NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
9389 | 1nvl | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H SER 1 1H SER 1 0.543 2.968 -9.812 2 2H SER 1 2H SER 1 -0.160 3.302 -8.322 3 H SER 1 H SER 1 0.450 4.598 -9.247 4 HA SER 1 HA SER 1 2.439 2.622 -8.822 5 1HB SER 1 1HB SER 1 3.736 4.538 -7.854 6 2HB SER 1 2HB SER 1 2.739 5.266 -9.115 7 HG SER 1 HG SER 1 2.608 5.806 -6.514 8 H GLN 2 H GLN 2 3.501 2.505 -6.503 9 HA GLN 2 HA GLN 2 1.381 2.343 -4.425 10 1HB GLN 2 1HB GLN 2 1.575 0.127 -5.558 11 2HB GLN 2 2HB GLN 2 3.301 0.119 -5.232 12 1HG GLN 2 1HG GLN 2 2.261 0.570 -2.647 13 2HG GLN 2 2HG GLN 2 1.030 -0.443 -3.379 14 1HE2 GLN 2 1HE2 GLN 2 4.472 -0.266 -2.695 15 2HE2 GLN 2 2HE2 GLN 2 4.674 -1.974 -2.676 16 H ALA 3 H ALA 3 2.560 4.264 -3.757 17 HA ALA 3 HA ALA 3 4.930 5.129 -3.086 18 1HB ALA 3 1HB ALA 3 2.937 6.070 -2.047 19 2HB ALA 3 2HB ALA 3 4.172 5.824 -0.834 20 3HB ALA 3 3HB ALA 3 2.815 4.716 -0.930 21 H GLU 4 H GLU 4 3.936 2.323 -1.447 22 HA GLU 4 HA GLU 4 6.070 2.115 0.443 23 1HB GLU 4 1HB GLU 4 4.772 -0.360 -0.890 24 2HB GLU 4 2HB GLU 4 5.377 -0.112 0.703 25 1HG GLU 4 1HG GLU 4 2.745 1.000 -0.211 26 2HG GLU 4 2HG GLU 4 3.096 0.000 1.179 27 H PHE 5 H PHE 5 5.929 1.573 -2.778 28 HA PHE 5 HA PHE 5 8.410 0.249 -3.308 29 1HB PHE 5 1HB PHE 5 6.645 0.287 -4.962 30 2HB PHE 5 2HB PHE 5 6.485 2.018 -4.686 31 HD1 PHE 5 HD1 PHE 5 7.818 3.549 -6.008 32 HD2 PHE 5 HD2 PHE 5 8.798 -0.574 -5.981 33 HE1 PHE 5 HE1 PHE 5 9.471 3.948 -7.742 34 HE2 PHE 5 HE2 PHE 5 10.481 -0.188 -7.765 35 HZ PHE 5 HZ PHE 5 10.810 2.086 -8.640 36 H ASP 6 H ASP 6 7.460 3.697 -3.199 37 HA ASP 6 HA ASP 6 10.029 4.728 -3.814 38 1HB ASP 6 1HB ASP 6 7.408 5.727 -2.642 39 2HB ASP 6 2HB ASP 6 8.765 6.769 -2.938 40 H LYS 7 H LYS 7 8.245 4.002 -0.999 41 HA LYS 7 HA LYS 7 10.036 5.099 0.928 42 1HB LYS 7 1HB LYS 7 7.671 4.153 1.439 43 2HB LYS 7 2HB LYS 7 8.312 2.542 1.222 44 1HG LYS 7 1HG LYS 7 8.432 2.973 3.580 45 2HG LYS 7 2HG LYS 7 10.073 3.111 3.026 46 1HD LYS 7 1HD LYS 7 9.281 5.748 2.674 47 2HD LYS 7 2HD LYS 7 8.077 5.249 3.826 48 1HE LYS 7 1HE LYS 7 9.998 6.230 4.962 49 2HE LYS 7 2HE LYS 7 9.865 4.508 5.362 50 1HZ LYS 7 1HZ LYS 7 11.875 4.188 4.467 51 2HZ LYS 7 2HZ LYS 7 11.962 5.853 3.931 52 3HZ LYS 7 3HZ LYS 7 11.279 4.697 2.963 53 H ALA 8 H ALA 8 9.712 1.952 -0.614 54 HA ALA 8 HA ALA 8 11.966 0.636 0.529 55 1HB ALA 8 1HB ALA 8 10.708 0.303 -2.304 56 2HB ALA 8 2HB ALA 8 10.119 -0.427 -0.829 57 3HB ALA 8 3HB ALA 8 11.674 -0.907 -1.476 58 H ALA 9 H ALA 9 11.642 2.605 -2.489 59 HA ALA 9 HA ALA 9 14.287 2.696 -3.322 60 1HB ALA 9 1HB ALA 9 12.327 5.063 -3.252 61 2HB ALA 9 2HB ALA 9 12.359 3.823 -4.483 62 3HB ALA 9 3HB ALA 9 13.676 4.962 -4.313 63 H GLU 10 H GLU 10 12.846 4.853 -0.821 64 HA GLU 10 HA GLU 10 15.322 6.223 -0.184 65 1HB GLU 10 1HB GLU 10 12.990 5.488 1.672 66 2HB GLU 10 2HB GLU 10 14.272 6.582 2.119 67 1HG GLU 10 1HG GLU 10 13.433 8.242 0.460 68 2HG GLU 10 2HG GLU 10 12.205 7.112 -0.074 69 H GLU 11 H GLU 11 13.702 3.546 1.493 70 HA GLU 11 HA GLU 11 15.519 2.886 3.335 71 1HB GLU 11 1HB GLU 11 13.754 1.034 1.708 72 2HB GLU 11 2HB GLU 11 14.461 0.652 3.260 73 1HG GLU 11 1HG GLU 11 13.256 3.255 3.540 74 2HG GLU 11 2HG GLU 11 12.136 2.225 2.755 75 H VAL 12 H VAL 12 15.509 1.429 0.040 76 HA VAL 12 HA VAL 12 17.868 -0.128 0.321 77 HB VAL 12 HB VAL 12 15.872 0.158 -1.517 78 1HG1 VAL 12 1HG1 VAL 12 18.257 1.452 -2.964 79 2HG1 VAL 12 2HG1 VAL 12 16.766 2.274 -2.541 80 3HG1 VAL 12 3HG1 VAL 12 16.736 0.967 -3.687 81 1HG2 VAL 12 1HG2 VAL 12 17.398 -1.771 -1.366 82 2HG2 VAL 12 2HG2 VAL 12 18.643 -0.869 -2.225 83 3HG2 VAL 12 3HG2 VAL 12 17.161 -1.313 -3.045 84 H LYS 13 H LYS 13 17.486 3.261 -0.984 85 HA LYS 13 HA LYS 13 20.205 3.554 -1.507 86 1HB LYS 13 1HB LYS 13 17.999 5.442 -0.656 87 2HB LYS 13 2HB LYS 13 19.604 5.965 -1.092 88 1HG LYS 13 1HG LYS 13 18.923 4.254 -3.221 89 2HG LYS 13 2HG LYS 13 17.376 4.997 -2.853 90 1HD LYS 13 1HD LYS 13 19.987 6.451 -3.414 91 2HD LYS 13 2HD LYS 13 18.623 6.379 -4.493 92 1HE LYS 13 1HE LYS 13 17.230 7.734 -3.025 93 2HE LYS 13 2HE LYS 13 18.391 7.602 -1.696 94 1HZ LYS 13 1HZ LYS 13 18.532 9.451 -3.905 95 2HZ LYS 13 2HZ LYS 13 19.814 8.430 -3.911 96 3HZ LYS 13 3HZ LYS 13 19.545 9.371 -2.555 97 H HIS 14 H HIS 14 18.670 3.208 1.461 98 HA HIS 14 HA HIS 14 20.800 4.574 3.053 99 1HB HIS 14 1HB HIS 14 18.267 3.064 3.949 100 2HB HIS 14 2HB HIS 14 19.459 3.666 5.071 101 HD1 HIS 14 HD1 HIS 14 17.063 5.058 2.522 102 HD2 HIS 14 HD2 HIS 14 19.314 6.302 5.687 103 HE1 HIS 14 HE1 HIS 14 16.414 7.429 2.977 104 H LEU 15 H LEU 15 20.412 1.521 1.699 105 HA LEU 15 HA LEU 15 21.444 -0.377 3.408 106 1HB LEU 15 1HB LEU 15 22.023 0.238 0.516 107 2HB LEU 15 2HB LEU 15 22.709 -1.163 1.254 108 HG LEU 15 HG LEU 15 19.714 -0.726 1.432 109 1HD1 LEU 15 1HD1 LEU 15 21.300 -2.121 -0.789 110 2HD1 LEU 15 2HD1 LEU 15 20.460 -0.592 -0.978 111 3HD1 LEU 15 3HD1 LEU 15 19.549 -2.035 -0.600 112 1HD2 LEU 15 1HD2 LEU 15 19.872 -3.248 1.545 113 2HD2 LEU 15 2HD2 LEU 15 20.933 -2.555 2.748 114 3HD2 LEU 15 3HD2 LEU 15 21.573 -3.107 1.213 115 H LYS 16 H LYS 16 23.190 -0.118 4.902 116 HA LYS 16 HA LYS 16 25.227 1.755 4.801 117 1HB LYS 16 1HB LYS 16 26.368 0.309 6.402 118 2HB LYS 16 2HB LYS 16 24.647 0.338 6.725 119 1HG LYS 16 1HG LYS 16 24.467 -1.823 5.310 120 2HG LYS 16 2HG LYS 16 26.206 -1.879 5.287 121 1HD LYS 16 1HD LYS 16 24.343 -1.988 7.711 122 2HD LYS 16 2HD LYS 16 25.300 -3.311 7.118 123 1HE LYS 16 1HE LYS 16 26.331 -0.742 8.433 124 2HE LYS 16 2HE LYS 16 26.366 -2.362 9.110 125 1HZ LYS 16 1HZ LYS 16 28.330 -2.705 8.067 126 2HZ LYS 16 2HZ LYS 16 28.260 -1.182 7.333 127 3HZ LYS 16 3HZ LYS 16 27.516 -2.517 6.581 128 H THR 17 H THR 17 24.957 -0.469 2.443 129 HA THR 17 HA THR 17 27.629 -0.040 1.377 130 HB THR 17 HB THR 17 26.436 -2.744 2.147 131 HG1 THR 17 HG1 THR 17 28.211 -1.019 3.130 132 1HG2 THR 17 1HG2 THR 17 28.384 -3.794 1.089 133 2HG2 THR 17 2HG2 THR 17 29.022 -2.255 0.556 134 3HG2 THR 17 3HG2 THR 17 27.568 -2.917 -0.196 135 H LYS 18 H LYS 18 27.651 -0.511 -0.851 136 HA LYS 18 HA LYS 18 25.106 -0.200 -2.257 137 1HB LYS 18 1HB LYS 18 27.697 -0.262 -3.733 138 2HB LYS 18 2HB LYS 18 26.493 1.006 -3.783 139 1HG LYS 18 1HG LYS 18 28.322 2.166 -2.779 140 2HG LYS 18 2HG LYS 18 27.553 1.565 -1.322 141 1HD LYS 18 1HD LYS 18 29.140 -0.605 -1.767 142 2HD LYS 18 2HD LYS 18 29.977 0.500 -2.819 143 1HE LYS 18 1HE LYS 18 30.533 2.037 -1.035 144 2HE LYS 18 2HE LYS 18 29.599 1.117 0.135 145 1HZ LYS 18 1HZ LYS 18 31.343 -0.650 -1.220 146 2HZ LYS 18 2HZ LYS 18 31.361 -0.268 0.427 147 3HZ LYS 18 3HZ LYS 18 32.288 0.639 -0.655 148 HA PRO 19 HA PRO 19 25.534 -4.748 -2.067 149 1HB PRO 19 1HB PRO 19 23.270 -4.359 -4.050 150 2HB PRO 19 2HB PRO 19 23.436 -5.609 -2.825 151 1HG PRO 19 1HG PRO 19 21.941 -3.534 -2.194 152 2HG PRO 19 2HG PRO 19 23.195 -3.947 -1.015 153 1HD PRO 19 1HD PRO 19 23.331 -1.792 -3.208 154 2HD PRO 19 2HD PRO 19 23.706 -1.624 -1.487 155 H ALA 20 H ALA 20 25.570 -6.588 -3.596 156 HA ALA 20 HA ALA 20 27.772 -6.152 -5.477 157 1HB ALA 20 1HB ALA 20 27.417 -8.307 -4.262 158 2HB ALA 20 2HB ALA 20 27.428 -8.575 -5.995 159 3HB ALA 20 3HB ALA 20 25.900 -8.552 -5.124 160 H ASP 21 H ASP 21 27.621 -6.597 -7.810 161 HA ASP 21 HA ASP 21 25.747 -4.905 -9.072 162 1HB ASP 21 1HB ASP 21 26.695 -7.222 -10.800 163 2HB ASP 21 2HB ASP 21 26.970 -5.502 -11.035 164 H GLU 22 H GLU 22 25.550 -8.480 -9.376 165 HA GLU 22 HA GLU 22 23.116 -8.539 -10.614 166 1HB GLU 22 1HB GLU 22 24.079 -10.329 -8.243 167 2HB GLU 22 2HB GLU 22 22.642 -10.760 -9.133 168 1HG GLU 22 1HG GLU 22 23.990 -11.020 -11.212 169 2HG GLU 22 2HG GLU 22 25.445 -10.588 -10.334 170 H GLU 23 H GLU 23 23.375 -8.285 -7.144 171 HA GLU 23 HA GLU 23 20.518 -8.025 -6.750 172 1HB GLU 23 1HB GLU 23 22.939 -7.234 -5.003 173 2HB GLU 23 2HB GLU 23 21.302 -7.083 -4.426 174 1HG GLU 23 1HG GLU 23 22.540 -9.640 -5.518 175 2HG GLU 23 2HG GLU 23 22.390 -9.360 -3.795 176 H MET 24 H MET 24 23.122 -5.555 -7.066 177 HA MET 24 HA MET 24 21.476 -3.263 -6.971 178 1HB MET 24 1HB MET 24 24.028 -4.044 -8.401 179 2HB MET 24 2HB MET 24 23.419 -2.473 -8.701 180 1HG MET 24 1HG MET 24 23.435 -2.259 -6.080 181 2HG MET 24 2HG MET 24 24.318 -3.739 -6.098 182 1HE MET 24 1HE MET 24 25.844 0.395 -6.600 183 2HE MET 24 2HE MET 24 24.406 -0.204 -5.806 184 3HE MET 24 3HE MET 24 24.452 -0.056 -7.569 185 H LEU 25 H LEU 25 22.521 -4.981 -9.905 186 HA LEU 25 HA LEU 25 21.077 -3.988 -11.927 187 1HB LEU 25 1HB LEU 25 21.948 -6.776 -11.091 188 2HB LEU 25 2HB LEU 25 21.305 -6.580 -12.663 189 HG LEU 25 HG LEU 25 23.750 -5.277 -11.464 190 1HD1 LEU 25 1HD1 LEU 25 24.993 -6.444 -13.206 191 2HD1 LEU 25 2HD1 LEU 25 23.531 -7.288 -13.686 192 3HD1 LEU 25 3HD1 LEU 25 24.188 -7.508 -12.082 193 1HD2 LEU 25 1HD2 LEU 25 22.588 -3.692 -13.204 194 2HD2 LEU 25 2HD2 LEU 25 22.632 -5.013 -14.357 195 3HD2 LEU 25 3HD2 LEU 25 24.114 -4.285 -13.784 196 H PHE 26 H PHE 26 19.860 -6.473 -9.677 197 HA PHE 26 HA PHE 26 17.242 -6.649 -10.860 198 1HB PHE 26 1HB PHE 26 18.116 -8.250 -9.097 199 2HB PHE 26 2HB PHE 26 17.953 -6.991 -7.891 200 HD1 PHE 26 HD1 PHE 26 16.310 -9.691 -9.411 201 HD2 PHE 26 HD2 PHE 26 15.499 -5.831 -7.815 202 HE1 PHE 26 HE1 PHE 26 13.933 -10.292 -9.122 203 HE2 PHE 26 HE2 PHE 26 13.155 -6.432 -7.541 204 HZ PHE 26 HZ PHE 26 12.349 -8.625 -8.177 205 H ILE 27 H ILE 27 18.261 -4.863 -7.936 206 HA ILE 27 HA ILE 27 15.881 -3.353 -7.597 207 HB ILE 27 HB ILE 27 18.792 -2.993 -6.889 208 1HG1 ILE 27 1HG1 ILE 27 17.301 -4.515 -5.583 209 2HG1 ILE 27 2HG1 ILE 27 18.006 -3.254 -4.613 210 1HG2 ILE 27 1HG2 ILE 27 18.118 -0.645 -7.263 211 2HG2 ILE 27 2HG2 ILE 27 18.353 -0.989 -5.558 212 3HG2 ILE 27 3HG2 ILE 27 16.751 -0.864 -6.183 213 1HD1 ILE 27 1HD1 ILE 27 15.836 -2.003 -4.639 214 2HD1 ILE 27 2HD1 ILE 27 15.644 -3.629 -4.037 215 3HD1 ILE 27 3HD1 ILE 27 15.095 -3.236 -5.644 216 H TYR 28 H TYR 28 18.734 -2.396 -9.502 217 HA TYR 28 HA TYR 28 17.766 0.049 -10.493 218 1HB TYR 28 1HB TYR 28 20.078 -0.775 -10.813 219 2HB TYR 28 2HB TYR 28 19.530 -2.031 -11.892 220 HD1 TYR 28 HD1 TYR 28 18.083 -1.095 -14.061 221 HD2 TYR 28 HD2 TYR 28 20.799 1.210 -11.716 222 HE1 TYR 28 HE1 TYR 28 18.317 0.503 -15.872 223 HE2 TYR 28 HE2 TYR 28 21.011 2.764 -13.545 224 HH TYR 28 HH TYR 28 19.656 2.122 -16.723 225 H SER 29 H SER 29 17.704 -2.983 -12.370 226 HA SER 29 HA SER 29 15.955 -2.046 -14.427 227 1HB SER 29 1HB SER 29 15.355 -4.491 -14.803 228 2HB SER 29 2HB SER 29 17.069 -4.290 -14.540 229 HG SER 29 HG SER 29 16.807 -4.788 -12.406 230 H HIS 30 H HIS 30 15.014 -3.798 -11.445 231 HA HIS 30 HA HIS 30 12.199 -3.599 -11.898 232 1HB HIS 30 1HB HIS 30 13.958 -4.021 -9.444 233 2HB HIS 30 2HB HIS 30 12.249 -3.710 -9.179 234 HD1 HIS 30 HD1 HIS 30 10.714 -5.579 -9.713 235 HD2 HIS 30 HD2 HIS 30 14.448 -6.259 -11.251 236 HE1 HIS 30 HE1 HIS 30 10.699 -7.912 -10.689 237 H TYR 31 H TYR 31 14.259 -1.228 -10.008 238 HA TYR 31 HA TYR 31 12.197 0.558 -9.485 239 1HB TYR 31 1HB TYR 31 14.365 0.491 -8.449 240 2HB TYR 31 2HB TYR 31 15.169 0.914 -9.925 241 HD1 TYR 31 HD1 TYR 31 15.333 3.111 -10.592 242 HD2 TYR 31 HD2 TYR 31 12.743 2.155 -7.371 243 HE1 TYR 31 HE1 TYR 31 15.015 5.530 -10.109 244 HE2 TYR 31 HE2 TYR 31 12.446 4.558 -6.894 245 HH TYR 31 HH TYR 31 14.140 6.743 -7.471 246 H LYS 32 H LYS 32 14.433 0.425 -12.173 247 HA LYS 32 HA LYS 32 13.582 2.741 -13.597 248 1HB LYS 32 1HB LYS 32 15.049 0.168 -14.287 249 2HB LYS 32 2HB LYS 32 14.702 1.343 -15.524 250 1HG LYS 32 1HG LYS 32 15.893 2.172 -12.839 251 2HG LYS 32 2HG LYS 32 16.962 1.634 -14.079 252 1HD LYS 32 1HD LYS 32 16.297 3.437 -15.573 253 2HD LYS 32 2HD LYS 32 14.918 3.865 -14.597 254 1HE LYS 32 1HE LYS 32 16.412 5.499 -14.027 255 2HE LYS 32 2HE LYS 32 16.694 4.322 -12.763 256 1HZ LYS 32 1HZ LYS 32 18.571 5.413 -14.542 257 2HZ LYS 32 2HZ LYS 32 18.662 3.805 -14.914 258 3HZ LYS 32 3HZ LYS 32 18.913 4.402 -13.420 259 H GLN 33 H GLN 33 12.543 -0.596 -13.864 260 HA GLN 33 HA GLN 33 10.539 0.038 -15.951 261 1HB GLN 33 1HB GLN 33 11.041 -2.343 -14.100 262 2HB GLN 33 2HB GLN 33 9.565 -2.309 -15.055 263 1HG GLN 33 1HG GLN 33 12.452 -2.367 -16.083 264 2HG GLN 33 2HG GLN 33 11.169 -3.566 -16.264 265 1HE2 GLN 33 1HE2 GLN 33 12.536 -2.216 -18.695 266 2HE2 GLN 33 2HE2 GLN 33 11.213 -1.349 -19.339 267 H ALA 34 H ALA 34 10.233 -0.856 -12.521 268 HA ALA 34 HA ALA 34 7.670 -0.286 -11.851 269 1HB ALA 34 1HB ALA 34 10.101 0.538 -10.300 270 2HB ALA 34 2HB ALA 34 9.368 -1.051 -10.276 271 3HB ALA 34 3HB ALA 34 8.497 0.325 -9.616 272 H THR 35 H THR 35 10.038 2.194 -12.633 273 HA THR 35 HA THR 35 7.982 4.291 -12.054 274 HB THR 35 HB THR 35 9.830 5.905 -11.685 275 HG1 THR 35 HG1 THR 35 11.642 3.799 -11.814 276 1HG2 THR 35 1HG2 THR 35 10.918 4.872 -9.741 277 2HG2 THR 35 2HG2 THR 35 10.475 3.259 -10.284 278 3HG2 THR 35 3HG2 THR 35 9.238 4.371 -9.739 279 H VAL 36 H VAL 36 10.751 3.631 -14.296 280 HA VAL 36 HA VAL 36 9.706 5.719 -16.099 281 HB VAL 36 HB VAL 36 12.131 3.843 -16.506 282 1HG1 VAL 36 1HG1 VAL 36 11.207 5.044 -18.570 283 2HG1 VAL 36 2HG1 VAL 36 12.782 5.654 -18.107 284 3HG1 VAL 36 3HG1 VAL 36 11.348 6.561 -17.693 285 1HG2 VAL 36 1HG2 VAL 36 12.388 5.157 -14.415 286 2HG2 VAL 36 2HG2 VAL 36 12.060 6.635 -15.304 287 3HG2 VAL 36 3HG2 VAL 36 13.491 5.695 -15.670 288 H GLY 37 H GLY 37 10.414 2.291 -16.565 289 1HA GLY 37 1HA GLY 37 8.840 0.654 -17.602 290 2HA GLY 37 2HA GLY 37 8.000 2.000 -18.376 291 H ASP 38 H ASP 38 8.157 1.457 -20.490 292 HA ASP 38 HA ASP 38 10.025 0.166 -21.938 293 1HB ASP 38 1HB ASP 38 8.303 2.558 -22.581 294 2HB ASP 38 2HB ASP 38 9.343 1.884 -23.815 295 H ILE 39 H ILE 39 12.130 0.317 -21.340 296 HA ILE 39 HA ILE 39 13.638 2.641 -20.912 297 HB ILE 39 HB ILE 39 14.479 0.209 -20.802 298 1HG1 ILE 39 1HG1 ILE 39 16.320 2.107 -22.344 299 2HG1 ILE 39 2HG1 ILE 39 15.897 2.352 -20.651 300 1HG2 ILE 39 1HG2 ILE 39 14.985 0.682 -23.811 301 2HG2 ILE 39 2HG2 ILE 39 13.791 -0.429 -23.173 302 3HG2 ILE 39 3HG2 ILE 39 15.494 -0.711 -22.917 303 1HD1 ILE 39 1HD1 ILE 39 17.237 -0.137 -21.802 304 2HD1 ILE 39 2HD1 ILE 39 16.808 0.052 -20.130 305 3HD1 ILE 39 3HD1 ILE 39 18.028 1.076 -20.831 306 H ASN 40 H ASN 40 14.227 4.535 -22.369 307 HA ASN 40 HA ASN 40 14.058 3.995 -25.226 308 1HB ASN 40 1HB ASN 40 12.803 6.246 -25.320 309 2HB ASN 40 2HB ASN 40 11.842 4.941 -24.628 310 1HD2 ASN 40 1HD2 ASN 40 11.603 4.890 -22.287 311 2HD2 ASN 40 2HD2 ASN 40 11.827 6.346 -21.412 312 H THR 41 H THR 41 16.035 4.555 -22.854 313 HA THR 41 HA THR 41 17.313 7.014 -23.808 314 HB THR 41 HB THR 41 18.878 6.652 -21.842 315 HG1 THR 41 HG1 THR 41 17.950 4.588 -20.655 316 1HG2 THR 41 1HG2 THR 41 16.446 7.372 -21.268 317 2HG2 THR 41 2HG2 THR 41 17.247 6.479 -19.994 318 3HG2 THR 41 3HG2 THR 41 16.081 5.684 -21.034 319 H GLU 42 H GLU 42 19.843 6.602 -23.669 320 HA GLU 42 HA GLU 42 20.374 4.833 -25.955 321 1HB GLU 42 1HB GLU 42 22.512 6.141 -26.076 322 2HB GLU 42 2HB GLU 42 21.195 7.266 -25.845 323 1HG GLU 42 1HG GLU 42 21.667 7.424 -23.421 324 2HG GLU 42 2HG GLU 42 22.838 6.125 -23.505 325 H ARG 43 H ARG 43 22.593 4.097 -25.844 326 HA ARG 43 HA ARG 43 22.802 2.053 -23.660 327 1HB ARG 43 1HB ARG 43 22.577 1.377 -26.085 328 2HB ARG 43 2HB ARG 43 24.164 2.068 -26.377 329 1HG ARG 43 1HG ARG 43 25.244 0.585 -24.847 330 2HG ARG 43 2HG ARG 43 23.718 0.062 -24.139 331 1HD ARG 43 1HD ARG 43 23.034 -0.970 -26.133 332 2HD ARG 43 2HD ARG 43 24.457 -0.401 -27.043 333 HE ARG 43 HE ARG 43 25.858 -1.636 -25.229 334 1HH1 ARG 43 1HH1 ARG 43 24.960 -3.519 -27.134 335 2HH1 ARG 43 2HH1 ARG 43 24.252 -4.752 -26.134 336 1HH2 ARG 43 1HH2 ARG 43 23.961 -2.658 -23.421 337 2HH2 ARG 43 2HH2 ARG 43 23.668 -4.227 -23.977 338 HA PRO 44 HA PRO 44 25.918 5.060 -22.174 339 1HB PRO 44 1HB PRO 44 26.655 2.447 -20.780 340 2HB PRO 44 2HB PRO 44 26.798 4.098 -20.129 341 1HG PRO 44 1HG PRO 44 24.528 2.830 -19.492 342 2HG PRO 44 2HG PRO 44 24.309 4.381 -20.300 343 1HD PRO 44 1HD PRO 44 24.293 1.615 -21.580 344 2HD PRO 44 2HD PRO 44 23.059 2.886 -21.725 345 H GLY 45 H GLY 45 26.886 2.009 -23.062 346 1HA GLY 45 1HA GLY 45 28.594 1.230 -24.736 347 2HA GLY 45 2HA GLY 45 28.809 2.915 -25.136 348 H MET 46 H MET 46 29.868 4.196 -23.328 349 HA MET 46 HA MET 46 32.573 3.565 -23.116 350 1HB MET 46 1HB MET 46 30.909 5.175 -21.088 351 2HB MET 46 2HB MET 46 32.657 5.129 -21.082 352 1HG MET 46 1HG MET 46 32.573 5.958 -23.466 353 2HG MET 46 2HG MET 46 30.863 6.242 -23.233 354 1HE MET 46 1HE MET 46 29.830 7.646 -21.854 355 2HE MET 46 2HE MET 46 30.336 9.322 -21.852 356 3HE MET 46 3HE MET 46 30.559 8.321 -20.403 357 H LEU 47 H LEU 47 30.387 3.196 -20.468 358 HA LEU 47 HA LEU 47 32.199 1.178 -19.221 359 1HB LEU 47 1HB LEU 47 29.811 2.064 -17.676 360 2HB LEU 47 2HB LEU 47 31.456 1.858 -17.132 361 HG LEU 47 HG LEU 47 30.369 4.205 -18.710 362 1HD1 LEU 47 1HD1 LEU 47 29.563 4.071 -16.401 363 2HD1 LEU 47 2HD1 LEU 47 30.675 5.416 -16.606 364 3HD1 LEU 47 3HD1 LEU 47 31.222 3.951 -15.818 365 1HD2 LEU 47 1HD2 LEU 47 33.129 3.826 -17.445 366 2HD2 LEU 47 2HD2 LEU 47 32.556 5.278 -18.254 367 3HD2 LEU 47 3HD2 LEU 47 32.822 3.825 -19.174 368 H ASP 48 H ASP 48 31.564 -0.680 -18.497 369 HA ASP 48 HA ASP 48 29.187 -1.934 -19.734 370 1HB ASP 48 1HB ASP 48 31.994 -2.731 -19.049 371 2HB ASP 48 2HB ASP 48 30.767 -3.988 -19.005 372 H PHE 49 H PHE 49 30.905 -2.632 -16.838 373 HA PHE 49 HA PHE 49 28.855 -3.877 -15.446 374 1HB PHE 49 1HB PHE 49 30.185 -3.516 -13.451 375 2HB PHE 49 2HB PHE 49 31.367 -3.497 -14.745 376 HD1 PHE 49 HD1 PHE 49 31.807 -1.023 -15.806 377 HD2 PHE 49 HD2 PHE 49 30.194 -1.803 -11.944 378 HE1 PHE 49 HE1 PHE 49 32.420 1.249 -15.103 379 HE2 PHE 49 HE2 PHE 49 30.790 0.440 -11.232 380 HZ PHE 49 HZ PHE 49 31.928 1.988 -12.793 381 H LYS 50 H LYS 50 29.525 -0.530 -15.345 382 HA LYS 50 HA LYS 50 26.874 -0.055 -14.070 383 1HB LYS 50 1HB LYS 50 28.924 0.828 -13.023 384 2HB LYS 50 2HB LYS 50 29.221 1.831 -14.436 385 1HG LYS 50 1HG LYS 50 27.454 3.316 -13.879 386 2HG LYS 50 2HG LYS 50 26.578 2.101 -12.983 387 1HD LYS 50 1HD LYS 50 28.073 2.224 -11.070 388 2HD LYS 50 2HD LYS 50 29.234 3.203 -11.945 389 1HE LYS 50 1HE LYS 50 27.899 5.149 -11.847 390 2HE LYS 50 2HE LYS 50 26.417 4.249 -11.629 391 1HZ LYS 50 1HZ LYS 50 26.622 4.590 -9.457 392 2HZ LYS 50 2HZ LYS 50 28.150 5.289 -9.617 393 3HZ LYS 50 3HZ LYS 50 28.016 3.614 -9.415 394 H GLY 51 H GLY 51 27.988 0.185 -17.240 395 1HA GLY 51 1HA GLY 51 25.876 2.197 -17.884 396 2HA GLY 51 2HA GLY 51 27.266 1.767 -18.904 397 H LYS 52 H LYS 52 27.247 -0.630 -19.634 398 HA LYS 52 HA LYS 52 24.627 -1.149 -20.796 399 1HB LYS 52 1HB LYS 52 27.027 -3.040 -20.656 400 2HB LYS 52 2HB LYS 52 25.550 -3.376 -21.521 401 1HG LYS 52 1HG LYS 52 26.997 -2.619 -23.237 402 2HG LYS 52 2HG LYS 52 25.987 -1.221 -22.880 403 1HD LYS 52 1HD LYS 52 27.716 0.006 -22.013 404 2HD LYS 52 2HD LYS 52 28.373 -1.357 -21.197 405 1HE LYS 52 1HE LYS 52 28.945 -0.642 -24.088 406 2HE LYS 52 2HE LYS 52 29.978 -0.561 -22.666 407 1HZ LYS 52 1HZ LYS 52 29.226 -3.113 -22.621 408 2HZ LYS 52 2HZ LYS 52 30.690 -2.581 -23.079 409 3HZ LYS 52 3HZ LYS 52 29.530 -2.914 -24.285 410 H ALA 53 H ALA 53 26.249 -2.817 -18.198 411 HA ALA 53 HA ALA 53 24.333 -4.916 -17.972 412 1HB ALA 53 1HB ALA 53 25.699 -3.566 -15.510 413 2HB ALA 53 2HB ALA 53 26.419 -4.859 -16.444 414 3HB ALA 53 3HB ALA 53 24.995 -5.166 -15.481 415 H LYS 54 H LYS 54 24.187 -1.795 -16.182 416 HA LYS 54 HA LYS 54 21.538 -2.358 -15.196 417 1HB LYS 54 1HB LYS 54 21.770 -0.251 -14.183 418 2HB LYS 54 2HB LYS 54 23.411 -0.852 -14.281 419 1HG LYS 54 1HG LYS 54 23.748 0.516 -16.409 420 2HG LYS 54 2HG LYS 54 22.118 1.140 -16.257 421 1HD LYS 54 1HD LYS 54 22.758 1.811 -13.847 422 2HD LYS 54 2HD LYS 54 24.324 1.271 -14.301 423 1HE LYS 54 1HE LYS 54 24.308 3.773 -14.534 424 2HE LYS 54 2HE LYS 54 24.360 3.095 -16.147 425 1HZ LYS 54 1HZ LYS 54 22.514 4.281 -16.647 426 2HZ LYS 54 2HZ LYS 54 22.460 4.853 -15.081 427 3HZ LYS 54 3HZ LYS 54 21.580 3.559 -15.461 428 H TRP 55 H TRP 55 22.432 -1.452 -18.529 429 HA TRP 55 HA TRP 55 19.944 0.010 -18.855 430 1HB TRP 55 1HB TRP 55 22.300 0.618 -19.624 431 2HB TRP 55 2HB TRP 55 22.196 -0.685 -20.781 432 HD1 TRP 55 HD1 TRP 55 20.580 2.761 -20.015 433 HE1 TRP 55 HE1 TRP 55 19.279 3.325 -22.081 434 HE3 TRP 55 HE3 TRP 55 21.072 -1.518 -22.609 435 HZ2 TRP 55 HZ2 TRP 55 18.444 2.192 -24.550 436 HZ3 TRP 55 HZ3 TRP 55 20.042 -1.789 -24.855 437 HH2 TRP 55 HH2 TRP 55 18.702 0.088 -25.828 438 H ASP 56 H ASP 56 21.738 -2.735 -19.572 439 HA ASP 56 HA ASP 56 20.120 -4.075 -21.507 440 1HB ASP 56 1HB ASP 56 22.489 -4.498 -19.680 441 2HB ASP 56 2HB ASP 56 22.060 -5.896 -20.446 442 H ALA 57 H ALA 57 20.852 -4.722 -18.070 443 HA ALA 57 HA ALA 57 18.882 -6.483 -17.387 444 1HB ALA 57 1HB ALA 57 20.681 -5.667 -15.918 445 2HB ALA 57 2HB ALA 57 19.138 -5.519 -15.081 446 3HB ALA 57 3HB ALA 57 19.896 -4.094 -15.791 447 H TRP 58 H TRP 58 18.385 -3.124 -18.071 448 HA TRP 58 HA TRP 58 15.574 -3.116 -17.102 449 1HB TRP 58 1HB TRP 58 17.031 -1.176 -16.570 450 2HB TRP 58 2HB TRP 58 17.374 -0.935 -18.274 451 HD1 TRP 58 HD1 TRP 58 13.803 -1.830 -17.540 452 HE1 TRP 58 HE1 TRP 58 12.420 0.310 -17.930 453 HE3 TRP 58 HE3 TRP 58 17.406 1.494 -17.779 454 HZ2 TRP 58 HZ2 TRP 58 12.771 3.101 -18.256 455 HZ3 TRP 58 HZ3 TRP 58 16.951 3.982 -18.075 456 HH2 TRP 58 HH2 TRP 58 14.653 4.753 -18.311 457 H ASN 59 H ASN 59 17.330 -2.994 -20.069 458 HA ASN 59 HA ASN 59 15.186 -2.550 -21.958 459 1HB ASN 59 1HB ASN 59 17.633 -2.236 -22.541 460 2HB ASN 59 2HB ASN 59 17.947 -3.929 -22.207 461 1HD2 ASN 59 1HD2 ASN 59 18.604 -4.632 -24.225 462 2HD2 ASN 59 2HD2 ASN 59 17.621 -4.490 -25.618 463 H GLU 60 H GLU 60 16.744 -5.321 -20.484 464 HA GLU 60 HA GLU 60 15.314 -7.456 -21.621 465 1HB GLU 60 1HB GLU 60 16.567 -7.100 -18.858 466 2HB GLU 60 2HB GLU 60 15.898 -8.642 -19.363 467 1HG GLU 60 1HG GLU 60 17.475 -8.526 -21.407 468 2HG GLU 60 2HG GLU 60 18.229 -7.139 -20.658 469 H LEU 61 H LEU 61 14.107 -5.152 -19.481 470 HA LEU 61 HA LEU 61 11.583 -6.708 -19.045 471 1HB LEU 61 1HB LEU 61 12.594 -4.465 -17.302 472 2HB LEU 61 2HB LEU 61 11.317 -5.617 -16.920 473 HG LEU 61 HG LEU 61 14.336 -6.103 -17.045 474 1HD1 LEU 61 1HD1 LEU 61 12.288 -6.166 -14.775 475 2HD1 LEU 61 2HD1 LEU 61 13.361 -4.823 -15.115 476 3HD1 LEU 61 3HD1 LEU 61 14.031 -6.371 -14.629 477 1HD2 LEU 61 1HD2 LEU 61 13.777 -8.375 -16.311 478 2HD2 LEU 61 2HD2 LEU 61 13.045 -8.034 -17.864 479 3HD2 LEU 61 3HD2 LEU 61 12.047 -8.027 -16.421 480 H LYS 62 H LYS 62 12.730 -4.496 -21.029 481 HA LYS 62 HA LYS 62 11.673 -2.116 -20.887 482 1HB LYS 62 1HB LYS 62 12.911 -2.974 -22.735 483 2HB LYS 62 2HB LYS 62 11.556 -4.007 -23.256 484 1HG LYS 62 1HG LYS 62 10.168 -1.685 -23.347 485 2HG LYS 62 2HG LYS 62 11.724 -0.922 -23.333 486 1HD LYS 62 1HD LYS 62 12.360 -2.047 -25.391 487 2HD LYS 62 2HD LYS 62 10.904 -3.013 -25.393 488 1HE LYS 62 1HE LYS 62 11.093 0.024 -25.718 489 2HE LYS 62 2HE LYS 62 10.675 -1.122 -26.985 490 1HZ LYS 62 1HZ LYS 62 8.932 0.104 -25.141 491 2HZ LYS 62 2HZ LYS 62 8.952 -1.512 -24.726 492 3HZ LYS 62 3HZ LYS 62 8.499 -1.037 -26.284 493 H GLY 63 H GLY 63 9.372 -4.729 -21.311 494 1HA GLY 63 1HA GLY 63 7.287 -2.565 -21.378 495 2HA GLY 63 2HA GLY 63 7.082 -4.136 -22.118 496 H THR 64 H THR 64 8.115 -3.280 -18.836 497 HA THR 64 HA THR 64 5.982 -5.140 -17.875 498 HB THR 64 HB THR 64 8.470 -3.994 -16.538 499 HG1 THR 64 HG1 THR 64 7.515 -6.603 -17.070 500 1HG2 THR 64 1HG2 THR 64 7.969 -5.586 -14.690 501 2HG2 THR 64 2HG2 THR 64 6.471 -6.108 -15.426 502 3HG2 THR 64 3HG2 THR 64 6.611 -4.499 -14.718 503 H SER 65 H SER 65 4.983 -4.708 -15.869 504 HA SER 65 HA SER 65 3.571 -2.136 -15.824 505 1HB SER 65 1HB SER 65 2.137 -3.743 -14.159 506 2HB SER 65 2HB SER 65 1.908 -3.715 -15.907 507 HG SER 65 HG SER 65 2.778 -5.753 -14.405 508 H LYS 66 H LYS 66 4.130 -0.741 -14.527 509 HA LYS 66 HA LYS 66 5.919 -0.303 -12.705 510 1HB LYS 66 1HB LYS 66 3.027 0.548 -12.419 511 2HB LYS 66 2HB LYS 66 4.380 1.407 -11.719 512 1HG LYS 66 1HG LYS 66 3.594 1.137 -14.651 513 2HG LYS 66 2HG LYS 66 3.686 2.569 -13.664 514 1HD LYS 66 1HD LYS 66 6.155 2.209 -13.417 515 2HD LYS 66 2HD LYS 66 6.086 0.892 -14.578 516 1HE LYS 66 1HE LYS 66 5.188 2.469 -16.249 517 2HE LYS 66 2HE LYS 66 5.245 3.762 -15.047 518 1HZ LYS 66 1HZ LYS 66 7.378 2.915 -16.665 519 2HZ LYS 66 2HZ LYS 66 7.736 2.361 -15.113 520 3HZ LYS 66 3HZ LYS 66 7.391 4.043 -15.431 521 H GLU 67 H GLU 67 2.895 -1.102 -11.458 522 HA GLU 67 HA GLU 67 3.392 -1.539 -8.784 523 1HB GLU 67 1HB GLU 67 1.470 -2.465 -10.849 524 2HB GLU 67 2HB GLU 67 1.310 -3.208 -9.311 525 1HG GLU 67 1HG GLU 67 -0.266 -1.305 -9.336 526 2HG GLU 67 2HG GLU 67 0.973 -1.047 -8.142 527 H ASP 68 H ASP 68 3.725 -4.088 -11.270 528 HA ASP 68 HA ASP 68 4.278 -6.166 -9.357 529 1HB ASP 68 1HB ASP 68 4.575 -5.694 -12.315 530 2HB ASP 68 2HB ASP 68 4.663 -7.261 -11.586 531 H ALA 69 H ALA 69 6.002 -4.168 -11.430 532 HA ALA 69 HA ALA 69 8.646 -5.175 -10.869 533 1HB ALA 69 1HB ALA 69 7.798 -2.306 -11.515 534 2HB ALA 69 2HB ALA 69 8.162 -3.494 -12.738 535 3HB ALA 69 3HB ALA 69 9.449 -2.911 -11.694 536 H MET 70 H MET 70 6.509 -2.781 -9.384 537 HA MET 70 HA MET 70 8.263 -2.033 -7.233 538 1HB MET 70 1HB MET 70 5.143 -2.185 -7.197 539 2HB MET 70 2HB MET 70 6.060 -1.412 -5.941 540 1HG MET 70 1HG MET 70 6.907 0.242 -7.586 541 2HG MET 70 2HG MET 70 6.044 -0.595 -8.815 542 1HE MET 70 1HE MET 70 3.973 1.617 -9.660 543 2HE MET 70 2HE MET 70 5.686 1.308 -9.607 544 3HE MET 70 3HE MET 70 5.083 2.741 -8.819 545 H LYS 71 H LYS 71 5.637 -4.461 -7.044 546 HA LYS 71 HA LYS 71 6.244 -5.385 -4.512 547 1HB LYS 71 1HB LYS 71 5.441 -6.927 -7.004 548 2HB LYS 71 2HB LYS 71 5.473 -7.688 -5.416 549 1HG LYS 71 1HG LYS 71 3.923 -5.987 -4.528 550 2HG LYS 71 2HG LYS 71 3.837 -5.187 -6.085 551 1HD LYS 71 1HD LYS 71 3.052 -8.106 -5.599 552 2HD LYS 71 2HD LYS 71 1.904 -6.785 -5.576 553 1HE LYS 71 1HE LYS 71 3.616 -7.519 -7.978 554 2HE LYS 71 2HE LYS 71 1.963 -8.043 -7.731 555 1HZ LYS 71 1HZ LYS 71 2.035 -5.220 -7.340 556 2HZ LYS 71 2HZ LYS 71 1.297 -6.095 -8.661 557 3HZ LYS 71 3HZ LYS 71 2.803 -5.575 -8.803 558 H ALA 72 H ALA 72 7.646 -6.749 -7.445 559 HA ALA 72 HA ALA 72 9.601 -8.384 -6.132 560 1HB ALA 72 1HB ALA 72 9.577 -7.037 -8.906 561 2HB ALA 72 2HB ALA 72 8.804 -8.547 -8.471 562 3HB ALA 72 3HB ALA 72 10.533 -8.453 -8.488 563 H TYR 73 H TYR 73 9.943 -4.988 -7.328 564 HA TYR 73 HA TYR 73 12.605 -4.512 -6.674 565 1HB TYR 73 1HB TYR 73 11.135 -2.890 -7.859 566 2HB TYR 73 2HB TYR 73 10.163 -2.730 -6.434 567 HD1 TYR 73 HD1 TYR 73 10.653 -1.072 -4.836 568 HD2 TYR 73 HD2 TYR 73 13.625 -2.268 -7.648 569 HE1 TYR 73 HE1 TYR 73 12.110 0.769 -4.099 570 HE2 TYR 73 HE2 TYR 73 15.035 -0.458 -6.888 571 HH TYR 73 HH TYR 73 15.002 1.507 -5.831 572 H ILE 74 H ILE 74 9.827 -3.908 -4.764 573 HA ILE 74 HA ILE 74 11.055 -3.157 -2.305 574 HB ILE 74 HB ILE 74 8.316 -4.431 -2.802 575 1HG1 ILE 74 1HG1 ILE 74 8.957 -1.500 -2.416 576 2HG1 ILE 74 2HG1 ILE 74 8.865 -2.213 -4.014 577 1HG2 ILE 74 1HG2 ILE 74 9.419 -2.701 -0.472 578 2HG2 ILE 74 2HG2 ILE 74 9.182 -4.442 -0.352 579 3HG2 ILE 74 3HG2 ILE 74 7.808 -3.382 -0.563 580 1HD1 ILE 74 1HD1 ILE 74 6.615 -2.268 -1.950 581 2HD1 ILE 74 2HD1 ILE 74 6.560 -3.021 -3.535 582 3HD1 ILE 74 3HD1 ILE 74 6.645 -1.271 -3.386 583 H ASP 75 H ASP 75 9.881 -6.323 -3.452 584 HA ASP 75 HA ASP 75 10.540 -7.777 -1.085 585 1HB ASP 75 1HB ASP 75 9.767 -8.282 -3.910 586 2HB ASP 75 2HB ASP 75 10.627 -9.571 -3.170 587 H LYS 76 H LYS 76 12.354 -6.603 -3.772 588 HA LYS 76 HA LYS 76 14.608 -8.373 -3.230 589 1HB LYS 76 1HB LYS 76 14.035 -7.230 -5.483 590 2HB LYS 76 2HB LYS 76 14.594 -5.714 -4.823 591 1HG LYS 76 1HG LYS 76 16.515 -6.669 -5.957 592 2HG LYS 76 2HG LYS 76 16.784 -6.904 -4.237 593 1HD LYS 76 1HD LYS 76 15.888 -9.225 -4.373 594 2HD LYS 76 2HD LYS 76 15.553 -9.042 -6.079 595 1HE LYS 76 1HE LYS 76 17.839 -8.967 -6.589 596 2HE LYS 76 2HE LYS 76 18.279 -8.627 -4.925 597 1HZ LYS 76 1HZ LYS 76 18.137 -11.131 -6.087 598 2HZ LYS 76 2HZ LYS 76 16.775 -11.069 -4.963 599 3HZ LYS 76 3HZ LYS 76 18.336 -10.738 -4.487 600 H VAL 77 H VAL 77 13.745 -4.952 -2.737 601 HA VAL 77 HA VAL 77 15.907 -4.156 -1.068 602 HB VAL 77 HB VAL 77 12.931 -3.436 -0.636 603 1HG1 VAL 77 1HG1 VAL 77 14.546 -2.869 1.276 604 2HG1 VAL 77 2HG1 VAL 77 13.938 -1.432 0.499 605 3HG1 VAL 77 3HG1 VAL 77 15.552 -2.013 0.141 606 1HG2 VAL 77 1HG2 VAL 77 13.539 -1.439 -2.050 607 2HG2 VAL 77 2HG2 VAL 77 13.792 -2.905 -2.970 608 3HG2 VAL 77 3HG2 VAL 77 15.144 -2.073 -2.245 609 H GLU 78 H GLU 78 12.802 -5.779 0.042 610 HA GLU 78 HA GLU 78 13.613 -6.302 2.636 611 1HB GLU 78 1HB GLU 78 11.543 -7.249 0.899 612 2HB GLU 78 2HB GLU 78 12.236 -8.689 1.548 613 1HG GLU 78 1HG GLU 78 11.371 -6.295 3.333 614 2HG GLU 78 2HG GLU 78 10.268 -7.571 2.878 615 H GLU 79 H GLU 79 14.205 -8.522 -0.149 616 HA GLU 79 HA GLU 79 15.889 -10.441 1.072 617 1HB GLU 79 1HB GLU 79 16.116 -9.166 -1.631 618 2HB GLU 79 2HB GLU 79 17.381 -10.215 -1.105 619 1HG GLU 79 1HG GLU 79 15.663 -12.097 -0.930 620 2HG GLU 79 2HG GLU 79 14.483 -10.944 -1.568 621 H LEU 80 H LEU 80 16.931 -7.361 -0.256 622 HA LEU 80 HA LEU 80 19.688 -7.542 0.279 623 1HB LEU 80 1HB LEU 80 17.842 -5.102 0.262 624 2HB LEU 80 2HB LEU 80 19.577 -4.971 0.287 625 HG LEU 80 HG LEU 80 17.923 -6.258 -1.934 626 1HD1 LEU 80 1HD1 LEU 80 19.647 -3.740 -1.807 627 2HD1 LEU 80 2HD1 LEU 80 17.897 -3.752 -1.854 628 3HD1 LEU 80 3HD1 LEU 80 18.828 -4.358 -3.223 629 1HD2 LEU 80 1HD2 LEU 80 20.022 -6.419 -3.134 630 2HD2 LEU 80 2HD2 LEU 80 20.139 -7.415 -1.706 631 3HD2 LEU 80 3HD2 LEU 80 20.945 -5.842 -1.752 632 H LYS 81 H LYS 81 17.147 -6.128 2.263 633 HA LYS 81 HA LYS 81 18.322 -5.236 4.447 634 1HB LYS 81 1HB LYS 81 15.883 -5.687 3.899 635 2HB LYS 81 2HB LYS 81 16.128 -7.312 4.496 636 1HG LYS 81 1HG LYS 81 16.729 -6.399 6.747 637 2HG LYS 81 2HG LYS 81 16.312 -4.796 6.168 638 1HD LYS 81 1HD LYS 81 14.073 -5.662 5.409 639 2HD LYS 81 2HD LYS 81 14.459 -7.211 6.126 640 1HE LYS 81 1HE LYS 81 14.751 -6.010 8.348 641 2HE LYS 81 2HE LYS 81 14.102 -4.575 7.561 642 1HZ LYS 81 1HZ LYS 81 12.037 -5.416 7.761 643 2HZ LYS 81 2HZ LYS 81 12.624 -6.822 8.515 644 3HZ LYS 81 3HZ LYS 81 12.506 -6.749 6.818 645 H LYS 82 H LYS 82 17.784 -8.634 4.090 646 HA LYS 82 HA LYS 82 19.124 -9.631 6.305 647 1HB LYS 82 1HB LYS 82 18.745 -10.919 3.575 648 2HB LYS 82 2HB LYS 82 19.279 -11.824 4.985 649 1HG LYS 82 1HG LYS 82 17.047 -12.224 5.305 650 2HG LYS 82 2HG LYS 82 17.036 -10.589 5.975 651 1HD LYS 82 1HD LYS 82 16.576 -9.766 3.574 652 2HD LYS 82 2HD LYS 82 16.263 -11.445 3.167 653 1HE LYS 82 1HE LYS 82 14.486 -11.531 4.881 654 2HE LYS 82 2HE LYS 82 14.822 -9.867 5.338 655 1HZ LYS 82 1HZ LYS 82 13.050 -10.613 3.342 656 2HZ LYS 82 2HZ LYS 82 14.454 -9.995 2.500 657 3HZ LYS 82 3HZ LYS 82 13.625 -9.126 3.663 658 H LYS 83 H LYS 83 20.324 -9.103 3.190 659 HA LYS 83 HA LYS 83 23.030 -10.074 3.755 660 1HB LYS 83 1HB LYS 83 21.874 -8.560 1.377 661 2HB LYS 83 2HB LYS 83 23.433 -9.371 1.383 662 1HG LYS 83 1HG LYS 83 22.466 -11.484 1.210 663 2HG LYS 83 2HG LYS 83 21.049 -11.047 2.130 664 1HD LYS 83 1HD LYS 83 20.171 -9.719 0.193 665 2HD LYS 83 2HD LYS 83 21.581 -10.109 -0.779 666 1HE LYS 83 1HE LYS 83 20.970 -12.519 -0.626 667 2HE LYS 83 2HE LYS 83 19.576 -12.095 0.360 668 1HZ LYS 83 1HZ LYS 83 19.520 -10.452 -1.988 669 2HZ LYS 83 2HZ LYS 83 18.428 -11.664 -1.611 670 3HZ LYS 83 3HZ LYS 83 19.824 -11.957 -2.478 671 H TYR 84 H TYR 84 21.733 -6.920 3.023 672 HA TYR 84 HA TYR 84 24.234 -5.617 3.967 673 1HB TYR 84 1HB TYR 84 22.036 -4.624 2.248 674 2HB TYR 84 2HB TYR 84 23.552 -3.782 2.481 675 HD1 TYR 84 HD1 TYR 84 21.726 -6.310 0.668 676 HD2 TYR 84 HD2 TYR 84 25.669 -4.968 1.553 677 HE1 TYR 84 HE1 TYR 84 22.596 -7.573 -1.281 678 HE2 TYR 84 HE2 TYR 84 26.516 -6.237 -0.386 679 HH TYR 84 HH TYR 84 25.239 -8.554 -1.728 680 H GLY 85 H GLY 85 20.871 -5.696 4.877 681 1HA GLY 85 1HA GLY 85 20.636 -4.864 7.288 682 2HA GLY 85 2HA GLY 85 21.258 -3.335 6.682 683 H ILE 86 H ILE 86 19.796 -3.047 4.229 684 HA ILE 86 HA ILE 86 17.025 -3.527 4.826 685 HB ILE 86 HB ILE 86 17.973 -1.712 6.245 686 1HG1 ILE 86 1HG1 ILE 86 15.890 -0.946 4.271 687 2HG1 ILE 86 2HG1 ILE 86 15.541 -2.125 5.521 688 1HG2 ILE 86 1HG2 ILE 86 19.402 -0.499 4.511 689 2HG2 ILE 86 2HG2 ILE 86 18.240 0.598 5.235 690 3HG2 ILE 86 3HG2 ILE 86 17.954 -0.052 3.645 691 1HD1 ILE 86 1HD1 ILE 86 16.208 0.805 6.017 692 2HD1 ILE 86 2HD1 ILE 86 16.095 -0.408 7.289 693 3HD1 ILE 86 3HD1 ILE 86 14.683 0.003 6.337 694 AH2 COA 1 AH2 COA 1 17.083 1.047 -8.356 695 AH61 COA 1 AH61 COA 1 14.783 3.153 -5.225 696 AH62 COA 1 AH62 COA 1 15.217 4.854 -5.303 697 AH8 COA 1 AH8 COA 1 18.034 7.408 -8.366 698 AH1* COA 1 AH1* COA 1 18.948 4.513 -10.711 699 AH2* COA 1 AH2* COA 1 19.152 7.526 -10.170 700 AHO2 COA 1 AHO2 COA 1 18.878 6.943 -12.686 701 AH3* COA 1 AH3* COA 1 21.148 7.499 -11.511 702 AH4* COA 1 AH4* COA 1 22.179 5.241 -10.315 703 AH51 COA 1 AH51 COA 1 22.245 6.300 -8.081 704 AH52 COA 1 AH52 COA 1 22.727 7.451 -9.284 705 1H12 COA 1 1H12 COA 1 21.488 7.922 -3.372 706 2H12 COA 1 2H12 COA 1 22.323 9.221 -4.117 707 1H13 COA 1 1H13 COA 1 22.962 8.169 -6.823 708 2H13 COA 1 2H13 COA 1 24.199 8.777 -5.755 709 3H13 COA 1 3H13 COA 1 24.359 7.195 -6.494 710 1H14 COA 1 1H14 COA 1 21.379 6.329 -6.132 711 2H14 COA 1 2H14 COA 1 21.581 5.576 -4.560 712 3H14 COA 1 3H14 COA 1 22.789 5.315 -5.813 713 H10 COA 1 H10 COA 1 23.295 6.272 -3.023 714 HO1 COA 1 HO1 COA 1 24.067 8.697 -3.785 715 HN8 COA 1 HN8 COA 1 25.584 6.038 -2.510 716 1H7 COA 1 1H7 COA 1 26.671 3.624 -3.352 717 2H7 COA 1 2H7 COA 1 27.448 4.771 -4.432 718 1H6 COA 1 1H6 COA 1 28.807 4.377 -2.120 719 2H6 COA 1 2H6 COA 1 28.462 6.070 -2.504 720 HN4 COA 1 HN4 COA 1 26.917 3.295 -1.341 721 1H3 COA 1 1H3 COA 1 26.078 2.995 0.998 722 2H3 COA 1 2H3 COA 1 25.468 4.680 0.883 723 1H2 COA 1 1H2 COA 1 25.033 2.485 -1.118 724 2H2 COA 1 2H2 COA 1 24.416 4.119 -1.249 725 1H2 PLY 2 1H2 PLY 2 22.514 3.418 -3.192 726 2H2 PLY 2 2H2 PLY 2 24.164 2.844 -2.910 727 1H3 PLY 2 1H3 PLY 2 23.724 2.126 -4.976 728 2H3 PLY 2 2H3 PLY 2 23.570 0.698 -3.968 729 1H4 PLY 2 1H4 PLY 2 20.954 2.211 -4.393 730 2H4 PLY 2 2H4 PLY 2 21.242 0.477 -4.335 731 1H5 PLY 2 1H5 PLY 2 22.186 2.241 -6.465 732 2H5 PLY 2 2H5 PLY 2 22.250 0.460 -6.429 733 1H6 PLY 2 1H6 PLY 2 19.660 0.653 -6.105 734 2H6 PLY 2 2H6 PLY 2 19.855 2.327 -6.578 735 1H7 PLY 2 1H7 PLY 2 20.741 -0.060 -8.158 736 2H7 PLY 2 2H7 PLY 2 19.344 0.917 -8.543 737 1H8 PLY 2 1H8 PLY 2 21.386 2.872 -8.356 738 2H8 PLY 2 2H8 PLY 2 20.710 2.263 -9.832 739 1H9 PLY 2 1H9 PLY 2 22.958 0.777 -8.424 740 2H9 PLY 2 2H9 PLY 2 22.330 0.534 -10.037 741 1HA PLY 2 1HA PLY 2 23.256 2.615 -10.840 742 2HA PLY 2 2HA PLY 2 23.651 3.143 -9.229 743 1HB PLY 2 1HB PLY 2 25.697 2.415 -10.363 744 2HB PLY 2 2HB PLY 2 25.369 1.338 -9.035 745 1HC PLY 2 1HC PLY 2 26.125 0.328 -11.337 746 2HC PLY 2 2HC PLY 2 24.493 0.640 -11.880 747 1HD PLY 2 1HD PLY 2 25.423 -1.215 -9.631 748 2HD PLY 2 2HD PLY 2 23.736 -0.775 -9.790 749 1HE PLY 2 1HE PLY 2 24.157 -2.856 -10.897 750 2HE PLY 2 2HE PLY 2 23.610 -1.606 -12.006 751 1HF PLY 2 1HF PLY 2 25.871 -1.329 -12.918 752 2HF PLY 2 2HF PLY 2 25.459 -3.034 -12.954 753 1HG PLY 2 1HG PLY 2 27.290 -1.785 -10.931 754 2HG PLY 2 2HG PLY 2 27.664 -2.775 -12.354 755 3HG PLY 2 3HG PLY 2 26.786 -3.471 -11.003 Start of MODEL 2 1 1H SER 1 1H SER 1 -1.943 1.652 -7.717 2 2H SER 1 2H SER 1 -1.068 1.734 -9.177 3 H SER 1 H SER 1 -1.628 0.231 -8.632 4 HA SER 1 HA SER 1 0.231 -0.059 -7.458 5 1HB SER 1 1HB SER 1 2.132 1.584 -7.921 6 2HB SER 1 2HB SER 1 1.194 1.340 -9.404 7 HG SER 1 HG SER 1 1.375 3.614 -7.990 8 H GLN 2 H GLN 2 1.734 1.207 -5.748 9 HA GLN 2 HA GLN 2 0.166 3.049 -4.024 10 1HB GLN 2 1HB GLN 2 0.194 1.498 -2.133 11 2HB GLN 2 2HB GLN 2 -0.294 0.559 -3.519 12 1HG GLN 2 1HG GLN 2 2.408 0.486 -2.141 13 2HG GLN 2 2HG GLN 2 1.315 -0.827 -2.445 14 1HE2 GLN 2 1HE2 GLN 2 4.102 0.632 -3.612 15 2HE2 GLN 2 2HE2 GLN 2 4.079 -0.099 -5.140 16 H ALA 3 H ALA 3 1.665 3.414 -2.045 17 HA ALA 3 HA ALA 3 4.278 4.514 -3.034 18 1HB ALA 3 1HB ALA 3 2.692 6.111 -2.083 19 2HB ALA 3 2HB ALA 3 4.165 6.057 -1.130 20 3HB ALA 3 3HB ALA 3 2.719 5.251 -0.544 21 H GLU 4 H GLU 4 3.801 1.670 -1.575 22 HA GLU 4 HA GLU 4 5.739 1.852 0.537 23 1HB GLU 4 1HB GLU 4 4.219 -0.395 -0.877 24 2HB GLU 4 2HB GLU 4 5.345 -0.697 0.400 25 1HG GLU 4 1HG GLU 4 2.919 1.144 0.753 26 2HG GLU 4 2HG GLU 4 2.972 -0.516 1.313 27 H PHE 5 H PHE 5 5.882 1.649 -2.666 28 HA PHE 5 HA PHE 5 8.289 0.149 -3.171 29 1HB PHE 5 1HB PHE 5 6.571 0.520 -4.863 30 2HB PHE 5 2HB PHE 5 6.580 2.241 -4.497 31 HD1 PHE 5 HD1 PHE 5 8.479 -0.532 -6.066 32 HD2 PHE 5 HD2 PHE 5 8.266 3.690 -5.469 33 HE1 PHE 5 HE1 PHE 5 10.233 -0.171 -7.774 34 HE2 PHE 5 HE2 PHE 5 9.983 4.028 -7.125 35 HZ PHE 5 HZ PHE 5 10.978 2.097 -8.301 36 H ASP 6 H ASP 6 7.409 3.489 -2.996 37 HA ASP 6 HA ASP 6 9.833 4.789 -3.223 38 1HB ASP 6 1HB ASP 6 7.216 5.334 -1.722 39 2HB ASP 6 2HB ASP 6 8.348 6.574 -2.169 40 H LYS 7 H LYS 7 8.183 3.640 -0.416 41 HA LYS 7 HA LYS 7 9.985 4.323 1.594 42 1HB LYS 7 1HB LYS 7 7.724 3.430 1.994 43 2HB LYS 7 2HB LYS 7 8.120 1.940 1.186 44 1HG LYS 7 1HG LYS 7 9.782 1.384 2.968 45 2HG LYS 7 2HG LYS 7 9.389 2.884 3.784 46 1HD LYS 7 1HD LYS 7 7.226 0.871 3.042 47 2HD LYS 7 2HD LYS 7 8.141 0.673 4.524 48 1HE LYS 7 1HE LYS 7 7.335 2.845 5.353 49 2HE LYS 7 2HE LYS 7 6.607 3.205 3.790 50 1HZ LYS 7 1HZ LYS 7 5.420 1.654 5.896 51 2HZ LYS 7 2HZ LYS 7 5.680 0.693 4.501 52 3HZ LYS 7 3HZ LYS 7 4.803 2.059 4.360 53 H ALA 8 H ALA 8 9.802 1.303 -0.348 54 HA ALA 8 HA ALA 8 12.195 0.116 0.695 55 1HB ALA 8 1HB ALA 8 10.460 -1.035 -0.726 56 2HB ALA 8 2HB ALA 8 12.035 -1.293 -1.423 57 3HB ALA 8 3HB ALA 8 10.954 -0.100 -2.122 58 H ALA 9 H ALA 9 11.751 2.271 -2.169 59 HA ALA 9 HA ALA 9 14.429 2.565 -2.928 60 1HB ALA 9 1HB ALA 9 13.649 4.883 -3.787 61 2HB ALA 9 2HB ALA 9 12.234 4.728 -2.828 62 3HB ALA 9 3HB ALA 9 12.498 3.609 -4.142 63 H GLU 10 H GLU 10 12.768 4.593 -0.567 64 HA GLU 10 HA GLU 10 14.893 6.202 0.342 65 1HB GLU 10 1HB GLU 10 12.794 4.832 2.142 66 2HB GLU 10 2HB GLU 10 13.736 6.215 2.608 67 1HG GLU 10 1HG GLU 10 12.556 7.594 0.868 68 2HG GLU 10 2HG GLU 10 11.600 6.207 0.390 69 H GLU 11 H GLU 11 13.842 3.132 1.579 70 HA GLU 11 HA GLU 11 15.947 2.604 3.327 71 1HB GLU 11 1HB GLU 11 14.209 0.728 1.697 72 2HB GLU 11 2HB GLU 11 15.360 0.151 2.876 73 1HG GLU 11 1HG GLU 11 13.954 2.318 4.144 74 2HG GLU 11 2HG GLU 11 12.761 1.374 3.322 75 H VAL 12 H VAL 12 15.853 1.543 -0.151 76 HA VAL 12 HA VAL 12 18.359 0.267 -0.165 77 HB VAL 12 HB VAL 12 16.325 0.555 -1.942 78 1HG1 VAL 12 1HG1 VAL 12 16.944 2.827 -2.773 79 2HG1 VAL 12 2HG1 VAL 12 17.107 1.616 -4.004 80 3HG1 VAL 12 3HG1 VAL 12 18.540 2.231 -3.213 81 1HG2 VAL 12 1HG2 VAL 12 18.023 -1.250 -1.912 82 2HG2 VAL 12 2HG2 VAL 12 19.229 -0.149 -2.582 83 3HG2 VAL 12 3HG2 VAL 12 17.840 -0.612 -3.538 84 H LYS 13 H LYS 13 17.509 3.600 -0.957 85 HA LYS 13 HA LYS 13 20.090 4.487 -1.671 86 1HB LYS 13 1HB LYS 13 17.518 5.678 -0.861 87 2HB LYS 13 2HB LYS 13 18.885 6.609 -0.361 88 1HG LYS 13 1HG LYS 13 19.367 5.859 -3.143 89 2HG LYS 13 2HG LYS 13 17.706 6.393 -3.027 90 1HD LYS 13 1HD LYS 13 18.904 8.413 -3.442 91 2HD LYS 13 2HD LYS 13 18.591 8.440 -1.721 92 1HE LYS 13 1HE LYS 13 20.885 9.114 -1.946 93 2HE LYS 13 2HE LYS 13 20.993 7.441 -1.426 94 1HZ LYS 13 1HZ LYS 13 21.902 8.612 -3.892 95 2HZ LYS 13 2HZ LYS 13 20.750 7.569 -4.248 96 3HZ LYS 13 3HZ LYS 13 22.149 7.007 -3.401 97 H HIS 14 H HIS 14 18.651 3.983 1.361 98 HA HIS 14 HA HIS 14 20.837 5.165 2.923 99 1HB HIS 14 1HB HIS 14 18.318 3.667 3.763 100 2HB HIS 14 2HB HIS 14 19.500 4.287 4.903 101 HD1 HIS 14 HD1 HIS 14 16.632 5.287 3.033 102 HD2 HIS 14 HD2 HIS 14 19.731 7.229 4.844 103 HE1 HIS 14 HE1 HIS 14 15.940 7.686 3.258 104 H LEU 15 H LEU 15 20.190 1.906 1.754 105 HA LEU 15 HA LEU 15 21.232 0.237 3.665 106 1HB LEU 15 1HB LEU 15 21.936 0.297 0.715 107 2HB LEU 15 2HB LEU 15 22.478 -1.002 1.756 108 HG LEU 15 HG LEU 15 19.651 -0.184 1.253 109 1HD1 LEU 15 1HD1 LEU 15 19.570 -2.466 0.162 110 2HD1 LEU 15 2HD1 LEU 15 21.292 -2.642 0.459 111 3HD1 LEU 15 3HD1 LEU 15 20.706 -1.395 -0.643 112 1HD2 LEU 15 1HD2 LEU 15 19.004 -2.246 2.489 113 2HD2 LEU 15 2HD2 LEU 15 19.760 -1.075 3.508 114 3HD2 LEU 15 3HD2 LEU 15 20.680 -2.479 2.976 115 H LYS 16 H LYS 16 22.752 0.740 5.115 116 HA LYS 16 HA LYS 16 25.067 2.250 4.657 117 1HB LYS 16 1HB LYS 16 25.950 1.161 6.721 118 2HB LYS 16 2HB LYS 16 24.307 1.726 6.915 119 1HG LYS 16 1HG LYS 16 23.401 -0.545 6.736 120 2HG LYS 16 2HG LYS 16 24.959 -1.188 6.205 121 1HD LYS 16 1HD LYS 16 26.004 -0.573 8.339 122 2HD LYS 16 2HD LYS 16 24.544 0.191 8.899 123 1HE LYS 16 1HE LYS 16 24.479 -2.727 8.162 124 2HE LYS 16 2HE LYS 16 25.162 -2.253 9.709 125 1HZ LYS 16 1HZ LYS 16 22.436 -2.495 9.096 126 2HZ LYS 16 2HZ LYS 16 22.657 -0.862 9.234 127 3HZ LYS 16 3HZ LYS 16 23.056 -1.888 10.494 128 H THR 17 H THR 17 24.614 -0.693 3.177 129 HA THR 17 HA THR 17 27.551 -0.883 2.697 130 HB THR 17 HB THR 17 25.773 -3.185 3.551 131 HG1 THR 17 HG1 THR 17 27.462 -1.262 4.681 132 1HG2 THR 17 1HG2 THR 17 27.918 -3.827 2.169 133 2HG2 THR 17 2HG2 THR 17 27.938 -4.350 3.845 134 3HG2 THR 17 3HG2 THR 17 28.843 -2.928 3.365 135 H LYS 18 H LYS 18 27.138 -0.037 0.693 136 HA LYS 18 HA LYS 18 25.948 -0.507 -1.650 137 1HB LYS 18 1HB LYS 18 28.139 0.534 -1.771 138 2HB LYS 18 2HB LYS 18 28.918 -0.982 -1.351 139 1HG LYS 18 1HG LYS 18 28.550 -1.989 -3.456 140 2HG LYS 18 2HG LYS 18 27.145 -1.026 -3.810 141 1HD LYS 18 1HD LYS 18 28.750 -0.035 -5.216 142 2HD LYS 18 2HD LYS 18 28.744 0.971 -3.773 143 1HE LYS 18 1HE LYS 18 30.755 -0.207 -2.922 144 2HE LYS 18 2HE LYS 18 30.842 -1.053 -4.471 145 1HZ LYS 18 1HZ LYS 18 31.703 0.789 -5.416 146 2HZ LYS 18 2HZ LYS 18 31.669 1.596 -3.903 147 3HZ LYS 18 3HZ LYS 18 30.329 1.672 -4.950 148 HA PRO 19 HA PRO 19 25.541 -5.017 -1.456 149 1HB PRO 19 1HB PRO 19 23.163 -4.575 -3.229 150 2HB PRO 19 2HB PRO 19 23.335 -5.403 -1.707 151 1HG PRO 19 1HG PRO 19 22.138 -2.945 -1.682 152 2HG PRO 19 2HG PRO 19 23.254 -3.407 -0.387 153 1HD PRO 19 1HD PRO 19 23.921 -1.838 -2.913 154 2HD PRO 19 2HD PRO 19 24.171 -1.365 -1.201 155 H ALA 20 H ALA 20 25.718 -6.651 -2.865 156 HA ALA 20 HA ALA 20 27.681 -6.510 -4.876 157 1HB ALA 20 1HB ALA 20 26.963 -8.624 -3.786 158 2HB ALA 20 2HB ALA 20 26.927 -8.825 -5.531 159 3HB ALA 20 3HB ALA 20 25.431 -8.575 -4.635 160 H ASP 21 H ASP 21 27.793 -6.023 -7.096 161 HA ASP 21 HA ASP 21 25.988 -4.398 -8.385 162 1HB ASP 21 1HB ASP 21 27.890 -6.576 -9.473 163 2HB ASP 21 2HB ASP 21 27.114 -5.368 -10.507 164 H GLU 22 H GLU 22 25.864 -8.025 -8.904 165 HA GLU 22 HA GLU 22 23.581 -8.097 -10.418 166 1HB GLU 22 1HB GLU 22 24.670 -9.783 -8.133 167 2HB GLU 22 2HB GLU 22 23.079 -10.214 -8.728 168 1HG GLU 22 1HG GLU 22 25.354 -9.852 -10.697 169 2HG GLU 22 2HG GLU 22 25.156 -11.373 -9.840 170 H GLU 23 H GLU 23 23.554 -7.962 -6.976 171 HA GLU 23 HA GLU 23 20.727 -7.659 -6.805 172 1HB GLU 23 1HB GLU 23 22.913 -6.799 -4.703 173 2HB GLU 23 2HB GLU 23 21.203 -7.068 -4.372 174 1HG GLU 23 1HG GLU 23 21.706 -9.455 -5.536 175 2HG GLU 23 2HG GLU 23 23.327 -9.088 -5.002 176 H MET 24 H MET 24 23.185 -5.347 -7.299 177 HA MET 24 HA MET 24 21.543 -2.964 -6.936 178 1HB MET 24 1HB MET 24 24.187 -3.511 -8.424 179 2HB MET 24 2HB MET 24 23.634 -1.909 -8.221 180 1HG MET 24 1HG MET 24 23.613 -2.491 -5.663 181 2HG MET 24 2HG MET 24 24.593 -3.831 -6.162 182 1HE MET 24 1HE MET 24 24.637 0.287 -6.533 183 2HE MET 24 2HE MET 24 25.739 0.265 -5.134 184 3HE MET 24 3HE MET 24 24.208 -0.542 -5.025 185 H LEU 25 H LEU 25 22.749 -4.783 -9.748 186 HA LEU 25 HA LEU 25 21.554 -3.691 -11.894 187 1HB LEU 25 1HB LEU 25 22.298 -6.460 -10.998 188 2HB LEU 25 2HB LEU 25 21.575 -6.352 -12.526 189 HG LEU 25 HG LEU 25 24.119 -5.004 -11.564 190 1HD1 LEU 25 1HD1 LEU 25 24.313 -7.423 -12.034 191 2HD1 LEU 25 2HD1 LEU 25 25.168 -6.495 -13.227 192 3HD1 LEU 25 3HD1 LEU 25 23.599 -7.202 -13.604 193 1HD2 LEU 25 1HD2 LEU 25 22.901 -3.598 -13.341 194 2HD2 LEU 25 2HD2 LEU 25 22.792 -5.028 -14.347 195 3HD2 LEU 25 3HD2 LEU 25 24.348 -4.325 -13.987 196 H PHE 26 H PHE 26 20.181 -6.127 -9.801 197 HA PHE 26 HA PHE 26 17.573 -6.288 -11.077 198 1HB PHE 26 1HB PHE 26 18.565 -7.909 -9.378 199 2HB PHE 26 2HB PHE 26 18.318 -6.672 -8.157 200 HD1 PHE 26 HD1 PHE 26 15.715 -5.658 -8.328 201 HD2 PHE 26 HD2 PHE 26 16.977 -9.617 -9.284 202 HE1 PHE 26 HE1 PHE 26 13.450 -6.468 -7.982 203 HE2 PHE 26 HE2 PHE 26 14.674 -10.426 -8.912 204 HZ PHE 26 HZ PHE 26 12.906 -8.844 -8.243 205 H ILE 27 H ILE 27 18.545 -4.649 -8.022 206 HA ILE 27 HA ILE 27 16.351 -3.050 -7.617 207 HB ILE 27 HB ILE 27 19.312 -2.587 -7.252 208 1HG1 ILE 27 1HG1 ILE 27 17.995 -4.356 -6.081 209 2HG1 ILE 27 2HG1 ILE 27 18.910 -3.236 -5.063 210 1HG2 ILE 27 1HG2 ILE 27 17.164 -0.769 -6.123 211 2HG2 ILE 27 2HG2 ILE 27 18.306 -0.337 -7.375 212 3HG2 ILE 27 3HG2 ILE 27 18.860 -0.713 -5.763 213 1HD1 ILE 27 1HD1 ILE 27 16.553 -3.680 -4.172 214 2HD1 ILE 27 2HD1 ILE 27 15.862 -3.095 -5.653 215 3HD1 ILE 27 3HD1 ILE 27 16.734 -2.012 -4.594 216 H TYR 28 H TYR 28 19.018 -2.063 -9.712 217 HA TYR 28 HA TYR 28 17.965 0.442 -10.524 218 1HB TYR 28 1HB TYR 28 20.325 -0.575 -10.913 219 2HB TYR 28 2HB TYR 28 19.669 -1.404 -12.303 220 HD1 TYR 28 HD1 TYR 28 20.096 1.977 -10.775 221 HD2 TYR 28 HD2 TYR 28 19.312 -0.185 -14.362 222 HE1 TYR 28 HE1 TYR 28 20.323 4.038 -12.059 223 HE2 TYR 28 HE2 TYR 28 19.540 1.900 -15.635 224 HH TYR 28 HH TYR 28 20.600 4.915 -14.162 225 H SER 29 H SER 29 17.818 -2.644 -12.347 226 HA SER 29 HA SER 29 16.069 -1.756 -14.404 227 1HB SER 29 1HB SER 29 15.401 -4.262 -14.581 228 2HB SER 29 2HB SER 29 17.136 -3.993 -14.541 229 HG SER 29 HG SER 29 17.073 -4.334 -12.274 230 H HIS 30 H HIS 30 15.232 -3.424 -11.445 231 HA HIS 30 HA HIS 30 12.395 -3.222 -11.771 232 1HB HIS 30 1HB HIS 30 14.307 -3.721 -9.459 233 2HB HIS 30 2HB HIS 30 12.569 -3.671 -9.173 234 HD1 HIS 30 HD1 HIS 30 11.179 -5.354 -10.474 235 HD2 HIS 30 HD2 HIS 30 15.164 -5.910 -11.119 236 HE1 HIS 30 HE1 HIS 30 11.416 -7.552 -11.640 237 H TYR 31 H TYR 31 14.498 -1.021 -9.716 238 HA TYR 31 HA TYR 31 12.480 0.692 -9.031 239 1HB TYR 31 1HB TYR 31 14.794 0.615 -8.111 240 2HB TYR 31 2HB TYR 31 15.399 1.265 -9.604 241 HD1 TYR 31 HD1 TYR 31 15.385 3.494 -9.979 242 HD2 TYR 31 HD2 TYR 31 12.889 1.940 -6.949 243 HE1 TYR 31 HE1 TYR 31 14.729 5.798 -9.360 244 HE2 TYR 31 HE2 TYR 31 12.232 4.241 -6.300 245 HH TYR 31 HH TYR 31 13.830 6.737 -6.924 246 H LYS 32 H LYS 32 14.585 0.898 -11.895 247 HA LYS 32 HA LYS 32 13.389 3.405 -12.773 248 1HB LYS 32 1HB LYS 32 15.096 1.276 -14.094 249 2HB LYS 32 2HB LYS 32 14.756 2.827 -14.813 250 1HG LYS 32 1HG LYS 32 15.443 3.511 -12.146 251 2HG LYS 32 2HG LYS 32 16.390 2.082 -12.353 252 1HD LYS 32 1HD LYS 32 17.856 3.585 -12.861 253 2HD LYS 32 2HD LYS 32 17.307 3.290 -14.507 254 1HE LYS 32 1HE LYS 32 15.972 5.311 -14.352 255 2HE LYS 32 2HE LYS 32 16.314 5.501 -12.629 256 1HZ LYS 32 1HZ LYS 32 18.761 5.247 -14.186 257 2HZ LYS 32 2HZ LYS 32 18.384 6.370 -13.093 258 3HZ LYS 32 3HZ LYS 32 17.864 6.567 -14.665 259 H GLN 33 H GLN 33 13.002 0.087 -13.832 260 HA GLN 33 HA GLN 33 10.880 0.784 -15.707 261 1HB GLN 33 1HB GLN 33 11.188 -1.412 -16.243 262 2HB GLN 33 2HB GLN 33 12.281 -1.584 -14.912 263 1HG GLN 33 1HG GLN 33 10.708 -3.232 -14.511 264 2HG GLN 33 2HG GLN 33 10.156 -1.899 -13.534 265 1HE2 GLN 33 1HE2 GLN 33 7.913 -1.295 -13.908 266 2HE2 GLN 33 2HE2 GLN 33 7.099 -1.917 -15.297 267 H ALA 34 H ALA 34 10.712 -0.157 -12.255 268 HA ALA 34 HA ALA 34 7.861 -0.089 -11.975 269 1HB ALA 34 1HB ALA 34 10.037 0.425 -9.934 270 2HB ALA 34 2HB ALA 34 9.405 -1.158 -10.335 271 3HB ALA 34 3HB ALA 34 8.367 0.027 -9.548 272 H THR 35 H THR 35 10.095 2.519 -12.109 273 HA THR 35 HA THR 35 7.922 4.452 -11.218 274 HB THR 35 HB THR 35 9.734 6.183 -10.898 275 HG1 THR 35 HG1 THR 35 11.568 4.087 -11.153 276 1HG2 THR 35 1HG2 THR 35 9.209 4.585 -9.005 277 2HG2 THR 35 2HG2 THR 35 10.871 5.151 -9.004 278 3HG2 THR 35 3HG2 THR 35 10.480 3.536 -9.600 279 H VAL 36 H VAL 36 10.467 4.034 -13.590 280 HA VAL 36 HA VAL 36 9.347 6.160 -15.325 281 HB VAL 36 HB VAL 36 11.697 4.199 -15.989 282 1HG1 VAL 36 1HG1 VAL 36 12.277 5.960 -17.653 283 2HG1 VAL 36 2HG1 VAL 36 10.878 6.891 -17.153 284 3HG1 VAL 36 3HG1 VAL 36 10.663 5.349 -17.952 285 1HG2 VAL 36 1HG2 VAL 36 13.217 5.965 -15.311 286 2HG2 VAL 36 2HG2 VAL 36 12.211 5.467 -13.964 287 3HG2 VAL 36 3HG2 VAL 36 11.862 6.979 -14.811 288 H GLY 37 H GLY 37 10.086 2.798 -15.727 289 1HA GLY 37 1HA GLY 37 8.224 1.163 -16.496 290 2HA GLY 37 2HA GLY 37 7.716 2.432 -17.597 291 H ASP 38 H ASP 38 8.173 1.859 -19.638 292 HA ASP 38 HA ASP 38 10.048 -0.140 -20.397 293 1HB ASP 38 1HB ASP 38 8.638 2.137 -21.847 294 2HB ASP 38 2HB ASP 38 9.760 1.140 -22.720 295 H ILE 39 H ILE 39 12.286 0.123 -21.240 296 HA ILE 39 HA ILE 39 13.798 2.225 -19.987 297 HB ILE 39 HB ILE 39 14.440 -0.078 -21.093 298 1HG1 ILE 39 1HG1 ILE 39 16.551 2.017 -21.605 299 2HG1 ILE 39 2HG1 ILE 39 15.954 1.842 -19.962 300 1HG2 ILE 39 1HG2 ILE 39 15.029 1.826 -23.403 301 2HG2 ILE 39 2HG2 ILE 39 13.838 0.527 -23.417 302 3HG2 ILE 39 3HG2 ILE 39 15.531 0.133 -23.264 303 1HD1 ILE 39 1HD1 ILE 39 17.063 -0.409 -21.740 304 2HD1 ILE 39 2HD1 ILE 39 16.429 -0.654 -20.127 305 3HD1 ILE 39 3HD1 ILE 39 17.885 0.281 -20.366 306 H ASN 40 H ASN 40 14.721 3.835 -20.869 307 HA ASN 40 HA ASN 40 13.439 5.363 -23.140 308 1HB ASN 40 1HB ASN 40 13.506 6.090 -20.217 309 2HB ASN 40 2HB ASN 40 13.766 7.423 -21.337 310 1HD2 ASN 40 1HD2 ASN 40 11.358 4.645 -20.860 311 2HD2 ASN 40 2HD2 ASN 40 10.130 5.641 -21.468 312 H THR 41 H THR 41 16.210 4.891 -21.238 313 HA THR 41 HA THR 41 17.879 6.774 -22.782 314 HB THR 41 HB THR 41 19.317 6.607 -20.837 315 HG1 THR 41 HG1 THR 41 20.309 4.748 -21.372 316 1HG2 THR 41 1HG2 THR 41 18.490 5.314 -18.881 317 2HG2 THR 41 2HG2 THR 41 17.372 4.386 -19.858 318 3HG2 THR 