TYR 77 9.653 19.071 -2.256 631 HD2 TYR 77 HD2 TYR 77 11.942 15.507 -1.836 632 HE1 TYR 77 HE1 TYR 77 9.070 18.439 -4.554 633 HE2 TYR 77 HE2 TYR 77 11.370 14.868 -4.139 634 HH TYR 77 HH TYR 77 10.013 15.302 -5.892 635 H ILE 78 H ILE 78 13.423 19.994 -2.263 636 HA ILE 78 HA ILE 78 11.618 22.293 -2.145 637 HB ILE 78 HB ILE 78 14.253 21.975 -3.606 638 HG12 ILE 78 HG12 ILE 78 14.864 23.904 -1.995 639 HG13 ILE 78 HG13 ILE 78 13.446 23.412 -1.079 640 HG21 ILE 78 HG21 ILE 78 12.431 24.369 -3.412 641 HG22 ILE 78 HG22 ILE 78 12.758 23.419 -4.862 642 HG23 ILE 78 HG23 ILE 78 14.045 24.368 -4.119 643 HD11 ILE 78 HD11 ILE 78 14.418 21.199 -0.760 644 HD12 ILE 78 HD12 ILE 78 15.486 22.467 -0.156 645 HD13 ILE 78 HD13 ILE 78 15.830 21.683 -1.700 646 HA PRO 79 HA PRO 79 9.332 20.284 -5.418 647 HB2 PRO 79 HB2 PRO 79 8.118 22.989 -5.580 648 HB3 PRO 79 HB3 PRO 79 7.338 21.414 -5.388 649 HG2 PRO 79 HG2 PRO 79 7.528 23.094 -3.331 650 HG3 PRO 79 HG3 PRO 79 7.734 21.347 -3.106 651 HD2 PRO 79 HD2 PRO 79 9.808 23.501 -3.217 652 HD3 PRO 79 HD3 PRO 79 9.728 22.062 -2.180 653 HA PRO 80 HA PRO 80 11.408 21.613 -9.143 654 HB2 PRO 80 HB2 PRO 80 8.931 20.636 -10.464 655 HB3 PRO 80 HB3 PRO 80 10.614 20.178 -10.748 656 HG2 PRO 80 HG2 PRO 80 8.959 18.530 -9.464 657 HG3 PRO 80 HG3 PRO 80 10.651 18.699 -8.957 658 HD2 PRO 80 HD2 PRO 80 8.180 19.869 -7.736 659 HD3 PRO 80 HD3 PRO 80 9.611 19.174 -6.943 660 H LYS 81 H LYS 81 11.331 23.337 -10.529 661 HA LYS 81 HA LYS 81 9.551 25.449 -9.800 662 HB2 LYS 81 HB2 LYS 81 11.495 25.344 -12.113 663 HB3 LYS 81 HB3 LYS 81 10.806 26.789 -11.386 664 HG2 LYS 81 HG2 LYS 81 12.648 24.852 -9.998 665 HG3 LYS 81 HG3 LYS 81 13.123 26.401 -10.694 666 HD2 LYS 81 HD2 LYS 81 11.032 26.113 -8.545 667 HD3 LYS 81 HD3 LYS 81 12.739 26.411 -8.210 668 HE2 LYS 81 HE2 LYS 81 10.943 28.175 -9.868 669 HE3 LYS 81 HE3 LYS 81 11.410 28.478 -8.195 670 HZ1 LYS 81 HZ1 LYS 81 13.150 28.469 -10.597 671 HZ2 LYS 81 HZ2 LYS 81 13.768 28.433 -9.018 672 HZ3 LYS 81 HZ3 LYS 81 12.847 29.757 -9.535 673 H GLY 82 H GLY 82 7.878 26.341 -10.907 674 HA2 GLY 82 HA2 GLY 82 6.909 24.816 -13.250 675 HA3 GLY 82 HA3 GLY 82 5.864 25.622 -12.083 676 H GLU 83 H GLU 83 5.571 27.840 -12.184 677 HA GLU 83 HA GLU 83 6.361 29.084 -14.704 678 HB2 GLU 83 HB2 GLU 83 4.430 29.867 -12.530 679 HB3 GLU 83 HB3 GLU 83 4.909 30.997 -13.786 680 HG2 GLU 83 HG2 GLU 83 2.837 30.042 -14.423 681 HG3 GLU 83 HG3 GLU 83 4.079 29.369 -15.474 682 H LEU 14 H LEU 14 -21.152 -31.513 -23.507 683 HA LEU 14 HA LEU 14 -23.801 -32.360 -23.112 684 HB2 LEU 14 HB2 LEU 14 -24.781 -29.966 -23.316 685 HB3 LEU 14 HB3 LEU 14 -24.328 -30.587 -21.744 686 HG LEU 14 HG LEU 14 -22.179 -29.311 -21.925 687 HD11 LEU 14 HD11 LEU 14 -22.074 -29.095 -24.348 688 HD12 LEU 14 HD12 LEU 14 -22.017 -27.519 -23.563 689 HD13 LEU 14 HD13 LEU 14 -23.509 -28.069 -24.326 690 HD21 LEU 14 HD21 LEU 14 -24.041 -28.451 -20.641 691 HD22 LEU 14 HD22 LEU 14 -24.738 -27.729 -22.090 692 HD23 LEU 14 HD23 LEU 14 -23.206 -27.130 -21.458 693 H SER 15 H SER 15 -25.254 -31.609 -24.934 694 HA SER 15 HA SER 15 -23.686 -31.650 -27.385 695 HB2 SER 15 HB2 SER 15 -25.892 -32.050 -28.476 696 HB3 SER 15 HB3 SER 15 -25.525 -33.223 -27.210 697 HG SER 15 HG SER 15 -27.648 -31.645 -27.420 698 H GLN 16 H GLN 16 -24.878 -29.309 -25.418 699 HA GLN 16 HA GLN 16 -25.886 -27.506 -27.454 700 HB2 GLN 16 HB2 GLN 16 -25.433 -27.108 -24.494 701 HB3 GLN 16 HB3 GLN 16 -26.206 -25.946 -25.561 702 HG2 GLN 16 HG2 GLN 16 -28.001 -27.543 -25.998 703 HG3 GLN 16 HG3 GLN 16 -27.224 -28.707 -24.923 704 HE21 GLN 16 HE21 GLN 16 -26.366 -26.597 -23.084 705 HE22 GLN 16 HE22 GLN 16 -27.772 -26.129 -22.197 706 H GLU 17 H GLU 17 -23.379 -28.037 -28.203 707 HA GLU 17 HA GLU 17 -21.284 -26.620 -27.039 708 HB2 GLU 17 HB2 GLU 17 -20.173 -26.784 -29.254 709 HB3 GLU 17 HB3 GLU 17 -20.846 -28.310 -28.699 710 HG2 GLU 17 HG2 GLU 17 -22.754 -28.024 -30.180 711 HG3 GLU 17 HG3 GLU 17 -22.120 -26.465 -30.709 712 H THR 18 H THR 18 -23.518 -25.592 -29.593 713 HA THR 18 HA THR 18 -22.371 -23.056 -30.029 714 HB THR 18 HB THR 18 -25.264 -23.832 -30.434 715 HG1 THR 18 HG1 THR 18 -23.172 -24.072 -32.358 716 HG21 THR 18 HG21 THR 18 -24.834 -21.455 -30.730 717 HG22 THR 18 HG22 THR 18 -25.146 -22.213 -32.291 718 HG23 THR 18 HG23 THR 18 -23.494 -21.813 -31.818 719 H PHE 19 H PHE 19 -24.770 -24.240 -27.761 720 HA PHE 19 HA PHE 19 -25.722 -21.646 -27.020 721 HB2 PHE 19 HB2 PHE 19 -26.117 -24.325 -25.678 722 HB3 PHE 19 HB3 PHE 19 -27.006 -22.852 -25.299 723 HD1 PHE 19 HD2 PHE 19 -28.612 -21.926 -26.890 724 HD2 PHE 19 HD1 PHE 19 -26.605 -25.601 -27.640 725 HE1 PHE 19 HE2 PHE 19 -30.239 -22.448 -28.656 726 HE2 PHE 19 HE1 PHE 19 -28.227 -26.131 -29.413 727 HZ PHE 19 HZ PHE 19 -30.046 -24.552 -29.921 728 H SER 20 H SER 20 -23.412 -23.947 -25.674 729 HA SER 20 HA SER 20 -22.893 -22.364 -23.340 730 HB2 SER 20 HB2 SER 20 -21.270 -24.596 -24.592 731 HB3 SER 20 HB3 SER 20 -21.033 -23.936 -22.971 732 HG SER 20 HG SER 20 -23.512 -24.533 -22.940 733 H ASP 21 H ASP 21 -22.151 -22.006 -26.556 734 HA ASP 21 HA ASP 21 -19.649 -20.561 -26.079 735 HB2 ASP 21 HB2 ASP 21 -19.743 -22.192 -27.947 736 HB3 ASP 21 HB3 ASP 21 -21.041 -21.258 -28.678 737 H LEU 22 H LEU 22 -22.949 -20.036 -26.268 738 HA LEU 22 HA LEU 22 -23.137 -17.659 -27.744 739 HB2 LEU 22 HB2 LEU 22 -24.865 -18.727 -25.521 740 HB3 LEU 22 HB3 LEU 22 -25.268 -17.308 -26.464 741 HG LEU 22 HG LEU 22 -24.948 -20.103 -27.559 742 HD11 LEU 22 HD11 LEU 22 -27.362 -20.004 -27.898 743 HD12 LEU 22 HD12 LEU 22 -27.412 -18.424 -27.115 744 HD13 LEU 22 HD13 LEU 22 -26.949 -19.853 -26.191 745 HD21 LEU 22 HD21 LEU 22 -25.822 -17.552 -28.915 746 HD22 LEU 22 HD22 LEU 22 -25.832 -19.161 -29.636 747 HD23 LEU 22 HD23 LEU 22 -24.303 -18.405 -29.190 748 H TRP 23 H TRP 23 -22.284 -18.196 -24.368 749 HA TRP 23 HA TRP 23 -22.434 -15.331 -23.862 750 HB2 TRP 23 HB2 TRP 23 -22.001 -15.878 -21.516 751 HB3 TRP 23 HB3 TRP 23 -23.358 -16.799 -22.148 752 HD1 TRP 23 HD1 TRP 23 -23.039 -19.446 -22.384 753 HE1 TRP 23 HE1 TRP 23 -21.383 -21.076 -21.266 754 HE3 TRP 23 HE3 TRP 23 -19.585 -16.071 -20.703 755 HZ2 TRP 23 HZ2 TRP 23 -18.933 -20.942 -19.880 756 HZ3 TRP 23 HZ3 TRP 23 -17.614 -16.906 -19.490 757 HH2 TRP 23 HH2 TRP 23 -17.297 -19.291 -19.087 758 H LYS 24 H LYS 24 -20.242 -17.291 -25.225 759 HA LYS 24 HA LYS 24 -17.858 -16.296 -23.918 760 HB2 LYS 24 HB2 LYS 24 -18.326 -18.058 -26.312 761 HB3 LYS 24 HB3 LYS 24 -16.724 -17.467 -25.899 762 HG2 LYS 24 HG2 LYS 24 -16.878 -18.564 -23.720 763 HG3 LYS 24 HG3 LYS 24 -18.488 -19.159 -24.138 764 HD2 LYS 24 HD2 LYS 24 -17.595 -20.469 -25.941 765 HD3 LYS 24 HD3 LYS 24 -15.995 -19.760 -25.723 766 HE2 LYS 24 HE2 LYS 24 -17.428 -21.440 -23.672 767 HE3 LYS 24 HE3 LYS 24 -16.196 -22.042 -24.780 768 HZ1 LYS 24 HZ1 LYS 24 -14.704 -20.282 -23.790 769 HZ2 LYS 24 HZ2 LYS 24 -15.083 -21.589 -22.786 770 HZ3 LYS 24 HZ3 LYS 24 -15.862 -20.103 -22.568 771 H LEU 25 H LEU 25 -19.795 -14.467 -25.229 772 HA LEU 25 HA LEU 25 -18.631 -13.339 -27.553 773 HB2 LEU 25 HB2 LEU 25 -20.376 -12.037 -25.453 774 HB3 LEU 25 HB3 LEU 25 -20.041 -11.388 -27.047 775 HG LEU 25 HG LEU 25 -21.531 -13.957 -26.497 776 HD11 LEU 25 HD11 LEU 25 -22.541 -11.274 -27.426 777 HD12 LEU 25 HD12 LEU 25 -22.771 -11.954 -25.817 778 HD13 LEU 25 HD13 LEU 25 -23.501 -12.740 -27.214 779 HD21 LEU 25 HD21 LEU 25 -21.034 -12.462 -29.070 780 HD22 LEU 25 HD22 LEU 25 -22.052 -13.891 -28.885 781 HD23 LEU 25 HD23 LEU 25 -20.316 -14.007 -28.610 782 H LEU 26 H LEU 26 -18.124 -12.952 -24.136 783 HA LEU 26 HA LEU 26 -16.402 -10.672 -24.314 784 HB2 LEU 26 HB2 LEU 26 -15.758 -11.596 -21.944 785 HB3 LEU 26 HB3 LEU 26 -17.303 -10.813 -22.210 786 HG LEU 26 HG LEU 26 -18.310 -13.116 -22.462 787 HD11 LEU 26 HD11 LEU 26 -16.276 -14.357 -22.967 788 HD12 LEU 26 HD12 LEU 26 -17.075 -15.002 -21.532 789 HD13 LEU 26 HD13 LEU 26 -15.645 -13.985 -21.362 790 HD21 LEU 26 HD21 LEU 26 -18.381 -13.532 -20.065 791 HD22 LEU 26 HD22 LEU 26 -18.526 -11.811 -20.415 792 HD23 LEU 26 HD23 LEU 26 -16.996 -12.464 -19.831 793 HA PRO 27 HA PRO 27 -12.484 -12.792 -24.936 794 HB2 PRO 27 HB2 PRO 27 -10.900 -11.698 -22.982 795 HB3 PRO 27 HB3 PRO 27 -11.264 -10.892 -24.510 796 HG2 PRO 27 HG2 PRO 27 -12.495 -10.490 -21.817 797 HG3 PRO 27 HG3 PRO 27 -12.064 -9.285 -23.044 798 HD2 PRO 27 HD2 PRO 27 -14.604 -10.127 -22.669 799 HD3 PRO 27 HD3 PRO 27 -13.987 -9.657 -24.265 800 H GLU 28 H GLU 28 -13.166 -14.825 -24.350 801 HA GLU 28 HA GLU 28 -13.291 -15.539 -21.539 802 HB2 GLU 28 HB2 GLU 28 -14.874 -16.230 -23.598 803 HB3 GLU 28 HB3 GLU 28 -13.740 -17.571 -23.658 804 HG2 GLU 28 HG2 GLU 28 -15.422 -16.759 -21.300 805 HG3 GLU 28 HG3 GLU 28 -15.670 -18.160 -22.338 806 H ASN 29 H ASN 29 -11.367 -15.911 -20.671 807 HA ASN 29 HA ASN 29 -9.506 -17.715 -22.081 808 HB2 ASN 29 HB2 ASN 29 -8.909 -15.657 -19.935 809 HB3 ASN 29 HB3 ASN 29 -7.727 -16.747 -20.646 810 HD21 ASN 29 HD21 ASN 29 -9.640 -13.898 -21.103 811 HD22 ASN 29 HD22 ASN 29 -8.874 -13.360 -22.558 812 H ASN 30 H ASN 30 -11.162 -16.991 -19.109 813 HA ASN 30 HA ASN 30 -11.133 -19.632 -18.110 814 HB2 ASN 30 HB2 ASN 30 -8.728 -19.001 -17.727 815 HB3 ASN 30 HB3 ASN 30 -9.271 -17.680 -16.705 816 HD21 ASN 30 HD21 ASN 30 -9.914 -18.096 -14.642 817 HD22 ASN 30 HD22 ASN 30 -9.754 -19.636 -13.876 818 H VAL 31 H VAL 31 -12.910 -17.347 -18.600 819 HA VAL 31 HA VAL 31 -14.179 -15.685 -17.668 820 HB VAL 31 HB VAL 31 -14.510 -17.731 -15.462 821 HG11 VAL 31 HG11 VAL 31 -16.673 -16.654 -15.089 822 HG12 VAL 31 HG12 VAL 31 -16.306 -15.470 -16.346 823 HG13 VAL 31 HG13 VAL 31 -15.347 -15.512 -14.863 824 HG21 VAL 31 HG21 VAL 31 -16.464 -18.491 -16.736 825 HG22 VAL 31 HG22 VAL 31 -14.971 -18.694 -17.653 826 HG23 VAL 31 HG23 VAL 31 -16.058 -17.357 -18.026 827 H LEU 32 H LEU 32 -12.539 -14.180 -17.331 828 HA LEU 32 HA LEU 32 -11.043 -14.279 -14.848 829 HB2 LEU 32 HB2 LEU 32 -10.833 -12.391 -17.193 830 HB3 LEU 32 HB3 LEU 32 -9.753 -12.416 -15.811 831 HG LEU 32 HG LEU 32 -10.092 -14.658 -17.803 832 HD11 LEU 32 HD11 LEU 32 -7.839 -14.060 -18.525 833 HD12 LEU 32 HD12 LEU 32 -7.834 -12.702 -17.400 834 HD13 LEU 32 HD13 LEU 32 -8.962 -12.720 -18.756 835 HD21 LEU 32 HD21 LEU 32 -8.172 -14.358 -15.495 836 HD22 LEU 32 HD22 LEU 32 -8.188 -15.674 -16.671 837 HD23 LEU 32 HD23 LEU 32 -9.542 -15.466 -15.561 838 H SER 33 H SER 33 -11.253 -12.917 -13.190 839 HA SER 33 HA SER 33 -13.491 -11.189 -12.944 840 HB2 SER 33 HB2 SER 33 -10.996 -11.144 -11.234 841 HB3 SER 33 HB3 SER 33 -12.639 -10.717 -10.761 842 HG SER 33 HG SER 33 -11.480 -13.041 -10.486 843 HA PRO 34 HA PRO 34 -11.887 -7.468 -14.783 844 HB2 PRO 34 HB2 PRO 34 -13.179 -5.995 -12.563 845 HB3 PRO 34 HB3 PRO 34 -13.438 -5.855 -14.305 846 HG2 PRO 34 HG2 PRO 34 -15.255 -7.019 -12.724 847 HG3 PRO 34 HG3 PRO 34 -14.930 -7.624 -14.359 848 HD2 PRO 34 HD2 PRO 34 -14.017 -8.708 -11.723 849 HD3 PRO 34 HD3 PRO 34 -14.568 -9.577 -13.170 850 H LEU 35 H LEU 35 -9.748 -7.243 -14.518 851 HA LEU 35 HA LEU 35 -8.677 -6.795 -11.825 852 HB2 LEU 35 HB2 LEU 35 -7.747 -8.647 -13.158 853 HB3 LEU 35 HB3 LEU 35 -7.267 -7.506 -14.398 854 HG LEU 35 HG LEU 35 -5.759 -6.414 -12.736 855 HD11 LEU 35 HD11 LEU 35 -5.213 -7.617 -10.685 856 HD12 LEU 35 HD12 LEU 35 -6.477 -8.796 -11.036 857 HD13 LEU 35 HD13 LEU 35 -6.904 -7.119 -10.705 858 HD21 LEU 35 HD21 LEU 35 -4.906 -8.044 -14.339 859 HD22 LEU 35 HD22 LEU 35 -5.282 -9.353 -13.219 860 HD23 LEU 35 HD23 LEU 35 -4.053 -8.161 -12.798 861 HA PRO 36 HA PRO 36 -7.816 -2.594 -13.166 862 HB2 PRO 36 HB2 PRO 36 -7.222 -1.827 -10.521 863 HB3 PRO 36 HB3 PRO 36 -8.760 -1.623 -11.357 864 HG2 PRO 36 HG2 PRO 36 -8.249 -3.303 -9.158 865 HG3 PRO 36 HG3 PRO 36 -9.711 -3.278 -10.153 866 HD2 PRO 36 HD2 PRO 36 -7.400 -5.141 -10.227 867 HD3 PRO 36 HD3 PRO 36 -9.099 -5.419 -10.666 868 H SER 37 H SER 37 -5.888 -2.523 -14.179 869 HA SER 37 HA SER 37 -3.538 -3.681 -13.042 870 HB2 SER 37 HB2 SER 37 -2.456 -2.681 -15.124 871 HB3 SER 37 HB3 SER 37 -3.742 -3.859 -15.386 872 HG SER 37 HG SER 37 -4.658 -1.277 -15.196 873 H GLN 38 H GLN 38 -4.915 -0.516 -13.030 874 HA GLN 38 HA GLN 38 -2.394 0.562 -11.939 875 HB2 GLN 38 HB2 GLN 38 -3.091 1.472 -14.174 876 HB3 GLN 38 HB3 GLN 38 -4.533 2.117 -13.407 877 HG2 GLN 38 HG2 GLN 38 -2.712 3.771 -13.758 878 HG3 GLN 38 HG3 GLN 38 -3.246 3.628 -12.085 879 HE21 GLN 38 HE21 GLN 38 -0.697 2.908 -14.361 880 HE22 GLN 38 HE22 GLN 38 0.532 2.610 -13.179 881 H ALA 39 H ALA 39 -4.971 -0.689 -10.756 882 HA ALA 39 HA ALA 39 -5.208 1.326 -8.652 883 HB1 ALA 39 HB1 ALA 39 -7.621 1.059 -8.498 884 HB2 ALA 39 HB2 ALA 39 -7.599 -0.057 -9.863 885 HB3 ALA 39 HB3 ALA 39 -7.163 1.635 -10.100 886 H MET 40 H MET 40 -3.897 0.102 -7.395 887 HA MET 40 HA MET 40 -5.225 -2.260 -6.270 888 HB2 MET 40 HB2 MET 40 -2.271 -2.012 -6.836 889 HB3 MET 40 HB3 MET 40 -3.023 -3.280 -5.883 890 HG2 MET 40 HG2 MET 40 -3.579 -2.739 -8.785 891 HG3 MET 40 HG3 MET 40 -2.525 -4.006 -8.163 892 HE1 MET 40 HE1 MET 40 -4.287 -4.750 -5.502 893 HE2 MET 40 HE2 MET 40 -3.456 -5.951 -6.489 894 HE3 MET 40 HE3 MET 40 -5.164 -6.153 -6.111 895 H ASP 41 H ASP 41 -4.267 0.792 -5.754 896 HA ASP 41 HA ASP 41 -3.231 0.676 -3.107 897 HB2 ASP 41 HB2 ASP 41 -3.840 3.021 -2.934 898 HB3 ASP 41 HB3 ASP 41 -3.167 2.732 -4.536 899 H ASP 42 H ASP 42 -6.116 -0.184 -4.450 900 HA ASP 42 HA ASP 42 -8.097 0.118 -2.596 901 HB2 ASP 42 HB2 ASP 42 -8.452 -1.086 -4.664 902 HB3 ASP 42 HB3 ASP 42 -7.291 -2.331 -4.195 903 H LEU 43 H LEU 43 -5.377 -2.114 -2.551 904 HA LEU 43 HA LEU 43 -6.140 -2.914 0.162 905 HB2 LEU 43 HB2 LEU 43 -4.447 -4.275 -1.919 906 HB3 LEU 43 HB3 LEU 43 -4.488 -4.796 -0.247 907 HG LEU 43 HG LEU 43 -6.812 -4.788 -2.173 908 HD11 LEU 43 HD11 LEU 43 -6.693 -7.201 -1.952 909 HD12 LEU 43 HD12 LEU 43 -5.330 -7.054 -0.840 910 HD13 LEU 43 HD13 LEU 43 -5.150 -6.569 -2.528 911 HD21 LEU 43 HD21 LEU 43 -7.546 -4.223 0.080 912 HD22 LEU 43 HD22 LEU 43 -6.672 -5.616 0.720 913 HD23 LEU 43 HD23 LEU 43 -8.052 -5.858 -0.351 914 H MET 44 H MET 44 -3.022 -2.620 -1.628 915 HA MET 44 HA MET 44 -2.019 -1.276 0.755 916 HB2 MET 44 HB2 MET 44 0.030 -2.587 0.767 917 HB3 MET 44 HB3 MET 44 -1.404 -3.542 1.078 918 HG2 MET 44 HG2 MET 44 0.022 -3.426 -1.562 919 HG3 MET 44 HG3 MET 44 0.273 -4.638 -0.329 920 HE1 MET 44 HE1 MET 44 -3.215 -6.440 -0.209 921 HE2 MET 44 HE2 MET 44 -2.572 -5.160 0.817 922 HE3 MET 44 HE3 MET 44 -1.542 -6.513 0.350 923 H LEU 45 H LEU 45 -0.818 -2.092 -2.546 924 HA LEU 45 HA LEU 45 0.649 0.445 -2.355 925 HB2 LEU 45 HB2 LEU 45 1.720 -2.253 -3.172 926 HB3 LEU 45 HB3 LEU 45 2.549 -0.758 -3.570 927 HG LEU 45 HG LEU 45 1.939 -1.733 -0.767 928 HD11 LEU 45 HD11 LEU 45 4.330 -2.067 -0.512 929 HD12 LEU 45 HD12 LEU 45 4.613 -1.507 -2.159 930 HD13 LEU 45 HD13 LEU 45 3.752 -3.024 -1.880 931 HD21 LEU 45 HD21 LEU 45 3.419 0.700 -1.747 932 HD22 LEU 45 HD22 LEU 45 3.345 0.161 -0.070 933 HD23 LEU 45 HD23 LEU 45 1.873 0.675 -0.899 934 H SER 46 H SER 46 0.924 1.631 -4.174 935 HA SER 46 HA SER 46 -0.991 1.087 -6.273 936 HB2 SER 46 HB2 SER 46 -0.127 3.482 -6.953 937 HB3 SER 46 HB3 SER 46 -1.200 3.278 -5.570 938 HG SER 46 HG SER 46 1.347 4.216 -5.644 939 HA PRO 47 HA PRO 47 1.848 -0.773 -9.108 940 HB2 PRO 47 HB2 PRO 47 0.047 0.547 -11.080 941 HB3 PRO 47 HB3 PRO 47 0.595 -1.132 -10.999 942 HG2 PRO 47 HG2 PRO 47 -1.859 -0.507 -10.233 943 HG3 PRO 47 HG3 PRO 47 -0.900 -1.672 -9.296 944 HD2 PRO 47 HD2 PRO 47 -1.520 1.193 -8.700 945 HD3 PRO 47 HD3 PRO 47 -1.408 -0.194 -7.596 946 H ASP 48 H ASP 48 0.823 2.584 -9.763 947 HA ASP 48 HA ASP 48 2.754 3.247 -11.660 948 HB2 ASP 48 HB2 ASP 48 0.782 4.638 -11.143 949 HB3 ASP 48 HB3 ASP 48 1.497 5.066 -9.594 950 H ASP 49 H ASP 49 2.873 3.636 -8.137 951 HA ASP 49 HA ASP 49 5.572 4.596 -8.118 952 HB2 ASP 49 HB2 ASP 49 3.956 3.398 -5.850 953 HB3 ASP 49 HB3 ASP 49 5.437 4.334 -5.686 954 H ILE 50 H ILE 50 3.970 1.529 -7.670 955 HA ILE 50 HA ILE 50 5.905 -0.049 -6.582 956 HB ILE 50 HB ILE 50 3.597 -0.492 -8.354 957 HG12 ILE 50 HG12 ILE 50 4.413 -1.522 -5.652 958 HG13 ILE 50 HG13 ILE 50 3.280 -0.221 -5.982 959 HG21 ILE 50 HG21 ILE 50 5.324 -2.053 -9.233 960 HG22 ILE 50 HG22 ILE 50 3.880 -2.834 -8.592 961 HG23 ILE 50 HG23 ILE 50 5.362 -2.811 -7.642 962 HD11 ILE 50 HD11 ILE 50 2.128 -2.268 -5.372 963 HD12 ILE 50 HD12 ILE 50 2.892 -3.109 -6.721 964 HD13 ILE 50 HD13 ILE 50 1.757 -1.796 -7.029 965 H GLU 51 H GLU 51 5.640 0.792 -10.054 966 HA GLU 51 HA GLU 51 7.584 -1.114 -10.862 967 HB2 GLU 51 HB2 GLU 51 6.528 1.343 -12.254 968 HB3 GLU 51 HB3 GLU 51 7.641 0.203 -12.990 969 HG2 GLU 51 HG2 GLU 51 5.782 -1.530 -12.261 970 HG3 GLU 51 HG3 GLU 51 4.763 -0.094 -12.359 971 H GLN 52 H GLN 52 7.995 1.643 -9.080 972 HA GLN 52 HA GLN 52 10.572 2.368 -10.247 973 HB2 GLN 52 HB2 GLN 52 9.215 3.567 -7.833 974 HB3 GLN 52 HB3 GLN 52 10.527 4.265 -8.775 975 HG2 GLN 52 HG2 GLN 52 9.076 4.603 -10.651 976 HG3 GLN 52 HG3 GLN 52 7.769 3.729 -9.852 977 HE21 GLN 52 HE21 GLN 52 7.734 6.414 -10.889 978 HE22 GLN 52 HE22 GLN 52 7.377 7.455 -9.559 979 H TRP 53 H TRP 53 9.241 0.950 -7.287 980 HA TRP 53 HA TRP 53 11.978 0.347 -6.410 981 HB2 TRP 53 HB2 TRP 53 11.161 0.772 -4.043 982 HB3 TRP 53 HB3 TRP 53 11.370 2.196 -5.064 983 HD1 TRP 53 HD1 TRP 53 9.150 3.401 -5.951 984 HE1 TRP 53 HE1 TRP 53 6.743 3.378 -5.103 985 HE3 TRP 53 HE3 TRP 53 9.431 -0.631 -2.831 986 HZ2 TRP 53 HZ2 TRP 53 5.135 1.850 -3.347 987 HZ3 TRP 53 HZ3 TRP 53 7.415 -1.309 -1.596 988 HH2 TRP 53 HH2 TRP 53 5.318 -0.089 -1.846 989 H PHE 54 H PHE 54 8.650 -0.642 -6.545 990 HA PHE 54 HA PHE 54 8.941 -2.802 -4.653 991 HB2 PHE 54 HB2 PHE 54 6.845 -1.602 -4.732 992 HB3 PHE 54 HB3 PHE 54 6.663 -1.932 -6.441 993 HD1 PHE 54 HD2 PHE 54 6.548 -4.533 -7.033 994 HD2 PHE 54 HD1 PHE 54 5.639 -2.859 -3.211 995 HE1 PHE 54 HE2 PHE 54 5.176 -6.499 -6.495 996 HE2 PHE 54 HE1 PHE 54 4.275 -4.827 -2.684 997 HZ PHE 54 HZ PHE 54 4.036 -6.648 -4.321 998 H THR 55 H THR 55 8.701 -2.446 -8.165 999 HA THR 55 HA THR 55 9.674 -5.209 -8.397 1000 HB THR 55 HB THR 55 7.232 -5.160 -8.884 1001 HG1 THR 55 HG1 THR 55 7.560 -6.043 -11.154 1002 HG21 THR 55 HG21 THR 55 8.038 -3.389 -11.191 1003 HG22 THR 55 HG22 THR 55 7.067 -2.905 -9.800 1004 HG23 THR 55 HG23 THR 55 6.441 -4.094 -10.942 1005 H GLU 56 H GLU 56 10.729 -5.634 -10.481 1006 HA GLU 56 HA GLU 56 11.429 -3.443 -12.189 1007 HB2 GLU 56 HB2 GLU 56 13.857 -3.527 -11.782 1008 HB3 GLU 56 HB3 GLU 56 12.978 -2.973 -10.365 1009 HG2 GLU 56 HG2 GLU 56 13.219 -5.131 -9.317 1010 HG3 GLU 56 HG3 GLU 56 13.979 -5.782 -10.768 1011 H ASP 57 H ASP 57 12.816 -4.143 -13.972 1012 HA ASP 57 HA ASP 57 13.141 -7.033 -14.268 1013 HB2 ASP 57 HB2 ASP 57 12.042 -7.141 -16.376 1014 HB3 ASP 57 HB3 ASP 57 10.939 -6.262 -15.324 1015 HA PRO 58 HA PRO 58 17.062 -6.286 -16.154 1016 HB2 PRO 58 HB2 PRO 58 16.039 -7.208 -18.802 1017 HB3 PRO 58 HB3 PRO 58 17.484 -7.711 -17.914 1018 HG2 PRO 58 HG2 PRO 58 15.320 -9.263 -17.974 1019 HG3 PRO 58 HG3 PRO 58 16.291 -9.105 -16.497 1020 HD2 PRO 58 HD2 PRO 58 13.636 -7.924 -17.164 1021 HD3 PRO 58 HD3 PRO 58 14.268 -8.481 -15.602 1022 H GLY 59 H GLY 59 14.316 -5.172 -18.080 1023 HA2 GLY 59 HA2 GLY 59 14.006 -3.006 -18.900 1024 HA3 GLY 59 HA3 GLY 59 15.690 -2.651 -18.546 1025 HA PRO 60 HA PRO 60 14.993 -4.355 -23.038 1026 HB2 PRO 60 HB2 PRO 60 13.350 -2.111 -23.929 1027 HB3 PRO 60 HB3 PRO 60 13.052 -3.843 -24.094 1028 HG2 PRO 60 HG2 PRO 60 11.594 -2.260 -22.455 1029 HG3 PRO 60 HG3 PRO 60 11.906 -3.971 -22.113 1030 HD2 PRO 60 HD2 PRO 60 13.240 -1.538 -20.977 1031 HD3 PRO 60 HD3 PRO 60 12.734 -3.033 -20.158 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 13.884 0.336 -7.642 2 H2 GLY 1 HT2 GLY 1 12.214 0.453 -7.894 3 H3 GLY 1 HT3 GLY 1 13.055 1.746 -7.197 4 HA2 GLY 1 HA3 GLY 1 13.376 0.750 -9.966 5 HA3 GLY 1 HA2 GLY 1 12.547 2.227 -9.492 6 H LYS 2 H LYS 2 14.398 2.676 -11.247 7 HA LYS 2 HA LYS 2 16.864 3.368 -9.786 8 HB2 LYS 2 HB2 LYS 2 16.397 3.159 -12.768 9 HB3 LYS 2 HB3 LYS 2 17.935 3.504 -11.990 10 HG2 LYS 2 HG2 LYS 2 17.929 1.302 -10.957 11 HG3 LYS 2 HG3 LYS 2 16.362 0.953 -11.686 12 HD2 LYS 2 HD2 LYS 2 18.094 -0.093 -12.998 13 HD3 LYS 2 HD3 LYS 2 17.391 1.235 -13.924 14 HE2 LYS 2 HE2 LYS 2 19.268 2.666 -13.313 15 HE3 LYS 2 HE3 LYS 2 19.963 1.363 -12.349 16 HZ1 LYS 2 HZ1 LYS 2 21.037 1.470 -14.480 17 HZ2 LYS 2 HZ2 LYS 2 19.553 1.354 -15.291 18 HZ3 LYS 2 HZ3 LYS 2 20.132 0.037 -14.390 19 H GLY 3 H GLY 3 16.794 5.382 -9.040 20 HA2 GLY 3 HA2 GLY 3 16.413 7.582 -10.853 21 HA3 GLY 3 HA3 GLY 3 15.095 7.418 -9.702 22 H ASP 4 H ASP 4 15.486 7.753 -7.495 23 HA ASP 4 HA ASP 4 18.140 8.772 -6.768 24 HB2 ASP 4 HB2 ASP 4 16.561 10.682 -7.355 25 HB3 ASP 4 HB3 ASP 4 15.596 10.196 -5.967 26 HA PRO 5 HA PRO 5 16.914 6.140 -3.373 27 HB2 PRO 5 HB2 PRO 5 19.401 5.423 -2.655 28 HB3 PRO 5 HB3 PRO 5 18.636 4.819 -4.127 29 HG2 PRO 5 HG2 PRO 5 20.822 6.766 -3.818 30 HG3 PRO 5 HG3 PRO 5 20.389 5.779 -5.221 31 HD2 PRO 5 HD2 PRO 5 19.752 8.548 -4.700 32 HD3 PRO 5 HD3 PRO 5 19.392 7.587 -6.149 33 H LYS 6 H LYS 6 17.716 9.202 -3.105 34 HA LYS 6 HA LYS 6 18.568 9.060 -0.291 35 HB2 LYS 6 HB2 LYS 6 18.629 11.455 -2.125 36 HB3 LYS 6 HB3 LYS 6 19.312 11.359 -0.508 37 HG2 LYS 6 HG2 LYS 6 20.906 9.676 -1.281 38 HG3 LYS 6 HG3 LYS 6 20.227 9.789 -2.906 39 HD2 LYS 6 HD2 LYS 6 21.580 12.003 -1.373 40 HD3 LYS 6 HD3 LYS 6 22.251 11.119 -2.744 41 HE2 LYS 6 HE2 LYS 6 19.867 12.964 -2.743 42 HE3 LYS 6 HE3 LYS 6 21.426 13.245 -3.513 43 HZ1 LYS 6 HZ1 LYS 6 19.437 11.166 -4.260 44 HZ2 LYS 6 HZ2 LYS 6 20.972 11.328 -4.965 45 HZ3 LYS 6 HZ3 LYS 6 19.820 12.556 -5.145 46 H LYS 7 H LYS 7 15.843 8.988 -1.755 47 HA LYS 7 HA LYS 7 14.536 11.100 -0.192 48 HB2 LYS 7 HB2 LYS 7 12.794 11.125 -1.906 49 HB3 LYS 7 HB3 LYS 7 14.377 11.435 -2.598 50 HG2 LYS 7 HG2 LYS 7 14.406 8.924 -3.137 51 HG3 LYS 7 HG3 LYS 7 12.671 9.009 -2.848 52 HD2 LYS 7 HD2 LYS 7 14.178 10.736 -4.801 53 HD3 LYS 7 HD3 LYS 7 13.277 9.284 -5.234 54 HE2 LYS 7 HE2 LYS 7 11.216 10.284 -4.603 55 HE3 LYS 7 HE3 LYS 7 12.038 11.649 -3.843 56 HZ1 LYS 7 HZ1 LYS 7 11.095 12.153 -6.061 57 HZ2 LYS 7 HZ2 LYS 7 12.168 11.029 -6.747 58 HZ3 LYS 7 HZ3 LYS 7 12.768 12.410 -5.965 59 HA PRO 8 HA PRO 8 12.296 7.985 2.019 60 HB2 PRO 8 HB2 PRO 8 10.047 9.410 2.616 61 HB3 PRO 8 HB3 PRO 8 11.584 9.618 3.461 62 HG2 PRO 8 HG2 PRO 8 10.390 11.259 1.264 63 HG3 PRO 8 HG3 PRO 8 11.247 11.792 2.723 64 HD2 PRO 8 HD2 PRO 8 12.433 11.695 0.297 65 HD3 PRO 8 HD3 PRO 8 13.322 11.391 1.802 66 H ARG 9 H ARG 9 10.295 6.721 1.895 67 HA ARG 9 HA ARG 9 9.696 6.353 -0.905 68 HB2 ARG 9 HB2 ARG 9 8.817 4.190 -0.282 69 HB3 ARG 9 HB3 ARG 9 10.389 4.438 0.463 70 HG2 ARG 9 HG2 ARG 9 8.975 5.231 2.509 71 HG3 ARG 9 HG3 ARG 9 7.690 4.312 1.714 72 HD2 ARG 9 HD2 ARG 9 8.520 2.446 2.562 73 HD3 ARG 9 HD3 ARG 9 10.000 2.703 1.641 74 HE ARG 9 HE ARG 9 9.806 4.128 4.178 75 HH11 ARG 9 HH11 ARG 9 10.934 1.257 2.491 76 HH12 ARG 9 HH12 ARG 9 12.130 0.867 3.681 77 HH21 ARG 9 HH21 ARG 9 11.386 3.633 5.736 78 HH22 ARG 9 HH22 ARG 9 12.398 2.230 5.522 79 H GLY 10 H GLY 10 7.965 7.306 1.983 80 HA2 GLY 10 HA2 GLY 10 6.071 8.854 0.940 81 HA3 GLY 10 HA3 GLY 10 5.427 7.266 0.552 82 H LYS 11 H LYS 11 3.682 8.339 1.907 83 HA LYS 11 HA LYS 11 4.149 7.963 4.785 84 HB2 LYS 11 HB2 LYS 11 1.935 9.336 3.254 85 HB3 LYS 11 HB3 LYS 11 1.880 9.065 4.988 86 HG2 LYS 11 HG2 LYS 11 4.008 10.660 3.576 87 HG3 LYS 11 HG3 LYS 11 2.580 11.345 4.358 88 HD2 LYS 11 HD2 LYS 11 3.358 10.131 6.460 89 HD3 LYS 11 HD3 LYS 11 4.891 9.893 5.618 90 HE2 LYS 11 HE2 LYS 11 4.966 11.864 7.051 91 HE3 LYS 11 HE3 LYS 11 5.126 12.305 5.351 92 HZ1 LYS 11 HZ1 LYS 11 2.874 13.035 5.305 93 HZ2 LYS 11 HZ2 LYS 11 3.610 13.757 6.649 94 HZ3 LYS 11 HZ3 LYS 11 2.570 12.434 6.860 95 H MET 12 H MET 12 1.873 7.180 2.207 96 HA MET 12 HA MET 12 0.071 5.758 2.118 97 HB2 MET 12 HB2 MET 12 2.176 3.799 3.046 98 HB3 MET 12 HB3 MET 12 0.780 3.460 2.031 99 HG2 MET 12 HG2 MET 12 1.748 4.974 0.311 100 HG3 MET 12 HG3 MET 12 3.194 5.104 1.310 101 HE1 MET 12 HE1 MET 12 4.453 2.835 2.185 102 HE2 MET 12 HE2 MET 12 4.279 1.267 1.393 103 HE3 MET 12 HE3 MET 12 2.984 1.883 2.420 104 H SER 13 H SER 13 -0.350 3.289 3.502 105 HA SER 13 HA SER 13 -0.837 4.196 6.257 106 HB2 SER 13 HB2 SER 13 -2.551 2.340 4.585 107 HB3 SER 13 HB3 SER 13 -2.848 2.754 6.275 108 HG SER 13 HG SER 13 -2.833 5.029 5.429 109 H SER 14 H SER 14 -1.181 2.254 7.758 110 HA SER 14 HA SER 14 1.182 0.822 7.979 111 HB2 SER 14 HB2 SER 14 -1.415 -0.125 9.164 112 HB3 SER 14 HB3 SER 14 0.201 -0.158 9.876 113 HG SER 14 HG SER 14 -1.345 1.547 10.612 114 H TYR 15 H TYR 15 -1.815 -0.014 6.385 115 HA TYR 15 HA TYR 15 -1.481 -2.779 6.098 116 HB2 TYR 15 HB2 TYR 15 -3.462 -1.109 5.525 117 HB3 TYR 15 HB3 TYR 15 -2.735 -1.148 3.926 118 HD1 TYR 15 HD1 TYR 15 -1.857 -4.196 4.429 119 HD2 TYR 15 HD2 TYR 15 -5.516 -2.032 4.592 120 HE1 TYR 15 HE1 TYR 15 -3.093 -6.261 3.927 121 HE2 TYR 15 HE2 TYR 15 -6.761 -4.085 4.089 122 HH TYR 15 HH TYR 15 -6.427 -6.228 3.075 123 H ALA 16 H ALA 16 -0.633 -0.108 3.909 124 HA ALA 16 HA ALA 16 0.682 -1.721 1.996 125 HB1 ALA 16 HB1 ALA 16 1.538 0.357 1.077 126 HB2 ALA 16 HB2 ALA 16 1.049 1.223 2.535 127 HB3 ALA 16 HB3 ALA 16 -0.173 0.516 1.477 128 H PHE 17 H PHE 17 1.740 -0.161 4.949 129 HA PHE 17 HA PHE 17 4.518 -0.423 4.568 130 HB2 PHE 17 HB2 PHE 17 2.724 0.106 6.837 131 HB3 PHE 17 HB3 PHE 17 4.250 -0.662 7.271 132 HD1 PHE 17 HD2 PHE 17 2.786 2.252 5.520 133 HD2 PHE 17 HD1 PHE 17 6.227 0.551 7.351 134 HE1 PHE 17 HE2 PHE 17 3.929 4.424 5.375 135 HE2 PHE 17 HE1 PHE 17 7.380 2.720 7.213 136 HZ PHE 17 HZ PHE 17 6.229 4.660 6.220 137 H PHE 18 H PHE 18 2.087 -2.655 5.765 138 HA PHE 18 HA PHE 18 3.724 -4.709 6.697 139 HB2 PHE 18 HB2 PHE 18 1.308 -4.728 7.007 140 HB3 PHE 18 HB3 PHE 18 1.060 -4.870 5.272 141 HD1 PHE 18 HD1 PHE 18 2.709 -6.644 8.106 142 HD2 PHE 18 HD2 PHE 18 0.720 -6.942 4.357 143 HE1 PHE 18 HE1 PHE 18 2.697 -9.097 8.311 144 HE2 PHE 18 HE2 PHE 18 0.703 -9.391 4.554 145 HZ PHE 18 HZ PHE 18 1.689 -10.470 6.530 146 H VAL 19 H VAL 19 2.350 -4.298 3.434 147 HA VAL 19 HA VAL 19 3.884 -6.371 2.249 148 HB VAL 19 HB VAL 19 2.401 -4.011 1.112 149 HG11 VAL 19 HG11 VAL 19 3.914 -6.098 -0.459 150 HG12 VAL 19 HG12 VAL 19 4.289 -4.377 -0.380 151 HG13 VAL 19 HG13 VAL 19 2.790 -4.918 -1.136 152 HG21 VAL 19 HG21 VAL 19 0.964 -5.787 0.201 153 HG22 VAL 19 HG22 VAL 19 1.065 -5.837 1.961 154 HG23 VAL 19 HG23 VAL 19 1.979 -6.992 0.994 155 H GLN 20 H GLN 20 4.388 -2.932 2.669 156 HA GLN 20 HA GLN 20 6.523 -2.398 1.036 157 HB2 GLN 20 HB2 GLN 20 5.353 -0.726 2.392 158 HB3 GLN 20 HB3 GLN 20 6.075 -1.397 3.847 159 HG2 GLN 20 HG2 GLN 20 8.317 -0.881 2.627 160 HG3 GLN 20 HG3 GLN 20 7.318 0.238 1.694 161 HE21 GLN 20 HE21 GLN 20 6.291 1.953 2.774 162 HE22 GLN 20 HE22 GLN 20 6.841 2.505 4.317 163 H THR 21 H THR 21 6.827 -3.309 4.480 164 HA THR 21 HA THR 21 9.646 -3.455 4.326 165 HB THR 21 HB THR 21 8.574 -2.986 6.444 166 HG1 THR 21 HG1 THR 21 9.953 -5.488 6.480 167 HG21 THR 21 HG21 THR 21 7.351 -4.678 7.697 168 HG22 THR 21 HG22 THR 21 7.527 -5.816 6.362 169 HG23 THR 21 HG23 THR 21 6.556 -4.359 6.153 170 H CYS 22 H CYS 22 7.134 -5.899 3.965 171 HA CYS 22 HA CYS 22 8.903 -8.121 4.180 172 HB2 CYS 22 HB2 CYS 22 6.145 -7.931 2.951 173 HB3 CYS 22 HB3 CYS 22 6.994 -9.431 3.314 174 HG CYS 22 HG CYS 22 5.294 -7.382 5.339 175 H ARG 23 H ARG 23 7.503 -6.354 1.439 176 HA ARG 23 HA ARG 23 8.761 -7.978 -0.535 177 HB2 ARG 23 HB2 ARG 23 7.150 -6.941 -1.702 178 HB3 ARG 23 HB3 ARG 23 6.967 -5.699 -0.476 179 HG2 ARG 23 HG2 ARG 23 9.279 -5.502 -2.331 180 HG3 ARG 23 HG3 ARG 23 7.673 -5.129 -2.954 181 HD2 ARG 23 HD2 ARG 23 7.368 -3.369 -1.417 182 HD3 ARG 23 HD3 ARG 23 8.720 -3.906 -0.417 183 HE ARG 23 HE ARG 23 9.364 -3.065 -3.124 184 HH11 ARG 23 HH11 ARG 23 9.145 -2.202 0.246 185 HH12 ARG 23 HH12 ARG 23 10.343 -0.947 0.149 186 HH21 ARG 23 HH21 ARG 23 10.931 -1.383 -3.283 187 HH22 ARG 23 HH22 ARG 23 11.347 -0.472 -1.860 188 H GLU 24 H GLU 24 9.698 -5.200 1.307 189 HA GLU 24 HA GLU 24 11.878 -4.450 -0.390 190 HB2 GLU 24 HB2 GLU 24 10.699 -2.844 1.043 191 HB3 GLU 24 HB3 GLU 24 11.271 -3.688 2.468 192 HG2 GLU 24 HG2 GLU 24 13.501 -3.022 2.078 193 HG3 GLU 24 HG3 GLU 24 13.130 -2.488 0.439 194 H GLU 25 H GLU 25 11.566 -6.192 2.693 195 HA GLU 25 HA GLU 25 14.294 -6.665 3.122 196 HB2 GLU 25 HB2 GLU 25 12.691 -7.095 4.881 197 HB3 GLU 25 HB3 GLU 25 11.883 -8.311 3.900 198 HG2 GLU 25 HG2 GLU 25 13.794 -9.748 4.014 199 HG3 GLU 25 HG3 GLU 25 14.706 -8.530 4.902 200 H HIS 26 H HIS 26 11.894 -8.453 1.255 201 HA HIS 26 HA HIS 26 13.435 -10.734 0.731 202 HB2 HIS 26 HB2 HIS 26 10.965 -10.516 0.352 203 HB3 HIS 26 HB3 HIS 26 11.318 -9.556 -1.082 204 HD1 HIS 26 HD1 HIS 26 10.999 -10.963 -3.093 205 HD2 HIS 26 HD2 HIS 26 12.665 -13.114 0.042 206 HE1 HIS 26 HE1 HIS 26 11.332 -13.287 -3.978 207 HE2 HIS 26 HE2 HIS 26 12.526 -14.518 -2.131 208 H LYS 27 H LYS 27 13.218 -7.638 -0.960 209 HA LYS 27 HA LYS 27 15.014 -8.537 -3.048 210 HB2 LYS 27 HB2 LYS 27 13.389 -6.110 -2.543 211 HB3 LYS 27 HB3 LYS 27 14.862 -5.887 -3.478 212 HG2 LYS 27 HG2 LYS 27 14.134 -7.480 -5.118 213 HG3 LYS 27 HG3 LYS 27 12.724 -7.898 -4.144 214 HD2 LYS 27 HD2 LYS 27 11.691 -5.839 -4.548 215 HD3 LYS 27 HD3 LYS 27 13.195 -5.087 -5.081 216 HE2 LYS 27 HE2 LYS 27 11.866 -7.344 -6.562 217 HE3 LYS 27 HE3 LYS 27 11.528 -5.647 -6.897 218 HZ1 LYS 27 HZ1 LYS 27 14.222 -6.887 -7.046 219 HZ2 LYS 27 HZ2 LYS 27 13.817 -5.302 -7.478 220 HZ3 LYS 27 HZ3 LYS 27 13.220 -6.609 -8.385 221 H LYS 28 H LYS 28 15.161 -6.692 -0.095 222 HA LYS 28 HA LYS 28 17.659 -5.476 -0.394 223 HB2 LYS 28 HB2 LYS 28 16.010 -5.039 1.410 224 HB3 LYS 28 HB3 LYS 28 16.400 -6.598 2.117 225 HG2 LYS 28 HG2 LYS 28 18.742 -5.800 2.414 226 HG3 LYS 28 HG3 LYS 28 18.209 -4.208 1.868 227 HD2 LYS 28 HD2 LYS 28 17.173 -5.713 4.270 228 HD3 LYS 28 HD3 LYS 28 18.242 -4.310 4.300 229 HE2 LYS 28 HE2 LYS 28 15.446 -4.318 3.160 230 HE3 LYS 28 HE3 LYS 28 15.865 -3.768 4.782 231 HZ1 LYS 28 HZ1 LYS 28 17.254 -2.052 3.830 232 HZ2 LYS 28 HZ2 LYS 28 15.688 -1.931 3.194 233 HZ3 LYS 28 HZ3 LYS 28 16.927 -2.604 2.259 234 H LYS 29 H LYS 29 16.745 -8.677 0.770 235 HA LYS 29 HA LYS 29 19.559 -9.399 1.127 236 HB2 LYS 29 HB2 LYS 29 17.013 -10.799 1.942 237 HB3 LYS 29 HB3 LYS 29 18.638 -11.373 2.304 238 HG2 LYS 29 HG2 LYS 29 19.084 -9.487 3.682 239 HG3 LYS 29 HG3 LYS 29 17.595 -8.692 3.176 240 HD2 LYS 29 HD2 LYS 29 16.289 -10.455 4.263 241 HD3 LYS 29 HD3 LYS 29 17.786 -11.249 4.765 242 HE2 LYS 29 HE2 LYS 29 18.401 -9.297 6.075 243 HE3 LYS 29 HE3 LYS 29 16.947 -8.458 5.537 244 HZ1 LYS 29 HZ1 LYS 29 16.872 -9.521 7.804 245 HZ2 LYS 29 HZ2 LYS 29 16.831 -11.022 7.011 246 HZ3 LYS 29 HZ3 LYS 29 15.587 -9.894 6.763 247 H HIS 30 H HIS 30 17.313 -9.522 -1.258 248 HA HIS 30 HA HIS 30 18.854 -11.477 -2.746 249 HB2 HIS 30 HB2 HIS 30 15.856 -11.755 -2.409 250 HB3 HIS 30 HB3 HIS 30 16.798 -12.604 -3.622 251 HD1 HIS 30 HD1 HIS 30 18.492 -14.447 -2.691 252 HD2 HIS 30 HD2 HIS 30 15.744 -12.941 0.046 253 HE1 HIS 30 HE1 HIS 30 18.451 -16.092 -0.791 254 HE2 HIS 30 HE2 HIS 30 16.637 -15.265 0.749 255 HA PRO 31 HA PRO 31 17.792 -7.512 -4.751 256 HB2 PRO 31 HB2 PRO 31 19.975 -7.428 -6.384 257 HB3 PRO 31 HB3 PRO 31 19.979 -6.898 -4.697 258 HG2 PRO 31 HG2 PRO 31 20.897 -9.494 -5.865 259 HG3 PRO 31 HG3 PRO 31 21.665 -8.490 -4.625 260 HD2 PRO 31 HD2 PRO 31 20.245 -10.691 -3.999 261 HD3 PRO 31 HD3 PRO 31 20.268 -9.255 -2.952 262 H ASP 32 H ASP 32 18.384 -10.609 -6.237 263 HA ASP 32 HA ASP 32 17.269 -9.661 -8.781 264 HB2 ASP 32 HB2 ASP 32 18.455 -12.359 -8.086 265 HB3 ASP 32 HB3 ASP 32 17.916 -11.854 -9.684 266 H ALA 33 H ALA 33 16.135 -10.831 -5.927 267 HA ALA 33 HA ALA 33 14.253 -12.750 -6.984 268 HB1 ALA 33 HB1 ALA 33 13.460 -12.963 -4.700 269 HB2 ALA 33 HB2 ALA 33 14.458 -11.594 -4.211 270 HB3 ALA 33 HB3 ALA 33 15.218 -13.086 -4.768 271 H SER 34 H SER 34 12.969 -11.677 -8.380 272 HA SER 34 HA SER 34 11.629 -9.240 -7.732 273 HB2 SER 34 HB2 SER 34 10.911 -11.193 -9.922 274 HB3 SER 34 HB3 SER 34 10.625 -9.451 -9.886 275 HG SER 34 HG SER 34 12.860 -9.124 -10.000 276 H VAL 35 H VAL 35 9.966 -9.151 -6.322 277 HA VAL 35 HA VAL 35 8.296 -11.454 -5.861 278 HB VAL 35 HB VAL 35 7.109 -10.190 -4.248 279 HG11 VAL 35 HG11 VAL 35 8.847 -9.202 -2.831 280 HG12 VAL 35 HG12 VAL 35 9.962 -9.232 -4.195 281 HG13 VAL 35 HG13 VAL 35 9.354 -10.744 -3.523 282 HG21 VAL 35 HG21 VAL 35 7.304 -7.750 -4.005 283 HG22 VAL 35 HG22 VAL 35 6.609 -8.224 -5.557 284 HG23 VAL 35 HG23 VAL 35 8.292 -7.704 -5.465 285 H ASN 36 H ASN 36 6.202 -11.730 -6.593 286 HA ASN 36 HA ASN 36 5.491 -10.082 -8.898 287 HB2 ASN 36 HB2 ASN 36 4.388 -12.738 -7.944 288 HB3 ASN 36 HB3 ASN 36 3.836 -11.882 -9.380 289 HD21 ASN 36 HD21 ASN 36 6.384 -13.773 -7.968 290 HD22 ASN 36 HD22 ASN 36 7.277 -14.039 -9.426 291 H PHE 37 H PHE 37 3.855 -8.672 -8.848 292 HA PHE 37 HA PHE 37 2.663 -7.747 -6.549 293 HB2 PHE 37 HB2 PHE 37 1.775 -7.671 -9.418 294 HB3 PHE 37 HB3 PHE 37 0.747 -7.003 -8.157 295 HD1 PHE 37 HD2 PHE 37 1.557 -5.110 -6.784 296 HD2 PHE 37 HD1 PHE 37 3.692 -6.517 -10.184 297 HE1 PHE 37 HE2 PHE 37 2.814 -2.997 -6.862 298 HE2 PHE 37 HE1 PHE 37 4.950 -4.406 -10.271 299 HZ PHE 37 HZ PHE 37 4.513 -2.641 -8.607 300 H SER 38 H SER 38 1.206 -10.045 -8.852 301 HA SER 38 HA SER 38 -1.194 -10.466 -7.521 302 HB2 SER 38 HB2 SER 38 -1.144 -12.692 -8.803 303 HB3 SER 38 HB3 SER 38 -1.023 -11.210 -9.756 304 HG SER 38 HG SER 38 0.630 -13.208 -9.818 305 H GLU 39 H GLU 39 1.801 -12.354 -7.329 306 HA GLU 39 HA GLU 39 0.891 -14.313 -5.540 307 HB2 GLU 39 HB2 GLU 39 3.681 -13.229 -5.960 308 HB3 GLU 39 HB3 GLU 39 3.298 -14.701 -5.079 309 HG2 GLU 39 HG2 GLU 39 2.667 -14.227 -7.978 310 HG3 GLU 39 HG3 GLU 39 4.086 -15.088 -7.380 311 H PHE 40 H PHE 40 2.631 -11.294 -4.988 312 HA PHE 40 HA PHE 40 3.046 -11.790 -2.226 313 HB2 PHE 40 HB2 PHE 40 4.356 -10.280 -3.901 314 HB3 PHE 40 HB3 PHE 40 3.176 -9.053 -3.446 315 HD1 PHE 40 HD2 PHE 40 5.864 -11.235 -2.221 316 HD2 PHE 40 HD1 PHE 40 3.284 -7.971 -1.333 317 HE1 PHE 40 HE2 PHE 40 7.202 -10.725 -0.221 318 HE2 PHE 40 HE1 PHE 40 4.615 -7.463 0.669 319 HZ PHE 40 HZ PHE 40 6.575 -8.835 1.220 320 H SER 41 H SER 41 0.783 -9.697 -4.004 321 HA SER 41 HA SER 41 -0.231 -8.357 -1.763 322 HB2 SER 41 HB2 SER 41 -2.150 -7.781 -3.264 323 HB3 SER 41 HB3 SER 41 -0.568 -7.452 -3.971 324 HG SER 41 HG SER 41 -0.859 -8.995 -5.405 325 H LYS 42 H LYS 42 -1.448 -11.221 -3.471 326 HA LYS 42 HA LYS 42 -3.847 -11.428 -2.056 327 HB2 LYS 42 HB2 LYS 42 -3.522 -12.594 -4.147 328 HB3 LYS 42 HB3 LYS 42 -2.245 -13.578 -3.441 329 HG2 LYS 42 HG2 LYS 42 -3.815 -14.660 -1.975 330 HG3 LYS 42 HG3 LYS 42 -5.110 -13.587 -2.516 331 HD2 LYS 42 HD2 LYS 42 -5.137 -14.557 -4.671 332 HD3 LYS 42 HD3 LYS 42 -3.609 -15.393 -4.398 333 HE2 LYS 42 HE2 LYS 42 -5.544 -16.907 -4.288 334 HE3 LYS 42 HE3 LYS 42 -4.649 -16.843 -2.772 335 HZ1 LYS 42 HZ1 LYS 42 -7.091 -16.786 -2.510 336 HZ2 LYS 42 HZ2 LYS 42 -7.127 -15.292 -3.307 337 HZ3 LYS 42 HZ3 LYS 42 -6.314 -15.445 -1.822 338 H LYS 43 H LYS 43 -0.765 -13.192 -1.480 339 HA LYS 43 HA LYS 43 -1.896 -14.619 0.704 340 HB2 LYS 43 HB2 LYS 43 0.377 -15.389 1.180 341 HB3 LYS 43 HB3 LYS 43 -0.033 -15.563 -0.518 342 HG2 LYS 43 HG2 LYS 43 1.284 -13.582 -1.045 343 HG3 LYS 43 HG3 LYS 43 1.681 -13.388 0.666 344 HD2 LYS 43 HD2 LYS 43 2.793 -15.552 0.669 345 HD3 LYS 43 HD3 LYS 43 2.351 -15.802 -1.019 346 HE2 LYS 43 HE2 LYS 43 3.700 -13.834 -1.633 347 HE3 LYS 43 HE3 LYS 43 4.172 -13.648 0.056 348 HZ1 LYS 43 HZ1 LYS 43 4.739 -16.036 -1.625 349 HZ2 LYS 43 HZ2 LYS 43 5.236 -15.810 -0.020 350 HZ3 LYS 43 HZ3 LYS 43 5.863 -14.822 -1.247 351 H CYS 44 H CYS 44 -0.237 -11.565 0.458 352 HA CYS 44 HA CYS 44 0.272 -11.356 3.273 353 HB2 CYS 44 HB2 CYS 44 0.319 -9.263 1.097 354 HB3 CYS 44 HB3 CYS 44 0.854 -9.000 2.754 355 HG CYS 44 HG CYS 44 2.392 -10.564 0.224 356 H SER 45 H SER 45 -2.232 -10.141 1.073 357 HA SER 45 HA SER 45 -3.464 -8.408 2.922 358 HB2 SER 45 HB2 SER 45 -5.469 -8.616 1.387 359 HB3 SER 45 HB3 SER 45 -3.966 -8.113 0.615 360 HG SER 45 HG SER 45 -3.777 -10.048 -0.340 361 H GLU 46 H GLU 46 -4.324 -11.723 1.951 362 HA GLU 46 HA GLU 46 -6.456 -12.037 3.736 363 HB2 GLU 46 HB2 GLU 46 -4.586 -14.125 2.610 364 HB3 GLU 46 HB3 GLU 46 -6.108 -14.471 3.423 365 HG2 GLU 46 HG2 GLU 46 -7.277 -13.154 1.682 366 HG3 GLU 46 HG3 GLU 46 -5.738 -12.968 0.844 367 H ARG 47 H ARG 47 -2.998 -12.446 4.173 368 HA ARG 47 HA ARG 47 -3.130 -13.657 6.727 369 HB2 ARG 47 HB2 ARG 47 -1.112 -13.645 5.262 370 HB3 ARG 47 HB3 ARG 47 -0.915 -11.931 5.603 371 HG2 ARG 47 HG2 ARG 47 -0.466 -12.366 7.903 372 HG3 ARG 47 HG3 ARG 47 -0.912 -14.066 7.725 373 HD2 ARG 47 HD2 ARG 47 1.451 -12.669 6.468 374 HD3 ARG 47 HD3 ARG 47 1.493 -13.867 7.763 375 HE ARG 47 HE ARG 47 0.177 -14.940 5.505 376 HH11 ARG 47 HH11 ARG 47 3.393 -14.128 6.658 377 HH12 ARG 47 HH12 ARG 47 4.182 -15.269 5.602 378 HH21 ARG 47 HH21 ARG 47 1.191 -16.411 4.147 379 HH22 ARG 47 HH22 ARG 47 2.926 -16.575 4.165 380 H TRP 48 H TRP 48 -2.703 -10.265 5.706 381 HA TRP 48 HA TRP 48 -2.566 -9.112 8.251 382 HB2 TRP 48 HB2 TRP 48 -2.038 -7.869 6.211 383 HB3 TRP 48 HB3 TRP 48 -3.717 -7.965 5.695 384 HD1 TRP 48 HD1 TRP 48 -5.481 -6.357 6.953 385 HE1 TRP 48 HE1 TRP 48 -5.152 -4.177 8.287 386 HE3 TRP 48 HE3 TRP 48 -0.451 -6.690 7.816 387 HZ2 TRP 48 HZ2 TRP 48 -3.042 -2.794 9.536 388 HZ3 TRP 48 HZ3 TRP 48 0.643 -4.892 9.091 389 HH2 TRP 48 HH2 TRP 48 -0.628 -2.986 9.929 390 H LYS 49 H LYS 49 -5.356 -9.880 6.227 391 HA LYS 49 HA LYS 49 -7.347 -8.742 7.825 392 HB2 LYS 49 HB2 LYS 49 -7.507 -11.213 6.089 393 HB3 LYS 49 HB3 LYS 49 -8.887 -10.319 6.710 394 HG2 LYS 49 HG2 LYS 49 -8.280 -8.384 5.404 395 HG3 LYS 49 HG3 LYS 49 -6.796 -9.173 4.871 396 HD2 LYS 49 HD2 LYS 49 -8.112 -10.891 3.738 397 HD3 LYS 49 HD3 LYS 49 -9.600 -10.112 4.277 398 HE2 LYS 49 HE2 LYS 49 -7.516 -8.787 2.549 399 HE3 LYS 49 HE3 LYS 49 -8.958 -9.585 1.924 400 HZ1 LYS 49 HZ1 LYS 49 -9.290 -7.207 2.109 401 HZ2 LYS 49 HZ2 LYS 49 -8.930 -7.247 3.767 402 HZ3 LYS 49 HZ3 LYS 49 -10.318 -8.026 3.180 403 H THR 50 H THR 50 -5.642 -11.790 8.115 404 HA THR 50 HA THR 50 -7.388 -12.668 10.273 405 HB THR 50 HB THR 50 -6.054 -14.733 10.243 406 HG1 THR 50 HG1 THR 50 -4.299 -13.195 8.919 407 HG21 THR 50 HG21 THR 50 -7.021 -13.838 7.525 408 HG22 THR 50 HG22 THR 50 -8.014 -14.542 8.803 409 HG23 THR 50 HG23 THR 50 -6.763 -15.510 8.023 410 H MET 51 H MET 51 -4.831 -10.632 10.070 411 HA MET 51 HA MET 51 -3.341 -11.532 12.380 412 HB2 MET 51 HB2 MET 51 -3.200 -9.057 10.664 413 HB3 MET 51 HB3 MET 51 -2.236 -9.237 12.123 414 HG2 MET 51 HG2 MET 51 -1.056 -11.079 11.231 415 HG3 MET 51 HG3 MET 51 -2.170 -11.219 9.873 416 HE1 MET 51 HE1 MET 51 0.685 -9.058 11.512 417 HE2 MET 51 HE2 MET 51 -0.639 -7.903 11.369 418 HE3 MET 51 HE3 MET 51 0.805 -7.716 10.373 419 H SER 52 H SER 52 -3.254 -10.508 14.382 420 HA SER 52 HA SER 52 -5.782 -9.310 15.157 421 HB2 SER 52 HB2 SER 52 -3.431 -10.175 16.859 422 HB3 SER 52 HB3 SER 52 -5.038 -9.743 17.444 423 HG SER 52 HG SER 52 -4.298 -11.967 15.834 424 H ALA 53 H ALA 53 -5.460 -7.604 17.050 425 HA ALA 53 HA ALA 53 -4.672 -5.260 15.729 426 HB1 ALA 53 HB1 ALA 53 -6.410 -5.333 17.453 427 HB2 ALA 53 HB2 ALA 53 -5.185 -4.116 17.810 428 HB3 ALA 53 HB3 ALA 53 -5.178 -5.653 18.675 429 H LYS 54 H LYS 54 -3.049 -7.194 18.204 430 HA LYS 54 HA LYS 54 -0.982 -5.442 18.837 431 HB2 LYS 54 HB2 LYS 54 -1.325 -7.376 20.189 432 HB3 LYS 54 HB3 LYS 54 -1.083 -8.452 18.820 433 HG2 LYS 54 HG2 LYS 54 1.252 -7.924 18.737 434 HG3 LYS 54 HG3 LYS 54 1.055 -6.670 19.960 435 HD2 LYS 54 HD2 LYS 54 2.026 -8.745 20.872 436 HD3 LYS 54 HD3 LYS 54 0.490 -8.325 21.629 437 HE2 LYS 54 HE2 LYS 54 0.710 -10.735 21.136 438 HE3 LYS 54 HE3 LYS 54 -0.661 -9.985 20.321 439 HZ1 LYS 54 HZ1 LYS 54 0.423 -10.067 18.272 440 HZ2 LYS 54 HZ2 LYS 54 0.793 -11.564 18.981 441 HZ3 LYS 54 HZ3 LYS 54 1.947 -10.327 18.969 442 H GLU 55 H GLU 55 -1.042 -7.961 16.319 443 HA GLU 55 HA GLU 55 1.597 -7.452 15.419 444 HB2 GLU 55 HB2 GLU 55 -0.708 -8.739 13.945 445 HB3 GLU 55 HB3 GLU 55 0.970 -8.777 13.429 446 HG2 GLU 55 HG2 GLU 55 0.769 -10.816 14.429 447 HG3 GLU 55 HG3 GLU 55 1.375 -9.844 15.770 448 H LYS 56 H LYS 56 -1.536 -6.148 14.544 449 HA LYS 56 HA LYS 56 -0.613 -4.775 12.219 450 HB2 LYS 56 HB2 LYS 56 -3.096 -4.453 13.910 451 HB3 LYS 56 HB3 LYS 56 -2.795 -3.519 12.447 452 HG2 LYS 56 HG2 LYS 56 -2.787 -5.490 11.105 453 HG3 LYS 56 HG3 LYS 56 -2.848 -6.521 12.531 454 HD2 LYS 56 HD2 LYS 56 -5.078 -5.714 13.053 455 HD3 LYS 56 HD3 LYS 56 -5.014 -4.606 11.677 456 HE2 LYS 56 HE2 LYS 56 -4.950 -6.407 10.125 457 HE3 LYS 56 HE3 LYS 56 -4.694 -7.584 11.411 458 HZ1 LYS 56 HZ1 LYS 56 -7.170 -6.011 10.921 459 HZ2 LYS 56 HZ2 LYS 56 -6.923 -7.051 12.238 460 HZ3 LYS 56 HZ3 LYS 56 -6.951 -7.673 10.669 461 H GLY 57 H GLY 57 -0.990 -3.920 15.616 462 HA2 GLY 57 HA2 GLY 57 -0.277 -1.194 15.400 463 HA3 GLY 57 HA3 GLY 57 -0.082 -2.194 16.834 464 H LYS 58 H LYS 58 1.622 -4.128 15.604 465 HA LYS 58 HA LYS 58 4.167 -3.108 16.012 466 HB2 LYS 58 HB2 LYS 58 4.008 -5.424 16.089 467 HB3 LYS 58 HB3 LYS 58 3.060 -5.509 14.615 468 HG2 LYS 58 HG2 LYS 58 5.251 -6.479 14.295 469 HG3 LYS 58 HG3 LYS 58 5.058 -5.043 13.293 470 HD2 LYS 58 HD2 LYS 58 6.381 -3.744 14.828 471 HD3 LYS 58 HD3 LYS 58 6.476 -5.101 15.952 472 HE2 LYS 58 HE2 LYS 58 7.521 -5.199 13.130 473 HE3 LYS 58 HE3 LYS 58 8.514 -4.748 14.521 474 HZ1 LYS 58 HZ1 LYS 58 7.766 -6.964 15.491 475 HZ2 LYS 58 HZ2 LYS 58 8.890 -7.011 14.226 476 HZ3 LYS 58 HZ3 LYS 58 7.263 -7.359 13.918 477 H PHE 59 H PHE 59 2.498 -3.628 12.909 478 HA PHE 59 HA PHE 59 4.701 -2.498 11.451 479 HB2 PHE 59 HB2 PHE 59 1.969 -3.459 10.603 480 HB3 PHE 59 HB3 PHE 59 3.129 -2.757 9.474 481 HD1 PHE 59 HD1 PHE 59 2.654 -5.519 11.897 482 HD2 PHE 59 HD2 PHE 59 4.873 -4.037 8.587 483 HE1 PHE 59 HE1 PHE 59 3.796 -7.690 11.695 484 HE2 PHE 59 HE2 PHE 59 6.009 -6.204 8.370 485 HZ PHE 59 HZ PHE 59 5.474 -8.036 9.927 486 H GLU 60 H GLU 60 1.720 -1.314 12.773 487 HA GLU 60 HA GLU 60 1.674 1.107 11.262 488 HB2 GLU 60 HB2 GLU 60 -0.332 0.182 12.367 489 HB3 GLU 60 HB3 GLU 60 0.405 0.484 13.935 490 HG2 GLU 60 HG2 GLU 60 0.190 2.785 13.737 491 HG3 GLU 60 HG3 GLU 60 0.001 2.714 11.984 492 H ASP 61 H ASP 61 3.111 0.094 14.298 493 HA ASP 61 HA ASP 61 3.967 2.650 15.168 494 HB2 ASP 61 HB2 ASP 61 3.923 0.840 16.747 495 HB3 ASP 61 HB3 ASP 61 4.979 -0.146 15.746 496 H MET 62 H MET 62 5.397 0.231 13.043 497 HA MET 62 HA MET 62 7.838 1.696 12.693 498 HB2 MET 62 HB2 MET 62 6.623 -0.475 10.966 499 HB3 MET 62 HB3 MET 62 8.258 0.162 10.803 500 HG2 MET 62 HG2 MET 62 8.706 -0.608 13.134 501 HG3 MET 62 HG3 MET 62 7.127 -1.390 13.120 502 HE1 MET 62 HE1 MET 62 7.144 -2.230 9.932 503 HE2 MET 62 HE2 MET 62 6.470 -3.229 11.221 504 HE3 MET 62 HE3 MET 62 7.642 -3.915 10.097 505 H ALA 63 H ALA 63 4.723 1.542 11.115 506 HA ALA 63 HA ALA 63 5.284 3.045 8.816 507 HB1 ALA 63 HB1 ALA 63 2.881 3.472 8.721 508 HB2 ALA 63 HB2 ALA 63 2.709 2.928 10.390 509 HB3 ALA 63 HB3 ALA 63 3.200 1.788 9.140 510 H LYS 64 H LYS 64 4.151 4.068 12.030 511 HA LYS 64 HA LYS 64 4.058 6.819 11.340 512 HB2 LYS 64 HB2 LYS 64 3.637 7.239 13.662 513 HB3 LYS 64 HB3 LYS 64 2.757 5.800 13.187 514 HG2 LYS 64 HG2 LYS 64 4.478 4.413 14.246 515 HG3 LYS 64 HG3 LYS 64 5.307 5.884 14.771 516 HD2 LYS 64 HD2 LYS 64 3.401 6.553 16.084 517 HD3 LYS 64 HD3 LYS 64 2.447 5.208 15.460 518 HE2 LYS 64 HE2 LYS 64 3.188 4.666 17.672 519 HE3 LYS 64 HE3 LYS 64 4.057 3.651 16.524 520 HZ1 LYS 64 HZ1 LYS 64 5.888 5.346 16.674 521 HZ2 LYS 64 HZ2 LYS 64 5.635 4.408 18.054 522 HZ3 LYS 64 HZ3 LYS 64 5.071 6.008 18.003 523 H ALA 65 H ALA 65 6.551 4.726 12.451 524 HA ALA 65 HA ALA 65 8.418 6.708 13.255 525 HB1 ALA 65 HB1 ALA 65 8.955 3.929 12.213 526 HB2 ALA 65 HB2 ALA 65 8.641 4.351 13.897 527 HB3 ALA 65 HB3 ALA 65 10.091 4.950 13.092 528 H ASP 66 H ASP 66 8.008 4.902 10.199 529 HA ASP 66 HA ASP 66 10.067 6.341 8.831 530 HB2 ASP 66 HB2 ASP 66 9.089 4.008 8.283 531 HB3 ASP 66 HB3 ASP 66 7.812 4.890 7.457 532 H LYS 67 H LYS 67 6.707 6.825 9.410 533 HA LYS 67 HA LYS 67 5.996 8.747 7.555 534 HB2 LYS 67 HB2 LYS 67 4.502 7.739 9.281 535 HB3 LYS 67 HB3 LYS 67 5.302 8.706 10.505 536 HG2 LYS 67 HG2 LYS 67 3.928 9.987 8.170 537 HG3 LYS 67 HG3 LYS 67 3.031 9.487 9.601 538 HD2 LYS 67 HD2 LYS 67 5.337 11.434 9.531 539 HD3 LYS 67 HD3 LYS 67 3.635 11.849 9.718 540 HE2 LYS 67 HE2 LYS 67 3.586 10.564 11.827 541 HE3 LYS 67 HE3 LYS 67 5.307 10.232 11.644 542 HZ1 LYS 67 HZ1 LYS 67 5.576 12.741 11.563 543 HZ2 LYS 67 HZ2 LYS 67 5.196 12.056 13.068 544 HZ3 LYS 67 HZ3 LYS 67 3.992 12.827 12.162 545 H ALA 68 H ALA 68 7.624 9.210 10.690 546 HA ALA 68 HA ALA 68 8.002 12.022 10.321 547 HB1 ALA 68 HB1 ALA 68 9.439 11.866 12.304 548 HB2 ALA 68 HB2 ALA 68 9.350 10.107 12.223 549 HB3 ALA 68 HB3 ALA 68 7.895 11.049 12.546 550 H ARG 69 H ARG 69 9.785 9.162 9.486 551 HA ARG 69 HA ARG 69 12.290 10.337 8.952 552 HB2 ARG 69 HB2 ARG 69 11.893 7.885 9.090 553 HB3 ARG 69 HB3 ARG 69 10.988 7.968 7.586 554 HG2 ARG 69 HG2 ARG 69 13.222 7.142 7.181 555 HG3 ARG 69 HG3 ARG 69 13.013 8.721 6.424 556 HD2 ARG 69 HD2 ARG 69 15.190 8.488 7.565 557 HD3 ARG 69 HD3 ARG 69 14.206 9.793 8.227 558 HE ARG 69 HE ARG 69 13.775 7.399 9.675 559 HH11 ARG 69 HH11 ARG 69 16.190 9.886 9.189 560 HH12 ARG 69 HH12 ARG 69 16.827 9.759 10.803 561 HH21 ARG 69 HH21 ARG 69 14.583 7.248 11.805 562 HH22 ARG 69 HH22 ARG 69 15.913 8.255 12.298 563 H TYR 70 H TYR 70 9.423 9.751 6.956 564 HA TYR 70 HA TYR 70 10.236 10.843 4.556 565 HB2 TYR 70 HB2 TYR 70 8.099 9.645 4.959 566 HB3 TYR 70 HB3 TYR 70 7.509 11.036 5.860 567 HD1 TYR 70 HD1 TYR 70 6.962 13.132 4.679 568 HD2 TYR 70 HD2 TYR 70 8.108 9.624 2.580 569 HE1 TYR 70 HE1 TYR 70 6.038 14.076 2.612 570 HE2 TYR 70 HE2 TYR 70 7.203 10.556 0.506 571 HH TYR 70 HH TYR 70 6.236 13.833 0.197 572 H GLU 71 H GLU 71 8.697 12.461 7.320 573 HA GLU 71 HA GLU 71 8.475 14.998 6.207 574 HB2 GLU 71 HB2 GLU 71 8.869 14.266 9.109 575 HB3 GLU 71 HB3 GLU 71 8.164 15.748 8.495 576 HG2 GLU 71 HG2 GLU 71 6.345 14.430 7.472 577 HG3 GLU 71 HG3 GLU 71 7.031 12.984 8.210 578 H ARG 72 H ARG 72 10.990 13.781 8.433 579 HA ARG 72 HA ARG 72 12.452 16.208 8.364 580 HB2 ARG 72 HB2 ARG 72 13.157 13.446 9.331 581 HB3 ARG 72 HB3 ARG 72 14.277 14.799 9.439 582 HG2 ARG 72 HG2 ARG 72 12.664 16.034 10.789 583 HG3 ARG 72 HG3 ARG 72 11.535 14.687 10.675 584 HD2 ARG 72 HD2 ARG 72 13.047 13.257 11.893 585 HD3 ARG 72 HD3 ARG 72 14.282 14.518 11.906 586 HE ARG 72 HE ARG 72 12.744 15.839 13.307 587 HH11 ARG 72 HH11 ARG 72 12.329 12.356 13.156 588 HH12 ARG 72 HH12 ARG 72 11.398 12.285 14.625 589 HH21 ARG 72 HH21 ARG 72 11.571 15.743 15.226 590 HH22 ARG 72 HH22 ARG 72 10.975 14.222 15.812 591 H GLU 73 H GLU 73 12.670 13.238 6.481 592 HA GLU 73 HA GLU 73 15.190 13.903 5.316 593 HB2 GLU 73 HB2 GLU 73 14.120 11.578 5.485 594 HB3 GLU 73 HB3 GLU 73 13.161 12.048 4.088 595 HG2 GLU 73 HG2 GLU 73 15.075 10.769 3.384 596 HG3 GLU 73 HG3 GLU 73 15.221 12.431 2.816 597 H MET 74 H MET 74 11.885 14.727 4.618 598 HA MET 74 HA MET 74 12.224 15.599 1.954 599 HB2 MET 74 HB2 MET 74 10.282 16.380 4.119 600 HB3 MET 74 HB3 MET 74 10.264 17.164 2.547 601 HG2 MET 74 HG2 MET 74 10.147 14.193 2.678 602 HG3 MET 74 HG3 MET 74 8.708 15.124 3.079 603 HE1 MET 74 HE1 MET 74 11.223 14.020 0.347 604 HE2 MET 74 HE2 MET 74 11.548 15.753 0.292 605 HE3 MET 74 HE3 MET 74 10.747 14.963 -1.063 606 H LYS 75 H LYS 75 12.765 17.150 5.066 607 HA LYS 75 HA LYS 75 13.305 19.730 3.968 608 HB2 LYS 75 HB2 LYS 75 13.976 18.538 6.658 609 HB3 LYS 75 HB3 LYS 75 14.266 20.218 6.226 610 HG2 LYS 75 HG2 LYS 75 11.594 18.835 6.337 611 HG3 LYS 75 HG3 LYS 75 12.214 20.029 7.480 612 HD2 LYS 75 HD2 LYS 75 12.284 21.699 5.679 613 HD3 LYS 75 HD3 LYS 75 11.649 20.500 4.551 614 HE2 LYS 75 HE2 LYS 75 9.621 20.310 5.949 615 HE3 LYS 75 HE3 LYS 75 10.254 21.575 7.002 616 HZ1 LYS 75 HZ1 LYS 75 10.267 23.077 5.069 617 HZ2 LYS 75 HZ2 LYS 75 8.709 22.515 5.438 618 HZ3 LYS 75 HZ3 LYS 75 9.560 21.857 4.125 619 H THR 76 H THR 76 15.190 16.873 4.342 620 HA THR 76 HA THR 76 17.657 18.339 3.746 621 HB THR 76 HB THR 76 18.597 15.907 3.987 622 HG1 THR 76 HG1 THR 76 17.072 14.520 4.494 623 HG21 THR 76 HG21 THR 76 18.855 16.265 6.392 624 HG22 THR 76 HG22 THR 76 17.585 17.485 6.347 625 HG23 THR 76 HG23 THR 76 19.102 17.759 5.492 626 H TYR 77 H TYR 77 15.237 17.428 1.999 627 HA TYR 77 HA TYR 77 16.818 16.118 -0.100 628 HB2 TYR 77 HB2 TYR 77 14.931 14.796 0.673 629 HB3 TYR 77 HB3 TYR 77 13.836 16.142 0.375 630 HD1 TYR 77 HD1 TYR 77 15.924 13.563 -1.250 631 HD2 TYR 77 HD2 TYR 77 13.028 16.632 -1.829 632 HE1 TYR 77 HE1 TYR 77 15.517 12.750 -3.539 633 HE2 TYR 77 HE2 TYR 77 12.626 15.830 -4.114 634 HH TYR 77 HH TYR 77 13.643 14.540 -5.827 635 H ILE 78 H ILE 78 17.388 17.374 -1.705 636 HA ILE 78 HA ILE 78 15.711 19.708 -2.346 637 HB ILE 78 HB ILE 78 18.690 19.373 -2.809 638 HG12 ILE 78 HG12 ILE 78 18.715 21.454 -1.252 639 HG13 ILE 78 HG13 ILE 78 17.110 20.925 -0.769 640 HG21 ILE 78 HG21 ILE 78 17.647 20.671 -4.582 641 HG22 ILE 78 HG22 ILE 78 18.649 21.704 -3.563 642 HG23 ILE 78 HG23 ILE 78 16.894 21.726 -3.387 643 HD11 ILE 78 HD11 ILE 78 18.030 18.806 0.008 644 HD12 ILE 78 HD12 ILE 78 18.828 20.171 0.788 645 HD13 ILE 78 HD13 ILE 78 19.639 19.308 -0.518 646 HA PRO 79 HA PRO 79 14.834 17.146 -5.957 647 HB2 PRO 79 HB2 PRO 79 13.550 19.718 -6.744 648 HB3 PRO 79 HB3 PRO 79 12.891 18.078 -6.764 649 HG2 PRO 79 HG2 PRO 79 12.153 19.807 -4.885 650 HG3 PRO 79 HG3 PRO 79 12.421 18.099 -4.492 651 HD2 PRO 79 HD2 PRO 79 14.168 20.464 -3.964 652 HD3 PRO 79 HD3 PRO 79 13.867 19.037 -2.951 653 HA PRO 80 HA PRO 80 18.182 18.481 -8.549 654 HB2 PRO 80 HB2 PRO 80 16.765 16.916 -10.624 655 HB3 PRO 80 HB3 PRO 80 18.416 16.746 -10.022 656 HG2 PRO 80 HG2 PRO 80 16.529 14.980 -9.373 657 HG3 PRO 80 HG3 PRO 80 17.763 15.478 -8.200 658 HD2 PRO 80 HD2 PRO 80 14.901 16.337 -8.426 659 HD3 PRO 80 HD3 PRO 80 15.860 15.982 -6.974 660 H LYS 81 H LYS 81 18.559 19.816 -10.316 661 HA LYS 81 HA LYS 81 18.222 21.698 -11.491 662 HB2 LYS 81 HB2 LYS 81 16.480 19.747 -12.526 663 HB3 LYS 81 HB3 LYS 81 15.587 21.265 -12.523 664 HG2 LYS 81 HG2 LYS 81 18.308 20.847 -13.749 665 HG3 LYS 81 HG3 LYS 81 16.780 20.881 -14.633 666 HD2 LYS 81 HD2 LYS 81 16.436 23.157 -14.168 667 HD3 LYS 81 HD3 LYS 81 17.656 23.166 -12.892 668 HE2 LYS 81 HE2 LYS 81 18.231 22.734 -15.819 669 HE3 LYS 81 HE3 LYS 81 18.395 24.276 -14.981 670 HZ1 LYS 81 HZ1 LYS 81 20.522 23.228 -15.095 671 HZ2 LYS 81 HZ2 LYS 81 19.925 21.786 -14.436 672 HZ3 LYS 81 HZ3 LYS 81 20.008 23.188 -13.479 673 H GLY 82 H GLY 82 18.162 22.954 -9.680 674 HA2 GLY 82 HA2 GLY 82 15.852 24.616 -9.440 675 HA3 GLY 82 HA3 GLY 82 16.061 23.592 -8.020 676 H GLU 83 H GLU 83 18.465 25.048 -10.119 677 HA GLU 83 HA GLU 83 20.160 25.671 -7.919 678 HB2 GLU 83 HB2 GLU 83 20.320 26.392 -10.851 679 HB3 GLU 83 HB3 GLU 83 21.593 26.725 -9.687 680 HG2 GLU 83 HG2 GLU 83 22.179 24.763 -10.903 681 HG3 GLU 83 HG3 GLU 83 21.771 24.287 -9.259 682 H LEU 14 H LEU 14 -22.044 15.013 7.158 683 HA LEU 14 HA LEU 14 -22.086 12.565 8.359 684 HB2 LEU 14 HB2 LEU 14 -19.658 12.475 8.155 685 HB3 LEU 14 HB3 LEU 14 -19.508 14.005 9.000 686 HG LEU 14 HG LEU 14 -20.430 12.960 11.035 687 HD11 LEU 14 HD11 LEU 14 -20.330 10.417 9.414 688 HD12 LEU 14 HD12 LEU 14 -21.788 11.230 9.984 689 HD13 LEU 14 HD13 LEU 14 -20.660 10.526 11.144 690 HD21 LEU 14 HD21 LEU 14 -18.067 11.503 9.856 691 HD22 LEU 14 HD22 LEU 14 -18.475 11.608 11.568 692 HD23 LEU 14 HD23 LEU 14 -18.014 13.061 10.681 693 H SER 15 H SER 15 -23.839 13.205 9.437 694 HA SER 15 HA SER 15 -23.546 15.431 11.351 695 HB2 SER 15 HB2 SER 15 -25.249 15.739 9.506 696 HB3 SER 15 HB3 SER 15 -26.119 14.355 10.161 697 HG SER 15 HG SER 15 -25.520 16.740 11.595 698 H GLN 16 H GLN 16 -23.586 12.170 11.062 699 HA GLN 16 HA GLN 16 -25.317 11.579 13.315 700 HB2 GLN 16 HB2 GLN 16 -23.684 9.684 11.616 701 HB3 GLN 16 HB3 GLN 16 -24.920 9.233 12.777 702 HG2 GLN 16 HG2 GLN 16 -25.883 9.025 10.631 703 HG3 GLN 16 HG3 GLN 16 -26.574 10.475 11.356 704 HE21 GLN 16 HE21 GLN 16 -27.108 11.334 9.338 705 HE22 GLN 16 HE22 GLN 16 -25.911 11.963 8.253 706 H GLU 17 H GLU 17 -23.973 12.677 14.922 707 HA GLU 17 HA GLU 17 -21.457 11.373 15.572 708 HB2 GLU 17 HB2 GLU 17 -22.985 13.471 17.124 709 HB3 GLU 17 HB3 GLU 17 -21.345 12.937 17.455 710 HG2 GLU 17 HG2 GLU 17 -20.786 13.741 15.109 711 HG3 GLU 17 HG3 GLU 17 -22.355 14.549 15.148 712 H THR 18 H THR 18 -24.225 12.166 17.639 713 HA THR 18 HA THR 18 -23.864 10.060 19.441 714 HB THR 18 HB THR 18 -26.531 11.334 18.815 715 HG1 THR 18 HG1 THR 18 -25.892 13.098 20.015 716 HG21 THR 18 HG21 THR 18 -26.571 9.523 20.456 717 HG22 THR 18 HG22 THR 18 -26.881 11.070 21.244 718 HG23 THR 18 HG23 THR 18 -25.294 10.312 21.380 719 H PHE 19 H PHE 19 -25.673 10.338 16.479 720 HA PHE 19 HA PHE 19 -27.316 8.110 16.612 721 HB2 PHE 19 HB2 PHE 19 -26.001 9.269 14.147 722 HB3 PHE 19 HB3 PHE 19 -27.453 8.275 14.182 723 HD1 PHE 19 HD2 PHE 19 -26.057 11.568 15.164 724 HD2 PHE 19 HD1 PHE 19 -29.565 9.217 14.587 725 HE1 PHE 19 HE2 PHE 19 -27.446 13.587 15.378 726 HE2 PHE 19 HE1 PHE 19 -30.956 11.234 14.803 727 HZ PHE 19 HZ PHE 19 -29.897 13.420 15.198 728 H SER 20 H SER 20 -23.914 8.340 15.808 729 HA SER 20 HA SER 20 -23.839 5.548 14.971 730 HB2 SER 20 HB2 SER 20 -22.606 7.349 13.704 731 HB3 SER 20 HB3 SER 20 -21.547 7.521 15.102 732 HG SER 20 HG SER 20 -20.541 6.102 13.762 733 H ASP 21 H ASP 21 -23.060 7.575 17.671 734 HA ASP 21 HA ASP 21 -21.260 5.726 18.920 735 HB2 ASP 21 HB2 ASP 21 -21.096 8.122 19.362 736 HB3 ASP 21 HB3 ASP 21 -22.718 8.125 20.042 737 H LEU 22 H LEU 22 -24.677 6.222 18.884 738 HA LEU 22 HA LEU 22 -25.462 5.074 21.291 739 HB2 LEU 22 HB2 LEU 22 -26.831 5.103 18.609 740 HB3 LEU 22 HB3 LEU 22 -27.596 4.529 20.078 741 HG LEU 22 HG LEU 22 -26.540 7.330 19.702 742 HD11 LEU 22 HD11 LEU 22 -28.401 6.871 18.189 743 HD12 LEU 22 HD12 LEU 22 -28.869 7.989 19.471 744 HD13 LEU 22 HD13 LEU 22 -29.367 6.298 19.549 745 HD21 LEU 22 HD21 LEU 22 -27.814 7.821 21.715 746 HD22 LEU 22 HD22 LEU 22 -26.617 6.564 22.028 747 HD23 LEU 22 HD23 LEU 22 -28.313 6.133 21.826 748 H TRP 23 H TRP 23 -24.625 3.482 18.236 749 HA TRP 23 HA TRP 23 -25.372 0.917 19.415 750 HB2 TRP 23 HB2 TRP 23 -25.225 -0.039 17.232 751 HB3 TRP 23 HB3 TRP 23 -26.090 1.482 17.078 752 HD1 TRP 23 HD1 TRP 23 -24.821 3.487 15.792 753 HE1 TRP 23 HE1 TRP 23 -22.878 3.452 14.098 754 HE3 TRP 23 HE3 TRP 23 -23.109 -1.261 16.611 755 HZ2 TRP 23 HZ2 TRP 23 -20.889 1.640 13.225 756 HZ3 TRP 23 HZ3 TRP 23 -21.189 -2.067 15.300 757 HH2 TRP 23 HH2 TRP 23 -20.106 -0.646 13.643 758 H LYS 24 H LYS 24 -22.723 2.829 19.455 759 HA LYS 24 HA LYS 24 -20.732 0.749 19.107 760 HB2 LYS 24 HB2 LYS 24 -20.529 3.616 20.037 761 HB3 LYS 24 HB3 LYS 24 -19.150 2.531 19.932 762 HG2 LYS 24 HG2 LYS 24 -19.505 2.293 17.534 763 HG3 LYS 24 HG3 LYS 24 -20.917 3.348 17.634 764 HD2 LYS 24 HD2 LYS 24 -19.519 5.189 18.373 765 HD3 LYS 24 HD3 LYS 24 -18.100 4.141 18.361 766 HE2 LYS 24 HE2 LYS 24 -19.782 4.725 15.929 767 HE3 LYS 24 HE3 LYS 24 -18.336 5.637 16.362 768 HZ1 LYS 24 HZ1 LYS 24 -17.035 3.618 16.187 769 HZ2 LYS 24 HZ2 LYS 24 -17.862 3.910 14.734 770 HZ3 LYS 24 HZ3 LYS 24 -18.420 2.715 15.803 771 H LEU 25 H LEU 25 -22.956 1.113 21.319 772 HA LEU 25 HA LEU 25 -21.366 0.927 23.726 773 HB2 LEU 25 HB2 LEU 25 -24.341 0.638 23.298 774 HB3 LEU 25 HB3 LEU 25 -23.544 0.713 24.858 775 HG LEU 25 HG LEU 25 -23.578 2.937 22.812 776 HD11 LEU 25 HD11 LEU 25 -25.044 2.674 25.431 777 HD12 LEU 25 HD12 LEU 25 -25.767 2.560 23.827 778 HD13 LEU 25 HD13 LEU 25 -25.056 4.081 24.368 779 HD21 LEU 25 HD21 LEU 25 -22.592 4.292 24.585 780 HD22 LEU 25 HD22 LEU 25 -21.546 2.933 24.171 781 HD23 LEU 25 HD23 LEU 25 -22.520 2.878 25.638 782 H LEU 26 H LEU 26 -21.918 -1.194 21.337 783 HA LEU 26 HA LEU 26 -22.135 -3.483 23.146 784 HB2 LEU 26 HB2 LEU 26 -22.294 -4.789 20.932 785 HB3 LEU 26 HB3 LEU 26 -23.681 -3.872 21.479 786 HG LEU 26 HG LEU 26 -22.748 -2.013 19.896 787 HD11 LEU 26 HD11 LEU 26 -21.515 -4.474 18.661 788 HD12 LEU 26 HD12 LEU 26 -20.627 -3.135 19.387 789 HD13 LEU 26 HD13 LEU 26 -21.594 -2.867 17.935 790 HD21 LEU 26 HD21 LEU 26 -24.878 -3.143 19.602 791 HD22 LEU 26 HD22 LEU 26 -24.064 -4.523 18.863 792 HD23 LEU 26 HD23 LEU 26 -24.057 -2.957 18.051 793 HA PRO 27 HA PRO 27 -17.791 -4.101 22.479 794 HB2 PRO 27 HB2 PRO 27 -17.650 -6.022 24.495 795 HB3 PRO 27 HB3 PRO 27 -17.455 -4.283 24.711 796 HG2 PRO 27 HG2 PRO 27 -19.560 -5.913 25.693 797 HG3 PRO 27 HG3 PRO 27 -19.439 -4.151 25.782 798 HD2 PRO 27 HD2 PRO 27 -20.966 -5.847 23.888 799 HD3 PRO 27 HD3 PRO 27 -21.289 -4.189 24.439 800 H GLU 28 H GLU 28 -17.668 -5.160 20.516 801 HA GLU 28 HA GLU 28 -17.440 -8.068 20.753 802 HB2 GLU 28 HB2 GLU 28 -18.458 -8.435 18.576 803 HB3 GLU 28 HB3 GLU 28 -19.596 -7.616 19.630 804 HG2 GLU 28 HG2 GLU 28 -19.310 -5.561 18.505 805 HG3 GLU 28 HG3 GLU 28 -17.901 -6.157 17.628 806 H ASN 29 H ASN 29 -16.541 -8.631 18.205 807 HA ASN 29 HA ASN 29 -13.903 -7.526 18.234 808 HB2 ASN 29 HB2 ASN 29 -14.217 -9.815 17.497 809 HB3 ASN 29 HB3 ASN 29 -15.300 -9.294 16.209 810 HD21 ASN 29 HD21 ASN 29 -14.448 -8.589 14.297 811 HD22 ASN 29 HD22 ASN 29 -12.751 -8.554 13.962 812 H ASN 30 H ASN 30 -16.434 -7.468 15.730 813 HA ASN 30 HA ASN 30 -16.677 -4.750 15.439 814 HB2 ASN 30 HB2 ASN 30 -14.297 -4.723 14.714 815 HB3 ASN 30 HB3 ASN 30 -14.709 -5.815 13.394 816 HD21 ASN 30 HD21 ASN 30 -14.008 -4.272 11.882 817 HD22 ASN 30 HD22 ASN 30 -14.970 -2.888 11.490 818 H VAL 31 H VAL 31 -18.346 -4.312 14.090 819 HA VAL 31 HA VAL 31 -19.836 -6.473 13.055 820 HB VAL 31 HB VAL 31 -20.202 -3.513 12.606 821 HG11 VAL 31 HG11 VAL 31 -21.361 -4.790 10.896 822 HG12 VAL 31 HG12 VAL 31 -22.519 -4.073 12.016 823 HG13 VAL 31 HG13 VAL 31 -22.125 -5.789 12.133 824 HG21 VAL 31 HG21 VAL 31 -21.921 -3.700 14.361 825 HG22 VAL 31 HG22 VAL 31 -20.311 -4.107 14.955 826 HG23 VAL 31 HG23 VAL 31 -21.469 -5.388 14.600 827 H LEU 32 H LEU 32 -17.598 -4.280 11.751 828 HA LEU 32 HA LEU 32 -16.448 -4.148 9.810 829 HB2 LEU 32 HB2 LEU 32 -17.654 -6.877 9.389 830 HB3 LEU 32 HB3 LEU 32 -16.560 -6.136 8.237 831 HG LEU 32 HG LEU 32 -15.848 -6.697 11.119 832 HD11 LEU 32 HD11 LEU 32 -16.252 -8.776 9.912 833 HD12 LEU 32 HD12 LEU 32 -14.533 -8.560 10.237 834 HD13 LEU 32 HD13 LEU 32 -15.170 -8.250 8.622 835 HD21 LEU 32 HD21 LEU 32 -14.151 -5.933 8.740 836 HD22 LEU 32 HD22 LEU 32 -13.564 -6.278 10.367 837 HD23 LEU 32 HD23 LEU 32 -14.585 -4.870 10.079 838 H SER 33 H SER 33 -17.199 -2.490 8.683 839 HA SER 33 HA SER 33 -19.661 -2.562 7.227 840 HB2 SER 33 HB2 SER 33 -17.299 -0.678 6.985 841 HB3 SER 33 HB3 SER 33 -18.905 -0.410 6.303 842 HG SER 33 HG SER 33 -19.563 -0.769 8.654 843 HA PRO 34 HA PRO 34 -18.367 -5.217 3.986 844 HB2 PRO 34 HB2 PRO 34 -20.247 -3.589 2.349 845 HB3 PRO 34 HB3 PRO 34 -20.172 -5.341 2.577 846 HG2 PRO 34 HG2 PRO 34 -22.039 -3.904 3.804 847 HG3 PRO 34 HG3 PRO 34 -21.235 -5.247 4.639 848 HD2 PRO 34 HD2 PRO 34 -20.813 -2.302 4.931 849 HD3 PRO 34 HD3 PRO 34 -20.800 -3.575 6.169 850 H LEU 35 H LEU 35 -16.466 -5.009 3.081 851 HA LEU 35 HA LEU 35 -15.865 -2.632 1.456 852 HB2 LEU 35 HB2 LEU 35 -14.343 -3.133 3.364 853 HB3 LEU 35 HB3 LEU 35 -13.975 -4.681 2.630 854 HG LEU 35 HG LEU 35 -13.074 -3.416 0.642 855 HD11 LEU 35 HD11 LEU 35 -13.323 -1.076 2.527 856 HD12 LEU 35 HD12 LEU 35 -14.223 -1.301 1.026 857 HD13 LEU 35 HD13 LEU 35 -12.475 -1.073 0.981 858 HD21 LEU 35 HD21 LEU 35 -10.957 -2.884 1.731 859 HD22 LEU 35 HD22 LEU 35 -11.620 -4.399 2.343 860 HD23 LEU 35 HD23 LEU 35 -11.749 -2.927 3.307 861 HA PRO 36 HA PRO 36 -16.334 -5.286 -2.112 862 HB2 PRO 36 HB2 PRO 36 -14.689 -3.232 -3.459 863 HB3 PRO 36 HB3 PRO 36 -16.313 -3.801 -3.850 864 HG2 PRO 36 HG2 PRO 36 -15.923 -1.390 -2.775 865 HG3 PRO 36 HG3 PRO 36 -17.324 -2.383 -2.324 866 HD2 PRO 36 HD2 PRO 36 -14.766 -1.928 -0.832 867 HD3 PRO 36 HD3 PRO 36 -16.431 -2.002 -0.217 868 H SER 37 H SER 37 -15.064 -6.624 -3.433 869 HA SER 37 HA SER 37 -12.394 -7.129 -2.361 870 HB2 SER 37 HB2 SER 37 -14.021 -8.731 -4.355 871 HB3 SER 37 HB3 SER 37 -12.561 -9.267 -3.521 872 HG SER 37 HG SER 37 -14.143 -8.522 -1.610 873 H GLN 38 H GLN 38 -13.231 -4.939 -4.332 874 HA GLN 38 HA GLN 38 -12.255 -5.465 -6.896 875 HB2 GLN 38 HB2 GLN 38 -13.664 -3.535 -6.350 876 HB3 GLN 38 HB3 GLN 38 -12.354 -2.834 -5.411 877 HG2 GLN 38 HG2 GLN 38 -10.997 -2.754 -7.502 878 HG3 GLN 38 HG3 GLN 38 -12.430 -3.275 -8.387 879 HE21 GLN 38 HE21 GLN 38 -12.524 -1.376 -9.588 880 HE22 GLN 38 HE22 GLN 38 -13.016 0.135 -8.887 881 H ALA 39 H ALA 39 -10.615 -3.482 -4.413 882 HA ALA 39 HA ALA 39 -8.113 -3.712 -5.829 883 HB1 ALA 39 HB1 ALA 39 -7.226 -2.244 -4.109 884 HB2 ALA 39 HB2 ALA 39 -8.703 -2.430 -3.164 885 HB3 ALA 39 HB3 ALA 39 -8.752 -1.615 -4.728 886 H MET 40 H MET 40 -7.123 -5.630 -5.713 887 HA MET 40 HA MET 40 -6.599 -6.707 -3.036 888 HB2 MET 40 HB2 MET 40 -8.367 -8.032 -4.217 889 HB3 MET 40 HB3 MET 40 -7.169 -8.416 -5.447 890 HG2 MET 40 HG2 MET 40 -5.805 -9.556 -3.815 891 HG3 MET 40 HG3 MET 40 -6.918 -9.098 -2.527 892 HE1 MET 40 HE1 MET 40 -7.244 -11.513 -1.656 893 HE2 MET 40 HE2 MET 40 -6.056 -12.088 -2.827 894 HE3 MET 40 HE3 MET 40 -7.615 -12.901 -2.680 895 H ASP 41 H ASP 41 -5.667 -6.644 -6.392 896 HA ASP 41 HA ASP 41 -3.079 -7.810 -5.967 897 HB2 ASP 41 HB2 ASP 41 -4.241 -8.085 -8.096 898 HB3 ASP 41 HB3 ASP 41 -4.265 -6.343 -8.336 899 H ASP 42 H ASP 42 -4.267 -4.596 -6.790 900 HA ASP 42 HA ASP 42 -1.695 -3.396 -6.066 901 HB2 ASP 42 HB2 ASP 42 -2.744 -1.304 -6.991 902 HB3 ASP 42 HB3 ASP 42 -2.593 -2.613 -8.160 903 H LEU 43 H LEU 43 -3.456 -4.591 -4.138 904 HA LEU 43 HA LEU 43 -5.224 -2.891 -2.846 905 HB2 LEU 43 HB2 LEU 43 -4.718 -5.427 -2.583 906 HB3 LEU 43 HB3 LEU 43 -3.561 -4.908 -1.375 907 HG LEU 43 HG LEU 43 -6.485 -4.187 -1.228 908 HD11 LEU 43 HD11 LEU 43 -6.732 -6.046 0.338 909 HD12 LEU 43 HD12 LEU 43 -5.073 -6.545 0.016 910 HD13 LEU 43 HD13 LEU 43 -6.279 -6.619 -1.269 911 HD21 LEU 43 HD21 LEU 43 -4.303 -4.270 0.860 912 HD22 LEU 43 HD22 LEU 43 -5.989 -3.839 1.142 913 HD23 LEU 43 HD23 LEU 43 -4.975 -2.814 0.127 914 H MET 44 H MET 44 -1.879 -3.635 -1.786 915 HA MET 44 HA MET 44 -1.979 -1.322 -0.013 916 HB2 MET 44 HB2 MET 44 0.306 -3.254 -0.392 917 HB3 MET 44 HB3 MET 44 0.093 -2.111 0.922 918 HG2 MET 44 HG2 MET 44 -0.451 -4.157 1.839 919 HG3 MET 44 HG3 MET 44 -2.014 -3.418 1.488 920 HE1 MET 44 HE1 MET 44 -2.509 -7.303 0.853 921 HE2 MET 44 HE2 MET 44 -3.031 -5.925 1.821 922 HE3 MET 44 HE3 MET 44 -1.407 -6.583 2.025 923 H LEU 45 H LEU 45 0.550 -2.585 -2.148 924 HA LEU 45 HA LEU 45 1.466 0.143 -2.546 925 HB2 LEU 45 HB2 LEU 45 2.793 -2.471 -3.298 926 HB3 LEU 45 HB3 LEU 45 3.507 -0.879 -3.481 927 HG LEU 45 HG LEU 45 2.914 -2.353 -0.913 928 HD11 LEU 45 HD11 LEU 45 5.449 -1.201 -2.079 929 HD12 LEU 45 HD12 LEU 45 5.044 -2.913 -1.932 930 HD13 LEU 45 HD13 LEU 45 5.310 -1.938 -0.484 931 HD21 LEU 45 HD21 LEU 45 2.176 -0.076 -0.611 932 HD22 LEU 45 HD22 LEU 45 3.694 0.528 -1.272 933 HD23 LEU 45 HD23 LEU 45 3.686 -0.344 0.260 934 H SER 46 H SER 46 -0.095 0.893 -3.945 935 HA SER 46 HA SER 46 -0.623 -0.368 -6.466 936 HB2 SER 46 HB2 SER 46 -1.145 2.514 -5.698 937 HB3 SER 46 HB3 SER 46 -1.970 1.564 -6.934 938 HG SER 46 HG SER 46 -2.599 0.154 -5.074 939 HA PRO 47 HA PRO 47 3.010 0.969 -8.569 940 HB2 PRO 47 HB2 PRO 47 1.476 1.048 -11.044 941 HB3 PRO 47 HB3 PRO 47 2.800 -0.021 -10.587 942 HG2 PRO 47 HG2 PRO 47 0.272 -0.910 -10.786 943 HG3 PRO 47 HG3 PRO 47 1.399 -1.547 -9.574 944 HD2 PRO 47 HD2 PRO 47 -0.812 0.449 -9.246 945 HD3 PRO 47 HD3 PRO 47 -0.334 -0.892 -8.182 946 H ASP 48 H ASP 48 0.680 3.025 -7.901 947 HA ASP 48 HA ASP 48 0.838 5.074 -9.830 948 HB2 ASP 48 HB2 ASP 48 0.287 5.400 -6.870 949 HB3 ASP 48 HB3 ASP 48 -0.173 6.509 -8.152 950 H ASP 49 H ASP 49 2.188 5.058 -6.555 951 HA ASP 49 HA ASP 49 4.228 6.995 -7.409 952 HB2 ASP 49 HB2 ASP 49 2.711 7.598 -5.523 953 HB3 ASP 49 HB3 ASP 49 3.330 6.224 -4.617 954 H ILE 50 H ILE 50 3.822 3.758 -6.304 955 HA ILE 50 HA ILE 50 6.094 3.551 -4.654 956 HB ILE 50 HB ILE 50 5.673 1.201 -4.561 957 HG12 ILE 50 HG12 ILE 50 3.682 1.591 -6.807 958 HG13 ILE 50 HG13 ILE 50 5.307 0.960 -7.050 959 HG21 ILE 50 HG21 ILE 50 3.314 1.268 -3.906 960 HG22 ILE 50 HG22 ILE 50 3.147 2.812 -4.743 961 HG23 ILE 50 HG23 ILE 50 4.205 2.681 -3.342 962 HD11 ILE 50 HD11 ILE 50 4.794 -0.937 -5.630 963 HD12 ILE 50 HD12 ILE 50 3.645 -0.813 -6.962 964 HD13 ILE 50 HD13 ILE 50 3.178 -0.297 -5.341 965 H GLU 51 H GLU 51 5.892 3.335 -8.105 966 HA GLU 51 HA GLU 51 7.694 1.201 -8.423 967 HB2 GLU 51 HB2 GLU 51 6.102 2.001 -10.182 968 HB3 GLU 51 HB3 GLU 51 7.165 3.378 -10.451 969 HG2 GLU 51 HG2 GLU 51 8.938 1.962 -11.176 970 HG3 GLU 51 HG3 GLU 51 8.057 0.519 -10.685 971 H GLN 52 H GLN 52 8.198 4.385 -7.477 972 HA GLN 52 HA GLN 52 10.824 4.867 -8.322 973 HB2 GLN 52 HB2 GLN 52 9.734 5.605 -5.605 974 HB3 GLN 52 HB3 GLN 52 10.952 6.455 -6.545 975 HG2 GLN 52 HG2 GLN 52 9.168 6.952 -8.230 976 HG3 GLN 52 HG3 GLN 52 8.000 6.260 -7.094 977 HE21 GLN 52 HE21 GLN 52 7.427 7.393 -5.277 978 HE22 GLN 52 HE22 GLN 52 7.883 9.041 -5.012 979 H TRP 53 H TRP 53 9.503 2.784 -5.841 980 HA TRP 53 HA TRP 53 12.214 1.870 -5.213 981 HB2 TRP 53 HB2 TRP 53 11.136 1.383 -2.846 982 HB3 TRP 53 HB3 TRP 53 11.860 2.937 -3.233 983 HD1 TRP 53 HD1 TRP 53 10.088 4.942 -3.889 984 HE1 TRP 53 HE1 TRP 53 7.722 5.383 -2.995 985 HE3 TRP 53 HE3 TRP 53 9.078 0.322 -1.970 986 HZ2 TRP 53 HZ2 TRP 53 5.696 3.966 -1.635 987 HZ3 TRP 53 HZ3 TRP 53 6.909 -0.050 -0.875 988 HH2 TRP 53 HH2 TRP 53 5.256 1.735 -0.709 989 H PHE 54 H PHE 54 8.759 0.987 -5.228 990 HA PHE 54 HA PHE 54 9.503 -1.838 -5.110 991 HB2 PHE 54 HB2 PHE 54 7.538 -1.066 -3.782 992 HB3 PHE 54 HB3 PHE 54 6.739 -0.594 -5.275 993 HD1 PHE 54 HD2 PHE 54 8.569 -3.543 -5.872 994 HD2 PHE 54 HD1 PHE 54 4.973 -2.149 -4.062 995 HE1 PHE 54 HE2 PHE 54 7.601 -5.787 -6.073 996 HE2 PHE 54 HE1 PHE 54 4.003 -4.391 -4.274 997 HZ PHE 54 HZ PHE 54 5.311 -6.214 -5.275 998 H THR 55 H THR 55 10.308 -2.530 -6.978 999 HA THR 55 HA THR 55 8.728 -2.056 -9.415 1000 HB THR 55 HB THR 55 10.994 -2.536 -10.580 1001 HG1 THR 55 HG1 THR 55 12.602 -2.797 -9.245 1002 HG21 THR 55 HG21 THR 55 11.597 -0.153 -10.498 1003 HG22 THR 55 HG22 THR 55 10.522 0.062 -9.117 1004 HG23 THR 55 HG23 THR 55 9.859 -0.386 -10.688 1005 H GLU 56 H GLU 56 7.924 -3.834 -10.334 1006 HA GLU 56 HA GLU 56 8.947 -6.457 -9.580 1007 HB2 GLU 56 HB2 GLU 56 6.485 -6.060 -9.778 1008 HB3 GLU 56 HB3 GLU 56 6.705 -5.767 -11.497 1009 HG2 GLU 56 HG2 GLU 56 7.567 -8.055 -11.758 1010 HG3 GLU 56 HG3 GLU 56 7.289 -8.338 -10.042 1011 H ASP 57 H ASP 57 10.692 -7.151 -10.615 1012 HA ASP 57 HA ASP 57 11.738 -5.926 -12.917 1013 HB2 ASP 57 HB2 ASP 57 12.413 -8.677 -11.853 1014 HB3 ASP 57 HB3 ASP 57 13.411 -7.690 -12.916 1015 HA PRO 58 HA PRO 58 9.300 -7.929 -15.983 1016 HB2 PRO 58 HB2 PRO 58 10.560 -7.019 -18.174 1017 HB3 PRO 58 HB3 PRO 58 9.609 -5.955 -17.132 1018 HG2 PRO 58 HG2 PRO 58 12.573 -6.324 -17.269 1019 HG3 PRO 58 HG3 PRO 58 11.635 -4.831 -17.078 1020 HD2 PRO 58 HD2 PRO 58 12.853 -6.169 -15.007 1021 HD3 PRO 58 HD3 PRO 58 11.453 -5.096 -14.816 1022 H GLY 59 H GLY 59 12.064 -9.141 -14.949 1023 HA2 GLY 59 HA2 GLY 59 12.787 -11.339 -15.248 1024 HA3 GLY 59 HA3 GLY 59 11.877 -11.407 -16.748 1025 HA PRO 60 HA PRO 60 15.973 -11.194 -18.482 1026 HB2 PRO 60 HB2 PRO 60 14.798 -11.645 -21.074 1027 HB3 PRO 60 HB3 PRO 60 15.682 -12.787 -20.061 1028 HG2 PRO 60 HG2 PRO 60 13.006 -12.985 -20.639 1029 HG3 PRO 60 HG3 PRO 60 13.769 -13.689 -19.203 1030 HD2 PRO 60 HD2 PRO 60 12.211 -11.148 -19.470 1031 HD3 PRO 60 HD3 PRO 60 12.191 -12.352 -18.161 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 -0.476 15.311 -10.353 2 H2 GLY 1 HT2 GLY 1 0.856 15.884 -11.233 3 H3 GLY 1 HT3 GLY 1 0.660 16.330 -9.609 4 HA2 GLY 1 HA3 GLY 1 0.980 14.060 -8.896 5 HA3 GLY 1 HA2 GLY 1 1.155 13.569 -10.576 6 H LYS 2 H LYS 2 3.075 13.146 -8.537 7 HA LYS 2 HA LYS 2 5.269 14.817 -9.585 8 HB2 LYS 2 HB2 LYS 2 5.055 13.653 -6.797 9 HB3 LYS 2 HB3 LYS 2 6.422 14.564 -7.427 10 HG2 LYS 2 HG2 LYS 2 4.901 16.509 -7.740 11 HG3 LYS 2 HG3 LYS 2 3.634 15.584 -6.932 12 HD2 LYS 2 HD2 LYS 2 5.045 15.410 -4.933 13 HD3 LYS 2 HD3 LYS 2 6.300 16.352 -5.742 14 HE2 LYS 2 HE2 LYS 2 5.128 17.874 -4.359 15 HE3 LYS 2 HE3 LYS 2 4.574 18.184 -6.003 16 HZ1 LYS 2 HZ1 LYS 2 3.134 16.946 -3.759 17 HZ2 LYS 2 HZ2 LYS 2 2.720 16.500 -5.337 18 HZ3 LYS 2 HZ3 LYS 2 2.602 18.126 -4.861 19 H GLY 3 H GLY 3 6.424 13.616 -10.929 20 HA2 GLY 3 HA2 GLY 3 6.610 10.720 -10.395 21 HA3 GLY 3 HA3 GLY 3 6.690 11.453 -11.989 22 H ASP 4 H ASP 4 8.378 12.003 -8.904 23 HA ASP 4 HA ASP 4 10.912 11.938 -10.378 24 HB2 ASP 4 HB2 ASP 4 10.627 13.930 -9.015 25 HB3 ASP 4 HB3 ASP 4 10.270 12.948 -7.596 26 HA PRO 5 HA PRO 5 11.239 7.849 -8.657 27 HB2 PRO 5 HB2 PRO 5 13.332 7.029 -10.125 28 HB3 PRO 5 HB3 PRO 5 11.727 7.239 -10.837 29 HG2 PRO 5 HG2 PRO 5 14.104 9.045 -10.954 30 HG3 PRO 5 HG3 PRO 5 12.944 8.636 -12.230 31 HD2 PRO 5 HD2 PRO 5 12.873 10.951 -10.732 32 HD3 PRO 5 HD3 PRO 5 11.468 10.243 -11.553 33 H LYS 6 H LYS 6 12.880 10.395 -7.709 34 HA LYS 6 HA LYS 6 15.019 8.861 -6.390 35 HB2 LYS 6 HB2 LYS 6 14.974 11.861 -6.704 36 HB3 LYS 6 HB3 LYS 6 16.344 10.836 -6.303 37 HG2 LYS 6 HG2 LYS 6 14.942 10.893 -8.969 38 HG3 LYS 6 HG3 LYS 6 16.458 11.709 -8.592 39 HD2 LYS 6 HD2 LYS 6 17.579 9.637 -8.251 40 HD3 LYS 6 HD3 LYS 6 16.062 8.737 -8.320 41 HE2 LYS 6 HE2 LYS 6 17.250 8.477 -10.406 42 HE3 LYS 6 HE3 LYS 6 15.794 9.435 -10.672 43 HZ1 LYS 6 HZ1 LYS 6 17.258 11.441 -10.476 44 HZ2 LYS 6 HZ2 LYS 6 17.535 10.483 -11.845 45 HZ3 LYS 6 HZ3 LYS 6 18.595 10.397 -10.521 46 H LYS 7 H LYS 7 12.100 9.584 -5.847 47 HA LYS 7 HA LYS 7 12.233 11.144 -3.417 48 HB2 LYS 7 HB2 LYS 7 9.972 9.888 -4.958 49 HB3 LYS 7 HB3 LYS 7 9.727 10.624 -3.380 50 HG2 LYS 7 HG2 LYS 7 10.526 12.754 -4.237 51 HG3 LYS 7 HG3 LYS 7 10.811 12.019 -5.815 52 HD2 LYS 7 HD2 LYS 7 8.719 13.252 -5.823 53 HD3 LYS 7 HD3 LYS 7 8.418 11.526 -6.004 54 HE2 LYS 7 HE2 LYS 7 8.309 12.822 -3.305 55 HE3 LYS 7 HE3 LYS 7 6.931 12.910 -4.397 56 HZ1 LYS 7 HZ1 LYS 7 8.205 10.404 -3.441 57 HZ2 LYS 7 HZ2 LYS 7 6.864 10.499 -4.470 58 HZ3 LYS 7 HZ3 LYS 7 6.748 11.044 -2.864 59 HA PRO 8 HA PRO 8 12.380 7.908 -0.374 60 HB2 PRO 8 HB2 PRO 8 10.166 9.432 0.906 61 HB3 PRO 8 HB3 PRO 8 11.708 8.899 1.586 62 HG2 PRO 8 HG2 PRO 8 11.350 11.447 0.957 63 HG3 PRO 8 HG3 PRO 8 12.893 10.646 0.607 64 HD2 PRO 8 HD2 PRO 8 10.645 11.317 -1.247 65 HD3 PRO 8 HD3 PRO 8 12.398 11.434 -1.512 66 H ARG 9 H ARG 9 11.050 6.245 0.602 67 HA ARG 9 HA ARG 9 8.862 5.540 -1.252 68 HB2 ARG 9 HB2 ARG 9 11.141 4.219 -0.965 69 HB3 ARG 9 HB3 ARG 9 10.297 3.508 0.403 70 HG2 ARG 9 HG2 ARG 9 8.461 2.872 -1.149 71 HG3 ARG 9 HG3 ARG 9 9.465 3.444 -2.482 72 HD2 ARG 9 HD2 ARG 9 9.973 1.145 -0.615 73 HD3 ARG 9 HD3 ARG 9 9.774 1.107 -2.365 74 HE ARG 9 HE ARG 9 12.158 1.967 -0.898 75 HH11 ARG 9 HH11 ARG 9 10.598 1.341 -3.972 76 HH12 ARG 9 HH12 ARG 9 12.084 1.327 -4.870 77 HH21 ARG 9 HH21 ARG 9 14.123 1.881 -2.075 78 HH22 ARG 9 HH22 ARG 9 14.087 1.609 -3.783 79 H GLY 10 H GLY 10 8.555 7.070 1.281 80 HA2 GLY 10 HA2 GLY 10 7.429 5.095 3.126 81 HA3 GLY 10 HA3 GLY 10 7.815 6.762 3.507 82 H LYS 11 H LYS 11 6.337 8.245 3.390 83 HA LYS 11 HA LYS 11 4.191 8.438 4.437 84 HB2 LYS 11 HB2 LYS 11 4.426 9.434 1.645 85 HB3 LYS 11 HB3 LYS 11 3.025 9.817 2.635 86 HG2 LYS 11 HG2 LYS 11 5.833 10.341 3.554 87 HG3 LYS 11 HG3 LYS 11 4.916 11.501 2.595 88 HD2 LYS 11 HD2 LYS 11 4.271 12.281 4.607 89 HD3 LYS 11 HD3 LYS 11 3.122 10.949 4.539 90 HE2 LYS 11 HE2 LYS 11 5.848 10.587 5.739 91 HE3 LYS 11 HE3 LYS 11 4.532 11.285 6.677 92 HZ1 LYS 11 HZ1 LYS 11 3.317 9.127 5.783 93 HZ2 LYS 11 HZ2 LYS 11 4.241 9.113 7.198 94 HZ3 LYS 11 HZ3 LYS 11 4.912 8.533 5.755 95 H MET 12 H MET 12 3.959 5.623 3.261 96 HA MET 12 HA MET 12 1.144 5.738 2.488 97 HB2 MET 12 HB2 MET 12 2.985 3.364 2.792 98 HB3 MET 12 HB3 MET 12 1.334 3.306 2.191 99 HG2 MET 12 HG2 MET 12 1.997 4.754 0.317 100 HG3 MET 12 HG3 MET 12 3.659 4.707 0.904 101 HE1 MET 12 HE1 MET 12 3.444 1.590 2.031 102 HE2 MET 12 HE2 MET 12 4.908 2.281 1.325 103 HE3 MET 12 HE3 MET 12 4.261 0.763 0.703 104 H SER 13 H SER 13 -0.319 4.101 3.607 105 HA SER 13 HA SER 13 -0.109 4.524 6.466 106 HB2 SER 13 HB2 SER 13 -2.260 3.147 4.841 107 HB3 SER 13 HB3 SER 13 -2.367 3.554 6.558 108 HG SER 13 HG SER 13 -1.740 5.593 4.744 109 H SER 14 H SER 14 -0.921 2.539 7.818 110 HA SER 14 HA SER 14 1.228 0.804 7.997 111 HB2 SER 14 HB2 SER 14 -1.523 0.161 9.048 112 HB3 SER 14 HB3 SER 14 0.043 -0.235 9.761 113 HG SER 14 HG SER 14 -1.123 1.587 10.721 114 H TYR 15 H TYR 15 -1.865 0.353 6.367 115 HA TYR 15 HA TYR 15 -1.732 -2.422 5.992 116 HB2 TYR 15 HB2 TYR 15 -3.758 -0.985 5.689 117 HB3 TYR 15 HB3 TYR 15 -3.069 -0.396 4.180 118 HD1 TYR 15 HD1 TYR 15 -3.103 -3.871 5.516 119 HD2 TYR 15 HD2 TYR 15 -4.562 -1.175 2.569 120 HE1 TYR 15 HE1 TYR 15 -4.191 -5.742 4.350 121 HE2 TYR 15 HE2 TYR 15 -5.652 -3.038 1.392 122 HH TYR 15 HH TYR 15 -6.079 -6.089 2.782 123 H ALA 16 H ALA 16 -0.852 0.205 3.724 124 HA ALA 16 HA ALA 16 0.298 -1.598 1.830 125 HB1 ALA 16 HB1 ALA 16 1.097 0.370 0.669 126 HB2 ALA 16 HB2 ALA 16 0.715 1.376 2.069 127 HB3 ALA 16 HB3 ALA 16 -0.581 0.593 1.166 128 H PHE 17 H PHE 17 1.524 0.205 4.566 129 HA PHE 17 HA PHE 17 4.270 -0.061 3.964 130 HB2 PHE 17 HB2 PHE 17 2.782 1.153 5.968 131 HB3 PHE 17 HB3 PHE 17 3.690 -0.098 6.818 132 HD1 PHE 17 HD2 PHE 17 3.939 2.937 4.775 133 HD2 PHE 17 HD1 PHE 17 6.077 0.026 7.027 134 HE1 PHE 17 HE2 PHE 17 5.939 4.369 4.715 135 HE2 PHE 17 HE1 PHE 17 8.083 1.448 6.968 136 HZ PHE 17 HZ PHE 17 8.015 3.621 5.815 137 H PHE 18 H PHE 18 1.991 -2.072 5.727 138 HA PHE 18 HA PHE 18 3.657 -4.042 6.712 139 HB2 PHE 18 HB2 PHE 18 1.456 -4.234 7.417 140 HB3 PHE 18 HB3 PHE 18 0.808 -3.975 5.804 141 HD1 PHE 18 HD1 PHE 18 2.709 -6.488 7.806 142 HD2 PHE 18 HD2 PHE 18 0.031 -5.755 4.581 143 HE1 PHE 18 HE1 PHE 18 2.391 -8.910 7.520 144 HE2 PHE 18 HE2 PHE 18 -0.286 -8.177 4.288 145 HZ PHE 18 HZ PHE 18 0.896 -9.756 5.757 146 H VAL 19 H VAL 19 2.068 -3.946 3.515 147 HA VAL 19 HA VAL 19 3.319 -6.389 2.702 148 HB VAL 19 HB VAL 19 1.122 -5.482 1.812 149 HG11 VAL 19 HG11 VAL 19 1.710 -3.243 1.293 150 HG12 VAL 19 HG12 VAL 19 1.318 -4.065 -0.218 151 HG13 VAL 19 HG13 VAL 19 3.001 -3.770 0.219 152 HG21 VAL 19 HG21 VAL 19 1.396 -6.490 -0.357 153 HG22 VAL 19 HG22 VAL 19 2.297 -7.413 0.846 154 HG23 VAL 19 HG23 VAL 19 3.150 -6.324 -0.251 155 H GLN 20 H GLN 20 4.113 -2.967 2.363 156 HA GLN 20 HA GLN 20 6.052 -3.313 0.320 157 HB2 GLN 20 HB2 GLN 20 5.076 -1.104 0.867 158 HB3 GLN 20 HB3 GLN 20 5.947 -1.117 2.398 159 HG2 GLN 20 HG2 GLN 20 8.036 -1.486 0.889 160 HG3 GLN 20 HG3 GLN 20 7.005 -0.836 -0.380 161 HE21 GLN 20 HE21 GLN 20 6.423 1.327 -0.317 162 HE22 GLN 20 HE22 GLN 20 7.194 2.467 0.733 163 H THR 21 H THR 21 6.342 -3.048 3.870 164 HA THR 21 HA THR 21 9.140 -3.117 3.926 165 HB THR 21 HB THR 21 7.805 -2.417 5.867 166 HG1 THR 21 HG1 THR 21 9.772 -4.405 6.063 167 HG21 THR 21 HG21 THR 21 7.191 -5.351 6.213 168 HG22 THR 21 HG22 THR 21 6.032 -4.113 5.729 169 HG23 THR 21 HG23 THR 21 6.759 -4.058 7.337 170 H CYS 22 H CYS 22 6.775 -5.739 3.820 171 HA CYS 22 HA CYS 22 8.671 -7.814 4.286 172 HB2 CYS 22 HB2 CYS 22 5.983 -7.924 2.901 173 HB3 CYS 22 HB3 CYS 22 6.897 -9.316 3.471 174 HG CYS 22 HG CYS 22 5.074 -7.075 5.226 175 H ARG 23 H ARG 23 7.395 -6.251 1.412 176 HA ARG 23 HA ARG 23 8.662 -7.920 -0.510 177 HB2 ARG 23 HB2 ARG 23 6.726 -6.521 -1.049 178 HB3 ARG 23 HB3 ARG 23 7.653 -5.072 -0.689 179 HG2 ARG 23 HG2 ARG 23 9.234 -6.128 -2.562 180 HG3 ARG 23 HG3 ARG 23 7.686 -6.804 -3.077 181 HD2 ARG 23 HD2 ARG 23 7.898 -4.751 -4.218 182 HD3 ARG 23 HD3 ARG 23 6.755 -4.452 -2.906 183 HE ARG 23 HE ARG 23 9.535 -3.816 -2.337 184 HH11 ARG 23 HH11 ARG 23 6.383 -2.660 -3.308 185 HH12 ARG 23 HH12 ARG 23 6.777 -0.991 -3.062 186 HH21 ARG 23 HH21 ARG 23 10.074 -1.616 -1.998 187 HH22 ARG 23 HH22 ARG 23 8.873 -0.399 -2.323 188 H GLU 24 H GLU 24 9.427 -4.780 0.884 189 HA GLU 24 HA GLU 24 11.695 -4.348 -0.780 190 HB2 GLU 24 HB2 GLU 24 10.267 -2.552 0.068 191 HB3 GLU 24 HB3 GLU 24 10.744 -2.915 1.711 192 HG2 GLU 24 HG2 GLU 24 11.978 -1.019 1.052 193 HG3 GLU 24 HG3 GLU 24 13.114 -2.368 0.994 194 H GLU 25 H GLU 25 11.215 -5.648 2.466 195 HA GLU 25 HA GLU 25 13.981 -5.716 3.136 196 HB2 GLU 25 HB2 GLU 25 12.309 -5.902 4.890 197 HB3 GLU 25 HB3 GLU 25 11.680 -7.380 4.174 198 HG2 GLU 25 HG2 GLU 25 13.479 -8.644 4.866 199 HG3 GLU 25 HG3 GLU 25 14.540 -7.244 5.007 200 H HIS 26 H HIS 26 11.855 -7.785 1.323 201 HA HIS 26 HA HIS 26 13.463 -10.074 1.115 202 HB2 HIS 26 HB2 HIS 26 11.067 -9.774 0.315 203 HB3 HIS 26 HB3 HIS 26 11.723 -8.934 -1.080 204 HD1 HIS 26 HD1 HIS 26 10.053 -11.603 -1.156 205 HD2 HIS 26 HD2 HIS 26 14.193 -11.328 -1.443 206 HE1 HIS 26 HE1 HIS 26 10.782 -13.645 -2.429 207 HE2 HIS 26 HE2 HIS 26 13.266 -13.370 -2.742 208 H LYS 27 H LYS 27 13.508 -6.985 -0.597 209 HA LYS 27 HA LYS 27 15.441 -7.577 -2.539 210 HB2 LYS 27 HB2 LYS 27 14.849 -4.998 -1.101 211 HB3 LYS 27 HB3 LYS 27 15.972 -5.119 -2.442 212 HG2 LYS 27 HG2 LYS 27 14.145 -5.854 -3.897 