41 3HG2 THR 41 17.066 6.089 -19.556 319 H GLU 42 H GLU 42 19.757 5.919 -24.045 320 HA GLU 42 HA GLU 42 19.063 3.346 -25.314 321 1HB GLU 42 1HB GLU 42 20.703 5.726 -26.139 322 2HB GLU 42 2HB GLU 42 20.849 4.215 -27.017 323 1HG GLU 42 1HG GLU 42 18.439 4.168 -27.419 324 2HG GLU 42 2HG GLU 42 18.215 5.582 -26.376 325 H ARG 43 H ARG 43 20.274 1.749 -25.642 326 HA ARG 43 HA ARG 43 21.915 0.517 -23.889 327 1HB ARG 43 1HB ARG 43 21.033 -0.335 -26.081 328 2HB ARG 43 2HB ARG 43 22.449 0.381 -26.852 329 1HG ARG 43 1HG ARG 43 23.932 -0.931 -25.317 330 2HG ARG 43 2HG ARG 43 22.505 -1.608 -24.532 331 1HD ARG 43 1HD ARG 43 21.771 -2.539 -26.692 332 2HD ARG 43 2HD ARG 43 23.237 -1.901 -27.452 333 HE ARG 43 HE ARG 43 24.488 -3.323 -25.634 334 1HH1 ARG 43 1HH1 ARG 43 23.450 -4.817 -27.831 335 2HH1 ARG 43 2HH1 ARG 43 22.606 -6.163 -27.086 336 1HH2 ARG 43 1HH2 ARG 43 22.701 -4.400 -24.085 337 2HH2 ARG 43 2HH2 ARG 43 22.178 -5.904 -24.645 338 HA PRO 44 HA PRO 44 25.290 3.594 -23.467 339 1HB PRO 44 1HB PRO 44 26.010 1.228 -21.593 340 2HB PRO 44 2HB PRO 44 26.307 2.963 -21.380 341 1HG PRO 44 1HG PRO 44 24.082 2.059 -20.253 342 2HG PRO 44 2HG PRO 44 23.902 3.485 -21.278 343 1HD PRO 44 1HD PRO 44 23.368 0.564 -22.026 344 2HD PRO 44 2HD PRO 44 22.333 1.977 -22.285 345 H GLY 45 H GLY 45 27.297 3.843 -24.572 346 1HA GLY 45 1HA GLY 45 28.145 1.420 -26.119 347 2HA GLY 45 2HA GLY 45 28.523 3.086 -26.536 348 H MET 46 H MET 46 29.761 4.240 -24.815 349 HA MET 46 HA MET 46 32.345 3.331 -24.474 350 1HB MET 46 1HB MET 46 30.775 5.306 -22.735 351 2HB MET 46 2HB MET 46 32.524 5.169 -22.739 352 1HG MET 46 1HG MET 46 31.850 7.013 -24.170 353 2HG MET 46 2HG MET 46 32.546 5.763 -25.147 354 1HE MET 46 1HE MET 46 29.724 8.188 -24.634 355 2HE MET 46 2HE MET 46 28.951 6.819 -23.792 356 3HE MET 46 3HE MET 46 28.310 7.396 -25.315 357 H LEU 47 H LEU 47 30.111 3.419 -21.767 358 HA LEU 47 HA LEU 47 31.861 1.571 -20.230 359 1HB LEU 47 1HB LEU 47 29.260 2.919 -19.437 360 2HB LEU 47 2HB LEU 47 30.184 1.899 -18.354 361 HG LEU 47 HG LEU 47 32.164 3.619 -19.107 362 1HD1 LEU 47 1HD1 LEU 47 31.200 5.881 -19.216 363 2HD1 LEU 47 2HD1 LEU 47 29.573 5.231 -19.168 364 3HD1 LEU 47 3HD1 LEU 47 30.605 4.945 -20.562 365 1HD2 LEU 47 1HD2 LEU 47 30.032 4.161 -16.996 366 2HD2 LEU 47 2HD2 LEU 47 31.672 4.791 -16.988 367 3HD2 LEU 47 3HD2 LEU 47 31.400 3.069 -16.794 368 H ASP 48 H ASP 48 31.451 -0.269 -19.412 369 HA ASP 48 HA ASP 48 29.324 -1.985 -20.556 370 1HB ASP 48 1HB ASP 48 31.234 -3.772 -20.066 371 2HB ASP 48 2HB ASP 48 31.340 -2.658 -21.419 372 H PHE 49 H PHE 49 31.266 -2.719 -17.688 373 HA PHE 49 HA PHE 49 29.498 -4.473 -16.512 374 1HB PHE 49 1HB PHE 49 30.753 -4.164 -14.443 375 2HB PHE 49 2HB PHE 49 31.895 -3.745 -15.704 376 HD1 PHE 49 HD1 PHE 49 32.020 -1.177 -16.368 377 HD2 PHE 49 HD2 PHE 49 30.298 -2.635 -12.733 378 HE1 PHE 49 HE1 PHE 49 32.221 1.045 -15.367 379 HE2 PHE 49 HE2 PHE 49 30.514 -0.415 -11.744 380 HZ PHE 49 HZ PHE 49 31.460 1.424 -13.045 381 H LYS 50 H LYS 50 29.504 -1.150 -15.809 382 HA LYS 50 HA LYS 50 26.902 -1.379 -14.393 383 1HB LYS 50 1HB LYS 50 28.471 0.069 -13.287 384 2HB LYS 50 2HB LYS 50 28.979 0.848 -14.758 385 1HG LYS 50 1HG LYS 50 26.776 2.018 -14.912 386 2HG LYS 50 2HG LYS 50 26.235 1.205 -13.457 387 1HD LYS 50 1HD LYS 50 28.680 3.058 -13.486 388 2HD LYS 50 2HD LYS 50 27.072 3.684 -13.223 389 1HE LYS 50 1HE LYS 50 26.859 2.225 -11.197 390 2HE LYS 50 2HE LYS 50 28.477 1.597 -11.473 391 1HZ LYS 50 1HZ LYS 50 27.729 3.984 -10.115 392 2HZ LYS 50 2HZ LYS 50 28.477 4.462 -11.516 393 3HZ LYS 50 3HZ LYS 50 29.319 3.444 -10.425 394 H GLY 51 H GLY 51 28.246 0.433 -16.873 395 1HA GLY 51 1HA GLY 51 26.189 1.780 -18.160 396 2HA GLY 51 2HA GLY 51 27.494 1.055 -19.088 397 H LYS 52 H LYS 52 27.154 -1.302 -19.478 398 HA LYS 52 HA LYS 52 24.543 -1.636 -20.831 399 1HB LYS 52 1HB LYS 52 27.102 -3.260 -20.767 400 2HB LYS 52 2HB LYS 52 25.650 -4.078 -21.276 401 1HG LYS 52 1HG LYS 52 26.588 -3.375 -23.313 402 2HG LYS 52 2HG LYS 52 25.337 -2.188 -22.982 403 1HD LYS 52 1HD LYS 52 26.806 -0.498 -22.390 404 2HD LYS 52 2HD LYS 52 28.088 -1.582 -21.960 405 1HE LYS 52 1HE LYS 52 27.190 -1.160 -24.827 406 2HE LYS 52 2HE LYS 52 28.459 -0.216 -24.044 407 1HZ LYS 52 1HZ LYS 52 28.711 -2.768 -25.238 408 2HZ LYS 52 2HZ LYS 52 28.921 -2.908 -23.552 409 3HZ LYS 52 3HZ LYS 52 29.878 -1.806 -24.458 410 H ALA 53 H ALA 53 26.113 -3.521 -18.531 411 HA ALA 53 HA ALA 53 24.145 -5.535 -18.245 412 1HB ALA 53 1HB ALA 53 24.911 -5.872 -15.839 413 2HB ALA 53 2HB ALA 53 25.646 -4.291 -15.878 414 3HB ALA 53 3HB ALA 53 26.300 -5.574 -16.877 415 H LYS 54 H LYS 54 24.128 -2.493 -16.267 416 HA LYS 54 HA LYS 54 21.503 -3.164 -15.229 417 1HB LYS 54 1HB LYS 54 21.762 -1.240 -13.946 418 2HB LYS 54 2HB LYS 54 23.434 -1.637 -14.276 419 1HG LYS 54 1HG LYS 54 23.140 -0.088 -16.389 420 2HG LYS 54 2HG LYS 54 21.707 0.503 -15.553 421 1HD LYS 54 1HD LYS 54 23.096 0.839 -13.526 422 2HD LYS 54 2HD LYS 54 24.513 0.418 -14.470 423 1HE LYS 54 1HE LYS 54 24.534 2.763 -14.938 424 2HE LYS 54 2HE LYS 54 23.282 2.337 -16.093 425 1HZ LYS 54 1HZ LYS 54 22.957 3.940 -13.809 426 2HZ LYS 54 2HZ LYS 54 22.149 2.537 -13.459 427 3HZ LYS 54 3HZ LYS 54 21.784 3.493 -14.796 428 H TRP 55 H TRP 55 22.226 -2.191 -18.448 429 HA TRP 55 HA TRP 55 19.810 -0.539 -18.721 430 1HB TRP 55 1HB TRP 55 22.198 -0.055 -19.724 431 2HB TRP 55 2HB TRP 55 21.863 -1.349 -20.837 432 HD1 TRP 55 HD1 TRP 55 20.513 2.163 -19.850 433 HE1 TRP 55 HE1 TRP 55 19.037 2.875 -21.707 434 HE3 TRP 55 HE3 TRP 55 20.574 -2.042 -22.517 435 HZ2 TRP 55 HZ2 TRP 55 17.906 1.744 -24.251 436 HZ3 TRP 55 HZ3 TRP 55 19.320 -2.279 -24.640 437 HH2 TRP 55 HH2 TRP 55 17.987 -0.374 -25.503 438 H ASP 56 H ASP 56 21.496 -3.342 -19.577 439 HA ASP 56 HA ASP 56 19.663 -4.575 -21.437 440 1HB ASP 56 1HB ASP 56 22.249 -5.045 -19.982 441 2HB ASP 56 2HB ASP 56 21.507 -6.546 -20.230 442 H ALA 57 H ALA 57 20.564 -5.083 -18.080 443 HA ALA 57 HA ALA 57 18.698 -6.755 -17.039 444 1HB ALA 57 1HB ALA 57 19.798 -4.212 -15.804 445 2HB ALA 57 2HB ALA 57 20.597 -5.782 -15.834 446 3HB ALA 57 3HB ALA 57 19.120 -5.559 -14.901 447 H TRP 58 H TRP 58 18.023 -3.519 -17.994 448 HA TRP 58 HA TRP 58 15.295 -3.527 -16.772 449 1HB TRP 58 1HB TRP 58 16.754 -1.499 -16.426 450 2HB TRP 58 2HB TRP 58 16.899 -1.305 -18.152 451 HD1 TRP 58 HD1 TRP 58 13.299 -2.242 -17.335 452 HE1 TRP 58 HE1 TRP 58 12.009 -0.002 -17.429 453 HE3 TRP 58 HE3 TRP 58 17.038 1.128 -17.354 454 HZ2 TRP 58 HZ2 TRP 58 12.352 2.683 -17.449 455 HZ3 TRP 58 HZ3 TRP 58 16.533 3.597 -17.397 456 HH2 TRP 58 HH2 TRP 58 14.202 4.359 -17.432 457 H ASN 59 H ASN 59 16.855 -3.290 -19.769 458 HA ASN 59 HA ASN 59 14.549 -2.881 -21.548 459 1HB ASN 59 1HB ASN 59 17.009 -2.814 -22.310 460 2HB ASN 59 2HB ASN 59 17.007 -4.567 -22.214 461 1HD2 ASN 59 1HD2 ASN 59 16.956 -4.995 -24.608 462 2HD2 ASN 59 2HD2 ASN 59 15.672 -4.418 -25.577 463 H GLU 60 H GLU 60 16.115 -5.591 -19.908 464 HA GLU 60 HA GLU 60 14.719 -7.846 -20.788 465 1HB GLU 60 1HB GLU 60 15.945 -7.199 -18.086 466 2HB GLU 60 2HB GLU 60 15.182 -8.738 -18.350 467 1HG GLU 60 1HG GLU 60 16.836 -9.212 -20.194 468 2HG GLU 60 2HG GLU 60 17.652 -7.707 -19.808 469 H LEU 61 H LEU 61 13.566 -5.436 -18.743 470 HA LEU 61 HA LEU 61 11.126 -6.942 -17.894 471 1HB LEU 61 1HB LEU 61 12.138 -4.322 -16.795 472 2HB LEU 61 2HB LEU 61 10.865 -5.324 -16.130 473 HG LEU 61 HG LEU 61 13.854 -5.897 -16.193 474 1HD1 LEU 61 1HD1 LEU 61 11.810 -5.380 -13.985 475 2HD1 LEU 61 2HD1 LEU 61 13.034 -4.247 -14.567 476 3HD1 LEU 61 3HD1 LEU 61 13.527 -5.731 -13.762 477 1HD2 LEU 61 1HD2 LEU 61 12.591 -7.958 -16.593 478 2HD2 LEU 61 2HD2 LEU 61 11.561 -7.657 -15.190 479 3HD2 LEU 61 3HD2 LEU 61 13.282 -7.968 -14.980 480 H LYS 62 H LYS 62 12.024 -4.855 -20.281 481 HA LYS 62 HA LYS 62 10.137 -2.753 -20.065 482 1HB LYS 62 1HB LYS 62 12.161 -3.116 -21.671 483 2HB LYS 62 2HB LYS 62 11.129 -4.249 -22.535 484 1HG LYS 62 1HG LYS 62 9.383 -2.417 -22.636 485 2HG LYS 62 2HG LYS 62 10.614 -1.280 -22.110 486 1HD LYS 62 1HD LYS 62 12.060 -2.110 -24.046 487 2HD LYS 62 2HD LYS 62 10.670 -3.003 -24.612 488 1HE LYS 62 1HE LYS 62 10.962 -0.006 -24.357 489 2HE LYS 62 2HE LYS 62 10.698 -0.935 -25.825 490 1HZ LYS 62 1HZ LYS 62 8.597 -1.445 -23.893 491 2HZ LYS 62 2HZ LYS 62 8.465 -0.846 -25.466 492 3HZ LYS 62 3HZ LYS 62 8.727 0.183 -24.178 493 H GLY 63 H GLY 63 7.898 -2.695 -20.893 494 1HA GLY 63 1HA GLY 63 5.904 -3.784 -21.694 495 2HA GLY 63 2HA GLY 63 6.797 -5.296 -21.801 496 H THR 64 H THR 64 7.564 -4.354 -18.768 497 HA THR 64 HA THR 64 5.318 -5.947 -17.607 498 HB THR 64 HB THR 64 7.899 -5.057 -16.218 499 HG1 THR 64 HG1 THR 64 8.260 -6.355 -17.889 500 1HG2 THR 64 1HG2 THR 64 7.352 -6.970 -14.771 501 2HG2 THR 64 2HG2 THR 64 5.948 -7.382 -15.745 502 3HG2 THR 64 3HG2 THR 64 5.937 -5.925 -14.745 503 H SER 65 H SER 65 3.852 -5.182 -16.064 504 HA SER 65 HA SER 65 3.295 -2.459 -15.977 505 1HB SER 65 1HB SER 65 2.418 -3.992 -13.557 506 2HB SER 65 2HB SER 65 1.435 -3.204 -14.787 507 HG SER 65 HG SER 65 2.031 -5.722 -14.477 508 H LYS 66 H LYS 66 4.052 -0.859 -14.892 509 HA LYS 66 HA LYS 66 6.410 -0.589 -13.437 510 1HB LYS 66 1HB LYS 66 3.804 0.819 -12.843 511 2HB LYS 66 2HB LYS 66 5.354 1.335 -12.208 512 1HG LYS 66 1HG LYS 66 6.277 1.744 -14.364 513 2HG LYS 66 2HG LYS 66 4.953 1.002 -15.226 514 1HD LYS 66 1HD LYS 66 4.776 3.471 -13.449 515 2HD LYS 66 2HD LYS 66 4.873 3.486 -15.200 516 1HE LYS 66 1HE LYS 66 2.693 2.279 -15.349 517 2HE LYS 66 2HE LYS 66 2.595 2.186 -13.598 518 1HZ LYS 66 1HZ LYS 66 3.209 4.816 -14.302 519 2HZ LYS 66 2HZ LYS 66 1.780 4.274 -13.553 520 3HZ LYS 66 3HZ LYS 66 1.864 4.357 -15.230 521 H GLU 67 H GLU 67 3.352 -1.236 -12.257 522 HA GLU 67 HA GLU 67 3.517 -1.681 -9.554 523 1HB GLU 67 1HB GLU 67 1.811 -2.759 -11.852 524 2HB GLU 67 2HB GLU 67 1.373 -3.023 -10.202 525 1HG GLU 67 1HG GLU 67 1.728 -0.417 -9.945 526 2HG GLU 67 2HG GLU 67 1.833 -0.283 -11.677 527 H ASP 68 H ASP 68 3.870 -4.413 -12.071 528 HA ASP 68 HA ASP 68 4.522 -6.242 -10.081 529 1HB ASP 68 1HB ASP 68 4.759 -5.920 -13.105 530 2HB ASP 68 2HB ASP 68 5.378 -7.373 -12.352 531 H ALA 69 H ALA 69 6.271 -4.175 -12.106 532 HA ALA 69 HA ALA 69 8.892 -5.109 -11.333 533 1HB ALA 69 1HB ALA 69 8.524 -3.546 -13.146 534 2HB ALA 69 2HB ALA 69 9.699 -2.899 -11.981 535 3HB ALA 69 3HB ALA 69 8.044 -2.275 -12.042 536 H MET 70 H MET 70 6.604 -2.887 -9.807 537 HA MET 70 HA MET 70 8.308 -2.066 -7.628 538 1HB MET 70 1HB MET 70 5.244 -2.563 -7.462 539 2HB MET 70 2HB MET 70 6.142 -1.721 -6.232 540 1HG MET 70 1HG MET 70 6.724 -0.016 -8.042 541 2HG MET 70 2HG MET 70 5.547 -0.805 -9.044 542 1HE MET 70 1HE MET 70 6.198 1.983 -8.035 543 2HE MET 70 2HE MET 70 5.101 2.717 -6.890 544 3HE MET 70 3HE MET 70 4.599 2.478 -8.579 545 H LYS 71 H LYS 71 5.933 -4.724 -7.760 546 HA LYS 71 HA LYS 71 6.306 -6.049 -5.391 547 1HB LYS 71 1HB LYS 71 6.266 -7.353 -8.193 548 2HB LYS 71 2HB LYS 71 6.128 -8.287 -6.715 549 1HG LYS 71 1HG LYS 71 3.924 -7.379 -6.295 550 2HG LYS 71 2HG LYS 71 4.177 -6.068 -7.424 551 1HD LYS 71 1HD LYS 71 2.819 -7.608 -8.706 552 2HD LYS 71 2HD LYS 71 4.442 -7.906 -9.267 553 1HE LYS 71 1HE LYS 71 4.719 -9.865 -7.904 554 2HE LYS 71 2HE LYS 71 3.037 -9.739 -7.396 555 1HZ LYS 71 1HZ LYS 71 4.047 -10.729 -9.860 556 2HZ LYS 71 2HZ LYS 71 3.167 -9.342 -10.216 557 3HZ LYS 71 3HZ LYS 71 2.415 -10.626 -9.403 558 H ALA 72 H ALA 72 8.297 -6.718 -8.175 559 HA ALA 72 HA ALA 72 10.363 -8.193 -6.792 560 1HB ALA 72 1HB ALA 72 10.233 -6.760 -9.499 561 2HB ALA 72 2HB ALA 72 9.761 -8.413 -9.208 562 3HB ALA 72 3HB ALA 72 11.449 -7.958 -9.134 563 H TYR 73 H TYR 73 10.325 -4.745 -7.863 564 HA TYR 73 HA TYR 73 12.909 -4.068 -7.050 565 1HB TYR 73 1HB TYR 73 11.367 -2.396 -8.128 566 2HB TYR 73 2HB TYR 73 10.316 -2.468 -6.724 567 HD1 TYR 73 HD1 TYR 73 13.916 -2.014 -7.539 568 HD2 TYR 73 HD2 TYR 73 10.651 -0.838 -5.056 569 HE1 TYR 73 HE1 TYR 73 15.312 -0.335 -6.447 570 HE2 TYR 73 HE2 TYR 73 12.099 0.870 -4.005 571 HH TYR 73 HH TYR 73 15.204 1.509 -5.386 572 H ILE 74 H ILE 74 9.998 -3.869 -5.233 573 HA ILE 74 HA ILE 74 11.042 -3.208 -2.698 574 HB ILE 74 HB ILE 74 8.465 -4.708 -3.400 575 1HG1 ILE 74 1HG1 ILE 74 8.954 -1.741 -2.807 576 2HG1 ILE 74 2HG1 ILE 74 8.888 -2.360 -4.451 577 1HG2 ILE 74 1HG2 ILE 74 9.316 -3.107 -0.912 578 2HG2 ILE 74 2HG2 ILE 74 9.188 -4.855 -0.971 579 3HG2 ILE 74 3HG2 ILE 74 7.765 -3.877 -1.164 580 1HD1 ILE 74 1HD1 ILE 74 6.661 -1.467 -3.793 581 2HD1 ILE 74 2HD1 ILE 74 6.585 -2.589 -2.456 582 3HD1 ILE 74 3HD1 ILE 74 6.581 -3.187 -4.102 583 H ASP 75 H ASP 75 10.141 -6.467 -4.005 584 HA ASP 75 HA ASP 75 10.942 -7.892 -1.697 585 1HB ASP 75 1HB ASP 75 10.250 -8.393 -4.560 586 2HB ASP 75 2HB ASP 75 11.301 -9.579 -3.865 587 H LYS 76 H LYS 76 12.730 -6.531 -4.334 588 HA LYS 76 HA LYS 76 15.097 -8.065 -3.732 589 1HB LYS 76 1HB LYS 76 14.535 -7.066 -5.939 590 2HB LYS 76 2HB LYS 76 14.731 -5.449 -5.312 591 1HG LYS 76 1HG LYS 76 16.821 -6.088 -6.403 592 2HG LYS 76 2HG LYS 76 17.097 -5.966 -4.678 593 1HD LYS 76 1HD LYS 76 16.886 -8.436 -4.438 594 2HD LYS 76 2HD LYS 76 16.505 -8.597 -6.149 595 1HE LYS 76 1HE LYS 76 18.737 -7.727 -6.647 596 2HE LYS 76 2HE LYS 76 19.058 -7.516 -4.925 597 1HZ LYS 76 1HZ LYS 76 18.056 -10.084 -5.278 598 2HZ LYS 76 2HZ LYS 76 19.611 -9.608 -4.801 599 3HZ LYS 76 3HZ LYS 76 19.292 -9.914 -6.451 600 H VAL 77 H VAL 77 13.867 -4.840 -3.152 601 HA VAL 77 HA VAL 77 16.027 -3.869 -1.523 602 HB VAL 77 HB VAL 77 13.015 -3.330 -1.189 603 1HG1 VAL 77 1HG1 VAL 77 13.855 -1.331 0.101 604 2HG1 VAL 77 2HG1 VAL 77 15.500 -1.831 -0.186 605 3HG1 VAL 77 3HG1 VAL 77 14.448 -2.798 0.840 606 1HG2 VAL 77 1HG2 VAL 77 15.300 -1.794 -2.585 607 2HG2 VAL 77 2HG2 VAL 77 13.657 -1.213 -2.534 608 3HG2 VAL 77 3HG2 VAL 77 14.049 -2.639 -3.454 609 H GLU 78 H GLU 78 13.021 -5.610 -0.394 610 HA GLU 78 HA GLU 78 13.800 -6.043 2.197 611 1HB GLU 78 1HB GLU 78 11.879 -7.106 0.434 612 2HB GLU 78 2HB GLU 78 12.642 -8.523 1.065 613 1HG GLU 78 1HG GLU 78 12.321 -7.282 3.425 614 2HG GLU 78 2HG GLU 78 11.254 -6.224 2.525 615 H GLU 79 H GLU 79 14.418 -8.286 -0.451 616 HA GLU 79 HA GLU 79 16.096 -10.102 0.789 617 1HB GLU 79 1HB GLU 79 16.059 -8.916 -2.000 618 2HB GLU 79 2HB GLU 79 17.267 -10.119 -1.621 619 1HG GLU 79 1HG GLU 79 14.247 -10.505 -1.290 620 2HG GLU 79 2HG GLU 79 15.233 -11.291 -2.514 621 H LEU 80 H LEU 80 17.171 -7.144 -0.766 622 HA LEU 80 HA LEU 80 19.865 -7.336 -0.097 623 1HB LEU 80 1HB LEU 80 17.858 -5.155 -0.707 624 2HB LEU 80 2HB LEU 80 19.462 -4.674 -0.236 625 HG LEU 80 HG LEU 80 19.050 -6.790 -2.394 626 1HD1 LEU 80 1HD1 LEU 80 17.779 -4.725 -2.974 627 2HD1 LEU 80 2HD1 LEU 80 19.184 -4.974 -4.021 628 3HD1 LEU 80 3HD1 LEU 80 19.237 -3.765 -2.737 629 1HD2 LEU 80 1HD2 LEU 80 21.319 -5.785 -2.974 630 2HD2 LEU 80 2HD2 LEU 80 21.282 -6.362 -1.319 631 3HD2 LEU 80 3HD2 LEU 80 21.085 -4.665 -1.672 632 H LYS 81 H LYS 81 17.409 -5.390 1.552 633 HA LYS 81 HA LYS 81 18.819 -4.625 3.800 634 1HB LYS 81 1HB LYS 81 16.613 -3.749 3.471 635 2HB LYS 81 2HB LYS 81 15.891 -5.319 3.232 636 1HG LYS 81 1HG LYS 81 15.908 -5.800 5.602 637 2HG LYS 81 2HG LYS 81 16.963 -4.464 5.959 638 1HD LYS 81 1HD LYS 81 14.532 -3.447 4.593 639 2HD LYS 81 2HD LYS 81 14.057 -4.494 5.918 640 1HE LYS 81 1HE LYS 81 15.490 -3.198 7.504 641 2HE LYS 81 2HE LYS 81 15.944 -2.134 6.188 642 1HZ LYS 81 1HZ LYS 81 14.219 -0.904 6.564 643 2HZ LYS 81 2HZ LYS 81 13.647 -1.884 7.816 644 3HZ LYS 81 3HZ LYS 81 13.146 -2.041 6.170 645 H LYS 82 H LYS 82 16.844 -7.603 3.674 646 HA LYS 82 HA LYS 82 17.678 -8.691 6.048 647 1HB LYS 82 1HB LYS 82 16.884 -10.031 3.425 648 2HB LYS 82 2HB LYS 82 16.975 -10.885 4.961 649 1HG LYS 82 1HG LYS 82 15.301 -9.351 5.976 650 2HG LYS 82 2HG LYS 82 15.204 -8.433 4.495 651 1HD LYS 82 1HD LYS 82 14.660 -11.420 4.464 652 2HD LYS 82 2HD LYS 82 13.397 -10.290 4.933 653 1HE LYS 82 1HE LYS 82 13.633 -9.104 2.855 654 2HE LYS 82 2HE LYS 82 14.897 -10.198 2.322 655 1HZ LYS 82 1HZ LYS 82 12.659 -11.732 3.169 656 2HZ LYS 82 2HZ LYS 82 13.400 -11.575 1.602 657 3HZ LYS 82 3HZ LYS 82 12.126 -10.529 2.129 658 H LYS 83 H LYS 83 19.058 -9.230 3.002 659 HA LYS 83 HA LYS 83 21.122 -11.061 3.567 660 1HB LYS 83 1HB LYS 83 20.772 -8.936 1.439 661 2HB LYS 83 2HB LYS 83 22.229 -9.903 1.478 662 1HG LYS 83 1HG LYS 83 21.080 -11.896 1.029 663 2HG LYS 83 2HG LYS 83 19.525 -11.205 1.504 664 1HD LYS 83 1HD LYS 83 19.320 -9.923 -0.454 665 2HD LYS 83 2HD LYS 83 21.023 -9.873 -0.794 666 1HE LYS 83 1HE LYS 83 19.649 -11.357 -2.381 667 2HE LYS 83 2HE LYS 83 21.071 -12.108 -1.671 668 1HZ LYS 83 1HZ LYS 83 18.896 -12.407 0.071 669 