213 HG3 LYS 27 HG3 LYS 27 13.021 -5.695 -2.539 214 HD2 LYS 27 HD2 LYS 27 13.584 -3.337 -2.334 215 HD3 LYS 27 HD3 LYS 27 14.730 -3.483 -3.663 216 HE2 LYS 27 HE2 LYS 27 12.948 -3.947 -5.211 217 HE3 LYS 27 HE3 LYS 27 11.770 -3.996 -3.895 218 HZ1 LYS 27 HZ1 LYS 27 13.383 -1.621 -4.659 219 HZ2 LYS 27 HZ2 LYS 27 12.200 -1.680 -3.444 220 HZ3 LYS 27 HZ3 LYS 27 11.755 -1.862 -5.073 221 H LYS 28 H LYS 28 15.819 -6.389 0.789 222 HA LYS 28 HA LYS 28 18.564 -5.931 0.762 223 HB2 LYS 28 HB2 LYS 28 16.815 -6.876 3.034 224 HB3 LYS 28 HB3 LYS 28 18.476 -6.344 3.233 225 HG2 LYS 28 HG2 LYS 28 17.828 -4.134 2.312 226 HG3 LYS 28 HG3 LYS 28 16.153 -4.685 2.281 227 HD2 LYS 28 HD2 LYS 28 17.890 -4.539 4.746 228 HD3 LYS 28 HD3 LYS 28 16.670 -3.350 4.292 229 HE2 LYS 28 HE2 LYS 28 14.919 -4.983 4.505 230 HE3 LYS 28 HE3 LYS 28 16.091 -6.270 4.765 231 HZ1 LYS 28 HZ1 LYS 28 16.729 -5.242 6.845 232 HZ2 LYS 28 HZ2 LYS 28 15.059 -5.542 6.832 233 HZ3 LYS 28 HZ3 LYS 28 15.637 -3.966 6.592 234 H LYS 29 H LYS 29 16.812 -8.937 1.152 235 HA LYS 29 HA LYS 29 19.284 -10.385 1.715 236 HB2 LYS 29 HB2 LYS 29 16.415 -11.338 1.617 237 HB3 LYS 29 HB3 LYS 29 17.794 -12.302 2.131 238 HG2 LYS 29 HG2 LYS 29 18.171 -10.870 4.017 239 HG3 LYS 29 HG3 LYS 29 16.924 -9.751 3.466 240 HD2 LYS 29 HD2 LYS 29 15.223 -11.469 3.792 241 HD3 LYS 29 HD3 LYS 29 16.465 -12.616 4.302 242 HE2 LYS 29 HE2 LYS 29 17.018 -11.186 6.198 243 HE3 LYS 29 HE3 LYS 29 15.808 -10.015 5.677 244 HZ1 LYS 29 HZ1 LYS 29 15.241 -12.814 6.508 245 HZ2 LYS 29 HZ2 LYS 29 14.089 -11.654 6.057 246 HZ3 LYS 29 HZ3 LYS 29 15.001 -11.435 7.467 247 H HIS 30 H HIS 30 17.061 -9.773 -0.835 248 HA HIS 30 HA HIS 30 18.632 -11.441 -2.656 249 HB2 HIS 30 HB2 HIS 30 15.634 -11.547 -2.325 250 HB3 HIS 30 HB3 HIS 30 16.416 -12.036 -3.820 251 HD1 HIS 30 HD1 HIS 30 17.511 -14.327 -3.873 252 HD2 HIS 30 HD2 HIS 30 16.125 -13.252 -0.104 253 HE1 HIS 30 HE1 HIS 30 17.584 -16.432 -2.501 254 HE2 HIS 30 HE2 HIS 30 16.893 -15.724 -0.181 255 HA PRO 31 HA PRO 31 18.173 -7.208 -4.366 256 HB2 PRO 31 HB2 PRO 31 20.478 -8.150 -5.965 257 HB3 PRO 31 HB3 PRO 31 20.310 -6.688 -4.990 258 HG2 PRO 31 HG2 PRO 31 21.854 -8.703 -4.166 259 HG3 PRO 31 HG3 PRO 31 20.867 -7.773 -3.017 260 HD2 PRO 31 HD2 PRO 31 20.337 -10.472 -4.216 261 HD3 PRO 31 HD3 PRO 31 20.129 -9.926 -2.537 262 H ASP 32 H ASP 32 18.142 -10.342 -5.688 263 HA ASP 32 HA ASP 32 17.315 -9.488 -8.357 264 HB2 ASP 32 HB2 ASP 32 17.409 -11.910 -8.876 265 HB3 ASP 32 HB3 ASP 32 18.925 -11.318 -8.201 266 H ALA 33 H ALA 33 15.723 -9.368 -5.685 267 HA ALA 33 HA ALA 33 13.652 -11.311 -5.950 268 HB1 ALA 33 HB1 ALA 33 12.583 -10.195 -4.105 269 HB2 ALA 33 HB2 ALA 33 13.659 -8.810 -4.283 270 HB3 ALA 33 HB3 ALA 33 14.309 -10.372 -3.784 271 H SER 34 H SER 34 12.859 -11.006 -8.076 272 HA SER 34 HA SER 34 11.071 -8.711 -8.378 273 HB2 SER 34 HB2 SER 34 11.772 -10.973 -10.269 274 HB3 SER 34 HB3 SER 34 10.584 -9.720 -10.630 275 HG SER 34 HG SER 34 13.378 -9.400 -10.189 276 H VAL 35 H VAL 35 9.449 -9.073 -6.921 277 HA VAL 35 HA VAL 35 8.376 -11.717 -6.542 278 HB VAL 35 HB VAL 35 7.063 -10.862 -4.800 279 HG11 VAL 35 HG11 VAL 35 9.547 -9.156 -4.882 280 HG12 VAL 35 HG12 VAL 35 9.420 -10.791 -4.235 281 HG13 VAL 35 HG13 VAL 35 8.563 -9.462 -3.451 282 HG21 VAL 35 HG21 VAL 35 5.949 -9.077 -5.986 283 HG22 VAL 35 HG22 VAL 35 7.424 -8.109 -5.970 284 HG23 VAL 35 HG23 VAL 35 6.594 -8.476 -4.457 285 H ASN 36 H ASN 36 6.204 -12.343 -6.929 286 HA ASN 36 HA ASN 36 4.996 -11.096 -9.253 287 HB2 ASN 36 HB2 ASN 36 4.327 -13.524 -7.598 288 HB3 ASN 36 HB3 ASN 36 3.184 -12.891 -8.773 289 HD21 ASN 36 HD21 ASN 36 6.630 -12.747 -9.312 290 HD22 ASN 36 HD22 ASN 36 6.677 -13.946 -10.563 291 H PHE 37 H PHE 37 3.622 -9.449 -9.111 292 HA PHE 37 HA PHE 37 2.800 -8.258 -6.732 293 HB2 PHE 37 HB2 PHE 37 1.622 -8.107 -9.510 294 HB3 PHE 37 HB3 PHE 37 1.050 -7.115 -8.177 295 HD1 PHE 37 HD2 PHE 37 3.998 -7.853 -10.289 296 HD2 PHE 37 HD1 PHE 37 2.170 -5.165 -7.543 297 HE1 PHE 37 HE2 PHE 37 5.719 -6.171 -10.793 298 HE2 PHE 37 HE1 PHE 37 3.887 -3.478 -8.045 299 HZ PHE 37 HZ PHE 37 5.664 -3.980 -9.669 300 H SER 38 H SER 38 1.055 -10.479 -8.857 301 HA SER 38 HA SER 38 -1.377 -10.535 -7.481 302 HB2 SER 38 HB2 SER 38 -1.563 -12.836 -8.625 303 HB3 SER 38 HB3 SER 38 -1.355 -11.426 -9.664 304 HG SER 38 HG SER 38 0.046 -13.189 -10.213 305 H GLU 39 H GLU 39 1.262 -12.910 -7.379 306 HA GLU 39 HA GLU 39 0.268 -14.552 -5.383 307 HB2 GLU 39 HB2 GLU 39 3.117 -13.889 -6.123 308 HB3 GLU 39 HB3 GLU 39 2.675 -15.182 -5.017 309 HG2 GLU 39 HG2 GLU 39 1.666 -15.019 -7.838 310 HG3 GLU 39 HG3 GLU 39 3.147 -15.861 -7.386 311 H PHE 40 H PHE 40 2.386 -11.731 -5.062 312 HA PHE 40 HA PHE 40 2.886 -12.190 -2.306 313 HB2 PHE 40 HB2 PHE 40 4.393 -10.968 -3.913 314 HB3 PHE 40 HB3 PHE 40 3.283 -9.604 -3.805 315 HD1 PHE 40 HD2 PHE 40 5.095 -11.923 -1.519 316 HD2 PHE 40 HD1 PHE 40 3.833 -7.945 -2.325 317 HE1 PHE 40 HE2 PHE 40 6.263 -11.152 0.502 318 HE2 PHE 40 HE1 PHE 40 4.995 -7.166 -0.302 319 HZ PHE 40 HZ PHE 40 6.213 -8.771 1.110 320 H SER 41 H SER 41 0.892 -9.750 -3.996 321 HA SER 41 HA SER 41 -0.027 -8.512 -1.635 322 HB2 SER 41 HB2 SER 41 -0.106 -7.551 -3.979 323 HB3 SER 41 HB3 SER 41 -1.494 -8.598 -4.276 324 HG SER 41 HG SER 41 -1.352 -6.231 -2.949 325 H LYS 42 H LYS 42 -1.236 -11.199 -3.548 326 HA LYS 42 HA LYS 42 -3.780 -11.476 -2.463 327 HB2 LYS 42 HB2 LYS 42 -3.105 -12.693 -4.425 328 HB3 LYS 42 HB3 LYS 42 -1.858 -13.543 -3.530 329 HG2 LYS 42 HG2 LYS 42 -3.556 -14.708 -2.242 330 HG3 LYS 42 HG3 LYS 42 -4.823 -13.832 -3.105 331 HD2 LYS 42 HD2 LYS 42 -4.419 -16.127 -3.985 332 HD3 LYS 42 HD3 LYS 42 -4.181 -14.859 -5.189 333 HE2 LYS 42 HE2 LYS 42 -1.747 -14.964 -4.767 334 HE3 LYS 42 HE3 LYS 42 -2.024 -16.280 -3.630 335 HZ1 LYS 42 HZ1 LYS 42 -1.335 -16.928 -5.944 336 HZ2 LYS 42 HZ2 LYS 42 -2.871 -16.426 -6.465 337 HZ3 LYS 42 HZ3 LYS 42 -2.727 -17.694 -5.345 338 H LYS 43 H LYS 43 -0.752 -13.053 -1.409 339 HA LYS 43 HA LYS 43 -2.045 -14.385 0.753 340 HB2 LYS 43 HB2 LYS 43 0.207 -15.025 1.473 341 HB3 LYS 43 HB3 LYS 43 -0.032 -15.323 -0.240 342 HG2 LYS 43 HG2 LYS 43 1.210 -13.277 -0.765 343 HG3 LYS 43 HG3 LYS 43 1.462 -12.998 0.960 344 HD2 LYS 43 HD2 LYS 43 3.427 -14.037 -0.045 345 HD3 LYS 43 HD3 LYS 43 2.670 -15.127 1.119 346 HE2 LYS 43 HE2 LYS 43 1.508 -16.241 -0.771 347 HE3 LYS 43 HE3 LYS 43 2.415 -15.219 -1.882 348 HZ1 LYS 43 HZ1 LYS 43 4.459 -16.182 -1.086 349 HZ2 LYS 43 HZ2 LYS 43 3.414 -17.414 -1.601 350 HZ3 LYS 43 HZ3 LYS 43 3.621 -17.125 0.053 351 H CYS 44 H CYS 44 -0.258 -11.364 0.458 352 HA CYS 44 HA CYS 44 0.074 -10.965 3.246 353 HB2 CYS 44 HB2 CYS 44 0.124 -8.978 0.971 354 HB3 CYS 44 HB3 CYS 44 0.637 -8.636 2.622 355 HG CYS 44 HG CYS 44 2.182 -10.469 0.233 356 H SER 45 H SER 45 -2.410 -9.943 0.934 357 HA SER 45 HA SER 45 -3.754 -8.195 2.691 358 HB2 SER 45 HB2 SER 45 -5.705 -8.515 1.135 359 HB3 SER 45 HB3 SER 45 -4.203 -8.055 0.332 360 HG SER 45 HG SER 45 -4.014 -10.030 -0.507 361 H GLU 46 H GLU 46 -4.334 -11.618 1.898 362 HA GLU 46 HA GLU 46 -6.511 -11.950 3.667 363 HB2 GLU 46 HB2 GLU 46 -4.575 -14.055 2.683 364 HB3 GLU 46 HB3 GLU 46 -6.181 -14.341 3.340 365 HG2 GLU 46 HG2 GLU 46 -7.104 -12.997 1.453 366 HG3 GLU 46 HG3 GLU 46 -5.483 -12.966 0.763 367 H ARG 47 H ARG 47 -3.023 -12.361 4.062 368 HA ARG 47 HA ARG 47 -3.076 -13.451 6.654 369 HB2 ARG 47 HB2 ARG 47 -1.028 -13.421 5.317 370 HB3 ARG 47 HB3 ARG 47 -0.985 -11.663 5.398 371 HG2 ARG 47 HG2 ARG 47 -0.756 -11.815 7.850 372 HG3 ARG 47 HG3 ARG 47 -0.702 -13.572 7.708 373 HD2 ARG 47 HD2 ARG 47 1.303 -13.388 6.313 374 HD3 ARG 47 HD3 ARG 47 1.253 -11.633 6.478 375 HE ARG 47 HE ARG 47 1.308 -13.023 8.989 376 HH11 ARG 47 HH11 ARG 47 3.256 -11.712 6.396 377 HH12 ARG 47 HH12 ARG 47 4.677 -11.566 7.380 378 HH21 ARG 47 HH21 ARG 47 3.180 -12.831 10.285 379 HH22 ARG 47 HH22 ARG 47 4.638 -12.182 9.584 380 H TRP 48 H TRP 48 -2.894 -10.085 5.538 381 HA TRP 48 HA TRP 48 -2.679 -8.843 8.015 382 HB2 TRP 48 HB2 TRP 48 -2.359 -7.535 6.032 383 HB3 TRP 48 HB3 TRP 48 -3.985 -7.896 5.458 384 HD1 TRP 48 HD1 TRP 48 -5.947 -6.393 6.318 385 HE1 TRP 48 HE1 TRP 48 -6.067 -4.287 7.801 386 HE3 TRP 48 HE3 TRP 48 -1.143 -6.351 8.076 387 HZ2 TRP 48 HZ2 TRP 48 -4.369 -2.834 9.504 388 HZ3 TRP 48 HZ3 TRP 48 -0.470 -4.559 9.620 389 HH2 TRP 48 HH2 TRP 48 -2.047 -2.830 10.311 390 H LYS 49 H LYS 49 -5.579 -9.857 6.256 391 HA LYS 49 HA LYS 49 -7.438 -8.676 8.036 392 HB2 LYS 49 HB2 LYS 49 -7.869 -11.082 6.262 393 HB3 LYS 49 HB3 LYS 49 -9.112 -10.027 6.917 394 HG2 LYS 49 HG2 LYS 49 -8.199 -8.169 5.580 395 HG3 LYS 49 HG3 LYS 49 -7.017 -9.283 4.888 396 HD2 LYS 49 HD2 LYS 49 -8.930 -10.687 4.093 397 HD3 LYS 49 HD3 LYS 49 -10.017 -9.401 4.620 398 HE2 LYS 49 HE2 LYS 49 -8.860 -7.836 3.117 399 HE3 LYS 49 HE3 LYS 49 -7.820 -9.150 2.570 400 HZ1 LYS 49 HZ1 LYS 49 -9.891 -10.318 1.857 401 HZ2 LYS 49 HZ2 LYS 49 -9.547 -8.902 0.992 402 HZ3 LYS 49 HZ3 LYS 49 -10.751 -8.890 2.184 403 H THR 50 H THR 50 -5.655 -11.637 8.097 404 HA THR 50 HA THR 50 -7.296 -12.664 10.307 405 HB THR 50 HB THR 50 -6.227 -14.846 9.820 406 HG1 THR 50 HG1 THR 50 -5.296 -13.750 7.381 407 HG21 THR 50 HG21 THR 50 -8.396 -14.277 8.819 408 HG22 THR 50 HG22 THR 50 -7.443 -15.315 7.760 409 HG23 THR 50 HG23 THR 50 -7.566 -13.587 7.423 410 H MET 51 H MET 51 -5.005 -10.633 10.327 411 HA MET 51 HA MET 51 -2.993 -12.149 11.815 412 HB2 MET 51 HB2 MET 51 -2.383 -10.650 9.848 413 HB3 MET 51 HB3 MET 51 -2.756 -9.293 10.901 414 HG2 MET 51 HG2 MET 51 -1.027 -9.933 12.431 415 HG3 MET 51 HG3 MET 51 -0.721 -11.413 11.523 416 HE1 MET 51 HE1 MET 51 -1.437 -7.785 10.135 417 HE2 MET 51 HE2 MET 51 0.206 -7.168 9.972 418 HE3 MET 51 HE3 MET 51 -0.450 -7.514 11.571 419 H SER 52 H SER 52 -2.250 -11.497 13.837 420 HA SER 52 HA SER 52 -4.250 -10.587 15.610 421 HB2 SER 52 HB2 SER 52 -1.276 -10.808 16.132 422 HB3 SER 52 HB3 SER 52 -2.570 -10.854 17.328 423 HG SER 52 HG SER 52 -1.773 -12.948 16.769 424 H ALA 53 H ALA 53 -4.402 -8.685 16.818 425 HA ALA 53 HA ALA 53 -3.786 -6.275 15.529 426 HB1 ALA 53 HB1 ALA 53 -4.572 -5.178 17.560 427 HB2 ALA 53 HB2 ALA 53 -4.468 -6.704 18.435 428 HB3 ALA 53 HB3 ALA 53 -5.630 -6.522 17.123 429 H LYS 54 H LYS 54 -2.050 -8.107 17.954 430 HA LYS 54 HA LYS 54 -0.169 -6.242 18.801 431 HB2 LYS 54 HB2 LYS 54 0.148 -9.202 18.285 432 HB3 LYS 54 HB3 LYS 54 1.346 -8.220 19.113 433 HG2 LYS 54 HG2 LYS 54 -0.184 -7.775 20.909 434 HG3 LYS 54 HG3 LYS 54 -1.492 -8.589 20.046 435 HD2 LYS 54 HD2 LYS 54 -0.314 -10.698 20.183 436 HD3 LYS 54 HD3 LYS 54 1.070 -9.908 20.942 437 HE2 LYS 54 HE2 LYS 54 -0.236 -9.385 22.889 438 HE3 LYS 54 HE3 LYS 54 -1.707 -9.976 22.115 439 HZ1 LYS 54 HZ1 LYS 54 -0.842 -12.187 22.128 440 HZ2 LYS 54 HZ2 LYS 54 -0.712 -11.566 23.699 441 HZ3 LYS 54 HZ3 LYS 54 0.660 -11.668 22.713 442 H GLU 55 H GLU 55 -0.109 -8.364 15.971 443 HA GLU 55 HA GLU 55 2.459 -7.475 15.098 444 HB2 GLU 55 HB2 GLU 55 0.348 -8.972 13.532 445 HB3 GLU 55 HB3 GLU 55 2.066 -8.882 13.163 446 HG2 GLU 55 HG2 GLU 55 2.558 -10.057 15.266 447 HG3 GLU 55 HG3 GLU 55 0.832 -10.195 15.576 448 H LYS 56 H LYS 56 -0.889 -6.744 14.274 449 HA LYS 56 HA LYS 56 -0.484 -4.993 12.138 450 HB2 LYS 56 HB2 LYS 56 -2.555 -4.983 14.334 451 HB3 LYS 56 HB3 LYS 56 -2.612 -3.888 12.963 452 HG2 LYS 56 HG2 LYS 56 -2.902 -5.694 11.435 453 HG3 LYS 56 HG3 LYS 56 -2.589 -6.888 12.700 454 HD2 LYS 56 HD2 LYS 56 -4.614 -6.293 13.842 455 HD3 LYS 56 HD3 LYS 56 -4.885 -4.934 12.751 456 HE2 LYS 56 HE2 LYS 56 -4.760 -7.785 11.802 457 HE3 LYS 56 HE3 LYS 56 -6.252 -7.020 12.329 458 HZ1 LYS 56 HZ1 LYS 56 -4.552 -6.216 10.051 459 HZ2 LYS 56 HZ2 LYS 56 -5.832 -5.277 10.642 460 HZ3 LYS 56 HZ3 LYS 56 -6.137 -6.817 9.996 461 H GLY 57 H GLY 57 -0.388 -4.429 15.623 462 HA2 GLY 57 HA2 GLY 57 -0.067 -1.652 15.600 463 HA3 GLY 57 HA3 GLY 57 0.499 -2.726 16.873 464 H LYS 58 H LYS 58 2.332 -4.225 15.263 465 HA LYS 58 HA LYS 58 4.606 -2.572 15.467 466 HB2 LYS 58 HB2 LYS 58 4.842 -4.962 15.693 467 HB3 LYS 58 HB3 LYS 58 4.219 -5.221 14.066 468 HG2 LYS 58 HG2 LYS 58 6.174 -4.111 13.127 469 HG3 LYS 58 HG3 LYS 58 6.794 -3.815 14.751 470 HD2 LYS 58 HD2 LYS 58 7.043 -6.177 15.139 471 HD3 LYS 58 HD3 LYS 58 6.255 -6.551 13.602 472 HE2 LYS 58 HE2 LYS 58 8.059 -5.508 12.381 473 HE3 LYS 58 HE3 LYS 58 8.831 -5.010 13.885 474 HZ1 LYS 58 HZ1 LYS 58 9.869 -6.976 12.944 475 HZ2 LYS 58 HZ2 LYS 58 8.396 -7.817 13.017 476 HZ3 LYS 58 HZ3 LYS 58 9.168 -7.329 14.447 477 H PHE 59 H PHE 59 2.769 -3.682 12.621 478 HA PHE 59 HA PHE 59 4.472 -2.364 10.767 479 HB2 PHE 59 HB2 PHE 59 1.638 -3.366 10.441 480 HB3 PHE 59 HB3 PHE 59 2.666 -2.806 9.121 481 HD1 PHE 59 HD2 PHE 59 5.014 -3.972 8.983 482 HD2 PHE 59 HD1 PHE 59 1.609 -5.618 10.928 483 HE1 PHE 59 HE2 PHE 59 6.002 -6.216 8.794 484 HE2 PHE 59 HE1 PHE 59 2.586 -7.869 10.739 485 HZ PHE 59 HZ PHE 59 4.785 -8.168 9.671 486 H GLU 60 H GLU 60 1.626 -1.402 12.548 487 HA GLU 60 HA GLU 60 1.223 1.084 11.246 488 HB2 GLU 60 HB2 GLU 60 -0.503 0.135 12.672 489 HB3 GLU 60 HB3 GLU 60 0.573 0.194 14.064 490 HG2 GLU 60 HG2 GLU 60 0.612 2.652 13.891 491 HG3 GLU 60 HG3 GLU 60 -0.537 2.550 12.558 492 H ASP 61 H ASP 61 3.087 0.071 14.065 493 HA ASP 61 HA ASP 61 4.002 2.570 14.908 494 HB2 ASP 61 HB2 ASP 61 4.199 0.504 16.243 495 HB3 ASP 61 HB3 ASP 61 5.408 -0.105 15.118 496 H MET 62 H MET 62 5.343 0.314 12.536 497 HA MET 62 HA MET 62 7.702 1.846 12.082 498 HB2 MET 62 HB2 MET 62 6.409 -0.278 10.368 499 HB3 MET 62 HB3 MET 62 8.013 0.398 10.095 500 HG2 MET 62 HG2 MET 62 8.633 -0.406 12.389 501 HG3 MET 62 HG3 MET 62 7.092 -1.257 12.432 502 HE1 MET 62 HE1 MET 62 6.415 -3.075 10.533 503 HE2 MET 62 HE2 MET 62 7.556 -3.705 9.345 504 HE3 MET 62 HE3 MET 62 6.979 -2.043 9.217 505 H ALA 63 H ALA 63 4.485 1.839 10.691 506 HA ALA 63 HA ALA 63 5.090 3.582 8.515 507 HB1 ALA 63 HB1 ALA 63 2.456 3.100 9.910 508 HB2 ALA 63 HB2 ALA 63 3.069 2.209 8.518 509 HB3 ALA 63 HB3 ALA 63 2.668 3.918 8.363 510 H LYS 64 H LYS 64 4.091 4.020 11.844 511 HA LYS 64 HA LYS 64 3.857 6.852 11.751 512 HB2 LYS 64 HB2 LYS 64 4.353 4.937 14.039 513 HB3 LYS 64 HB3 LYS 64 4.071 6.663 14.249 514 HG2 LYS 64 HG2 LYS 64 1.857 6.515 13.602 515 HG3 LYS 64 HG3 LYS 64 2.100 4.995 12.743 516 HD2 LYS 64 HD2 LYS 64 0.832 4.691 14.828 517 HD3 LYS 64 HD3 LYS 64 2.361 3.814 14.847 518 HE2 LYS 64 HE2 LYS 64 3.369 5.551 16.207 519 HE3 LYS 64 HE3 LYS 64 1.886 6.500 16.132 520 HZ1 LYS 64 HZ1 LYS 64 0.735 4.821 17.366 521 HZ2 LYS 64 HZ2 LYS 64 2.145 5.231 18.212 522 HZ3 LYS 64 HZ3 LYS 64 2.078 3.789 17.332 523 H ALA 65 H ALA 65 6.491 4.616 12.444 524 HA ALA 65 HA ALA 65 8.454 6.512 13.125 525 HB1 ALA 65 HB1 ALA 65 8.814 3.860 11.733 526 HB2 ALA 65 HB2 ALA 65 8.716 4.099 13.476 527 HB3 ALA 65 HB3 ALA 65 10.068 4.780 12.569 528 H ASP 66 H ASP 66 7.308 5.266 10.031 529 HA ASP 66 HA ASP 66 9.118 6.531 8.325 530 HB2 ASP 66 HB2 ASP 66 7.584 4.967 7.360 531 HB3 ASP 66 HB3 ASP 66 6.192 5.881 7.943 532 H LYS 67 H LYS 67 6.101 7.711 9.743 533 HA LYS 67 HA LYS 67 5.784 10.122 8.498 534 HB2 LYS 67 HB2 LYS 67 4.238 9.218 10.174 535 HB3 LYS 67 HB3 LYS 67 5.409 9.544 11.443 536 HG2 LYS 67 HG2 LYS 67 3.644 11.213 11.404 537 HG3 LYS 67 HG3 LYS 67 5.208 11.935 11.025 538 HD2 LYS 67 HD2 LYS 67 4.684 12.066 8.713 539 HD3 LYS 67 HD3 LYS 67 3.254 11.051 8.915 540 HE2 LYS 67 HE2 LYS 67 2.789 13.501 8.662 541 HE3 LYS 67 HE3 LYS 67 2.107 12.755 10.105 542 HZ1 LYS 67 HZ1 LYS 67 3.823 13.701 11.436 543 HZ2 LYS 67 HZ2 LYS 67 3.168 14.947 10.491 544 HZ3 LYS 67 HZ3 LYS 67 4.668 14.264 10.077 545 H ALA 68 H ALA 68 7.787 9.531 11.383 546 HA ALA 68 HA ALA 68 8.816 12.213 11.379 547 HB1 ALA 68 HB1 ALA 68 8.582 10.931 13.453 548 HB2 ALA 68 HB2 ALA 68 10.240 11.475 13.200 549 HB3 ALA 68 HB3 ALA 68 9.808 9.796 12.883 550 H ARG 69 H ARG 69 10.125 9.036 10.416 551 HA ARG 69 HA ARG 69 12.756 9.890 9.903 552 HB2 ARG 69 HB2 ARG 69 12.002 7.496 10.057 553 HB3 ARG 69 HB3 ARG 69 11.284 7.675 8.461 554 HG2 ARG 69 HG2 ARG 69 13.846 8.548 8.048 555 HG3 ARG 69 HG3 ARG 69 14.067 7.258 9.231 556 HD2 ARG 69 HD2 ARG 69 14.200 6.161 7.179 557 HD3 ARG 69 HD3 ARG 69 12.543 5.867 7.706 558 HE ARG 69 HE ARG 69 13.375 7.757 5.600 559 HH11 ARG 69 HH11 ARG 69 10.889 5.873 7.187 560 HH12 ARG 69 HH12 ARG 69 9.673 6.222 5.990 561 HH21 ARG 69 HH21 ARG 69 11.807 8.180 3.997 562 HH22 ARG 69 HH22 ARG 69 10.210 7.501 4.170 563 H TYR 70 H TYR 70 9.921 9.641 7.834 564 HA TYR 70 HA TYR 70 11.092 10.382 5.415 565 HB2 TYR 70 HB2 TYR 70 8.901 9.318 5.579 566 HB3 TYR 70 HB3 TYR 70 8.263 10.718 6.427 567 HD1 TYR 70 HD1 TYR 70 9.318 9.387 3.191 568 HD2 TYR 70 HD2 TYR 70 7.676 12.719 5.246 569 HE1 TYR 70 HE1 TYR 70 8.602 10.340 1.053 570 HE2 TYR 70 HE2 TYR 70 6.956 13.690 3.120 571 HH TYR 70 HH TYR 70 7.339 13.586 0.806 572 H GLU 71 H GLU 71 9.712 12.282 8.050 573 HA GLU 71 HA GLU 71 9.787 14.747 6.654 574 HB2 GLU 71 HB2 GLU 71 9.428 13.933 9.505 575 HB3 GLU 71 HB3 GLU 71 9.641 15.623 9.097 576 HG2 GLU 71 HG2 GLU 71 7.726 15.470 7.556 577 HG3 GLU 71 HG3 GLU 71 7.495 13.797 8.058 578 H ARG 72 H ARG 72 12.030 13.126 8.880 579 HA ARG 72 HA ARG 72 13.979 15.187 8.921 580 HB2 ARG 72 HB2 ARG 72 14.580 12.228 9.039 581 HB3 ARG 72 HB3 ARG 72 15.516 13.540 9.734 582 HG2 ARG 72 HG2 ARG 72 13.677 13.977 11.314 583 HG3 ARG 72 HG3 ARG 72 12.809 12.595 10.642 584 HD2 ARG 72 HD2 ARG 72 13.871 11.750 12.550 585 HD3 ARG 72 HD3 ARG 72 14.887 11.230 11.203 586 HE ARG 72 HE ARG 72 15.522 13.621 12.809 587 HH11 ARG 72 HH11 ARG 72 16.482 10.593 11.305 588 HH12 ARG 72 HH12 ARG 72 18.123 10.692 11.868 589 HH21 ARG 72 HH21 ARG 72 17.683 13.769 13.501 590 HH22 ARG 72 HH22 ARG 72 18.807 12.504 13.103 591 H GLU 73 H GLU 73 13.353 12.462 6.835 592 HA GLU 73 HA GLU 73 15.594 12.623 5.151 593 HB2 GLU 73 HB2 GLU 73 13.800 10.788 5.497 594 HB3 GLU 73 HB3 GLU 73 12.867 11.673 4.305 595 HG2 GLU 73 HG2 GLU 73 14.322 11.155 2.594 596 HG3 GLU 73 HG3 GLU 73 15.656 10.798 3.695 597 H MET 74 H MET 74 12.383 14.096 4.993 598 HA MET 74 HA MET 74 12.627 15.353 2.495 599 HB2 MET 74 HB2 MET 74 10.997 16.024 4.932 600 HB3 MET 74 HB3 MET 74 10.905 16.971 3.457 601 HG2 MET 74 HG2 MET 74 10.358 14.020 3.551 602 HG3 MET 74 HG3 MET 74 9.115 15.242 3.798 603 HE1 MET 74 HE1 MET 74 10.967 13.895 -0.138 604 HE2 MET 74 HE2 MET 74 11.104 13.146 1.453 605 HE3 MET 74 HE3 MET 74 12.079 14.559 1.055 606 H LYS 75 H LYS 75 13.923 16.182 5.604 607 HA LYS 75 HA LYS 75 14.389 18.938 5.025 608 HB2 LYS 75 HB2 LYS 75 15.757 17.153 7.049 609 HB3 LYS 75 HB3 LYS 75 15.842 18.908 7.006 610 HG2 LYS 75 HG2 LYS 75 13.367 17.263 7.491 611 HG3 LYS 75 HG3 LYS 75 14.284 18.154 8.705 612 HD2 LYS 75 HD2 LYS 75 13.773 20.251 7.537 613 HD3 LYS 75 HD3 LYS 75 12.838 19.350 6.342 614 HE2 LYS 75 HE2 LYS 75 12.256 19.487 9.300 615 HE3 LYS 75 HE3 LYS 75 11.402 20.384 8.046 616 HZ1 LYS 75 HZ1 LYS 75 10.170 18.418 8.690 617 HZ2 LYS 75 HZ2 LYS 75 11.490 17.426 8.308 618 HZ3 LYS 75 HZ3 LYS 75 10.691 18.279 7.081 619 H THR 76 H THR 76 15.871 16.081 3.966 620 HA THR 76 HA THR 76 18.311 17.559 3.244 621 HB THR 76 HB THR 76 19.398 15.365 2.934 622 HG1 THR 76 HG1 THR 76 16.836 14.475 3.352 623 HG21 THR 76 HG21 THR 76 19.591 14.802 5.320 624 HG22 THR 76 HG22 THR 76 18.187 15.814 5.659 625 HG23 THR 76 HG23 THR 76 19.670 16.540 5.041 626 H TYR 77 H TYR 77 15.500 16.106 1.995 627 HA TYR 77 HA TYR 77 16.691 15.784 -0.653 628 HB2 TYR 77 HB2 TYR 77 15.363 13.900 0.000 629 HB3 TYR 77 HB3 TYR 77 14.018 14.937 0.471 630 HD1 TYR 77 HD1 TYR 77 16.038 13.974 -2.527 631 HD2 TYR 77 HD2 TYR 77 12.307 15.367 -1.034 632 HE1 TYR 77 HE1 TYR 77 15.077 13.813 -4.788 633 HE2 TYR 77 HE2 TYR 77 11.338 15.206 -3.284 634 HH TYR 77 HH TYR 77 12.789 13.564 -5.830 635 H ILE 78 H ILE 78 16.658 17.452 -1.959 636 HA ILE 78 HA ILE 78 14.426 19.360 -1.753 637 HB ILE 78 HB ILE 78 17.222 19.832 -2.816 638 HG12 ILE 78 HG12 ILE 78 17.147 21.612 -0.925 639 HG13 ILE 78 HG13 ILE 78 15.816 20.659 -0.283 640 HG21 ILE 78 HG21 ILE 78 15.591 21.079 -4.111 641 HG22 ILE 78 HG22 ILE 78 16.532 22.172 -3.095 642 HG23 ILE 78 HG23 ILE 78 14.888 21.732 -2.631 643 HD11 ILE 78 HD11 ILE 78 17.905 20.086 0.804 644 HD12 ILE 78 HD12 ILE 78 18.624 19.682 -0.754 645 HD13 ILE 78 HD13 ILE 78 17.295 18.714 -0.120 646 HA PRO 79 HA PRO 79 13.335 17.445 -5.676 647 HB2 PRO 79 HB2 PRO 79 11.081 19.324 -5.561 648 HB3 PRO 79 HB3 PRO 79 11.064 17.559 -5.581 649 HG2 PRO 79 HG2 PRO 79 10.412 18.972 -3.379 650 HG3 PRO 79 HG3 PRO 79 11.224 17.398 -3.287 651 HD2 PRO 79 HD2 PRO 79 12.371 20.148 -3.001 652 HD3 PRO 79 HD3 PRO 79 12.728 18.676 -2.073 653 HA PRO 80 HA PRO 80 14.985 20.600 -8.322 654 HB2 PRO 80 HB2 PRO 80 14.572 19.365 -10.700 655 HB3 PRO 80 HB3 PRO 80 15.839 18.872 -9.573 656 HG2 PRO 80 HG2 PRO 80 13.143 17.668 -10.031 657 HG3 PRO 80 HG3 PRO 80 14.701 16.862 -9.780 658 HD2 PRO 80 HD2 PRO 80 12.841 17.150 -7.817 659 HD3 PRO 80 HD3 PRO 80 14.584 17.079 -7.496 660 H LYS 81 H LYS 81 13.783 22.382 -8.367 661 HA LYS 81 HA LYS 81 12.383 23.987 -9.082 662 HB2 LYS 81 HB2 LYS 81 13.180 23.188 -11.291 663 HB3 LYS 81 HB3 LYS 81 11.773 22.139 -11.382 664 HG2 LYS 81 HG2 LYS 81 11.390 24.153 -12.664 665 HG3 LYS 81 HG3 LYS 81 10.311 24.114 -11.266 666 HD2 LYS 81 HD2 LYS 81 11.923 25.567 -10.056 667 HD3 LYS 81 HD3 LYS 81 12.866 25.687 -11.543 668 HE2 LYS 81 HE2 LYS 81 10.897 26.655 -12.675 669 HE3 LYS 81 HE3 LYS 81 10.021 26.598 -11.145 670 HZ1 LYS 81 HZ1 LYS 81 10.892 28.786 -11.449 671 HZ2 LYS 81 HZ2 LYS 81 12.450 28.186 -11.751 672 HZ3 LYS 81 HZ3 LYS 81 11.776 28.045 -10.203 673 H GLY 82 H GLY 82 10.498 24.605 -8.307 674 HA2 GLY 82 HA2 GLY 82 8.325 22.611 -8.149 675 HA3 GLY 82 HA3 GLY 82 8.484 24.015 -7.096 676 H GLU 83 H GLU 83 7.817 26.010 -7.787 677 HA GLU 83 HA GLU 83 6.871 26.280 -10.544 678 HB2 GLU 83 HB2 GLU 83 4.797 27.429 -9.706 679 HB3 GLU 83 HB3 GLU 83 4.844 25.692 -9.437 680 HG2 GLU 83 HG2 GLU 83 5.487 26.070 -7.112 681 HG3 GLU 83 HG3 GLU 83 5.442 27.814 -7.383 682 H LEU 14 H LEU 14 -13.555 -22.457 -39.508 683 HA LEU 14 HA LEU 14 -11.163 -23.755 -38.978 684 HB2 LEU 14 HB2 LEU 14 -12.558 -22.774 -36.486 685 HB3 LEU 14 HB3 LEU 14 -11.375 -24.065 -36.495 686 HG LEU 14 HG LEU 14 -9.744 -22.365 -37.481 687 HD11 LEU 14 HD11 LEU 14 -11.827 -20.443 -36.458 688 HD12 LEU 14 HD12 LEU 14 -11.395 -20.689 -38.150 689 HD13 LEU 14 HD13 LEU 14 -10.210 -20.023 -37.024 690 HD21 LEU 14 HD21 LEU 14 -10.795 -21.948 -34.689 691 HD22 LEU 14 HD22 LEU 14 -9.206 -21.463 -35.281 692 HD23 LEU 14 HD23 LEU 14 -9.630 -23.174 -35.185 693 H SER 15 H SER 15 -11.929 -25.589 -39.853 694 HA SER 15 HA SER 15 -14.572 -26.558 -39.288 695 HB2 SER 15 HB2 SER 15 -13.469 -26.966 -41.472 696 HB3 SER 15 HB3 SER 15 -12.257 -27.957 -40.662 697 HG SER 15 HG SER 15 -13.858 -29.432 -40.113 698 H GLN 16 H GLN 16 -11.282 -27.509 -38.377 699 HA GLN 16 HA GLN 16 -12.396 -29.497 -36.528 700 HB2 GLN 16 HB2 GLN 16 -9.511 -29.182 -37.370 701 HB3 GLN 16 HB3 GLN 16 -10.222 -30.535 -36.508 702 HG2 GLN 16 HG2 GLN 16 -10.687 -29.756 -39.376 703 HG3 GLN 16 HG3 GLN 16 -9.828 -31.172 -38.776 704 HE21 GLN 16 HE21 GLN 16 -11.017 -32.845 -37.798 705 HE22 GLN 16 HE22 GLN 16 -12.711 -33.051 -38.131 706 H GLU 17 H GLU 17 -11.720 -29.564 -34.366 707 HA GLU 17 HA GLU 17 -11.233 -27.046 -33.138 708 HB2 GLU 17 HB2 GLU 17 -11.166 -28.340 -31.040 709 HB3 GLU 17 HB3 GLU 17 -12.564 -28.749 -32.026 710 HG2 GLU 17 HG2 GLU 17 -11.320 -30.735 -32.855 711 HG3 GLU 17 HG3 GLU 17 -10.035 -30.348 -31.712 712 H THR 18 H THR 18 -9.180 -29.420 -34.449 713 HA THR 18 HA THR 18 -6.913 -29.142 -32.808 714 HB THR 18 HB THR 18 -6.876 -29.734 -35.773 715 HG1 THR 18 HG1 THR 18 -7.169 -31.931 -35.100 716 HG21 THR 18 HG21 THR 18 -4.682 -29.408 -34.708 717 HG22 THR 18 HG22 THR 18 -4.917 -31.085 -35.200 718 HG23 THR 18 HG23 THR 18 -5.090 -30.630 -33.505 719 H PHE 19 H PHE 19 -8.220 -27.167 -35.370 720 HA PHE 19 HA PHE 19 -5.909 -25.673 -35.989 721 HB2 PHE 19 HB2 PHE 19 -8.846 -25.040 -36.234 722 HB3 PHE 19 HB3 PHE 19 -7.590 -23.929 -36.767 723 HD1 PHE 19 HD1 PHE 19 -9.204 -27.168 -37.392 724 HD2 PHE 19 HD2 PHE 19 -6.321 -24.344 -38.759 725 HE1 PHE 19 HE1 PHE 19 -9.111 -28.314 -39.566 726 HE2 PHE 19 HE2 PHE 19 -6.230 -25.486 -40.937 727 HZ PHE 19 HZ PHE 19 -7.628 -27.475 -41.342 728 H SER 20 H SER 20 -8.064 -25.603 -33.311 729 HA SER 20 HA SER 20 -7.491 -22.921 -32.494 730 HB2 SER 20 HB2 SER 20 -8.645 -25.177 -30.844 731 HB3 SER 20 HB3 SER 20 -8.804 -23.444 -30.545 732 HG SER 20 HG SER 20 -10.630 -23.830 -31.584 733 H ASP 21 H ASP 21 -5.843 -25.896 -32.247 734 HA ASP 21 HA ASP 21 -4.342 -24.974 -29.915 735 HB2 ASP 21 HB2 ASP 21 -5.226 -27.279 -29.834 736 HB3 ASP 21 HB3 ASP 21 -4.277 -27.679 -31.264 737 H LEU 22 H LEU 22 -4.137 -25.241 -33.291 738 HA LEU 22 HA LEU 22 -1.407 -25.714 -33.691 739 HB2 LEU 22 HB2 LEU 22 -3.315 -24.121 -35.402 740 HB3 LEU 22 HB3 LEU 22 -1.757 -24.733 -35.921 741 HG LEU 22 HG LEU 22 -4.115 -26.429 -35.099 742 HD11 LEU 22 HD11 LEU 22 -2.941 -25.896 -37.823 743 HD12 LEU 22 HD12 LEU 22 -4.457 -25.237 -37.209 744 HD13 LEU 22 HD13 LEU 22 -4.288 -26.976 -37.457 745 HD21 LEU 22 HD21 LEU 22 -1.441 -27.211 -36.261 746 HD22 LEU 22 HD22 LEU 22 -2.789 -28.299 -35.935 747 HD23 LEU 22 HD23 LEU 22 -1.967 -27.490 -34.602 748 H TRP 23 H TRP 23 -3.151 -22.689 -33.129 749 HA TRP 23 HA TRP 23 -0.852 -21.096 -33.837 750 HB2 TRP 23 HB2 TRP 23 -2.253 -19.172 -33.365 751 HB3 TRP 23 HB3 TRP 23 -3.148 -20.327 -34.346 752 HD1 TRP 23 HD1 TRP 23 -5.270 -21.498 -33.233 753 HE1 TRP 23 HE1 TRP 23 -6.655 -20.946 -31.120 754 HE3 TRP 23 HE3 TRP 23 -2.036 -18.243 -30.963 755 HZ2 TRP 23 HZ2 TRP 23 -6.387 -19.355 -28.801 756 HZ3 TRP 23 HZ3 TRP 23 -2.675 -17.257 -28.802 757 HH2 TRP 23 HH2 TRP 23 -4.803 -17.801 -27.745 758 H LYS 24 H LYS 24 -1.504 -22.864 -31.180 759 HA LYS 24 HA LYS 24 -0.963 -20.928 -29.118 760 HB2 LYS 24 HB2 LYS 24 -1.235 -23.932 -29.078 761 HB3 LYS 24 HB3 LYS 24 -0.903 -22.975 -27.641 762 HG2 LYS 24 HG2 LYS 24 -3.003 -21.884 -27.769 763 HG3 LYS 24 HG3 LYS 24 -3.309 -22.523 -29.389 764 HD2 LYS 24 HD2 LYS 24 -4.592 -23.773 -27.756 765 HD3 LYS 24 HD3 LYS 24 -3.338 -24.803 -28.448 766 HE2 LYS 24 HE2 LYS 24 -1.926 -24.169 -26.434 767 HE3 LYS 24 HE3 LYS 24 -3.417 -23.531 -25.736 768 HZ1 LYS 24 HZ1 LYS 24 -4.392 -25.647 -25.719 769 HZ2 LYS 24 HZ2 LYS 24 -2.801 -25.911 -25.177 770 HZ3 LYS 24 HZ3 LYS 24 -3.230 -26.299 -26.776 771 H LEU 25 H LEU 25 1.077 -21.489 -31.255 772 HA LEU 25 HA LEU 25 3.335 -22.564 -29.815 773 HB2 LEU 25 HB2 LEU 25 3.244 -21.028 -32.419 774 HB3 LEU 25 HB3 LEU 25 4.629 -21.903 -31.793 775 HG LEU 25 HG LEU 25 2.011 -23.138 -32.659 776 HD11 LEU 25 HD11 LEU 25 4.742 -23.183 -33.936 777 HD12 LEU 25 HD12 LEU 25 3.332 -22.305 -34.528 778 HD13 LEU 25 HD13 LEU 25 3.324 -24.068 -34.495 779 HD21 LEU 25 HD21 LEU 25 4.569 -24.441 -31.729 780 HD22 LEU 25 HD22 LEU 25 3.137 -25.276 -32.334 781 HD23 LEU 25 HD23 LEU 25 3.061 -24.371 -30.823 782 H LEU 26 H LEU 26 1.674 -19.992 -29.207 783 HA LEU 26 HA LEU 26 3.824 -18.035 -28.972 784 HB2 LEU 26 HB2 LEU 26 0.893 -17.817 -28.272 785 HB3 LEU 26 HB3 LEU 26 2.048 -16.500 -28.286 786 HG LEU 26 HG LEU 26 1.257 -18.078 -30.732 787 HD11 LEU 26 HD11 LEU 26 -0.027 -16.073 -31.351 788 HD12 LEU 26 HD12 LEU 26 0.303 -15.394 -29.756 789 HD13 LEU 26 HD13 LEU 26 -0.656 -16.868 -29.906 790 HD21 LEU 26 HD21 LEU 26 2.774 -15.487 -30.442 791 HD22 LEU 26 HD22 LEU 26 2.353 -16.291 -31.955 792 HD23 LEU 26 HD23 LEU 26 3.482 -17.054 -30.837 793 HA PRO 27 HA PRO 27 4.577 -18.884 -24.694 794 HB2 PRO 27 HB2 PRO 27 4.767 -15.982 -24.209 795 HB3 PRO 27 HB3 PRO 27 5.994 -17.238 -24.018 796 HG2 PRO 27 HG2 PRO 27 6.111 -15.453 -26.016 797 HG3 PRO 27 HG3 PRO 27 6.636 -17.133 -26.235 798 HD2 PRO 27 HD2 PRO 27 4.082 -15.817 -27.083 799 HD3 PRO 27 HD3 PRO 27 5.088 -16.990 -27.958 800 H GLU 28 H GLU 28 2.586 -19.614 -24.013 801 HA GLU 28 HA GLU 28 1.200 -17.847 -22.193 802 HB2 GLU 28 HB2 GLU 28 0.100 -18.305 -24.766 803 HB3 GLU 28 HB3 GLU 28 -0.839 -19.272 -23.636 804 HG2 GLU 28 HG2 GLU 28 -0.395 -16.298 -23.570 805 HG3 GLU 28 HG3 GLU 28 -1.908 -17.162 -23.859 806 H ASN 29 H ASN 29 -0.664 -19.241 -21.119 807 HA ASN 29 HA ASN 29 0.372 -21.979 -20.798 808 HB2 ASN 29 HB2 ASN 29 -0.238 -21.853 -18.396 809 HB3 ASN 29 HB3 ASN 29 1.010 -20.703 -18.845 810 HD21 ASN 29 HD21 ASN 29 -2.264 -21.121 -17.798 811 HD22 ASN 29 HD22 ASN 29 -2.563 -19.455 -17.419 812 H ASN 30 H ASN 30 -2.478 -19.890 -20.645 813 HA ASN 30 HA ASN 30 -4.152 -22.268 -21.122 814 HB2 ASN 30 HB2 ASN 30 -4.260 -21.728 -18.718 815 HB3 ASN 30 HB3 ASN 30 -4.727 -20.077 -19.102 816 HD21 ASN 30 HD21 ASN 30 -6.825 -19.634 -19.644 817 HD22 ASN 30 HD22 ASN 30 -8.108 -20.796 -19.540 818 H VAL 31 H VAL 31 -3.090 -19.537 -22.373 819 HA VAL 31 HA VAL 31 -3.793 -17.884 -23.745 820 HB VAL 31 HB VAL 31 -6.357 -19.466 -24.073 821 HG11 VAL 31 HG11 VAL 31 -6.517 -17.137 -24.804 822 HG12 VAL 31 HG12 VAL 31 -6.576 -18.243 -26.180 823 HG13 VAL 31 HG13 VAL 31 -5.093 -17.357 -25.823 824 HG21 VAL 31 HG21 VAL 31 -5.329 -20.400 -26.095 825 HG22 VAL 31 HG22 VAL 31 -4.419 -20.838 -24.650 826 HG23 VAL 31 HG23 VAL 31 -3.823 -19.565 -25.714 827 H LEU 32 H LEU 32 -3.789 -17.075 -21.403 828 HA LEU 32 HA LEU 32 -6.334 -16.424 -20.267 829 HB2 LEU 32 HB2 LEU 32 -3.561 -15.407 -19.638 830 HB3 LEU 32 HB3 LEU 32 -4.995 -15.035 -18.699 831 HG LEU 32 HG LEU 32 -3.814 -17.788 -19.085 832 HD11 LEU 32 HD11 LEU 32 -2.456 -16.340 -17.653 833 HD12 LEU 32 HD12 LEU 32 -3.217 -17.638 -16.736 834 HD13 LEU 32 HD13 LEU 32 -3.873 -16.003 -16.655 835 HD21 LEU 32 HD21 LEU 32 -5.450 -18.485 -17.393 836 HD22 LEU 32 HD22 LEU 32 -6.233 -17.876 -18.852 837 HD23 LEU 32 HD23 LEU 32 -6.148 -16.865 -17.409 838 H SER 33 H SER 33 -7.467 -14.594 -20.375 839 HA SER 33 HA SER 33 -7.237 -12.825 -22.519 840 HB2 SER 33 HB2 SER 33 -8.621 -12.264 -19.886 841 HB3 SER 33 HB3 SER 33 -9.016 -11.590 -21.468 842 HG SER 33 HG SER 33 -10.360 -13.205 -21.557 843 HA PRO 34 HA PRO 34 -4.186 -9.778 -21.413 844 HB2 PRO 34 HB2 PRO 34 -6.248 -7.793 -22.242 845 HB3 PRO 34 HB3 PRO 34 -4.569 -7.961 -22.771 846 HG2 PRO 34 HG2 PRO 34 -6.557 -8.733 -24.355 847 HG3 PRO 34 HG3 PRO 34 -5.067 -9.687 -24.242 848 HD2 PRO 34 HD2 PRO 34 -7.747 -10.208 -23.027 849 HD3 PRO 34 HD3 PRO 34 -6.576 -11.353 -23.715 850 H LEU 35 H LEU 35 -3.894 -9.542 -19.285 851 HA LEU 35 HA LEU 35 -5.684 -7.789 -17.782 852 HB2 LEU 35 HB2 LEU 35 -6.423 -10.158 -17.451 853 HB3 LEU 35 HB3 LEU 35 -4.837 -10.520 -16.802 854 HG LEU 35 HG LEU 35 -5.315 -8.766 -15.019 855 HD11 LEU 35 HD11 LEU 35 -7.619 -8.211 -14.586 856 HD12 LEU 35 HD12 LEU 35 -8.143 -9.157 -15.979 857 HD13 LEU 35 HD13 LEU 35 -7.192 -7.693 -16.216 858 HD21 LEU 35 HD21 LEU 35 -6.648 -10.325 -13.681 859 HD22 LEU 35 HD22 LEU 35 -5.357 -11.148 -14.556 860 HD23 LEU 35 HD23 LEU 35 -7.018 -11.249 -15.137 861 HA PRO 36 HA PRO 36 -1.638 -6.254 -16.567 862 HB2 PRO 36 HB2 PRO 36 -2.584 -4.764 -14.435 863 HB3 PRO 36 HB3 PRO 36 -2.502 -4.206 -16.108 864 HG2 PRO 36 HG2 PRO 36 -4.825 -5.297 -14.585 865 HG3 PRO 36 HG3 PRO 36 -4.776 -3.974 -15.766 866 HD2 PRO 36 HD2 PRO 36 -5.702 -6.410 -16.411 867 HD3 PRO 36 HD3 PRO 36 -4.792 -5.425 -17.573 868 H SER 37 H SER 37 -0.133 -6.721 -14.990 869 HA SER 37 HA SER 37 -0.821 -9.083 -13.461 870 HB2 SER 37 HB2 SER 37 1.892 -7.769 -13.685 871 HB3 SER 37 HB3 SER 37 1.533 -9.447 -13.276 872 HG SER 37 HG SER 37 0.452 -9.344 -15.516 873 H GLN 38 H GLN 38 -0.699 -5.791 -12.806 874 HA GLN 38 HA GLN 38 -0.221 -6.329 -9.950 875 HB2 GLN 38 HB2 GLN 38 0.686 -4.040 -9.764 876 HB3 GLN 38 HB3 GLN 38 1.634 -5.062 -10.832 877 HG2 GLN 38 HG2 GLN 38 0.397 -4.011 -12.751 878 HG3 GLN 38 HG3 GLN 38 -0.259 -2.855 -11.592 879 HE21 GLN 38 HE21 GLN 38 0.766 -1.096 -12.514 880 HE22 GLN 38 HE22 GLN 38 2.483 -0.855 -12.425 881 H ALA 39 H ALA 39 -2.714 -6.241 -11.590 882 HA ALA 39 HA ALA 39 -4.076 -3.828 -10.783 883 HB1 ALA 39 HB1 ALA 39 -5.174 -6.324 -12.067 884 HB2 ALA 39 HB2 ALA 39 -4.563 -4.911 -12.927 885 HB3 ALA 39 HB3 ALA 39 -6.002 -4.775 -11.916 886 H MET 40 H MET 40 -3.237 -6.538 -9.108 887 HA MET 40 HA MET 40 -5.732 -6.544 -7.552 888 HB2 MET 40 HB2 MET 40 -5.127 -8.759 -6.742 889 HB3 MET 40 HB3 MET 40 -5.156 -8.734 -8.497 890 HG2 MET 40 HG2 MET 40 -2.650 -8.490 -6.854 891 HG3 MET 40 HG3 MET 40 -3.270 -10.009 -7.496 892 HE1 MET 40 HE1 MET 40 -4.396 -9.125 -10.362 893 HE2 MET 40 HE2 MET 40 -3.443 -10.578 -10.056 894 HE3 MET 40 HE3 MET 40 -2.981 -9.476 -11.353 895 H ASP 41 H ASP 41 -2.565 -5.447 -7.448 896 HA ASP 41 HA ASP 41 -2.331 -5.662 -4.546 897 HB2 ASP 41 HB2 ASP 41 -0.336 -5.959 -6.084 898 HB3 ASP 41 HB3 ASP 41 -0.444 -4.237 -6.433 899 H ASP 42 H ASP 42 -4.212 -3.978 -6.317 900 HA ASP 42 HA ASP 42 -3.760 -1.257 -5.898 901 HB2 ASP 42 HB2 ASP 42 -5.477 -2.315 -7.421 902 HB3 ASP 42 HB3 ASP 42 -6.464 -2.610 -5.996 903 H LEU 43 H LEU 43 -4.867 -3.736 -3.767 904 HA LEU 43 HA LEU 43 -6.302 -2.302 -1.858 905 HB2 LEU 43 HB2 LEU 43 -4.479 -4.670 -1.431 906 HB3 LEU 43 HB3 LEU 43 -5.686 -4.105 -0.295 907 HG LEU 43 HG LEU 43 -6.230 -5.273 -3.028 908 HD11 LEU 43 HD11 LEU 43 -5.515 -6.936 -1.409 909 HD12 LEU 43 HD12 LEU 43 -7.237 -7.110 -1.744 910 HD13 LEU 43 HD13 LEU 43 -6.703 -6.345 -0.246 911 HD21 LEU 43 HD21 LEU 43 -8.581 -5.135 -2.415 912 HD22 LEU 43 HD22 LEU 43 -7.848 -3.531 -2.436 913 HD23 LEU 43 HD23 LEU 43 -8.155 -4.341 -0.899 914 H MET 44 H MET 44 -2.814 -3.087 -1.891 915 HA MET 44 HA MET 44 -2.447 -1.077 0.227 916 HB2 MET 44 HB2 MET 44 -0.546 -3.216 -0.715 917 HB3 MET 44 HB3 MET 44 -0.239 -2.079 0.583 918 HG2 MET 44 HG2 MET 44 -0.793 -3.976 1.713 919 HG3 MET 44 HG3 MET 44 -2.336 -3.122 1.664 920 HE1 MET 44 HE1 MET 44 -2.570 -7.222 1.209 921 HE2 MET 44 HE2 MET 44 -2.622 -5.968 2.448 922 HE3 MET 44 HE3 MET 44 -1.080 -6.433 1.727 923 H LEU 45 H LEU 45 -0.458 -2.346 -2.423 924 HA LEU 45 HA LEU 45 0.757 0.292 -2.639 925 HB2 LEU 45 HB2 LEU 45 1.635 -2.365 -3.799 926 HB3 LEU 45 HB3 LEU 45 2.547 -0.866 -3.873 927 HG LEU 45 HG LEU 45 1.885 -2.455 -1.385 928 HD11 LEU 45 HD11 LEU 45 4.356 -2.583 -1.144 929 HD12 LEU 45 HD12 LEU 45 4.509 -1.857 -2.745 930 HD13 LEU 45 HD13 LEU 45 3.739 -3.431 -2.564 931 HD21 LEU 45 HD21 LEU 45 3.064 -0.784 -0.127 932 HD22 LEU 45 HD22 LEU 45 1.732 -0.032 -1.008 933 HD23 LEU 45 HD23 LEU 45 3.386 0.138 -1.591 934 H SER 46 H SER 46 -0.644 1.472 -3.766 935 HA SER 46 HA SER 46 -2.259 0.586 -5.871 936 HB2 SER 46 HB2 SER 46 -1.387 3.415 -5.254 937 HB3 SER 46 HB3 SER 46 -2.816 2.930 -6.171 938 HG SER 46 HG SER 46 -2.993 1.624 -3.934 939 HA PRO 47 HA PRO 47 0.414 0.003 -9.263 940 HB2 PRO 47 HB2 PRO 47 -1.880 1.138 -10.802 941 HB3 PRO 47 HB3 PRO 47 -0.960 -0.346 -11.079 942 HG2 PRO 47 HG2 PRO 47 -3.367 -0.457 -9.977 943 HG3 PRO 47 HG3 PRO 47 -2.057 -1.498 -9.387 944 HD2 PRO 47 HD2 PRO 47 -3.223 0.958 -8.166 945 HD3 PRO 47 HD3 PRO 47 -2.586 -0.500 -7.380 946 H ASP 48 H ASP 48 -1.373 3.105 -9.318 947 HA ASP 48 HA ASP 48 0.306 4.308 -11.250 948 HB2 ASP 48 HB2 ASP 48 -1.913 5.204 -10.796 949 HB3 ASP 48 HB3 ASP 48 -1.442 5.608 -9.147 950 H ASP 49 H ASP 49 0.477 4.112 -7.765 951 HA ASP 49 HA ASP 49 2.595 6.057 -7.552 952 HB2 ASP 49 HB2 ASP 49 1.186 4.254 -5.608 953 HB3 ASP 49 HB3 ASP 49 2.663 5.092 -5.142 954 H ILE 50 H ILE 50 2.281 2.547 -7.455 955 HA ILE 50 HA ILE 50 4.846 2.033 -6.404 956 HB ILE 50 HB ILE 50 4.518 -0.270 -7.034 957 HG12 ILE 50 HG12 ILE 50 2.136 0.757 -8.587 958 HG13 ILE 50 HG13 ILE 50 3.554 -0.053 -9.247 959 HG21 ILE 50 HG21 ILE 50 2.053 1.062 -6.008 960 HG22 ILE 50 HG22 ILE 50 3.454 0.551 -5.070 961 HG23 ILE 50 HG23 ILE 50 2.428 -0.652 -5.849 962 HD11 ILE 50 HD11 ILE 50 1.662 -1.554 -9.160 963 HD12 ILE 50 HD12 ILE 50 1.499 -1.271 -7.425 964 HD13 ILE 50 HD13 ILE 50 2.929 -2.093 -8.055 965 H GLU 51 H GLU 51 3.867 2.868 -9.576 966 HA GLU 51 HA GLU 51 5.765 1.436 -11.019 967 HB2 GLU 51 HB2 GLU 51 4.342 4.027 -11.597 968 HB3 GLU 51 HB3 GLU 51 5.407 3.253 -12.757 969 HG2 GLU 51 HG2 GLU 51 3.068 1.837 -11.543 970 HG3 GLU 51 HG3 GLU 51 2.925 2.821 -13.000 971 H GLN 52 H GLN 52 6.203 3.958 -8.836 972 HA GLN 52 HA GLN 52 8.759 4.766 -10.017 973 HB2 GLN 52 HB2 GLN 52 7.270 5.926 -7.658 974 HB3 GLN 52 HB3 GLN 52 8.765 6.557 -8.331 975 HG2 GLN 52 HG2 GLN 52 7.588 6.973 -10.460 976 HG3 GLN 52 HG3 GLN 52 6.091 6.432 -9.702 977 HE21 GLN 52 HE21 GLN 52 5.067 8.418 -9.961 978 HE22 GLN 52 HE22 GLN 52 5.516 9.823 -9.047 979 H TRP 53 H TRP 53 7.404 3.282 -7.085 980 HA TRP 53 HA TRP 53 10.151 2.801 -6.174 981 HB2 TRP 53 HB2 TRP 53 9.146 2.985 -3.815 982 HB3 TRP 53 HB3 TRP 53 9.457 4.461 -4.724 983 HD1 TRP 53 HD1 TRP 53 7.466 6.004 -5.215 984 HE1 TRP 53 HE1 TRP 53 4.965 5.926 -4.701 985 HE3 TRP 53 HE3 TRP 53 7.129 1.195 -3.520 986 HZ2 TRP 53 HZ2 TRP 53 3.074 4.073 -3.708 987 HZ3 TRP 53 HZ3 TRP 53 4.938 0.349 -2.806 988 HH2 TRP 53 HH2 TRP 53 2.951 1.763 -2.895 989 H PHE 54 H PHE 54 7.932 1.110 -7.482 990 HA PHE 54 HA PHE 54 8.490 -1.263 -5.821 991 HB2 PHE 54 HB2 PHE 54 6.082 -0.441 -5.548 992 HB3 PHE 54 HB3 PHE 54 5.853 -0.775 -7.247 993 HD1 PHE 54 HD2 PHE 54 7.603 -3.408 -7.096 994 HD2 PHE 54 HD1 PHE 54 4.297 -1.898 -4.865 995 HE1 PHE 54 HE2 PHE 54 6.933 -5.706 -6.533 996 HE2 PHE 54 HE1 PHE 54 3.626 -4.195 -4.323 997 HZ PHE 54 HZ PHE 54 4.937 -6.099 -5.139 998 H THR 55 H THR 55 7.008 -0.186 -8.824 999 HA THR 55 HA THR 55 8.030 -2.367 -10.359 1000 HB THR 55 HB THR 55 6.941 0.179 -11.523 1001 HG1 THR 55 HG1 THR 55 4.819 -0.819 -11.174 1002 HG21 THR 55 HG21 THR 55 6.607 -2.730 -12.219 1003 HG22 THR 55 HG22 THR 55 7.676 -1.586 -13.030 1004 HG23 THR 55 HG23 THR 55 5.925 -1.369 -13.110 1005 H GLU 56 H GLU 56 10.225 -2.387 -10.565 1006 HA GLU 56 HA GLU 56 11.802 -0.058 -11.010 1007 HB2 GLU 56 HB2 GLU 56 12.628 -2.263 -10.083 1008 HB3 GLU 56 HB3 GLU 56 12.504 -2.915 -11.709 1009 HG2 GLU 56 HG2 GLU 56 14.782 -2.299 -11.236 1010 HG3 GLU 56 HG3 GLU 56 14.121 -1.253 -12.492 1011 H ASP 57 H ASP 57 10.959 1.087 -12.721 1012 HA ASP 57 HA ASP 57 10.196 -0.319 -15.135 1013 HB2 ASP 57 HB2 ASP 57 9.106 1.658 -15.821 1014 HB3 ASP 57 HB3 ASP 57 8.847 1.581 -14.084 1015 HA PRO 58 HA PRO 58 13.827 1.086 -17.353 1016 HB2 PRO 58 HB2 PRO 58 13.450 -0.458 -19.509 1017 HB3 PRO 58 HB3 PRO 58 13.949 -1.152 -17.964 1018 HG2 PRO 58 HG2 PRO 58 11.338 -1.293 -19.331 1019 HG3 PRO 58 HG3 PRO 58 12.052 -2.399 -18.147 1020 HD2 PRO 58 HD2 PRO 58 10.128 -0.313 -17.698 1021 HD3 PRO 58 HD3 PRO 58 10.834 -1.428 -16.511 1022 H GLY 59 H GLY 59 11.133 2.454 -17.371 1023 HA2 GLY 59 HA2 GLY 59 10.289 4.236 -18.625 1024 HA3 GLY 59 HA3 GLY 59 11.325 3.753 -19.966 1025 HA PRO 60 HA PRO 60 7.269 2.209 -21.346 1026 HB2 PRO 60 HB2 PRO 60 7.758 2.549 -23.986 1027 HB3 PRO 60 HB3 PRO 60 7.181 3.853 -22.945 1028 HG2 PRO 60 HG2 PRO 60 9.930 3.324 -23.973 1029 HG3 PRO 60 HG3 PRO 60 9.103 4.870 -23.714 1030 HD2 PRO 60 HD2 PRO 60 10.977 3.782 -22.004 1031 HD3 PRO 60 HD3 PRO 60 9.755 4.978 -21.535 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 23.231 2.654 -8.283 2 H2 GLY 1 HT2 GLY 1 22.366 2.667 -9.739 3 H3 GLY 1 HT3 GLY 1 22.319 1.300 -8.735 4 HA2 GLY 1 HA3 GLY 1 21.147 2.506 -7.040 5 HA3 GLY 1 HA2 GLY 1 21.273 3.975 -7.997 6 H LYS 2 H LYS 2 20.232 3.954 -10.127 7 HA LYS 2 HA LYS 2 18.383 3.796 -11.415 8 HB2 LYS 2 HB2 LYS 2 19.281 1.412 -11.599 9 HB3 LYS 2 HB3 LYS 2 18.070 0.964 -10.408 10 HG2 LYS 2 HG2 LYS 2 16.292 1.604 -11.878 11 HG3 LYS 2 HG3 LYS 2 17.437 2.273 -13.042 12 HD2 LYS 2 HD2 LYS 2 16.621 0.079 -13.751 13 HD3 LYS 2 HD3 LYS 2 18.356 0.047 -13.433 14 HE2 LYS 2 HE2 LYS 2 18.043 -1.062 -11.359 15 HE3 LYS 2 HE3 LYS 2 16.301 -0.790 -11.401 16 HZ1 LYS 2 HZ1 LYS 2 16.899 -3.072 -11.996 17 HZ2 LYS 2 HZ2 LYS 2 17.801 -2.499 -13.319 18 HZ3 LYS 2 HZ3 LYS 2 16.121 -2.272 -13.272 19 H GLY 3 H GLY 3 18.070 5.037 -9.084 20 HA2 GLY 3 HA2 GLY 3 15.310 5.055 -8.615 21 HA3 GLY 3 HA3 GLY 3 16.075 4.126 -7.327 22 H ASP 4 H ASP 4 15.970 5.494 -5.603 23 HA ASP 4 HA ASP 4 17.754 7.761 -5.673 24 HB2 ASP 4 HB2 ASP 4 15.497 8.637 -6.469 25 HB3 ASP 4 HB3 ASP 4 14.905 8.302 -4.843 26 HA PRO 5 HA PRO 5 18.081 6.091 -1.595 27 HB2 PRO 5 HB2 PRO 5 20.389 7.220 -0.912 28 HB3 PRO 5 HB3 PRO 5 20.316 6.017 -2.204 29 HG2 PRO 5 HG2 PRO 5 20.513 8.989 -2.390 30 HG3 PRO 5 HG3 PRO 5 21.301 7.748 -3.381 31 HD2 PRO 5 HD2 PRO 5 18.990 9.155 -4.068 32 HD3 PRO 5 HD3 PRO 5 19.537 7.641 -4.816 33 H LYS 6 H LYS 6 17.049 9.123 -2.247 34 HA LYS 6 HA LYS 6 16.991 9.813 0.614 35 HB2 LYS 6 HB2 LYS 6 17.466 11.582 -1.747 36 HB3 LYS 6 HB3 LYS 6 16.705 12.243 -0.306 37 HG2 LYS 6 HG2 LYS 6 19.423 10.968 -0.503 38 HG3 LYS 6 HG3 LYS 6 19.055 12.670 -0.204 39 HD2 LYS 6 HD2 LYS 6 17.823 11.898 1.870 40 HD3 LYS 6 HD3 LYS 6 18.558 10.315 1.604 41 HE2 LYS 6 HE2 LYS 6 19.886 11.528 3.190 42 HE3 LYS 6 HE3 LYS 6 20.787 11.400 1.680 43 HZ1 LYS 6 HZ1 LYS 6 19.149 13.777 2.340 44 HZ2 LYS 6 HZ2 LYS 6 20.371 13.638 1.169 45 HZ3 LYS 6 HZ3 LYS 6 20.767 13.642 2.817 46 H LYS 7 H LYS 7 15.148 8.442 -1.367 47 HA LYS 7 HA LYS 7 12.770 10.074 -0.880 48 HB2 LYS 7 HB2 LYS 7 13.267 7.681 -2.634 49 HB3 LYS 7 HB3 LYS 7 11.638 8.223 -2.251 50 HG2 LYS 7 HG2 LYS 7 12.082 10.374 -3.254 51 HG3 LYS 7 HG3 LYS 7 13.755 9.909 -3.568 52 HD2 LYS 7 HD2 LYS 7 13.032 8.187 -5.095 53 HD3 LYS 7 HD3 LYS 7 11.340 8.500 -4.701 54 HE2 LYS 7 HE2 LYS 7 13.123 10.646 -5.804 55 HE3 LYS 7 HE3 LYS 7 12.285 9.510 -6.864 56 HZ1 LYS 7 HZ1 LYS 7 10.183 10.251 -5.976 57 HZ2 LYS 7 HZ2 LYS 7 11.060 11.592 -6.534 58 HZ3 LYS 7 HZ3 LYS 7 10.962 11.277 -4.870 59 HA PRO 8 HA PRO 8 11.977 7.667 2.824 60 HB2 PRO 8 HB2 PRO 8 9.358 8.592 3.003 61 HB3 PRO 8 HB3 PRO 8 10.770 9.369 3.724 62 HG2 PRO 8 HG2 PRO 8 9.359 10.015 1.172 63 HG3 PRO 8 HG3 PRO 8 10.084 11.103 2.362 64 HD2 PRO 8 HD2 PRO 8 11.298 10.546 0.041 65 HD3 PRO 8 HD3 PRO 8 12.225 10.774 1.540 66 H ARG 9 H ARG 9 10.298 6.026 3.434 67 HA ARG 9 HA ARG 9 9.939 4.410 1.055 68 HB2 ARG 9 HB2 ARG 9 10.922 3.547 3.224 69 HB3 ARG 9 HB3 ARG 9 9.295 3.612 3.890 70 HG2 ARG 9 HG2 ARG 9 10.008 1.374 3.047 71 HG3 ARG 9 HG3 ARG 9 8.505 1.989 2.358 72 HD2 ARG 9 HD2 ARG 9 9.807 1.039 0.592 73 HD3 ARG 9 HD3 ARG 9 9.800 2.789 0.392 74 HE ARG 9 HE ARG 9 12.068 1.196 1.429 75 HH11 ARG 9 HH11 ARG 9 10.818 4.109 -0.105 76 HH12 ARG 9 HH12 ARG 9 12.393 4.746 -0.454 77 HH21 ARG 9 HH21 ARG 9 14.132 2.064 0.975 78 HH22 ARG 9 HH22 ARG 9 14.267 3.575 0.121 79 H GLY 10 H GLY 10 8.058 6.495 2.926 80 HA2 GLY 10 HA2 GLY 10 6.034 7.299 1.934 81 HA3 GLY 10 HA3 GLY 10 5.750 5.687 1.292 82 H LYS 11 H LYS 11 5.134 7.852 3.795 83 HA LYS 11 HA LYS 11 4.639 6.330 6.016 84 HB2 LYS 11 HB2 LYS 11 2.871 8.045 6.570 85 HB3 LYS 11 HB3 LYS 11 4.468 8.682 6.203 86 HG2 LYS 11 HG2 LYS 11 3.710 9.227 3.933 87 HG3 LYS 11 HG3 LYS 11 2.102 8.627 4.340 88 HD2 LYS 11 HD2 LYS 11 1.872 10.321 6.057 89 HD3 LYS 11 HD3 LYS 11 3.515 10.885 5.754 90 HE2 LYS 11 HE2 LYS 11 1.958 12.369 4.676 91 HE3 LYS 11 HE3 LYS 11 2.843 11.466 3.448 92 HZ1 LYS 11 HZ1 LYS 11 0.113 10.790 4.412 93 HZ2 LYS 11 HZ2 LYS 11 0.955 10.026 3.153 94 HZ3 LYS 11 HZ3 LYS 11 0.456 11.637 2.981 95 H MET 12 H MET 12 2.448 6.937 3.312 96 HA MET 12 HA MET 12 0.390 6.072 2.770 97 HB2 MET 12 HB2 MET 12 2.031 3.573 3.188 98 HB3 MET 12 HB3 MET 12 0.596 3.696 2.183 99 HG2 MET 12 HG2 MET 12 1.744 5.300 0.745 100 HG3 MET 12 HG3 MET 12 3.192 5.147 1.740 101 HE1 MET 12 HE1 MET 12 4.178 1.408 1.168 102 HE2 MET 12 HE2 MET 12 2.934 1.852 2.336 103 HE3 MET 12 HE3 MET 12 4.377 2.853 2.164 104 H SER 13 H SER 13 -0.667 3.477 3.397 105 HA SER 13 HA SER 13 -1.677 3.934 6.093 106 HB2 SER 13 HB2 SER 13 -2.533 1.835 4.081 107 HB3 SER 13 HB3 SER 13 -3.420 2.373 5.512 108 HG SER 13 HG SER 13 -4.278 3.368 3.694 109 H SER 14 H SER 14 -1.820 2.083 7.579 110 HA SER 14 HA SER 14 0.621 0.743 7.957 111 HB2 SER 14 HB2 SER 14 -0.743 -0.616 9.632 112 HB3 SER 14 HB3 SER 14 -0.774 1.133 9.860 113 HG SER 14 HG SER 14 -2.873 0.390 9.995 114 H TYR 15 H TYR 15 -2.348 -0.169 6.393 115 HA TYR 15 HA TYR 15 -1.991 -2.894 5.999 116 HB2 TYR 15 HB2 TYR 15 -3.991 -1.360 5.497 117 HB3 TYR 15 HB3 TYR 15 -3.185 -0.991 3.982 118 HD1 TYR 15 HD2 TYR 15 -2.872 -4.380 5.263 119 HD2 TYR 15 HD1 TYR 15 -5.205 -1.788 2.826 120 HE1 TYR 15 HE2 TYR 15 -3.954 -6.330 4.230 121 HE2 TYR 15 HE1 TYR 15 -6.293 -3.731 1.791 122 HH TYR 15 HH TYR 15 -6.021 -6.019 1.454 123 H ALA 16 H ALA 16 -1.041 -0.174 3.893 124 HA ALA 16 HA ALA 16 0.302 -1.780 1.987 125 HB1 ALA 16 HB1 ALA 16 1.208 0.309 1.117 126 HB2 ALA 16 HB2 ALA 16 0.658 1.159 2.563 127 HB3 ALA 16 HB3 ALA 16 -0.519 0.462 1.452 128 H PHE 17 H PHE 17 1.299 -0.199 4.958 129 HA PHE 17 HA PHE 17 4.078 -0.420 4.653 130 HB2 PHE 17 HB2 PHE 17 2.257 0.315 6.730 131 HB3 PHE 17 HB3 PHE 17 3.443 -0.805 7.395 132 HD1 PHE 17 HD2 PHE 17 3.072 2.356 5.526 133 HD2 PHE 17 HD1 PHE 17 5.629 -0.111 7.865 134 HE1 PHE 17 HE2 PHE 17 4.707 4.185 5.652 135 HE2 PHE 17 HE1 PHE 17 7.276 1.712 7.998 136 HZ PHE 17 HZ PHE 17 6.816 3.866 6.887 137 H PHE 18 H PHE 18 1.658 -2.715 5.709 138 HA PHE 18 HA PHE 18 3.302 -4.743 6.683 139 HB2 PHE 18 HB2 PHE 18 0.892 -4.856 6.919 140 HB3 PHE 18 HB3 PHE 18 0.688 -4.922 5.172 141 HD1 PHE 18 HD2 PHE 18 2.245 -6.781 7.995 142 HD2 PHE 18 HD1 PHE 18 0.503 -6.957 4.119 143 HE1 PHE 18 HE2 PHE 18 2.308 -9.240 8.082 144 HE2 PHE 18 HE1 PHE 18 0.562 -9.408 4.199 145 HZ PHE 18 HZ PHE 18 1.464 -10.556 6.177 146 H VAL 19 H VAL 19 1.988 -4.385 3.367 147 HA VAL 19 HA VAL 19 3.641 -6.386 2.229 148 HB VAL 19 HB VAL 19 2.333 -3.996 0.908 149 HG11 VAL 19 HG11 VAL 19 3.642 -6.374 -0.410 150 HG12 VAL 19 HG12 VAL 19 4.305 -4.741 -0.377 151 HG13 VAL 19 HG13 VAL 19 2.792 -5.063 -1.224 152 HG21 VAL 19 HG21 VAL 19 0.792 -5.649 1.807 153 HG22 VAL 19 HG22 VAL 19 1.642 -6.924 0.932 154 HG23 VAL 19 HG23 VAL 19 0.782 -5.665 0.042 155 H GLN 20 H GLN 20 4.056 -2.925 2.636 156 HA GLN 20 HA GLN 20 6.184 -2.329 1.046 157 HB2 GLN 20 HB2 GLN 20 5.056 -0.645 2.340 158 HB3 GLN 20 HB3 GLN 20 5.607 -1.366 3.846 159 HG2 GLN 20 HG2 GLN 20 7.975 -0.904 2.919 160 HG3 GLN 20 HG3 GLN 20 7.144 0.214 1.835 161 HE21 GLN 20 HE21 GLN 20 6.225 2.064 2.663 162 HE22 GLN 20 HE22 GLN 20 6.509 2.614 4.275 163 H THR 21 H THR 21 6.499 -3.438 4.435 164 HA THR 21 HA THR 21 9.351 -3.379 4.187 165 HB THR 21 HB THR 21 8.226 -2.785 6.303 166 HG1 THR 21 HG1 THR 21 10.462 -3.735 6.083 167 HG21 THR 21 HG21 THR 21 7.664 -5.746 6.500 168 HG22 THR 21 HG22 THR 21 6.461 -4.464 6.341 169 HG23 THR 21 HG23 THR 21 7.450 -4.580 7.800 170 H CYS 22 H CYS 22 6.924 -5.996 4.195 171 HA CYS 22 HA CYS 22 8.906 -8.050 4.373 172 HB2 CYS 22 HB2 CYS 22 7.077 -9.589 3.673 173 HB3 CYS 22 HB3 CYS 22 6.655 -8.585 5.053 174 HG CYS 22 HG CYS 22 4.779 -7.115 3.885 175 H ARG 23 H ARG 23 7.312 -6.366 1.759 176 HA ARG 23 HA ARG 23 8.350 -7.784 -0.431 177 HB2 ARG 23 HB2 ARG 23 6.654 -6.182 -0.843 178 HB3 ARG 23 HB3 ARG 23 7.539 -4.914 -0.007 179 HG2 ARG 23 HG2 ARG 23 9.269 -5.520 -2.000 180 HG3 ARG 23 HG3 ARG 23 7.716 -5.831 -2.783 181 HD2 ARG 23 HD2 ARG 23 8.378 -3.529 -3.137 182 HD3 ARG 23 HD3 ARG 23 6.946 -3.589 -2.103 183 HE ARG 23 HE ARG 23 8.424 -3.145 -0.210 184 HH11 ARG 23 HH11 ARG 23 9.765 -2.615 -3.393 185 HH12 ARG 23 HH12 ARG 23 10.849 -1.359 -2.886 186 HH21 ARG 23 HH21 ARG 23 9.873 -1.505 0.490 187 HH22 ARG 23 HH22 ARG 23 10.927 -0.748 -0.658 188 H GLU 24 H GLU 24 9.595 -4.984 1.329 189 HA GLU 24 HA GLU 24 11.922 -4.735 -0.280 190 HB2 GLU 24 HB2 GLU 24 10.983 -2.817 0.841 191 HB3 GLU 24 HB3 GLU 24 11.198 -3.569 2.410 192 HG2 GLU 24 HG2 GLU 24 13.619 -3.461 2.135 193 HG3 GLU 24 HG3 GLU 24 13.411 -2.771 0.526 194 H GLU 25 H GLU 25 11.231 -6.208 2.865 195 HA GLU 25 HA GLU 25 13.726 -7.128 3.603 196 HB2 GLU 25 HB2 GLU 25 11.863 -7.574 5.039 197 HB3 GLU 25 HB3 GLU 25 11.022 -8.455 3.770 198 HG2 GLU 25 HG2 GLU 25 12.821 -10.141 3.837 199 HG3 GLU 25 HG3 GLU 25 13.470 -9.328 5.259 200 H HIS 26 H HIS 26 11.490 -8.439 1.222 201 HA HIS 26 HA HIS 26 12.830 -10.840 0.713 202 HB2 HIS 26 HB2 HIS 26 10.504 -10.387 0.002 203 HB3 HIS 26 HB3 HIS 26 11.111 -9.255 -1.202 204 HD1 HIS 26 HD1 HIS 26 11.573 -10.229 -3.455 205 HD2 HIS 26 HD2 HIS 26 11.549 -13.111 -0.472 206 HE1 HIS 26 HE1 HIS 26 11.840 -12.424 -4.639 207 HE2 HIS 26 HE2 HIS 26 11.615 -14.169 -2.834 208 H LYS 27 H LYS 27 13.254 -7.612 -0.689 209 HA LYS 27 HA LYS 27 15.120 -8.670 -2.628 210 HB2 LYS 27 HB2 LYS 27 13.745 -6.801 -3.316 211 HB3 LYS 27 HB3 LYS 27 14.359 -5.814 -1.998 212 HG2 LYS 27 HG2 LYS 27 16.455 -5.561 -3.000 213 HG3 LYS 27 HG3 LYS 27 16.199 -6.924 -4.089 214 HD2 LYS 27 HD2 LYS 27 14.499 -4.450 -4.213 215 HD3 LYS 27 HD3 LYS 27 16.034 -4.573 -5.077 216 HE2 LYS 27 HE2 LYS 27 13.830 -6.601 -5.370 217 HE3 LYS 27 HE3 LYS 27 13.946 -5.167 -6.388 218 HZ1 LYS 27 HZ1 LYS 27 16.025 -5.890 -7.238 219 HZ2 LYS 27 HZ2 LYS 27 14.968 -7.206 -7.353 220 HZ3 LYS 27 HZ3 LYS 27 16.134 -7.161 -6.124 221 H LYS 28 H LYS 28 15.302 -7.343 0.578 222 HA LYS 28 HA LYS 28 18.085 -6.744 0.525 223 HB2 LYS 28 HB2 LYS 28 16.380 -7.608 2.870 224 HB3 LYS 28 HB3 LYS 28 17.983 -6.896 2.977 225 HG2 LYS 28 HG2 LYS 28 17.154 -4.818 2.049 226 HG3 LYS 28 HG3 LYS 28 15.549 -5.530 1.853 227 HD2 LYS 28 HD2 LYS 28 15.592 -5.965 4.352 228 HD3 LYS 28 HD3 LYS 28 17.015 -4.928 4.414 229 HE2 LYS 28 HE2 LYS 28 14.335 -4.110 3.315 230 HE3 LYS 28 HE3 LYS 28 14.898 -3.751 4.948 231 HZ1 LYS 28 HZ1 LYS 28 16.716 -2.470 4.008 232 HZ2 LYS 28 HZ2 LYS 28 15.225 -1.887 3.443 233 HZ3 LYS 28 HZ3 LYS 28 16.200 -2.833 2.433 234 H LYS 29 H LYS 29 16.229 -9.583 1.523 235 HA LYS 29 HA LYS 29 18.641 -11.111 2.012 236 HB2 LYS 29 HB2 LYS 29 15.729 -11.892 2.241 237 HB3 LYS 29 HB3 LYS 29 17.100 -12.827 2.838 238 HG2 LYS 29 HG2 LYS 29 17.669 -11.089 4.403 239 HG3 LYS 29 HG3 LYS 29 16.424 -10.035 3.741 240 HD2 LYS 29 HD2 LYS 29 14.720 -11.701 4.467 241 HD3 LYS 29 HD3 LYS 29 16.016 -12.607 5.260 242 HE2 LYS 29 HE2 LYS 29 16.549 -10.647 6.629 243 HE3 LYS 29 HE3 LYS 29 15.264 -9.741 5.833 244 HZ1 LYS 29 HZ1 LYS 29 14.856 -12.190 7.473 245 HZ2 LYS 29 HZ2 LYS 29 13.637 -11.237 6.769 246 HZ3 LYS 29 HZ3 LYS 29 14.600 -10.601 8.008 247 H HIS 30 H HIS 30 16.414 -10.659 -0.557 248 HA HIS 30 HA HIS 30 18.014 -12.527 -2.152 249 HB2 HIS 30 HB2 HIS 30 14.988 -12.401 -2.150 250 HB3 HIS 30 HB3 HIS 30 15.915 -13.111 -3.463 251 HD1 HIS 30 HD1 HIS 30 16.796 -15.462 -3.144 252 HD2 HIS 30 HD2 HIS 30 15.039 -13.884 0.278 253 HE1 HIS 30 HE1 HIS 30 16.597 -17.382 -1.539 254 HE2 HIS 30 HE2 HIS 30 15.764 -16.349 0.602 255 HA PRO 31 HA PRO 31 17.833 -8.210 -3.786 256 HB2 PRO 31 HB2 PRO 31 20.461 -8.977 -4.884 257 HB3 PRO 31 HB3 PRO 31 20.025 -7.589 -3.886 258 HG2 PRO 31 HG2 PRO 31 21.452 -9.628 -2.898 259 HG3 PRO 31 HG3 PRO 31 20.252 -8.767 -1.912 260 HD2 PRO 31 HD2 PRO 31 20.034 -11.423 -3.283 261 HD3 PRO 31 HD3 PRO 31 19.460 -10.934 -1.674 262 H ASP 32 H ASP 32 18.726 -11.193 -5.365 263 HA ASP 32 HA ASP 32 18.576 -10.171 -8.034 264 HB2 ASP 32 HB2 ASP 32 20.053 -12.011 -7.580 265 HB3 ASP 32 HB3 ASP 32 18.745 -12.964 -6.895 266 H ALA 33 H ALA 33 16.269 -11.241 -5.767 267 HA ALA 33 HA ALA 33 14.368 -11.967 -7.884 268 HB1 ALA 33 HB1 ALA 33 14.699 -13.697 -6.214 269 HB2 ALA 33 HB2 ALA 33 13.056 -13.052 -6.124 270 HB3 ALA 33 HB3 ALA 33 14.262 -12.564 -4.934 271 H SER 34 H SER 34 12.759 -10.665 -8.360 272 HA SER 34 HA SER 34 11.927 -8.603 -6.469 273 HB2 SER 34 HB2 SER 34 10.415 -7.923 -8.390 274 HB3 SER 34 HB3 SER 34 12.139 -7.833 -8.742 275 HG SER 34 HG SER 34 11.493 -8.945 -10.427 276 H VAL 35 H VAL 35 9.210 -8.495 -6.927 277 HA VAL 35 HA VAL 35 8.265 -11.224 -6.384 278 HB VAL 35 HB VAL 35 6.661 -10.434 -4.764 279 HG11 VAL 35 HG11 VAL 35 9.407 -9.363 -4.128 280 HG12 VAL 35 HG12 VAL 35 8.856 -11.022 -3.895 281 HG13 VAL 35 HG13 VAL 35 8.143 -9.716 -2.949 282 HG21 VAL 35 HG21 VAL 35 7.781 -7.699 -5.312 283 HG22 VAL 35 HG22 VAL 35 6.686 -8.088 -3.987 284 HG23 VAL 35 HG23 VAL 35 6.148 -8.274 -5.658 285 H ASN 36 H ASN 36 6.052 -11.605 -6.962 286 HA ASN 36 HA ASN 36 5.250 -10.057 -9.286 287 HB2 ASN 36 HB2 ASN 36 4.035 -12.533 -8.030 288 HB3 ASN 36 HB3 ASN 36 3.490 -11.791 -9.532 289 HD21 ASN 36 HD21 ASN 36 6.006 -13.622 -7.984 290 HD22 ASN 36 HD22 ASN 36 6.812 -14.120 -9.433 291 H PHE 37 H PHE 37 3.994 -8.342 -9.098 292 HA PHE 37 HA PHE 37 3.032 -7.226 -6.803 293 HB2 PHE 37 HB2 PHE 37 2.101 -6.986 -9.644 294 HB3 PHE 37 HB3 PHE 37 1.280 -6.106 -8.363 295 HD1 PHE 37 HD2 PHE 37 4.390 -6.437 -10.272 296 HD2 PHE 37 HD1 PHE 37 2.315 -4.236 -7.280 297 HE1 PHE 37 HE2 PHE 37 6.040 -4.621 -10.464 298 HE2 PHE 37 HE1 PHE 37 3.955 -2.417 -7.472 299 HZ PHE 37 HZ PHE 37 5.822 -2.608 -9.065 300 H SER 38 H SER 38 0.978 -9.010 -9.101 301 HA SER 38 HA SER 38 -1.336 -8.828 -7.501 302 HB2 SER 38 HB2 SER 38 -0.762 -10.886 -9.636 303 HB3 SER 38 HB3 SER 38 -2.342 -10.312 -9.101 304 HG SER 38 HG SER 38 -1.072 -8.143 -9.786 305 H GLU 39 H GLU 39 1.273 -11.137 -7.563 306 HA GLU 39 HA GLU 39 -0.206 -13.183 -6.176 307 HB2 GLU 39 HB2 GLU 39 2.760 -12.967 -6.717 308 HB3 GLU 39 HB3 GLU 39 1.920 -14.399 -6.130 309 HG2 GLU 39 HG2 GLU 39 1.535 -13.064 -8.794 310 HG3 GLU 39 HG3 GLU 39 2.370 -14.588 -8.490 311 H PHE 40 H PHE 40 2.489 -11.028 -5.383 312 HA PHE 40 HA PHE 40 2.838 -11.885 -2.734 313 HB2 PHE 40 HB2 PHE 40 4.407 -10.503 -4.170 314 HB3 PHE 40 HB3 PHE 40 3.396 -9.114 -3.796 315 HD1 PHE 40 HD2 PHE 40 5.472 -11.761 -2.228 316 HD2 PHE 40 HD1 PHE 40 3.750 -7.887 -1.857 317 HE1 PHE 40 HE2 PHE 40 6.774 -11.384 -0.174 318 HE2 PHE 40 HE1 PHE 40 5.055 -7.504 0.195 319 HZ PHE 40 HZ PHE 40 6.565 -9.249 1.034 320 H SER 41 H SER 41 0.749 -9.427 -4.156 321 HA SER 41 HA SER 41 -0.045 -8.199 -1.750 322 HB2 SER 41 HB2 SER 41 -2.022 -7.424 -3.154 323 HB3 SER 41 HB3 SER 41 -0.420 -7.003 -3.760 324 HG SER 41 HG SER 41 -0.722 -8.241 -5.436 325 H LYS 42 H LYS 42 -1.650 -10.754 -3.693 326 HA LYS 42 HA LYS 42 -3.910 -10.911 -2.046 327 HB2 LYS 42 HB2 LYS 42 -4.351 -13.110 -3.095 328 HB3 LYS 42 HB3 LYS 42 -4.007 -11.840 -4.257 329 HG2 LYS 42 HG2 LYS 42 -1.869 -12.706 -4.719 330 HG3 LYS 42 HG3 LYS 42 -1.922 -13.786 -3.326 331 HD2 LYS 42 HD2 LYS 42 -2.298 -15.053 -5.343 332 HD3 LYS 42 HD3 LYS 42 -3.786 -15.008 -4.399 333 HE2 LYS 42 HE2 LYS 42 -4.345 -14.655 -6.698 334 HE3 LYS 42 HE3 LYS 42 -4.567 -13.137 -5.833 335 HZ1 LYS 42 HZ1 LYS 42 -2.245 -13.855 -7.551 336 HZ2 LYS 42 HZ2 LYS 42 -2.391 -12.421 -6.661 337 HZ3 LYS 42 HZ3 LYS 42 -3.472 -12.742 -7.925 338 H LYS 43 H LYS 43 -0.916 -12.865 -1.937 339 HA LYS 43 HA LYS 43 -1.888 -14.622 0.062 340 HB2 LYS 43 HB2 LYS 43 0.640 -15.059 0.401 341 HB3 LYS 43 HB3 LYS 43 -0.095 -15.500 -1.135 342 HG2 LYS 43 HG2 LYS 43 0.858 -13.673 -2.244 343 HG3 LYS 43 HG3 LYS 43 1.247 -12.854 -0.732 344 HD2 LYS 43 HD2 LYS 43 2.476 -15.509 -1.310 345 HD3 LYS 43 HD3 LYS 43 3.110 -14.071 -2.112 346 HE2 LYS 43 HE2 LYS 43 4.405 -14.256 -0.175 347 HE3 LYS 43 HE3 LYS 43 3.191 -13.031 0.208 348 HZ1 LYS 43 HZ1 LYS 43 2.956 -15.894 0.969 349 HZ2 LYS 43 HZ2 LYS 43 1.956 -14.623 1.463 350 HZ3 LYS 43 HZ3 LYS 43 3.561 -14.685 1.994 351 H CYS 44 H CYS 44 0.155 -11.712 0.216 352 HA CYS 44 HA CYS 44 0.567 -11.843 3.008 353 HB2 CYS 44 HB2 CYS 44 0.676 -9.507 1.094 354 HB3 CYS 44 HB3 CYS 44 1.178 -9.419 2.780 355 HG CYS 44 HG CYS 44 3.612 -9.823 2.008 356 H SER 45 H SER 45 -1.968 -10.437 1.022 357 HA SER 45 HA SER 45 -3.238 -8.969 3.066 358 HB2 SER 45 HB2 SER 45 -3.687 -8.614 0.663 359 HB3 SER 45 HB3 SER 45 -4.472 -10.192 0.588 360 HG SER 45 HG SER 45 -5.289 -7.892 2.043 361 H GLU 46 H GLU 46 -3.667 -12.304 1.912 362 HA GLU 46 HA GLU 46 -5.843 -13.024 3.520 363 HB2 GLU 46 HB2 GLU 46 -3.504 -14.782 2.748 364 HB3 GLU 46 HB3 GLU 46 -5.100 -15.330 3.240 365 HG2 GLU 46 HG2 GLU 46 -6.070 -14.339 1.240 366 HG3 GLU 46 HG3 GLU 46 -4.481 -13.746 0.757 367 H ARG 47 H ARG 47 -2.375 -13.115 4.164 368 HA ARG 47 HA ARG 47 -2.585 -14.208 6.761 369 HB2 ARG 47 HB2 ARG 47 -0.512 -14.185 5.356 370 HB3 ARG 47 HB3 ARG 47 -0.362 -12.466 5.689 371 HG2 ARG 47 HG2 ARG 47 -0.121 -12.910 8.053 372 HG3 ARG 47 HG3 ARG 47 -0.368 -14.634 7.773 373 HD2 ARG 47 HD2 ARG 47 1.648 -14.612 6.307 374 HD3 ARG 47 HD3 ARG 47 1.926 -12.942 6.800 375 HE ARG 47 HE ARG 47 1.697 -14.412 9.133 376 HH11 ARG 47 HH11 ARG 47 3.825 -14.364 6.342 377 HH12 ARG 47 HH12 ARG 47 5.194 -14.966 7.221 378 HH21 ARG 47 HH21 ARG 47 3.521 -15.203 10.278 379 HH22 ARG 47 HH22 ARG 47 5.021 -15.444 9.428 380 H TRP 48 H TRP 48 -2.382 -10.873 5.561 381 HA TRP 48 HA TRP 48 -2.254 -9.540 8.007 382 HB2 TRP 48 HB2 TRP 48 -1.893 -8.324 5.973 383 HB3 TRP 48 HB3 TRP 48 -3.498 -8.729 5.375 384 HD1 TRP 48 HD1 TRP 48 -5.553 -7.285 6.276 385 HE1 TRP 48 HE1 TRP 48 -5.689 -5.018 7.501 386 HE3 TRP 48 HE3 TRP 48 -0.671 -6.855 7.736 387 HZ2 TRP 48 HZ2 TRP 48 -3.955 -3.289 8.895 388 HZ3 TRP 48 HZ3 TRP 48 0.004 -4.864 9.012 389 HH2 TRP 48 HH2 TRP 48 -1.605 -3.120 9.579 390 H LYS 49 H LYS 49 -5.137 -10.470 6.121 391 HA LYS 49 HA LYS 49 -7.014 -9.315 7.880 392 HB2 LYS 49 HB2 LYS 49 -7.435 -11.683 6.049 393 HB3 LYS 49 HB3 LYS 49 -8.692 -10.683 6.755 394 HG2 LYS 49 HG2 LYS 49 -7.571 -8.744 5.476 395 HG3 LYS 49 HG3 LYS 49 -6.770 -10.023 4.560 396 HD2 LYS 49 HD2 LYS 49 -9.050 -11.009 4.147 397 HD3 LYS 49 HD3 LYS 49 -9.730 -9.533 4.830 398 HE2 LYS 49 HE2 LYS 49 -9.731 -9.288 2.461 399 HE3 LYS 49 HE3 LYS 49 -8.449 -8.253 3.092 400 HZ1 LYS 49 HZ1 LYS 49 -7.931 -9.692 1.073 401 HZ2 LYS 49 HZ2 LYS 49 -7.883 -10.998 2.154 402 HZ3 LYS 49 HZ3 LYS 49 -6.813 -9.696 2.343 403 H THR 50 H THR 50 -5.195 -12.234 8.070 404 HA THR 50 HA THR 50 -6.923 -13.212 10.242 405 HB THR 50 HB THR 50 -5.925 -15.439 9.808 406 HG1 THR 50 HG1 THR 50 -4.939 -14.361 7.365 407 HG21 THR 50 HG21 THR 50 -7.169 -15.893 7.757 408 HG22 THR 50 HG22 THR 50 -7.226 -14.168 7.396 409 HG23 THR 50 HG23 THR 50 -8.079 -14.803 8.805 410 H MET 51 H MET 51 -4.552 -11.266 10.227 411 HA MET 51 HA MET 51 -2.698 -12.748 11.962 412 HB2 MET 51 HB2 MET 51 -1.784 -11.535 9.972 413 HB3 MET 51 HB3 MET 51 -2.335 -10.027 10.688 414 HG2 MET 51 HG2 MET 51 -0.845 -10.382 12.591 415 HG3 MET 51 HG3 MET 51 -0.297 -11.900 11.883 416 HE1 MET 51 HE1 MET 51 0.452 -7.780 9.945 417 HE2 MET 51 HE2 MET 51 -0.370 -7.981 11.493 418 HE3 MET 51 HE3 MET 51 -1.127 -8.562 10.010 419 H SER 52 H SER 52 -1.933 -11.750 13.912 420 HA SER 52 HA SER 52 -3.944 -10.629 15.526 421 HB2 SER 52 HB2 SER 52 -1.775 -10.141 16.991 422 HB3 SER 52 HB3 SER 52 -2.396 -11.778 16.776 423 HG SER 52 HG SER 52 -0.041 -10.664 15.908 424 H ALA 53 H ALA 53 -4.186 -8.576 16.407 425 HA ALA 53 HA ALA 53 -3.671 -6.480 14.534 426 HB1 ALA 53 HB1 ALA 53 -5.769 -6.650 15.785 427 HB2 ALA 53 HB2 ALA 53 -4.984 -5.088 16.016 428 HB3 ALA 53 HB3 ALA 53 -4.895 -6.314 17.280 429 H LYS 54 H LYS 54 -2.029 -7.614 17.325 430 HA LYS 54 HA LYS 54 -0.760 -5.248 18.174 431 HB2 LYS 54 HB2 LYS 54 0.356 -8.056 18.279 432 HB3 LYS 54 HB3 LYS 54 0.845 -6.697 19.280 433 HG2 LYS 54 HG2 LYS 54 -1.444 -6.642 20.229 434 HG3 LYS 54 HG3 LYS 54 -1.815 -8.099 19.305 435 HD2 LYS 54 HD2 LYS 54 -1.243 -8.771 21.520 436 HD3 LYS 54 HD3 LYS 54 0.098 -9.219 20.464 437 HE2 LYS 54 HE2 LYS 54 1.360 -7.294 21.178 438 HE3 LYS 54 HE3 LYS 54 -0.001 -6.716 22.140 439 HZ1 LYS 54 HZ1 LYS 54 0.184 -8.826 23.430 440 HZ2 LYS 54 HZ2 LYS 54 1.505 -7.781 23.604 441 HZ3 LYS 54 HZ3 LYS 54 1.638 -9.148 22.611 442 H GLU 55 H GLU 55 0.233 -7.759 15.885 443 HA GLU 55 HA GLU 55 2.641 -6.575 15.067 444 HB2 GLU 55 HB2 GLU 55 0.758 -8.553 13.805 445 HB3 GLU 55 HB3 GLU 55 2.166 -7.969 12.931 446 HG2 GLU 55 HG2 GLU 55 2.447 -10.154 14.135 447 HG3 GLU 55 HG3 GLU 55 3.654 -8.923 14.486 448 H LYS 56 H LYS 56 -0.669 -6.246 13.892 449 HA LYS 56 HA LYS 56 -0.209 -4.596 11.686 450 HB2 LYS 56 HB2 LYS 56 -2.556 -4.469 13.590 451 HB3 LYS 56 HB3 LYS 56 -2.513 -3.827 11.957 452 HG2 LYS 56 HG2 LYS 56 -2.202 -6.128 11.103 453 HG3 LYS 56 HG3 LYS 56 -2.383 -6.725 12.756 454 HD2 LYS 56 HD2 LYS 56 -4.622 -5.638 12.839 455 HD3 LYS 56 HD3 LYS 56 -4.431 -5.209 11.139 456 HE2 LYS 56 HE2 LYS 56 -4.238 -7.589 10.571 457 HE3 LYS 56 HE3 LYS 56 -4.456 -8.003 12.273 458 HZ1 LYS 56 HZ1 LYS 56 -6.424 -6.940 10.353 459 HZ2 LYS 56 HZ2 LYS 56 -6.621 -6.635 12.008 460 HZ3 LYS 56 HZ3 LYS 56 -6.570 -8.233 11.445 461 H GLY 57 H GLY 57 -0.816 -3.739 15.079 462 HA2 GLY 57 HA2 GLY 57 -0.558 -0.950 14.791 463 HA3 GLY 57 HA3 GLY 57 -0.322 -1.849 16.283 464 H LYS 58 H LYS 58 1.823 -3.484 15.174 465 HA LYS 58 HA LYS 58 4.072 -1.885 15.703 466 HB2 LYS 58 HB2 LYS 58 4.223 -4.254 16.009 467 HB3 LYS 58 HB3 LYS 58 3.778 -4.562 14.336 468 HG2 LYS 58 HG2 LYS 58 5.891 -3.528 13.613 469 HG3 LYS 58 HG3 LYS 58 6.343 -3.317 15.306 470 HD2 LYS 58 HD2 LYS 58 7.368 -5.319 14.290 471 HD3 LYS 58 HD3 LYS 58 6.311 -5.713 15.646 472 HE2 LYS 58 HE2 LYS 58 4.594 -6.477 14.203 473 HE3 LYS 58 HE3 LYS 58 5.392 -5.815 12.777 474 HZ1 LYS 58 HZ1 LYS 58 7.259 -7.409 13.301 475 HZ2 LYS 58 HZ2 LYS 58 5.818 -8.122 12.773 476 HZ3 LYS 58 HZ3 LYS 58 6.220 -8.146 14.422 477 H PHE 59 H PHE 59 2.641 -2.985 12.646 478 HA PHE 59 HA PHE 59 4.560 -1.734 10.981 479 HB2 PHE 59 HB2 PHE 59 1.708 -2.559 10.405 480 HB3 PHE 59 HB3 PHE 59 2.831 -1.982 9.180 481 HD1 PHE 59 HD2 PHE 59 5.116 -3.278 9.090 482 HD2 PHE 59 HD1 PHE 59 1.528 -4.827 10.760 483 HE1 PHE 59 HE2 PHE 59 5.983 -5.562 8.822 484 HE2 PHE 59 HE1 PHE 59 2.387 -7.116 10.498 485 HZ PHE 59 HZ PHE 59 4.618 -7.485 9.526 486 H GLU 60 H GLU 60 1.537 -0.651 12.419 487 HA GLU 60 HA GLU 60 1.394 1.818 11.030 488 HB2 GLU 60 HB2 GLU 60 -0.529 0.785 12.196 489 HB3 GLU 60 HB3 GLU 60 0.250 1.113 13.739 490 HG2 GLU 60 HG2 GLU 60 0.100 3.488 13.354 491 HG3 GLU 60 HG3 GLU 60 -0.556 3.217 11.740 492 H ASP 61 H ASP 61 2.940 0.809 14.032 493 HA ASP 61 HA ASP 61 3.748 3.362 14.918 494 HB2 ASP 61 HB2 ASP 61 3.857 1.375 16.365 495 HB3 ASP 61 HB3 ASP 61 5.112 0.693 15.335 496 H MET 62 H MET 62 5.283 0.985 12.809 497 HA MET 62 HA MET 62 7.638 2.521 12.373 498 HB2 MET 62 HB2 MET 62 6.433 0.245 10.794 499 HB3 MET 62 HB3 MET 62 8.010 0.955 10.456 500 HG2 MET 62 HG2 MET 62 8.700 0.351 12.768 501 HG3 MET 62 HG3 MET 62 7.166 -0.494 12.953 502 HE1 MET 62 HE1 MET 62 6.494 -2.670 11.539 503 HE2 MET 62 HE2 MET 62 7.488 -3.301 10.227 504 HE3 MET 62 HE3 MET 62 6.737 -1.712 10.079 505 H ALA 63 H ALA 63 4.481 2.394 10.880 506 HA ALA 63 HA ALA 63 5.013 3.888 8.568 507 HB1 ALA 63 HB1 ALA 63 2.877 2.743 8.965 508 HB2 ALA 63 HB2 ALA 63 2.641 4.444 8.563 509 HB3 ALA 63 HB3 ALA 63 2.495 3.905 10.236 510 H LYS 64 H LYS 64 4.222 4.860 11.860 511 HA LYS 64 HA LYS 64 4.259 7.647 11.423 512 HB2 LYS 64 HB2 LYS 64 4.883 6.093 13.940 513 HB3 LYS 64 HB3 LYS 64 4.562 7.819 13.866 514 HG2 LYS 64 HG2 LYS 64 2.307 7.355 13.046 515 HG3 LYS 64 HG3 LYS 64 2.629 5.627 13.154 516 HD2 LYS 64 HD2 LYS 64 1.412 6.241 15.105 517 HD3 LYS 64 HD3 LYS 64 3.081 5.958 15.598 518 HE2 LYS 64 HE2 LYS 64 2.093 8.713 14.930 519 HE3 LYS 64 HE3 LYS 64 1.858 8.020 16.532 520 HZ1 LYS 64 HZ1 LYS 64 4.507 8.309 15.217 521 HZ2 LYS 64 HZ2 LYS 64 4.208 7.833 16.815 522 HZ3 LYS 64 HZ3 LYS 64 3.870 9.419 16.325 523 H ALA 65 H ALA 65 6.752 5.280 11.990 524 HA ALA 65 HA ALA 65 8.851 7.036 12.678 525 HB1 ALA 65 HB1 ALA 65 8.987 4.642 13.091 526 HB2 ALA 65 HB2 ALA 65 10.348 5.184 12.108 527 HB3 ALA 65 HB3 ALA 65 9.000 4.330 11.355 528 H ASP 66 H ASP 66 8.052 5.520 9.528 529 HA ASP 66 HA ASP 66 9.987 7.027 8.091 530 HB2 ASP 66 HB2 ASP 66 9.066 4.931 7.174 531 HB3 ASP 66 HB3 ASP 66 7.482 5.690 7.023 532 H LYS 67 H LYS 67 6.620 7.545 8.909 533 HA LYS 67 HA LYS 67 6.052 9.722 7.276 534 HB2 LYS 67 HB2 LYS 67 4.400 8.490 8.644 535 HB3 LYS 67 HB3 LYS 67 5.071 9.217 10.092 536 HG2 LYS 67 HG2 LYS 67 4.065 10.970 7.907 537 HG3 LYS 67 HG3 LYS 67 2.919 10.180 8.988 538 HD2 LYS 67 HD2 LYS 67 4.084 11.191 10.914 539 HD3 LYS 67 HD3 LYS 67 5.176 12.010 9.796 540 HE2 LYS 67 HE2 LYS 67 3.397 13.498 10.549 541 HE3 LYS 67 HE3 LYS 67 3.298 13.203 8.814 542 HZ1 LYS 67 HZ1 LYS 67 1.122 13.098 9.842 543 HZ2 LYS 67 HZ2 LYS 67 1.646 11.883 10.901 544 HZ3 LYS 67 HZ3 LYS 67 1.553 11.572 9.238 545 H ALA 68 H ALA 68 7.522 9.700 10.522 546 HA ALA 68 HA ALA 68 7.745 12.550 10.666 547 HB1 ALA 68 HB1 ALA 68 9.223 10.422 12.222 548 HB2 ALA 68 HB2 ALA 68 7.675 11.138 12.670 549 HB3 ALA 68 HB3 ALA 68 9.130 12.134 12.634 550 H ARG 69 H ARG 69 9.900 9.938 9.655 551 HA ARG 69 HA ARG 69 12.175 11.571 9.227 552 HB2 ARG 69 HB2 ARG 69 12.149 9.043 9.320 553 HB3 ARG 69 HB3 ARG 69 11.459 9.064 7.702 554 HG2 ARG 69 HG2 ARG 69 13.443 10.241 6.877 555 HG3 ARG 69 HG3 ARG 69 14.136 10.187 8.500 556 HD2 ARG 69 HD2 ARG 69 13.945 7.696 8.403 557 HD3 ARG 69 HD3 ARG 69 13.470 7.854 6.715 558 HE ARG 69 HE ARG 69 15.952 9.165 7.309 559 HH11 ARG 69 HH11 ARG 69 14.436 6.157 6.363 560 HH12 ARG 69 HH12 ARG 69 15.918 5.433 5.818 561 HH21 ARG 69 HH21 ARG 69 17.919 8.206 6.573 562 HH22 ARG 69 HH22 ARG 69 17.885 6.596 5.917 563 H TYR 70 H TYR 70 9.520 10.501 7.177 564 HA TYR 70 HA TYR 70 10.070 11.623 4.752 565 HB2 TYR 70 HB2 TYR 70 8.132 10.230 5.182 566 HB3 TYR 70 HB3 TYR 70 7.463 11.426 6.277 567 HD1 TYR 70 HD1 TYR 70 6.643 13.607 5.322 568 HD2 TYR 70 HD2 TYR 70 7.666 10.275 2.896 569 HE1 TYR 70 HE1 TYR 70 5.330 14.557 3.490 570 HE2 TYR 70 HE2 TYR 70 6.372 11.223 1.039 571 HH TYR 70 HH TYR 70 4.494 12.794 0.714 572 H GLU 71 H GLU 71 8.576 13.168 7.565 573 HA GLU 71 HA GLU 71 8.017 15.666 6.570 574 HB2 GLU 71 HB2 GLU 71 8.963 14.818 9.309 575 HB3 GLU 71 HB3 GLU 71 8.341 16.409 8.958 576 HG2 GLU 71 HG2 GLU 71 6.208 15.371 8.238 577 HG3 GLU 71 HG3 GLU 71 6.854 13.811 8.753 578 H ARG 72 H ARG 72 11.061 14.624 8.136 579 HA ARG 72 HA ARG 72 12.280 17.185 7.596 580 HB2 ARG 72 HB2 ARG 72 13.304 14.654 8.865 581 HB3 ARG 72 HB3 ARG 72 14.370 16.005 8.510 582 HG2 ARG 72 HG2 ARG 72 13.792 16.287 10.749 583 HG3 ARG 72 HG3 ARG 72 12.748 17.421 9.890 584 HD2 ARG 72 HD2 ARG 72 11.049 15.463 9.900 585 HD3 ARG 72 HD3 ARG 72 12.062 14.809 11.186 586 HE ARG 72 HE ARG 72 11.534 17.411 11.915 587 HH11 ARG 72 HH11 ARG 72 9.750 14.477 11.302 588 HH12 ARG 72 HH12 ARG 72 8.349 14.970 12.203 589 HH21 ARG 72 HH21 ARG 72 9.701 18.097 13.115 590 HH22 ARG 72 HH22 ARG 72 8.326 17.034 13.252 591 H GLU 73 H GLU 73 12.302 13.984 6.213 592 HA GLU 73 HA GLU 73 14.589 14.211 4.609 593 HB2 GLU 73 HB2 GLU 73 13.196 12.128 5.101 594 HB3 GLU 73 HB3 GLU 73 12.097 12.689 3.850 595 HG2 GLU 73 HG2 GLU 73 13.538 11.104 2.855 596 HG3 GLU 73 HG3 GLU 73 14.035 12.692 2.270 597 H MET 74 H MET 74 11.182 14.962 3.942 598 HA MET 74 HA MET 74 11.666 15.696 1.245 599 HB2 MET 74 HB2 MET 74 9.328 16.211 3.065 600 HB3 MET 74 HB3 MET 74 9.362 16.688 1.374 601 HG2 MET 74 HG2 MET 74 9.728 13.856 2.314 602 HG3 MET 74 HG3 MET 74 8.172 14.543 1.864 603 HE1 MET 74 HE1 MET 74 11.504 13.096 -0.911 604 HE2 MET 74 HE2 MET 74 11.372 12.881 0.835 605 HE3 MET 74 HE3 MET 74 11.925 14.416 0.170 606 H LYS 75 H LYS 75 11.730 17.453 4.272 607 HA LYS 75 HA LYS 75 11.812 20.027 2.992 608 HB2 LYS 75 HB2 LYS 75 12.205 19.102 5.817 609 HB3 LYS 75 HB3 LYS 75 12.588 20.754 5.348 610 HG2 LYS 75 HG2 LYS 75 9.910 19.398 5.149 611 HG3 LYS 75 HG3 LYS 75 10.372 20.693 6.253 612 HD2 LYS 75 HD2 LYS 75 10.772 22.165 4.312 613 HD3 LYS 75 HD3 LYS 75 10.214 20.876 3.246 614 HE2 LYS 75 HE2 LYS 75 8.414 22.428 3.597 615 HE3 LYS 75 HE3 LYS 75 8.033 20.922 4.429 616 HZ1 LYS 75 HZ1 LYS 75 9.273 23.236 5.804 617 HZ2 LYS 75 HZ2 LYS 75 8.525 21.880 6.506 618 HZ3 LYS 75 HZ3 LYS 75 7.594 23.039 5.686 619 H THR 76 H THR 76 14.153 17.631 3.891 620 HA THR 76 HA THR 76 16.359 19.497 3.476 621 HB THR 76 HB THR 76 17.806 17.503 3.995 622 HG1 THR 76 HG1 THR 76 15.343 16.298 4.788 623 HG21 THR 76 HG21 THR 76 15.727 18.238 6.054 624 HG22 THR 76 HG22 THR 76 17.218 19.122 5.725 625 HG23 THR 76 HG23 THR 76 17.287 17.490 6.389 626 H TYR 77 H TYR 77 14.404 17.502 1.674 627 HA TYR 77 HA TYR 77 16.414 16.853 -0.329 628 HB2 TYR 77 HB2 TYR 77 14.606 15.226 0.329 629 HB3 TYR 77 HB3 TYR 77 13.428 16.325 -0.371 630 HD1 TYR 77 HD1 TYR 77 14.798 17.128 -2.886 631 HD2 TYR 77 HD2 TYR 77 14.497 13.315 -1.017 632 HE1 TYR 77 HE1 TYR 77 15.036 16.041 -5.073 633 HE2 TYR 77 HE2 TYR 77 14.760 12.222 -3.199 634 HH TYR 77 HH TYR 77 14.516 12.657 -5.522 635 H ILE 78 H ILE 78 16.947 18.409 -1.701 636 HA ILE 78 HA ILE 78 14.951 20.402 -2.492 637 HB ILE 78 HB ILE 78 17.923 20.246 -3.038 638 HG12 ILE 78 HG12 ILE 78 17.833 22.471 -1.726 639 HG13 ILE 78 HG13 ILE 78 16.237 21.948 -1.205 640 HG21 ILE 78 HG21 ILE 78 17.722 22.455 -4.071 641 HG22 ILE 78 HG22 ILE 78 15.970 22.392 -3.870 642 HG23 ILE 78 HG23 ILE 78 16.778 21.247 -4.942 643 HD11 ILE 78 HD11 ILE 78 18.823 20.486 -0.718 644 HD12 ILE 78 HD12 ILE 78 17.223 19.958 -0.195 645 HD13 ILE 78 HD13 ILE 78 17.922 21.439 0.460 646 HA PRO 79 HA PRO 79 14.546 17.787 -6.125 647 HB2 PRO 79 HB2 PRO 79 11.910 18.628 -6.515 648 HB3 PRO 79 HB3 PRO 79 12.417 17.181 -5.645 649 HG2 PRO 79 HG2 PRO 79 11.182 19.508 -4.575 650 HG3 PRO 79 HG3 PRO 79 11.784 18.098 -3.689 651 HD2 PRO 79 HD2 PRO 79 13.024 20.754 -4.062 652 HD3 PRO 79 HD3 PRO 79 13.294 19.545 -2.797 653 HA PRO 80 HA PRO 80 15.024 20.940 -9.273 654 HB2 PRO 80 HB2 PRO 80 13.975 18.923 -11.152 655 HB3 PRO 80 HB3 PRO 80 15.551 19.721 -11.134 656 HG2 PRO 80 HG2 PRO 80 15.264 17.130 -10.487 657 HG3 PRO 80 HG3 PRO 80 16.466 18.168 -9.699 658 HD2 PRO 80 HD2 PRO 80 13.793 17.261 -8.694 659 HD3 PRO 80 HD3 PRO 80 15.330 17.414 -7.819 660 H LYS 81 H LYS 81 13.628 22.476 -9.959 661 HA LYS 81 HA LYS 81 10.866 22.240 -9.384 662 HB2 LYS 81 HB2 LYS 81 12.515 24.324 -10.792 663 HB3 LYS 81 HB3 LYS 81 10.761 24.443 -10.747 664 HG2 LYS 81 HG2 LYS 81 11.606 25.775 -8.978 665 HG3 LYS 81 HG3 LYS 81 10.897 24.334 -8.252 666 HD2 LYS 81 HD2 LYS 81 12.930 24.694 -7.111 667 HD3 LYS 81 HD3 LYS 81 13.248 23.371 -8.234 668 HE2 LYS 81 HE2 LYS 81 15.105 24.847 -8.362 669 HE3 LYS 81 HE3 LYS 81 14.158 25.081 -9.831 670 HZ1 LYS 81 HZ1 LYS 81 14.094 26.833 -7.427 671 HZ2 LYS 81 HZ2 LYS 81 13.167 27.060 -8.828 672 HZ3 LYS 81 HZ3 LYS 81 14.858 27.190 -8.899 673 H GLY 82 H GLY 82 9.581 20.958 -10.460 674 HA2 GLY 82 HA2 GLY 82 8.363 20.881 -12.687 675 HA3 GLY 82 HA3 GLY 82 9.967 20.643 -13.373 676 H GLU 83 H GLU 83 8.585 19.333 -10.409 677 HA GLU 83 HA GLU 83 9.721 16.825 -10.567 678 HB2 GLU 83 HB2 GLU 83 7.030 17.348 -9.309 679 HB3 GLU 83 HB3 GLU 83 8.212 16.136 -8.845 680 HG2 GLU 83 HG2 GLU 83 8.464 17.724 -7.202 681 HG3 GLU 83 HG3 GLU 83 9.734 18.174 -8.339 682 H LEU 14 H LEU 14 -36.929 -16.256 17.582 683 HA LEU 14 HA LEU 14 -35.053 -16.359 15.523 684 HB2 LEU 14 HB2 LEU 14 -36.840 -13.929 15.478 685 HB3 LEU 14 HB3 LEU 14 -35.223 -13.914 14.810 686 HG LEU 14 HG LEU 14 -36.683 -14.224 12.986 687 HD11 LEU 14 HD11 LEU 14 -34.701 -15.645 12.970 688 HD12 LEU 14 HD12 LEU 14 -36.051 -16.396 12.119 689 HD13 LEU 14 HD13 LEU 14 -35.619 -16.936 13.743 690 HD21 LEU 14 HD21 LEU 14 -38.687 -14.853 14.208 691 HD22 LEU 14 HD22 LEU 14 -38.004 -16.443 14.541 692 HD23 LEU 14 HD23 LEU 14 -38.383 -15.975 12.883 693 H SER 15 H SER 15 -33.330 -14.625 15.821 694 HA SER 15 HA SER 15 -33.036 -14.103 18.683 695 HB2 SER 15 HB2 SER 15 -31.198 -15.256 17.439 696 HB3 SER 15 HB3 SER 15 -30.993 -13.800 16.466 697 HG SER 15 HG SER 15 -30.900 -12.926 18.890 698 H GLN 16 H GLN 16 -33.904 -12.570 15.805 699 HA GLN 16 HA GLN 16 -34.379 -10.425 15.215 700 HB2 GLN 16 HB2 GLN 16 -34.111 -9.767 18.154 701 HB3 GLN 16 HB3 GLN 16 -34.969 -8.836 16.942 702 HG2 GLN 16 HG2 GLN 16 -35.729 -11.563 17.955 703 HG3 GLN 16 HG3 GLN 16 -36.512 -10.039 18.363 704 HE21 GLN 16 HE21 GLN 16 -37.652 -12.409 17.192 705 HE22 GLN 16 HE22 GLN 16 -38.325 -11.927 15.669 706 H GLU 17 H GLU 17 -31.629 -11.369 15.346 707 HA GLU 17 HA GLU 17 -29.975 -9.391 16.566 708 HB2 GLU 17 HB2 GLU 17 -29.345 -11.758 16.346 709 HB3 GLU 17 HB3 GLU 17 -29.291 -11.578 14.599 710 HG2 GLU 17 HG2 GLU 17 -27.469 -9.952 14.847 711 HG3 GLU 17 HG3 GLU 17 -27.502 -10.210 16.593 712 H THR 18 H THR 18 -30.009 -10.401 13.146 713 HA THR 18 HA THR 18 -28.971 -7.784 12.417 714 HB THR 18 HB THR 18 -28.815 -8.920 10.115 715 HG1 THR 18 HG1 THR 18 -28.836 -11.375 11.444 716 HG21 THR 18 HG21 THR 18 -27.246 -10.017 12.456 717 HG22 THR 18 HG22 THR 18 -26.866 -8.566 11.527 718 HG23 THR 18 HG23 THR 18 -26.775 -10.153 10.760 719 H PHE 19 H PHE 19 -31.855 -8.400 13.157 720 HA PHE 19 HA PHE 19 -33.508 -8.368 10.907 721 HB2 PHE 19 HB2 PHE 19 -34.195 -8.856 13.264 722 HB3 PHE 19 HB3 PHE 19 -34.097 -7.133 13.601 723 HD1 PHE 19 HD2 PHE 19 -35.883 -9.696 11.646 724 HD2 PHE 19 HD1 PHE 19 -35.857 -5.671 13.014 725 HE1 PHE 19 HE2 PHE 19 -38.213 -9.437 10.905 726 HE2 PHE 19 HE1 PHE 19 -38.193 -5.400 12.275 727 HZ PHE 19 HZ PHE 19 -39.372 -7.289 11.218 728 H SER 20 H SER 20 -31.986 -5.741 12.684 729 HA SER 20 HA SER 20 -33.413 -3.656 11.355 730 HB2 SER 20 HB2 SER 20 -30.789 -3.481 12.847 731 HB3 SER 20 HB3 SER 20 -31.893 -2.152 12.494 732 HG SER 20 HG SER 20 -32.428 -4.410 14.144 733 H ASP 21 H ASP 21 -30.628 -5.534 10.556 734 HA ASP 21 HA ASP 21 -29.597 -3.531 8.704 735 HB2 ASP 21 HB2 ASP 21 -28.572 -6.263 9.498 736 HB3 ASP 21 HB3 ASP 21 -27.813 -5.263 8.265 737 H LEU 22 H LEU 22 -31.833 -6.008 8.667 738 HA LEU 22 HA LEU 22 -31.305 -7.290 6.229 739 HB2 LEU 22 HB2 LEU 22 -33.916 -6.894 7.682 740 HB3 LEU 22 HB3 LEU 22 -33.706 -7.954 6.301 741 HG LEU 22 HG LEU 22 -32.293 -8.254 8.952 742 HD11 LEU 22 HD11 LEU 22 -34.551 -9.851 7.751 743 HD12 LEU 22 HD12 LEU 22 -34.690 -8.726 9.102 744 HD13 LEU 22 HD13 LEU 22 -33.726 -10.192 9.272 745 HD21 LEU 22 HD21 LEU 22 -32.347 -10.045 6.524 746 HD22 LEU 22 HD22 LEU 22 -31.572 -10.414 8.065 747 HD23 LEU 22 HD23 LEU 22 -30.972 -9.084 7.074 748 H TRP 23 H TRP 23 -33.108 -4.327 6.925 749 HA TRP 23 HA TRP 23 -34.075 -4.255 4.173 750 HB2 TRP 23 HB2 TRP 23 -35.504 -2.430 4.866 751 HB3 TRP 23 HB3 TRP 23 -35.641 -3.744 6.028 752 HD1 TRP 23 HD1 TRP 23 -34.644 -3.319 8.487 753 HE1 TRP 23 HE1 TRP 23 -34.082 -1.149 9.755 754 HE3 TRP 23 HE3 TRP 23 -34.625 -0.066 4.547 755 HZ2 TRP 23 HZ2 TRP 23 -33.687 1.587 9.149 756 HZ3 TRP 23 HZ3 TRP 23 -34.148 2.306 4.974 757 HH2 TRP 23 HH2 TRP 23 -33.688 3.112 7.224 758 H LYS 24 H LYS 24 -31.280 -3.378 5.591 759 HA LYS 24 HA LYS 24 -31.028 -0.661 4.704 760 HB2 LYS 24 HB2 LYS 24 -29.003 -2.652 5.711 761 HB3 LYS 24 HB3 LYS 24 -28.608 -0.989 5.303 762 HG2 LYS 24 HG2 LYS 24 -30.091 -0.174 7.020 763 HG3 LYS 24 HG3 LYS 24 -30.616 -1.818 7.386 764 HD2 LYS 24 HD2 LYS 24 -28.273 -2.373 7.987 765 HD3 LYS 24 HD3 LYS 24 -27.848 -0.680 7.741 766 HE2 LYS 24 HE2 LYS 24 -30.028 -1.490 9.632 767 HE3 LYS 24 HE3 LYS 24 -28.339 -1.480 10.137 768 HZ1 LYS 24 HZ1 LYS 24 -29.907 0.844 9.147 769 HZ2 LYS 24 HZ2 LYS 24 -28.246 0.880 9.495 770 HZ3 LYS 24 HZ3 LYS 24 -29.365 0.579 10.731 771 H LEU 25 H LEU 25 -31.565 -2.947 2.751 772 HA LEU 25 HA LEU 25 -29.318 -2.830 0.955 773 HB2 LEU 25 HB2 LEU 25 -32.119 -3.889 0.558 774 HB3 LEU 25 HB3 LEU 25 -30.810 -4.065 -0.593 775 HG LEU 25 HG LEU 25 -30.886 -5.253 2.180 776 HD11 LEU 25 HD11 LEU 25 -31.109 -6.543 -0.534 777 HD12 LEU 25 HD12 LEU 25 -32.418 -6.342 0.633 778 HD13 LEU 25 HD13 LEU 25 -31.047 -7.386 1.013 779 HD21 LEU 25 HD21 LEU 25 -28.617 -4.671 1.537 780 HD22 LEU 25 HD22 LEU 25 -28.823 -5.499 -0.006 781 HD23 LEU 25 HD23 LEU 25 -28.839 -6.422 1.497 782 H LEU 26 H LEU 26 -32.301 -1.133 1.463 783 HA LEU 26 HA LEU 26 -31.972 0.345 -1.036 784 HB2 LEU 26 HB2 LEU 26 -34.152 1.423 -0.340 785 HB3 LEU 26 HB3 LEU 26 -34.218 -0.275 -0.760 786 HG LEU 26 HG LEU 26 -33.998 -0.600 1.851 787 HD11 LEU 26 HD11 LEU 26 -33.658 1.698 2.439 788 HD12 LEU 26 HD12 LEU 26 -35.232 1.178 3.043 789 HD13 LEU 26 HD13 LEU 26 -35.128 2.175 1.593 790 HD21 LEU 26 HD21 LEU 26 -36.450 -0.597 1.997 791 HD22 LEU 26 HD22 LEU 26 -35.866 -1.369 0.523 792 HD23 LEU 26 HD23 LEU 26 -36.527 0.265 0.458 793 HA PRO 27 HA PRO 27 -29.963 3.560 1.070 794 HB2 PRO 27 HB2 PRO 27 -30.521 5.489 -0.969 795 HB3 PRO 27 HB3 PRO 27 -29.072 4.504 -0.766 796 HG2 PRO 27 HG2 PRO 27 -30.873 4.247 -2.847 797 HG3 PRO 27 HG3 PRO 27 -29.749 2.983 -2.317 798 HD2 PRO 27 HD2 PRO 27 -32.660 3.311 -1.709 799 HD3 PRO 27 HD3 PRO 27 -31.731 1.828 -2.028 800 H GLU 28 H GLU 28 -31.480 3.795 2.787 801 HA GLU 28 HA GLU 28 -31.795 6.562 3.180 802 HB2 GLU 28 HB2 GLU 28 -34.191 6.661 3.716 803 HB3 GLU 28 HB3 GLU 28 -33.929 6.281 2.025 804 HG2 GLU 28 HG2 GLU 28 -34.509 3.999 2.366 805 HG3 GLU 28 HG3 GLU 28 -34.537 4.216 4.118 806 H ASN 29 H ASN 29 -30.244 4.770 4.348 807 HA ASN 29 HA ASN 29 -31.428 4.422 7.017 808 HB2 ASN 29 HB2 ASN 29 -30.275 2.271 7.277 809 HB3 ASN 29 HB3 ASN 29 -31.386 2.217 5.915 810 HD21 ASN 29 HD21 ASN 29 -30.569 1.994 3.838 811 HD22 ASN 29 HD22 ASN 29 -28.911 1.598 3.522 812 H ASN 30 H ASN 30 -28.517 4.692 5.059 813 HA ASN 30 HA ASN 30 -27.068 6.488 6.511 814 HB2 ASN 30 HB2 ASN 30 -27.232 4.766 8.383 815 HB3 ASN 30 HB3 ASN 30 -26.250 3.704 7.385 816 HD21 ASN 30 HD21 ASN 30 -24.071 4.167 7.088 817 HD22 ASN 30 HD22 ASN 30 -23.236 5.330 8.055 818 H VAL 31 H VAL 31 -27.080 3.467 4.790 819 HA VAL 31 HA VAL 31 -25.881 2.623 3.070 820 HB VAL 31 HB VAL 31 -24.673 5.394 2.862 821 HG11 VAL 31 HG11 VAL 31 -23.138 3.716 1.974 822 HG12 VAL 31 HG12 VAL 31 -23.840 4.672 0.668 823 HG13 VAL 31 HG13 VAL 31 -24.433 3.041 0.983 824 HG21 VAL 31 HG21 VAL 31 -26.101 5.579 0.868 825 HG22 VAL 31 HG22 VAL 31 -27.046 5.339 2.337 826 