2HZ LYS 83 2HZ LYS 83 19.638 -13.685 -0.792 670 3HZ LYS 83 3HZ LYS 83 18.288 -12.828 -1.382 671 H TYR 84 H TYR 84 21.401 -7.635 3.312 672 HA TYR 84 HA TYR 84 24.168 -7.720 4.372 673 1HB TYR 84 1HB TYR 84 22.234 -5.469 3.386 674 2HB TYR 84 2HB TYR 84 23.891 -5.115 3.910 675 HD1 TYR 84 HD1 TYR 84 25.770 -5.684 2.425 676 HD2 TYR 84 HD2 TYR 84 21.853 -7.000 1.387 677 HE1 TYR 84 HE1 TYR 84 26.553 -6.508 0.200 678 HE2 TYR 84 HE2 TYR 84 22.639 -7.773 -0.715 679 HH TYR 84 HH TYR 84 24.298 -8.275 -1.884 680 H GLY 85 H GLY 85 21.589 -5.487 5.327 681 1HA GLY 85 1HA GLY 85 20.192 -6.173 7.358 682 2HA GLY 85 2HA GLY 85 21.757 -6.552 8.108 683 H ILE 86 H ILE 86 19.883 -4.064 6.608 684 HA ILE 86 HA ILE 86 21.714 -1.902 7.270 685 HB ILE 86 HB ILE 86 20.418 -1.770 5.263 686 1HG1 ILE 86 1HG1 ILE 86 19.529 0.182 7.411 687 2HG1 ILE 86 2HG1 ILE 86 20.956 0.372 6.419 688 1HG2 ILE 86 1HG2 ILE 86 17.922 -1.561 5.318 689 2HG2 ILE 86 2HG2 ILE 86 17.957 -1.723 7.067 690 3HG2 ILE 86 3HG2 ILE 86 18.406 -3.081 6.049 691 1HD1 ILE 86 1HD1 ILE 86 19.358 0.686 4.408 692 2HD1 ILE 86 2HD1 ILE 86 19.177 1.880 5.665 693 3HD1 ILE 86 3HD1 ILE 86 18.029 0.571 5.546 694 AH2 COA 1 AH2 COA 1 17.274 1.345 -7.972 695 AH61 COA 1 AH61 COA 1 14.767 3.130 -4.776 696 AH62 COA 1 AH62 COA 1 15.085 4.869 -4.764 697 AH8 COA 1 AH8 COA 1 17.942 7.721 -7.515 698 AH1* COA 1 AH1* COA 1 19.089 4.940 -9.937 699 AH2* COA 1 AH2* COA 1 19.033 7.939 -9.376 700 AHO2 COA 1 AHO2 COA 1 19.344 7.357 -11.836 701 AH3* COA 1 AH3* COA 1 21.270 7.991 -10.316 702 AH4* COA 1 AH4* COA 1 22.198 5.905 -8.922 703 AH51 COA 1 AH51 COA 1 22.192 8.078 -7.907 704 AH52 COA 1 AH52 COA 1 21.442 7.002 -6.732 705 1H12 COA 1 1H12 COA 1 25.905 9.251 -7.522 706 2H12 COA 1 2H12 COA 1 25.443 8.683 -5.939 707 1H13 COA 1 1H13 COA 1 23.830 7.643 -9.033 708 2H13 COA 1 2H13 COA 1 24.662 6.136 -9.306 709 3H13 COA 1 3H13 COA 1 25.477 7.672 -9.621 710 1H14 COA 1 1H14 COA 1 23.993 5.408 -7.019 711 2H14 COA 1 2H14 COA 1 24.486 6.353 -5.607 712 3H14 COA 1 3H14 COA 1 23.318 6.967 -6.701 713 H10 COA 1 H10 COA 1 26.816 6.436 -6.173 714 HO1 COA 1 HO1 COA 1 27.321 7.854 -8.436 715 HN8 COA 1 HN8 COA 1 25.705 4.571 -5.968 716 1H7 COA 1 1H7 COA 1 25.523 2.649 -8.204 717 2H7 COA 1 2H7 COA 1 24.865 2.428 -6.585 718 1H6 COA 1 1H6 COA 1 26.894 0.963 -6.804 719 2H6 COA 1 2H6 COA 1 27.761 2.284 -7.544 720 HN4 COA 1 HN4 COA 1 25.818 2.576 -4.657 721 1H3 COA 1 1H3 COA 1 26.820 2.372 -2.368 722 2H3 COA 1 2H3 COA 1 28.346 2.920 -3.036 723 1H2 COA 1 1H2 COA 1 27.564 4.821 -1.978 724 2H2 COA 1 2H2 COA 1 27.139 5.091 -3.625 725 1H2 PLY 2 1H2 PLY 2 23.627 2.826 -1.636 726 2H2 PLY 2 2H2 PLY 2 22.332 3.635 -2.515 727 1H3 PLY 2 1H3 PLY 2 23.848 1.329 -3.735 728 2H3 PLY 2 2H3 PLY 2 22.505 1.036 -2.662 729 1H4 PLY 2 1H4 PLY 2 22.374 2.828 -5.211 730 2H4 PLY 2 2H4 PLY 2 21.008 2.521 -4.159 731 1H5 PLY 2 1H5 PLY 2 22.431 0.462 -5.797 732 2H5 PLY 2 2H5 PLY 2 21.042 0.216 -4.733 733 1H6 PLY 2 1H6 PLY 2 19.589 1.451 -6.031 734 2H6 PLY 2 2H6 PLY 2 20.797 2.546 -6.620 735 1H7 PLY 2 1H7 PLY 2 19.871 0.909 -8.283 736 2H7 PLY 2 2H7 PLY 2 20.739 -0.331 -7.379 737 1H8 PLY 2 1H8 PLY 2 22.899 0.855 -7.864 738 2H8 PLY 2 2H8 PLY 2 22.024 0.390 -9.307 739 1H9 PLY 2 1H9 PLY 2 22.248 3.146 -8.042 740 2H9 PLY 2 2H9 PLY 2 21.056 2.840 -9.268 741 1HA PLY 2 1HA PLY 2 22.871 3.767 -10.448 742 2HA PLY 2 2HA PLY 2 24.086 3.020 -9.475 743 1HB PLY 2 1HB PLY 2 23.665 2.225 -11.931 744 2HB PLY 2 2HB PLY 2 22.295 1.365 -11.260 745 1HC PLY 2 1HC PLY 2 24.010 0.219 -9.607 746 2HC PLY 2 2HC PLY 2 25.252 0.914 -10.588 747 1HD PLY 2 1HD PLY 2 22.999 -0.701 -11.828 748 2HD PLY 2 2HD PLY 2 24.519 -0.217 -12.553 749 1HE PLY 2 1HE PLY 2 24.638 -1.896 -10.136 750 2HE PLY 2 2HE PLY 2 24.169 -2.599 -11.684 751 1HF PLY 2 1HF PLY 2 26.808 -2.007 -10.758 752 2HF PLY 2 2HF PLY 2 26.518 -0.919 -12.107 753 1HG PLY 2 1HG PLY 2 26.171 -3.949 -12.160 754 2HG PLY 2 2HG PLY 2 25.782 -2.879 -13.499 755 3HG PLY 2 3HG PLY 2 27.445 -3.026 -12.931 Start of MODEL 3 1 1H SER 1 1H SER 1 4.775 6.920 -6.376 2 2H SER 1 2H SER 1 6.299 6.755 -7.039 3 H SER 1 H SER 1 5.206 7.861 -7.726 4 HA SER 1 HA SER 1 4.464 6.230 -9.121 5 1HB SER 1 1HB SER 1 6.256 4.163 -7.716 6 2HB SER 1 2HB SER 1 6.016 4.441 -9.451 7 HG SER 1 HG SER 1 7.793 5.716 -7.794 8 H GLN 2 H GLN 2 5.008 4.814 -6.048 9 HA GLN 2 HA GLN 2 2.311 4.258 -5.231 10 1HB GLN 2 1HB GLN 2 2.705 2.241 -6.604 11 2HB GLN 2 2HB GLN 2 4.288 2.009 -5.881 12 1HG GLN 2 1HG GLN 2 3.170 1.663 -3.595 13 2HG GLN 2 2HG GLN 2 1.611 1.863 -4.386 14 1HE2 GLN 2 1HE2 GLN 2 3.960 -0.463 -3.589 15 2HE2 GLN 2 2HE2 GLN 2 3.285 -1.683 -4.606 16 H ALA 3 H ALA 3 2.842 5.439 -3.445 17 HA ALA 3 HA ALA 3 4.989 6.137 -2.077 18 1HB ALA 3 1HB ALA 3 3.676 5.934 0.036 19 2HB ALA 3 2HB ALA 3 2.534 4.890 -0.794 20 3HB ALA 3 3HB ALA 3 2.718 6.566 -1.288 21 H GLU 4 H GLU 4 4.053 2.790 -1.828 22 HA GLU 4 HA GLU 4 6.093 2.223 0.150 23 1HB GLU 4 1HB GLU 4 3.884 0.736 -1.242 24 2HB GLU 4 2HB GLU 4 5.104 -0.220 -0.488 25 1HG GLU 4 1HG GLU 4 3.282 1.848 0.877 26 2HG GLU 4 2HG GLU 4 3.231 0.116 1.133 27 H PHE 5 H PHE 5 5.977 2.012 -3.151 28 HA PHE 5 HA PHE 5 8.303 0.249 -3.362 29 1HB PHE 5 1HB PHE 5 6.717 0.150 -5.200 30 2HB PHE 5 2HB PHE 5 6.437 1.872 -4.998 31 HD1 PHE 5 HD1 PHE 5 7.779 3.467 -6.175 32 HD2 PHE 5 HD2 PHE 5 8.980 -0.582 -6.112 33 HE1 PHE 5 HE1 PHE 5 9.560 4.008 -7.732 34 HE2 PHE 5 HE2 PHE 5 10.786 -0.070 -7.728 35 HZ PHE 5 HZ PHE 5 11.078 2.226 -8.534 36 H ASP 6 H ASP 6 7.304 3.572 -3.957 37 HA ASP 6 HA ASP 6 9.830 4.659 -4.336 38 1HB ASP 6 1HB ASP 6 7.168 5.650 -3.194 39 2HB ASP 6 2HB ASP 6 8.498 6.723 -3.514 40 H LYS 7 H LYS 7 8.013 4.140 -1.458 41 HA LYS 7 HA LYS 7 9.877 5.122 0.459 42 1HB LYS 7 1HB LYS 7 7.592 4.292 1.127 43 2HB LYS 7 2HB LYS 7 8.089 2.649 0.796 44 1HG LYS 7 1HG LYS 7 10.077 3.228 2.522 45 2HG LYS 7 2HG LYS 7 9.034 4.549 2.942 46 1HD LYS 7 1HD LYS 7 7.279 3.126 3.755 47 2HD LYS 7 2HD LYS 7 7.922 1.708 2.962 48 1HE LYS 7 1HE LYS 7 9.342 3.230 5.218 49 2HE LYS 7 2HE LYS 7 8.441 1.732 5.454 50 1HZ LYS 7 1HZ LYS 7 10.313 0.585 4.740 51 2HZ LYS 7 2HZ LYS 7 11.154 1.968 4.479 52 3HZ LYS 7 3HZ LYS 7 10.118 1.406 3.256 53 H ALA 8 H ALA 8 9.821 2.008 -1.174 54 HA ALA 8 HA ALA 8 11.931 0.763 0.353 55 1HB ALA 8 1HB ALA 8 11.952 -0.856 -1.614 56 2HB ALA 8 2HB ALA 8 11.081 0.331 -2.572 57 3HB ALA 8 3HB ALA 8 10.325 -0.396 -1.175 58 H ALA 9 H ALA 9 11.952 2.932 -2.525 59 HA ALA 9 HA ALA 9 14.648 2.905 -3.197 60 1HB ALA 9 1HB ALA 9 12.824 5.359 -2.960 61 2HB ALA 9 2HB ALA 9 12.860 4.276 -4.328 62 3HB ALA 9 3HB ALA 9 14.246 5.293 -3.945 63 H GLU 10 H GLU 10 13.093 4.878 -0.640 64 HA GLU 10 HA GLU 10 15.399 6.173 0.322 65 1HB GLU 10 1HB GLU 10 12.877 5.192 1.761 66 2HB GLU 10 2HB GLU 10 14.115 6.006 2.683 67 1HG GLU 10 1HG GLU 10 12.713 7.805 2.250 68 2HG GLU 10 2HG GLU 10 13.672 7.918 0.791 69 H GLU 11 H GLU 11 13.923 3.182 1.443 70 HA GLU 11 HA GLU 11 15.873 2.453 3.318 71 1HB GLU 11 1HB GLU 11 14.026 0.709 1.636 72 2HB GLU 11 2HB GLU 11 15.035 0.094 2.941 73 1HG GLU 11 1HG GLU 11 13.817 2.418 4.028 74 2HG GLU 11 2HG GLU 11 12.586 1.597 3.153 75 H VAL 12 H VAL 12 15.833 1.328 -0.158 76 HA VAL 12 HA VAL 12 18.219 -0.211 0.167 77 HB VAL 12 HB VAL 12 16.271 -0.126 -1.592 78 1HG1 VAL 12 1HG1 VAL 12 16.664 2.119 -2.476 79 2HG1 VAL 12 2HG1 VAL 12 16.857 0.909 -3.714 80 3HG1 VAL 12 3HG1 VAL 12 18.273 1.659 -3.011 81 1HG2 VAL 12 1HG2 VAL 12 19.181 -0.676 -2.435 82 2HG2 VAL 12 2HG2 VAL 12 17.763 -1.272 -3.261 83 3HG2 VAL 12 3HG2 VAL 12 18.120 -1.836 -1.646 84 H LYS 13 H LYS 13 17.569 3.151 -0.898 85 HA LYS 13 HA LYS 13 20.177 3.921 -1.564 86 1HB LYS 13 1HB LYS 13 17.659 5.246 -0.462 87 2HB LYS 13 2HB LYS 13 19.088 6.179 -0.668 88 1HG LYS 13 1HG LYS 13 18.240 4.470 -2.981 89 2HG LYS 13 2HG LYS 13 17.202 5.836 -2.610 90 1HD LYS 13 1HD LYS 13 19.262 7.324 -2.572 91 2HD LYS 13 2HD LYS 13 20.238 5.943 -3.029 92 1HE LYS 13 1HE LYS 13 19.044 5.760 -5.127 93 2HE LYS 13 2HE LYS 13 17.937 7.063 -4.651 94 1HZ LYS 13 1HZ LYS 13 19.530 8.604 -5.158 95 2HZ LYS 13 2HZ LYS 13 20.541 7.388 -5.739 96 3HZ LYS 13 3HZ LYS 13 20.611 7.881 -4.161 97 H HIS 14 H HIS 14 18.592 3.456 1.383 98 HA HIS 14 HA HIS 14 20.773 4.577 3.059 99 1HB HIS 14 1HB HIS 14 18.183 3.180 3.794 100 2HB HIS 14 2HB HIS 14 19.396 3.534 5.006 101 HD1 HIS 14 HD1 HIS 14 16.797 5.063 3.108 102 HD2 HIS 14 HD2 HIS 14 19.785 6.355 5.526 103 HE1 HIS 14 HE1 HIS 14 16.251 7.437 3.682 104 H LEU 15 H LEU 15 20.371 1.502 1.632 105 HA LEU 15 HA LEU 15 21.384 -0.185 3.747 106 1HB LEU 15 1HB LEU 15 22.106 -0.329 0.780 107 2HB LEU 15 2HB LEU 15 22.452 -1.600 1.928 108 HG LEU 15 HG LEU 15 19.642 -0.630 1.452 109 1HD1 LEU 15 1HD1 LEU 15 20.689 -1.452 -0.701 110 2HD1 LEU 15 2HD1 LEU 15 19.512 -2.614 -0.121 111 3HD1 LEU 15 3HD1 LEU 15 21.225 -2.910 0.137 112 1HD2 LEU 15 1HD2 LEU 15 20.773 -3.299 2.417 113 2HD2 LEU 15 2HD2 LEU 15 19.074 -2.883 2.248 114 3HD2 LEU 15 3HD2 LEU 15 20.061 -2.069 3.444 115 H LYS 16 H LYS 16 23.614 -0.446 4.542 116 HA LYS 16 HA LYS 16 25.336 1.819 3.626 117 1HB LYS 16 1HB LYS 16 25.475 -0.175 5.899 118 2HB LYS 16 2HB LYS 16 26.775 0.968 5.588 119 1HG LYS 16 1HG LYS 16 25.253 2.892 5.821 120 2HG LYS 16 2HG LYS 16 23.848 1.867 5.894 121 1HD LYS 16 1HD LYS 16 26.014 2.110 8.063 122 2HD LYS 16 2HD LYS 16 24.337 2.638 8.162 123 1HE LYS 16 1HE LYS 16 23.944 0.003 7.498 124 2HE LYS 16 2HE LYS 16 25.494 -0.114 8.302 125 1HZ LYS 16 1HZ LYS 16 22.944 0.202 9.483 126 2HZ LYS 16 2HZ LYS 16 23.815 1.507 9.916 127 3HZ LYS 16 3HZ LYS 16 24.393 -0.083 10.242 128 H THR 17 H THR 17 24.815 -1.102 2.519 129 HA THR 17 HA THR 17 27.633 -1.456 1.537 130 HB THR 17 HB THR 17 25.535 -3.648 1.816 131 HG1 THR 17 HG1 THR 17 26.322 -3.931 3.783 132 1HG2 THR 17 1HG2 THR 17 27.357 -4.082 0.088 133 2HG2 THR 17 2HG2 THR 17 27.563 -5.146 1.471 134 3HG2 THR 17 3HG2 THR 17 28.553 -3.727 1.327 135 H LYS 18 H LYS 18 27.796 -1.462 -0.694 136 HA LYS 18 HA LYS 18 25.393 -1.044 -2.339 137 1HB LYS 18 1HB LYS 18 27.003 -0.037 -3.901 138 2HB LYS 18 2HB LYS 18 27.716 0.340 -2.353 139 1HG LYS 18 1HG LYS 18 29.083 -1.802 -2.565 140 2HG LYS 18 2HG LYS 18 28.518 -1.917 -4.219 141 1HD LYS 18 1HD LYS 18 29.494 0.383 -4.666 142 2HD LYS 18 2HD LYS 18 30.158 0.382 -3.051 143 1HE LYS 18 1HE LYS 18 30.864 -1.584 -5.279 144 2HE LYS 18 2HE LYS 18 31.907 -0.331 -4.636 145 1HZ LYS 18 1HZ LYS 18 32.543 -1.725 -2.977 146 2HZ LYS 18 2HZ LYS 18 31.623 -2.947 -3.690 147 3HZ LYS 18 3HZ LYS 18 30.926 -1.948 -2.496 148 HA PRO 19 HA PRO 19 25.913 -5.618 -2.302 149 1HB PRO 19 1HB PRO 19 23.585 -5.250 -4.222 150 2HB PRO 19 2HB PRO 19 23.769 -6.479 -2.989 151 1HG PRO 19 1HG PRO 19 22.254 -4.375 -2.323 152 2HG PRO 19 2HG PRO 19 23.587 -4.652 -1.189 153 1HD PRO 19 1HD PRO 19 23.632 -2.821 -3.613 154 2HD PRO 19 2HD PRO 19 23.907 -2.376 -1.920 155 H ALA 20 H ALA 20 25.836 -7.350 -4.215 156 HA ALA 20 HA ALA 20 28.065 -6.554 -5.972 157 1HB ALA 20 1HB ALA 20 26.343 -9.104 -5.976 158 2HB ALA 20 2HB ALA 20 27.844 -8.894 -5.091 159 3HB ALA 20 3HB ALA 20 27.859 -8.894 -6.841 160 H ASP 21 H ASP 21 27.975 -6.415 -8.398 161 HA ASP 21 HA ASP 21 25.923 -4.861 -9.371 162 1HB ASP 21 1HB ASP 21 27.434 -7.021 -11.070 163 2HB ASP 21 2HB ASP 21 26.666 -5.548 -11.685 164 H GLU 22 H GLU 22 25.813 -8.484 -9.878 165 HA GLU 22 HA GLU 22 23.343 -8.460 -11.050 166 1HB GLU 22 1HB GLU 22 24.482 -10.373 -8.908 167 2HB GLU 22 2HB GLU 22 22.999 -10.773 -9.732 168 1HG GLU 22 1HG GLU 22 24.530 -11.971 -11.049 169 2HG GLU 22 2HG GLU 22 24.567 -10.472 -11.939 170 H GLU 23 H GLU 23 23.519 -8.650 -7.442 171 HA GLU 23 HA GLU 23 20.633 -8.319 -7.251 172 1HB GLU 23 1HB GLU 23 22.819 -7.854 -5.119 173 2HB GLU 23 2HB GLU 23 21.148 -7.496 -4.803 174 1HG GLU 23 1HG GLU 23 20.679 -9.995 -5.614 175 2HG GLU 23 2HG GLU 23 22.404 -10.222 -5.415 176 H MET 24 H MET 24 23.320 -5.905 -7.429 177 HA MET 24 HA MET 24 21.778 -3.589 -6.817 178 1HB MET 24 1HB MET 24 24.239 -4.252 -8.482 179 2HB MET 24 2HB MET 24 23.654 -2.623 -8.419 180 1HG MET 24 1HG MET 24 24.172 -4.195 -5.924 181 2HG MET 24 2HG MET 24 25.482 -3.398 -6.721 182 1HE MET 24 1HE MET 24 25.909 -1.342 -7.024 183 2HE MET 24 2HE MET 24 25.820 -0.295 -5.638 184 3HE MET 24 3HE MET 24 24.752 -0.012 -7.014 185 H LEU 25 H LEU 25 22.637 -4.996 -9.900 186 HA LEU 25 HA LEU 25 21.261 -3.736 -11.836 187 1HB LEU 25 1HB LEU 25 22.123 -6.565 -11.268 188 2HB LEU 25 2HB LEU 25 21.352 -6.308 -12.758 189 HG LEU 25 HG LEU 25 23.969 -5.206 -11.724 190 1HD1 LEU 25 1HD1 LEU 25 23.258 -6.885 -14.142 191 2HD1 LEU 25 2HD1 LEU 25 23.995 -7.459 -12.667 192 3HD1 LEU 25 3HD1 LEU 25 24.870 -6.349 -13.692 193 1HD2 LEU 25 1HD2 LEU 25 24.208 -4.029 -13.880 194 2HD2 LEU 25 2HD2 LEU 25 22.839 -3.363 -13.031 195 3HD2 LEU 25 3HD2 LEU 25 22.585 -4.510 -14.357 196 H PHE 26 H PHE 26 20.027 -6.399 -9.886 197 HA PHE 26 HA PHE 26 17.418 -6.369 -11.135 198 1HB PHE 26 1HB PHE 26 18.338 -8.215 -9.747 199 2HB PHE 26 2HB PHE 26 18.197 -7.214 -8.304 200 HD1 PHE 26 HD1 PHE 26 15.902 -6.265 -7.715 201 HD2 PHE 26 HD2 PHE 26 16.410 -9.355 -10.615 202 HE1 PHE 26 HE1 PHE 26 13.564 -6.872 -7.481 203 HE2 PHE 26 HE2 PHE 26 14.033 -9.970 -10.343 204 HZ PHE 26 HZ PHE 26 12.621 -8.701 -8.733 205 H ILE 27 H ILE 27 18.522 -4.888 -7.992 206 HA ILE 27 HA ILE 27 16.093 -3.434 -7.609 207 HB ILE 27 HB ILE 27 18.970 -3.148 -6.748 208 1HG1 ILE 27 1HG1 ILE 27 17.411 -4.669 -5.542 209 2HG1 ILE 27 2HG1 ILE 27 17.970 -3.358 -4.516 210 1HG2 ILE 27 1HG2 ILE 27 18.352 -0.784 -7.140 211 2HG2 ILE 27 2HG2 ILE 27 18.576 -1.123 -5.434 212 3HG2 ILE 27 3HG2 ILE 27 16.983 -0.944 -6.063 213 1HD1 ILE 27 1HD1 ILE 27 15.579 -3.794 -4.204 214 2HD1 ILE 27 2HD1 ILE 27 15.194 -3.432 -5.856 215 3HD1 ILE 27 3HD1 ILE 27 15.824 -2.174 -4.807 216 H TYR 28 H TYR 28 18.984 -2.329 -9.391 217 HA TYR 28 HA TYR 28 18.087 0.209 -10.267 218 1HB TYR 28 1HB TYR 28 20.376 -0.703 -10.844 219 2HB TYR 28 2HB TYR 28 19.657 -1.849 -11.930 220 HD1 TYR 28 HD1 TYR 28 20.553 1.712 -11.519 221 HD2 TYR 28 HD2 TYR 28 18.706 -1.124 -14.095 222 HE1 TYR 28 HE1 TYR 28 20.656 3.258 -13.355 223 HE2 TYR 28 HE2 TYR 28 18.800 0.469 -15.919 224 HH TYR 28 HH TYR 28 19.544 2.461 -16.624 225 H SER 29 H SER 29 17.775 -2.798 -12.122 226 HA SER 29 HA SER 29 16.052 -1.924 -14.170 227 1HB SER 29 1HB SER 29 15.466 -4.374 -14.432 228 2HB SER 29 2HB SER 29 17.190 -4.210 -14.073 229 HG SER 29 HG SER 29 16.784 -4.568 -11.930 230 H HIS 30 H HIS 30 15.124 -3.530 -11.224 231 HA HIS 30 HA HIS 30 12.315 -3.255 -11.564 232 1HB HIS 30 1HB HIS 30 14.203 -3.735 -9.226 233 2HB HIS 30 2HB HIS 30 12.469 -3.611 -8.964 234 HD1 HIS 30 HD1 HIS 30 14.736 -5.375 -11.445 235 HD2 HIS 30 HD2 HIS 30 11.142 -5.782 -9.589 236 HE1 HIS 30 HE1 HIS 30 13.802 -7.559 -12.193 237 H TYR 31 H TYR 31 14.482 -1.037 -9.700 238 HA TYR 31 HA TYR 31 12.580 0.827 -8.994 239 1HB TYR 31 1HB TYR 31 14.859 0.811 -8.163 240 2HB TYR 31 2HB TYR 31 15.504 1.105 -9.746 241 HD1 TYR 31 HD1 TYR 31 16.108 3.247 -10.157 242 HD2 TYR 31 HD2 TYR 31 12.907 2.539 -7.448 243 HE1 TYR 31 HE1 TYR 31 15.820 5.694 -9.822 244 HE2 TYR 31 HE2 TYR 31 12.644 4.966 -7.099 245 HH TYR 31 HH TYR 31 14.932 7.177 -8.214 246 H LYS 32 H LYS 32 14.762 0.916 -11.766 247 HA LYS 32 HA LYS 32 13.755 3.152 -13.150 248 1HB LYS 32 1HB LYS 32 14.836 0.469 -14.183 249 2HB LYS 32 2HB LYS 32 14.613 1.878 -15.194 250 1HG LYS 32 1HG LYS 32 16.297 2.103 -12.682 251 2HG LYS 32 2HG LYS 32 16.976 1.479 -14.164 252 1HD LYS 32 1HD LYS 32 16.614 3.525 -15.367 253 2HD LYS 32 2HD LYS 32 15.303 3.994 -14.351 254 1HE LYS 32 1HE LYS 32 16.713 5.479 -13.578 255 2HE LYS 32 2HE LYS 32 17.221 4.173 -12.515 256 1HZ LYS 32 1HZ LYS 32 19.274 4.487 -13.302 257 2HZ LYS 32 2HZ LYS 32 18.747 5.555 -14.437 258 3HZ LYS 32 3HZ LYS 32 18.820 3.926 -14.830 259 H GLN 33 H GLN 33 12.798 -0.211 -13.489 260 HA GLN 33 HA GLN 33 10.619 -0.002 -15.245 261 1HB GLN 33 1HB GLN 33 11.176 -1.860 -12.922 262 2HB GLN 33 2HB GLN 33 9.663 -1.956 -13.792 263 1HG GLN 33 1HG GLN 33 12.348 -2.415 -15.048 264 2HG GLN 33 2HG GLN 33 11.199 -3.620 -14.523 265 1HE2 GLN 33 1HE2 GLN 33 12.044 -2.231 -17.482 266 2HE2 GLN 33 2HE2 GLN 33 10.458 -2.312 -18.081 267 H ALA 34 H ALA 34 10.179 -0.338 -11.779 268 HA ALA 34 HA ALA 34 7.455 0.286 -11.660 269 1HB ALA 34 1HB ALA 34 8.612 -0.881 -9.912 270 2HB ALA 34 2HB ALA 34 8.025 0.612 -9.203 271 3HB ALA 34 3HB ALA 34 9.709 0.476 -9.715 272 H THR 35 H THR 35 9.980 2.584 -12.126 273 HA THR 35 HA THR 35 8.236 4.836 -11.205 274 HB THR 35 HB THR 35 10.318 6.264 -11.530 275 HG1 THR 35 HG1 THR 35 11.615 3.800 -11.782 276 1HG2 THR 35 1HG2 THR 35 11.686 5.289 -9.759 277 2HG2 