HG23 VAL 31 HG23 VAL 31 -26.787 3.994 1.225 827 H LEU 32 H LEU 32 -24.731 1.104 4.088 828 HA LEU 32 HA LEU 32 -22.391 1.798 5.631 829 HB2 LEU 32 HB2 LEU 32 -23.479 -0.909 4.849 830 HB3 LEU 32 HB3 LEU 32 -22.182 -0.625 5.993 831 HG LEU 32 HG LEU 32 -25.066 0.207 6.339 832 HD11 LEU 32 HD11 LEU 32 -23.409 -1.884 7.746 833 HD12 LEU 32 HD12 LEU 32 -24.714 -2.189 6.597 834 HD13 LEU 32 HD13 LEU 32 -25.068 -1.433 8.151 835 HD21 LEU 32 HD21 LEU 32 -22.717 0.537 8.202 836 HD22 LEU 32 HD22 LEU 32 -24.400 0.912 8.579 837 HD23 LEU 32 HD23 LEU 32 -23.548 1.834 7.340 838 H SER 33 H SER 33 -21.346 2.857 3.858 839 HA SER 33 HA SER 33 -20.479 1.369 1.573 840 HB2 SER 33 HB2 SER 33 -19.026 3.509 1.297 841 HB3 SER 33 HB3 SER 33 -20.780 3.655 1.155 842 HG SER 33 HG SER 33 -19.279 5.044 2.726 843 HA PRO 34 HA PRO 34 -16.964 -0.234 3.833 844 HB2 PRO 34 HB2 PRO 34 -16.433 -2.275 2.207 845 HB3 PRO 34 HB3 PRO 34 -17.891 -2.273 3.205 846 HG2 PRO 34 HG2 PRO 34 -17.584 -1.700 0.294 847 HG3 PRO 34 HG3 PRO 34 -18.885 -2.555 1.141 848 HD2 PRO 34 HD2 PRO 34 -18.943 0.122 0.326 849 HD3 PRO 34 HD3 PRO 34 -20.035 -0.629 1.505 850 H LEU 35 H LEU 35 -14.739 -1.151 2.934 851 HA LEU 35 HA LEU 35 -13.489 0.981 1.434 852 HB2 LEU 35 HB2 LEU 35 -12.379 -0.234 3.338 853 HB3 LEU 35 HB3 LEU 35 -12.334 -1.671 2.338 854 HG LEU 35 HG LEU 35 -10.973 -0.268 0.679 855 HD11 LEU 35 HD11 LEU 35 -10.609 1.438 3.139 856 HD12 LEU 35 HD12 LEU 35 -11.495 1.915 1.691 857 HD13 LEU 35 HD13 LEU 35 -9.760 1.615 1.602 858 HD21 LEU 35 HD21 LEU 35 -10.045 -2.072 2.049 859 HD22 LEU 35 HD22 LEU 35 -9.797 -0.936 3.376 860 HD23 LEU 35 HD23 LEU 35 -8.900 -0.742 1.869 861 HA PRO 36 HA PRO 36 -14.365 -0.755 -2.526 862 HB2 PRO 36 HB2 PRO 36 -12.227 0.462 -3.838 863 HB3 PRO 36 HB3 PRO 36 -13.829 1.163 -3.608 864 HG2 PRO 36 HG2 PRO 36 -11.309 1.680 -2.140 865 HG3 PRO 36 HG3 PRO 36 -12.671 2.765 -2.465 866 HD2 PRO 36 HD2 PRO 36 -12.201 1.617 -0.038 867 HD3 PRO 36 HD3 PRO 36 -13.817 2.076 -0.594 868 H SER 37 H SER 37 -13.954 -2.851 -2.727 869 HA SER 37 HA SER 37 -11.169 -3.776 -2.410 870 HB2 SER 37 HB2 SER 37 -13.721 -5.317 -1.886 871 HB3 SER 37 HB3 SER 37 -12.078 -5.859 -1.548 872 HG SER 37 HG SER 37 -13.087 -3.468 -0.420 873 H GLN 38 H GLN 38 -12.599 -2.897 -4.888 874 HA GLN 38 HA GLN 38 -13.107 -5.235 -6.434 875 HB2 GLN 38 HB2 GLN 38 -13.312 -3.787 -8.332 876 HB3 GLN 38 HB3 GLN 38 -14.066 -2.993 -6.960 877 HG2 GLN 38 HG2 GLN 38 -11.280 -2.383 -7.914 878 HG3 GLN 38 HG3 GLN 38 -12.715 -1.516 -8.456 879 HE21 GLN 38 HE21 GLN 38 -10.374 -0.552 -7.022 880 HE22 GLN 38 HE22 GLN 38 -10.964 0.159 -5.560 881 H ALA 39 H ALA 39 -10.261 -3.538 -5.550 882 HA ALA 39 HA ALA 39 -8.707 -4.822 -7.684 883 HB1 ALA 39 HB1 ALA 39 -8.403 -2.410 -7.456 884 HB2 ALA 39 HB2 ALA 39 -6.916 -3.280 -7.079 885 HB3 ALA 39 HB3 ALA 39 -7.911 -2.629 -5.776 886 H MET 40 H MET 40 -7.173 -6.317 -7.250 887 HA MET 40 HA MET 40 -6.729 -7.013 -4.427 888 HB2 MET 40 HB2 MET 40 -7.799 -8.803 -5.741 889 HB3 MET 40 HB3 MET 40 -6.446 -8.771 -6.866 890 HG2 MET 40 HG2 MET 40 -4.935 -9.499 -5.141 891 HG3 MET 40 HG3 MET 40 -6.220 -9.414 -3.941 892 HE1 MET 40 HE1 MET 40 -8.686 -10.597 -5.549 893 HE2 MET 40 HE2 MET 40 -8.306 -11.063 -3.892 894 HE3 MET 40 HE3 MET 40 -8.595 -12.303 -5.112 895 H ASP 41 H ASP 41 -5.254 -6.510 -7.526 896 HA ASP 41 HA ASP 41 -2.551 -6.889 -6.719 897 HB2 ASP 41 HB2 ASP 41 -3.230 -7.000 -9.074 898 HB3 ASP 41 HB3 ASP 41 -3.737 -5.318 -9.028 899 H ASP 42 H ASP 42 -4.638 -4.090 -7.132 900 HA ASP 42 HA ASP 42 -2.657 -2.256 -6.046 901 HB2 ASP 42 HB2 ASP 42 -4.127 -1.714 -8.021 902 HB3 ASP 42 HB3 ASP 42 -5.508 -1.726 -6.931 903 H LEU 43 H LEU 43 -3.878 -4.402 -4.404 904 HA LEU 43 HA LEU 43 -5.879 -3.387 -2.697 905 HB2 LEU 43 HB2 LEU 43 -4.468 -5.796 -2.990 906 HB3 LEU 43 HB3 LEU 43 -4.140 -5.263 -1.354 907 HG LEU 43 HG LEU 43 -6.865 -5.766 -2.559 908 HD11 LEU 43 HD11 LEU 43 -6.969 -7.577 -0.888 909 HD12 LEU 43 HD12 LEU 43 -5.301 -7.228 -0.430 910 HD13 LEU 43 HD13 LEU 43 -5.664 -7.813 -2.053 911 HD21 LEU 43 HD21 LEU 43 -6.964 -3.903 -1.005 912 HD22 LEU 43 HD22 LEU 43 -6.113 -4.852 0.215 913 HD23 LEU 43 HD23 LEU 43 -7.731 -5.327 -0.307 914 H MET 44 H MET 44 -2.358 -3.223 -2.555 915 HA MET 44 HA MET 44 -2.608 -1.508 -0.187 916 HB2 MET 44 HB2 MET 44 -1.023 -3.996 -0.504 917 HB3 MET 44 HB3 MET 44 -0.297 -2.682 0.415 918 HG2 MET 44 HG2 MET 44 -1.905 -2.756 2.057 919 HG3 MET 44 HG3 MET 44 -3.084 -3.554 1.018 920 HE1 MET 44 HE1 MET 44 -3.373 -6.114 0.819 921 HE2 MET 44 HE2 MET 44 -2.052 -7.253 1.089 922 HE3 MET 44 HE3 MET 44 -1.918 -6.029 -0.176 923 H LEU 45 H LEU 45 0.114 -2.686 -2.151 924 HA LEU 45 HA LEU 45 1.143 0.031 -2.213 925 HB2 LEU 45 HB2 LEU 45 2.363 -2.577 -3.157 926 HB3 LEU 45 HB3 LEU 45 3.155 -1.018 -3.280 927 HG LEU 45 HG LEU 45 2.449 -2.509 -0.752 928 HD11 LEU 45 HD11 LEU 45 4.792 -2.593 -0.336 929 HD12 LEU 45 HD12 LEU 45 5.137 -1.533 -1.698 930 HD13 LEU 45 HD13 LEU 45 4.536 -3.168 -1.981 931 HD21 LEU 45 HD21 LEU 45 3.384 -0.630 0.468 932 HD22 LEU 45 HD22 LEU 45 1.972 -0.140 -0.469 933 HD23 LEU 45 HD23 LEU 45 3.589 0.253 -1.041 934 H SER 46 H SER 46 0.160 1.262 -3.685 935 HA SER 46 HA SER 46 -0.897 0.279 -6.137 936 HB2 SER 46 HB2 SER 46 -0.438 3.093 -5.127 937 HB3 SER 46 HB3 SER 46 -1.287 2.710 -6.626 938 HG SER 46 HG SER 46 -2.806 1.538 -5.391 939 HA PRO 47 HA PRO 47 3.005 -0.242 -8.187 940 HB2 PRO 47 HB2 PRO 47 1.136 -0.080 -10.516 941 HB3 PRO 47 HB3 PRO 47 2.427 -1.242 -10.188 942 HG2 PRO 47 HG2 PRO 47 -0.088 -1.926 -9.746 943 HG3 PRO 47 HG3 PRO 47 1.174 -2.381 -8.585 944 HD2 PRO 47 HD2 PRO 47 -0.896 -0.243 -8.400 945 HD3 PRO 47 HD3 PRO 47 -0.224 -1.278 -7.125 946 H ASP 48 H ASP 48 0.753 2.305 -9.172 947 HA ASP 48 HA ASP 48 2.575 3.512 -11.000 948 HB2 ASP 48 HB2 ASP 48 0.963 5.327 -11.151 949 HB3 ASP 48 HB3 ASP 48 0.131 3.776 -11.200 950 H ASP 49 H ASP 49 1.742 4.137 -7.611 951 HA ASP 49 HA ASP 49 3.458 6.503 -7.610 952 HB2 ASP 49 HB2 ASP 49 1.198 6.520 -6.513 953 HB3 ASP 49 HB3 ASP 49 1.828 5.382 -5.327 954 H ILE 50 H ILE 50 3.354 3.253 -6.350 955 HA ILE 50 HA ILE 50 5.459 3.570 -4.438 956 HB ILE 50 HB ILE 50 5.429 1.154 -4.258 957 HG12 ILE 50 HG12 ILE 50 3.624 1.268 -6.687 958 HG13 ILE 50 HG13 ILE 50 5.251 0.604 -6.636 959 HG21 ILE 50 HG21 ILE 50 3.696 2.443 -3.140 960 HG22 ILE 50 HG22 ILE 50 3.099 0.857 -3.632 961 HG23 ILE 50 HG23 ILE 50 2.665 2.291 -4.562 962 HD11 ILE 50 HD11 ILE 50 4.467 -1.133 -5.094 963 HD12 ILE 50 HD12 ILE 50 3.625 -1.164 -6.643 964 HD13 ILE 50 HD13 ILE 50 2.832 -0.483 -5.222 965 H GLU 51 H GLU 51 5.380 3.269 -7.788 966 HA GLU 51 HA GLU 51 7.249 1.417 -8.457 967 HB2 GLU 51 HB2 GLU 51 5.843 2.557 -10.076 968 HB3 GLU 51 HB3 GLU 51 6.699 4.067 -9.795 969 HG2 GLU 51 HG2 GLU 51 8.753 3.015 -10.680 970 HG3 GLU 51 HG3 GLU 51 7.812 1.568 -11.045 971 H GLN 52 H GLN 52 7.804 4.704 -7.432 972 HA GLN 52 HA GLN 52 10.475 4.988 -8.144 973 HB2 GLN 52 HB2 GLN 52 10.508 6.743 -6.311 974 HB3 GLN 52 HB3 GLN 52 9.301 6.936 -7.573 975 HG2 GLN 52 HG2 GLN 52 7.612 5.955 -6.070 976 HG3 GLN 52 HG3 GLN 52 8.832 5.852 -4.809 977 HE21 GLN 52 HE21 GLN 52 6.300 7.311 -4.950 978 HE22 GLN 52 HE22 GLN 52 6.687 8.969 -4.642 979 H TRP 53 H TRP 53 9.139 3.208 -5.418 980 HA TRP 53 HA TRP 53 11.909 2.566 -4.712 981 HB2 TRP 53 HB2 TRP 53 10.965 2.238 -2.299 982 HB3 TRP 53 HB3 TRP 53 11.501 3.817 -2.858 983 HD1 TRP 53 HD1 TRP 53 9.720 5.701 -3.073 984 HE1 TRP 53 HE1 TRP 53 7.270 5.899 -2.357 985 HE3 TRP 53 HE3 TRP 53 8.784 0.791 -2.003 986 HZ2 TRP 53 HZ2 TRP 53 5.208 4.215 -1.426 987 HZ3 TRP 53 HZ3 TRP 53 6.544 0.173 -1.186 988 HH2 TRP 53 HH2 TRP 53 4.801 1.857 -0.905 989 H PHE 54 H PHE 54 8.745 1.386 -5.333 990 HA PHE 54 HA PHE 54 9.172 -1.197 -4.126 991 HB2 PHE 54 HB2 PHE 54 6.881 -0.269 -4.481 992 HB3 PHE 54 HB3 PHE 54 7.126 -0.387 -6.214 993 HD1 PHE 54 HD2 PHE 54 7.988 -2.911 -6.896 994 HD2 PHE 54 HD1 PHE 54 5.518 -1.901 -3.566 995 HE1 PHE 54 HE2 PHE 54 7.079 -5.192 -6.880 996 HE2 PHE 54 HE1 PHE 54 4.615 -4.187 -3.564 997 HZ PHE 54 HZ PHE 54 5.392 -5.831 -5.215 998 H THR 55 H THR 55 9.236 0.136 -7.393 999 HA THR 55 HA THR 55 10.205 -2.451 -8.379 1000 HB THR 55 HB THR 55 9.073 -0.291 -10.133 1001 HG1 THR 55 HG1 THR 55 6.998 -1.249 -9.781 1002 HG21 THR 55 HG21 THR 55 8.399 -2.200 -11.501 1003 HG22 THR 55 HG22 THR 55 9.034 -3.307 -10.283 1004 HG23 THR 55 HG23 THR 55 10.131 -2.247 -11.170 1005 H GLU 56 H GLU 56 12.030 -2.535 -9.643 1006 HA GLU 56 HA GLU 56 13.898 -0.405 -9.568 1007 HB2 GLU 56 HB2 GLU 56 13.784 -2.959 -11.184 1008 HB3 GLU 56 HB3 GLU 56 15.149 -1.851 -11.222 1009 HG2 GLU 56 HG2 GLU 56 15.571 -2.207 -8.883 1010 HG3 GLU 56 HG3 GLU 56 14.127 -3.204 -8.735 1011 H ASP 57 H ASP 57 14.178 1.252 -10.949 1012 HA ASP 57 HA ASP 57 12.065 2.028 -12.596 1013 HB2 ASP 57 HB2 ASP 57 13.727 3.548 -11.522 1014 HB3 ASP 57 HB3 ASP 57 14.895 3.081 -12.753 1015 HA PRO 58 HA PRO 58 12.678 -0.323 -16.251 1016 HB2 PRO 58 HB2 PRO 58 11.152 1.189 -17.928 1017 HB3 PRO 58 HB3 PRO 58 10.478 0.094 -16.716 1018 HG2 PRO 58 HG2 PRO 58 10.886 3.062 -16.565 1019 HG3 PRO 58 HG3 PRO 58 9.478 2.101 -16.072 1020 HD2 PRO 58 HD2 PRO 58 11.284 2.983 -14.279 1021 HD3 PRO 58 HD3 PRO 58 10.488 1.402 -14.107 1022 H GLY 59 H GLY 59 13.731 2.981 -16.011 1023 HA2 GLY 59 HA2 GLY 59 15.368 2.558 -18.421 1024 HA3 GLY 59 HA3 GLY 59 14.420 4.022 -18.286 1025 HA PRO 60 HA PRO 60 18.331 4.012 -15.328 1026 HB2 PRO 60 HB2 PRO 60 20.224 3.186 -17.431 1027 HB3 PRO 60 HB3 PRO 60 20.110 2.651 -15.753 1028 HG2 PRO 60 HG2 PRO 60 19.411 1.047 -17.792 1029 HG3 PRO 60 HG3 PRO 60 18.556 1.013 -16.237 1030 HD2 PRO 60 HD2 PRO 60 17.749 2.316 -18.814 1031 HD3 PRO 60 HD3 PRO 60 16.756 1.407 -17.656 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 25.038 -0.519 -6.651 2 H2 GLY 1 HT2 GLY 1 25.908 0.590 -5.707 3 H3 GLY 1 HT3 GLY 1 25.989 0.670 -7.397 4 HA2 GLY 1 HA3 GLY 1 24.557 2.398 -6.438 5 HA3 GLY 1 HA2 GLY 1 23.719 1.334 -7.560 6 H LYS 2 H LYS 2 22.417 2.879 -5.607 7 HA LYS 2 HA LYS 2 20.819 0.821 -4.429 8 HB2 LYS 2 HB2 LYS 2 21.050 1.461 -2.094 9 HB3 LYS 2 HB3 LYS 2 22.604 0.949 -2.735 10 HG2 LYS 2 HG2 LYS 2 23.367 3.213 -2.880 11 HG3 LYS 2 HG3 LYS 2 21.766 3.828 -2.464 12 HD2 LYS 2 HD2 LYS 2 21.940 2.751 -0.263 13 HD3 LYS 2 HD3 LYS 2 23.553 2.176 -0.681 14 HE2 LYS 2 HE2 LYS 2 22.771 5.083 -0.624 15 HE3 LYS 2 HE3 LYS 2 23.501 4.237 0.740 16 HZ1 LYS 2 HZ1 LYS 2 24.716 4.669 -1.939 17 HZ2 LYS 2 HZ2 LYS 2 25.406 3.717 -0.716 18 HZ3 LYS 2 HZ3 LYS 2 25.195 5.383 -0.473 19 H GLY 3 H GLY 3 21.177 3.755 -5.795 20 HA2 GLY 3 HA2 GLY 3 19.573 5.369 -6.262 21 HA3 GLY 3 HA3 GLY 3 18.509 4.614 -5.082 22 H ASP 4 H ASP 4 17.992 6.682 -4.211 23 HA ASP 4 HA ASP 4 20.199 8.001 -2.786 24 HB2 ASP 4 HB2 ASP 4 18.649 9.322 -4.334 25 HB3 ASP 4 HB3 ASP 4 17.401 9.080 -3.115 26 HA PRO 5 HA PRO 5 18.605 5.997 0.810 27 HB2 PRO 5 HB2 PRO 5 20.405 6.891 2.587 28 HB3 PRO 5 HB3 PRO 5 20.840 5.743 1.314 29 HG2 PRO 5 HG2 PRO 5 21.296 8.697 1.441 30 HG3 PRO 5 HG3 PRO 5 22.376 7.418 0.860 31 HD2 PRO 5 HD2 PRO 5 20.842 9.014 -0.773 32 HD3 PRO 5 HD3 PRO 5 21.435 7.404 -1.218 33 H LYS 6 H LYS 6 17.854 9.000 0.072 34 HA LYS 6 HA LYS 6 16.711 9.525 2.737 35 HB2 LYS 6 HB2 LYS 6 17.466 11.586 0.658 36 HB3 LYS 6 HB3 LYS 6 16.680 11.925 2.192 37 HG2 LYS 6 HG2 LYS 6 18.763 10.748 3.210 38 HG3 LYS 6 HG3 LYS 6 19.496 11.112 1.648 39 HD2 LYS 6 HD2 LYS 6 18.336 13.054 3.638 40 HD3 LYS 6 HD3 LYS 6 20.016 12.922 3.118 41 HE2 LYS 6 HE2 LYS 6 19.416 13.653 0.888 42 HE3 LYS 6 HE3 LYS 6 17.711 13.688 1.332 43 HZ1 LYS 6 HZ1 LYS 6 18.249 15.413 2.977 44 HZ2 LYS 6 HZ2 LYS 6 18.609 15.896 1.391 45 HZ3 LYS 6 HZ3 LYS 6 19.856 15.423 2.438 46 H LYS 7 H LYS 7 15.716 7.947 0.478 47 HA LYS 7 HA LYS 7 13.424 9.481 -0.439 48 HB2 LYS 7 HB2 LYS 7 14.560 6.797 -1.106 49 HB3 LYS 7 HB3 LYS 7 12.878 7.140 -1.486 50 HG2 LYS 7 HG2 LYS 7 13.522 8.994 -2.877 51 HG3 LYS 7 HG3 LYS 7 15.215 8.791 -2.422 52 HD2 LYS 7 HD2 LYS 7 15.392 6.753 -3.586 53 HD3 LYS 7 HD3 LYS 7 13.638 6.593 -3.729 54 HE2 LYS 7 HE2 LYS 7 15.225 8.802 -5.025 55 HE3 LYS 7 HE3 LYS 7 14.831 7.283 -5.834 56 HZ1 LYS 7 HZ1 LYS 7 12.971 9.391 -4.895 57 HZ2 LYS 7 HZ2 LYS 7 12.440 7.836 -5.300 58 HZ3 LYS 7 HZ3 LYS 7 13.175 8.803 -6.472 59 HA PRO 8 HA PRO 8 10.951 7.575 2.803 60 HB2 PRO 8 HB2 PRO 8 9.078 9.502 2.895 61 HB3 PRO 8 HB3 PRO 8 10.667 9.710 3.640 62 HG2 PRO 8 HG2 PRO 8 9.572 10.914 1.167 63 HG3 PRO 8 HG3 PRO 8 10.829 11.521 2.255 64 HD2 PRO 8 HD2 PRO 8 11.185 10.172 -0.232 65 HD3 PRO 8 HD3 PRO 8 12.439 10.693 0.907 66 H ARG 9 H ARG 9 8.888 6.547 2.761 67 HA ARG 9 HA ARG 9 8.026 5.928 0.069 68 HB2 ARG 9 HB2 ARG 9 7.500 4.807 2.781 69 HB3 ARG 9 HB3 ARG 9 6.387 4.429 1.469 70 HG2 ARG 9 HG2 ARG 9 7.882 3.149 0.379 71 HG3 ARG 9 HG3 ARG 9 9.264 4.109 0.903 72 HD2 ARG 9 HD2 ARG 9 7.705 2.204 2.647 73 HD3 ARG 9 HD3 ARG 9 9.254 1.850 1.877 74 HE ARG 9 HE ARG 9 8.939 4.046 3.830 75 HH11 ARG 9 HH11 ARG 9 10.655 1.256 2.575 76 HH12 ARG 9 HH12 ARG 9 11.971 1.401 3.695 77 HH21 ARG 9 HH21 ARG 9 10.690 4.289 5.261 78 HH22 ARG 9 HH22 ARG 9 11.998 3.134 5.233 79 H GLY 10 H GLY 10 6.926 7.764 2.767 80 HA2 GLY 10 HA2 GLY 10 5.645 9.751 2.061 81 HA3 GLY 10 HA3 GLY 10 4.675 8.660 1.084 82 H LYS 11 H LYS 11 2.717 8.787 1.933 83 HA LYS 11 HA LYS 11 2.374 8.894 4.824 84 HB2 LYS 11 HB2 LYS 11 0.363 9.162 2.580 85 HB3 LYS 11 HB3 LYS 11 0.026 9.409 4.289 86 HG2 LYS 11 HG2 LYS 11 1.546 11.295 4.346 87 HG3 LYS 11 HG3 LYS 11 1.971 11.022 2.656 88 HD2 LYS 11 HD2 LYS 11 0.362 12.822 2.835 89 HD3 LYS 11 HD3 LYS 11 -0.364 11.446 2.015 90 HE2 LYS 11 HE2 LYS 11 -1.411 10.803 4.132 91 HE3 LYS 11 HE3 LYS 11 -0.731 12.226 4.903 92 HZ1 LYS 11 HZ1 LYS 11 -2.589 12.290 2.582 93 HZ2 LYS 11 HZ2 LYS 11 -2.017 13.624 3.464 94 HZ3 LYS 11 HZ3 LYS 11 -3.061 12.510 4.197 95 H MET 12 H MET 12 3.202 6.477 3.286 96 HA MET 12 HA MET 12 1.121 4.618 3.093 97 HB2 MET 12 HB2 MET 12 4.071 4.226 3.570 98 HB3 MET 12 HB3 MET 12 2.951 2.904 3.279 99 HG2 MET 12 HG2 MET 12 2.388 3.891 1.097 100 HG3 MET 12 HG3 MET 12 3.578 5.158 1.388 101 HE1 MET 12 HE1 MET 12 3.050 1.286 1.038 102 HE2 MET 12 HE2 MET 12 4.007 1.429 2.514 103 HE3 MET 12 HE3 MET 12 4.715 0.705 1.071 104 H SER 13 H SER 13 -0.175 3.998 4.648 105 HA SER 13 HA SER 13 0.651 4.130 7.415 106 HB2 SER 13 HB2 SER 13 -1.621 4.872 6.614 107 HB3 SER 13 HB3 SER 13 -1.996 3.176 6.295 108 HG SER 13 HG SER 13 -2.634 4.125 8.413 109 H SER 14 H SER 14 -0.674 2.092 8.598 110 HA SER 14 HA SER 14 1.288 0.148 8.704 111 HB2 SER 14 HB2 SER 14 -0.552 -1.176 9.932 112 HB3 SER 14 HB3 SER 14 -0.110 0.407 10.580 113 HG SER 14 HG SER 14 -2.447 -0.062 10.299 114 H TYR 15 H TYR 15 -1.726 0.122 6.869 115 HA TYR 15 HA TYR 15 -1.785 -2.589 6.191 116 HB2 TYR 15 HB2 TYR 15 -3.595 -0.799 5.909 117 HB3 TYR 15 HB3 TYR 15 -2.776 -0.354 4.419 118 HD1 TYR 15 HD2 TYR 15 -2.575 -3.856 5.065 119 HD2 TYR 15 HD1 TYR 15 -5.126 -0.839 3.501 120 HE1 TYR 15 HE2 TYR 15 -3.861 -5.572 3.865 121 HE2 TYR 15 HE1 TYR 15 -6.422 -2.549 2.301 122 HH TYR 15 HH TYR 15 -6.241 -4.755 1.489 123 H ALA 16 H ALA 16 -0.770 0.111 4.054 124 HA ALA 16 HA ALA 16 0.418 -1.633 2.155 125 HB1 ALA 16 HB1 ALA 16 -0.403 0.604 1.559 126 HB2 ALA 16 HB2 ALA 16 1.278 0.358 1.079 127 HB3 ALA 16 HB3 ALA 16 0.900 1.324 2.509 128 H PHE 17 H PHE 17 1.592 -0.077 5.039 129 HA PHE 17 HA PHE 17 4.356 -0.296 4.410 130 HB2 PHE 17 HB2 PHE 17 2.914 0.939 6.414 131 HB3 PHE 17 HB3 PHE 17 3.754 -0.359 7.265 132 HD1 PHE 17 HD1 PHE 17 4.210 2.555 5.076 133 HD2 PHE 17 HD2 PHE 17 6.079 -0.254 7.662 134 HE1 PHE 17 HE1 PHE 17 6.267 3.884 5.009 135 HE2 PHE 17 HE2 PHE 17 8.151 1.072 7.611 136 HZ PHE 17 HZ PHE 17 8.249 3.144 6.283 137 H PHE 18 H PHE 18 2.069 -2.352 6.143 138 HA PHE 18 HA PHE 18 3.780 -4.309 7.094 139 HB2 PHE 18 HB2 PHE 18 1.703 -4.859 7.798 140 HB3 PHE 18 HB3 PHE 18 0.930 -4.130 6.396 141 HD1 PHE 18 HD1 PHE 18 2.682 -7.183 7.570 142 HD2 PHE 18 HD2 PHE 18 0.114 -5.444 4.654 143 HE1 PHE 18 HE1 PHE 18 2.208 -9.418 6.657 144 HE2 PHE 18 HE2 PHE 18 -0.362 -7.673 3.738 145 HZ PHE 18 HZ PHE 18 0.685 -9.661 4.733 146 H VAL 19 H VAL 19 2.277 -4.055 3.886 147 HA VAL 19 HA VAL 19 3.481 -6.368 2.801 148 HB VAL 19 HB VAL 19 3.216 -4.174 0.885 149 HG11 VAL 19 HG11 VAL 19 3.401 -6.401 0.105 150 HG12 VAL 19 HG12 VAL 19 1.750 -5.865 -0.228 151 HG13 VAL 19 HG13 VAL 19 2.074 -6.942 1.135 152 HG21 VAL 19 HG21 VAL 19 1.528 -3.337 2.296 153 HG22 VAL 19 HG22 VAL 19 0.873 -4.949 2.583 154 HG23 VAL 19 HG23 VAL 19 0.726 -4.210 0.991 155 H GLN 20 H GLN 20 4.417 -2.955 2.634 156 HA GLN 20 HA GLN 20 6.623 -3.286 0.963 157 HB2 GLN 20 HB2 GLN 20 5.567 -1.124 1.365 158 HB3 GLN 20 HB3 GLN 20 6.123 -1.148 3.035 159 HG2 GLN 20 HG2 GLN 20 7.577 0.260 1.812 160 HG3 GLN 20 HG3 GLN 20 8.450 -1.226 2.182 161 HE21 GLN 20 HE21 GLN 20 7.095 0.754 -0.282 162 HE22 GLN 20 HE22 GLN 20 7.746 -0.108 -1.627 163 H THR 21 H THR 21 6.470 -3.198 4.519 164 HA THR 21 HA THR 21 9.249 -3.194 4.905 165 HB THR 21 HB THR 21 7.670 -2.595 6.694 166 HG1 THR 21 HG1 THR 21 9.801 -3.272 7.251 167 HG21 THR 21 HG21 THR 21 6.515 -4.327 7.962 168 HG22 THR 21 HG22 THR 21 7.116 -5.558 6.853 169 HG23 THR 21 HG23 THR 21 5.985 -4.333 6.279 170 H CYS 22 H CYS 22 6.986 -5.842 4.370 171 HA CYS 22 HA CYS 22 9.031 -7.841 4.873 172 HB2 CYS 22 HB2 CYS 22 6.294 -8.223 3.644 173 HB3 CYS 22 HB3 CYS 22 7.324 -9.460 4.359 174 HG CYS 22 HG CYS 22 5.308 -7.211 5.878 175 H ARG 23 H ARG 23 7.424 -6.317 2.174 176 HA ARG 23 HA ARG 23 8.340 -8.001 0.100 177 HB2 ARG 23 HB2 ARG 23 6.453 -6.166 0.227 178 HB3 ARG 23 HB3 ARG 23 7.734 -5.097 -0.319 179 HG2 ARG 23 HG2 ARG 23 7.954 -6.211 -2.357 180 HG3 ARG 23 HG3 ARG 23 7.068 -7.624 -1.775 181 HD2 ARG 23 HD2 ARG 23 5.074 -6.074 -1.500 182 HD3 ARG 23 HD3 ARG 23 5.982 -4.892 -2.446 183 HE ARG 23 HE ARG 23 6.084 -7.001 -4.054 184 HH11 ARG 23 HH11 ARG 23 3.384 -5.681 -2.271 185 HH12 ARG 23 HH12 ARG 23 2.189 -6.206 -3.418 186 HH21 ARG 23 HH21 ARG 23 4.519 -7.691 -5.587 187 HH22 ARG 23 HH22 ARG 23 2.844 -7.329 -5.319 188 H GLU 24 H GLU 24 9.463 -4.843 1.272 189 HA GLU 24 HA GLU 24 11.721 -4.766 -0.467 190 HB2 GLU 24 HB2 GLU 24 10.850 -2.677 0.226 191 HB3 GLU 24 HB3 GLU 24 10.885 -3.128 1.924 192 HG2 GLU 24 HG2 GLU 24 13.384 -3.188 1.757 193 HG3 GLU 24 HG3 GLU 24 13.230 -2.538 0.126 194 H GLU 25 H GLU 25 11.157 -5.877 2.836 195 HA GLU 25 HA GLU 25 13.802 -6.248 3.663 196 HB2 GLU 25 HB2 GLU 25 11.768 -6.594 5.079 197 HB3 GLU 25 HB3 GLU 25 11.471 -8.096 4.222 198 HG2 GLU 25 HG2 GLU 25 12.496 -8.632 6.275 199 HG3 GLU 25 HG3 GLU 25 13.691 -8.898 5.008 200 H HIS 26 H HIS 26 11.639 -8.455 1.929 201 HA HIS 26 HA HIS 26 13.570 -10.482 1.489 202 HB2 HIS 26 HB2 HIS 26 11.153 -10.904 1.339 203 HB3 HIS 26 HB3 HIS 26 11.046 -9.845 -0.062 204 HD1 HIS 26 HD1 HIS 26 10.553 -11.359 -1.969 205 HD2 HIS 26 HD2 HIS 26 13.519 -12.901 0.496 206 HE1 HIS 26 HE1 HIS 26 11.373 -13.435 -3.121 207 HE2 HIS 26 HE2 HIS 26 13.104 -14.405 -1.572 208 H LYS 27 H LYS 27 12.775 -7.526 -0.176 209 HA LYS 27 HA LYS 27 14.180 -8.097 -2.589 210 HB2 LYS 27 HB2 LYS 27 12.444 -6.370 -2.470 211 HB3 LYS 27 HB3 LYS 27 13.431 -5.441 -1.354 212 HG2 LYS 27 HG2 LYS 27 13.888 -4.345 -3.296 213 HG3 LYS 27 HG3 LYS 27 15.176 -5.547 -3.320 214 HD2 LYS 27 HD2 LYS 27 12.526 -5.827 -4.736 215 HD3 LYS 27 HD3 LYS 27 14.019 -5.287 -5.499 216 HE2 LYS 27 HE2 LYS 27 13.551 -7.973 -4.214 217 HE3 LYS 27 HE3 LYS 27 13.583 -7.644 -5.945 218 HZ1 LYS 27 HZ1 LYS 27 15.906 -6.904 -5.681 219 HZ2 LYS 27 HZ2 LYS 27 15.680 -8.534 -5.271 220 HZ3 LYS 27 HZ3 LYS 27 15.855 -7.377 -4.050 221 H LYS 28 H LYS 28 15.031 -6.537 0.452 222 HA LYS 28 HA LYS 28 17.615 -5.685 -0.360 223 HB2 LYS 28 HB2 LYS 28 16.483 -6.157 2.390 224 HB3 LYS 28 HB3 LYS 28 18.033 -5.396 2.066 225 HG2 LYS 28 HG2 LYS 28 15.328 -4.361 1.251 226 HG3 LYS 28 HG3 LYS 28 16.365 -3.733 2.522 227 HD2 LYS 28 HD2 LYS 28 18.073 -3.177 0.843 228 HD3 LYS 28 HD3 LYS 28 16.985 -3.753 -0.422 229 HE2 LYS 28 HE2 LYS 28 16.856 -1.341 -0.272 230 HE3 LYS 28 HE3 LYS 28 15.332 -2.051 0.261 231 HZ1 LYS 28 HZ1 LYS 28 17.499 -1.031 2.020 232 HZ2 LYS 28 HZ2 LYS 28 16.068 -1.760 2.564 233 HZ3 LYS 28 HZ3 LYS 28 16.003 -0.279 1.739 234 H LYS 29 H LYS 29 16.492 -8.430 1.609 235 HA LYS 29 HA LYS 29 19.100 -9.513 1.953 236 HB2 LYS 29 HB2 LYS 29 16.393 -10.803 2.331 237 HB3 LYS 29 HB3 LYS 29 17.921 -11.500 2.851 238 HG2 LYS 29 HG2 LYS 29 18.262 -9.493 4.290 239 HG3 LYS 29 HG3 LYS 29 16.633 -8.978 3.859 240 HD2 LYS 29 HD2 LYS 29 17.356 -11.561 5.238 241 HD3 LYS 29 HD3 LYS 29 16.679 -10.132 6.019 242 HE2 LYS 29 HE2 LYS 29 14.679 -10.345 4.572 243 HE3 LYS 29 HE3 LYS 29 15.358 -11.826 3.902 244 HZ1 LYS 29 HZ1 LYS 29 14.604 -11.371 6.741 245 HZ2 LYS 29 HZ2 LYS 29 15.336 -12.779 6.145 246 HZ3 LYS 29 HZ3 LYS 29 13.780 -12.350 5.627 247 H HIS 30 H HIS 30 16.644 -9.887 -0.476 248 HA HIS 30 HA HIS 30 18.474 -11.676 -1.910 249 HB2 HIS 30 HB2 HIS 30 15.566 -12.065 -1.400 250 HB3 HIS 30 HB3 HIS 30 16.198 -12.548 -2.969 251 HD1 HIS 30 HD1 HIS 30 18.103 -14.406 -2.932 252 HD2 HIS 30 HD2 HIS 30 16.055 -13.818 0.647 253 HE1 HIS 30 HE1 HIS 30 18.588 -16.441 -1.524 254 HE2 HIS 30 HE2 HIS 30 17.377 -16.046 0.656 255 HA PRO 31 HA PRO 31 17.714 -8.138 -4.708 256 HB2 PRO 31 HB2 PRO 31 20.382 -8.961 -5.647 257 HB3 PRO 31 HB3 PRO 31 19.825 -7.370 -5.119 258 HG2 PRO 31 HG2 PRO 31 21.510 -8.830 -3.628 259 HG3 PRO 31 HG3 PRO 31 20.258 -7.813 -2.887 260 HD2 PRO 31 HD2 PRO 31 20.265 -10.775 -3.350 261 HD3 PRO 31 HD3 PRO 31 19.739 -9.862 -1.918 262 H ASP 32 H ASP 32 18.805 -11.400 -5.041 263 HA ASP 32 HA ASP 32 18.504 -11.664 -7.863 264 HB2 ASP 32 HB2 ASP 32 18.743 -14.082 -7.389 265 HB3 ASP 32 HB3 ASP 32 19.989 -13.127 -6.591 266 H ALA 33 H ALA 33 16.295 -11.621 -5.256 267 HA ALA 33 HA ALA 33 14.346 -13.278 -6.695 268 HB1 ALA 33 HB1 ALA 33 13.149 -13.418 -4.569 269 HB2 ALA 33 HB2 ALA 33 14.350 -12.364 -3.824 270 HB3 ALA 33 HB3 ALA 33 14.820 -13.960 -4.409 271 H SER 34 H SER 34 12.953 -12.236 -7.899 272 HA SER 34 HA SER 34 12.043 -9.559 -7.146 273 HB2 SER 34 HB2 SER 34 11.389 -11.144 -9.646 274 HB3 SER 34 HB3 SER 34 11.139 -9.417 -9.384 275 HG SER 34 HG SER 34 13.112 -9.089 -9.988 276 H VAL 35 H VAL 35 9.670 -9.152 -7.220 277 HA VAL 35 HA VAL 35 8.133 -11.570 -6.527 278 HB VAL 35 HB VAL 35 6.869 -10.415 -4.881 279 HG11 VAL 35 HG11 VAL 35 8.969 -11.208 -4.026 280 HG12 VAL 35 HG12 VAL 35 8.562 -9.676 -3.248 281 HG13 VAL 35 HG13 VAL 35 9.775 -9.722 -4.526 282 HG21 VAL 35 HG21 VAL 35 7.153 -8.048 -4.348 283 HG22 VAL 35 HG22 VAL 35 6.617 -8.285 -6.012 284 HG23 VAL 35 HG23 VAL 35 8.304 -7.888 -5.677 285 H ASN 36 H ASN 36 6.047 -11.690 -7.340 286 HA ASN 36 HA ASN 36 5.461 -9.921 -9.536 287 HB2 ASN 36 HB2 ASN 36 3.957 -12.270 -8.380 288 HB3 ASN 36 HB3 ASN 36 3.381 -11.328 -9.750 289 HD21 ASN 36 HD21 ASN 36 6.093 -10.918 -10.797 290 HD22 ASN 36 HD22 ASN 36 6.552 -12.430 -11.501 291 H PHE 37 H PHE 37 3.920 -8.373 -9.635 292 HA PHE 37 HA PHE 37 3.484 -6.933 -7.284 293 HB2 PHE 37 HB2 PHE 37 2.526 -6.690 -10.092 294 HB3 PHE 37 HB3 PHE 37 1.727 -5.725 -8.856 295 HD1 PHE 37 HD2 PHE 37 5.223 -6.528 -8.374 296 HD2 PHE 37 HD1 PHE 37 2.504 -3.703 -10.031 297 HE1 PHE 37 HE2 PHE 37 7.027 -4.862 -8.478 298 HE2 PHE 37 HE1 PHE 37 4.304 -2.028 -10.135 299 HZ PHE 37 HZ PHE 37 6.567 -2.607 -9.348 300 H SER 38 H SER 38 1.070 -8.708 -9.229 301 HA SER 38 HA SER 38 -1.003 -8.122 -7.347 302 HB2 SER 38 HB2 SER 38 -0.970 -10.156 -9.590 303 HB3 SER 38 HB3 SER 38 -2.399 -9.552 -8.749 304 HG SER 38 HG SER 38 -2.305 -8.277 -10.487 305 H GLU 39 H GLU 39 0.936 -10.981 -8.101 306 HA GLU 39 HA GLU 39 -0.429 -12.880 -6.612 307 HB2 GLU 39 HB2 GLU 39 2.562 -12.777 -6.998 308 HB3 GLU 39 HB3 GLU 39 1.585 -14.205 -6.692 309 HG2 GLU 39 HG2 GLU 39 1.607 -12.500 -9.160 310 HG3 GLU 39 HG3 GLU 39 2.163 -14.165 -8.998 311 H PHE 40 H PHE 40 2.452 -11.067 -5.593 312 HA PHE 40 HA PHE 40 2.565 -12.114 -3.002 313 HB2 PHE 40 HB2 PHE 40 4.436 -10.942 -4.120 314 HB3 PHE 40 HB3 PHE 40 3.555 -9.426 -3.984 315 HD1 PHE 40 HD2 PHE 40 5.182 -12.113 -2.026 316 HD2 PHE 40 HD1 PHE 40 3.666 -8.135 -2.024 317 HE1 PHE 40 HE2 PHE 40 6.219 -11.718 0.171 318 HE2 PHE 40 HE1 PHE 40 4.699 -7.738 0.168 319 HZ PHE 40 HZ PHE 40 5.979 -9.524 1.272 320 H SER 41 H SER 41 0.884 -9.296 -4.303 321 HA SER 41 HA SER 41 0.166 -8.258 -1.747 322 HB2 SER 41 HB2 SER 41 -1.163 -7.630 -4.390 323 HB3 SER 41 HB3 SER 41 -1.094 -6.618 -2.948 324 HG SER 41 HG SER 41 0.687 -6.848 -4.962 325 H LYS 42 H LYS 42 -1.266 -10.586 -3.928 326 HA LYS 42 HA LYS 42 -3.910 -10.657 -3.035 327 HB2 LYS 42 HB2 LYS 42 -2.113 -12.954 -3.849 328 HB3 LYS 42 HB3 LYS 42 -3.839 -13.109 -3.584 329 HG2 LYS 42 HG2 LYS 42 -4.305 -11.694 -5.465 330 HG3 LYS 42 HG3 LYS 42 -2.581 -11.352 -5.680 331 HD2 LYS 42 HD2 LYS 42 -2.179 -13.755 -6.053 332 HD3 LYS 42 HD3 LYS 42 -3.909 -14.056 -5.896 333 HE2 LYS 42 HE2 LYS 42 -4.358 -12.731 -7.860 334 HE3 LYS 42 HE3 LYS 42 -2.656 -12.282 -7.985 335 HZ1 LYS 42 HZ1 LYS 42 -3.291 -14.088 -9.511 336 HZ2 LYS 42 HZ2 LYS 42 -3.685 -15.066 -8.183 337 HZ3 LYS 42 HZ3 LYS 42 -2.081 -14.562 -8.421 338 H LYS 43 H LYS 43 -1.324 -12.853 -2.033 339 HA LYS 43 HA LYS 43 -2.854 -13.899 0.115 340 HB2 LYS 43 HB2 LYS 43 -0.686 -15.056 0.704 341 HB3 LYS 43 HB3 LYS 43 -1.343 -15.382 -0.891 342 HG2 LYS 43 HG2 LYS 43 0.246 -13.683 -1.801 343 HG3 LYS 43 HG3 LYS 43 0.979 -13.606 -0.194 344 HD2 LYS 43 HD2 LYS 43 1.480 -15.985 -0.290 345 HD3 LYS 43 HD3 LYS 43 0.701 -16.099 -1.869 346 HE2 LYS 43 HE2 LYS 43 2.365 -14.550 -2.788 347 HE3 LYS 43 HE3 LYS 43 3.147 -14.465 -1.210 348 HZ1 LYS 43 HZ1 LYS 43 4.267 -16.022 -2.681 349 HZ2 LYS 43 HZ2 LYS 43 2.843 -16.923 -2.854 350 HZ3 LYS 43 HZ3 LYS 43 3.608 -16.832 -1.344 351 H CYS 44 H CYS 44 -0.551 -11.306 -0.099 352 HA CYS 44 HA CYS 44 -0.060 -11.152 2.704 353 HB2 CYS 44 HB2 CYS 44 0.296 -9.118 0.508 354 HB3 CYS 44 HB3 CYS 44 0.762 -8.835 2.183 355 HG CYS 44 HG CYS 44 2.199 -10.818 -0.137 356 H SER 45 H SER 45 -2.475 -9.730 0.543 357 HA SER 45 HA SER 45 -3.584 -7.943 2.411 358 HB2 SER 45 HB2 SER 45 -4.142 -7.993 -0.043 359 HB3 SER 45 HB3 SER 45 -5.106 -9.438 0.258 360 HG SER 45 HG SER 45 -5.531 -7.026 1.685 361 H GLU 46 H GLU 46 -4.527 -11.259 1.550 362 HA GLU 46 HA GLU 46 -6.479 -11.621 3.520 363 HB2 GLU 46 HB2 GLU 46 -4.613 -13.673 2.321 364 HB3 GLU 46 HB3 GLU 46 -6.107 -14.027 3.181 365 HG2 GLU 46 HG2 GLU 46 -7.362 -12.801 1.456 366 HG3 GLU 46 HG3 GLU 46 -5.853 -12.539 0.579 367 H ARG 47 H ARG 47 -2.993 -12.080 3.605 368 HA ARG 47 HA ARG 47 -2.731 -13.231 6.132 369 HB2 ARG 47 HB2 ARG 47 -0.899 -12.958 4.471 370 HB3 ARG 47 HB3 ARG 47 -0.880 -11.234 4.805 371 HG2 ARG 47 HG2 ARG 47 -0.244 -11.712 7.132 372 HG3 ARG 47 HG3 ARG 47 -0.215 -13.436 6.748 373 HD2 ARG 47 HD2 ARG 47 1.463 -12.924 4.969 374 HD3 ARG 47 HD3 ARG 47 1.525 -11.273 5.577 375 HE ARG 47 HE ARG 47 2.031 -12.843 7.766 376 HH11 ARG 47 HH11 ARG 47 3.446 -12.442 4.589 377 HH12 ARG 47 HH12 ARG 47 5.045 -12.905 5.097 378 HH21 ARG 47 HH21 ARG 47 4.133 -13.463 8.432 379 HH22 ARG 47 HH22 ARG 47 5.429 -13.470 7.279 380 H TRP 48 H TRP 48 -2.638 -9.788 5.201 381 HA TRP 48 HA TRP 48 -2.442 -8.679 7.747 382 HB2 TRP 48 HB2 TRP 48 -2.136 -7.279 5.831 383 HB3 TRP 48 HB3 TRP 48 -3.745 -7.649 5.222 384 HD1 TRP 48 HD1 TRP 48 -5.728 -6.174 6.059 385 HE1 TRP 48 HE1 TRP 48 -5.891 -4.061 7.534 386 HE3 TRP 48 HE3 TRP 48 -0.979 -6.151 7.965 387 HZ2 TRP 48 HZ2 TRP 48 -4.214 -2.593 9.276 388 HZ3 TRP 48 HZ3 TRP 48 -0.339 -4.360 9.525 389 HH2 TRP 48 HH2 TRP 48 -1.924 -2.616 10.167 390 H LYS 49 H LYS 49 -5.314 -9.666 5.931 391 HA LYS 49 HA LYS 49 -7.217 -8.610 7.740 392 HB2 LYS 49 HB2 LYS 49 -7.673 -11.010 5.972 393 HB3 LYS 49 HB3 LYS 49 -8.854 -9.835 6.524 394 HG2 LYS 49 HG2 LYS 49 -7.740 -8.115 5.112 395 HG3 LYS 49 HG3 LYS 49 -6.645 -9.365 4.534 396 HD2 LYS 49 HD2 LYS 49 -8.541 -10.629 3.640 397 HD3 LYS 49 HD3 LYS 49 -9.644 -9.372 4.206 398 HE2 LYS 49 HE2 LYS 49 -8.585 -7.753 2.741 399 HE3 LYS 49 HE3 LYS 49 -7.404 -8.955 2.229 400 HZ1 LYS 49 HZ1 LYS 49 -9.149 -10.232 1.204 401 HZ2 LYS 49 HZ2 LYS 49 -9.211 -8.644 0.622 402 HZ3 LYS 49 HZ3 LYS 49 -10.335 -9.166 1.776 403 H THR 50 H THR 50 -5.185 -11.347 7.940 404 HA THR 50 HA THR 50 -6.823 -12.492 10.112 405 HB THR 50 HB THR 50 -5.965 -14.722 9.438 406 HG1 THR 50 HG1 THR 50 -5.071 -13.300 7.119 407 HG21 THR 50 HG21 THR 50 -7.486 -13.266 7.276 408 HG22 THR 50 HG22 THR 50 -8.190 -13.963 8.735 409 HG23 THR 50 HG23 THR 50 -7.448 -15.012 7.525 410 H MET 51 H MET 51 -4.389 -10.641 9.999 411 HA MET 51 HA MET 51 -2.282 -12.375 11.032 412 HB2 MET 51 HB2 MET 51 -1.817 -10.664 9.263 413 HB3 MET 51 HB3 MET 51 -2.148 -9.416 10.454 414 HG2 MET 51 HG2 MET 51 -0.285 -10.111 11.790 415 HG3 MET 51 HG3 MET 51 -0.004 -11.503 10.746 416 HE1 MET 51 HE1 MET 51 -0.083 -7.573 10.889 417 HE2 MET 51 HE2 MET 51 -1.050 -7.958 9.465 418 HE3 MET 51 HE3 MET 51 0.513 -7.163 9.282 419 H SER 52 H SER 52 -1.183 -11.983 12.965 420 HA SER 52 HA SER 52 -2.803 -11.480 15.190 421 HB2 SER 52 HB2 SER 52 0.218 -11.444 15.087 422 HB3 SER 52 HB3 SER 52 -0.797 -11.811 16.483 423 HG SER 52 HG SER 52 -1.030 -13.782 15.790 424 H ALA 53 H ALA 53 -2.768 -9.846 16.743 425 HA ALA 53 HA ALA 53 -2.715 -7.215 15.724 426 HB1 ALA 53 HB1 ALA 53 -2.821 -8.130 18.593 427 HB2 ALA 53 HB2 ALA 53 -4.208 -7.917 17.524 428 HB3 ALA 53 HB3 ALA 53 -3.237 -6.523 17.998 429 H LYS 54 H LYS 54 -0.384 -9.077 17.609 430 HA LYS 54 HA LYS 54 1.368 -7.034 18.335 431 HB2 LYS 54 HB2 LYS 54 1.633 -9.941 17.870 432 HB3 LYS 54 HB3 LYS 54 3.123 -9.014 17.782 433 HG2 LYS 54 HG2 LYS 54 2.910 -9.815 20.000 434 HG3 LYS 54 HG3 LYS 54 2.580 -8.084 20.034 435 HD2 LYS 54 HD2 LYS 54 0.180 -8.537 20.075 436 HD3 LYS 54 HD3 LYS 54 0.504 -10.272 20.020 437 HE2 LYS 54 HE2 LYS 54 1.749 -10.066 22.146 438 HE3 LYS 54 HE3 LYS 54 1.308 -8.361 22.208 439 HZ1 LYS 54 HZ1 LYS 54 -0.573 -10.661 22.265 440 HZ2 LYS 54 HZ2 LYS 54 -1.031 -9.027 22.266 441 HZ3 LYS 54 HZ3 LYS 54 -0.162 -9.666 23.574 442 H GLU 55 H GLU 55 1.361 -8.989 15.378 443 HA GLU 55 HA GLU 55 3.503 -7.732 14.098 444 HB2 GLU 55 HB2 GLU 55 1.056 -8.913 12.780 445 HB3 GLU 55 HB3 GLU 55 2.633 -8.678 12.042 446 HG2 GLU 55 HG2 GLU 55 1.998 -10.557 14.305 447 HG3 GLU 55 HG3 GLU 55 2.262 -11.005 12.621 448 H LYS 56 H LYS 56 0.025 -7.096 13.903 449 HA LYS 56 HA LYS 56 0.072 -5.016 12.056 450 HB2 LYS 56 HB2 LYS 56 -1.836 -5.579 14.323 451 HB3 LYS 56 HB3 LYS 56 -2.095 -4.291 13.156 452 HG2 LYS 56 HG2 LYS 56 -2.023 -6.016 11.355 453 HG3 LYS 56 HG3 LYS 56 -1.987 -7.248 12.619 454 HD2 LYS 56 HD2 LYS 56 -4.124 -6.546 13.450 455 HD3 LYS 56 HD3 LYS 56 -4.134 -5.146 12.376 456 HE2 LYS 56 HE2 LYS 56 -4.140 -6.690 10.442 457 HE3 LYS 56 HE3 LYS 56 -4.254 -8.047 11.562 458 HZ1 LYS 56 HZ1 LYS 56 -6.245 -5.847 11.523 459 HZ2 LYS 56 HZ2 LYS 56 -6.388 -7.379 12.245 460 HZ3 LYS 56 HZ3 LYS 56 -6.403 -7.230 10.555 461 H GLY 57 H GLY 57 0.128 -4.821 15.615 462 HA2 GLY 57 HA2 GLY 57 0.273 -2.034 15.826 463 HA3 GLY 57 HA3 GLY 57 0.877 -3.169 17.024 464 H LYS 58 H LYS 58 2.834 -4.436 15.492 465 HA LYS 58 HA LYS 58 5.040 -2.735 15.744 466 HB2 LYS 58 HB2 LYS 58 5.397 -5.080 15.814 467 HB3 LYS 58 HB3 LYS 58 4.619 -5.320 14.258 468 HG2 LYS 58 HG2 LYS 58 6.484 -4.087 13.190 469 HG3 LYS 58 HG3 LYS 58 7.278 -4.010 14.763 470 HD2 LYS 58 HD2 LYS 58 8.066 -5.871 13.284 471 HD3 LYS 58 HD3 LYS 58 7.477 -6.387 14.865 472 HE2 LYS 58 HE2 LYS 58 5.430 -7.161 13.940 473 HE3 LYS 58 HE3 LYS 58 5.760 -6.375 12.396 474 HZ1 LYS 58 HZ1 LYS 58 6.143 -8.819 12.426 475 HZ2 LYS 58 HZ2 LYS 58 7.423 -8.568 13.508 476 HZ3 LYS 58 HZ3 LYS 58 7.492 -7.914 11.948 477 H PHE 59 H PHE 59 3.254 -3.735 12.826 478 HA PHE 59 HA PHE 59 4.871 -2.246 11.034 479 HB2 PHE 59 HB2 PHE 59 2.026 -3.226 10.695 480 HB3 PHE 59 HB3 PHE 59 3.048 -2.614 9.399 481 HD1 PHE 59 HD2 PHE 59 5.610 -3.862 9.976 482 HD2 PHE 59 HD1 PHE 59 1.679 -5.460 10.223 483 HE1 PHE 59 HE2 PHE 59 6.513 -6.117 9.615 484 HE2 PHE 59 HE1 PHE 59 2.574 -7.724 9.864 485 HZ PHE 59 HZ PHE 59 4.992 -8.054 9.558 486 H GLU 60 H GLU 60 1.921 -1.541 12.800 487 HA GLU 60 HA GLU 60 1.326 0.930 11.568 488 HB2 GLU 60 HB2 GLU 60 -0.239 -0.447 12.951 489 HB3 GLU 60 HB3 GLU 60 0.658 0.037 14.381 490 HG2 GLU 60 HG2 GLU 60 0.018 2.327 14.079 491 HG3 GLU 60 HG3 GLU 60 -0.733 1.952 12.527 492 H ASP 61 H ASP 61 3.363 0.031 14.290 493 HA ASP 61 HA ASP 61 3.968 2.678 15.136 494 HB2 ASP 61 HB2 ASP 61 4.311 0.752 16.607 495 HB3 ASP 61 HB3 ASP 61 5.523 0.106 15.507 496 H MET 62 H MET 62 5.632 0.375 12.994 497 HA MET 62 HA MET 62 7.820 2.085 12.435 498 HB2 MET 62 HB2 MET 62 6.683 -0.233 10.866 499 HB3 MET 62 HB3 MET 62 8.187 0.589 10.457 500 HG2 MET 62 HG2 MET 62 9.024 0.004 12.740 501 HG3 MET 62 HG3 MET 62 7.578 -0.982 12.947 502 HE1 MET 62 HE1 MET 62 7.061 -3.181 11.511 503 HE2 MET 62 HE2 MET 62 8.052 -3.686 10.141 504 HE3 MET 62 HE3 MET 62 7.145 -2.175 10.063 505 H ALA 63 H ALA 63 4.617 1.796 11.110 506 HA ALA 63 HA ALA 63 5.019 3.273 8.737 507 HB1 ALA 63 HB1 ALA 63 2.469 2.996 10.326 508 HB2 ALA 63 HB2 ALA 63 3.054 1.838 9.134 509 HB3 ALA 63 HB3 ALA 63 2.610 3.468 8.632 510 H LYS 64 H LYS 64 4.033 4.254 12.013 511 HA LYS 64 HA LYS 64 3.459 6.939 11.407 512 HB2 LYS 64 HB2 LYS 64 3.419 7.347 13.720 513 HB3 LYS 64 HB3 LYS 64 2.991 5.648 13.589 514 HG2 LYS 64 HG2 LYS 64 5.296 5.034 14.130 515 HG3 LYS 64 HG3 LYS 64 5.702 6.741 14.288 516 HD2 LYS 64 HD2 LYS 64 4.090 6.942 16.125 517 HD3 LYS 64 HD3 LYS 64 3.711 5.223 15.972 518 HE2 LYS 64 HE2 LYS 64 6.028 4.660 16.491 519 HE3 LYS 64 HE3 LYS 64 6.427 6.372 16.606 520 HZ1 LYS 64 HZ1 LYS 64 4.612 4.842 18.389 521 HZ2 LYS 64 HZ2 LYS 64 4.809 6.527 18.448 522 HZ3 LYS 64 HZ3 LYS 64 6.122 5.508 18.786 523 H ALA 65 H ALA 65 6.442 5.264 12.033 524 HA ALA 65 HA ALA 65 8.123 7.486 12.421 525 HB1 ALA 65 HB1 ALA 65 9.958 5.975 11.932 526 HB2 ALA 65 HB2 ALA 65 8.832 4.805 11.244 527 HB3 ALA 65 HB3 ALA 65 8.769 5.180 12.965 528 H ASP 66 H ASP 66 7.618 5.543 9.459 529 HA ASP 66 HA ASP 66 9.216 7.284 7.869 530 HB2 ASP 66 HB2 ASP 66 8.544 4.779 7.488 531 HB3 ASP 66 HB3 ASP 66 7.154 5.474 6.662 532 H LYS 67 H LYS 67 5.849 7.161 8.708 533 HA LYS 67 HA LYS 67 4.799 8.897 6.773 534 HB2 LYS 67 HB2 LYS 67 3.283 7.675 8.130 535 HB3 LYS 67 HB3 LYS 67 4.006 8.273 9.612 536 HG2 LYS 67 HG2 LYS 67 2.843 10.321 7.844 537 HG3 LYS 67 HG3 LYS 67 1.701 9.195 8.584 538 HD2 LYS 67 HD2 LYS 67 2.677 9.718 10.797 539 HD3 LYS 67 HD3 LYS 67 3.738 10.898 10.024 540 HE2 LYS 67 HE2 LYS 67 0.727 10.988 9.922 541 HE3 LYS 67 HE3 LYS 67 1.708 11.880 11.082 542 HZ1 LYS 67 HZ1 LYS 67 1.760 12.187 8.128 543 HZ2 LYS 67 HZ2 LYS 67 2.793 13.002 9.207 544 HZ3 LYS 67 HZ3 LYS 67 1.120 13.285 9.249 545 H ALA 68 H ALA 68 6.215 9.596 9.970 546 HA ALA 68 HA ALA 68 5.961 12.437 9.584 547 HB1 ALA 68 HB1 ALA 68 7.584 10.956 11.648 548 HB2 ALA 68 HB2 ALA 68 5.902 11.455 11.834 549 HB3 ALA 68 HB3 ALA 68 7.168 12.672 11.664 550 H ARG 69 H ARG 69 8.336 10.005 8.916 551 HA ARG 69 HA ARG 69 10.485 11.805 8.412 552 HB2 ARG 69 HB2 ARG 69 9.988 8.968 7.505 553 HB3 ARG 69 HB3 ARG 69 11.454 9.863 7.115 554 HG2 ARG 69 HG2 ARG 69 11.966 10.103 9.475 555 HG3 ARG 69 HG3 ARG 69 10.467 9.277 9.898 556 HD2 ARG 69 HD2 ARG 69 11.290 7.265 8.718 557 HD3 ARG 69 HD3 ARG 69 12.818 8.101 8.424 558 HE ARG 69 HE ARG 69 12.559 8.305 11.095 559 HH11 ARG 69 HH11 ARG 69 12.359 5.566 8.910 560 HH12 ARG 69 HH12 ARG 69 12.843 4.409 10.122 561 HH21 ARG 69 HH21 ARG 69 13.236 6.803 12.656 562 HH22 ARG 69 HH22 ARG 69 13.350 5.117 12.248 563 H TYR 70 H TYR 70 7.820 10.534 6.494 564 HA TYR 70 HA TYR 70 8.524 11.569 4.010 565 HB2 TYR 70 HB2 TYR 70 6.604 10.185 4.130 566 HB3 TYR 70 HB3 TYR 70 5.878 11.169 5.393 567 HD1 TYR 70 HD2 TYR 70 6.998 11.458 1.845 568 HD2 TYR 70 HD1 TYR 70 4.188 12.616 4.818 569 HE1 TYR 70 HE2 TYR 70 5.730 12.700 0.156 570 HE2 TYR 70 HE1 TYR 70 2.917 13.865 3.136 571 HH TYR 70 HH TYR 70 3.315 13.468 -0.146 572 H GLU 71 H GLU 71 6.984 13.072 6.791 573 HA GLU 71 HA GLU 71 6.610 15.640 5.684 574 HB2 GLU 71 HB2 GLU 71 6.944 14.717 8.541 575 HB3 GLU 71 HB3 GLU 71 6.473 16.346 8.092 576 HG2 GLU 71 HG2 GLU 71 4.453 15.523 7.064 577 HG3 GLU 71 HG3 GLU 71 4.941 13.858 7.378 578 H ARG 72 H ARG 72 9.104 14.449 7.928 579 HA ARG 72 HA ARG 72 10.534 16.894 7.957 580 HB2 ARG 72 HB2 ARG 72 11.371 14.120 8.814 581 HB3 ARG 72 HB3 ARG 72 12.273 15.588 9.161 582 HG2 ARG 72 HG2 ARG 72 9.463 15.026 10.084 583 HG3 ARG 72 HG3 ARG 72 10.918 14.837 11.064 584 HD2 ARG 72 HD2 ARG 72 11.403 17.212 10.818 585 HD3 ARG 72 HD3 ARG 72 9.972 17.409 9.811 586 HE ARG 72 HE ARG 72 9.087 16.318 12.190 587 HH11 ARG 72 HH11 ARG 72 10.797 19.215 11.194 588 HH12 ARG 72 HH12 ARG 72 10.092 20.207 12.441 589 HH21 ARG 72 HH21 ARG 72 8.184 17.610 13.833 590 HH22 ARG 72 HH22 ARG 72 8.624 19.292 13.958 591 H GLU 73 H GLU 73 11.016 13.884 6.149 592 HA GLU 73 HA GLU 73 13.611 14.688 5.242 593 HB2 GLU 73 HB2 GLU 73 12.976 12.308 5.577 594 HB3 GLU 73 HB3 GLU 73 11.892 12.441 4.198 595 HG2 GLU 73 HG2 GLU 73 14.068 11.403 3.658 596 HG3 GLU 73 HG3 GLU 73 13.718 12.857 2.714 597 H MET 74 H MET 74 10.402 14.433 3.691 598 HA MET 74 HA MET 74 11.429 15.209 1.150 599 HB2 MET 74 HB2 MET 74 9.344 13.868 1.480 600 HB3 MET 74 HB3 MET 74 8.551 15.330 2.050 601 HG2 MET 74 HG2 MET 74 8.586 16.323 -0.043 602 HG3 MET 74 HG3 MET 74 9.892 15.287 -0.619 603 HE1 MET 74 HE1 MET 74 9.597 12.786 -1.357 604 HE2 MET 74 HE2 MET 74 8.093 11.883 -1.172 605 HE3 MET 74 HE3 MET 74 8.976 12.427 0.254 606 H LYS 75 H LYS 75 10.654 16.931 3.963 607 HA LYS 75 HA LYS 75 10.216 19.498 2.966 608 HB2 LYS 75 HB2 LYS 75 10.309 18.617 5.407 609 HB3 LYS 75 HB3 LYS 75 12.036 18.916 5.294 610 HG2 LYS 75 HG2 LYS 75 11.135 20.815 6.315 611 HG3 LYS 75 HG3 LYS 75 11.435 21.285 4.641 612 HD2 LYS 75 HD2 LYS 75 9.102 20.937 4.091 613 HD3 LYS 75 HD3 LYS 75 8.778 20.367 5.728 614 HE2 LYS 75 HE2 LYS 75 9.511 22.591 6.576 615 HE3 LYS 75 HE3 LYS 75 9.628 23.139 4.905 616 HZ1 LYS 75 HZ1 LYS 75 7.153 22.111 6.185 617 HZ2 LYS 75 HZ2 LYS 75 7.281 22.749 4.617 618 HZ3 LYS 75 HZ3 LYS 75 7.517 23.751 5.966 619 H THR 76 H THR 76 13.131 17.546 3.242 620 HA THR 76 HA THR 76 14.735 19.700 2.035 621 HB THR 76 HB THR 76 16.695 18.307 2.781 622 HG1 THR 76 HG1 THR 76 15.187 16.372 3.085 623 HG21 THR 76 HG21 THR 76 14.792 19.215 4.937 624 HG22 THR 76 HG22 THR 76 15.928 20.243 4.064 625 HG23 THR 76 HG23 THR 76 16.527 18.970 5.127 626 H TYR 77 H TYR 77 13.340 16.661 1.437 627 HA TYR 77 HA TYR 77 15.194 15.895 -0.654 628 HB2 TYR 77 HB2 TYR 77 14.349 14.106 0.672 629 HB3 TYR 77 HB3 TYR 77 12.690 14.656 0.484 630 HD1 TYR 77 HD1 TYR 77 15.504 12.990 -1.270 631 HD2 TYR 77 HD2 TYR 77 11.377 14.030 -1.398 632 HE1 TYR 77 HE1 TYR 77 15.180 11.469 -3.170 633 HE2 TYR 77 HE2 TYR 77 11.047 12.512 -3.299 634 HH TYR 77 HH TYR 77 12.261 11.423 -5.028 635 H ILE 78 H ILE 78 14.997 16.455 -2.697 636 HA ILE 78 HA ILE 78 12.424 17.563 -3.595 637 HB ILE 78 HB ILE 78 15.185 18.009 -4.755 638 HG12 ILE 78 HG12 ILE 78 14.506 20.457 -4.130 639 HG13 ILE 78 HG13 ILE 78 13.390 19.676 -3.016 640 HG21 ILE 78 HG21 ILE 78 13.528 17.994 -6.515 641 HG22 ILE 78 HG22 ILE 78 14.082 19.644 -6.235 642 HG23 ILE 78 HG23 ILE 78 12.516 19.121 -5.614 643 HD11 ILE 78 HD11 ILE 78 15.474 20.316 -1.925 644 HD12 ILE 78 HD12 ILE 78 16.375 19.304 -3.053 645 HD13 ILE 78 HD13 ILE 78 15.251 18.568 -1.912 646 HA PRO 79 HA PRO 79 12.127 13.729 -5.992 647 HB2 PRO 79 HB2 PRO 79 9.749 15.236 -6.941 648 HB3 PRO 79 HB3 PRO 79 9.865 13.575 -6.354 649 HG2 PRO 79 HG2 PRO 79 8.786 15.490 -4.842 650 HG3 PRO 79 HG3 PRO 79 9.794 14.218 -4.127 651 HD2 PRO 79 HD2 PRO 79 10.473 17.064 -4.719 652 HD3 PRO 79 HD3 PRO 79 10.956 16.051 -3.347 653 HA PRO 80 HA PRO 80 14.244 15.393 -9.524 654 HB2 PRO 80 HB2 PRO 80 13.263 12.898 -10.813 655 HB3 PRO 80 HB3 PRO 80 14.908 13.534 -10.694 656 HG2 PRO 80 HG2 PRO 80 14.137 11.481 -9.186 657 HG3 PRO 80 HG3 PRO 80 15.200 12.743 -8.534 658 HD2 PRO 80 HD2 PRO 80 12.277 12.308 -8.089 659 HD3 PRO 80 HD3 PRO 80 13.525 12.855 -6.950 660 H LYS 81 H LYS 81 13.551 16.821 -10.966 661 HA LYS 81 HA LYS 81 10.792 16.940 -11.755 662 HB2 LYS 81 HB2 LYS 81 12.012 19.002 -11.392 663 HB3 LYS 81 HB3 LYS 81 13.212 18.555 -12.592 664 HG2 LYS 81 HG2 LYS 81 11.697 20.237 -13.458 665 HG3 LYS 81 HG3 LYS 81 11.525 18.726 -14.351 666 HD2 LYS 81 HD2 LYS 81 9.348 19.718 -13.897 667 HD3 LYS 81 HD3 LYS 81 9.526 18.187 -13.040 668 HE2 LYS 81 HE2 LYS 81 9.995 19.349 -10.977 669 HE3 LYS 81 HE3 LYS 81 9.974 20.903 -11.811 670 HZ1 LYS 81 HZ1 LYS 81 7.675 20.737 -12.187 671 HZ2 LYS 81 HZ2 LYS 81 7.888 20.276 -10.566 672 HZ3 LYS 81 HZ3 LYS 81 7.624 19.101 -11.761 673 H GLY 82 H GLY 82 10.188 15.277 -13.033 674 HA2 GLY 82 HA2 GLY 82 10.273 14.994 -15.606 675 HA3 GLY 82 HA3 GLY 82 11.926 14.501 -15.248 676 H GLU 83 H GLU 83 10.048 12.847 -16.451 677 HA GLU 83 HA GLU 83 8.672 11.088 -14.827 678 HB2 GLU 83 HB2 GLU 83 9.185 9.391 -16.701 679 HB3 GLU 83 HB3 GLU 83 8.259 10.831 -17.091 680 HG2 GLU 83 HG2 GLU 83 9.890 10.339 -18.817 681 HG3 GLU 83 HG3 GLU 83 10.240 11.877 -18.035 682 H LEU 14 H LEU 14 -34.775 18.832 1.374 683 HA LEU 14 HA LEU 14 -34.174 16.487 2.243 684 HB2 LEU 14 HB2 LEU 14 -37.088 16.173 1.514 685 HB3 LEU 14 HB3 LEU 14 -35.993 14.855 1.868 686 HG LEU 14 HG LEU 14 -35.707 16.010 4.177 687 HD11 LEU 14 HD11 LEU 14 -37.679 17.245 4.918 688 HD12 LEU 14 HD12 LEU 14 -38.324 17.200 3.276 689 HD13 LEU 14 HD13 LEU 14 -36.839 18.088 3.616 690 HD21 LEU 14 HD21 LEU 14 -37.628 14.787 5.051 691 HD22 LEU 14 HD22 LEU 14 -36.775 13.846 3.828 692 HD23 LEU 14 HD23 LEU 14 -38.289 14.651 3.421 693 H SER 15 H SER 15 -32.770 16.667 0.538 694 HA SER 15 HA SER 15 -33.661 16.897 -2.166 695 HB2 SER 15 HB2 SER 15 -30.918 16.168 -1.118 696 HB3 SER 15 HB3 SER 15 -31.303 16.747 -2.740 697 HG SER 15 HG SER 15 -30.517 18.398 -1.265 698 H GLN 16 H GLN 16 -32.287 14.255 -0.212 699 HA GLN 16 HA GLN 16 -33.564 12.403 -2.097 700 HB2 GLN 16 HB2 GLN 16 -31.712 10.793 -1.755 701 HB3 GLN 16 HB3 GLN 16 -31.203 12.265 -2.567 702 HG2 GLN 16 HG2 GLN 16 -30.224 13.098 -0.519 703 HG3 GLN 16 HG3 GLN 16 -30.816 11.691 0.362 704 HE21 GLN 16 HE21 GLN 16 -28.098 12.635 0.054 705 HE22 GLN 16 HE22 GLN 16 -27.206 11.349 -0.690 706 H GLU 17 H GLU 17 -35.275 12.717 -0.430 707 HA GLU 17 HA GLU 17 -34.919 11.858 2.225 708 HB2 GLU 17 HB2 GLU 17 -37.448 11.610 2.208 709 HB3 GLU 17 HB3 GLU 17 -36.806 13.199 1.820 710 HG2 GLU 17 HG2 GLU 17 -37.209 12.844 -0.522 711 HG3 GLU 17 HG3 GLU 17 -37.706 11.179 -0.219 712 H THR 18 H THR 18 -36.877 10.110 -0.196 713 HA THR 18 HA THR 18 -35.956 7.596 1.014 714 HB THR 18 HB THR 18 -37.918 6.615 -0.245 715 HG1 THR 18 HG1 THR 18 -39.517 8.395 -0.754 716 HG21 THR 18 HG21 THR 18 -39.605 7.460 1.331 717 HG22 THR 18 HG22 THR 18 -38.534 8.794 1.760 718 HG23 THR 18 HG23 THR 18 -38.074 7.135 2.144 719 H PHE 19 H PHE 19 -35.245 9.580 -1.488 720 HA PHE 19 HA PHE 19 -35.287 7.864 -3.729 721 HB2 PHE 19 HB2 PHE 19 -33.706 10.391 -3.235 722 HB3 PHE 19 HB3 PHE 19 -33.899 9.606 -4.801 723 HD1 PHE 19 HD1 PHE 19 -36.137 9.515 -5.865 724 HD2 PHE 19 HD2 PHE 19 -35.419 11.766 -2.328 725 HE1 PHE 19 HE1 PHE 19 -38.217 10.774 -6.246 726 HE2 PHE 19 HE2 PHE 19 -37.492 13.028 -2.701 727 HZ PHE 19 HZ PHE 19 -38.899 12.530 -4.662 728 H SER 20 H SER 20 -33.043 8.268 -1.142 729 HA SER 20 HA SER 20 -30.770 7.164 -2.484 730 HB2 SER 20 HB2 SER 20 -29.892 6.993 -0.110 731 HB3 SER 20 HB3 SER 20 -30.384 8.612 -0.610 732 HG SER 20 HG SER 20 -31.797 6.776 1.041 733 H ASP 21 H ASP 21 -33.524 5.898 -0.830 734 HA ASP 21 HA ASP 21 -32.218 3.304 -0.497 735 HB2 ASP 21 HB2 ASP 21 -34.676 4.511 0.749 736 HB3 ASP 21 HB3 ASP 21 -34.318 2.791 0.871 737 H LEU 22 H LEU 22 -34.083 4.870 -2.701 738 HA LEU 22 HA LEU 22 -36.023 3.011 -3.460 739 HB2 LEU 22 HB2 LEU 22 -34.456 4.961 -5.145 740 HB3 LEU 22 HB3 LEU 22 -35.844 4.058 -5.722 741 HG LEU 22 HG LEU 22 -35.871 6.087 -3.486 742 HD11 LEU 22 HD11 LEU 22 -37.150 7.452 -5.045 743 HD12 LEU 22 HD12 LEU 22 -36.956 6.222 -6.294 744 HD13 LEU 22 HD13 LEU 22 -35.545 7.088 -5.683 745 HD21 LEU 22 HD21 LEU 22 -37.510 4.324 -3.128 746 HD22 LEU 22 HD22 LEU 22 -38.117 4.534 -4.771 747 HD23 LEU 22 HD23 LEU 22 -38.309 5.828 -3.588 748 H TRP 23 H TRP 23 -32.598 3.240 -4.343 749 HA TRP 23 HA TRP 23 -32.826 0.908 -6.055 750 HB2 TRP 23 HB2 TRP 23 -30.511 1.280 -6.623 751 HB3 TRP 23 HB3 TRP 23 -31.338 2.832 -6.654 752 HD1 TRP 23 HD1 TRP 23 -30.697 4.603 -4.736 753 HE1 TRP 23 HE1 TRP 23 -28.609 4.813 -3.234 754 HE3 TRP 23 HE3 TRP 23 -28.752 -0.078 -5.407 755 HZ2 TRP 23 HZ2 TRP 23 -26.429 3.193 -2.451 756 HZ3 TRP 23 HZ3 TRP 23 -26.663 -0.666 -4.247 757 HH2 TRP 23 HH2 TRP 23 -25.529 0.939 -2.801 758 H LYS 24 H LYS 24 -32.498 1.505 -2.823 759 HA LYS 24 HA LYS 24 -30.755 -0.759 -2.246 760 HB2 LYS 24 HB2 LYS 24 -31.983 1.368 -0.488 761 HB3 LYS 24 HB3 LYS 24 -31.016 0.034 0.129 762 HG2 LYS 24 HG2 LYS 24 -29.087 0.807 -1.083 763 HG3 LYS 24 HG3 LYS 24 -30.044 2.063 -1.870 764 HD2 LYS 24 HD2 LYS 24 -28.712 2.979 -0.040 765 HD3 LYS 24 HD3 LYS 24 -30.437 3.126 0.292 766 HE2 LYS 24 HE2 LYS 24 -30.349 1.209 1.765 767 HE3 LYS 24 HE3 LYS 24 -28.648 0.953 1.373 768 HZ1 LYS 24 HZ1 LYS 24 -28.933 2.097 3.493 769 HZ2 LYS 24 HZ2 LYS 24 -29.750 3.363 2.719 770 HZ3 LYS 24 HZ3 LYS 24 -28.117 3.076 2.373 771 H LEU 25 H LEU 25 -33.567 -0.950 -3.323 772 HA LEU 25 HA LEU 25 -35.141 -2.132 -1.261 773 HB2 LEU 25 HB2 LEU 25 -35.319 -2.364 -4.264 774 HB3 LEU 25 HB3 LEU 25 -36.507 -3.018 -3.154 775 HG LEU 25 HG LEU 25 -35.836 -0.098 -3.521 776 HD11 LEU 25 HD11 LEU 25 -37.104 -1.020 -5.374 777 HD12 LEU 25 HD12 LEU 25 -38.114 0.055 -4.407 778 HD13 LEU 25 HD13 LEU 25 -38.286 -1.694 -4.254 779 HD21 LEU 25 HD21 LEU 25 -37.724 0.308 -1.999 780 HD22 LEU 25 HD22 LEU 25 -36.407 -0.557 -1.207 781 HD23 LEU 25 HD23 LEU 25 -37.853 -1.428 -1.715 782 H LEU 26 H LEU 26 -32.531 -3.200 -3.186 783 HA LEU 26 HA LEU 26 -32.998 -6.008 -2.734 784 HB2 LEU 26 HB2 LEU 26 -30.503 -6.088 -3.498 785 HB3 LEU 26 HB3 LEU 26 -31.769 -5.753 -4.660 786 HG LEU 26 HG LEU 26 -31.219 -3.267 -4.258 787 HD11 LEU 26 HD11 LEU 26 -28.677 -4.502 -3.206 788 HD12 LEU 26 HD12 LEU 26 -29.842 -3.577 -2.259 789 HD13 LEU 26 HD13 LEU 26 -28.940 -2.794 -3.556 790 HD21 LEU 26 HD21 LEU 26 -29.419 -3.347 -5.915 791 HD22 LEU 26 HD22 LEU 26 -30.733 -4.452 -6.322 792 HD23 LEU 26 HD23 LEU 26 -29.237 -5.077 -5.628 793 HA PRO 27 HA PRO 27 -31.256 -5.972 1.327 794 HB2 PRO 27 HB2 PRO 27 -30.850 -8.843 1.142 795 HB3 PRO 27 HB3 PRO 27 -32.038 -7.953 2.096 796 HG2 PRO 27 HG2 PRO 27 -32.693 -9.506 -0.042 797 HG3 PRO 27 HG3 PRO 27 -33.640 -8.095 0.462 798 HD2 PRO 27 HD2 PRO 27 -31.637 -8.342 -1.749 799 HD3 PRO 27 HD3 PRO 27 -33.191 -7.480 -1.727 800 H GLU 28 H GLU 28 -29.314 -4.932 0.888 801 HA GLU 28 HA GLU 28 -26.993 -6.704 0.942 802 HB2 GLU 28 HB2 GLU 28 -27.365 -4.363 -0.932 803 HB3 GLU 28 HB3 GLU 28 -25.780 -5.002 -0.525 804 HG2 GLU 28 HG2 GLU 28 -28.001 -6.552 -1.837 805 HG3 GLU 28 HG3 GLU 28 -26.620 -5.838 -2.668 806 H ASN 29 H ASN 29 -25.008 -5.409 1.597 807 HA ASN 29 HA ASN 29 -25.587 -3.973 3.980 808 HB2 ASN 29 HB2 ASN 29 -23.169 -3.688 4.188 809 HB3 ASN 29 HB3 ASN 29 -23.548 -5.340 3.724 810 HD21 ASN 29 HD21 ASN 29 -21.085 -3.770 3.413 811 HD22 ASN 29 HD22 ASN 29 -20.721 -3.822 1.717 812 H ASN 30 H ASN 30 -24.753 -3.040 0.734 813 HA ASN 30 HA ASN 30 -25.638 -0.497 0.568 814 HB2 ASN 30 HB2 ASN 30 -24.204 0.040 2.554 815 HB3 ASN 30 HB3 ASN 30 -22.788 -0.388 1.602 816 HD21 ASN 30 HD21 ASN 30 -21.967 1.682 1.919 817 HD22 ASN 30 HD22 ASN 30 -22.570 3.050 1.034 818 H VAL 31 H VAL 31 -23.185 -2.812 -0.097 819 HA VAL 31 HA VAL 31 -22.352 -3.586 -2.049 820 HB VAL 31 HB VAL 31 -23.854 -1.347 -3.425 821 HG11 VAL 31 HG11 VAL 31 -23.506 -2.667 -5.471 822 HG12 VAL 31 HG12 VAL 31 -22.501 -3.796 -4.561 823 HG13 VAL 31 HG13 VAL 31 -21.982 -2.121 -4.770 824 HG21 VAL 31 HG21 VAL 31 -24.552 -4.263 -3.080 825 HG22 VAL 31 HG22 VAL 31 -25.453 -3.103 -4.057 826 HG23 VAL 31 HG23 VAL 31 -25.361 -2.899 -2.308 827 H LEU 32 H LEU 32 -20.350 -3.105 -1.279 828 HA LEU 32 HA LEU 32 -19.110 -0.655 -2.359 829 HB2 LEU 32 HB2 LEU 32 -18.274 -2.302 0.036 830 HB3 LEU 32 HB3 LEU 32 -17.432 -0.890 -0.568 831 HG LEU 32 HG LEU 32 -20.215 -0.902 0.602 832 HD11 LEU 32 HD11 LEU 32 -18.495 -1.291 2.276 833 HD12 LEU 32 HD12 LEU 32 -19.178 0.326 2.448 834 HD13 LEU 32 HD13 LEU 32 -17.597 0.113 1.698 835 HD21 LEU 32 HD21 LEU 32 -18.484 1.386 -0.334 836 HD22 LEU 32 HD22 LEU 32 -20.040 1.536 0.482 837 HD23 LEU 32 HD23 LEU 32 -19.952 0.807 -1.122 838 H SER 33 H SER 33 -19.575 -3.358 -3.546 839 HA SER 33 HA SER 33 -16.793 -4.218 -3.928 840 HB2 SER 33 HB2 SER 33 -18.350 -5.936 -3.026 841 HB3 SER 33 HB3 SER 33 -19.349 -5.764 -4.466 842 HG SER 33 HG SER 33 -17.900 -6.827 -5.622 843 HA PRO 34 HA PRO 34 -17.695 -2.634 -8.072 844 HB2 PRO 34 HB2 PRO 34 -15.381 -1.350 -8.445 845 HB3 PRO 34 HB3 PRO 34 -16.651 -0.667 -7.425 846 HG2 PRO 34 HG2 PRO 34 -14.082 -1.927 -6.654 847 HG3 PRO 34 HG3 PRO 34 -15.024 -0.685 -5.816 848 HD2 PRO 34 HD2 PRO 34 -14.971 -3.484 -5.277 849 HD3 PRO 34 HD3 PRO 34 -16.001 -2.256 -4.517 850 H LEU 35 H LEU 35 -16.756 -3.158 -10.136 851 HA LEU 35 HA LEU 35 -14.952 -5.463 -10.055 852 HB2 LEU 35 HB2 LEU 35 -17.047 -5.638 -11.358 853 HB3 LEU 35 HB3 LEU 35 -16.520 -4.299 -12.360 854 HG LEU 35 HG LEU 35 -14.573 -5.673 -13.090 855 HD11 LEU 35 HD11 LEU 35 -14.637 -8.086 -12.678 856 HD12 LEU 35 HD12 LEU 35 -16.006 -7.859 -11.590 857 HD13 LEU 35 HD13 LEU 35 -14.432 -7.170 -11.185 858 HD21 LEU 35 HD21 LEU 35 -16.554 -5.521 -14.475 859 HD22 LEU 35 HD22 LEU 35 -17.309 -6.838 -13.578 860 HD23 LEU 35 HD23 LEU 35 -15.878 -7.150 -14.560 861 HA PRO 36 HA PRO 36 -11.766 -2.421 -11.038 862 HB2 PRO 36 HB2 PRO 36 -9.690 -4.173 -10.803 863 HB3 PRO 36 HB3 PRO 36 -10.452 -3.386 -9.417 864 HG2 PRO 36 HG2 PRO 36 -10.864 -6.143 -10.497 865 HG3 PRO 36 HG3 PRO 36 -10.745 -5.605 -8.811 866 HD2 PRO 36 HD2 PRO 36 -13.114 -6.151 -10.008 867 HD3 PRO 36 HD3 PRO 36 -12.942 -4.918 -8.742 868 H SER 37 H SER 37 -11.427 -1.865 -13.090 869 HA SER 37 HA SER 37 -11.500 -3.911 -15.148 870 HB2 SER 37 HB2 SER 37 -11.482 -1.842 -16.669 871 HB3 SER 37 HB3 SER 37 -12.897 -2.072 -15.640 872 HG SER 37 HG SER 37 -12.466 -0.242 -14.724 873 H GLN 38 H GLN 38 -9.237 -1.615 -13.736 874 HA GLN 38 HA GLN 38 -7.218 -2.542 -15.668 875 HB2 GLN 38 HB2 GLN 38 -7.702 -0.099 -15.645 876 HB3 GLN 38 HB3 GLN 38 -7.149 -0.044 -13.976 877 HG2 GLN 38 HG2 GLN 38 -5.411 0.709 -15.474 878 HG3 GLN 38 HG3 GLN 38 -4.932 -0.794 -14.688 879 HE21 GLN 38 HE21 GLN 38 -3.470 -1.355 -16.267 880 HE22 GLN 38 HE22 GLN 38 -3.952 -1.852 -17.859 881 H ALA 39 H ALA 39 -7.183 -1.274 -12.313 882 HA ALA 39 HA ALA 39 -5.181 -3.345 -11.718 883 HB1 ALA 39 HB1 ALA 39 -4.078 -1.207 -12.217 884 HB2 ALA 39 HB2 ALA 39 -3.817 -1.729 -10.553 885 HB3 ALA 39 HB3 ALA 39 -4.980 -0.450 -10.905 886 H MET 40 H MET 40 -4.656 -3.329 -9.308 887 HA MET 40 HA MET 40 -7.155 -3.091 -7.769 888 HB2 MET 40 HB2 MET 40 -6.070 -4.816 -6.238 889 HB3 MET 40 HB3 MET 40 -6.647 -5.383 -7.798 890 HG2 MET 40 HG2 MET 40 -4.538 -6.405 -7.349 891 HG3 MET 40 HG3 MET 40 -4.336 -5.254 -8.665 892 HE1 MET 40 HE1 MET 40 -1.731 -5.259 -8.447 893 HE2 MET 40 HE2 MET 40 -1.863 -6.481 -7.182 894 HE3 MET 40 HE3 MET 40 -0.866 -5.049 -6.924 895 H ASP 41 H ASP 41 -5.281 -0.974 -8.218 896 HA ASP 41 HA ASP 41 -3.328 -0.608 -6.281 897 HB2 ASP 41 HB2 ASP 41 -3.405 1.752 -6.813 898 HB3 ASP 41 HB3 ASP 41 -3.627 0.818 -8.287 899 H ASP 42 H ASP 42 -6.660 -0.700 -5.814 900 HA ASP 42 HA ASP 42 -6.974 1.024 -3.611 901 HB2 ASP 42 HB2 ASP 42 -8.905 0.139 -4.813 902 HB3 ASP 42 HB3 ASP 42 -8.466 -1.506 -4.340 903 H LEU 43 H LEU 43 -5.665 -2.190 -3.930 904 HA LEU 43 HA LEU 43 -6.359 -3.149 -1.378 905 HB2 LEU 43 HB2 LEU 43 -4.506 -3.977 -3.533 906 HB3 LEU 43 HB3 LEU 43 -4.190 -4.633 -1.942 907 HG LEU 43 HG LEU 43 -5.548 -6.112 -3.407 908 HD11 LEU 43 HD11 LEU 43 -7.185 -6.698 -1.698 909 HD12 LEU 43 HD12 LEU 43 -6.921 -5.145 -0.905 910 HD13 LEU 43 HD13 LEU 43 -5.616 -6.329 -0.981 911 HD21 LEU 43 HD21 LEU 43 -7.664 -3.990 -3.062 912 HD22 LEU 43 HD22 LEU 43 -7.893 -5.577 -3.794 913 HD23 LEU 43 HD23 LEU 43 -6.840 -4.394 -4.569 914 H MET 44 H MET 44 -2.951 -2.661 -2.328 915 HA MET 44 HA MET 44 -2.552 -1.266 0.205 916 HB2 MET 44 HB2 MET 44 -1.218 -3.812 -0.625 917 HB3 MET 44 HB3 MET 44 -0.433 -2.691 0.484 918 HG2 MET 44 HG2 MET 44 -2.076 -2.958 2.110 919 HG3 MET 44 HG3 MET 44 -3.216 -3.671 0.972 920 HE1 MET 44 HE1 MET 44 -1.827 -7.259 0.491 921 HE2 MET 44 HE2 MET 44 -1.728 -5.834 -0.546 922 HE3 MET 44 HE3 MET 44 -3.238 -6.217 0.294 923 H LEU 45 H LEU 45 -0.356 -2.586 -2.246 924 HA LEU 45 HA LEU 45 0.965 0.016 -2.325 925 HB2 LEU 45 HB2 LEU 45 1.905 -2.603 -3.523 926 HB3 LEU 45 HB3 LEU 45 2.842 -1.130 -3.383 927 HG LEU 45 HG LEU 45 2.000 -2.999 -1.168 928 HD11 LEU 45 HD11 LEU 45 4.042 -3.633 -2.335 929 HD12 LEU 45 HD12 LEU 45 4.408 -3.086 -0.695 930 HD13 LEU 45 HD13 LEU 45 4.709 -2.021 -2.068 931 HD21 LEU 45 HD21 LEU 45 1.604 -0.813 -0.313 932 HD22 LEU 45 HD22 LEU 45 3.142 -0.231 -0.942 933 HD23 LEU 45 HD23 LEU 45 3.117 -1.410 0.368 934 H SER 46 H SER 46 -0.189 1.275 -3.659 935 HA SER 46 HA SER 46 -1.592 0.418 -5.935 936 HB2 SER 46 HB2 SER 46 -0.565 3.212 -5.404 937 HB3 SER 46 HB3 SER 46 -1.975 2.752 -6.359 938 HG SER 46 HG SER 46 -2.924 1.957 -4.407 939 HA PRO 47 HA PRO 47 1.835 -0.508 -8.656 940 HB2 PRO 47 HB2 PRO 47 -0.335 -0.002 -10.643 941 HB3 PRO 47 HB3 PRO 47 0.816 -1.341 -10.547 942 HG2 PRO 47 HG2 PRO 47 -1.698 -1.662 -9.756 943 HG3 PRO 47 HG3 PRO 47 -0.360 -2.407 -8.862 944 HD2 PRO 47 HD2 PRO 47 -2.029 -0.045 -8.158 945 HD3 PRO 47 HD3 PRO 47 -1.265 -1.247 -7.101 946 H ASP 48 H ASP 48 -0.351 2.198 -9.381 947 HA ASP 48 HA ASP 48 1.266 3.511 -11.249 948 HB2 ASP 48 HB2 ASP 48 -1.088 4.097 -10.889 949 HB3 ASP 48 HB3 ASP 48 -0.703 4.714 -9.286 950 H ASP 49 H ASP 49 1.216 3.673 -7.738 951 HA ASP 49 HA ASP 49 3.091 5.888 -7.652 952 HB2 ASP 49 HB2 ASP 49 1.796 4.257 -5.458 953 HB3 ASP 49 HB3 ASP 49 2.829 5.655 -5.187 954 H ILE 50 H ILE 50 3.147 2.470 -7.520 955 HA ILE 50 HA ILE 50 4.987 1.853 -5.619 956 HB ILE 50 HB ILE 50 4.345 0.530 -8.231 957 HG12 ILE 50 HG12 ILE 50 3.770 -0.080 -5.327 958 HG13 ILE 50 HG13 ILE 50 2.618 0.433 -6.556 959 HG21 ILE 50 HG21 ILE 50 5.649 -1.382 -7.617 960 HG22 ILE 50 HG22 ILE 50 6.147 -0.608 -6.115 961 HG23 ILE 50 HG23 ILE 50 6.693 0.039 -7.661 962 HD11 ILE 50 HD11 ILE 50 2.995 -1.684 -7.748 963 HD12 ILE 50 HD12 ILE 50 2.372 -1.919 -6.116 964 HD13 ILE 50 HD13 ILE 50 4.081 -2.194 -6.455 965 H GLU 51 H GLU 51 5.757 2.875 -8.949 966 HA GLU 51 HA GLU 51 8.425 2.048 -8.956 967 HB2 GLU 51 HB2 GLU 51 6.872 4.029 -10.554 968 HB3 GLU 51 HB3 GLU 51 8.619 3.978 -10.725 969 HG2 GLU 51 HG2 GLU 51 8.398 1.527 -11.216 970 HG3 GLU 51 HG3 GLU 51 6.654 1.778 -11.285 971 H GLN 52 H GLN 52 7.088 4.668 -7.204 972 HA GLN 52 HA GLN 52 9.533 6.228 -7.275 973 HB2 GLN 52 HB2 GLN 52 7.399 7.406 -7.177 974 HB3 GLN 52 HB3 GLN 52 7.011 6.615 -5.655 975 HG2 GLN 52 HG2 GLN 52 8.815 7.750 -4.543 976 HG3 GLN 52 HG3 GLN 52 9.367 8.445 -6.064 977 HE21 GLN 52 HE21 GLN 52 6.951 8.557 -3.567 978 HE22 GLN 52 HE22 GLN 52 6.293 10.098 -3.999 979 H TRP 53 H TRP 53 8.125 3.778 -5.260 980 HA TRP 53 HA TRP 53 10.275 4.208 -3.301 981 HB2 TRP 53 HB2 TRP 53 8.372 3.159 -1.701 982 HB3 TRP 53 HB3 TRP 53 8.651 4.885 -1.887 983 HD1 TRP 53 HD1 TRP 53 6.915 6.210 -3.525 984 HE1 TRP 53 HE1 TRP 53 4.451 5.747 -4.054 985 HE3 TRP 53 HE3 TRP 53 6.676 1.334 -2.031 986 HZ2 TRP 53 HZ2 TRP 53 2.632 3.596 -3.855 987 HZ3 TRP 53 HZ3 TRP 53 4.537 0.144 -2.237 988 HH2 TRP 53 HH2 TRP 53 2.555 1.253 -3.125 989 H PHE 54 H PHE 54 7.761 1.814 -4.074 990 HA PHE 54 HA PHE 54 9.477 -0.363 -3.296 991 HB2 PHE 54 HB2 PHE 54 7.232 -0.717 -2.751 992 HB3 PHE 54 HB3 PHE 54 6.654 -0.065 -4.267 993 HD1 PHE 54 HD1 PHE 54 9.262 -2.537 -4.668 994 HD2 PHE 54 HD2 PHE 54 5.067 -2.006 -4.075 995 HE1 PHE 54 HE1 PHE 54 8.855 -4.793 -5.545 996 HE2 PHE 54 HE2 PHE 54 4.662 -4.258 -4.969 997 HZ PHE 54 HZ PHE 54 6.558 -5.652 -5.705 998 H THR 55 H THR 55 11.112 -0.837 -4.583 999 HA THR 55 HA THR 55 10.600 -0.990 -7.470 1000 HB THR 55 HB THR 55 13.122 -0.498 -7.676 1001 HG1 THR 55 HG1 THR 55 12.692 0.766 -5.166 1002 HG21 THR 55 HG21 THR 55 12.713 1.949 -7.577 1003 HG22 THR 55 HG22 THR 55 11.171 1.626 -6.782 1004 HG23 THR 55 HG23 THR 55 11.447 1.069 -8.433 1005 H GLU 56 H GLU 56 10.665 -3.018 -8.165 1006 HA GLU 56 HA GLU 56 12.226 -4.983 -6.682 1007 HB2 GLU 56 HB2 GLU 56 11.126 -6.670 -8.024 1008 HB3 GLU 56 HB3 GLU 56 9.921 -5.566 -7.380 1009 HG2 GLU 56 HG2 GLU 56 9.493 -4.618 -9.450 1010 HG3 GLU 56 HG3 GLU 56 11.029 -5.160 -10.126 1011 H ASP 57 H ASP 57 13.917 -6.151 -7.570 1012 HA ASP 57 HA ASP 57 14.821 -5.397 -10.244 1013 HB2 ASP 57 HB2 ASP 57 17.007 -4.835 -9.571 1014 HB3 ASP 57 HB3 ASP 57 15.971 -4.013 -8.412 1015 HA PRO 58 HA PRO 58 15.550 -9.747 -10.330 1016 HB2 PRO 58 HB2 PRO 58 16.526 -9.948 -12.802 1017 HB3 PRO 58 HB3 PRO 58 14.870 -9.399 -12.519 1018 HG2 PRO 58 HG2 PRO 58 17.285 -7.832 -13.262 1019 HG3 PRO 58 HG3 PRO 58 15.593 -7.577 -13.718 1020 HD2 PRO 58 HD2 PRO 58 17.011 -6.249 -11.669 1021 HD3 PRO 58 HD3 PRO 58 15.262 -6.192 -11.954 1022 H GLY 59 H GLY 59 17.798 -7.970 -9.234 1023 HA2 GLY 59 HA2 GLY 59 19.779 -8.829 -8.254 1024 HA3 GLY 59 HA3 GLY 59 19.896 -9.990 -9.564 1025 HA PRO 60 HA PRO 60 21.978 -5.900 -10.817 1026 HB2 PRO 60 HB2 PRO 60 23.331 -4.862 -8.600 1027 HB3 PRO 60 HB3 PRO 60 21.796 -4.280 -9.243 1028 HG2 PRO 60 HG2 PRO 60 22.233 -5.541 -6.744 1029 HG3 PRO 60 HG3 PRO 60 20.676 -5.111 -7.470 1030 HD2 PRO 60 HD2 PRO 60 22.070 -7.732 -7.393 1031 HD3 PRO 60 HD3 PRO 60 20.331 -7.376 -7.471 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 1.802 9.403 -7.240 2 H2 GLY 1 HT2 GLY 1 0.207 9.489 -7.798 3 H3 GLY 1 HT3 GLY 1 0.614 10.142 -6.286 4 HA2 GLY 1 HA3 GLY 1 1.570 11.120 -8.921 5 HA3 GLY 1 HA2 GLY 1 0.341 11.892 -7.928 6 H LYS 2 H LYS 2 3.754 11.065 -8.161 7 HA LYS 2 HA LYS 2 4.323 13.159 -6.157 8 HB2 LYS 2 HB2 LYS 2 5.955 10.664 -6.690 9 HB3 LYS 2 HB3 LYS 2 6.285 11.887 -5.469 10 HG2 LYS 2 HG2 LYS 2 4.358 11.277 -4.220 11 HG3 LYS 2 HG3 LYS 2 3.775 10.234 -5.517 12 HD2 LYS 2 HD2 LYS 2 5.875 8.866 -5.199 13 HD3 LYS 2 HD3 LYS 2 6.174 9.816 -3.740 14 HE2 LYS 2 HE2 LYS 2 4.108 9.059 -2.766 15 HE3 LYS 2 HE3 LYS 2 3.655 8.239 -4.258 16 HZ1 LYS 2 HZ1 LYS 2 5.827 6.941 -3.882 17 HZ2 LYS 2 HZ2 LYS 2 4.467 6.537 -2.957 18 HZ3 LYS 2 HZ3 LYS 2 5.707 7.479 -2.279 19 H GLY 3 H GLY 3 5.043 14.877 -7.234 20 HA2 GLY 3 HA2 GLY 3 6.091 14.845 -9.843 21 HA3 GLY 3 HA3 GLY 3 6.203 16.187 -8.716 22 H ASP 4 H ASP 4 7.859 15.658 -6.862 23 HA ASP 4 HA ASP 4 10.394 15.318 -8.175 24 HB2 ASP 4 HB2 ASP 4 9.829 15.659 -5.220 25 HB3 ASP 4 HB3 ASP 4 11.378 15.887 -6.025 26 HA PRO 5 HA PRO 5 10.288 10.957 -7.285 27 HB2 PRO 5 HB2 PRO 5 12.265 10.213 -8.923 28 HB3 PRO 5 HB3 PRO 5 10.714 10.779 -9.554 29 HG2 PRO 5 HG2 PRO 5 13.314 12.235 -9.326 30 HG3 PRO 5 HG3 PRO 5 12.123 12.268 -10.638 31 HD2 PRO 5 HD2 PRO 5 12.350 14.184 -8.650 32 HD3 PRO 5 HD3 PRO 5 10.898 13.901 -9.627 33 H LYS 6 H LYS 6 12.200 13.067 -5.886 34 HA LYS 6 HA LYS 6 14.090 11.044 -4.876 35 HB2 LYS 6 HB2 LYS 6 14.564 14.027 -5.015 36 HB3 LYS 6 HB3 LYS 6 15.705 12.810 -4.459 37 HG2 LYS 6 HG2 LYS 6 15.730 11.821 -6.712 38 HG3 LYS 6 HG3 LYS 6 14.644 13.098 -7.263 39 HD2 LYS 6 HD2 LYS 6 16.319 14.779 -6.711 40 HD3 LYS 6 HD3 LYS 6 17.399 13.520 -6.106 41 HE2 LYS 6 HE2 LYS 6 16.388 13.740 -8.941 42 HE3 LYS 6 HE3 LYS 6 17.981 14.250 -8.388 43 HZ1 LYS 6 HZ1 LYS 6 17.980 12.035 -9.429 44 HZ2 LYS 6 HZ2 LYS 6 16.955 11.468 -8.205 45 HZ3 LYS 6 HZ3 LYS 6 18.516 11.997 -7.823 46 H LYS 7 H LYS 7 11.375 11.941 -4.027 47 HA LYS 7 HA LYS 7 11.920 13.070 -1.396 48 HB2 LYS 7 HB2 LYS 7 9.338 12.460 -2.845 49 HB3 LYS 7 HB3 LYS 7 9.405 13.039 -1.185 50 HG2 LYS 7 HG2 LYS 7 10.687 15.023 -2.040 51 HG3 LYS 7 HG3 LYS 7 10.289 14.475 -3.670 52 HD2 LYS 7 HD2 LYS 7 7.945 14.718 -3.250 53 HD3 LYS 7 HD3 LYS 7 8.233 15.026 -1.536 54 HE2 LYS 7 HE2 LYS 7 9.529 17.060 -2.205 55 HE3 LYS 7 HE3 LYS 7 8.998 16.780 -3.862 56 HZ1 LYS 7 HZ1 LYS 7 6.760 17.168 -3.262 57 HZ2 LYS 7 HZ2 LYS 7 7.663 18.414 -2.543 58 HZ3 LYS 7 HZ3 LYS 7 7.109 17.118 -1.601 59 HA PRO 8 HA PRO 8 11.714 9.443 1.085 60 HB2 PRO 8 HB2 PRO 8 9.151 10.363 2.289 61 HB3 PRO 8 HB3 PRO 8 10.652 9.871 3.079 62 HG2 PRO 8 HG2 PRO 8 10.017 12.441 2.926 63 HG3 PRO 8 HG3 PRO 8 11.694 11.918 2.660 64 HD2 PRO 8 HD2 PRO 8 9.622 12.728 0.665 65 HD3 PRO 8 HD3 PRO 8 11.361 13.081 0.691 66 H ARG 9 H ARG 9 10.161 7.632 1.891 67 HA ARG 9 HA ARG 9 9.388 6.405 -0.548 68 HB2 ARG 9 HB2 ARG 9 10.455 5.330 1.512 69 HB3 ARG 9 HB3 ARG 9 8.836 5.314 2.196 70 HG2 ARG 9 HG2 ARG 9 8.043 3.845 0.494 71 HG3 ARG 9 HG3 ARG 9 9.537 4.036 -0.432 72 HD2 ARG 9 HD2 ARG 9 9.403 2.856 2.333 73 HD3 ARG 9 HD3 ARG 9 9.349 1.900 0.855 74 HE ARG 9 HE ARG 9 11.622 3.396 0.602 75 HH11 ARG 9 HH11 ARG 9 10.370 1.254 3.077 76 HH12 ARG 9 HH12 ARG 9 11.927 0.616 3.489 77 HH21 ARG 9 HH21 ARG 9 13.696 2.585 1.193 78 HH22 ARG 9 HH22 ARG 9 13.810 1.377 2.443 79 H GLY 10 H GLY 10 7.529 7.353 2.320 80 HA2 GLY 10 HA2 GLY 10 5.426 8.529 1.117 81 HA3 GLY 10 HA3 GLY 10 5.036 6.826 0.944 82 H LYS 11 H LYS 11 3.397 8.564 2.267 83 HA LYS 11 HA LYS 11 3.812 8.189 5.144 84 HB2 LYS 11 HB2 LYS 11 1.806 9.794 3.554 85 HB3 LYS 11 HB3 LYS 11 1.782 9.672 5.308 86 HG2 LYS 11 HG2 LYS 11 3.855 10.807 5.499 87 HG3 LYS 11 HG3 LYS 11 4.145 10.702 3.763 88 HD2 LYS 11 HD2 LYS 11 3.455 12.945 4.345 89 HD3 LYS 11 HD3 LYS 11 2.213 12.174 3.366 90 HE2 LYS 11 HE2 LYS 11 2.082 12.224 6.365 91 HE3 LYS 11 HE3 LYS 11 1.454 13.543 5.381 92 HZ1 LYS 11 HZ1 LYS 11 -0.355 12.133 5.809 93 HZ2 LYS 11 HZ2 LYS 11 0.525 10.731 5.476 94 HZ3 LYS 11 HZ3 LYS 11 0.097 11.776 4.215 95 H MET 12 H MET 12 3.131 5.993 3.318 96 HA MET 12 HA MET 12 0.427 5.361 3.176 97 HB2 MET 12 HB2 MET 12 2.645 3.342 3.464 98 HB3 MET 12 HB3 MET 12 1.089 3.114 2.683 99 HG2 MET 12 HG2 MET 12 1.750 4.780 0.983 100 HG3 MET 12 HG3 MET 12 3.341 4.864 1.735 101 HE1 MET 12 HE1 MET 12 3.105 1.517 2.582 102 HE2 MET 12 HE2 MET 12 4.599 2.423 2.324 103 HE3 MET 12 HE3 MET 12 4.281 0.959 1.392 104 H SER 13 H SER 13 -0.813 3.751 4.301 105 HA SER 13 HA SER 13 -0.521 3.975 7.156 106 HB2 SER 13 HB2 SER 13 -2.618 2.529 5.524 107 HB3 SER 13 HB3 SER 13 -2.717 2.919 7.247 108 HG SER 13 HG SER 13 -3.828 4.471 6.039 109 H SER 14 H SER 14 -1.366 1.765 8.275 110 HA SER 14 HA SER 14 0.944 0.256 8.520 111 HB2 SER 14 HB2 SER 14 -1.822 -0.702 9.258 112 HB3 SER 14 HB3 SER 14 -0.293 -1.088 10.052 113 HG SER 14 HG SER 14 -0.186 1.279 10.452 114 H TYR 15 H TYR 15 -2.032 -0.490 6.734 115 HA TYR 15 HA TYR 15 -1.530 -3.145 6.094 116 HB2 TYR 15 HB2 TYR 15 -3.565 -1.493 5.604 117 HB3 TYR 15 HB3 TYR 15 -2.789 -1.397 4.030 118 HD1 TYR 15 HD1 TYR 15 -1.804 -4.292 3.921 119 HD2 TYR 15 HD2 TYR 15 -5.555 -2.593 4.981 120 HE1 TYR 15 HE1 TYR 15 -2.930 -6.375 3.252 121 HE2 TYR 15 HE2 TYR 15 -6.688 -4.668 4.316 122 HH TYR 15 HH TYR 15 -5.014 -7.568 3.713 123 H ALA 16 H ALA 16 -0.491 -0.204 4.399 124 HA ALA 16 HA ALA 16 0.690 -1.695 2.249 125 HB1 ALA 16 HB1 ALA 16 1.445 0.433 1.392 126 HB2 ALA 16 HB2 ALA 16 1.026 1.225 2.914 127 HB3 ALA 16 HB3 ALA 16 -0.245 0.550 1.895 128 H PHE 17 H PHE 17 1.849 -0.131 5.183 129 HA PHE 17 HA PHE 17 4.607 -0.383 4.665 130 HB2 PHE 17 HB2 PHE 17 2.923 0.342 6.905 131 HB3 PHE 17 HB3 PHE 17 4.289 -0.639 7.430 132 HD1 PHE 17 HD2 PHE 17 3.326 2.472 5.704 133 HD2 PHE 17 HD1 PHE 17 6.481 0.205 7.435 134 HE1 PHE 17 HE2 PHE 17 4.798 4.438 5.580 135 HE2 PHE 17 HE1 PHE 17 7.961 2.164 7.323 136 HZ PHE 17 HZ PHE 17 7.120 4.284 6.392 137 H PHE 18 H PHE 18 2.248 -2.552 6.091 138 HA PHE 18 HA PHE 18 3.884 -4.628 6.930 139 HB2 PHE 18 HB2 PHE 18 1.589 -4.748 7.470 140 HB3 PHE 18 HB3 PHE 18 1.096 -4.558 5.792 141 HD1 PHE 18 HD2 PHE 18 2.949 -6.905 8.017 142 HD2 PHE 18 HD1 PHE 18 0.484 -6.405 4.585 143 HE1 PHE 18 HE2 PHE 18 2.776 -9.351 7.788 144 HE2 PHE 18 HE1 PHE 18 0.301 -8.843 4.354 145 HZ PHE 18 HZ PHE 18 1.449 -10.318 5.955 146 H VAL 19 H VAL 19 2.363 -4.191 3.744 147 HA VAL 19 HA VAL 19 3.585 -6.482 2.588 148 HB VAL 19 HB VAL 19 2.592 -4.102 1.029 149 HG11 VAL 19 HG11 VAL 19 1.820 -5.905 -0.533 150 HG12 VAL 19 HG12 VAL 19 2.726 -7.053 0.456 151 HG13 VAL 19 HG13 VAL 19 3.572 -5.747 -0.374 152 HG21 VAL 19 HG21 VAL 19 0.931 -4.601 2.724 153 HG22 VAL 19 HG22 VAL 19 0.917 -6.293 2.227 154 HG23 VAL 19 HG23 VAL 19 0.357 -5.041 1.117 155 H GLN 20 H GLN 20 4.445 -3.122 2.881 156 HA GLN 20 HA GLN 20 6.496 -3.020 0.962 157 HB2 GLN 20 HB2 GLN 20 5.437 -1.037 2.004 158 HB3 GLN 20 HB3 GLN 20 6.237 -1.434 3.519 159 HG2 GLN 20 HG2 GLN 20 8.420 -1.237 2.292 160 HG3 GLN 20 HG3 GLN 20 7.504 -0.576 0.937 161 HE21 GLN 20 HE21 GLN 20 6.478 1.428 1.177 162 HE22 GLN 20 HE22 GLN 20 6.938 2.539 2.421 163 H THR 21 H THR 21 6.688 -3.459 4.504 164 HA THR 21 HA THR 21 9.490 -3.601 4.554 165 HB THR 21 HB THR 21 8.198 -3.075 6.564 166 HG1 THR 21 HG1 THR 21 9.992 -3.753 7.455 167 HG21 THR 21 HG21 THR 21 7.421 -5.997 6.563 168 HG22 THR 21 HG22 THR 21 6.333 -4.647 6.240 169 HG23 THR 21 HG23 THR 21 7.066 -4.825 7.833 170 H CYS 22 H CYS 22 7.057 -6.156 4.193 171 HA CYS 22 HA CYS 22 9.034 -8.232 4.433 172 HB2 CYS 22 HB2 CYS 22 7.171 -9.744 3.675 173 HB3 CYS 22 HB3 CYS 22 6.833 -8.820 5.134 174 HG CYS 22 HG CYS 22 4.965 -7.211 4.122 175 H ARG 23 H ARG 23 7.367 -6.602 1.773 176 HA ARG 23 HA ARG 23 8.401 -8.145 -0.328 177 HB2 ARG 23 HB2 ARG 23 6.614 -6.637 -0.800 178 HB3 ARG 23 HB3 ARG 23 7.515 -5.264 -0.182 179 HG2 ARG 23 HG2 ARG 23 8.721 -6.684 -2.468 180 HG3 ARG 23 HG3 ARG 23 7.225 -5.802 -2.789 181 HD2 ARG 23 HD2 ARG 23 8.168 -3.756 -2.038 182 HD3 ARG 23 HD3 ARG 23 9.579 -4.577 -1.366 183 HE ARG 23 HE ARG 23 9.099 -4.658 -4.263 184 HH11 ARG 23 HH11 ARG 23 11.028 -3.572 -1.552 185 HH12 ARG 23 HH12 ARG 23 12.399 -3.128 -2.524 186 HH21 ARG 23 HH21 ARG 23 10.894 -4.052 -5.561 187 HH22 ARG 23 HH22 ARG 23 12.316 -3.395 -4.807 188 H GLU 24 H GLU 24 9.659 -5.247 1.266 189 HA GLU 24 HA GLU 24 12.005 -5.143 -0.362 190 HB2 GLU 24 HB2 GLU 24 11.143 -3.118 0.627 191 HB3 GLU 24 HB3 GLU 24 11.316 -3.781 2.244 192 HG2 GLU 24 HG2 GLU 24 13.810 -3.990 1.667 193 HG3 GLU 24 HG3 GLU 24 13.444 -2.909 0.326 194 H GLU 25 H GLU 25 11.150 -6.674 2.665 195 HA GLU 25 HA GLU 25 13.725 -7.192 3.644 196 HB2 GLU 25 HB2 GLU 25 11.457 -7.576 4.796 197 HB3 GLU 25 HB3 GLU 25 11.415 -9.105 3.933 198 HG2 GLU 25 HG2 GLU 25 12.234 -9.319 6.224 199 HG3 GLU 25 HG3 GLU 25 13.428 -9.827 5.029 200 H HIS 26 H HIS 26 11.665 -8.971 1.411 201 HA HIS 26 HA HIS 26 13.541 -11.099 1.004 202 HB2 HIS 26 HB2 HIS 26 11.085 -11.358 0.710 203 HB3 HIS 26 HB3 HIS 26 11.161 -10.277 -0.676 204 HD1 HIS 26 HD1 HIS 26 11.152 -11.518 -2.818 205 HD2 HIS 26 HD2 HIS 26 12.997 -13.684 0.205 206 HE1 HIS 26 HE1 HIS 26 11.799 -13.710 -3.859 207 HE2 HIS 26 HE2 HIS 26 12.741 -15.073 -1.959 208 H LYS 27 H LYS 27 13.026 -7.961 -0.336 209 HA LYS 27 HA LYS 27 14.391 -8.490 -2.816 210 HB2 LYS 27 HB2 LYS 27 12.555 -6.782 -2.495 211 HB3 LYS 27 HB3 LYS 27 13.715 -5.804 -1.612 212 HG2 LYS 27 HG2 LYS 27 13.430 -5.092 -3.947 213 HG3 LYS 27 HG3 LYS 27 15.089 -5.572 -3.577 214 HD2 LYS 27 HD2 LYS 27 14.834 -7.644 -4.706 215 HD3 LYS 27 HD3 LYS 27 13.086 -7.443 -4.821 216 HE2 LYS 27 HE2 LYS 27 14.332 -7.030 -6.949 217 HE3 LYS 27 HE3 LYS 27 13.310 -5.696 -6.417 218 HZ1 LYS 27 HZ1 LYS 27 15.709 -5.241 -7.232 219 HZ2 LYS 27 HZ2 LYS 27 16.158 -5.728 -5.668 220 HZ3 LYS 27 HZ3 LYS 27 15.113 -4.412 -5.882 221 H LYS 28 H LYS 28 15.228 -7.310 0.361 222 HA LYS 28 HA LYS 28 17.801 -6.306 -0.378 223 HB2 LYS 28 HB2 LYS 28 16.614 -7.048 2.299 224 HB3 LYS 28 HB3 LYS 28 18.254 -6.436 2.120 225 HG2 LYS 28 HG2 LYS 28 17.267 -4.413 0.998 226 HG3 LYS 28 HG3 LYS 28 15.682 -5.011 1.489 227 HD2 LYS 28 HD2 LYS 28 17.944 -4.498 3.414 228 HD3 LYS 28 HD3 LYS 28 16.708 -3.304 3.024 229 HE2 LYS 28 HE2 LYS 28 16.162 -6.038 4.178 230 HE3 LYS 28 HE3 LYS 28 16.257 -4.551 5.119 231 HZ1 LYS 28 HZ1 LYS 28 14.404 -3.670 3.775 232 HZ2 LYS 28 HZ2 LYS 28 13.976 -5.051 4.663 233 HZ3 LYS 28 HZ3 LYS 28 14.277 -5.175 3.003 234 H LYS 29 H LYS 29 16.650 -9.339 1.071 235 HA LYS 29 HA LYS 29 19.278 -10.487 1.124 236 HB2 LYS 29 HB2 LYS 29 16.544 -11.370 1.850 237 HB3 LYS 29 HB3 LYS 29 17.701 -12.632 1.446 238 HG2 LYS 29 HG2 LYS 29 19.123 -12.054 3.210 239 HG3 LYS 29 HG3 LYS 29 18.339 -10.488 3.442 240 HD2 LYS 29 HD2 LYS 29 16.854 -13.068 3.824 241 HD3 LYS 29 HD3 LYS 29 17.813 -12.351 5.121 242 HE2 LYS 29 HE2 LYS 29 15.574 -10.968 3.643 243 HE3 LYS 29 HE3 LYS 29 15.432 -11.713 5.237 244 HZ1 LYS 29 HZ1 LYS 29 15.829 -9.240 5.213 245 HZ2 LYS 29 HZ2 LYS 29 17.397 -9.569 4.650 246 HZ3 LYS 29 HZ3 LYS 29 16.899 -10.148 6.163 247 H HIS 30 H HIS 30 16.746 -10.285 -1.201 248 HA HIS 30 HA HIS 30 18.393 -11.904 -2.999 249 HB2 HIS 30 HB2 HIS 30 15.487 -12.278 -2.419 250 HB3 HIS 30 HB3 HIS 30 16.078 -12.587 -4.047 251 HD1 HIS 30 HD1 HIS 30 17.883 -14.496 -4.297 252 HD2 HIS 30 HD2 HIS 30 16.022 -14.257 -0.580 253 HE1 HIS 30 HE1 HIS 30 18.330 -16.701 -3.163 254 HE2 HIS 30 HE2 HIS 30 17.021 -16.609 -1.011 255 HA PRO 31 HA PRO 31 17.529 -7.957 -5.188 256 HB2 PRO 31 HB2 PRO 31 20.175 -8.589 -6.313 257 HB3 PRO 31 HB3 PRO 31 19.612 -7.101 -5.546 258 HG2 PRO 31 HG2 PRO 31 21.368 -8.749 -4.347 259 HG3 PRO 31 HG3 PRO 31 20.163 -7.829 -3.431 260 HD2 PRO 31 HD2 PRO 31 20.148 -10.716 -4.218 261 HD3 PRO 31 HD3 PRO 31 19.639 -9.961 -2.693 262 H ASP 32 H ASP 32 18.338 -11.197 -5.919 263 HA ASP 32 HA ASP 32 17.963 -10.953 -8.782 264 HB2 ASP 32 HB2 ASP 32 18.429 -13.329 -8.854 265 HB3 ASP 32 HB3 ASP 32 19.606 -12.552 -7.800 266 H ALA 33 H ALA 33 16.086 -11.699 -5.974 267 HA ALA 33 HA ALA 33 14.002 -12.942 -7.613 268 HB1 ALA 33 HB1 ALA 33 14.736 -14.203 -5.651 269 HB2 ALA 33 HB2 ALA 33 13.035 -13.748 -5.544 270 HB3 ALA 33 HB3 ALA 33 14.242 -12.864 -4.614 271 H SER 34 H SER 34 13.117 -11.142 -8.549 272 HA SER 34 HA SER 34 11.989 -9.037 -6.924 273 HB2 SER 34 HB2 SER 34 12.906 -8.684 -9.253 274 HB3 SER 34 HB3 SER 34 11.541 -9.611 -9.867 275 HG SER 34 HG SER 34 11.041 -7.440 -9.970 276 H VAL 35 H VAL 35 9.982 -9.105 -6.048 277 HA VAL 35 HA VAL 35 8.488 -11.534 -6.245 278 HB VAL 35 HB VAL 35 6.977 -10.637 -4.628 279 HG11 VAL 35 HG11 VAL 35 9.088 -11.318 -3.700 280 HG12 VAL 35 HG12 VAL 35 8.498 -9.898 -2.832 281 HG13 VAL 35 HG13 VAL 35 9.784 -9.730 -4.027 282 HG21 VAL 35 HG21 VAL 35 8.224 -7.949 -5.162 283 HG22 VAL 35 HG22 VAL 35 7.072 -8.296 -3.872 284 HG23 VAL 35 HG23 VAL 35 6.579 -8.456 -5.559 285 H ASN 36 H ASN 36 6.615 -11.956 -7.252 286 HA ASN 36 HA ASN 36 5.778 -10.211 -9.380 287 HB2 ASN 36 HB2 ASN 36 5.740 -12.646 -9.663 288 HB3 ASN 36 HB3 ASN 36 4.608 -12.799 -8.331 289 HD21 ASN 36 HD21 ASN 36 3.082 -13.793 -9.556 290 HD22 ASN 36 HD22 ASN 36 2.163 -12.972 -10.778 291 H PHE 37 H PHE 37 3.984 -8.922 -9.449 292 HA PHE 37 HA PHE 37 2.899 -7.951 -7.064 293 HB2 PHE 37 HB2 PHE 37 2.033 -7.687 -9.931 294 HB3 PHE 37 HB3 PHE 37 1.116 -6.945 -8.623 295 HD1 PHE 37 HD2 PHE 37 4.400 -6.992 -10.318 296 HD2 PHE 37 HD1 PHE 37 1.841 -4.972 -7.582 297 HE1 PHE 37 HE2 PHE 37 5.922 -5.057 -10.330 298 HE2 PHE 37 HE1 PHE 37 3.351 -3.034 -7.597 299 HZ PHE 37 HZ PHE 37 5.392 -3.072 -8.965 300 H SER 38 H SER 38 1.591 -10.275 -9.387 301 HA SER 38 HA SER 38 -0.892 -10.663 -8.159 302 HB2 SER 38 HB2 SER 38 0.716 -12.755 -9.642 303 HB3 SER 38 HB3 SER 38 -1.036 -12.691 -9.460 304 HG SER 38 HG SER 38 -0.889 -11.727 -11.336 305 H GLU 39 H GLU 39 2.247 -12.254 -7.635 306 HA GLU 39 HA GLU 39 1.174 -14.292 -5.978 307 HB2 GLU 39 HB2 GLU 39 3.363 -15.086 -5.728 308 HB3 GLU 39 HB3 GLU 39 3.371 -14.328 -7.310 309 HG2 GLU 39 HG2 GLU 39 4.546 -12.434 -6.484 310 HG3 GLU 39 HG3 GLU 39 4.375 -12.987 -4.822 311 H PHE 40 H PHE 40 2.858 -11.263 -5.315 312 HA PHE 40 HA PHE 40 3.114 -11.887 -2.533 313 HB2 PHE 40 HB2 PHE 40 4.663 -10.454 -4.083 314 HB3 PHE 40 HB3 PHE 40 3.577 -9.143 -3.633 315 HD1 PHE 40 HD2 PHE 40 5.818 -11.736 -2.261 316 HD2 PHE 40 HD1 PHE 40 3.801 -8.057 -1.572 317 HE1 PHE 40 HE2 PHE 40 7.061 -11.458 -0.158 318 HE2 PHE 40 HE1 PHE 40 5.042 -7.769 0.531 319 HZ PHE 40 HZ PHE 40 6.669 -9.467 1.240 320 H SER 41 H SER 41 1.345 -9.375 -4.339 321 HA SER 41 HA SER 41 0.098 -8.171 -2.180 322 HB2 SER 41 HB2 SER 41 -0.793 -8.479 -5.044 323 HB3 SER 41 HB3 SER 41 -1.613 -7.430 -3.900 324 HG SER 41 HG SER 41 -0.080 -6.019 -4.158 325 H LYS 42 H LYS 42 -0.975 -10.966 -4.104 326 HA LYS 42 HA LYS 42 -3.570 -11.130 -3.076 327 HB2 LYS 42 HB2 LYS 42 -2.420 -12.352 -5.072 328 HB3 LYS 42 HB3 LYS 42 -2.021 -13.573 -3.873 329 HG2 LYS 42 HG2 LYS 42 -4.835 -12.634 -4.306 330 HG3 LYS 42 HG3 LYS 42 -4.115 -13.919 -5.274 331 HD2 LYS 42 HD2 LYS 42 -3.710 -15.224 -3.251 332 HD3 LYS 42 HD3 LYS 42 -4.394 -13.925 -2.268 333 HE2 LYS 42 HE2 LYS 42 -6.546 -14.212 -3.313 334 HE3 LYS 42 HE3 LYS 42 -5.887 -15.404 -4.433 335 HZ1 LYS 42 HZ1 LYS 42 -7.105 -16.384 -2.541 336 HZ2 LYS 42 HZ2 LYS 42 -5.948 -15.738 -1.480 337 HZ3 LYS 42 HZ3 LYS 42 -5.496 -16.899 -2.632 338 H LYS 43 H LYS 43 -0.678 -12.996 -2.093 339 HA LYS 43 HA LYS 43 -2.076 -14.315 0.001 340 HB2 LYS 43 HB2 LYS 43 0.144 -15.154 0.687 341 HB3 LYS 43 HB3 LYS 43 -0.193 -15.404 -1.019 342 HG2 LYS 43 HG2 LYS 43 1.175 -13.371 -1.502 343 HG3 LYS 43 HG3 LYS 43 1.625 -13.346 0.205 344 HD2 LYS 43 HD2 LYS 43 2.627 -15.535 0.012 345 HD3 LYS 43 HD3 LYS 43 2.073 -15.676 -1.657 346 HE2 LYS 43 HE2 LYS 43 3.463 -13.712 -2.235 347 HE3 LYS 43 HE3 LYS 43 4.072 -13.696 -0.580 348 HZ1 LYS 43 HZ1 LYS 43 4.374 -15.944 -2.501 349 HZ2 LYS 43 HZ2 LYS 43 4.982 -15.904 -0.919 350 HZ3 LYS 43 HZ3 LYS 43 5.587 -14.832 -2.089 351 H CYS 44 H CYS 44 -0.050 -11.428 -0.107 352 HA CYS 44 HA CYS 44 0.199 -11.207 2.724 353 HB2 CYS 44 HB2 CYS 44 0.635 -9.218 0.499 354 HB3 CYS 44 HB3 CYS 44 0.915 -8.838 2.195 355 HG CYS 44 HG CYS 44 3.425 -9.331 1.502 356 H SER 45 H SER 45 -2.191 -10.101 0.403 357 HA SER 45 HA SER 45 -3.555 -8.267 2.009 358 HB2 SER 45 HB2 SER 45 -4.668 -10.201 -0.042 359 HB3 SER 45 HB3 SER 45 -5.566 -8.851 0.654 360 HG SER 45 HG SER 45 -3.358 -8.816 -1.094 361 H GLU 46 H GLU 46 -4.243 -11.736 1.568 362 HA GLU 46 HA GLU 46 -6.188 -11.857 3.628 363 HB2 GLU 46 HB2 GLU 46 -4.523 -14.122 2.514 364 HB3 GLU 46 HB3 GLU 46 -6.071 -14.260 3.335 365 HG2 GLU 46 HG2 GLU 46 -7.164 -13.083 1.513 366 HG3 GLU 46 HG3 GLU 46 -5.615 -12.888 0.693 367 H ARG 47 H ARG 47 -2.740 -12.333 3.540 368 HA ARG 47 HA ARG 47 -2.298 -13.544 6.007 369 HB2 ARG 47 HB2 ARG 47 -0.588 -13.270 4.277 370 HB3 ARG 47 HB3 ARG 47 -0.601 -11.532 4.519 371 HG2 ARG 47 HG2 ARG 47 0.338 -11.781 6.716 372 HG3 ARG 47 HG3 ARG 47 0.218 -13.541 6.608 373 HD2 ARG 47 HD2 ARG 47 1.800 -13.581 4.789 374 HD3 ARG 47 HD3 ARG 47 1.840 -11.821 4.733 375 HE ARG 47 HE ARG 47 2.606 -12.777 7.299 376 HH11 ARG 47 HH11 ARG 47 3.772 -12.424 4.015 377 HH12 ARG 47 HH12 ARG 47 5.446 -12.343 4.468 378 HH21 ARG 47 HH21 ARG 47 4.803 -12.620 7.920 379 HH22 ARG 47 HH22 ARG 47 6.031 -12.409 6.698 380 H TRP 48 H TRP 48 -2.355 -10.081 5.192 381 HA TRP 48 HA TRP 48 -1.961 -9.131 7.809 382 HB2 TRP 48 HB2 TRP 48 -1.600 -7.658 5.950 383 HB3 TRP 48 HB3 TRP 48 -3.253 -7.873 5.386 384 HD1 TRP 48 HD1 TRP 48 -5.132 -6.399 6.497 385 HE1 TRP 48 HE1 TRP 48 -5.078 -4.355 8.060 386 HE3 TRP 48 HE3 TRP 48 -0.249 -6.642 7.947 387 HZ2 TRP 48 HZ2 TRP 48 -3.192 -3.024 9.699 388 HZ3 TRP 48 HZ3 TRP 48 0.605 -4.955 9.514 389 HH2 TRP 48 HH2 TRP 48 -0.832 -3.182 10.371 390 H LYS 49 H LYS 49 -4.905 -9.883 6.003 391 HA LYS 49 HA LYS 49 -6.726 -8.662 7.765 392 HB2 LYS 49 HB2 LYS 49 -7.255 -11.049 5.992 393 HB3 LYS 49 HB3 LYS 49 -8.449 -9.935 6.636 394 HG2 LYS 49 HG2 LYS 49 -7.402 -8.120 5.291 395 HG3 LYS 49 HG3 LYS 49 -6.327 -9.331 4.594 396 HD2 LYS 49 HD2 LYS 49 -8.278 -10.575 3.771 397 HD3 LYS 49 HD3 LYS 49 -9.335 -9.319 4.417 398 HE2 LYS 49 HE2 LYS 49 -7.225 -8.945 2.292 399 HE3 LYS 49 HE3 LYS 49 -8.965 -9.030 2.019 400 HZ1 LYS 49 HZ1 LYS 49 -9.142 -7.052 3.534 401 HZ2 LYS 49 HZ2 LYS 49 -8.405 -6.764 2.036 402 HZ3 LYS 49 HZ3 LYS 49 -7.452 -6.908 3.429 403 H THR 50 H THR 50 -4.969 -11.603 8.038 404 HA THR 50 HA THR 50 -6.831 -12.612 10.068 405 HB THR 50 HB THR 50 -5.507 -14.736 9.845 406 HG1 THR 50 HG1 THR 50 -4.586 -13.647 7.392 407 HG21 THR 50 HG21 THR 50 -6.876 -13.703 7.359 408 HG22 THR 50 HG22 THR 50 -7.680 -14.420 8.757 409 HG23 THR 50 HG23 THR 50 -6.603 -15.399 7.762 410 H MET 51 H MET 51 -4.355 -10.594 10.103 411 HA MET 51 HA MET 51 -2.742 -11.854 12.171 412 HB2 MET 51 HB2 MET 51 -2.564 -9.183 10.783 413 HB3 MET 51 HB3 MET 51 -1.493 -9.659 12.094 414 HG2 MET 51 HG2 MET 51 -0.642 -11.492 10.796 415 HG3 MET 51 HG3 MET 51 -1.801 -11.161 9.510 416 HE1 MET 51 HE1 MET 51 1.543 -8.197 10.648 417 HE2 MET 51 HE2 MET 51 1.306 -9.731 11.487 418 HE3 MET 51 HE3 MET 51 0.088 -8.461 11.607 419 H SER 52 H SER 52 -2.281 -10.762 14.197 420 HA SER 52 HA SER 52 -4.707 -9.746 15.408 421 HB2 SER 52 HB2 SER 52 -3.281 -9.893 17.519 422 HB3 SER 52 HB3 SER 52 -3.588 -11.415 16.680 423 HG SER 52 HG SER 52 -1.512 -11.627 16.545 424 H