THR 35 2HG2 THR 35 10.905 3.723 -9.937 278 3HG2 THR 35 3HG2 THR 35 10.004 5.105 -9.318 279 H VAL 36 H VAL 36 10.215 3.902 -14.016 280 HA VAL 36 HA VAL 36 8.743 5.922 -15.655 281 HB VAL 36 HB VAL 36 11.337 4.314 -16.395 282 1HG1 VAL 36 1HG1 VAL 36 9.949 4.929 -18.385 283 2HG1 VAL 36 2HG1 VAL 36 11.432 5.847 -18.306 284 3HG1 VAL 36 3HG1 VAL 36 9.914 6.602 -17.852 285 1HG2 VAL 36 1HG2 VAL 36 11.674 5.907 -14.566 286 2HG2 VAL 36 2HG2 VAL 36 10.964 7.192 -15.529 287 3HG2 VAL 36 3HG2 VAL 36 12.451 6.418 -16.059 288 H GLY 37 H GLY 37 9.660 2.629 -15.812 289 1HA GLY 37 1HA GLY 37 8.062 0.808 -16.418 290 2HA GLY 37 2HA GLY 37 7.416 1.885 -17.680 291 H ASP 38 H ASP 38 8.549 2.041 -19.618 292 HA ASP 38 HA ASP 38 10.625 0.116 -20.172 293 1HB ASP 38 1HB ASP 38 8.854 1.978 -21.671 294 2HB ASP 38 2HB ASP 38 10.379 1.650 -22.435 295 H ILE 39 H ILE 39 12.403 0.617 -21.418 296 HA ILE 39 HA ILE 39 14.025 2.920 -20.366 297 HB ILE 39 HB ILE 39 14.627 0.470 -20.140 298 1HG1 ILE 39 1HG1 ILE 39 16.707 1.845 -21.878 299 2HG1 ILE 39 2HG1 ILE 39 16.351 2.358 -20.236 300 1HG2 ILE 39 1HG2 ILE 39 13.717 -0.310 -22.322 301 2HG2 ILE 39 2HG2 ILE 39 15.402 -0.712 -22.234 302 3HG2 ILE 39 3HG2 ILE 39 14.901 0.649 -23.198 303 1HD1 ILE 39 1HD1 ILE 39 17.152 -0.490 -21.103 304 2HD1 ILE 39 2HD1 ILE 39 16.763 -0.037 -19.461 305 3HD1 ILE 39 3HD1 ILE 39 18.184 0.616 -20.228 306 H ASN 40 H ASN 40 14.506 4.608 -21.620 307 HA ASN 40 HA ASN 40 14.092 4.469 -24.550 308 1HB ASN 40 1HB ASN 40 12.904 6.678 -24.283 309 2HB ASN 40 2HB ASN 40 12.072 5.356 -23.457 310 1HD2 ASN 40 1HD2 ASN 40 12.756 8.502 -22.920 311 2HD2 ASN 40 2HD2 ASN 40 13.011 8.394 -21.235 312 H THR 41 H THR 41 16.470 4.628 -22.653 313 HA THR 41 HA THR 41 17.794 7.001 -23.943 314 HB THR 41 HB THR 41 19.145 7.332 -22.056 315 HG1 THR 41 HG1 THR 41 19.424 4.896 -21.837 316 1HG2 THR 41 1HG2 THR 41 16.645 7.720 -21.331 317 2HG2 THR 41 2HG2 THR 41 17.654 7.236 -19.980 318 3HG2 THR 41 3HG2 THR 41 16.600 6.062 -20.742 319 H GLU 42 H GLU 42 19.164 6.409 -25.347 320 HA GLU 42 HA GLU 42 19.724 3.939 -26.353 321 1HB GLU 42 1HB GLU 42 21.277 6.514 -26.336 322 2HB GLU 42 2HB GLU 42 22.053 5.104 -27.030 323 1HG GLU 42 1HG GLU 42 20.085 4.697 -28.475 324 2HG GLU 42 2HG GLU 42 19.259 6.120 -27.841 325 H ARG 43 H ARG 43 20.898 2.237 -26.116 326 HA ARG 43 HA ARG 43 21.976 1.450 -23.625 327 1HB ARG 43 1HB ARG 43 21.190 -0.058 -25.404 328 2HB ARG 43 2HB ARG 43 22.614 0.290 -26.367 329 1HG ARG 43 1HG ARG 43 24.062 -0.687 -24.567 330 2HG ARG 43 2HG ARG 43 22.655 -0.901 -23.545 331 1HD ARG 43 1HD ARG 43 21.612 -2.403 -25.216 332 2HD ARG 43 2HD ARG 43 23.021 -2.288 -26.242 333 HE ARG 43 HE ARG 43 23.006 -3.526 -23.455 334 1HH1 ARG 43 1HH1 ARG 43 25.103 -2.646 -25.624 335 2HH1 ARG 43 2HH1 ARG 43 25.893 -4.192 -25.916 336 1HH2 ARG 43 1HH2 ARG 43 23.420 -5.626 -23.924 337 2HH2 ARG 43 2HH2 ARG 43 24.891 -6.013 -24.762 338 HA PRO 44 HA PRO 44 25.711 4.028 -23.500 339 1HB PRO 44 1HB PRO 44 26.290 1.960 -21.326 340 2HB PRO 44 2HB PRO 44 26.602 3.695 -21.330 341 1HG PRO 44 1HG PRO 44 24.375 2.885 -20.136 342 2HG PRO 44 2HG PRO 44 24.244 4.239 -21.262 343 1HD PRO 44 1HD PRO 44 23.558 1.293 -21.809 344 2HD PRO 44 2HD PRO 44 22.644 2.770 -22.197 345 H GLY 45 H GLY 45 28.079 3.967 -23.358 346 1HA GLY 45 1HA GLY 45 29.332 1.737 -24.936 347 2HA GLY 45 2HA GLY 45 29.658 3.415 -25.301 348 H MET 46 H MET 46 30.547 4.636 -23.224 349 HA MET 46 HA MET 46 33.101 3.794 -22.657 350 1HB MET 46 1HB MET 46 31.160 5.555 -21.125 351 2HB MET 46 2HB MET 46 32.744 5.232 -20.432 352 1HG MET 46 1HG MET 46 32.763 7.270 -21.813 353 2HG MET 46 2HG MET 46 33.862 6.046 -22.363 354 1HE MET 46 1HE MET 46 30.902 8.430 -24.379 355 2HE MET 46 2HE MET 46 30.872 7.993 -22.684 356 3HE MET 46 3HE MET 46 29.864 7.100 -23.818 357 H LEU 47 H LEU 47 30.725 3.418 -20.008 358 HA LEU 47 HA LEU 47 32.449 1.131 -19.071 359 1HB LEU 47 1HB LEU 47 30.302 2.559 -17.440 360 2HB LEU 47 2HB LEU 47 31.614 1.577 -16.828 361 HG LEU 47 HG LEU 47 31.857 4.302 -18.128 362 1HD1 LEU 47 1HD1 LEU 47 31.119 4.354 -15.792 363 2HD1 LEU 47 2HD1 LEU 47 32.747 4.966 -15.943 364 3HD1 LEU 47 3HD1 LEU 47 32.481 3.350 -15.315 365 1HD2 LEU 47 1HD2 LEU 47 33.818 2.922 -18.800 366 2HD2 LEU 47 2HD2 LEU 47 34.077 2.481 -17.116 367 3HD2 LEU 47 3HD2 LEU 47 34.287 4.143 -17.648 368 H ASP 48 H ASP 48 31.484 -0.797 -18.365 369 HA ASP 48 HA ASP 48 28.853 -1.305 -19.648 370 1HB ASP 48 1HB ASP 48 30.909 -2.383 -20.718 371 2HB ASP 48 2HB ASP 48 31.204 -3.289 -19.259 372 H PHE 49 H PHE 49 30.723 -3.066 -17.270 373 HA PHE 49 HA PHE 49 28.777 -4.347 -15.854 374 1HB PHE 49 1HB PHE 49 30.293 -4.334 -13.935 375 2HB PHE 49 2HB PHE 49 31.345 -4.214 -15.326 376 HD1 PHE 49 HD1 PHE 49 30.452 -2.825 -12.259 377 HD2 PHE 49 HD2 PHE 49 32.020 -1.694 -16.041 378 HE1 PHE 49 HE1 PHE 49 31.295 -0.770 -11.274 379 HE2 PHE 49 HE2 PHE 49 32.889 0.394 -15.063 380 HZ PHE 49 HZ PHE 49 32.540 0.859 -12.662 381 H LYS 50 H LYS 50 29.681 -1.130 -15.309 382 HA LYS 50 HA LYS 50 27.232 -0.583 -13.777 383 1HB LYS 50 1HB LYS 50 29.539 -0.001 -12.967 384 2HB LYS 50 2HB LYS 50 29.576 1.284 -14.158 385 1HG LYS 50 1HG LYS 50 27.084 1.357 -12.588 386 2HG LYS 50 2HG LYS 50 28.437 1.209 -11.498 387 1HD LYS 50 1HD LYS 50 29.466 3.222 -12.283 388 2HD LYS 50 2HD LYS 50 28.459 3.288 -13.716 389 1HE LYS 50 1HE LYS 50 27.345 3.568 -10.887 390 2HE LYS 50 2HE LYS 50 27.759 4.922 -11.920 391 1HZ LYS 50 1HZ LYS 50 25.707 4.703 -12.890 392 2HZ LYS 50 2HZ LYS 50 25.302 3.414 -12.074 393 3HZ LYS 50 3HZ LYS 50 26.155 3.141 -13.461 394 H GLY 51 H GLY 51 27.995 -0.027 -16.981 395 1HA GLY 51 1HA GLY 51 26.207 2.342 -17.170 396 2HA GLY 51 2HA GLY 51 27.359 1.798 -18.386 397 H LYS 52 H LYS 52 26.936 -0.573 -19.108 398 HA LYS 52 HA LYS 52 24.253 -0.691 -20.265 399 1HB LYS 52 1HB LYS 52 26.574 -2.509 -20.407 400 2HB LYS 52 2HB LYS 52 25.151 -2.652 -21.454 401 1HG LYS 52 1HG LYS 52 25.834 -0.852 -22.794 402 2HG LYS 52 2HG LYS 52 26.577 -0.014 -21.454 403 1HD LYS 52 1HD LYS 52 28.326 -0.829 -22.913 404 2HD LYS 52 2HD LYS 52 28.358 -1.673 -21.395 405 1HE LYS 52 1HE LYS 52 27.034 -2.856 -23.889 406 2HE LYS 52 2HE LYS 52 28.724 -3.105 -23.520 407 1HZ LYS 52 1HZ LYS 52 27.298 -3.826 -21.196 408 2HZ LYS 52 2HZ LYS 52 28.220 -4.747 -22.181 409 3HZ LYS 52 3HZ LYS 52 26.539 -4.619 -22.496 410 H ALA 53 H ALA 53 26.009 -2.807 -18.114 411 HA ALA 53 HA ALA 53 24.285 -5.052 -18.130 412 1HB ALA 53 1HB ALA 53 25.620 -3.810 -15.565 413 2HB ALA 53 2HB ALA 53 26.464 -4.872 -16.673 414 3HB ALA 53 3HB ALA 53 25.152 -5.475 -15.688 415 H LYS 54 H LYS 54 24.164 -2.261 -16.171 416 HA LYS 54 HA LYS 54 21.627 -2.695 -14.868 417 1HB LYS 54 1HB LYS 54 22.255 -0.680 -13.829 418 2HB LYS 54 2HB LYS 54 23.799 -1.133 -14.501 419 1HG LYS 54 1HG LYS 54 22.995 0.132 -16.641 420 2HG LYS 54 2HG LYS 54 21.760 0.809 -15.594 421 1HD LYS 54 1HD LYS 54 23.957 1.263 -14.099 422 2HD LYS 54 2HD LYS 54 24.660 1.190 -15.705 423 1HE LYS 54 1HE LYS 54 22.409 3.017 -14.881 424 2HE LYS 54 2HE LYS 54 24.076 3.510 -15.174 425 1HZ LYS 54 1HZ LYS 54 23.225 2.056 -17.376 426 2HZ LYS 54 2HZ LYS 54 23.611 3.682 -17.325 427 3HZ LYS 54 3HZ LYS 54 21.981 3.203 -17.036 428 H TRP 55 H TRP 55 22.400 -1.407 -18.176 429 HA TRP 55 HA TRP 55 19.863 -0.147 -18.579 430 1HB TRP 55 1HB TRP 55 22.233 0.242 -19.669 431 2HB TRP 55 2HB TRP 55 21.951 -1.206 -20.604 432 HD1 TRP 55 HD1 TRP 55 20.680 2.354 -20.092 433 HE1 TRP 55 HE1 TRP 55 19.193 2.812 -22.096 434 HE3 TRP 55 HE3 TRP 55 20.498 -2.210 -22.354 435 HZ2 TRP 55 HZ2 TRP 55 18.041 1.602 -24.316 436 HZ3 TRP 55 HZ3 TRP 55 19.174 -2.529 -24.413 437 HH2 TRP 55 HH2 TRP 55 17.935 -0.634 -25.407 438 H ASP 56 H ASP 56 21.558 -3.001 -20.141 439 HA ASP 56 HA ASP 56 19.671 -4.425 -21.159 440 1HB ASP 56 1HB ASP 56 22.188 -4.740 -19.517 441 2HB ASP 56 2HB ASP 56 21.681 -6.200 -20.175 442 H ALA 57 H ALA 57 20.568 -4.802 -17.738 443 HA ALA 57 HA ALA 57 18.624 -6.481 -16.854 444 1HB ALA 57 1HB ALA 57 20.547 -5.593 -15.572 445 2HB ALA 57 2HB ALA 57 19.073 -5.393 -14.626 446 3HB ALA 57 3HB ALA 57 19.772 -4.010 -15.465 447 H TRP 58 H TRP 58 18.048 -3.099 -17.532 448 HA TRP 58 HA TRP 58 15.260 -3.180 -16.505 449 1HB TRP 58 1HB TRP 58 16.618 -1.189 -15.879 450 2HB TRP 58 2HB TRP 58 16.985 -0.891 -17.556 451 HD1 TRP 58 HD1 TRP 58 13.475 -1.987 -16.494 452 HE1 TRP 58 HE1 TRP 58 11.912 0.022 -16.952 453 HE3 TRP 58 HE3 TRP 58 16.823 1.490 -17.602 454 HZ2 TRP 58 HZ2 TRP 58 12.062 2.750 -17.654 455 HZ3 TRP 58 HZ3 TRP 58 16.133 3.849 -18.184 456 HH2 TRP 58 HH2 TRP 58 13.786 4.458 -18.203 457 H ASN 59 H ASN 59 17.025 -3.250 -19.341 458 HA ASN 59 HA ASN 59 14.903 -2.570 -21.268 459 1HB ASN 59 1HB ASN 59 17.421 -2.483 -21.931 460 2HB ASN 59 2HB ASN 59 17.441 -4.241 -21.795 461 1HD2 ASN 59 1HD2 ASN 59 16.636 -5.422 -23.415 462 2HD2 ASN 59 2HD2 ASN 59 15.872 -4.791 -24.806 463 H GLU 60 H GLU 60 16.327 -5.541 -19.845 464 HA GLU 60 HA GLU 60 14.740 -7.409 -21.245 465 1HB GLU 60 1HB GLU 60 16.208 -7.382 -18.609 466 2HB GLU 60 2HB GLU 60 15.094 -8.710 -18.898 467 1HG GLU 60 1HG GLU 60 17.327 -9.412 -19.639 468 2HG GLU 60 2HG GLU 60 16.334 -9.206 -21.060 469 H LEU 61 H LEU 61 13.812 -5.115 -18.982 470 HA LEU 61 HA LEU 61 11.281 -6.564 -18.356 471 1HB LEU 61 1HB LEU 61 12.495 -4.116 -17.010 472 2HB LEU 61 2HB LEU 61 11.127 -5.066 -16.427 473 HG LEU 61 HG LEU 61 14.091 -5.811 -16.507 474 1HD1 LEU 61 1HD1 LEU 61 13.287 -4.443 -14.595 475 2HD1 LEU 61 2HD1 LEU 61 13.746 -6.047 -14.073 476 3HD1 LEU 61 3HD1 LEU 61 12.048 -5.647 -14.261 477 1HD2 LEU 61 1HD2 LEU 61 11.765 -7.630 -15.757 478 2HD2 LEU 61 2HD2 LEU 61 13.482 -7.992 -15.600 479 3HD2 LEU 61 3HD2 LEU 61 12.769 -7.804 -17.189 480 H LYS 62 H LYS 62 12.421 -4.535 -20.695 481 HA LYS 62 HA LYS 62 10.534 -2.404 -20.670 482 1HB LYS 62 1HB LYS 62 12.813 -2.687 -21.991 483 2HB LYS 62 2HB LYS 62 11.971 -3.799 -23.048 484 1HG LYS 62 1HG LYS 62 10.306 -1.975 -23.503 485 2HG LYS 62 2HG LYS 62 11.290 -0.895 -22.538 486 1HD LYS 62 1HD LYS 62 13.139 -0.934 -24.173 487 2HD LYS 62 2HD LYS 62 12.423 -2.270 -25.029 488 1HE LYS 62 1HE LYS 62 11.849 -0.340 -26.312 489 2HE LYS 62 2HE LYS 62 10.385 -0.781 -25.453 490 1HZ LYS 62 1HZ LYS 62 11.547 1.743 -25.343 491 2HZ LYS 62 2HZ LYS 62 12.018 1.062 -23.905 492 3HZ LYS 62 3HZ LYS 62 10.351 1.031 -24.317 493 H GLY 63 H GLY 63 8.424 -2.715 -20.937 494 1HA GLY 63 1HA GLY 63 6.509 -3.745 -22.192 495 2HA GLY 63 2HA GLY 63 7.407 -5.259 -22.222 496 H THR 64 H THR 64 8.064 -4.504 -19.218 497 HA THR 64 HA THR 64 5.821 -6.091 -18.141 498 HB THR 64 HB THR 64 8.525 -5.219 -17.077 499 HG1 THR 64 HG1 THR 64 7.434 -7.622 -16.441 500 1HG2 THR 64 1HG2 THR 64 6.926 -4.826 -15.054 501 2HG2 THR 64 2HG2 THR 64 8.008 -6.174 -14.839 502 3HG2 THR 64 3HG2 THR 64 6.335 -6.465 -15.267 503 H SER 65 H SER 65 4.785 -5.506 -16.128 504 HA SER 65 HA SER 65 3.737 -2.741 -16.281 505 1HB SER 65 1HB SER 65 2.850 -5.145 -14.602 506 2HB SER 65 2HB SER 65 1.923 -3.642 -14.802 507 HG SER 65 HG SER 65 2.950 -4.717 -17.149 508 H LYS 66 H LYS 66 4.162 -1.097 -14.844 509 HA LYS 66 HA LYS 66 6.346 -0.971 -13.213 510 1HB LYS 66 1HB LYS 66 3.649 0.399 -12.720 511 2HB LYS 66 2HB LYS 66 5.190 0.957 -12.128 512 1HG LYS 66 1HG LYS 66 5.942 1.724 -14.113 513 2HG LYS 66 2HG LYS 66 5.096 0.575 -15.107 514 1HD LYS 66 1HD LYS 66 3.924 3.007 -13.665 515 2HD LYS 66 2HD LYS 66 4.160 2.840 -15.398 516 1HE LYS 66 1HE LYS 66 2.456 0.831 -15.237 517 2HE LYS 66 2HE LYS 66 2.129 1.418 -13.619 518 1HZ LYS 66 1HZ LYS 66 0.819 2.992 -14.444 519 2HZ LYS 66 2HZ LYS 66 1.127 2.444 -16.034 520 3HZ LYS 66 3HZ LYS 66 2.105 3.633 -15.319 521 H GLU 67 H GLU 67 3.154 -1.568 -12.161 522 HA GLU 67 HA GLU 67 3.272 -2.099 -9.552 523 1HB GLU 67 1HB GLU 67 1.867 -3.462 -11.884 524 2HB GLU 67 2HB GLU 67 1.395 -3.754 -10.253 525 1HG GLU 67 1HG GLU 67 -0.076 -1.955 -11.322 526 2HG GLU 67 2HG GLU 67 0.815 -1.240 -10.005 527 H ASP 68 H ASP 68 4.158 -4.564 -11.977 528 HA ASP 68 HA ASP 68 4.816 -6.596 -10.112 529 1HB ASP 68 1HB ASP 68 5.523 -5.970 -12.989 530 2HB ASP 68 2HB ASP 68 5.949 -7.445 -12.231 531 H ALA 69 H ALA 69 6.457 -4.141 -11.627 532 HA ALA 69 HA ALA 69 9.191 -4.873 -10.818 533 1HB ALA 69 1HB ALA 69 8.701 -3.385 -12.748 534 2HB ALA 69 2HB ALA 69 9.786 -2.598 -11.588 535 3HB ALA 69 3HB ALA 69 8.089 -2.139 -11.681 536 H MET 70 H MET 70 6.535 -2.908 -9.614 537 HA MET 70 HA MET 70 8.045 -1.910 -7.340 538 1HB MET 70 1HB MET 70 4.958 -2.330 -7.719 539 2HB MET 70 2HB MET 70 5.585 -1.579 -6.282 540 1HG MET 70 1HG MET 70 6.542 0.240 -7.630 541 2HG MET 70 2HG MET 70 5.995 -0.533 -9.094 542 1HE MET 70 1HE MET 70 4.144 2.657 -9.094 543 2HE MET 70 2HE MET 70 3.739 1.310 -10.171 544 3HE MET 70 3HE MET 70 5.421 1.638 -9.717 545 H LYS 71 H LYS 71 5.726 -4.603 -7.593 546 HA LYS 71 HA LYS 71 6.185 -5.662 -5.072 547 1HB LYS 71 1HB LYS 71 5.915 -7.194 -7.721 548 2HB LYS 71 2HB LYS 71 6.002 -8.008 -6.171 549 1HG LYS 71 1HG LYS 71 3.925 -6.818 -5.454 550 2HG LYS 71 2HG LYS 71 3.803 -6.105 -7.069 551 1HD LYS 71 1HD LYS 71 3.722 -8.312 -8.126 552 2HD LYS 71 2HD LYS 71 4.013 -9.130 -6.599 553 1HE LYS 71 1HE LYS 71 1.827 -8.211 -5.747 554 2HE LYS 71 2HE LYS 71 1.533 -7.530 -7.346 555 1HZ LYS 71 1HZ LYS 71 0.784 -9.545 -8.029 556 2HZ LYS 71 2HZ LYS 71 1.071 -10.185 -6.471 557 3HZ LYS 71 3HZ LYS 71 2.275 -10.234 -7.654 558 H ALA 72 H ALA 72 7.919 -6.907 -7.951 559 HA ALA 72 HA ALA 72 9.912 -8.222 -6.570 560 1HB ALA 72 1HB ALA 72 9.217 -8.535 -8.859 561 2HB ALA 72 2HB ALA 72 10.876 -8.040 -8.981 562 3HB ALA 72 3HB ALA 72 9.586 -6.903 -9.311 563 H TYR 73 H TYR 73 9.953 -4.724 -7.410 564 HA TYR 73 HA TYR 73 12.703 -4.320 -6.744 565 1HB TYR 73 1HB TYR 73 11.248 -2.556 -7.890 566 2HB TYR 73 2HB TYR 73 10.302 -2.460 -6.442 567 HD1 TYR 73 HD1 TYR 73 10.917 -0.808 -4.788 568 HD2 TYR 73 HD2 TYR 73 13.819 -2.098 -7.624 569 HE1 TYR 73 HE1 TYR 73 12.489 0.914 -4.006 570 HE2 TYR 73 HE2 TYR 73 15.337 -0.420 -6.811 571 HH TYR 73 HH TYR 73 15.426 1.674 -5.597 572 H ILE 74 H ILE 74 9.792 -3.747 -4.913 573 HA ILE 74 HA ILE 74 11.048 -3.188 -2.429 574 HB ILE 74 HB ILE 74 8.283 -4.364 -2.943 575 1HG1 ILE 74 1HG1 ILE 74 9.029 -1.465 -2.532 576 2HG1 ILE 74 2HG1 ILE 74 8.932 -2.151 -4.149 577 1HG2 ILE 74 1HG2 ILE 74 7.817 -3.270 -0.678 578 2HG2 ILE 74 2HG2 ILE 74 9.459 -2.661 -0.593 579 3HG2 ILE 74 3HG2 ILE 74 9.145 -4.388 -0.483 580 1HD1 ILE 74 1HD1 ILE 74 6.694 -1.166 -3.521 581 2HD1 ILE 74 2HD1 ILE 74 6.670 -2.166 -2.095 582 3HD1 ILE 74 3HD1 ILE 74 6.593 -2.905 -3.677 583 H ASP 75 H ASP 75 9.964 -6.247 -3.834 584 HA ASP 75 HA ASP 75 10.360 -7.887 -1.580 585 1HB ASP 75 1HB ASP 75 10.305 -8.311 -4.586 586 2HB ASP 75 2HB ASP 75 10.195 -9.639 -3.530 587 H LYS 76 H LYS 76 12.448 -6.644 -3.947 588 HA LYS 76 HA LYS 76 14.602 -8.572 -3.261 589 1HB LYS 76 1HB LYS 76 13.998 -7.467 -5.583 590 2HB LYS 76 2HB LYS 76 14.940 -6.105 -5.075 591 1HG LYS 76 1HG LYS 76 16.496 -7.622 -6.209 592 2HG LYS 76 2HG LYS 76 16.808 -7.837 -4.515 593 1HD LYS 76 1HD LYS 76 15.647 -9.930 -4.388 594 2HD LYS 76 2HD LYS 76 14.669 -9.594 -5.797 595 1HE LYS 76 1HE LYS 76 17.676 -10.036 -5.942 596 2HE LYS 76 2HE LYS 76 16.544 -11.380 -6.027 597 1HZ LYS 76 1HZ LYS 76 15.631 -9.339 -7.730 598 2HZ LYS 76 2HZ LYS 76 16.160 -10.860 -8.230 599 3HZ LYS 76 3HZ LYS 76 17.263 -9.569 -8.084 600 H VAL 77 H VAL 77 13.748 -5.106 -3.014 601 HA VAL 77 HA VAL 77 15.908 -4.207 -1.440 602 HB VAL 77 HB VAL 77 12.894 -3.571 -1.171 603 1HG1 VAL 77 1HG1 VAL 77 14.104 -3.055 0.953 604 2HG1 VAL 77 2HG1 VAL 77 13.671 -1.570 0.145 605 3HG1 VAL 77 3HG1 VAL 77 15.317 -2.158 0.055 606 1HG2 VAL 77 1HG2 VAL 77 13.964 -2.842 -3.345 607 2HG2 VAL 77 2HG2 VAL 77 15.242 -2.054 -2.439 608 3HG2 VAL 77 3HG2 VAL 77 13.630 -1.429 -2.393 609 H GLU 78 H GLU 78 12.903 -5.923 -0.484 610 HA GLU 78 HA GLU 78 13.310 -6.326 2.160 611 1HB GLU 78 1HB GLU 78 11.790 -7.437 0.006 612 2HB GLU 78 2HB GLU 78 12.436 -8.821 0.811 613 1HG GLU 78 1HG GLU 78 11.027 -6.530 2.292 614 2HG GLU 78 2HG GLU 78 10.202 -8.000 1.756 615 H GLU 79 H GLU 79 14.485 -8.725 -0.216 616 HA GLU 79 HA GLU 79 16.078 -10.180 1.594 617 1HB GLU 79 1HB GLU 79 16.430 -9.728 -1.361 618 2HB GLU 79 2HB GLU 79 17.388 -10.906 -0.461 619 1HG GLU 79 1HG GLU 79 14.389 -10.866 -0.702 620 2HG GLU 79 2HG GLU 79 15.440 -12.121 -1.339 621 H LEU 80 H LEU 80 16.898 -7.398 -0.186 622 HA LEU 80 HA LEU 80 19.748 -7.390 0.328 623 1HB LEU 80 1HB LEU 80 17.738 -5.184 -0.363 624 2HB LEU 80 2HB LEU 80 19.472 -4.913 -0.437 625 HG LEU 80 HG LEU 80 17.958 -7.107 -1.966 626 1HD1 LEU 80 1HD1 LEU 80 19.205 -4.527 -2.948 627 2HD1 LEU 80 2HD1 LEU 80 