ALA 53 H ALA 53 -4.665 -7.853 16.828 425 HA ALA 53 HA ALA 53 -3.792 -5.572 15.426 426 HB1 ALA 53 HB1 ALA 53 -4.699 -4.299 17.276 427 HB2 ALA 53 HB2 ALA 53 -4.748 -5.750 18.277 428 HB3 ALA 53 HB3 ALA 53 -5.783 -5.625 16.856 429 H LYS 54 H LYS 54 -2.324 -7.374 18.061 430 HA LYS 54 HA LYS 54 -0.512 -5.390 18.905 431 HB2 LYS 54 HB2 LYS 54 0.840 -7.252 19.817 432 HB3 LYS 54 HB3 LYS 54 -0.856 -7.354 20.259 433 HG2 LYS 54 HG2 LYS 54 -1.219 -9.083 18.611 434 HG3 LYS 54 HG3 LYS 54 0.447 -8.930 18.050 435 HD2 LYS 54 HD2 LYS 54 1.278 -9.667 20.196 436 HD3 LYS 54 HD3 LYS 54 -0.360 -9.712 20.847 437 HE2 LYS 54 HE2 LYS 54 0.406 -11.950 20.284 438 HE3 LYS 54 HE3 LYS 54 -0.945 -11.477 19.259 439 HZ1 LYS 54 HZ1 LYS 54 1.873 -11.193 18.386 440 HZ2 LYS 54 HZ2 LYS 54 0.472 -11.178 17.428 441 HZ3 LYS 54 HZ3 LYS 54 0.990 -12.619 18.148 442 H GLU 55 H GLU 55 -0.214 -7.876 16.401 443 HA GLU 55 HA GLU 55 2.456 -7.093 15.721 444 HB2 GLU 55 HB2 GLU 55 0.440 -8.855 14.335 445 HB3 GLU 55 HB3 GLU 55 2.079 -8.598 13.749 446 HG2 GLU 55 HG2 GLU 55 2.993 -9.552 15.767 447 HG3 GLU 55 HG3 GLU 55 1.376 -9.723 16.447 448 H LYS 56 H LYS 56 -0.777 -6.437 14.511 449 HA LYS 56 HA LYS 56 -0.046 -4.916 12.266 450 HB2 LYS 56 HB2 LYS 56 -2.470 -4.753 14.064 451 HB3 LYS 56 HB3 LYS 56 -2.302 -3.839 12.570 452 HG2 LYS 56 HG2 LYS 56 -2.103 -5.938 11.319 453 HG3 LYS 56 HG3 LYS 56 -2.310 -6.839 12.821 454 HD2 LYS 56 HD2 LYS 56 -4.529 -6.035 13.092 455 HD3 LYS 56 HD3 LYS 56 -4.330 -4.857 11.793 456 HE2 LYS 56 HE2 LYS 56 -4.072 -6.703 10.186 457 HE3 LYS 56 HE3 LYS 56 -4.330 -7.861 11.491 458 HZ1 LYS 56 HZ1 LYS 56 -6.311 -7.250 10.037 459 HZ2 LYS 56 HZ2 LYS 56 -6.328 -5.775 10.869 460 HZ3 LYS 56 HZ3 LYS 56 -6.544 -7.225 11.716 461 H GLY 57 H GLY 57 -0.345 -4.135 15.669 462 HA2 GLY 57 HA2 GLY 57 -0.058 -1.351 15.529 463 HA3 GLY 57 HA3 GLY 57 0.385 -2.353 16.902 464 H LYS 58 H LYS 58 2.331 -3.921 15.412 465 HA LYS 58 HA LYS 58 4.635 -2.318 15.676 466 HB2 LYS 58 HB2 LYS 58 4.796 -4.730 15.815 467 HB3 LYS 58 HB3 LYS 58 4.200 -4.903 14.170 468 HG2 LYS 58 HG2 LYS 58 6.217 -3.833 13.315 469 HG3 LYS 58 HG3 LYS 58 6.811 -3.626 14.964 470 HD2 LYS 58 HD2 LYS 58 7.860 -5.552 13.934 471 HD3 LYS 58 HD3 LYS 58 6.802 -6.072 15.245 472 HE2 LYS 58 HE2 LYS 58 5.248 -6.020 12.891 473 HE3 LYS 58 HE3 LYS 58 6.764 -6.824 12.490 474 HZ1 LYS 58 HZ1 LYS 58 6.428 -8.322 14.362 475 HZ2 LYS 58 HZ2 LYS 58 5.118 -8.409 13.285 476 HZ3 LYS 58 HZ3 LYS 58 4.965 -7.553 14.742 477 H PHE 59 H PHE 59 2.784 -3.318 12.816 478 HA PHE 59 HA PHE 59 4.481 -1.934 10.982 479 HB2 PHE 59 HB2 PHE 59 1.677 -3.014 10.618 480 HB3 PHE 59 HB3 PHE 59 2.712 -2.424 9.320 481 HD1 PHE 59 HD1 PHE 59 4.831 -3.631 8.799 482 HD2 PHE 59 HD2 PHE 59 1.923 -5.196 11.479 483 HE1 PHE 59 HE1 PHE 59 5.840 -5.864 8.584 484 HE2 PHE 59 HE2 PHE 59 2.930 -7.428 11.272 485 HZ PHE 59 HZ PHE 59 4.890 -7.766 9.825 486 H GLU 60 H GLU 60 1.696 -1.075 12.867 487 HA GLU 60 HA GLU 60 1.167 1.379 11.506 488 HB2 GLU 60 HB2 GLU 60 -0.499 0.230 12.940 489 HB3 GLU 60 HB3 GLU 60 0.497 0.582 14.345 490 HG2 GLU 60 HG2 GLU 60 0.160 2.947 14.055 491 HG3 GLU 60 HG3 GLU 60 -0.718 2.671 12.550 492 H ASP 61 H ASP 61 3.167 0.391 14.226 493 HA ASP 61 HA ASP 61 3.947 2.984 15.046 494 HB2 ASP 61 HB2 ASP 61 4.278 1.143 16.553 495 HB3 ASP 61 HB3 ASP 61 5.282 0.292 15.381 496 H MET 62 H MET 62 5.486 0.610 12.880 497 HA MET 62 HA MET 62 7.759 2.184 12.329 498 HB2 MET 62 HB2 MET 62 8.183 0.701 10.466 499 HB3 MET 62 HB3 MET 62 7.624 -0.243 11.845 500 HG2 MET 62 HG2 MET 62 5.399 -0.376 10.857 501 HG3 MET 62 HG3 MET 62 5.944 0.588 9.486 502 HE1 MET 62 HE1 MET 62 7.851 -2.245 11.423 503 HE2 MET 62 HE2 MET 62 7.467 -3.657 10.439 504 HE3 MET 62 HE3 MET 62 6.194 -2.849 11.351 505 H ALA 63 H ALA 63 4.522 2.252 11.093 506 HA ALA 63 HA ALA 63 5.092 3.882 8.814 507 HB1 ALA 63 HB1 ALA 63 3.089 2.467 8.930 508 HB2 ALA 63 HB2 ALA 63 2.681 4.159 8.649 509 HB3 ALA 63 HB3 ALA 63 2.474 3.458 10.253 510 H LYS 64 H LYS 64 3.839 4.507 12.093 511 HA LYS 64 HA LYS 64 3.604 7.315 11.641 512 HB2 LYS 64 HB2 LYS 64 2.992 7.502 13.928 513 HB3 LYS 64 HB3 LYS 64 2.287 6.015 13.329 514 HG2 LYS 64 HG2 LYS 64 4.086 4.742 14.399 515 HG3 LYS 64 HG3 LYS 64 4.737 6.249 15.050 516 HD2 LYS 64 HD2 LYS 64 2.603 6.646 16.215 517 HD3 LYS 64 HD3 LYS 64 1.990 5.114 15.593 518 HE2 LYS 64 HE2 LYS 64 2.736 4.832 17.871 519 HE3 LYS 64 HE3 LYS 64 3.802 3.941 16.785 520 HZ1 LYS 64 HZ1 LYS 64 4.400 6.640 17.871 521 HZ2 LYS 64 HZ2 LYS 64 5.442 5.650 16.969 522 HZ3 LYS 64 HZ3 LYS 64 4.980 5.191 18.535 523 H ALA 65 H ALA 65 6.120 5.222 12.719 524 HA ALA 65 HA ALA 65 7.910 7.191 13.700 525 HB1 ALA 65 HB1 ALA 65 8.528 4.518 12.438 526 HB2 ALA 65 HB2 ALA 65 8.229 4.806 14.152 527 HB3 ALA 65 HB3 ALA 65 9.651 5.503 13.375 528 H ASP 66 H ASP 66 7.437 5.736 10.487 529 HA ASP 66 HA ASP 66 9.520 7.209 9.239 530 HB2 ASP 66 HB2 ASP 66 8.247 5.080 8.406 531 HB3 ASP 66 HB3 ASP 66 7.113 6.244 7.726 532 H LYS 67 H LYS 67 6.103 7.782 9.795 533 HA LYS 67 HA LYS 67 5.715 10.091 8.311 534 HB2 LYS 67 HB2 LYS 67 3.854 9.092 9.435 535 HB3 LYS 67 HB3 LYS 67 4.624 9.269 11.003 536 HG2 LYS 67 HG2 LYS 67 2.853 10.884 10.758 537 HG3 LYS 67 HG3 LYS 67 4.411 11.707 10.824 538 HD2 LYS 67 HD2 LYS 67 4.387 11.876 8.357 539 HD3 LYS 67 HD3 LYS 67 2.787 11.131 8.346 540 HE2 LYS 67 HE2 LYS 67 3.514 13.727 9.704 541 HE3 LYS 67 HE3 LYS 67 2.658 13.577 8.171 542 HZ1 LYS 67 HZ1 LYS 67 0.846 12.488 9.299 543 HZ2 LYS 67 HZ2 LYS 67 1.163 13.975 10.049 544 HZ3 LYS 67 HZ3 LYS 67 1.678 12.536 10.776 545 H ALA 68 H ALA 68 7.036 9.765 11.596 546 HA ALA 68 HA ALA 68 7.534 12.525 12.004 547 HB1 ALA 68 HB1 ALA 68 8.964 11.802 13.849 548 HB2 ALA 68 HB2 ALA 68 8.920 10.144 13.248 549 HB3 ALA 68 HB3 ALA 68 7.445 10.906 13.846 550 H ARG 69 H ARG 69 9.467 9.898 10.639 551 HA ARG 69 HA ARG 69 11.847 11.379 10.312 552 HB2 ARG 69 HB2 ARG 69 11.860 8.945 10.122 553 HB3 ARG 69 HB3 ARG 69 10.807 9.026 8.716 554 HG2 ARG 69 HG2 ARG 69 13.076 8.629 8.013 555 HG3 ARG 69 HG3 ARG 69 12.568 10.237 7.494 556 HD2 ARG 69 HD2 ARG 69 13.649 11.028 9.711 557 HD3 ARG 69 HD3 ARG 69 14.470 9.470 9.673 558 HE ARG 69 HE ARG 69 14.748 10.847 7.189 559 HH11 ARG 69 HH11 ARG 69 16.009 10.642 10.453 560 HH12 ARG 69 HH12 ARG 69 17.491 11.460 10.066 561 HH21 ARG 69 HH21 ARG 69 16.693 11.926 6.677 562 HH22 ARG 69 HH22 ARG 69 17.889 12.168 7.916 563 H TYR 70 H TYR 70 9.117 10.743 8.141 564 HA TYR 70 HA TYR 70 9.927 12.106 5.892 565 HB2 TYR 70 HB2 TYR 70 7.934 10.725 5.939 566 HB3 TYR 70 HB3 TYR 70 7.167 11.799 7.103 567 HD1 TYR 70 HD1 TYR 70 6.291 13.966 6.397 568 HD2 TYR 70 HD2 TYR 70 8.008 11.266 3.609 569 HE1 TYR 70 HE1 TYR 70 5.286 15.235 4.564 570 HE2 TYR 70 HE2 TYR 70 7.016 12.528 1.758 571 HH TYR 70 HH TYR 70 5.607 15.625 2.201 572 H GLU 71 H GLU 71 8.149 13.350 8.694 573 HA GLU 71 HA GLU 71 7.806 15.968 7.859 574 HB2 GLU 71 HB2 GLU 71 8.054 14.704 10.578 575 HB3 GLU 71 HB3 GLU 71 7.696 16.405 10.373 576 HG2 GLU 71 HG2 GLU 71 6.058 14.145 9.262 577 HG3 GLU 71 HG3 GLU 71 5.676 15.057 10.720 578 H ARG 72 H ARG 72 10.398 14.620 9.903 579 HA ARG 72 HA ARG 72 11.828 17.074 10.072 580 HB2 ARG 72 HB2 ARG 72 12.939 14.291 10.481 581 HB3 ARG 72 HB3 ARG 72 13.592 15.796 11.113 582 HG2 ARG 72 HG2 ARG 72 10.973 14.529 11.886 583 HG3 ARG 72 HG3 ARG 72 12.445 14.561 12.854 584 HD2 ARG 72 HD2 ARG 72 12.309 16.930 13.116 585 HD3 ARG 72 HD3 ARG 72 11.013 17.041 11.925 586 HE ARG 72 HE ARG 72 10.235 15.353 14.061 587 HH11 ARG 72 HH11 ARG 72 10.755 18.722 13.291 588 HH12 ARG 72 HH12 ARG 72 9.573 19.308 14.423 589 HH21 ARG 72 HH21 ARG 72 8.678 16.097 15.548 590 HH22 ARG 72 HH22 ARG 72 8.392 17.811 15.716 591 H GLU 73 H GLU 73 11.883 14.360 7.896 592 HA GLU 73 HA GLU 73 14.336 14.802 6.613 593 HB2 GLU 73 HB2 GLU 73 12.791 12.778 6.447 594 HB3 GLU 73 HB3 GLU 73 11.848 13.714 5.301 595 HG2 GLU 73 HG2 GLU 73 13.221 12.360 3.994 596 HG3 GLU 73 HG3 GLU 73 13.988 13.948 3.960 597 H MET 74 H MET 74 11.038 15.793 5.672 598 HA MET 74 HA MET 74 11.976 17.159 3.343 599 HB2 MET 74 HB2 MET 74 9.277 17.112 4.688 600 HB3 MET 74 HB3 MET 74 9.600 17.953 3.178 601 HG2 MET 74 HG2 MET 74 9.814 14.999 3.688 602 HG3 MET 74 HG3 MET 74 8.606 15.826 2.707 603 HE1 MET 74 HE1 MET 74 9.210 17.081 0.375 604 HE2 MET 74 HE2 MET 74 10.853 17.171 -0.259 605 HE3 MET 74 HE3 MET 74 10.438 18.007 1.237 606 H LYS 75 H LYS 75 11.775 18.085 6.614 607 HA LYS 75 HA LYS 75 11.356 20.868 6.197 608 HB2 LYS 75 HB2 LYS 75 12.477 19.291 8.498 609 HB3 LYS 75 HB3 LYS 75 12.447 21.051 8.517 610 HG2 LYS 75 HG2 LYS 75 10.076 19.209 8.288 611 HG3 LYS 75 HG3 LYS 75 10.519 20.207 9.677 612 HD2 LYS 75 HD2 LYS 75 10.088 22.217 8.466 613 HD3 LYS 75 HD3 LYS 75 9.906 21.331 6.950 614 HE2 LYS 75 HE2 LYS 75 7.928 20.189 7.927 615 HE3 LYS 75 HE3 LYS 75 8.082 21.223 9.348 616 HZ1 LYS 75 HZ1 LYS 75 6.449 21.998 7.656 617 HZ2 LYS 75 HZ2 LYS 75 7.744 22.278 6.592 618 HZ3 LYS 75 HZ3 LYS 75 7.637 23.141 8.050 619 H THR 76 H THR 76 14.148 18.801 6.020 620 HA THR 76 HA THR 76 15.735 21.193 5.380 621 HB THR 76 HB THR 76 16.710 20.122 7.289 622 HG1 THR 76 HG1 THR 76 18.033 20.701 5.235 623 HG21 THR 76 HG21 THR 76 15.734 17.887 7.024 624 HG22 THR 76 HG22 THR 76 17.475 17.809 7.294 625 HG23 THR 76 HG23 THR 76 16.822 17.575 5.672 626 H TYR 77 H TYR 77 15.120 17.834 4.463 627 HA TYR 77 HA TYR 77 15.655 16.579 2.661 628 HB2 TYR 77 HB2 TYR 77 13.691 17.711 1.869 629 HB3 TYR 77 HB3 TYR 77 14.642 19.096 1.357 630 HD1 TYR 77 HD1 TYR 77 16.089 18.934 -0.630 631 HD2 TYR 77 HD2 TYR 77 13.530 15.721 0.494 632 HE1 TYR 77 HE1 TYR 77 16.330 17.968 -2.865 633 HE2 TYR 77 HE2 TYR 77 13.771 14.749 -1.747 634 HH TYR 77 HH TYR 77 14.349 15.467 -4.018 635 H ILE 78 H ILE 78 17.594 15.961 2.155 636 HA ILE 78 HA ILE 78 19.581 17.930 1.278 637 HB ILE 78 HB ILE 78 19.953 15.051 2.143 638 HG12 ILE 78 HG12 ILE 78 21.330 16.252 3.980 639 HG13 ILE 78 HG13 ILE 78 20.439 17.691 3.508 640 HG21 ILE 78 HG21 ILE 78 21.584 15.663 0.448 641 HG22 ILE 78 HG22 ILE 78 22.360 15.501 2.023 642 HG23 ILE 78 HG23 ILE 78 22.022 17.103 1.366 643 HD11 ILE 78 HD11 ILE 78 19.430 16.633 5.437 644 HD12 ILE 78 HD12 ILE 78 19.247 15.128 4.536 645 HD13 ILE 78 HD13 ILE 78 18.341 16.561 4.050 646 HA PRO 79 HA PRO 79 18.920 16.126 -2.785 647 HB2 PRO 79 HB2 PRO 79 19.699 18.289 -4.185 648 HB3 PRO 79 HB3 PRO 79 18.105 18.171 -3.440 649 HG2 PRO 79 HG2 PRO 79 20.456 19.768 -2.626 650 HG3 PRO 79 HG3 PRO 79 18.735 20.067 -2.335 651 HD2 PRO 79 HD2 PRO 79 20.625 18.970 -0.522 652 HD3 PRO 79 HD3 PRO 79 18.875 19.123 -0.288 653 HA PRO 80 HA PRO 80 23.334 15.125 -3.096 654 HB2 PRO 80 HB2 PRO 80 22.991 12.780 -4.380 655 HB3 PRO 80 HB3 PRO 80 22.731 12.941 -2.639 656 HG2 PRO 80 HG2 PRO 80 20.731 12.879 -4.859 657 HG3 PRO 80 HG3 PRO 80 20.660 12.106 -3.265 658 HD2 PRO 80 HD2 PRO 80 19.379 14.450 -3.887 659 HD3 PRO 80 HD3 PRO 80 19.889 14.006 -2.246 660 H LYS 81 H LYS 81 24.736 14.636 -5.003 661 HA LYS 81 HA LYS 81 23.936 16.234 -7.243 662 HB2 LYS 81 HB2 LYS 81 26.446 14.647 -6.703 663 HB3 LYS 81 HB3 LYS 81 26.188 15.568 -8.179 664 HG2 LYS 81 HG2 LYS 81 26.200 16.710 -5.390 665 HG3 LYS 81 HG3 LYS 81 27.528 16.803 -6.547 666 HD2 LYS 81 HD2 LYS 81 24.767 17.947 -6.988 667 HD3 LYS 81 HD3 LYS 81 26.170 18.875 -6.458 668 HE2 LYS 81 HE2 LYS 81 27.333 18.329 -8.523 669 HE3 LYS 81 HE3 LYS 81 25.971 17.343 -9.049 670 HZ1 LYS 81 HZ1 LYS 81 25.853 20.270 -8.537 671 HZ2 LYS 81 HZ2 LYS 81 24.589 19.306 -9.137 672 HZ3 LYS 81 HZ3 LYS 81 25.986 19.556 -10.068 673 H GLY 82 H GLY 82 22.073 14.919 -7.713 674 HA2 GLY 82 HA2 GLY 82 22.751 13.107 -9.914 675 HA3 GLY 82 HA3 GLY 82 21.611 12.538 -8.693 676 H GLU 83 H GLU 83 22.173 15.582 -10.395 677 HA GLU 83 HA GLU 83 19.313 16.109 -10.386 678 HB2 GLU 83 HB2 GLU 83 21.598 17.842 -11.338 679 HB3 GLU 83 HB3 GLU 83 19.950 18.363 -11.012 680 HG2 GLU 83 HG2 GLU 83 20.208 18.028 -8.678 681 HG3 GLU 83 HG3 GLU 83 21.730 17.169 -8.906 682 H LEU 14 H LEU 14 -7.449 -7.247 -49.484 683 HA LEU 14 HA LEU 14 -5.170 -7.112 -48.089 684 HB2 LEU 14 HB2 LEU 14 -7.212 -8.555 -46.394 685 HB3 LEU 14 HB3 LEU 14 -5.480 -8.621 -46.125 686 HG LEU 14 HG LEU 14 -7.179 -6.128 -45.966 687 HD11 LEU 14 HD11 LEU 14 -6.739 -6.253 -43.561 688 HD12 LEU 14 HD12 LEU 14 -5.904 -7.790 -43.796 689 HD13 LEU 14 HD13 LEU 14 -7.630 -7.663 -44.134 690 HD21 LEU 14 HD21 LEU 14 -5.151 -5.097 -45.030 691 HD22 LEU 14 HD22 LEU 14 -4.920 -5.622 -46.698 692 HD23 LEU 14 HD23 LEU 14 -4.253 -6.577 -45.373 693 H SER 15 H SER 15 -3.989 -8.417 -49.267 694 HA SER 15 HA SER 15 -5.160 -10.657 -50.648 695 HB2 SER 15 HB2 SER 15 -3.428 -9.050 -51.601 696 HB3 SER 15 HB3 SER 15 -2.244 -9.868 -50.585 697 HG SER 15 HG SER 15 -3.362 -11.829 -51.762 698 H GLN 16 H GLN 16 -3.565 -10.164 -47.687 699 HA GLN 16 HA GLN 16 -3.180 -13.061 -47.401 700 HB2 GLN 16 HB2 GLN 16 -1.028 -11.711 -47.712 701 HB3 GLN 16 HB3 GLN 16 -1.354 -11.030 -46.123 702 HG2 GLN 16 HG2 GLN 16 0.212 -12.852 -45.950 703 HG3 GLN 16 HG3 GLN 16 -1.305 -13.282 -45.162 704 HE21 GLN 16 HE21 GLN 16 -0.884 -15.481 -45.336 705 HE22 GLN 16 HE22 GLN 16 -0.982 -16.322 -46.843 706 H GLU 17 H GLU 17 -4.147 -13.909 -45.682 707 HA GLU 17 HA GLU 17 -5.882 -12.307 -44.103 708 HB2 GLU 17 HB2 GLU 17 -6.418 -14.426 -42.950 709 HB3 GLU 17 HB3 GLU 17 -6.500 -14.560 -44.701 710 HG2 GLU 17 HG2 GLU 17 -4.463 -15.747 -44.802 711 HG3 GLU 17 HG3 GLU 17 -4.082 -15.376 -43.123 712 H THR 18 H THR 18 -2.600 -12.958 -43.730 713 HA THR 18 HA THR 18 -2.272 -13.454 -41.022 714 HB THR 18 HB THR 18 -0.410 -11.682 -42.593 715 HG1 THR 18 HG1 THR 18 -0.107 -14.477 -42.634 716 HG21 THR 18 HG21 THR 18 0.100 -12.058 -40.219 717 HG22 THR 18 HG22 THR 18 1.305 -12.800 -41.269 718 HG23 THR 18 HG23 THR 18 0.076 -13.800 -40.495 719 H PHE 19 H PHE 19 -2.928 -10.427 -42.679 720 HA PHE 19 HA PHE 19 -2.209 -8.719 -40.534 721 HB2 PHE 19 HB2 PHE 19 -4.061 -8.202 -42.871 722 HB3 PHE 19 HB3 PHE 19 -3.395 -6.969 -41.803 723 HD1 PHE 19 HD1 PHE 19 -0.945 -6.553 -41.787 724 HD2 PHE 19 HD2 PHE 19 -2.797 -9.088 -44.659 725 HE1 PHE 19 HE1 PHE 19 1.054 -6.392 -43.214 726 HE2 PHE 19 HE2 PHE 19 -0.805 -8.931 -46.089 727 HZ PHE 19 HZ PHE 19 1.124 -7.583 -45.368 728 H SER 20 H SER 20 -5.136 -10.409 -41.388 729 HA SER 20 HA SER 20 -6.713 -9.074 -39.356 730 HB2 SER 20 HB2 SER 20 -7.422 -11.548 -40.932 731 HB3 SER 20 HB3 SER 20 -8.527 -10.409 -40.158 732 HG SER 20 HG SER 20 -8.391 -10.027 -42.413 733 H ASP 21 H ASP 21 -4.365 -11.339 -39.347 734 HA ASP 21 HA ASP 21 -5.531 -13.006 -37.236 735 HB2 ASP 21 HB2 ASP 21 -4.408 -14.019 -39.271 736 HB3 ASP 21 HB3 ASP 21 -2.892 -13.356 -38.674 737 H LEU 22 H LEU 22 -3.673 -10.284 -37.667 738 HA LEU 22 HA LEU 22 -1.554 -10.653 -35.843 739 HB2 LEU 22 HB2 LEU 22 -2.829 -8.100 -36.815 740 HB3 LEU 22 HB3 LEU 22 -1.282 -8.214 -35.999 741 HG LEU 22 HG LEU 22 -1.920 -9.446 -38.684 742 HD11 LEU 22 HD11 LEU 22 -0.278 -7.010 -37.996 743 HD12 LEU 22 HD12 LEU 22 -1.869 -7.002 -38.757 744 HD13 LEU 22 HD13 LEU 22 -0.490 -7.708 -39.602 745 HD21 LEU 22 HD21 LEU 22 0.669 -9.237 -37.141 746 HD22 LEU 22 HD22 LEU 22 0.511 -9.815 -38.799 747 HD23 LEU 22 HD23 LEU 22 -0.239 -10.713 -37.479 748 H TRP 23 H TRP 23 -4.769 -9.226 -35.456 749 HA TRP 23 HA TRP 23 -4.187 -8.158 -32.855 750 HB2 TRP 23 HB2 TRP 23 -6.503 -7.435 -32.832 751 HB3 TRP 23 HB3 TRP 23 -5.804 -7.093 -34.410 752 HD1 TRP 23 HD1 TRP 23 -6.585 -8.736 -36.456 753 HE1 TRP 23 HE1 TRP 23 -8.782 -10.041 -36.791 754 HE3 TRP 23 HE3 TRP 23 -8.340 -8.618 -31.652 755 HZ2 TRP 23 HZ2 TRP 23 -10.974 -10.897 -35.221 756 HZ3 TRP 23 HZ3 TRP 23 -10.497 -9.698 -31.157 757 HH2 TRP 23 HH2 TRP 23 -11.780 -10.812 -32.900 758 H LYS 24 H LYS 24 -4.609 -11.251 -33.764 759 HA LYS 24 HA LYS 24 -6.562 -12.133 -31.854 760 HB2 LYS 24 HB2 LYS 24 -4.611 -13.647 -33.593 761 HB3 LYS 24 HB3 LYS 24 -5.822 -14.416 -32.573 762 HG2 LYS 24 HG2 LYS 24 -7.602 -13.359 -33.830 763 HG3 LYS 24 HG3 LYS 24 -6.420 -12.491 -34.813 764 HD2 LYS 24 HD2 LYS 24 -5.562 -14.604 -35.671 765 HD3 LYS 24 HD3 LYS 24 -6.705 -15.491 -34.662 766 HE2 LYS 24 HE2 LYS 24 -8.565 -14.471 -35.870 767 HE3 LYS 24 HE3 LYS 24 -7.424 -13.567 -36.867 768 HZ1 LYS 24 HZ1 LYS 24 -7.739 -16.518 -36.755 769 HZ2 LYS 24 HZ2 LYS 24 -6.513 -15.724 -37.615 770 HZ3 LYS 24 HZ3 LYS 24 -8.138 -15.504 -38.057 771 H LEU 25 H LEU 25 -4.124 -10.694 -30.892 772 HA LEU 25 HA LEU 25 -2.628 -12.590 -29.348 773 HB2 LEU 25 HB2 LEU 25 -2.889 -9.596 -29.047 774 HB3 LEU 25 HB3 LEU 25 -1.716 -10.600 -28.213 775 HG LEU 25 HG LEU 25 -1.852 -10.133 -31.194 776 HD11 LEU 25 HD11 LEU 25 -1.049 -8.204 -29.942 777 HD12 LEU 25 HD12 LEU 25 0.252 -8.952 -30.867 778 HD13 LEU 25 HD13 LEU 25 0.141 -9.218 -29.127 779 HD21 LEU 25 HD21 LEU 25 0.250 -11.389 -31.284 780 HD22 LEU 25 HD22 LEU 25 -1.074 -12.388 -30.686 781 HD23 LEU 25 HD23 LEU 25 0.117 -11.735 -29.560 782 H LEU 26 H LEU 26 -5.639 -10.997 -29.042 783 HA LEU 26 HA LEU 26 -5.825 -11.765 -26.222 784 HB2 LEU 26 HB2 LEU 26 -8.008 -10.454 -26.327 785 HB3 LEU 26 HB3 LEU 26 -6.515 -9.542 -26.398 786 HG LEU 26 HG LEU 26 -6.932 -9.731 -29.014 787 HD11 LEU 26 HD11 LEU 26 -9.717 -9.896 -27.864 788 HD12 LEU 26 HD12 LEU 26 -8.922 -11.119 -28.856 789 HD13 LEU 26 HD13 LEU 26 -9.313 -9.544 -29.543 790 HD21 LEU 26 HD21 LEU 26 -8.391 -7.799 -27.216 791 HD22 LEU 26 HD22 LEU 26 -8.013 -7.549 -28.920 792 HD23 LEU 26 HD23 LEU 26 -6.711 -7.663 -27.737 793 HA PRO 27 HA PRO 27 -8.059 -15.285 -27.647 794 HB2 PRO 27 HB2 PRO 27 -8.603 -15.955 -24.885 795 HB3 PRO 27 HB3 PRO 27 -7.470 -16.717 -26.001 796 HG2 PRO 27 HG2 PRO 27 -6.690 -15.274 -23.826 797 HG3 PRO 27 HG3 PRO 27 -5.716 -15.414 -25.302 798 HD2 PRO 27 HD2 PRO 27 -7.521 -13.184 -24.429 799 HD3 PRO 27 HD3 PRO 27 -5.907 -13.105 -25.165 800 H GLU 28 H GLU 28 -9.865 -14.173 -28.521 801 HA GLU 28 HA GLU 28 -12.244 -15.222 -27.547 802 HB2 GLU 28 HB2 GLU 28 -13.527 -13.277 -26.900 803 HB3 GLU 28 HB3 GLU 28 -12.135 -13.461 -25.845 804 HG2 GLU 28 HG2 GLU 28 -11.023 -11.638 -26.834 805 HG3 GLU 28 HG3 GLU 28 -12.158 -11.586 -28.188 806 H ASN 29 H ASN 29 -14.098 -13.349 -28.646 807 HA ASN 29 HA ASN 29 -13.467 -14.018 -31.424 808 HB2 ASN 29 HB2 ASN 29 -15.899 -14.102 -31.783 809 HB3 ASN 29 HB3 ASN 29 -15.363 -15.214 -30.533 810 HD21 ASN 29 HD21 ASN 29 -17.997 -14.192 -30.972 811 HD22 ASN 29 HD22 ASN 29 -18.456 -13.345 -29.530 812 H ASN 30 H ASN 30 -15.405 -11.464 -29.759 813 HA ASN 30 HA ASN 30 -14.798 -9.758 -32.101 814 HB2 ASN 30 HB2 ASN 30 -17.169 -10.839 -31.906 815 HB3 ASN 30 HB3 ASN 30 -17.439 -9.614 -30.674 816 HD21 ASN 30 HD21 ASN 30 -17.603 -7.455 -31.279 817 HD22 ASN 30 HD22 ASN 30 -17.794 -6.975 -32.928 818 H VAL 31 H VAL 31 -13.908 -9.996 -29.159 819 HA VAL 31 HA VAL 31 -13.162 -8.622 -27.534 820 HB VAL 31 HB VAL 31 -13.840 -6.325 -29.383 821 HG11 VAL 31 HG11 VAL 31 -11.969 -6.503 -27.019 822 HG12 VAL 31 HG12 VAL 31 -13.490 -5.614 -27.085 823 HG13 VAL 31 HG13 VAL 31 -12.131 -5.113 -28.091 824 HG21 VAL 31 HG21 VAL 31 -11.278 -7.897 -29.088 825 HG22 VAL 31 HG22 VAL 31 -11.468 -6.421 -30.035 826 HG23 VAL 31 HG23 VAL 31 -12.346 -7.880 -30.493 827 H LEU 32 H LEU 32 -14.924 -9.378 -26.347 828 HA LEU 32 HA LEU 32 -16.905 -7.281 -25.698 829 HB2 LEU 32 HB2 LEU 32 -17.123 -10.282 -25.362 830 HB3 LEU 32 HB3 LEU 32 -18.325 -9.119 -24.835 831 HG LEU 32 HG LEU 32 -17.526 -9.569 -27.714 832 HD11 LEU 32 HD11 LEU 32 -18.662 -11.518 -26.718 833 HD12 LEU 32 HD12 LEU 32 -19.637 -10.722 -27.953 834 HD13 LEU 32 HD13 LEU 32 -20.001 -10.472 -26.247 835 HD21 LEU 32 HD21 LEU 32 -19.761 -7.973 -26.470 836 HD22 LEU 32 HD22 LEU 32 -19.537 -8.249 -28.197 837 HD23 LEU 32 HD23 LEU 32 -18.343 -7.320 -27.289 838 H SER 33 H SER 33 -14.278 -7.318 -24.767 839 HA SER 33 HA SER 33 -13.781 -8.809 -22.463 840 HB2 SER 33 HB2 SER 33 -12.648 -6.097 -23.172 841 HB3 SER 33 HB3 SER 33 -11.922 -7.292 -22.097 842 HG SER 33 HG SER 33 -12.331 -8.592 -24.305 843 HA PRO 34 HA PRO 34 -16.382 -6.676 -19.542 844 HB2 PRO 34 HB2 PRO 34 -15.726 -8.136 -17.385 845 HB3 PRO 34 HB3 PRO 34 -16.727 -8.796 -18.684 846 HG2 PRO 34 HG2 PRO 34 -13.808 -9.186 -18.151 847 HG3 PRO 34 HG3 PRO 34 -15.025 -10.376 -18.647 848 HD2 PRO 34 HD2 PRO 34 -13.266 -9.192 -20.378 849 HD3 PRO 34 HD3 PRO 34 -14.859 -9.805 -20.859 850 H LEU 35 H LEU 35 -15.926 -6.038 -17.063 851 HA LEU 35 HA LEU 35 -14.120 -3.924 -17.030 852 HB2 LEU 35 HB2 LEU 35 -16.000 -4.172 -15.462 853 HB3 LEU 35 HB3 LEU 35 -15.185 -5.518 -14.694 854 HG LEU 35 HG LEU 35 -13.351 -3.953 -14.031 855 HD11 LEU 35 HD11 LEU 35 -13.696 -2.245 -15.729 856 HD12 LEU 35 HD12 LEU 35 -13.799 -1.550 -14.112 857 HD13 LEU 35 HD13 LEU 35 -15.270 -1.856 -15.035 858 HD21 LEU 35 HD21 LEU 35 -15.114 -4.580 -12.474 859 HD22 LEU 35 HD22 LEU 35 -16.124 -3.261 -13.070 860 HD23 LEU 35 HD23 LEU 35 -14.617 -2.906 -12.224 861 HA PRO 36 HA PRO 36 -10.229 -6.133 -16.868 862 HB2 PRO 36 HB2 PRO 36 -9.289 -3.451 -15.991 863 HB3 PRO 36 HB3 PRO 36 -8.686 -4.478 -17.297 864 HG2 PRO 36 HG2 PRO 36 -10.129 -2.318 -17.838 865 HG3 PRO 36 HG3 PRO 36 -10.373 -3.816 -18.757 866 HD2 PRO 36 HD2 PRO 36 -12.022 -2.658 -16.546 867 HD3 PRO 36 HD3 PRO 36 -12.542 -3.461 -18.039 868 H SER 37 H SER 37 -9.746 -7.399 -15.206 869 HA SER 37 HA SER 37 -10.226 -6.557 -12.481 870 HB2 SER 37 HB2 SER 37 -10.783 -8.851 -13.337 871 HB3 SER 37 HB3 SER 37 -9.056 -9.158 -13.511 872 HG SER 37 HG SER 37 -10.138 -8.323 -11.033 873 H GLN 38 H GLN 38 -8.276 -4.996 -13.697 874 HA GLN 38 HA GLN 38 -5.633 -5.900 -13.085 875 HB2 GLN 38 HB2 GLN 38 -6.109 -4.193 -14.816 876 HB3 GLN 38 HB3 GLN 38 -6.648 -3.087 -13.559 877 HG2 GLN 38 HG2 GLN 38 -4.427 -3.040 -12.604 878 HG3 GLN 38 HG3 GLN 38 -3.870 -4.224 -13.785 879 HE21 GLN 38 HE21 GLN 38 -3.604 -3.591 -15.938 880 HE22 GLN 38 HE22 GLN 38 -3.468 -1.924 -16.387 881 H ALA 39 H ALA 39 -8.001 -3.808 -11.501 882 HA ALA 39 HA ALA 39 -6.351 -3.424 -9.172 883 HB1 ALA 39 HB1 ALA 39 -7.976 -1.710 -9.839 884 HB2 ALA 39 HB2 ALA 39 -8.309 -2.314 -8.216 885 HB3 ALA 39 HB3 ALA 39 -9.291 -2.853 -9.577 886 H MET 40 H MET 40 -5.877 -5.329 -8.193 887 HA MET 40 HA MET 40 -8.152 -7.015 -7.423 888 HB2 MET 40 HB2 MET 40 -6.629 -8.999 -7.636 889 HB3 MET 40 HB3 MET 40 -7.071 -8.228 -9.150 890 HG2 MET 40 HG2 MET 40 -4.898 -7.076 -9.174 891 HG3 MET 40 HG3 MET 40 -4.452 -7.910 -7.679 892 HE1 MET 40 HE1 MET 40 -2.688 -7.959 -10.347 893 HE2 MET 40 HE2 MET 40 -2.229 -9.660 -10.427 894 HE3 MET 40 HE3 MET 40 -2.221 -8.817 -8.879 895 H ASP 41 H ASP 41 -4.718 -6.976 -6.676 896 HA ASP 41 HA ASP 41 -5.431 -6.987 -3.824 897 HB2 ASP 41 HB2 ASP 41 -3.115 -8.409 -5.157 898 HB3 ASP 41 HB3 ASP 41 -3.453 -8.398 -3.430 899 H ASP 42 H ASP 42 -4.449 -4.986 -5.994 900 HA ASP 42 HA ASP 42 -1.986 -3.942 -4.918 901 HB2 ASP 42 HB2 ASP 42 -2.348 -2.131 -6.540 902 HB3 ASP 42 HB3 ASP 42 -2.542 -3.710 -7.293 903 H LEU 43 H LEU 43 -3.940 -4.250 -2.998 904 HA LEU 43 HA LEU 43 -5.657 -2.039 -2.602 905 HB2 LEU 43 HB2 LEU 43 -4.677 -3.998 -0.532 906 HB3 LEU 43 HB3 LEU 43 -6.197 -3.120 -0.540 907 HG LEU 43 HG LEU 43 -5.592 -5.042 -2.764 908 HD11 LEU 43 HD11 LEU 43 -6.691 -6.827 -1.456 909 HD12 LEU 43 HD12 LEU 43 -6.661 -5.784 -0.034 910 HD13 LEU 43 HD13 LEU 43 -5.148 -6.333 -0.761 911 HD21 LEU 43 HD21 LEU 43 -8.024 -5.255 -2.788 912 HD22 LEU 43 HD22 LEU 43 -7.530 -3.569 -2.941 913 HD23 LEU 43 HD23 LEU 43 -8.140 -4.172 -1.401 914 H MET 44 H MET 44 -2.477 -2.913 -1.411 915 HA MET 44 HA MET 44 -2.347 -0.411 0.119 916 HB2 MET 44 HB2 MET 44 -0.064 -2.140 0.471 917 HB3 MET 44 HB3 MET 44 -1.175 -1.506 1.672 918 HG2 MET 44 HG2 MET 44 -1.146 -3.873 1.800 919 HG3 MET 44 HG3 MET 44 -2.712 -3.368 1.169 920 HE1 MET 44 HE1 MET 44 -2.957 -5.961 0.656 921 HE2 MET 44 HE2 MET 44 -1.279 -6.441 0.925 922 HE3 MET 44 HE3 MET 44 -2.063 -6.812 -0.606 923 H LEU 45 H LEU 45 0.028 -2.451 -1.538 924 HA LEU 45 HA LEU 45 1.426 -0.061 -2.400 925 HB2 LEU 45 HB2 LEU 45 2.168 -2.981 -2.691 926 HB3 LEU 45 HB3 LEU 45 3.181 -1.634 -3.177 927 HG LEU 45 HG LEU 45 2.390 -2.397 -0.364 928 HD11 LEU 45 HD11 LEU 45 4.671 -2.795 0.033 929 HD12 LEU 45 HD12 LEU 45 5.160 -1.979 -1.445 930 HD13 LEU 45 HD13 LEU 45 4.358 -3.552 -1.533 931 HD21 LEU 45 HD21 LEU 45 3.815 0.058 -1.343 932 HD22 LEU 45 HD22 LEU 45 3.675 -0.433 0.345 933 HD23 LEU 45 HD23 LEU 45 2.231 0.000 -0.570 934 H SER 46 H SER 46 0.036 0.767 -3.908 935 HA SER 46 HA SER 46 -0.861 -0.795 -6.150 936 HB2 SER 46 HB2 SER 46 -1.008 2.189 -5.675 937 HB3 SER 46 HB3 SER 46 -1.919 1.280 -6.884 938 HG SER 46 HG SER 46 -2.718 0.039 -4.971 939 HA PRO 47 HA PRO 47 2.672 -0.851 -8.649 940 HB2 PRO 47 HB2 PRO 47 0.751 -0.051 -10.802 941 HB3 PRO 47 HB3 PRO 47 1.985 -1.317 -10.809 942 HG2 PRO 47 HG2 PRO 47 -0.558 -1.947 -10.412 943 HG3 PRO 47 HG3 PRO 47 0.723 -2.740 -9.475 944 HD2 PRO 47 HD2 PRO 47 -1.232 -0.668 -8.627 945 HD3 PRO 47 HD3 PRO 47 -0.471 -1.961 -7.682 946 H ASP 48 H ASP 48 0.564 1.940 -9.376 947 HA ASP 48 HA ASP 48 2.544 3.403 -10.752 948 HB2 ASP 48 HB2 ASP 48 0.236 3.942 -11.104 949 HB3 ASP 48 HB3 ASP 48 0.001 4.292 -9.395 950 H ASP 49 H ASP 49 1.427 3.586 -7.392 951 HA ASP 49 HA ASP 49 3.013 5.873 -6.759 952 HB2 ASP 49 HB2 ASP 49 0.889 5.165 -5.586 953 HB3 ASP 49 HB3 ASP 49 1.817 3.871 -4.833 954 H ILE 50 H ILE 50 3.465 2.449 -6.615 955 HA ILE 50 HA ILE 50 5.699 2.630 -4.762 956 HB ILE 50 HB ILE 50 5.637 0.208 -4.722 957 HG12 ILE 50 HG12 ILE 50 3.485 0.523 -6.833 958 HG13 ILE 50 HG13 ILE 50 5.065 -0.213 -7.067 959 HG21 ILE 50 HG21 ILE 50 4.160 1.508 -3.306 960 HG22 ILE 50 HG22 ILE 50 3.411 -0.021 -3.771 961 HG23 ILE 50 HG23 ILE 50 2.925 1.480 -4.560 962 HD11 ILE 50 HD11 ILE 50 4.460 -2.007 -5.543 963 HD12 ILE 50 HD12 ILE 50 3.319 -1.881 -6.882 964 HD13 ILE 50 HD13 ILE 50 2.885 -1.262 -5.289 965 H GLU 51 H GLU 51 5.340 2.812 -8.051 966 HA GLU 51 HA GLU 51 7.209 0.957 -8.977 967 HB2 GLU 51 HB2 GLU 51 5.454 2.133 -10.344 968 HB3 GLU 51 HB3 GLU 51 6.473 3.565 -10.314 969 HG2 GLU 51 HG2 GLU 51 8.212 2.411 -11.511 970 HG3 GLU 51 HG3 GLU 51 7.302 0.904 -11.442 971 H GLN 52 H GLN 52 7.741 3.625 -7.122 972 HA GLN 52 HA GLN 52 10.245 4.513 -8.216 973 HB2 GLN 52 HB2 GLN 52 9.495 4.969 -5.358 974 HB3 GLN 52 HB3 GLN 52 10.301 6.048 -6.483 975 HG2 GLN 52 HG2 GLN 52 8.171 6.399 -7.648 976 HG3 GLN 52 HG3 GLN 52 7.372 5.352 -6.469 977 HE21 GLN 52 HE21 GLN 52 8.844 8.436 -7.024 978 HE22 GLN 52 HE22 GLN 52 8.318 9.175 -5.556 979 H TRP 53 H TRP 53 9.161 2.176 -5.832 980 HA TRP 53 HA TRP 53 11.950 1.412 -5.356 981 HB2 TRP 53 HB2 TRP 53 10.867 0.847 -2.925 982 HB3 TRP 53 HB3 TRP 53 11.770 2.310 -3.301 983 HD1 TRP 53 HD1 TRP 53 10.328 4.555 -3.718 984 HE1 TRP 53 HE1 TRP 53 8.007 5.254 -2.880 985 HE3 TRP 53 HE3 TRP 53 8.575 -0.032 -2.300 986 HZ2 TRP 53 HZ2 TRP 53 5.733 4.028 -1.739 987 HZ3 TRP 53 HZ3 TRP 53 6.320 -0.178 -1.328 988 HH2 TRP 53 HH2 TRP 53 4.934 1.816 -1.053 989 H PHE 54 H PHE 54 8.554 0.387 -5.088 990 HA PHE 54 HA PHE 54 9.137 -2.350 -4.569 991 HB2 PHE 54 HB2 PHE 54 6.921 -1.201 -4.144 992 HB3 PHE 54 HB3 PHE 54 6.646 -1.223 -5.873 993 HD1 PHE 54 HD2 PHE 54 7.495 -3.947 -6.619 994 HD2 PHE 54 HD1 PHE 54 5.320 -2.590 -3.215 995 HE1 PHE 54 HE2 PHE 54 6.425 -6.151 -6.424 996 HE2 PHE 54 HE1 PHE 54 4.256 -4.794 -3.023 997 HZ PHE 54 HZ PHE 54 4.802 -6.576 -4.626 998 H THR 55 H THR 55 7.969 -0.714 -7.487 999 HA THR 55 HA THR 55 8.220 -3.069 -9.073 1000 HB THR 55 HB THR 55 7.863 -0.311 -10.200 1001 HG1 THR 55 HG1 THR 55 5.575 -0.653 -9.674 1002 HG21 THR 55 HG21 THR 55 6.673 -3.008 -10.839 1003 HG22 THR 55 HG22 THR 55 7.933 -2.182 -11.757 1004 HG23 THR 55 HG23 THR 55 6.305 -1.508 -11.687 1005 H GLU 56 H GLU 56 9.728 -3.574 -10.585 1006 HA GLU 56 HA GLU 56 12.244 -2.156 -10.522 1007 HB2 GLU 56 HB2 GLU 56 12.995 -3.975 -12.057 1008 HB3 GLU 56 HB3 GLU 56 12.344 -4.563 -10.532 1009 HG2 GLU 56 HG2 GLU 56 10.236 -5.098 -11.623 1010 HG3 GLU 56 HG3 GLU 56 10.857 -4.474 -13.150 1011 H ASP 57 H ASP 57 13.336 -1.584 -12.584 1012 HA ASP 57 HA ASP 57 11.781 0.246 -14.039 1013 HB2 ASP 57 HB2 ASP 57 14.226 0.456 -13.735 1014 HB3 ASP 57 HB3 ASP 57 14.470 -0.931 -14.790 1015 HA PRO 58 HA PRO 58 9.687 -2.349 -16.916 1016 HB2 PRO 58 HB2 PRO 58 9.272 -0.486 -18.890 1017 HB3 PRO 58 HB3 PRO 58 8.309 -0.602 -17.415 1018 HG2 PRO 58 HG2 PRO 58 10.596 1.224 -18.045 1019 HG3 PRO 58 HG3 PRO 58 9.065 1.586 -17.222 1020 HD2 PRO 58 HD2 PRO 58 11.347 1.228 -15.851 1021 HD3 PRO 58 HD3 PRO 58 9.783 0.671 -15.219 1022 H GLY 59 H GLY 59 12.709 -0.865 -17.648 1023 HA2 GLY 59 HA2 GLY 59 12.962 -2.634 -20.007 1024 HA3 GLY 59 HA3 GLY 59 13.684 -1.031 -19.952 1025 HA PRO 60 HA PRO 60 16.993 -3.850 -18.516 1026 HB2 PRO 60 HB2 PRO 60 18.800 -2.079 -19.928 1027 HB3 PRO 60 HB3 PRO 60 18.454 -3.780 -20.242 1028 HG2 PRO 60 HG2 PRO 60 17.713 -1.762 -21.923 1029 HG3 PRO 60 HG3 PRO 60 16.842 -3.298 -21.792 1030 HD2 PRO 60 HD2 PRO 60 16.185 -0.640 -20.586 1031 HD3 PRO 60 HD3 PRO 60 15.104 -1.848 -21.317 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 8.425 17.696 -11.760 2 H2 GLY 1 HT2 GLY 1 8.385 16.293 -10.806 3 H3 GLY 1 HT3 GLY 1 6.987 16.804 -11.626 4 HA2 GLY 1 HA3 GLY 1 7.988 16.369 -13.744 5 HA3 GLY 1 HA2 GLY 1 9.496 15.939 -12.950 6 H LYS 2 H LYS 2 9.642 13.858 -13.610 7 HA LYS 2 HA LYS 2 7.374 12.059 -13.208 8 HB2 LYS 2 HB2 LYS 2 10.100 11.632 -14.444 9 HB3 LYS 2 HB3 LYS 2 8.887 10.372 -14.282 10 HG2 LYS 2 HG2 LYS 2 8.459 12.924 -15.812 11 HG3 LYS 2 HG3 LYS 2 9.018 11.415 -16.535 12 HD2 LYS 2 HD2 LYS 2 6.918 10.365 -15.513 13 HD3 LYS 2 HD3 LYS 2 6.359 12.021 -15.274 14 HE2 LYS 2 HE2 LYS 2 5.490 11.125 -17.360 15 HE3 LYS 2 HE3 LYS 2 6.619 12.444 -17.680 16 HZ1 LYS 2 HZ1 LYS 2 8.342 10.797 -18.142 17 HZ2 LYS 2 HZ2 LYS 2 7.011 10.589 -19.174 18 HZ3 LYS 2 HZ3 LYS 2 7.240 9.541 -17.855 19 H GLY 3 H GLY 3 10.833 11.487 -12.680 20 HA2 GLY 3 HA2 GLY 3 10.144 10.453 -10.000 21 HA3 GLY 3 HA3 GLY 3 11.396 9.759 -11.023 22 H ASP 4 H ASP 4 11.749 10.699 -8.349 23 HA ASP 4 HA ASP 4 13.934 12.535 -8.826 24 HB2 ASP 4 HB2 ASP 4 12.049 14.068 -8.461 25 HB3 ASP 4 HB3 ASP 4 11.679 13.263 -6.939 26 HA PRO 5 HA PRO 5 15.486 9.744 -5.784 27 HB2 PRO 5 HB2 PRO 5 17.878 11.380 -5.613 28 HB3 PRO 5 HB3 PRO 5 17.679 9.775 -6.321 29 HG2 PRO 5 HG2 PRO 5 18.151 12.004 -7.806 30 HG3 PRO 5 HG3 PRO 5 17.240 10.609 -8.410 31 HD2 PRO 5 HD2 PRO 5 16.232 13.223 -7.356 32 HD3 PRO 5 HD3 PRO 5 15.656 12.274 -8.745 33 H LYS 6 H LYS 6 14.662 12.884 -5.172 34 HA LYS 6 HA LYS 6 15.447 12.654 -2.352 35 HB2 LYS 6 HB2 LYS 6 14.826 15.132 -3.962 36 HB3 LYS 6 HB3 LYS 6 15.121 15.130 -2.229 37 HG2 LYS 6 HG2 LYS 6 17.168 15.752 -3.103 38 HG3 LYS 6 HG3 LYS 6 17.367 14.020 -2.840 39 HD2 LYS 6 HD2 LYS 6 18.282 14.599 -4.988 40 HD3 LYS 6 HD3 LYS 6 16.821 13.641 -5.224 41 HE2 LYS 6 HE2 LYS 6 16.832 15.462 -6.793 42 HE3 LYS 6 HE3 LYS 6 15.560 15.734 -5.605 43 HZ1 LYS 6 HZ1 LYS 6 18.250 16.994 -5.506 44 HZ2 LYS 6 HZ2 LYS 6 16.940 17.331 -4.487 45 HZ3 LYS 6 HZ3 LYS 6 16.864 17.741 -6.133 46 H LYS 7 H LYS 7 13.089 11.847 -4.146 47 HA LYS 7 HA LYS 7 10.884 12.858 -2.517 48 HB2 LYS 7 HB2 LYS 7 11.136 11.869 -5.192 49 HB3 LYS 7 HB3 LYS 7 10.055 10.806 -4.311 50 HG2 LYS 7 HG2 LYS 7 9.724 13.785 -4.537 51 HG3 LYS 7 HG3 LYS 7 8.880 12.588 -5.516 52 HD2 LYS 7 HD2 LYS 7 8.697 12.889 -2.519 53 HD3 LYS 7 HD3 LYS 7 7.463 13.352 -3.692 54 HE2 LYS 7 HE2 LYS 7 8.458 10.565 -3.112 55 HE3 LYS 7 HE3 LYS 7 6.885 11.231 -2.682 56 HZ1 LYS 7 HZ1 LYS 7 7.873 10.817 -5.451 57 HZ2 LYS 7 HZ2 LYS 7 6.352 11.427 -5.029 58 HZ3 LYS 7 HZ3 LYS 7 6.764 9.822 -4.649 59 HA PRO 8 HA PRO 8 11.640 9.289 0.070 60 HB2 PRO 8 HB2 PRO 8 9.406 10.192 1.677 61 HB3 PRO 8 HB3 PRO 8 11.121 10.169 2.082 62 HG2 PRO 8 HG2 PRO 8 9.682 12.462 1.660 63 HG3 PRO 8 HG3 PRO 8 11.431 12.332 1.429 64 HD2 PRO 8 HD2 PRO 8 9.244 12.343 -0.594 65 HD3 PRO 8 HD3 PRO 8 10.886 13.013 -0.695 66 H ARG 9 H ARG 9 10.290 7.500 0.963 67 HA ARG 9 HA ARG 9 8.579 6.487 -1.057 68 HB2 ARG 9 HB2 ARG 9 10.071 5.258 0.718 69 HB3 ARG 9 HB3 ARG 9 8.627 5.355 1.714 70 HG2 ARG 9 HG2 ARG 9 7.388 3.991 0.244 71 HG3 ARG 9 HG3 ARG 9 8.583 4.172 -1.044 72 HD2 ARG 9 HD2 ARG 9 9.053 2.776 1.588 73 HD3 ARG 9 HD3 ARG 9 8.696 1.969 0.061 74 HE ARG 9 HE ARG 9 10.820 2.758 -0.776 75 HH11 ARG 9 HH11 ARG 9 10.322 3.187 2.661 76 HH12 ARG 9 HH12 ARG 9 12.025 3.210 3.032 77 HH21 ARG 9 HH21 ARG 9 13.063 2.777 -0.291 78 HH22 ARG 9 HH22 ARG 9 13.573 2.984 1.358 79 H GLY 10 H GLY 10 8.047 8.183 1.936 80 HA2 GLY 10 HA2 GLY 10 6.147 9.740 1.735 81 HA3 GLY 10 HA3 GLY 10 5.215 8.386 1.124 82 H LYS 11 H LYS 11 3.686 8.049 2.534 83 HA LYS 11 HA LYS 11 4.376 7.790 5.376 84 HB2 LYS 11 HB2 LYS 11 2.179 8.912 5.894 85 HB3 LYS 11 HB3 LYS 11 3.432 9.959 5.246 86 HG2 LYS 11 HG2 LYS 11 2.376 9.830 3.035 87 HG3 LYS 11 HG3 LYS 11 1.105 8.814 3.716 88 HD2 LYS 11 HD2 LYS 11 0.433 11.185 3.519 89 HD3 LYS 11 HD3 LYS 11 0.408 10.605 5.186 90 HE2 LYS 11 HE2 LYS 11 2.529 11.679 5.632 91 HE3 LYS 11 HE3 LYS 11 2.674 12.161 3.941 92 HZ1 LYS 11 HZ1 LYS 11 1.920 13.950 5.445 93 HZ2 LYS 11 HZ2 LYS 11 0.496 13.069 5.747 94 HZ3 LYS 11 HZ3 LYS 11 0.832 13.630 4.181 95 H MET 12 H MET 12 3.890 5.968 3.148 96 HA MET 12 HA MET 12 1.647 4.620 2.796 97 HB2 MET 12 HB2 MET 12 4.284 3.392 3.600 98 HB3 MET 12 HB3 MET 12 2.957 2.499 2.871 99 HG2 MET 12 HG2 MET 12 3.140 3.741 0.842 100 HG3 MET 12 HG3 MET 12 4.309 4.845 1.566 101 HE1 MET 12 HE1 MET 12 5.278 0.376 1.037 102 HE2 MET 12 HE2 MET 12 3.662 1.041 0.801 103 HE3 MET 12 HE3 MET 12 4.394 1.052 2.408 104 H SER 13 H SER 13 0.088 3.672 3.900 105 HA SER 13 HA SER 13 -0.005 3.784 6.724 106 HB2 SER 13 HB2 SER 13 -1.816 2.199 4.889 107 HB3 SER 13 HB3 SER 13 -2.205 2.836 6.492 108 HG SER 13 HG SER 13 -1.639 4.968 5.417 109 H SER 14 H SER 14 -0.746 1.793 8.003 110 HA SER 14 HA SER 14 1.420 0.086 8.309 111 HB2 SER 14 HB2 SER 14 -0.174 -1.273 9.733 112 HB3 SER 14 HB3 SER 14 -0.059 0.439 10.146 113 HG SER 14 HG SER 14 -2.246 -0.725 9.840 114 H TYR 15 H TYR 15 -1.591 -0.418 6.564 115 HA TYR 15 HA TYR 15 -1.359 -3.122 5.959 116 HB2 TYR 15 HB2 TYR 15 -3.320 -1.550 5.553 117 HB3 TYR 15 HB3 TYR 15 -2.480 -1.016 4.104 118 HD1 TYR 15 HD2 TYR 15 -1.828 -4.442 4.609 119 HD2 TYR 15 HD1 TYR 15 -4.833 -1.773 3.229 120 HE1 TYR 15 HE2 TYR 15 -2.872 -6.283 3.361 121 HE2 TYR 15 HE1 TYR 15 -5.893 -3.600 1.975 122 HH TYR 15 HH TYR 15 -5.290 -5.758 1.009 123 H ALA 16 H ALA 16 -0.159 -0.297 4.164 124 HA ALA 16 HA ALA 16 1.060 -1.912 2.132 125 HB1 ALA 16 HB1 ALA 16 1.956 0.175 1.254 126 HB2 ALA 16 HB2 ALA 16 1.428 1.025 2.710 127 HB3 ALA 16 HB3 ALA 16 0.234 0.332 1.614 128 H PHE 17 H PHE 17 2.067 -0.455 5.136 129 HA PHE 17 HA PHE 17 4.859 -0.668 4.733 130 HB2 PHE 17 HB2 PHE 17 3.157 0.264 6.776 131 HB3 PHE 17 HB3 PHE 17 4.164 -0.984 7.507 132 HD1 PHE 17 HD2 PHE 17 4.473 1.919 5.214 133 HD2 PHE 17 HD1 PHE 17 6.204 -0.355 8.362 134 HE1 PHE 17 HE2 PHE 17 6.334 3.506 5.319 135 HE2 PHE 17 HE1 PHE 17 8.081 1.236 8.482 136 HZ PHE 17 HZ PHE 17 8.147 3.170 6.959 137 H PHE 18 H PHE 18 2.447 -2.821 6.106 138 HA PHE 18 HA PHE 18 4.039 -4.937 6.924 139 HB2 PHE 18 HB2 PHE 18 1.735 -5.035 7.432 140 HB3 PHE 18 HB3 PHE 18 1.266 -4.785 5.757 141 HD1 PHE 18 HD1 PHE 18 2.820 -7.249 8.059 142 HD2 PHE 18 HD2 PHE 18 0.824 -6.573 4.365 143 HE1 PHE 18 HE1 PHE 18 2.563 -9.679 7.754 144 HE2 PHE 18 HE2 PHE 18 0.568 -8.994 4.050 145 HZ PHE 18 HZ PHE 18 1.431 -10.548 5.743 146 H VAL 19 H VAL 19 2.684 -4.270 3.716 147 HA VAL 19 HA VAL 19 3.850 -6.527 2.451 148 HB VAL 19 HB VAL 19 3.222 -3.985 0.980 149 HG11 VAL 19 HG11 VAL 19 2.565 -5.444 -0.794 150 HG12 VAL 19 HG12 VAL 19 2.687 -6.855 0.250 151 HG13 VAL 19 HG13 VAL 19 4.147 -5.976 -0.215 152 HG21 VAL 19 HG21 VAL 19 1.367 -4.227 2.454 153 HG22 VAL 19 HG22 VAL 19 1.248 -5.950 2.098 154 HG23 VAL 19 HG23 VAL 19 0.882 -4.761 0.845 155 H GLN 20 H GLN 20 4.863 -3.175 2.876 156 HA GLN 20 HA GLN 20 7.018 -3.122 1.120 157 HB2 GLN 20 HB2 GLN 20 6.182 -1.096 2.166 158 HB3 GLN 20 HB3 GLN 20 6.696 -1.666 3.750 159 HG2 GLN 20 HG2 GLN 20 9.044 -1.702 2.861 160 HG3 GLN 20 HG3 GLN 20 8.434 -0.885 1.428 161 HE21 GLN 20 HE21 GLN 20 6.510 0.670 2.945 162 HE22 GLN 20 HE22 GLN 20 7.428 1.901 3.725 163 H THR 21 H THR 21 7.106 -3.813 4.627 164 HA THR 21 HA THR 21 9.891 -4.176 4.691 165 HB THR 21 HB THR 21 8.695 -3.653 6.712 166 HG1 THR 21 HG1 THR 21 10.341 -5.845 6.520 167 HG21 THR 21 HG21 THR 21 7.418 -6.379 6.511 168 HG22 THR 21 HG22 THR 21 6.602 -4.841 6.229 169 HG23 THR 21 HG23 THR 21 7.223 -5.227 7.837 170 H CYS 22 H CYS 22 7.265 -6.500 4.171 171 HA CYS 22 HA CYS 22 8.980 -8.785 4.263 172 HB2 CYS 22 HB2 CYS 22 6.286 -8.511 2.913 173 HB3 CYS 22 HB3 CYS 22 7.073 -10.011 3.390 174 HG CYS 22 HG CYS 22 5.358 -7.789 5.266 175 H ARG 23 H ARG 23 7.655 -6.764 1.702 176 HA ARG 23 HA ARG 23 8.624 -8.258 -0.495 177 HB2 ARG 23 HB2 ARG 23 6.810 -6.764 -0.834 178 HB3 ARG 23 HB3 ARG 23 7.701 -5.410 -0.155 179 HG2 ARG 23 HG2 ARG 23 9.314 -5.895 -2.172 180 HG3 ARG 23 HG3 ARG 23 7.862 -6.633 -2.855 181 HD2 ARG 23 HD2 ARG 23 8.042 -4.291 -3.516 182 HD3 ARG 23 HD3 ARG 23 6.628 -4.552 -2.491 183 HE ARG 23 HE ARG 23 7.668 -3.376 -0.767 184 HH11 ARG 23 HH11 ARG 23 9.748 -3.611 -3.561 185 HH12 ARG 23 HH12 ARG 23 10.743 -2.263 -3.105 186 HH21 ARG 23 HH21 ARG 23 8.987 -1.611 -0.134 187 HH22 ARG 23 HH22 ARG 23 10.356 -1.162 -1.104 188 H GLU 24 H GLU 24 9.824 -5.285 1.056 189 HA GLU 24 HA GLU 24 11.840 -4.962 -0.940 190 HB2 GLU 24 HB2 GLU 24 10.687 -3.066 0.088 191 HB3 GLU 24 HB3 GLU 24 11.415 -3.451 1.635 192 HG2 GLU 24 HG2 GLU 24 13.602 -2.957 0.789 193 HG3 GLU 24 HG3 GLU 24 12.970 -2.770 -0.844 194 H GLU 25 H GLU 25 11.866 -6.051 2.451 195 HA GLU 25 HA GLU 25 14.677 -6.234 2.635 196 HB2 GLU 25 HB2 GLU 25 12.499 -7.771 4.056 197 HB3 GLU 25 HB3 GLU 25 14.207 -7.947 4.418 198 HG2 GLU 25 HG2 GLU 25 14.299 -5.536 4.900 199 HG3 GLU 25 HG3 GLU 25 12.548 -5.474 4.719 200 H HIS 26 H HIS 26 12.199 -8.469 1.506 201 HA HIS 26 HA HIS 26 13.870 -10.640 0.904 202 HB2 HIS 26 HB2 HIS 26 11.437 -10.837 0.945 203 HB3 HIS 26 HB3 HIS 26 11.302 -9.741 -0.424 204 HD1 HIS 26 HD1 HIS 26 11.023 -10.870 -2.605 205 HD2 HIS 26 HD2 HIS 26 12.962 -13.306 0.145 206 HE1 HIS 26 HE1 HIS 26 11.328 -13.076 -3.761 207 HE2 HIS 26 HE2 HIS 26 12.370 -14.586 -2.031 208 H LYS 27 H LYS 27 13.244 -7.652 -0.824 209 HA LYS 27 HA LYS 27 14.448 -8.558 -3.272 210 HB2 LYS 27 HB2 LYS 27 13.526 -5.854 -2.316 211 HB3 LYS 27 HB3 LYS 27 14.351 -6.070 -3.852 212 HG2 LYS 27 HG2 LYS 27 11.731 -7.309 -3.033 213 HG3 LYS 27 HG3 LYS 27 11.966 -5.999 -4.192 214 HD2 LYS 27 HD2 LYS 27 12.892 -8.857 -4.464 215 HD3 LYS 27 HD3 LYS 27 11.624 -8.059 -5.394 216 HE2 LYS 27 HE2 LYS 27 13.324 -6.503 -6.300 217 HE3 LYS 27 HE3 LYS 27 14.569 -7.401 -5.434 218 HZ1 LYS 27 HZ1 LYS 27 14.643 -8.352 -7.510 219 HZ2 LYS 27 HZ2 LYS 27 12.975 -8.206 -7.771 220 HZ3 LYS 27 HZ3 LYS 27 13.570 -9.405 -6.724 221 H LYS 28 H LYS 28 15.481 -6.606 -0.507 222 HA LYS 28 HA LYS 28 17.981 -5.874 -1.655 223 HB2 LYS 28 HB2 LYS 28 17.074 -5.930 1.228 224 HB3 LYS 28 HB3 LYS 28 18.585 -5.219 0.670 225 HG2 LYS 28 HG2 LYS 28 17.395 -3.599 -0.648 226 HG3 LYS 28 HG3 LYS 28 15.855 -4.364 -0.262 227 HD2 LYS 28 HD2 LYS 28 16.223 -3.815 2.119 228 HD3 LYS 28 HD3 LYS 28 17.709 -2.972 1.669 229 HE2 LYS 28 HE2 LYS 28 16.480 -1.405 0.330 230 HE3 LYS 28 HE3 LYS 28 14.990 -2.312 0.560 231 HZ1 LYS 28 HZ1 LYS 28 14.773 -0.605 2.055 232 HZ2 LYS 28 HZ2 LYS 28 16.417 -0.583 2.464 233 HZ3 LYS 28 HZ3 LYS 28 15.419 -1.820 3.048 234 H LYS 29 H LYS 29 16.925 -8.542 0.386 235 HA LYS 29 HA LYS 29 19.608 -9.579 0.651 236 HB2 LYS 29 HB2 LYS 29 16.970 -10.867 1.368 237 HB3 LYS 29 HB3 LYS 29 18.566 -11.390 1.892 238 HG2 LYS 29 HG2 LYS 29 18.871 -9.364 3.148 239 HG3 LYS 29 HG3 LYS 29 17.340 -8.725 2.544 240 HD2 LYS 29 HD2 LYS 29 16.222 -10.711 3.615 241 HD3 LYS 29 HD3 LYS 29 17.769 -11.063 4.393 242 HE2 LYS 29 HE2 LYS 29 17.742 -8.799 5.378 243 HE3 LYS 29 HE3 LYS 29 16.151 -8.535 4.664 244 HZ1 LYS 29 HZ1 LYS 29 15.907 -9.194 6.948 245 HZ2 LYS 29 HZ2 LYS 29 16.863 -10.571 6.708 246 HZ3 LYS 29 HZ3 LYS 29 15.346 -10.455 5.960 247 H HIS 30 H HIS 30 16.953 -9.942 -1.518 248 HA HIS 30 HA HIS 30 18.536 -11.837 -3.089 249 HB2 HIS 30 HB2 HIS 30 15.608 -12.206 -2.424 250 HB3 HIS 30 HB3 HIS 30 16.448 -13.092 -3.690 251 HD1 HIS 30 HD1 HIS 30 18.337 -14.762 -2.886 252 HD2 HIS 30 HD2 HIS 30 15.912 -13.202 0.109 253 HE1 HIS 30 HE1 HIS 30 18.700 -16.238 -0.885 254 HE2 HIS 30 HE2 HIS 30 17.004 -15.444 0.803 255 HA PRO 31 HA PRO 31 17.114 -8.221 -5.580 256 HB2 PRO 31 HB2 PRO 31 19.587 -8.864 -7.059 257 HB3 PRO 31 HB3 PRO 31 19.062 -7.325 -6.370 258 HG2 PRO 31 HG2 PRO 31 21.062 -8.740 -5.283 259 HG3 PRO 31 HG3 PRO 31 19.930 -7.811 -4.282 260 HD2 PRO 31 HD2 PRO 31 20.022 -10.757 -4.813 261 HD3 PRO 31 HD3 PRO 31 19.668 -9.892 -3.301 262 H ASP 32 H ASP 32 18.530 -11.268 -6.646 263 HA ASP 32 HA ASP 32 17.552 -11.215 -9.296 264 HB2 ASP 32 HB2 ASP 32 18.353 -13.583 -7.593 265 HB3 ASP 32 HB3 ASP 32 18.128 -13.610 -9.339 266 H ALA 33 H ALA 33 16.113 -12.114 -6.288 267 HA ALA 33 HA ALA 33 14.070 -13.764 -7.472 268 HB1 ALA 33 HB1 ALA 33 14.892 -14.265 -5.228 269 HB2 ALA 33 HB2 ALA 33 13.160 -13.921 -5.211 270 HB3 ALA 33 HB3 ALA 33 14.310 -12.701 -4.660 271 H SER 34 H SER 34 12.678 -12.721 -8.749 272 HA SER 34 HA SER 34 11.499 -10.197 -7.894 273 HB2 SER 34 HB2 SER 34 10.975 -11.899 -10.348 274 HB3 SER 34 HB3 SER 34 10.301 -10.295 -10.053 275 HG SER 34 HG SER 34 12.110 -9.429 -10.670 276 H VAL 35 H VAL 35 9.439 -9.997 -7.107 277 HA VAL 35 HA VAL 35 8.135 -12.465 -6.290 278 HB VAL 35 HB VAL 35 6.717 -11.146 -4.893 279 HG11 VAL 35 HG11 VAL 35 8.308 -9.873 -3.522 280 HG12 VAL 35 HG12 VAL 35 9.501 -10.003 -4.814 281 HG13 VAL 35 HG13 VAL 35 8.932 -11.455 -3.990 282 HG21 VAL 35 HG21 VAL 35 7.791 -8.718 -6.316 283 HG22 VAL 35 HG22 VAL 35 6.726 -8.686 -4.909 284 HG23 VAL 35 HG23 VAL 35 6.155 -9.373 -6.432 285 H ASN 36 H ASN 36 5.900 -12.879 -6.773 286 HA ASN 36 HA ASN 36 5.034 -11.768 -9.320 287 HB2 ASN 36 HB2 ASN 36 3.707 -13.863 -7.579 288 HB3 ASN 36 HB3 ASN 36 3.212 -13.414 -9.206 289 HD21 ASN 36 HD21 ASN 36 5.388 -15.238 -7.282 290 HD22 ASN 36 HD22 ASN 36 6.206 -16.037 -8.575 291 H PHE 37 H PHE 37 3.821 -10.004 -9.380 292 HA PHE 37 HA PHE 37 3.288 -8.503 -7.117 293 HB2 PHE 37 HB2 PHE 37 3.447 -7.451 -9.267 294 HB3 PHE 37 HB3 PHE 37 2.047 -8.337 -9.863 295 HD1 PHE 37 HD2 PHE 37 2.729 -6.296 -6.807 296 HD2 PHE 37 HD1 PHE 37 0.258 -6.950 -10.209 297 HE1 PHE 37 HE2 PHE 37 1.257 -4.466 -6.082 298 HE2 PHE 37 HE1 PHE 37 -1.221 -5.119 -9.488 299 HZ PHE 37 HZ PHE 37 -0.721 -3.874 -7.421 300 H SER 38 H SER 38 0.822 -10.149 -9.109 301 HA SER 38 HA SER 38 -1.297 -9.533 -7.361 302 HB2 SER 38 HB2 SER 38 -1.073 -11.750 -9.408 303 HB3 SER 38 HB3 SER 38 -2.573 -11.201 -8.656 304 HG SER 38 HG SER 38 -2.150 -9.118 -9.558 305 H GLU 39 H GLU 39 0.909 -12.264 -7.496 306 HA GLU 39 HA GLU 39 -0.532 -13.947 -5.724 307 HB2 GLU 39 HB2 GLU 39 2.419 -13.888 -6.363 308 HB3 GLU 39 HB3 GLU 39 1.593 -15.185 -5.510 309 HG2 GLU 39 HG2 GLU 39 1.028 -14.314 -8.333 310 HG3 GLU 39 HG3 GLU 39 1.988 -15.716 -7.860 311 H PHE 40 H PHE 40 2.167 -11.694 -5.264 312 HA PHE 40 HA PHE 40 2.614 -12.273 -2.550 313 HB2 PHE 40 HB2 PHE 40 4.135 -11.006 -4.168 314 HB3 PHE 40 HB3 PHE 40 3.132 -9.597 -3.849 315 HD1 PHE 40 HD2 PHE 40 5.416 -12.047 -2.317 316 HD2 PHE 40 HD1 PHE 40 3.396 -8.334 -1.869 317 HE1 PHE 40 HE2 PHE 40 6.773 -11.553 -0.325 318 HE2 PHE 40 HE1 PHE 40 4.747 -7.831 0.121 319 HZ PHE 40 HZ PHE 40 6.439 -9.447 0.900 320 H SER 41 H SER 41 0.831 -9.578 -4.053 321 HA SER 41 HA SER 41 -0.058 -8.426 -1.660 322 HB2 SER 41 HB2 SER 41 -1.431 -8.347 -4.354 323 HB3 SER 41 HB3 SER 41 -1.608 -7.179 -3.044 324 HG SER 41 HG SER 41 0.258 -7.283 -4.974 325 H LYS 42 H LYS 42 -1.408 -10.983 -3.657 326 HA LYS 42 HA LYS 42 -3.966 -11.102 -2.503 327 HB2 LYS 42 HB2 LYS 42 -3.432 -12.143 -4.631 328 HB3 LYS 42 HB3 LYS 42 -2.318 -13.247 -3.841 329 HG2 LYS 42 HG2 LYS 42 -4.077 -14.435 -2.808 330 HG3 LYS 42 HG3 LYS 42 -5.256 -13.183 -3.220 331 HD2 LYS 42 HD2 LYS 42 -5.333 -15.235 -4.670 332 HD3 LYS 42 HD3 LYS 42 -5.132 -13.714 -5.540 333 HE2 LYS 42 HE2 LYS 42 -2.638 -14.175 -5.483 334 HE3 LYS 42 HE3 LYS 42 -3.047 -15.799 -4.931 335 HZ1 LYS 42 HZ1 LYS 42 -4.072 -14.608 -7.452 336 HZ2 LYS 42 HZ2 LYS 42 -4.205 -16.227 -6.952 337 HZ3 LYS 42 HZ3 LYS 42 -2.686 -15.587 -7.368 338 H LYS 43 H LYS 43 -1.087 -13.144 -1.816 339 HA LYS 43 HA LYS 43 -2.425 -14.440 0.339 340 HB2 LYS 43 HB2 LYS 43 -0.225 -15.404 0.895 341 HB3 LYS 43 HB3 LYS 43 -0.658 -15.612 -0.792 342 HG2 LYS 43 HG2 LYS 43 0.833 -13.768 -1.396 343 HG3 LYS 43 HG3 LYS 43 1.275 -13.579 0.302 344 HD2 LYS 43 HD2 LYS 43 2.247 -15.761 0.363 345 HD3 LYS 43 HD3 LYS 43 1.623 -16.137 -1.241 346 HE2 LYS 43 HE2 LYS 43 3.939 -15.649 -1.462 347 HE3 LYS 43 HE3 LYS 43 3.036 -14.298 -2.142 348 HZ1 LYS 43 HZ1 LYS 43 4.304 -14.363 0.551 349 HZ2 LYS 43 HZ2 LYS 43 3.429 -13.065 -0.097 350 HZ3 LYS 43 HZ3 LYS 43 4.887 -13.541 -0.810 351 H CYS 44 H CYS 44 -0.306 -11.653 0.124 352 HA CYS 44 HA CYS 44 0.137 -11.489 2.937 353 HB2 CYS 44 HB2 CYS 44 0.568 -9.501 0.710 354 HB3 CYS 44 HB3 CYS 44 1.000 -9.186 2.388 355 HG CYS 44 HG CYS 44 3.313 -10.286 2.273 356 H SER 45 H SER 45 -2.355 -10.257 0.789 357 HA SER 45 HA SER 45 -3.382 -8.308 2.556 358 HB2 SER 45 HB2 SER 45 -5.426 -8.381 1.233 359 HB3 SER 45 HB3 SER 45 -4.031 -8.452 0.157 360 HG SER 45 HG SER 45 -4.379 -10.637 -0.126 361 H GLU 46 H GLU 46 -4.315 -11.698 2.011 362 HA GLU 46 HA GLU 46 -6.214 -11.811 4.081 363 HB2 GLU 46 HB2 GLU 46 -4.537 -14.057 2.950 364 HB3 GLU 46 HB3 GLU 46 -6.026 -14.237 3.870 365 HG2 GLU 46 HG2 GLU 46 -7.228 -13.013 2.093 366 HG3 GLU 46 HG3 GLU 46 -5.733 -12.964 1.157 367 H ARG 47 H ARG 47 -2.736 -12.443 4.026 368 HA ARG 47 HA ARG 47 -2.425 -13.358 6.645 369 HB2 ARG 47 HB2 ARG 47 -0.637 -11.898 4.738 370 HB3 ARG 47 HB3 ARG 47 -0.113 -12.152 6.395 371 HG2 ARG 47 HG2 ARG 47 -1.138 -14.579 5.187 372 HG3 ARG 47 HG3 ARG 47 0.211 -13.891 4.281 373 HD2 ARG 47 HD2 ARG 47 0.947 -15.489 6.005 374 HD3 ARG 47 HD3 ARG 47 1.586 -13.867 6.262 375 HE ARG 47 HE ARG 47 -0.842 -14.573 7.718 376 HH11 ARG 47 HH11 ARG 47 2.645 -14.265 7.743 377 HH12 ARG 47 HH12 ARG 47 2.764 -14.138 9.471 378 HH21 ARG 47 HH21 ARG 47 -0.713 -14.396 9.995 379 HH22 ARG 47 HH22 ARG 47 0.845 -14.214 10.758 380 H TRP 48 H TRP 48 -2.105 -10.022 5.418 381 HA TRP 48 HA TRP 48 -1.671 -8.735 7.823 382 HB2 TRP 48 HB2 TRP 48 -1.420 -7.476 5.833 383 HB3 TRP 48 HB3 TRP 48 -3.061 -7.839 5.303 384 HD1 TRP 48 HD1 TRP 48 -4.910 -6.135 5.943 385 HE1 TRP 48 HE1 TRP 48 -4.986 -3.982 7.362 386 HE3 TRP 48 HE3 TRP 48 -0.272 -6.403 8.063 387 HZ2 TRP 48 HZ2 TRP 48 -3.301 -2.600 9.146 388 HZ3 TRP 48 HZ3 TRP 48 0.417 -4.629 9.617 389 HH2 TRP 48 HH2 TRP 48 -1.065 -2.768 10.145 390 H LYS 49 H LYS 49 -4.783 -9.341 6.229 391 HA LYS 49 HA LYS 49 -6.311 -7.916 8.103 392 HB2 LYS 49 HB2 LYS 49 -7.206 -10.134 6.258 393 HB3 LYS 49 HB3 LYS 49 -8.248 -8.952 7.040 394 HG2 LYS 49 HG2 LYS 49 -7.152 -7.157 5.785 395 HG3 LYS 49 HG3 LYS 49 -6.110 -8.347 5.009 396 HD2 LYS 49 HD2 LYS 49 -8.038 -9.409 3.988 397 HD3 LYS 49 HD3 LYS 49 -9.117 -8.282 4.813 398 HE2 LYS 49 HE2 LYS 49 -8.094 -6.416 3.612 399 HE3 LYS 49 HE3 LYS 49 -7.003 -7.535 2.796 400 HZ1 LYS 49 HZ1 LYS 49 -8.993 -6.842 1.488 401 HZ2 LYS 49 HZ2 LYS 49 -9.958 -7.706 2.588 402 HZ3 LYS 49 HZ3 LYS 49 -8.802 -8.521 1.646 403 H THR 50 H THR 50 -5.164 -11.214 8.100 404 HA THR 50 HA THR 50 -7.019 -11.914 10.248 405 HB THR 50 HB THR 50 -6.221 -14.223 9.958 406 HG1 THR 50 HG1 THR 50 -4.853 -13.313 7.636 407 HG21 THR 50 HG21 THR 50 -7.237 -14.598 7.749 408 HG22 THR 50 HG22 THR 50 -7.143 -12.866 7.428 409 HG23 THR 50 HG23 THR 50 -8.173 -13.467 8.726 410 H MET 51 H MET 51 -4.065 -10.492 10.125 411 HA MET 51 HA MET 51 -2.760 -11.956 12.219 412 HB2 MET 51 HB2 MET 51 -2.271 -9.178 11.143 413 HB3 MET 51 HB3 MET 51 -1.317 -9.898 12.431 414 HG2 MET 51 HG2 MET 51 -0.857 -11.793 10.796 415 HG3 MET 51 HG3 MET 51 -1.499 -10.712 9.558 416 HE1 MET 51 HE1 MET 51 -0.442 -8.190 9.170 417 HE2 MET 51 HE2 MET 51 0.964 -7.620 10.069 418 HE3 MET 51 HE3 MET 51 -0.555 -7.931 10.909 419 H SER 52 H SER 52 -2.151 -10.773 14.287 420 HA SER 52 HA SER 52 -4.643 -10.045 15.565 421 HB2 SER 52 HB2 SER 52 -3.234 -10.075 17.639 422 HB3 SER 52 HB3 SER 52 -3.213 -11.588 16.733 423 HG SER 52 HG SER 52 -1.206 -10.934 15.832 424 H ALA 53 H ALA 53 -4.721 -8.167 17.066 425 HA ALA 53 HA ALA 53 -4.203 -5.791 15.645 426 HB1 ALA 53 HB1 ALA 53 -6.066 -6.022 17.203 427 HB2 ALA 53 HB2 ALA 53 -5.053 -4.638 17.613 428 HB3 ALA 53 HB3 ALA 53 -4.932 -6.129 18.548 429 H LYS 54 H LYS 54 -2.415 -7.457 18.162 430 HA LYS 54 HA LYS 54 -0.637 -5.331 18.768 431 HB2 LYS 54 HB2 LYS 54 -0.376 -8.322 19.086 432 HB3 LYS 54 HB3 LYS 54 0.856 -7.192 19.633 433 HG2 LYS 54 HG2 LYS 54 -0.674 -6.169 21.169 434 HG3 LYS 54 HG3 LYS 54 -2.015 -7.116 20.529 435 HD2 LYS 54 HD2 LYS 54 -1.336 -8.090 22.608 436 HD3 LYS 54 HD3 LYS 54 -0.842 -9.174 21.309 437 HE2 LYS 54 HE2 LYS 54 1.111 -7.147 22.276 438 HE3 LYS 54 HE3 LYS 54 0.778 -8.541 23.302 439 HZ1 LYS 54 HZ1 LYS 54 1.852 -8.551 20.537 440 HZ2 LYS 54 HZ2 LYS 54 1.283 -9.945 21.313 441 HZ3 LYS 54 HZ3 LYS 54 2.606 -9.104 21.952 442 H GLU 55 H GLU 55 -0.646 -7.802 16.279 443 HA GLU 55 HA GLU 55 1.985 -7.178 15.318 444 HB2 GLU 55 HB2 GLU 55 -0.307 -8.660 14.011 445 HB3 GLU 55 HB3 GLU 55 1.325 -8.562 13.362 446 HG2 GLU 55 HG2 GLU 55 2.205 -9.766 15.233 447 HG3 GLU 55 HG3 GLU 55 0.637 -9.739 16.040 448 H LYS 56 H LYS 56 -1.326 -6.428 14.287 449 HA LYS 56 HA LYS 56 -0.677 -4.820 12.079 450 HB2 LYS 56 HB2 LYS 56 -3.073 -4.732 13.922 451 HB3 LYS 56 HB3 LYS 56 -2.963 -3.857 12.401 452 HG2 LYS 56 HG2 LYS 56 -2.858 -5.902 11.157 453 HG3 LYS 56 HG3 LYS 56 -2.742 -6.849 12.641 454 HD2 LYS 56 HD2 LYS 56 -4.989 -6.197 13.272 455 HD3 LYS 56 HD3 LYS 56 -5.109 -5.143 11.859 456 HE2 LYS 56 HE2 LYS 56 -4.991 -7.014 10.375 457 HE3 LYS 56 HE3 LYS 56 -4.637 -8.115 11.706 458 HZ1 LYS 56 HZ1 LYS 56 -6.843 -7.714 12.592 459 HZ2 LYS 56 HZ2 LYS 56 -6.944 -8.260 10.990 460 HZ3 LYS 56 HZ3 LYS 56 -7.185 -6.621 11.338 461 H GLY 57 H GLY 57 -1.042 -4.045 15.500 462 HA2 GLY 57 HA2 GLY 57 -0.874 -1.248 15.332 463 HA3 GLY 57 HA3 GLY 57 -0.436 -2.214 16.734 464 H LYS 58 H LYS 58 1.656 -3.710 15.513 465 HA LYS 58 HA LYS 58 3.857 -2.020 15.861 466 HB2 LYS 58 HB2 LYS 58 4.172 -4.379 16.082 467 HB3 LYS 58 HB3 LYS 58 3.600 -4.673 14.444 468 HG2 LYS 58 HG2 LYS 58 5.577 -3.445 13.585 469 HG3 LYS 58 HG3 LYS 58 6.164 -3.308 15.243 470 HD2 LYS 58 HD2 LYS 58 6.379 -5.676 15.438 471 HD3 LYS 58 HD3 LYS 58 5.552 -5.933 13.900 472 HE2 LYS 58 HE2 LYS 58 7.383 -4.882 12.706 473 HE3 LYS 58 HE3 LYS 58 8.193 -4.509 14.226 474 HZ1 LYS 58 HZ1 LYS 58 9.127 -6.469 13.154 475 HZ2 LYS 58 HZ2 LYS 58 7.618 -7.246 13.221 476 HZ3 LYS 58 HZ3 LYS 58 8.437 -6.856 14.652 477 H PHE 59 H PHE 59 2.394 -3.225 12.844 478 HA PHE 59 HA PHE 59 4.199 -1.862 11.148 479 HB2 PHE 59 HB2 PHE 59 1.435 -2.957 10.608 480 HB3 PHE 59 HB3 PHE 59 2.501 -2.319 9.362 481 HD1 PHE 59 HD2 PHE 59 4.711 -3.442 8.965 482 HD2 PHE 59 HD1 PHE 59 1.673 -5.162 11.394 483 HE1 PHE 59 HE2 PHE 59 5.792 -5.642 8.752 484 HE2 PHE 59 HE1 PHE 59 2.750 -7.363 11.190 485 HZ PHE 59 HZ PHE 59 4.811 -7.605 9.869 486 H GLU 60 H GLU 60 1.174 -0.934 12.652 487 HA GLU 60 HA GLU 60 0.783 1.440 11.141 488 HB2 GLU 60 HB2 GLU 60 -1.020 0.379 12.455 489 HB3 GLU 60 HB3 GLU 60 -0.169 0.790 13.940 490 HG2 GLU 60 HG2 GLU 60 -0.379 3.175 13.368 491 HG3 GLU 60 HG3 GLU 60 -1.296 2.729 11.930 492 H ASP 61 H ASP 61 2.468 0.702 14.149 493 HA ASP 61 HA ASP 61 3.034 3.414 14.791 494 HB2 ASP 61 HB2 ASP 61 2.999 1.562 16.454 495 HB3 ASP 61 HB3 ASP 61 4.486 0.941 15.743 496 H MET 62 H MET 62 4.623 1.000 12.827 497 HA MET 62 HA MET 62 7.029 2.546 12.521 498 HB2 MET 62 HB2 MET 62 5.946 0.261 10.855 499 HB3 MET 62 HB3 MET 62 7.542 0.982 10.660 500 HG2 MET 62 HG2 MET 62 8.023 0.338 13.031 501 HG3 MET 62 HG3 MET 62 6.501 -0.553 13.029 502 HE1 MET 62 HE1 MET 62 6.017 -2.562 11.247 503 HE2 MET 62 HE2 MET 62 7.243 -3.175 10.134 504 HE3 MET 62 HE3 MET 62 6.582 -1.554 9.915 505 H ALA 63 H ALA 63 3.958 2.256 10.869 506 HA ALA 63 HA ALA 63 4.622 3.726 8.548 507 HB1 ALA 63 HB1 ALA 63 2.204 3.945 8.234 508 HB2 ALA 63 HB2 ALA 63 1.940 3.352 9.874 509 HB3 ALA 63 HB3 ALA 63 2.658 2.294 8.660 510 H LYS 64 H LYS 64 3.055 4.699 11.597 511 HA LYS 64 HA LYS 64 2.792 7.434 10.991 512 HB2 LYS 64 HB2 LYS 64 2.711 7.736 13.492 513 HB3 LYS 64 HB3 LYS 64 1.586 6.534 12.866 514 HG2 LYS 64 HG2 LYS 64 3.012 4.755 13.554 515 HG3 LYS 64 HG3 LYS 64 4.269 5.888 14.038 516 HD2 LYS 64 HD2 LYS 64 1.535 5.957 15.271 517 HD3 LYS 64 HD3 LYS 64 2.790 4.874 15.873 518 HE2 LYS 64 HE2 LYS 64 4.265 6.939 16.045 519 HE3 LYS 64 HE3 LYS 64 2.794 7.879 15.793 520 HZ1 LYS 64 HZ1 LYS 64 3.220 7.639 18.132 521 HZ2 LYS 64 HZ2 LYS 64 3.303 5.955 17.997 522 HZ3 LYS 64 HZ3 LYS 64 1.831 6.757 17.737 523 H ALA 65 H ALA 65 5.462 5.557 12.270 524 HA ALA 65 HA ALA 65 7.120 7.723 13.009 525 HB1 ALA 65 HB1 ALA 65 8.933 6.094 13.032 526 HB2 ALA 65 HB2 ALA 65 7.910 4.929 12.191 527 HB3 ALA 65 HB3 ALA 65 7.493 5.448 13.825 528 H ASP 66 H ASP 66 6.886 5.788 10.029 529 HA ASP 66 HA ASP 66 8.935 7.186 8.654 530 HB2 ASP 66 HB2 ASP 66 7.764 4.917 8.059 531 HB3 ASP 66 HB3 ASP 66 6.614 5.946 7.208 532 H LYS 67 H LYS 67 5.408 7.542 8.773 533 HA LYS 67 HA LYS 67 5.142 9.685 7.034 534 HB2 LYS 67 HB2 LYS 67 3.191 8.566 7.904 535 HB3 LYS 67 HB3 LYS 67 3.593 9.046 9.549 536 HG2 LYS 67 HG2 LYS 67 3.116 11.329 9.085 537 HG3 LYS 67 HG3 LYS 67 2.973 11.011 7.358 538 HD2 LYS 67 HD2 LYS 67 0.785 11.292 8.424 539 HD3 LYS 67 HD3 LYS 67 0.983 9.678 7.745 540 HE2 LYS 67 HE2 LYS 67 1.387 8.746 9.913 541 HE3 LYS 67 HE3 LYS 67 1.440 10.349 10.646 542 HZ1 LYS 67 HZ1 LYS 67 -0.858 10.639 10.311 543 HZ2 LYS 67 HZ2 LYS 67 -0.697 9.063 10.919 544 HZ3 LYS 67 HZ3 LYS 67 -0.970 9.310 9.263 545 H ALA 68 H ALA 68 6.009 9.676 10.468 546 HA ALA 68 HA ALA 68 5.955 12.468 10.837 547 HB1 ALA 68 HB1 ALA 68 7.636 10.417 12.281 548 HB2 ALA 68 HB2 ALA 68 5.992 10.891 12.704 549 HB3 ALA 68 HB3 ALA 68 7.305 12.060 12.832 550 H ARG 69 H ARG 69 8.709 10.302 10.068 551 HA ARG 69 HA ARG 69 10.581 12.422 9.866 552 HB2 ARG 69 HB2 ARG 69 12.072 10.808 8.782 553 HB3 ARG 69 HB3 ARG 69 11.332 10.126 10.221 554 HG2 ARG 69 HG2 ARG 69 9.743 8.901 8.809 555 HG3 ARG 69 HG3 ARG 69 10.520 9.571 7.374 556 HD2 ARG 69 HD2 ARG 69 12.612 8.488 7.976 557 HD3 ARG 69 HD3 ARG 69 11.880 7.861 9.451 558 HE ARG 69 HE ARG 69 10.468 7.072 7.070 559 HH11 ARG 69 HH11 ARG 69 13.193 6.310 9.140 560 HH12 ARG 69 HH12 ARG 69 13.201 4.625 8.728 561 HH21 ARG 69 HH21 ARG 69 10.483 4.834 6.522 562 HH22 ARG 69 HH22 ARG 69 11.674 3.787 7.255 563 H TYR 70 H TYR 70 8.360 10.959 7.611 564 HA TYR 70 HA TYR 70 9.262 12.210 5.260 565 HB2 TYR 70 HB2 TYR 70 7.714 10.349 5.186 566 HB3 TYR 70 HB3 TYR 70 6.524 11.251 6.115 567 HD1 TYR 70 HD1 TYR 70 8.342 11.241 2.898 568 HD2 TYR 70 HD2 TYR 70 4.916 12.549 5.032 569 HE1 TYR 70 HE1 TYR 70 7.360 12.045 0.801 570 HE2 TYR 70 HE2 TYR 70 3.920 13.360 2.946 571 HH TYR 70 HH TYR 70 4.734 14.115 0.679 572 H GLU 71 H GLU 71 6.721 13.110 7.585 573 HA GLU 71 HA GLU 71 5.913 15.509 6.461 574 HB2 GLU 71 HB2 GLU 71 6.058 14.617 9.343 575 HB3 GLU 71 HB3 GLU 71 5.220 16.058 8.817 576 HG2 GLU 71 HG2 GLU 71 4.571 13.323 7.777 577 HG3 GLU 71 HG3 GLU 71 3.797 14.026 9.193 578 H ARG 72 H ARG 72 8.606 14.792 8.615 579 HA ARG 72 HA ARG 72 9.455 17.383 9.214 580 HB2 ARG 72 HB2 ARG 72 11.112 14.890 8.793 581 HB3 ARG 72 HB3 ARG 72 11.712 16.375 9.511 582 HG2 ARG 72 HG2 ARG 72 9.533 14.626 10.627 583 HG3 ARG 72 HG3 ARG 72 11.202 14.708 11.197 584 HD2 ARG 72 HD2 ARG 72 10.768 17.189 11.577 585 HD3 ARG 72 HD3 ARG 72 9.060 16.805 11.363 586 HE ARG 72 HE ARG 72 10.738 15.520 13.428 587 HH11 ARG 72 HH11 ARG 72 7.751 17.067 12.426 588 HH12 ARG 72 HH12 ARG 72 7.004 16.918 13.987 589 HH21 ARG 72 HH21 ARG 72 9.768 15.340 15.475 590 HH22 ARG 72 HH22 ARG 72 8.149 15.935 15.721 591 H GLU 73 H GLU 73 10.514 15.248 6.559 592 HA GLU 73 HA GLU 73 12.129 17.377 5.460 593 HB2 GLU 73 HB2 GLU 73 12.840 15.728 3.803 594 HB3 GLU 73 HB3 GLU 73 12.994 15.102 5.437 595 HG2 GLU 73 HG2 GLU 73 10.897 13.858 5.137 596 HG3 GLU 73 HG3 GLU 73 10.805 14.451 3.479 597 H MET 74 H MET 74 8.937 16.231 5.047 598 HA MET 74 HA MET 74 8.516 17.056 2.372 599 HB2 MET 74 HB2 MET 74 6.933 15.603 3.563 600 HB3 MET 74 HB3 MET 74 6.552 16.912 4.671 601 HG2 MET 74 HG2 MET 74 4.794 17.113 3.262 602 HG3 MET 74 HG3 MET 74 5.935 18.156 2.424 603 HE1 MET 74 HE1 MET 74 7.921 15.912 1.069 604 HE2 MET 74 HE2 MET 74 7.343 17.379 0.278 605 HE3 MET 74 HE3 MET 74 7.147 15.813 -0.511 606 H LYS 75 H LYS 75 8.641 18.728 5.413 607 HA LYS 75 HA LYS 75 7.440 21.151 4.584 608 HB2 LYS 75 HB2 LYS 75 9.409 20.522 6.784 609 HB3 LYS 75 HB3 LYS 75 8.704 22.115 6.553 610 HG2 LYS 75 HG2 LYS 75 7.113 19.605 7.039 611 HG3 LYS 75 HG3 LYS 75 7.580 20.758 8.290 612 HD2 LYS 75 HD2 LYS 75 6.110 21.696 5.862 613 HD3 LYS 75 HD3 LYS 75 5.228 20.925 7.177 614 HE2 LYS 75 HE2 LYS 75 5.197 23.343 7.420 615 HE3 LYS 75 HE3 LYS 75 6.095 22.601 8.739 616 HZ1 LYS 75 HZ1 LYS 75 7.145 24.615 7.791 617 HZ2 LYS 75 HZ2 LYS 75 7.368 23.789 6.328 618 HZ3 LYS 75 HZ3 LYS 75 8.144 23.247 7.739 619 H THR 76 H THR 76 10.660 19.848 4.242 620 HA THR 76 HA THR 76 11.665 22.424 3.280 621 HB THR 76 HB THR 76 13.863 21.108 3.194 622 HG1 THR 76 HG1 THR 76 13.918 19.186 4.258 623 HG21 THR 76 HG21 THR 76 12.509 21.631 5.843 624 HG22 THR 76 HG22 THR 76 13.396 22.810 4.875 625 HG23 THR 76 HG23 THR 76 14.247 21.447 5.604 626 H TYR 77 H TYR 77 11.157 19.093 2.256 627 HA TYR 77 HA TYR 77 12.142 19.666 -0.414 628 HB2 TYR 77 HB2 TYR 77 12.680 17.482 0.490 629 HB3 TYR 77 HB3 TYR 77 10.976 17.149 0.792 630 HD1 TYR 77 HD2 TYR 77 13.343 17.921 -1.975 631 HD2 TYR 77 HD1 TYR 77 9.705 16.029 -0.828 632 HE1 TYR 77 HE2 TYR 77 13.122 16.980 -4.231 633 HE2 TYR 77 HE1 TYR 77 9.480 15.096 -3.078 634 HH TYR 77 HH TYR 77 12.005 15.040 -5.300 635 H ILE 78 H ILE 78 10.841 20.825 -1.641 636 HA ILE 78 HA ILE 78 7.997 20.079 -1.730 637 HB ILE 78 HB ILE 78 9.317 22.667 -2.591 638 HG12 ILE 78 HG12 ILE 78 7.625 23.576 -0.852 639 HG13 ILE 78 HG13 ILE 78 7.543 21.920 -0.269 640 HG21 ILE 78 HG21 ILE 78 7.047 23.452 -3.102 641 HG22 ILE 78 HG22 ILE 78 6.424 21.838 -2.759 642 HG23 ILE 78 HG23 ILE 78 7.521 22.086 -4.116 643 HD11 ILE 78 HD11 ILE 78 9.929 21.965 0.231 644 HD12 ILE 78 HD12 ILE 78 9.081 23.277 1.048 645 HD13 ILE 78 HD13 ILE 78 10.032 23.611 -0.398 646 HA PRO 79 HA PRO 79 9.328 17.861 -5.428 647 HB2 PRO 79 HB2 PRO 79 6.354 17.823 -5.661 648 HB3 PRO 79 HB3 PRO 79 7.513 16.505 -5.866 649 HG2 PRO 79 HG2 PRO 79 6.068 16.708 -3.639 650 HG3 PRO 79 HG3 PRO 79 7.766 16.196 -3.581 651 HD2 PRO 79 HD2 PRO 79 6.545 18.793 -2.812 652 HD3 PRO 79 HD3 PRO 79 7.961 17.966 -2.147 653 HA PRO 80 HA PRO 80 9.070 21.217 -8.351 654 HB2 PRO 80 HB2 PRO 80 9.904 19.158 -10.296 655 HB3 PRO 80 HB3 PRO 80 10.715 20.657 -9.832 656 HG2 PRO 80 HG2 PRO 80 11.658 18.269 -9.073 657 HG3 PRO 80 HG3 PRO 80 11.756 19.688 -8.012 658 HD2 PRO 80 HD2 PRO 80 9.824 17.394 -7.938 659 HD3 PRO 80 HD3 PRO 80 10.649 18.218 -6.596 660 H LYS 81 H LYS 81 7.654 21.909 -9.908 661 HA LYS 81 HA LYS 81 5.460 20.048 -10.515 662 HB2 LYS 81 HB2 LYS 81 5.409 23.067 -10.648 663 HB3 LYS 81 HB3 LYS 81 4.033 21.975 -10.735 664 HG2 LYS 81 HG2 LYS 81 5.802 22.315 -8.319 665 HG3 LYS 81 HG3 LYS 81 4.246 23.114 -8.557 666 HD2 LYS 81 HD2 LYS 81 3.102 21.010 -8.569 667 HD3 LYS 81 HD3 LYS 81 4.629 20.125 -8.560 668 HE2 LYS 81 HE2 LYS 81 3.545 20.191 -6.342 669 HE3 LYS 81 HE3 LYS 81 5.142 20.935 -6.347 670 HZ1 LYS 81 HZ1 LYS 81 4.159 23.097 -6.376 671 HZ2 LYS 81 HZ2 LYS 81 3.445 22.219 -5.112 672 HZ3 LYS 81 HZ3 LYS 81 2.601 22.455 -6.562 673 H GLY 82 H GLY 82 5.949 19.106 -12.432 674 HA2 GLY 82 HA2 GLY 82 5.993 20.821 -14.771 675 HA3 GLY 82 HA3 GLY 82 7.479 19.922 -14.495 676 H GLU 83 H GLU 83 4.170 18.896 -13.863 677 HA GLU 83 HA GLU 83 4.668 16.496 -15.435 678 HB2 GLU 83 HB2 GLU 83 2.332 17.238 -13.660 679 HB3 GLU 83 HB3 GLU 83 2.519 15.696 -14.480 680 HG2 GLU 83 HG2 GLU 83 3.186 15.312 -12.273 681 HG3 GLU 83 HG3 GLU 83 4.683 15.433 -13.194 682 H LEU 14 H LEU 14 -18.058 14.400 -7.368 683 HA LEU 14 HA LEU 14 -19.255 16.887 -7.760 684 HB2 LEU 14 HB2 LEU 14 -18.752 15.324 -10.271 685 HB3 LEU 14 HB3 LEU 14 -20.169 16.342 -10.136 686 HG LEU 14 HG LEU 14 -18.440 17.534 -11.318 687 HD11 LEU 14 HD11 LEU 14 -19.866 18.850 -9.872 688 HD12 LEU 14 HD12 LEU 14 -18.239 19.527 -9.918 689 HD13 LEU 14 HD13 LEU 14 -18.765 18.593 -8.518 690 HD21 LEU 14 HD21 LEU 14 -16.489 16.342 -10.476 691 HD22 LEU 14 HD22 LEU 14 -16.702 17.090 -8.893 692 HD23 LEU 14 HD23 LEU 14 -16.293 18.085 -10.291 693 H SER 15 H SER 15 -21.408 16.767 -7.399 694 HA SER 15 HA SER 15 -22.536 14.413 -6.381 695 HB2 SER 15 HB2 SER 15 -24.154 16.721 -7.444 696 HB3 SER 15 HB3 SER 15 -24.488 15.696 -6.049 697 HG SER 15 HG SER 15 -23.508 17.967 -5.814 698 H GLN 16 H GLN 16 -22.095 15.415 -9.571 699 HA GLN 16 HA GLN 16 -24.461 14.522 -10.814 700 HB2 GLN 16 HB2 GLN 16 -21.696 14.844 -11.987 701 HB3 GLN 16 HB3 GLN 16 -23.190 14.695 -12.903 702 HG2 GLN 16 HG2 GLN 16 -23.997 16.781 -11.847 703 HG3 GLN 16 HG3 GLN 16 -22.431 16.943 -11.053 704 HE21 GLN 16 HE21 GLN 16 -21.950 18.877 -12.075 705 HE22 GLN 16 HE22 GLN 16 -21.559 18.954 -13.763 706 H GLU 17 H GLU 17 -21.893 12.747 -9.460 707 HA GLU 17 HA GLU 17 -21.728 10.565 -11.217 708 HB2 GLU 17 HB2 GLU 17 -20.876 9.291 -9.264 709 HB3 GLU 17 HB3 GLU 17 -20.079 10.843 -9.478 710 HG2 GLU 17 HG2 GLU 17 -21.268 11.799 -7.661 711 HG3 GLU 17 HG3 GLU 17 -22.347 10.410 -7.555 712 H THR 18 H THR 18 -24.131 11.411 -8.840 713 HA THR 18 HA THR 18 -25.450 8.824 -9.044 714 HB THR 18 HB THR 18 -26.584 11.287 -7.730 715 HG1 THR 18 HG1 THR 18 -25.395 10.856 -5.939 716 HG21 THR 18 HG21 THR 18 -28.092 9.377 -8.015 717 HG22 THR 18 HG22 THR 18 -27.724 9.646 -6.311 718 HG23 THR 18 HG23 THR 18 -26.933 8.335 -7.189 719 H PHE 19 H PHE 19 -25.862 12.152 -10.115 720 HA PHE 19 HA PHE 19 -28.473 11.849 -11.157 721 HB2 PHE 19 HB2 PHE 19 -26.328 13.905 -11.687 722 HB3 PHE 19 HB3 PHE 19 -27.953 14.006 -12.353 723 HD1 PHE 19 HD2 PHE 19 -29.888 14.304 -10.845 724 HD2 PHE 19 HD1 PHE 19 -25.881 14.493 -9.426 725 HE1 PHE 19 HE2 PHE 19 -30.669 15.437 -8.806 726 HE2 PHE 19 HE1 PHE 19 -26.652 15.625 -7.382 727 HZ PHE 19 HZ PHE 19 -29.048 16.100 -7.074 728 H SER 20 H SER 20 -25.305 11.234 -12.471 729 HA SER 20 HA SER 20 -25.979 11.227 -15.199 730 HB2 SER 20 HB2 SER 20 -23.932 9.762 -15.418 731 HB3 SER 20 HB3 SER 20 -23.663 11.275 -14.556 732 HG SER 20 HG SER 20 -23.222 8.801 -13.703 733 H ASP 21 H ASP 21 -26.289 8.781 -12.691 734 HA ASP 21 HA ASP 21 -26.907 6.718 -14.618 735 HB2 ASP 21 HB2 ASP 21 -26.106 6.768 -11.864 736 HB3 ASP 21 HB3 ASP 21 -27.571 5.802 -12.029 737 H LEU 22 H LEU 22 -28.612 9.203 -13.299 738 HA LEU 22 HA LEU 22 -31.106 7.917 -12.818 739 HB2 LEU 22 HB2 LEU 22 -30.461 10.796 -13.440 740 HB3 LEU 22 HB3 LEU 22 -32.049 10.219 -12.974 741 HG LEU 22 HG LEU 22 -29.556 10.128 -11.264 742 HD11 LEU 22 HD11 LEU 22 -30.746 11.745 -9.876 743 HD12 LEU 22 HD12 LEU 22 -32.076 11.763 -11.033 744 HD13 LEU 22 HD13 LEU 22 -30.486 12.364 -11.508 745 HD21 LEU 22 HD21 LEU 22 -31.048 9.332 -9.492 746 HD22 LEU 22 HD22 LEU 22 -30.974 8.197 -10.839 747 HD23 LEU 22 HD23 LEU 22 -32.376 9.249 -10.649 748 H TRP 23 H TRP 23 -29.495 9.074 -15.680 749 HA TRP 23 HA TRP 23 -31.963 8.614 -17.210 750 HB2 TRP 23 HB2 TRP 23 -30.979 9.953 -19.000 751 HB3 TRP 23 HB3 TRP 23 -31.019 10.858 -17.492 752 HD1 TRP 23 HD1 TRP 23 -28.678 11.472 -16.368 753 HE1 TRP 23 HE1 TRP 23 -26.275 11.529 -17.293 754 HE3 TRP 23 HE3 TRP 23 -29.391 8.749 -20.636 755 HZ2 TRP 23 HZ2 TRP 23 -24.876 10.539 -19.528 756 HZ3 TRP 23 HZ3 TRP 23 -27.465 8.354 -22.114 757 HH2 TRP 23 HH2 TRP 23 -25.256 9.232 -21.571 758 H LYS 24 H LYS 24 -29.114 7.094 -16.420 759 HA LYS 24 HA LYS 24 -28.458 5.989 -18.983 760 HB2 LYS 24 HB2 LYS 24 -27.540 5.393 -16.179 761 HB3 LYS 24 HB3 LYS 24 -26.991 4.450 -17.559 762 HG2 LYS 24 HG2 LYS 24 -25.954 6.357 -18.547 763 HG3 LYS 24 HG3 LYS 24 -26.690 7.437 -17.363 764 HD2 LYS 24 HD2 LYS 24 -24.352 7.051 -16.825 765 HD3 LYS 24 HD3 LYS 24 -25.389 6.356 -15.584 766 HE2 LYS 24 HE2 LYS 24 -25.151 4.154 -16.775 767 HE3 LYS 24 HE3 LYS 24 -23.909 4.918 -17.769 768 HZ1 LYS 24 HZ1 LYS 24 -22.900 3.765 -15.926 769 HZ2 LYS 24 HZ2 LYS 24 -23.856 4.618 -14.813 770 HZ3 LYS 24 HZ3 LYS 24 -22.683 5.434 -15.729 771 H LEU 25 H LEU 25 -31.191 5.567 -17.714 772 HA LEU 25 HA LEU 25 -31.389 2.696 -17.493 773 HB2 LEU 25 HB2 LEU 25 -33.538 4.809 -17.696 774 HB3 LEU 25 HB3 LEU 25 -33.810 3.120 -17.315 775 HG LEU 25 HG LEU 25 -32.268 5.080 -15.613 776 HD11 LEU 25 HD11 LEU 25 -34.674 5.497 -15.627 777 HD12 LEU 25 HD12 LEU 25 -34.139 4.868 -14.069 778 HD13 LEU 25 HD13 LEU 25 -34.971 3.810 -15.208 779 HD21 LEU 25 HD21 LEU 25 -31.395 2.805 -15.437 780 HD22 LEU 25 HD22 LEU 25 -33.018 2.203 -15.104 781 HD23 LEU 25 HD23 LEU 25 -32.225 3.285 -13.959 782 H LEU 26 H LEU 26 -31.430 5.061 -19.947 783 HA LEU 26 HA LEU 26 -32.949 3.508 -21.844 784 HB2 LEU 26 HB2 LEU 26 -32.094 5.264 -23.467 785 HB3 LEU 26 HB3 LEU 26 -33.151 5.815 -22.186 786 HG LEU 26 HG LEU 26 -30.981 6.465 -20.948 787 HD11 LEU 26 HD11 LEU 26 -29.925 6.279 -23.766 788 HD12 LEU 26 HD12 LEU 26 -29.419 5.281 -22.401 789 HD13 LEU 26 HD13 LEU 26 -29.096 7.017 -22.394 790 HD21 LEU 26 HD21 LEU 26 -30.930 8.623 -22.083 791 HD22 LEU 26 HD22 LEU 26 -32.586 8.061 -21.845 792 HD23 LEU 26 HD23 LEU 26 -31.831 7.938 -23.434 793 HA PRO 27 HA PRO 27 -29.519 1.278 -23.550 794 HB2 PRO 27 HB2 PRO 27 -30.738 1.273 -26.183 795 HB3 PRO 27 HB3 PRO 27 -30.584 -0.060 -25.036 796 HG2 PRO 27 HG2 PRO 27 -32.968 1.107 -25.683 797 HG3 PRO 27 HG3 PRO 27 -32.652 0.313 -24.132 798 HD2 PRO 27 HD2 PRO 27 -32.667 3.227 -24.803 799 HD3 PRO 27 HD3 PRO 27 -33.261 2.399 -23.346 800 H GLU 28 H GLU 28 -27.974 2.902 -23.457 801 HA GLU 28 HA GLU 28 -27.665 4.673 -25.745 802 HB2 GLU 28 HB2 GLU 28 -25.679 5.511 -24.475 803 HB3 GLU 28 HB3 GLU 28 -27.195 5.652 -23.600 804 HG2 GLU 28 HG2 GLU 28 -26.342 4.529 -21.904 805 HG3 GLU 28 HG3 GLU 28 -26.018 3.149 -22.952 806 H ASN 29 H ASN 29 -24.658 4.475 -25.339 807 HA ASN 29 HA ASN 29 -23.958 2.820 -27.441 808 HB2 ASN 29 HB2 ASN 29 -22.441 4.505 -26.508 809 HB3 ASN 29 HB3 ASN 29 -22.291 3.570 -25.022 810 HD21 ASN 29 HD21 ASN 29 -20.166 3.128 -25.099 811 HD22 ASN 29 HD22 ASN 29 -19.407 2.177 -26.336 812 H ASN 30 H ASN 30 -23.911 2.116 -23.963 813 HA ASN 30 HA ASN 30 -24.820 -0.514 -24.202 814 HB2 ASN 30 HB2 ASN 30 -22.651 -1.004 -25.251 815 HB3 ASN 30 HB3 ASN 30 -21.817 -0.361 -23.838 816 HD21 ASN 30 HD21 ASN 30 -21.756 -1.561 -21.954 817 HD22 ASN 30 HD22 ASN 30 -22.223 -3.225 -21.886 818 H VAL 31 H VAL 31 -23.070 1.888 -22.382 819 HA VAL 31 HA VAL 31 -22.959 2.397 -20.181 820 HB VAL 31 HB VAL 31 -24.965 0.171 -19.750 821 HG11 VAL 31 HG11 VAL 31 -23.672 0.555 -17.733 822 HG12 VAL 31 HG12 VAL 31 -25.304 1.194 -17.532 823 HG13 VAL 31 HG13 VAL 31 -23.960 2.291 -17.850 824 HG21 VAL 31 HG21 VAL 31 -25.848 2.027 -21.077 825 HG22 VAL 31 HG22 VAL 31 -25.337 3.165 -19.830 826 HG23 VAL 31 HG23 VAL 31 -26.591 1.975 -19.478 827 H LEU 32 H LEU 32 -20.865 1.904 -19.955 828 HA LEU 32 HA LEU 32 -20.153 -0.854 -19.223 829 HB2 LEU 32 HB2 LEU 32 -18.432 1.438 -20.168 830 HB3 LEU 32 HB3 LEU 32 -17.822 -0.137 -19.708 831 HG LEU 32 HG LEU 32 -19.733 0.339 -21.998 832 HD11 LEU 32 HD11 LEU 32 -17.820 -0.023 -23.455 833 HD12 LEU 32 HD12 LEU 32 -16.759 -0.159 -22.054 834 HD13 LEU 32 HD13 LEU 32 -17.549 1.375 -22.416 835 HD21 LEU 32 HD21 LEU 32 -19.154 -1.946 -22.625 836 HD22 LEU 32 HD22 LEU 32 -19.882 -1.893 -21.019 837 HD23 LEU 32 HD23 LEU 32 -18.137 -2.090 -21.192 838 H SER 33 H SER 33 -19.899 -1.235 -17.132 839 HA SER 33 HA SER 33 -19.281 0.977 -15.319 840 HB2 SER 33 HB2 SER 33 -19.933 -1.896 -14.620 841 HB3 SER 33 HB3 SER 33 -19.960 -0.502 -13.541 842 HG SER 33 HG SER 33 -21.751 0.291 -14.604 843 HA PRO 34 HA PRO 34 -14.930 -0.022 -15.514 844 HB2 PRO 34 HB2 PRO 34 -14.999 1.192 -12.790 845 HB3 PRO 34 HB3 PRO 34 -13.939 1.556 -14.157 846 HG2 PRO 34 HG2 PRO 34 -15.933 3.195 -13.518 847 HG3 PRO 34 HG3 PRO 34 -15.533 2.869 -15.215 848 HD2 PRO 34 HD2 PRO 34 -17.798 1.836 -13.567 849 HD3 PRO 34 HD3 PRO 34 -17.756 2.261 -15.291 850 H LEU 35 H LEU 35 -14.238 -2.028 -15.185 851 HA LEU 35 HA LEU 35 -14.235 -3.206 -12.553 852 HB2 LEU 35 HB2 LEU 35 -16.500 -3.733 -13.371 853 HB3 LEU 35 HB3 LEU 35 -15.806 -4.487 -14.791 854 HG LEU 35 HG LEU 35 -14.718 -6.170 -13.326 855 HD11 LEU 35 HD11 LEU 35 -15.427 -6.375 -11.010 856 HD12 LEU 35 HD12 LEU 35 -16.380 -4.898 -11.155 857 HD13 LEU 35 HD13 LEU 35 -14.621 -4.831 -11.282 858 HD21 LEU 35 HD21 LEU 35 -16.820 -6.695 -14.407 859 HD22 LEU 35 HD22 LEU 35 -17.717 -5.938 -13.090 860 HD23 LEU 35 HD23 LEU 35 -16.781 -7.403 -12.791 861 HA PRO 36 HA PRO 36 -10.624 -4.654 -14.839 862 HB2 PRO 36 HB2 PRO 36 -9.066 -5.063 -12.680 863 HB3 PRO 36 HB3 PRO 36 -9.348 -3.452 -13.346 864 HG2 PRO 36 HG2 PRO 36 -10.572 -4.760 -10.958 865 HG3 PRO 36 HG3 PRO 36 -10.073 -3.074 -11.184 866 HD2 PRO 36 HD2 PRO 36 -12.670 -3.982 -11.375 867 HD3 PRO 36 HD3 PRO 36 -12.067 -2.497 -12.133 868 H SER 37 H SER 37 -10.770 -6.642 -15.623 869 HA SER 37 HA SER 37 -11.669 -8.856 -13.987 870 HB2 SER 37 HB2 SER 37 -10.757 -8.813 -16.876 871 HB3 SER 37 HB3 SER 37 -11.601 -10.136 -16.072 872 HG SER 37 HG SER 37 -13.372 -8.730 -15.765 873 H GLN 38 H GLN 38 -8.731 -7.429 -14.846 874 HA GLN 38 HA GLN 38 -7.173 -9.862 -14.375 875 HB2 GLN 38 HB2 GLN 38 -5.243 -8.518 -15.094 876 HB3 GLN 38 HB3 GLN 38 -6.524 -8.502 -16.300 877 HG2 GLN 38 HG2 GLN 38 -7.166 -6.298 -15.723 878 HG3 GLN 38 HG3 GLN 38 -6.165 -6.314 -14.272 879 HE21 GLN 38 HE21 GLN 38 -3.955 -6.069 -14.459 880 HE22 GLN 38 HE22 GLN 38 -3.209 -5.448 -15.891 881 H ALA 39 H ALA 39 -8.667 -7.929 -12.417 882 HA ALA 39 HA ALA 39 -8.454 -7.184 -10.286 883 HB1 ALA 39 HB1 ALA 39 -7.309 -9.307 -9.834 884 HB2 ALA 39 HB2 ALA 39 -6.651 -7.983 -8.873 885 HB3 ALA 39 HB3 ALA 39 -5.772 -8.568 -10.286 886 H MET 40 H MET 40 -7.018 -5.737 -8.868 887 HA MET 40 HA MET 40 -5.341 -4.011 -10.559 888 HB2 MET 40 HB2 MET 40 -7.570 -2.993 -10.364 889 HB3 MET 40 HB3 MET 40 -7.456 -3.062 -8.614 890 HG2 MET 40 HG2 MET 40 -5.845 -1.380 -8.534 891 HG3 MET 40 HG3 MET 40 -5.457 -1.529 -10.245 892 HE1 MET 40 HE1 MET 40 -9.445 0.234 -8.704 893 HE2 MET 40 HE2 MET 40 -8.185 -0.384 -7.635 894 HE3 MET 40 HE3 MET 40 -9.072 -1.489 -8.685 895 H ASP 41 H ASP 41 -5.430 -5.976 -8.060 896 HA ASP 41 HA ASP 41 -4.907 -5.933 -5.774 897 HB2 ASP 41 HB2 ASP 41 -2.405 -6.016 -7.426 898 HB3 ASP 41 HB3 ASP 41 -2.448 -6.444 -5.719 899 H ASP 42 H ASP 42 -4.998 -2.990 -6.595 900 HA ASP 42 HA ASP 42 -2.774 -1.676 -5.403 901 HB2 ASP 42 HB2 ASP 42 -4.067 0.350 -5.723 902 HB3 ASP 42 HB3 ASP 42 -4.254 -0.677 -7.142 903 H LEU 43 H LEU 43 -4.154 -3.640 -3.648 904 HA LEU 43 HA LEU 43 -5.772 -2.357 -1.734 905 HB2 LEU 43 HB2 LEU 43 -3.994 -4.776 -1.422 906 HB3 LEU 43 HB3 LEU 43 -5.225 -4.279 -0.278 907 HG LEU 43 HG LEU 43 -5.711 -5.183 -3.119 908 HD11 LEU 43 HD11 LEU 43 -6.779 -7.117 -2.029 909 HD12 LEU 43 HD12 LEU 43 -6.229 -6.518 -0.462 910 HD13 LEU 43 HD13 LEU 43 -5.055 -7.013 -1.680 911 HD21 LEU 43 HD21 LEU 43 -8.089 -5.120 -2.482 912 HD22 LEU 43 HD22 LEU 43 -7.347 -3.522 -2.450 913 HD23 LEU 43 HD23 LEU 43 -7.644 -4.387 -0.942 914 H MET 44 H MET 44 -2.281 -2.718 -2.030 915 HA MET 44 HA MET 44 -2.019 -0.853 0.231 916 HB2 MET 44 HB2 MET 44 0.147 -2.832 -0.281 917 HB3 MET 44 HB3 MET 44 -0.274 -2.002 1.205 918 HG2 MET 44 HG2 MET 44 -0.839 -4.189 1.633 919 HG3 MET 44 HG3 MET 44 -2.382 -3.463 1.184 920 HE1 MET 44 HE1 MET 44 -1.966 -7.314 -0.155 921 HE2 MET 44 HE2 MET 44 -2.361 -6.388 1.298 922 HE3 MET 44 HE3 MET 44 -0.671 -6.700 0.875 923 H LEU 45 H LEU 45 0.163 -2.381 -2.116 924 HA LEU 45 HA LEU 45 1.498 0.186 -2.435 925 HB2 LEU 45 HB2 LEU 45 2.378 -2.470 -3.586 926 HB3 LEU 45 HB3 LEU 45 3.351 -1.031 -3.357 927 HG LEU 45 HG LEU 45 2.390 -2.980 -1.267 928 HD11 LEU 45 HD11 LEU 45 4.520 -3.507 -2.337 929 HD12 LEU 45 HD12 LEU 45 4.749 -3.070 -0.645 930 HD13 LEU 45 HD13 LEU 45 5.133 -1.906 -1.913 931 HD21 LEU 45 HD21 LEU 45 3.320 -1.491 0.430 932 HD22 LEU 45 HD22 LEU 45 1.918 -0.795 -0.384 933 HD23 LEU 45 HD23 LEU 45 3.541 -0.246 -0.796 934 H SER 46 H SER 46 0.748 1.461 -3.969 935 HA SER 46 HA SER 46 -0.992 0.546 -6.014 936 HB2 SER 46 HB2 SER 46 -0.736 2.995 -6.779 937 HB3 SER 46 HB3 SER 46 -1.444 2.696 -5.192 938 HG SER 46 HG SER 46 0.415 4.317 -5.516 939 HA PRO 47 HA PRO 47 1.965 -0.749 -9.047 940 HB2 PRO 47 HB2 PRO 47 -0.218 -0.039 -10.937 941 HB3 PRO 47 HB3 PRO 47 0.670 -1.555 -10.764 942 HG2 PRO 47 HG2 PRO 47 -1.826 -1.353 -9.881 943 HG3 PRO 47 HG3 PRO 47 -0.608 -2.247 -8.949 944 HD2 PRO 47 HD2 PRO 47 -1.723 0.489 -8.484 945 HD3 PRO 47 HD3 PRO 47 -1.313 -0.775 -7.308 946 H ASP 48 H ASP 48 0.270 2.286 -9.218 947 HA ASP 48 HA ASP 48 1.597 3.474 -11.386 948 HB2 ASP 48 HB2 ASP 48 0.510 4.809 -8.897 949 HB3 ASP 48 HB3 ASP 48 0.861 5.607 -10.425 950 H ASP 49 H ASP 49 2.376 3.389 -7.942 951 HA ASP 49 HA ASP 49 4.756 5.039 -8.378 952 HB2 ASP 49 HB2 ASP 49 2.976 5.304 -6.476 953 HB3 ASP 49 HB3 ASP 49 3.859 3.991 -5.707 954 H ILE 50 H ILE 50 3.769 1.823 -7.831 955 HA ILE 50 HA ILE 50 5.785 0.533 -6.553 956 HB ILE 50 HB ILE 50 3.842 -0.196 -8.653 957 HG12 ILE 50 HG12 ILE 50 4.522 -1.210 -5.904 958 HG13 ILE 50 HG13 ILE 50 3.157 -0.202 -6.364 959 HG21 ILE 50 HG21 ILE 50 5.606 -2.413 -7.796 960 HG22 ILE 50 HG22 ILE 50 6.195 -1.340 -9.065 961 HG23 ILE 50 HG23 ILE 50 4.676 -2.210 -9.282 962 HD11 ILE 50 HD11 ILE 50 3.602 -3.060 -7.182 963 HD12 ILE 50 HD12 ILE 50 2.244 -2.050 -7.678 964 HD13 ILE 50 HD13 ILE 50 2.449 -2.481 -5.980 965 H GLU 51 H GLU 51 5.821 1.527 -9.954 966 HA GLU 51 HA GLU 51 7.920 -0.128 -10.790 967 HB2 GLU 51 HB2 GLU 51 6.970 2.505 -11.918 968 HB3 GLU 51 HB3 GLU 51 8.020 1.370 -12.750 969 HG2 GLU 51 HG2 GLU 51 5.231 0.737 -11.822 970 HG3 GLU 51 HG3 GLU 51 5.652 1.249 -13.454 971 H GLN 52 H GLN 52 8.144 2.422 -8.653 972 HA GLN 52 HA GLN 52 10.766 3.310 -9.595 973 HB2 GLN 52 HB2 GLN 52 9.090 5.008 -8.973 974 HB3 GLN 52 HB3 GLN 52 9.044 4.358 -7.341 975 HG2 GLN 52 HG2 GLN 52 10.388 6.353 -7.396 976 HG3 GLN 52 HG3 GLN 52 11.406 4.957 -7.047 977 HE21 GLN 52 HE21 GLN 52 10.549 7.360 -9.403 978 HE22 GLN 52 HE22 GLN 52 11.914 7.134 -10.443 979 H TRP 53 H TRP 53 9.270 1.671 -6.834 980 HA TRP 53 HA TRP 53 11.953 1.262 -5.698 981 HB2 TRP 53 HB2 TRP 53 10.808 1.519 -3.419 982 HB3 TRP 53 HB3 TRP 53 11.089 2.988 -4.357 983 HD1 TRP 53 HD1 TRP 53 8.985 4.191 -5.415 984 HE1 TRP 53 HE1 TRP 53 6.479 4.033 -4.950 985 HE3 TRP 53 HE3 TRP 53 8.953 -0.115 -2.673 986 HZ2 TRP 53 HZ2 TRP 53 4.698 2.296 -3.625 987 HZ3 TRP 53 HZ3 TRP 53 6.800 -0.962 -1.846 988 HH2 TRP 53 HH2 TRP 53 4.716 0.224 -2.315 989 H PHE 54 H PHE 54 8.992 -0.123 -6.576 990 HA PHE 54 HA PHE 54 9.094 -2.275 -4.615 991 HB2 PHE 54 HB2 PHE 54 6.942 -1.256 -5.055 992 HB3 PHE 54 HB3 PHE 54 7.115 -1.532 -6.774 993 HD1 PHE 54 HD1 PHE 54 7.477 -4.179 -7.331 994 HD2 PHE 54 HD2 PHE 54 5.425 -2.586 -3.934 995 HE1 PHE 54 HE1 PHE 54 6.185 -6.258 -7.136 996 HE2 PHE 54 HE2 PHE 54 4.150 -4.685 -3.747 997 HZ PHE 54 HZ PHE 54 4.523 -6.513 -5.337 998 H THR 55 H THR 55 9.634 -1.683 -8.016 999 HA THR 55 HA THR 55 9.881 -4.504 -8.646 1000 HB THR 55 HB THR 55 10.313 -3.598 -10.971 1001 HG1 THR 55 HG1 THR 55 10.697 -1.522 -11.080 1002 HG21 THR 55 HG21 THR 55 8.103 -4.356 -10.300 1003 HG22 THR 55 HG22 THR 55 7.967 -2.920 -11.317 1004 HG23 THR 55 HG23 THR 55 7.764 -2.788 -9.569 1005 H GLU 56 H GLU 56 11.803 -4.841 -10.379 1006 HA GLU 56 HA GLU 56 14.241 -4.591 -8.926 1007 HB2 GLU 56 HB2 GLU 56 13.619 -5.538 -11.719 1008 HB3 GLU 56 HB3 GLU 56 15.261 -5.460 -11.103 1009 HG2 GLU 56 HG2 GLU 56 14.561 -7.683 -10.848 1010 HG3 GLU 56 HG3 GLU 56 14.514 -6.971 -9.239 1011 H ASP 57 H ASP 57 16.205 -3.583 -9.763 1012 HA ASP 57 HA ASP 57 15.765 -1.307 -11.550 1013 HB2 ASP 57 HB2 ASP 57 15.517 -0.492 -9.213 1014 HB3 ASP 57 HB3 ASP 57 17.135 -1.081 -8.853 1015 HA PRO 58 HA PRO 58 19.477 -2.822 -13.404 1016 HB2 PRO 58 HB2 PRO 58 20.408 -0.438 -14.439 1017 HB3 PRO 58 HB3 PRO 58 19.170 -1.446 -15.194 1018 HG2 PRO 58 HG2 PRO 58 18.849 0.979 -13.470 1019 HG3 PRO 58 HG3 PRO 58 17.975 0.529 -14.948 1020 HD2 PRO 58 HD2 PRO 58 16.871 0.184 -12.533 1021 HD3 PRO 58 HD3 PRO 58 16.632 -1.010 -13.829 1022 H GLY 59 H GLY 59 19.558 -0.165 -11.123 1023 HA2 GLY 59 HA2 GLY 59 22.438 -0.168 -10.896 1024 HA3 GLY 59 HA3 GLY 59 21.308 0.735 -9.895 1025 HA PRO 60 HA PRO 60 22.387 -3.589 -8.020 1026 HB2 PRO 60 HB2 PRO 60 25.063 -3.743 -7.655 1027 HB3 PRO 60 HB3 PRO 60 24.265 -4.341 -9.114 1028 HG2 PRO 60 HG2 PRO 60 25.766 -1.799 -8.677 1029 HG3 PRO 60 HG3 PRO 60 25.752 -2.865 -10.092 1030 HD2 PRO 60 HD2 PRO 60 24.326 -0.528 -9.908 1031 HD3 PRO 60 HD3 PRO 60 23.876 -1.889 -10.954
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