17.475 -4.898 -2.900 628 3HD1 LEU 80 3HD1 LEU 80 18.544 -5.785 -3.975 629 1HD2 LEU 80 1HD2 LEU 80 20.864 -6.232 -2.166 630 2HD2 LEU 80 2HD2 LEU 80 20.057 -7.437 -3.156 631 3HD2 LEU 80 3HD2 LEU 80 20.293 -7.755 -1.476 632 H LYS 81 H LYS 81 17.147 -5.850 2.012 633 HA LYS 81 HA LYS 81 18.753 -4.604 4.072 634 1HB LYS 81 1HB LYS 81 16.226 -4.460 3.727 635 2HB LYS 81 2HB LYS 81 16.077 -6.036 4.454 636 1HG LYS 81 1HG LYS 81 16.872 -5.270 6.604 637 2HG LYS 81 2HG LYS 81 17.433 -3.749 5.946 638 1HD LYS 81 1HD LYS 81 14.844 -3.523 5.127 639 2HD LYS 81 2HD LYS 81 14.574 -4.801 6.269 640 1HE LYS 81 1HE LYS 81 14.036 -2.561 7.157 641 2HE LYS 81 2HE LYS 81 15.215 -3.436 8.136 642 1HZ LYS 81 1HZ LYS 81 15.507 -1.001 6.630 643 2HZ LYS 81 2HZ LYS 81 16.612 -2.143 6.130 644 3HZ LYS 81 3HZ LYS 81 16.645 -1.675 7.765 645 H LYS 82 H LYS 82 17.396 -7.716 4.058 646 HA LYS 82 HA LYS 82 18.294 -8.822 6.456 647 1HB LYS 82 1HB LYS 82 18.033 -10.318 3.820 648 2HB LYS 82 2HB LYS 82 18.058 -11.064 5.398 649 1HG LYS 82 1HG LYS 82 15.902 -9.996 5.954 650 2HG LYS 82 2HG LYS 82 15.870 -9.172 4.406 651 1HD LYS 82 1HD LYS 82 16.162 -11.485 3.288 652 2HD LYS 82 2HD LYS 82 15.991 -12.202 4.864 653 1HE LYS 82 1HE LYS 82 13.904 -12.342 3.630 654 2HE LYS 82 2HE LYS 82 13.702 -11.300 5.027 655 1HZ LYS 82 1HZ LYS 82 14.529 -9.597 2.964 656 2HZ LYS 82 2HZ LYS 82 12.992 -9.747 3.659 657 3HZ LYS 82 3HZ LYS 82 13.389 -10.685 2.290 658 H LYS 83 H LYS 83 19.635 -9.081 3.371 659 HA LYS 83 HA LYS 83 22.067 -10.418 3.949 660 1HB LYS 83 1HB LYS 83 21.305 -8.732 1.580 661 2HB LYS 83 2HB LYS 83 22.690 -9.791 1.634 662 1HG LYS 83 1HG LYS 83 21.382 -11.736 1.714 663 2HG LYS 83 2HG LYS 83 19.912 -10.846 2.069 664 1HD LYS 83 1HD LYS 83 19.825 -9.815 -0.059 665 2HD LYS 83 2HD LYS 83 21.499 -10.091 -0.432 666 1HE LYS 83 1HE LYS 83 20.158 -12.630 0.035 667 2HE LYS 83 2HE LYS 83 19.222 -11.675 -1.107 668 1HZ LYS 83 1HZ LYS 83 21.938 -11.326 -1.738 669 2HZ LYS 83 2HZ LYS 83 20.706 -11.922 -2.637 670 3HZ LYS 83 3HZ LYS 83 21.650 -13.009 -1.678 671 H TYR 84 H TYR 84 21.725 -7.009 3.023 672 HA TYR 84 HA TYR 84 24.533 -6.626 3.430 673 1HB TYR 84 1HB TYR 84 22.236 -5.106 2.230 674 2HB TYR 84 2HB TYR 84 23.838 -4.424 2.301 675 HD1 TYR 84 HD1 TYR 84 25.770 -6.130 1.493 676 HD2 TYR 84 HD2 TYR 84 21.691 -6.497 0.453 677 HE1 TYR 84 HE1 TYR 84 26.384 -7.567 -0.433 678 HE2 TYR 84 HE2 TYR 84 22.328 -7.935 -1.474 679 HH TYR 84 HH TYR 84 23.930 -9.094 -2.387 680 H GLY 85 H GLY 85 21.780 -5.360 5.381 681 1HA GLY 85 1HA GLY 85 22.327 -4.469 7.547 682 2HA GLY 85 2HA GLY 85 24.005 -4.278 7.049 683 H ILE 86 H ILE 86 21.417 -2.716 7.819 684 HA ILE 86 HA ILE 86 22.151 -0.269 6.263 685 HB ILE 86 HB ILE 86 20.213 -1.064 5.265 686 1HG1 ILE 86 1HG1 ILE 86 19.220 0.951 7.319 687 2HG1 ILE 86 2HG1 ILE 86 20.221 1.387 5.966 688 1HG2 ILE 86 1HG2 ILE 86 19.516 -2.743 6.935 689 2HG2 ILE 86 2HG2 ILE 86 18.211 -1.687 6.443 690 3HG2 ILE 86 3HG2 ILE 86 18.995 -1.446 8.013 691 1HD1 ILE 86 1HD1 ILE 86 17.436 0.111 5.736 692 2HD1 ILE 86 2HD1 ILE 86 18.454 0.570 4.379 693 3HD1 ILE 86 3HD1 ILE 86 17.811 1.794 5.451 694 AH2 COA 1 AH2 COA 1 17.436 1.199 -7.633 695 AH61 COA 1 AH61 COA 1 14.919 3.995 -5.331 696 AH62 COA 1 AH62 COA 1 15.507 5.636 -5.643 697 AH8 COA 1 AH8 COA 1 19.148 7.366 -8.414 698 AH1* COA 1 AH1* COA 1 20.191 3.788 -9.840 699 AH2* COA 1 AH2* COA 1 20.286 6.750 -10.463 700 AHO2 COA 1 AHO2 COA 1 20.938 5.183 -12.461 701 AH3* COA 1 AH3* COA 1 22.583 6.538 -11.011 702 AH4* COA 1 AH4* COA 1 23.308 4.787 -9.036 703 AH51 COA 1 AH51 COA 1 23.600 7.250 -8.786 704 AH52 COA 1 AH52 COA 1 22.889 6.540 -7.375 705 1H12 COA 1 1H12 COA 1 23.830 9.344 -3.408 706 2H12 COA 1 2H12 COA 1 22.809 8.528 -2.271 707 1H13 COA 1 1H13 COA 1 24.874 6.277 -5.286 708 2H13 COA 1 2H13 COA 1 23.695 7.449 -5.798 709 3H13 COA 1 3H13 COA 1 25.192 8.001 -5.095 710 1H14 COA 1 1H14 COA 1 22.003 6.230 -4.375 711 2H14 COA 1 2H14 COA 1 23.260 5.113 -3.878 712 3H14 COA 1 3H14 COA 1 22.326 5.975 -2.663 713 H10 COA 1 H10 COA 1 25.722 7.638 -2.671 714 HO1 COA 1 HO1 COA 1 26.019 5.670 -3.847 715 HN8 COA 1 HN8 COA 1 24.753 4.915 -1.333 716 1H7 COA 1 1H7 COA 1 23.044 5.936 0.853 717 2H7 COA 1 2H7 COA 1 23.550 4.254 0.618 718 1H6 COA 1 1H6 COA 1 25.299 6.568 1.558 719 2H6 COA 1 2H6 COA 1 24.660 5.326 2.643 720 HN4 COA 1 HN4 COA 1 26.417 5.721 -0.309 721 1H3 COA 1 1H3 COA 1 28.826 4.931 -0.314 722 2H3 COA 1 2H3 COA 1 28.206 3.428 0.386 723 1H2 COA 1 1H2 COA 1 27.394 4.711 -2.227 724 2H2 COA 1 2H2 COA 1 28.336 3.240 -2.115 725 1H2 PLY 2 1H2 PLY 2 24.281 2.628 -4.958 726 2H2 PLY 2 2H2 PLY 2 24.947 1.106 -4.295 727 1H3 PLY 2 1H3 PLY 2 23.654 1.381 -2.298 728 2H3 PLY 2 2H3 PLY 2 22.955 2.900 -2.848 729 1H4 PLY 2 1H4 PLY 2 21.258 1.333 -3.776 730 2H4 PLY 2 2H4 PLY 2 22.441 0.046 -3.916 731 1H5 PLY 2 1H5 PLY 2 22.106 2.392 -5.859 732 2H5 PLY 2 2H5 PLY 2 23.234 1.054 -6.055 733 1H6 PLY 2 1H6 PLY 2 20.445 0.242 -5.496 734 2H6 PLY 2 2H6 PLY 2 21.704 -0.516 -6.448 735 1H7 PLY 2 1H7 PLY 2 20.619 2.114 -7.411 736 2H7 PLY 2 2H7 PLY 2 19.607 0.707 -7.589 737 1H8 PLY 2 1H8 PLY 2 21.526 -0.395 -8.804 738 2H8 PLY 2 2H8 PLY 2 20.689 0.934 -9.575 739 1H9 PLY 2 1H9 PLY 2 23.467 0.983 -8.333 740 2H9 PLY 2 2H9 PLY 2 22.617 2.460 -8.750 741 1HA PLY 2 1HA PLY 2 22.651 0.263 -10.810 742 2HA PLY 2 2HA PLY 2 22.527 1.982 -11.005 743 1HB PLY 2 1HB PLY 2 24.798 2.393 -10.574 744 2HB PLY 2 2HB PLY 2 24.671 1.209 -11.860 745 1HC PLY 2 1HC PLY 2 25.685 0.858 -9.035 746 2HC PLY 2 2HC PLY 2 26.419 0.365 -10.529 747 1HD PLY 2 1HD PLY 2 24.016 -0.921 -9.210 748 2HD PLY 2 2HD PLY 2 25.627 -1.610 -9.275 749 1HE PLY 2 1HE PLY 2 23.738 -1.116 -11.587 750 2HE PLY 2 2HE PLY 2 24.073 -2.664 -10.854 751 1HF PLY 2 1HF PLY 2 25.902 -0.903 -12.489 752 2HF PLY 2 2HF PLY 2 25.327 -2.535 -12.914 753 1HG PLY 2 1HG PLY 2 26.548 -3.551 -11.223 754 2HG PLY 2 2HG PLY 2 27.546 -2.713 -12.376 755 3HG PLY 2 3HG PLY 2 27.318 -2.034 -10.768 Start of MODEL 4 1 1H SER 1 1H SER 1 -0.610 2.404 -9.217 2 2H SER 1 2H SER 1 -1.010 3.011 -7.686 3 H SER 1 H SER 1 -0.619 4.113 -8.923 4 HA SER 1 HA SER 1 1.502 2.303 -8.619 5 1HB SER 1 1HB SER 1 2.541 4.716 -7.904 6 2HB SER 1 2HB SER 1 1.912 4.539 -9.541 7 HG SER 1 HG SER 1 0.954 6.112 -7.613 8 H GLN 2 H GLN 2 3.010 2.535 -6.660 9 HA GLN 2 HA GLN 2 1.489 2.610 -4.100 10 1HB GLN 2 1HB GLN 2 1.600 0.329 -4.839 11 2HB GLN 2 2HB GLN 2 3.312 0.448 -5.192 12 1HG GLN 2 1HG GLN 2 3.731 0.856 -2.717 13 2HG GLN 2 2HG GLN 2 2.015 0.580 -2.417 14 1HE2 GLN 2 1HE2 GLN 2 4.848 -0.969 -2.119 15 2HE2 GLN 2 2HE2 GLN 2 4.296 -2.543 -2.457 16 H ALA 3 H ALA 3 2.470 3.779 -2.450 17 HA ALA 3 HA ALA 3 5.048 4.954 -2.864 18 1HB ALA 3 1HB ALA 3 4.488 6.022 -0.698 19 2HB ALA 3 2HB ALA 3 3.113 4.945 -0.503 20 3HB ALA 3 3HB ALA 3 3.136 6.123 -1.812 21 H GLU 4 H GLU 4 3.907 2.136 -1.319 22 HA GLU 4 HA GLU 4 5.941 1.739 0.639 23 1HB GLU 4 1HB GLU 4 3.848 0.134 -0.773 24 2HB GLU 4 2HB GLU 4 5.191 -0.790 -0.155 25 1HG GLU 4 1HG GLU 4 3.046 -0.307 1.382 26 2HG GLU 4 2HG GLU 4 4.633 -0.176 2.121 27 H PHE 5 H PHE 5 5.942 1.516 -2.601 28 HA PHE 5 HA PHE 5 8.446 0.035 -2.921 29 1HB PHE 5 1HB PHE 5 6.731 -0.070 -4.659 30 2HB PHE 5 2HB PHE 5 6.530 1.663 -4.497 31 HD1 PHE 5 HD1 PHE 5 7.991 3.161 -5.718 32 HD2 PHE 5 HD2 PHE 5 8.707 -1.010 -5.841 33 HE1 PHE 5 HE1 PHE 5 9.524 3.514 -7.558 34 HE2 PHE 5 HE2 PHE 5 10.275 -0.675 -7.726 35 HZ PHE 5 HZ PHE 5 10.664 1.623 -8.582 36 H ASP 6 H ASP 6 7.358 3.467 -3.171 37 HA ASP 6 HA ASP 6 9.750 4.709 -3.650 38 1HB ASP 6 1HB ASP 6 7.441 5.611 -1.844 39 2HB ASP 6 2HB ASP 6 8.542 6.630 -2.680 40 H LYS 7 H LYS 7 8.268 3.949 -0.657 41 HA LYS 7 HA LYS 7 10.473 4.859 0.949 42 1HB LYS 7 1HB LYS 7 8.158 4.315 1.895 43 2HB LYS 7 2HB LYS 7 8.529 2.609 1.712 44 1HG LYS 7 1HG LYS 7 10.723 3.111 3.047 45 2HG LYS 7 2HG LYS 7 10.166 4.754 3.244 46 1HD LYS 7 1HD LYS 7 8.125 3.875 4.436 47 2HD LYS 7 2HD LYS 7 8.832 2.274 4.430 48 1HE LYS 7 1HE LYS 7 9.986 4.785 5.760 49 2HE LYS 7 2HE LYS 7 9.328 3.384 6.590 50 1HZ LYS 7 1HZ LYS 7 11.277 2.473 4.772 51 2HZ LYS 7 2HZ LYS 7 11.453 2.390 6.420 52 3HZ LYS 7 3HZ LYS 7 11.995 3.728 5.571 53 H ALA 8 H ALA 8 9.653 1.629 -0.458 54 HA ALA 8 HA ALA 8 11.915 0.299 0.684 55 1HB ALA 8 1HB ALA 8 10.076 -0.764 -0.642 56 2HB ALA 8 2HB ALA 8 11.629 -1.284 -1.243 57 3HB ALA 8 3HB ALA 8 10.706 -0.075 -2.133 58 H ALA 9 H ALA 9 11.670 2.374 -2.256 59 HA ALA 9 HA ALA 9 14.408 2.203 -2.980 60 1HB ALA 9 1HB ALA 9 13.743 4.311 -4.362 61 2HB ALA 9 2HB ALA 9 12.314 4.422 -3.396 62 3HB ALA 9 3HB ALA 9 12.546 3.039 -4.442 63 H GLU 10 H GLU 10 12.795 4.716 -1.032 64 HA GLU 10 HA GLU 10 15.064 6.307 -0.295 65 1HB GLU 10 1HB GLU 10 12.746 5.429 1.578 66 2HB GLU 10 2HB GLU 10 13.761 6.834 1.808 67 1HG GLU 10 1HG GLU 10 12.810 7.857 -0.285 68 2HG GLU 10 2HG GLU 10 11.769 6.481 -0.495 69 H GLU 11 H GLU 11 13.758 3.448 1.239 70 HA GLU 11 HA GLU 11 15.743 3.133 3.130 71 1HB GLU 11 1HB GLU 11 14.183 0.977 1.714 72 2HB GLU 11 2HB GLU 11 15.031 0.793 3.245 73 1HG GLU 11 1HG GLU 11 13.273 3.233 3.033 74 2HG GLU 11 2HG GLU 11 12.525 1.723 2.995 75 H VAL 12 H VAL 12 15.674 1.504 -0.144 76 HA VAL 12 HA VAL 12 18.218 0.272 0.118 77 HB VAL 12 HB VAL 12 16.226 0.183 -1.710 78 1HG1 VAL 12 1HG1 VAL 12 18.346 1.791 -3.223 79 2HG1 VAL 12 2HG1 VAL 12 16.734 2.347 -2.815 80 3HG1 VAL 12 3HG1 VAL 12 16.928 0.999 -3.889 81 1HG2 VAL 12 1HG2 VAL 12 17.846 -1.113 -3.158 82 2HG2 VAL 12 2HG2 VAL 12 18.026 -1.516 -1.464 83 3HG2 VAL 12 3HG2 VAL 12 19.178 -0.431 -2.246 84 H LYS 13 H LYS 13 17.484 3.561 -1.203 85 HA LYS 13 HA LYS 13 20.103 4.179 -2.011 86 1HB LYS 13 1HB LYS 13 17.731 5.714 -0.963 87 2HB LYS 13 2HB LYS 13 19.213 6.562 -1.117 88 1HG LYS 13 1HG LYS 13 18.850 5.119 -3.610 89 2HG LYS 13 2HG LYS 13 17.287 5.707 -3.157 90 1HD LYS 13 1HD LYS 13 18.223 7.429 -4.616 91 2HD LYS 13 2HD LYS 13 18.162 8.062 -2.998 92 1HE LYS 13 1HE LYS 13 20.480 8.041 -2.750 93 2HE LYS 13 2HE LYS 13 20.707 6.733 -3.901 94 1HZ LYS 13 1HZ LYS 13 21.062 8.253 -5.501 95 2HZ LYS 13 2HZ LYS 13 20.894 9.516 -4.500 96 3HZ LYS 13 3HZ LYS 13 19.560 8.966 -5.315 97 H HIS 14 H HIS 14 18.825 3.768 1.045 98 HA HIS 14 HA HIS 14 21.134 4.995 2.455 99 1HB HIS 14 1HB HIS 14 18.516 3.782 3.425 100 2HB HIS 14 2HB HIS 14 19.735 4.369 4.534 101 HD1 HIS 14 HD1 HIS 14 16.948 5.613 2.517 102 HD2 HIS 14 HD2 HIS 14 20.340 7.226 4.157 103 HE1 HIS 14 HE1 HIS 14 16.641 8.070 2.536 104 H LEU 15 H LEU 15 20.891 2.071 1.095 105 HA LEU 15 HA LEU 15 21.802 0.274 3.204 106 1HB LEU 15 1HB LEU 15 21.983 0.171 0.192 107 2HB LEU 15 2HB LEU 15 22.773 -1.081 1.123 108 HG LEU 15 HG LEU 15 19.819 -0.406 1.269 109 1HD1 LEU 15 1HD1 LEU 15 20.562 -1.416 -0.881 110 2HD1 LEU 15 2HD1 LEU 15 19.629 -2.584 0.039 111 3HD1 LEU 15 3HD1 LEU 15 21.382 -2.706 -0.013 112 1HD2 LEU 15 1HD2 LEU 15 21.417 -2.759 2.424 113 2HD2 LEU 15 2HD2 LEU 15 19.664 -2.610 2.438 114 3HD2 LEU 15 3HD2 LEU 15 20.641 -1.507 3.375 115 H LYS 16 H LYS 16 23.537 0.826 4.401 116 HA LYS 16 HA LYS 16 25.820 2.274 3.524 117 1HB LYS 16 1HB LYS 16 25.484 0.315 5.847 118 2HB LYS 16 2HB LYS 16 26.839 1.403 5.693 119 1HG LYS 16 1HG LYS 16 23.911 2.277 5.898 120 2HG LYS 16 2HG LYS 16 25.051 2.288 7.227 121 1HD LYS 16 1HD LYS 16 26.524 3.894 5.870 122 2HD LYS 16 2HD LYS 16 25.302 3.922 4.627 123 1HE LYS 16 1HE LYS 16 24.894 5.868 5.876 124 2HE LYS 16 2HE LYS 16 23.631 4.731 6.330 125 1HZ LYS 16 1HZ LYS 16 24.338 4.882 8.484 126 2HZ LYS 16 2HZ LYS 16 25.562 5.937 8.017 127 3HZ LYS 16 3HZ LYS 16 25.858 4.281 8.025 128 H THR 17 H THR 17 25.220 -0.770 2.397 129 HA THR 17 HA THR 17 28.120 -1.111 1.810 130 HB THR 17 HB THR 17 26.355 -3.172 3.126 131 HG1 THR 17 HG1 THR 17 28.281 -1.311 3.751 132 1HG2 THR 17 1HG2 THR 17 29.314 -3.322 2.249 133 2HG2 THR 17 2HG2 THR 17 28.068 -4.223 1.398 134 3HG2 THR 17 3HG2 THR 17 28.418 -4.574 3.077 135 H LYS 18 H LYS 18 27.545 -0.392 -0.090 136 HA LYS 18 HA LYS 18 26.256 -0.808 -2.292 137 1HB LYS 18 1HB LYS 18 29.156 -1.518 -2.436 138 2HB LYS 18 2HB LYS 18 28.285 -0.393 -3.492 139 1HG LYS 18 1HG LYS 18 28.076 0.929 -1.187 140 2HG LYS 18 2HG LYS 18 29.417 -0.079 -0.704 141 1HD LYS 18 1HD LYS 18 30.854 0.739 -2.430 142 2HD LYS 18 2HD LYS 18 29.573 1.632 -3.199 143 1HE LYS 18 1HE LYS 18 30.729 2.120 -0.412 144 2HE LYS 18 2HE LYS 18 30.962 3.166 -1.814 145 1HZ LYS 18 1HZ LYS 18 28.816 3.178 0.039 146 2HZ LYS 18 2HZ LYS 18 28.179 2.705 -1.443 147 3HZ LYS 18 3HZ LYS 18 28.995 4.192 -1.329 148 HA PRO 19 HA PRO 19 25.762 -5.376 -1.958 149 1HB PRO 19 1HB PRO 19 23.395 -4.521 -3.653 150 2HB PRO 19 2HB PRO 19 23.502 -5.767 -2.420 151 1HG PRO 19 1HG PRO 19 22.524 -3.394 -1.631 152 2HG PRO 19 2HG PRO 19 23.774 -4.129 -0.613 153 1HD PRO 19 1HD PRO 19 24.124 -1.997 -2.795 154 2HD PRO 19 2HD PRO 19 24.684 -1.966 -1.110 155 H ALA 20 H ALA 20 25.519 -7.030 -3.308 156 HA ALA 20 HA ALA 20 27.460 -7.212 -5.414 157 1HB ALA 20 1HB ALA 20 26.446 -9.450 -5.934 158 2HB ALA 20 2HB ALA 20 25.033 -9.013 -4.984 159 3HB ALA 20 3HB ALA 20 26.592 -9.199 -4.203 160 H ASP 21 H ASP 21 27.422 -7.041 -7.768 161 HA ASP 21 HA ASP 21 25.666 -5.231 -8.916 162 1HB ASP 21 1HB ASP 21 26.762 -7.641 -10.532 163 2HB ASP 21 2HB ASP 21 26.382 -6.015 -11.116 164 H GLU 22 H GLU 22 25.160 -8.846 -9.339 165 HA GLU 22 HA GLU 22 22.810 -8.679 -10.691 166 1HB GLU 22 1HB GLU 22 23.182 -10.409 -8.147 167 2HB GLU 22 2HB GLU 22 22.027 -10.769 -9.391 168 1HG GLU 22 1HG GLU 22 23.972 -11.240 -10.962 169 2HG GLU 22 2HG GLU 22 25.072 -10.962 -9.628 170 H GLU 23 H GLU 23 22.930 -8.444 -7.195 171 HA GLU 23 HA GLU 23 20.161 -7.867 -6.845 172 1HB GLU 23 1HB GLU 23 22.573 -6.952 -5.012 173 2HB GLU 23 2HB GLU 23 20.875 -7.114 -4.539 174 1HG GLU 23 1HG GLU 23 21.215 -9.649 -5.248 175 2HG GLU 23 2HG GLU 23 22.922 -9.266 -5.113 176 H MET 24 H MET 24 22.907 -5.681 -7.083 177 HA MET 24 HA MET 24 21.525 -3.217 -7.032 178 1HB MET 24 1HB MET 24 24.029 -4.238 -8.437 179 2HB MET 24 2HB MET 24 23.656 -2.564 -8.497 180 1HG MET 24 1HG MET 24 24.030 -4.203 -5.964 181 2HG MET 24 2HG MET 24 25.233 -3.168 -6.633 182 1HE MET 24 1HE MET 24 25.554 -0.615 -5.655 183 2HE MET 24 2HE MET 24 24.097 0.320 -6.018 184 3HE MET 24 3HE MET 24 24.722 -0.776 -7.212 185 H LEU 25 H LEU 25 22.395 -5.111 -9.814 186 HA LEU 25 HA LEU 25 21.202 -3.907 -11.954 187 1HB LEU 25 1HB LEU 25 21.852 -6.747 -11.140 188 2HB LEU 25 2HB LEU 25 21.185 -6.519 -12.687 189 HG LEU 25 HG LEU 25 23.839 -5.580 -11.558 190 1HD1 LEU 25 1HD1 LEU 25 23.729 -7.875 -12.398 191 2HD1 LEU 25 2HD1 LEU 25 24.740 -6.885 -13.432 192 3HD1 LEU 25 3HD1 LEU 25 23.116 -7.301 -13.942 193 1HD2 LEU 25 1HD2 LEU 25 22.919 -3.761 -13.041 194 2HD2 LEU 25 2HD2 LEU 25 22.656 -4.944 -14.326 195 3HD2 LEU 25 3HD2 LEU 25 24.281 -4.565 -13.797 196 H PHE 26 H PHE 26 19.794 -6.285 -9.815 197 HA PHE 26 HA PHE 26 17.194 -6.353 -11.096 198 1HB PHE 26 1HB PHE 26 18.084 -8.142 -9.554 199 2HB PHE 26 2HB PHE 26 17.989 -7.023 -8.199 200 HD1 PHE 26 HD1 PHE 26 15.739 -5.972 -7.633 201 HD2 PHE 26 HD2 PHE 26 16.110 -9.288 -10.305 202 HE1 PHE 26 HE1 PHE 26 13.358 -6.449 -7.383 203 HE2 PHE 26 HE2 PHE 26 13.718 -9.747 -10.027 204 HZ PHE 26 HZ PHE 26 12.380 -8.307 -8.568 205 H ILE 27 H ILE 27 18.177 -4.876 -7.991 206 HA ILE 27 HA ILE 27 15.870 -3.314 -7.551 207 HB ILE 27 HB ILE 27 18.803 -3.015 -6.897 208 1HG1 ILE 27 1HG1 ILE 27 17.410 -4.521 -5.560 209 2HG1 ILE 27 2HG1 ILE 27 18.037 -3.174 -4.633 210 1HG2 ILE 27 1HG2 ILE 27 18.399 -1.019 -5.516 211 2HG2 ILE 27 2HG2 ILE 27 16.775 -0.917 -6.089 212 3HG2 ILE 27 3HG2 ILE 27 18.104 -0.643 -7.206 213 1HD1 ILE 27 1HD1 ILE 27 15.126 -3.319 -5.651 214 2HD1 ILE 27 2HD1 ILE 27 15.825 -2.056 -4.644 215 3HD1 ILE 27 3HD1 ILE 27 15.684 -3.685 -4.045 216 H TYR 28 H TYR 28 18.701 -2.435 -9.405 217 HA TYR 28 HA TYR 28 18.032 0.098 -10.323 218 1HB TYR 28 1HB TYR 28 20.223 -1.018 -10.583 219 2HB TYR 28 2HB TYR 28 19.558 -2.118 -11.763 220 HD1 TYR 28 HD1 TYR 28 21.287 0.827 -11.348 221 HD2 TYR 28 HD2 TYR 28 18.242 -0.808 -13.868 222 HE1 TYR 28 HE1 TYR 28 21.731 2.499 -13.087 223 HE2 TYR 28 HE2 TYR 28 18.735 0.865 -15.541 224 HH TYR 28 HH TYR 28 20.455 3.510 -14.766 225 H SER 29 H SER 29 17.758 -2.802 -12.309 226 HA SER 29 HA SER 29 16.294 -1.792 -14.461 227 1HB SER 29 1HB SER 29 15.509 -4.236 -14.742 228 2HB SER 29 2HB SER 29 17.229 -4.072 -14.476 229 HG SER 29 HG SER 29 16.984 -4.560 -12.384 230 H HIS 30 H HIS 30 15.122 -3.322 -11.593 231 HA HIS 30 HA HIS 30 12.356 -2.949 -12.158 232 1HB HIS 30 1HB HIS 30 14.003 -3.587 -9.682 233 2HB HIS 30 2HB HIS 30 12.251 -3.465 -9.595 234 HD1 HIS 30 HD1 HIS 30 14.676 -5.181 -11.971 235 HD2 HIS 30 HD2 HIS 30 11.039 -5.791 -10.184 236 HE1 HIS 30 HE1 HIS 30 13.880 -7.421 -12.706 237 H TYR 31 H TYR 31 14.345 -0.912 -9.800 238 HA TYR 31 HA TYR 31 12.273 0.903 -9.366 239 1HB TYR 31 1HB TYR 31 14.441 0.800 -8.168 240 2HB TYR 31 2HB TYR 31 15.259 1.444 -9.557 241 HD1 TYR 31 HD1 TYR 31 15.333 3.750 -9.870 242 HD2 TYR 31 HD2 TYR 31 12.594 2.239 -7.014 243 HE1 TYR 31 HE1 TYR 31 14.879 6.041 -9.094 244 HE2 TYR 31 HE2 TYR 31 12.127 4.529 -6.237 245 HH TYR 31 HH TYR 31 12.680 6.773 -6.432 246 H LYS 32 H LYS 32 14.713 0.850 -12.033 247 HA LYS 32 HA LYS 32 13.903 3.256 -13.251 248 1HB LYS 32 1HB LYS 32 15.261 0.693 -13.944 249 2HB LYS 32 2HB LYS 32 14.582 1.526 -15.283 250 1HG LYS 32 1HG LYS 32 16.971 2.004 -14.693 251 2HG LYS 32 2HG LYS 32 15.939 3.323 -15.208 252 1HD LYS 32 1HD LYS 32 17.267 4.191 -13.527 253 2HD LYS 32 2HD LYS 32 15.766 3.916 -12.676 254 1HE LYS 32 1HE LYS 32 16.658 2.005 -11.595 255 2HE LYS 32 2HE LYS 32 18.069 1.953 -12.675 256 1HZ LYS 32 1HZ LYS 32 19.040 3.659 -11.656 257 2HZ LYS 32 2HZ LYS 32 17.977 3.449 -10.301 258 3HZ LYS 32 3HZ LYS 32 17.725 4.548 -11.601 259 H GLN 33 H GLN 33 13.006 0.021 -14.312 260 HA GLN 33 HA GLN 33 10.872 0.760 -15.987 261 1HB GLN 33 1HB GLN 33 11.460 -1.406 -16.401 262 2HB GLN 33 2HB GLN 33 12.197 -1.605 -14.852 263 1HG GLN 33 1HG GLN 33 10.588 -3.236 -15.040 264 2HG GLN 33 2HG GLN 33 10.077 -2.016 -13.878 265 1HE2 GLN 33 1HE2 GLN 33 9.732 -2.636 -17.481 266 2HE2 GLN 33 2HE2 GLN 33 8.139 -2.053 -17.426 267 H ALA 34 H ALA 34 10.562 -0.280 -12.611 268 HA ALA 34 HA ALA 34 7.792 -0.024 -12.268 269 1HB ALA 34 1HB ALA 34 10.019 0.459 -10.304 270 2HB ALA 34 2HB ALA 34 9.308 -1.091 -10.665 271 3HB ALA 34 3HB ALA 34 8.349 0.143 -9.860 272 H THR 35 H THR 35 10.033 2.542 -12.504 273 HA THR 35 HA THR 35 7.892 4.486 -11.554 274 HB THR 35 HB THR 35 9.734 6.189 -11.171 275 HG1 THR 35 HG1 THR 35 11.547 4.113 -11.614 276 1HG2 THR 35 1HG2 THR 35 9.248 4.540 -9.332 277 2HG2 THR 35 2HG2 THR 35 10.917 5.073 -9.363 278 3HG2 THR 35 3HG2 THR 35 10.491 3.480 -9.978 279 H VAL 36 H VAL 36 10.338 3.982 -13.996 280 HA VAL 36 HA VAL 36 9.297 6.148 -15.705 281 HB VAL 36 HB VAL 36 11.552 4.070 -16.257 282 1HG1 VAL 36 1HG1 VAL 36 10.933 6.740 -17.602 283 2HG1 VAL 36 2HG1 VAL 36 10.705 5.161 -18.338 284 3HG1 VAL 36 3HG1 VAL 36 12.316 5.734 -17.965 285 1HG2 VAL 36 1HG2 VAL 36 13.190 5.747 -15.643 286 2HG2 VAL 36 2HG2 VAL 36 12.141 5.424 -14.276 287 3HG2 VAL 36 3HG2 VAL 36 11.916 6.893 -15.232 288 H GLY 37 H GLY 37 10.051 2.884 -16.254 289 1HA GLY 37 1HA GLY 37 8.312 1.112 -16.948 290 2HA GLY 37 2HA GLY 37 7.706 2.323 -18.096 291 H ASP 38 H ASP 38 8.705 2.392 -20.095 292 HA ASP 38 HA ASP 38 10.658 0.430 -20.815 293 1HB ASP 38 1HB ASP 38 9.041 2.583 -22.124 294 2HB ASP 38 2HB ASP 38 10.431 2.004 -23.022 295 H ILE 39 H ILE 39 12.688 0.737 -21.867 296 HA ILE 39 HA ILE 39 14.344 2.615 -20.419 297 HB ILE 39 HB ILE 39 14.869 0.223 -21.132 298 1HG1 ILE 39 1HG1 ILE 39 17.102 1.988 -22.026 299 2HG1 ILE 39 2HG1 ILE 39 16.453 2.362 -20.460 300 1HG2 ILE 39 1HG2 ILE 39 16.001 -0.165 -23.287 301 2HG2 ILE 39 2HG2 ILE 39 15.658 1.468 -23.810 302 3HG2 ILE 39 3HG2 ILE 39 14.347 0.330 -23.578 303 1HD1 ILE 39 1HD1 ILE 39 17.462 -0.371 -21.342 304 2HD1 ILE 39 2HD1 ILE 39 16.648 -0.084 -19.818 305 3HD1 ILE 39 3HD1 ILE 39 18.199 0.645 -20.129 306 H ASN 40 H ASN 40 13.477 4.339 -20.865 307 HA ASN 40 HA ASN 40 13.610 5.791 -23.455 308 1HB ASN 40 1HB ASN 40 12.274 6.362 -20.756 309 2HB ASN 40 2HB ASN 40 12.323 7.560 -22.045 310 1HD2 ASN 40 1HD2 ASN 40 10.758 4.590 -21.037 311 2HD2 ASN 40 2HD2 ASN 40 9.744 4.535 -22.428 312 H THR 41 H THR 41 15.813 5.008 -22.367 313 HA THR 41 HA THR 41 17.405 7.502 -21.943 314 HB THR 41 HB THR 41 18.910 6.388 -20.209 315 HG1 THR 41 HG1 THR 41 17.721 4.311 -19.514 316 1HG2 THR 41 1HG2 THR 41 17.350 6.043 -18.324 317 2HG2 THR 41 2HG2 THR 41 16.002 5.785 -19.423 318 3HG2 THR 41 3HG2 THR 41 16.725 7.373 -19.266 319 H GLU 42 H GLU 42 19.739 7.108 -22.677 320 HA GLU 42 HA GLU 42 19.726 5.298 -24.977 321 1HB GLU 42 1HB GLU 42 21.644 7.397 -23.871 322 2HB GLU 42 2HB GLU 42 22.171 6.341 -25.162 323 1HG GLU 42 1HG GLU 42 20.445 7.069 -26.622 324 2HG GLU 42 2HG GLU 42 19.546 7.881 -25.337 325 H ARG 43 H ARG 43 21.893 4.131 -25.326 326 HA ARG 43 HA ARG 43 22.130 2.266 -23.045 327 1HB ARG 43 1HB ARG 43 21.527 1.464 -25.101 328 2HB ARG 43 2HB ARG 43 23.065 1.889 -25.865 329 1HG ARG 43 1HG ARG 43 24.286 0.387 -24.337 330 2HG ARG 43 2HG ARG 43 22.857 0.150 -23.340 331 1HD ARG 43 1HD ARG 43 21.721 -0.856 -25.351 332 2HD ARG 43 2HD ARG 43 23.241 -0.702 -26.194 333 HE ARG 43 HE ARG 43 22.962 -2.317 -23.587 334 1HH1 ARG 43 1HH1 ARG 43 25.127 -1.649 -25.808 335 2HH1 ARG 43 2HH1 ARG 43 25.580 -3.307 -26.148 336 1HH2 ARG 43 1HH2 ARG 43 22.959 -4.377 -24.084 337 2HH2 ARG 43 2HH2 ARG 43 24.237 -4.964 -25.061 338 HA PRO 44 HA PRO 44 25.819 4.562 -21.601 339 1HB PRO 44 1HB PRO 44 26.681 1.992 -20.483 340 2HB PRO 44 2HB PRO 44 26.139 3.447 -19.635 341 1HG PRO 44 1HG PRO 44 24.530 1.075 -20.499 342 2HG PRO 44 2HG PRO 44 24.156 2.219 -19.225 343 1HD PRO 44 1HD PRO 44 22.814 2.108 -21.392 344 2HD PRO 44 2HD PRO 44 23.109 3.728 -20.812 345 H GLY 45 H GLY 45 26.195 1.826 -23.484 346 1HA GLY 45 1HA GLY 45 27.916 1.016 -24.937 347 2HA GLY 45 2HA GLY 45 28.274 2.702 -25.153 348 H MET 46 H MET 46 29.804 3.635 -23.503 349 HA MET 46 HA MET 46 32.304 2.328 -23.626 350 1HB MET 46 1HB MET 46 31.278 4.787 -22.481 351 2HB MET 46 2HB MET 46 32.346 4.080 -21.291 352 1HG MET 46 1HG MET 46 34.012 3.704 -23.227 353 2HG MET 46 2HG MET 46 32.991 4.750 -24.165 354 1HE MET 46 1HE MET 46 35.760 4.205 -22.032 355 2HE MET 46 2HE MET 46 34.993 4.866 -20.570 356 3HE MET 46 3HE MET 46 36.286 5.737 -21.395 357 H LEU 47 H LEU 47 30.534 2.677 -20.656 358 HA LEU 47 HA LEU 47 32.056 0.293 -19.585 359 1HB LEU 47 1HB LEU 47 30.505 2.467 -18.089 360 2HB LEU 47 2HB LEU 47 31.195 1.074 -17.292 361 HG LEU 47 HG LEU 47 32.604 3.425 -18.572 362 1HD1 LEU 47 1HD1 LEU 47 33.016 1.919 -16.001 363 2HD1 LEU 47 2HD1 LEU 47 32.214 3.471 -16.178 364 3HD1 LEU 47 3HD1 LEU 47 33.925 3.325 -16.511 365 1HD2 LEU 47 1HD2 LEU 47 34.781 2.223 -18.470 366 2HD2 LEU 47 2HD2 LEU 47 33.744 1.487 -19.665 367 3HD2 LEU 47 3HD2 LEU 47 33.945 0.729 -18.091 368 H ASP 48 H ASP 48 31.118 -1.333 -18.472 369 HA ASP 48 HA ASP 48 28.339 -1.878 -19.385 370 1HB ASP 48 1HB ASP 48 30.207 -3.273 -20.280 371 2HB ASP 48 2HB ASP 48 30.539 -3.879 -18.681 372 H PHE 49 H PHE 49 30.114 -3.437 -16.758 373 HA PHE 49 HA PHE 49 28.063 -4.086 -15.096 374 1HB PHE 49 1HB PHE 49 29.622 -4.119 -13.316 375 2HB PHE 49 2HB PHE 49 30.691 -4.102 -14.691 376 HD1 PHE 49 HD1 PHE 49 29.764 -2.500 -11.690 377 HD2 PHE 49 HD2 PHE 49 31.618 -1.799 -15.449 378 HE1 PHE 49 HE1 PHE 49 30.762 -0.475 -10.801 379 HE2 PHE 49 HE2 PHE 49 32.649 0.257 -14.585 380 HZ PHE 49 HZ PHE 49 32.242 0.927 -12.232 381 H LYS 50 H LYS 50 29.378 -0.912 -14.733 382 HA LYS 50 HA LYS 50 26.768 -0.115 -13.601 383 1HB LYS 50 1HB LYS 50 29.290 0.515 -12.807 384 2HB LYS 50 2HB LYS 50 29.049 1.868 -13.861 385 1HG LYS 50 1HG LYS 50 26.706 1.928 -12.377 386 2HG LYS 50 2HG LYS 50 27.727 1.112 -11.230 387 1HD LYS 50 1HD LYS 50 27.888 3.490 -10.678 388 2HD LYS 50 2HD LYS 50 29.414 2.979 -11.361 389 1HE LYS 50 1HE LYS 50 28.614 5.153 -12.340 390 2HE LYS 50 2HE LYS 50 28.791 3.916 -13.579 391 1HZ LYS 50 1HZ LYS 50 26.252 3.795 -12.295 392 2HZ LYS 50 2HZ LYS 50 26.605 3.855 -13.943 393 3HZ LYS 50 3HZ LYS 50 26.404 5.297 -12.997 394 H GLY 51 H GLY 51 27.859 -0.122 -16.623 395 1HA GLY 51 1HA GLY 51 26.343 2.305 -17.431 396 2HA GLY 51 2HA GLY 51 27.641 1.528 -18.365 397 H LYS 52 H LYS 52 27.158 -0.357 -19.506 398 HA LYS 52 HA LYS 52 24.464 -0.887 -20.308 399 1HB LYS 52 1HB LYS 52 26.842 -2.608 -20.386 400 2HB LYS 52 2HB LYS 52 25.408 -2.931 -21.351 401 1HG LYS 52 1HG LYS 52 25.979 -1.302 -22.887 402 2HG LYS 52 2HG LYS 52 26.675 -0.244 -21.692 403 1HD LYS 52 1HD LYS 52 28.522 -1.231 -23.055 404 2HD LYS 52 2HD LYS 52 28.637 -1.826 -21.441 405 1HE LYS 52 1HE LYS 52 27.400 -3.371 -23.798 406 2HE LYS 52 2HE LYS 52 29.041 -3.606 -23.260 407 1HZ LYS 52 1HZ LYS 52 26.771 -4.996 -22.309 408 2HZ LYS 52 2HZ LYS 52 27.321 -4.062 -21.022 409 3HZ LYS 52 3HZ LYS 52 28.356 -5.124 -21.754 410 H ALA 53 H ALA 53 26.309 -2.964 -18.200 411 HA ALA 53 HA ALA 53 24.497 -5.073 -18.005 412 1HB ALA 53 1HB ALA 53 25.900 -3.704 -15.584 413 2HB ALA 53 2HB ALA 53 26.645 -4.897 -16.632 414 3HB ALA 53 3HB ALA 53 25.352 -5.368 -15.540 415 H LYS 54 H LYS 54 24.351 -2.549 -15.593 416 HA LYS 54 HA LYS 54 21.700 -3.025 -14.683 417 1HB LYS 54 1HB LYS 54 21.995 -0.959 -13.558 418 2HB LYS 54 2HB LYS 54 23.639 -1.552 -13.801 419 1HG LYS 54 1HG LYS 54 23.570 -0.388 -16.101 420 2HG LYS 54 2HG LYS 54 22.095 0.373 -15.524 421 1HD LYS 54 1HD LYS 54 23.382 1.256 -13.600 422 2HD LYS 54 2HD LYS 54 24.809 0.691 -14.456 423 1HE LYS 54 1HE LYS 54 24.276 2.005 -16.424 424 2HE LYS 54 2HE LYS 54 22.634 2.334 -15.909 425 1HZ LYS 54 1HZ LYS 54 23.280 4.035 -14.748 426 2HZ LYS 54 2HZ LYS 54 24.855 3.861 -15.483 427 3HZ LYS 54 3HZ LYS 54 24.440 3.143 -13.958 428 H TRP 55 H TRP 55 22.345 -1.908 -17.925 429 HA TRP 55 HA TRP 55 19.858 -0.355 -18.078 430 1HB TRP 55 1HB TRP 55 22.218 0.411 -18.762 431 2HB TRP 55 2HB TRP 55 22.137 -0.735 -20.065 432 HD1 TRP 55 HD1 TRP 55 20.547 2.615 -18.899 433 HE1 TRP 55 HE1 TRP 55 19.318 3.472 -20.997 434 HE3 TRP 55 HE3 TRP 55 21.001 -1.339 -21.966 435 HZ2 TRP 55 HZ2 TRP 55 18.614 2.659 -23.603 436 HZ3 TRP 55 HZ3 TRP 55 20.028 -1.328 -24.237 437 HH2 TRP 55 HH2 TRP 55 18.846 0.677 -25.071 438 H ASP 56 H ASP 56 21.710 -2.848 -19.306 439 HA ASP 56 HA ASP 56 20.022 -3.976 -21.362 440 1HB ASP 56 1HB ASP 56 22.622 -4.419 -19.949 441 2HB ASP 56 2HB ASP 56 22.016 -5.951 -20.258 442 H ALA 57 H ALA 57 20.786 -4.695 -18.009 443 HA ALA 57 HA ALA 57 18.940 -6.587 -17.275 444 1HB ALA 57 1HB ALA 57 19.323 -5.646 -14.959 445 2HB ALA 57 2HB ALA 57 20.008 -4.208 -15.699 446 3HB ALA 57 3HB ALA 57 20.824 -5.758 -15.875 447 H TRP 58 H TRP 58 18.280 -3.287 -17.967 448 HA TRP 58 HA TRP 58 15.516 -3.345 -16.793 449 1HB TRP 58 1HB TRP 58 16.811 -1.266 -16.291 450 2HB TRP 58 2HB TRP 58 17.147 -1.064 -17.983 451 HD1 TRP 58 HD1 TRP 58 13.536 -2.189 -17.385 452 HE1 TRP 58 HE1 TRP 58 12.084 -0.083 -17.776 453 HE3 TRP 58 HE3 TRP 58 17.029 1.410 -17.443 454 HZ2 TRP 58 HZ2 TRP 58 12.278 2.660 -18.009 455 HZ3 TRP 58 HZ3 TRP 58 16.386 3.809 -17.688 456 HH2 TRP 58 HH2 TRP 58 14.026 4.425 -17.988 457 H ASN 59 H ASN 59 17.118 -2.866 -19.736 458 HA ASN 59 HA ASN 59 15.045 -2.420 -21.679 459 1HB ASN 59 1HB ASN 59 17.616 -2.312 -22.096 460 2HB ASN 59 2HB ASN 59 17.637 -4.057 -22.060 461 1HD2 ASN 59 1HD2 ASN 59 18.292 -4.332 -24.250 462 2HD2 ASN 59 2HD2 ASN 59 17.239 -3.891 -25.523 463 H GLU 60 H GLU 60 16.529 -5.299 -20.344 464 HA GLU 60 HA GLU 60 14.945 -7.359 -21.443 465 1HB GLU 60 1HB GLU 60 16.211 -7.176 -18.680 466 2HB GLU 60 2HB GLU 60 15.402 -8.631 -19.216 467 1HG GLU 60 1HG GLU 60 16.977 -8.650 -21.227 468 2HG GLU 60 2HG GLU 60 17.873 -7.365 -20.453 469 H LEU 61 H LEU 61 13.827 -5.029 -19.376 470 HA LEU 61 HA LEU 61 11.322 -6.475 -18.615 471 1HB LEU 61 1HB LEU 61 12.296 -3.975 -17.208 472 2HB LEU 61 2HB LEU 61 11.136 -5.159 -16.639 473 HG LEU 61 HG LEU 61 14.148 -5.543 -16.858 474 1HD1 LEU 61 1HD1 LEU 61 13.940 -5.611 -14.392 475 2HD1 LEU 61 2HD1 LEU 61 12.207 -5.362 -14.496 476 3HD1 LEU 61 3HD1 LEU 61 13.313 -4.084 -14.996 477 1HD2 LEU 61 1HD2 LEU 61 13.730 -7.700 -15.793 478 2HD2 LEU 61 2HD2 LEU 61 12.919 -7.627 -17.343 479 3HD2 LEU 61 3HD2 LEU 61 11.982 -7.438 -15.866 480 H LYS 62 H LYS 62 12.262 -4.439 -20.932 481 HA LYS 62 HA LYS 62 10.604 -2.152 -20.674 482 1HB LYS 62 1HB LYS 62 12.603 -2.659 -22.251 483 2HB LYS 62 2HB LYS 62 11.545 -3.782 -23.118 484 1HG LYS 62 1HG LYS 62 9.890 -1.886 -23.542 485 2HG LYS 62 2HG LYS 62 11.075 -0.789 -22.882 486 1HD LYS 62 1HD LYS 62 12.679 -1.288 -24.660 487 2HD LYS 62 2HD LYS 62 11.630 -2.531 -25.320 488 1HE LYS 62 1HE LYS 62 9.865 -0.786 -25.756 489 2HE LYS 62 2HE LYS 62 10.927 0.445 -25.101 490 1HZ LYS 62 1HZ LYS 62 10.864 -0.538 -27.731 491 2HZ LYS 62 2HZ LYS 62 12.361 -0.969 -27.097 492 3HZ LYS 62 3HZ LYS 62 11.856 0.663 -27.094 493 H GLY 63 H GLY 63 8.313 -1.936 -21.434 494 1HA GLY 63 1HA GLY 63 6.184 -2.845 -22.093 495 2HA GLY 63 2HA GLY 63 6.931 -4.432 -22.238 496 H THR 64 H THR 64 8.003 -4.513 -19.595 497 HA THR 64 HA THR 64 5.976 -5.760 -18.120 498 HB THR 64 HB THR 64 8.361 -4.269 -16.882 499 HG1 THR 64 HG1 THR 64 9.134 -5.723 -18.171 500 1HG2 THR 64 1HG2 THR 64 6.625 -5.109 -15.155 501 2HG2 THR 64 2HG2 THR 64 8.180 -5.917 -15.120 502 3HG2 THR 64 3HG2 THR 64 6.826 -6.695 -15.901 503 H SER 65 H SER 65 4.642 -5.199 -16.405 504 HA SER 65 HA SER 65 3.668 -2.398 -16.515 505 1HB SER 65 1HB SER 65 2.569 -4.819 -14.985 506 2HB SER 65 2HB SER 65 1.858 -3.196 -14.985 507 HG SER 65 HG SER 65 2.392 -3.932 -17.537 508 H LYS 66 H LYS 66 4.716 -1.163 -15.498 509 HA LYS 66 HA LYS 66 6.621 -1.045 -13.597 510 1HB LYS 66 1HB LYS 66 4.157 0.745 -13.629 511 2HB LYS 66 2HB LYS 66 5.663 1.207 -12.838 512 1HG LYS 66 1HG LYS 66 6.722 0.617 -15.239 513 2HG LYS 66 2HG LYS 66 5.097 0.802 -15.826 514 1HD LYS 66 1HD LYS 66 6.840 2.915 -14.544 515 2HD LYS 66 2HD LYS 66 6.231 2.871 -16.181 516 1HE LYS 66 1HE LYS 66 3.854 3.022 -15.055 517 2HE LYS 66 2HE LYS 66 4.751 3.524 -13.625 518 1HZ LYS 66 1HZ LYS 66 5.809 4.847 -15.884 519 2HZ LYS 66 2HZ LYS 66 5.109 5.564 -14.541 520 3HZ LYS 66 3HZ LYS 66 4.125 5.143 -15.872 521 H GLU 67 H GLU 67 3.349 -1.136 -12.512 522 HA GLU 67 HA GLU 67 3.721 -1.347 -9.782 523 1HB GLU 67 1HB GLU 67 1.640 -2.407 -11.734 524 2HB GLU 67 2HB GLU 67 1.452 -2.629 -10.032 525 1HG GLU 67 1HG GLU 67 1.899 0.017 -9.888 526 2HG GLU 67 2HG GLU 67 1.484 -0.024 -11.593 527 H ASP 68 H ASP 68 3.490 -4.384 -11.911 528 HA ASP 68 HA ASP 68 3.987 -6.002 -9.623 529 1HB ASP 68 1HB ASP 68 3.819 -6.177 -12.605 530 2HB ASP 68 2HB ASP 68 4.850 -7.391 -11.864 531 H ALA 69 H ALA 69 6.104 -4.432 -11.727 532 HA ALA 69 HA ALA 69 8.553 -5.623 -10.835 533 1HB ALA 69 1HB ALA 69 8.118 -2.677 -11.589 534 2HB ALA 69 2HB ALA 69 8.384 -3.987 -12.712 535 3HB ALA 69 3HB ALA 69 9.662 -3.512 -11.602 536 H MET 70 H MET 70 6.603 -3.043 -9.482 537 HA MET 70 HA MET 70 8.273 -2.331 -7.254 538 1HB MET 70 1HB MET 70 5.168 -2.534 -7.231 539 2HB MET 70 2HB MET 70 6.085 -1.599 -6.076 540 1HG MET 70 1HG MET 70 6.930 -0.243 -8.091 541 2HG MET 70 2HG MET 70 5.756 -1.088 -9.044 542 1HE MET 70 1HE MET 70 6.630 1.818 -8.149 543 2HE MET 70 2HE MET 70 5.494 2.719 -7.174 544 3HE MET 70 3HE MET 70 5.200 2.487 -8.919 545 H LYS 71 H LYS 71 5.673 -4.639 -7.118 546 HA LYS 71 HA LYS 71 5.997 -5.685 -4.603 547 1HB LYS 71 1HB LYS 71 5.337 -6.868 -7.323 548 2HB LYS 71 2HB LYS 71 5.373 -7.947 -5.922 549 1HG LYS 71 1HG LYS 71 3.489 -6.910 -4.959 550 2HG LYS 71 2HG LYS 71 3.850 -5.347 -5.660 551 1HD LYS 71 1HD LYS 71 1.846 -6.350 -6.702 552 2HD LYS 71 2HD LYS 71 3.105 -6.069 -7.865 553 1HE LYS 71 1HE LYS 71 3.746 -8.503 -7.690 554 2HE LYS 71 2HE LYS 71 2.373 -8.747 -6.614 555 1HZ LYS 71 1HZ LYS 71 0.990 -8.747 -8.443 556 2HZ LYS 71 2HZ LYS 71 2.335 -8.682 -9.439 557 3HZ LYS 71 3HZ LYS 71 1.611 -7.281 -9.021 558 H ALA 72 H ALA 72 7.754 -6.878 -7.380 559 HA ALA 72 HA ALA 72 9.607 -8.530 -5.844 560 1HB ALA 72 1HB ALA 72 10.686 -8.825 -8.016 561 2HB ALA 72 2HB ALA 72 9.894 -7.390 -8.705 562 3HB ALA 72 3HB ALA 72 8.972 -8.816 -8.265 563 H TYR 73 H TYR 73 10.016 -5.216 -7.214 564 HA TYR 73 HA TYR 73 12.665 -4.699 -6.486 565 1HB TYR 73 1HB TYR 73 11.280 -3.098 -7.751 566 2HB TYR 73 2HB TYR 73 10.219 -2.879 -6.385 567 HD1 TYR 73 HD1 TYR 73 10.778 -1.254 -4.643 568 HD2 TYR 73 HD2 TYR 73 13.675 -2.304 -7.593 569 HE1 TYR 73 HE1 TYR 73 12.223 0.610 -3.917 570 HE2 TYR 73 HE2 TYR 73 15.072 -0.469 -6.848 571 HH TYR 73 HH TYR 73 15.133 1.480 -5.645 572 H ILE 74 H ILE 74 9.789 -4.240 -4.622 573 HA ILE 74 HA ILE 74 10.967 -3.452 -2.145 574 HB ILE 74 HB ILE 74 8.292 -4.783 -2.813 575 1HG1 ILE 74 1HG1 ILE 74 8.982 -1.850 -2.377 576 2HG1 ILE 74 2HG1 ILE 74 8.704 -2.581 -3.944 577 1HG2 ILE 74 1HG2 ILE 74 9.025 -4.911 -0.332 578 2HG2 ILE 74 2HG2 ILE 74 7.666 -3.835 -0.517 579 3HG2 ILE 74 3HG2 ILE 74 9.279 -3.178 -0.353 580 1HD1 ILE 74 1HD1 ILE 74 6.656 -2.459 -1.685 581 2HD1 ILE 74 2HD1 ILE 74 6.423 -3.260 -3.230 582 3HD1 ILE 74 3HD1 ILE 74 6.612 -1.521 -3.159 583 H ASP 75 H ASP 75 9.846 -6.719 -3.334 584 HA ASP 75 HA ASP 75 10.701 -8.087 -1.002 585 1HB ASP 75 1HB ASP 75 10.041 -8.641 -3.837 586 2HB ASP 75 2HB ASP 75 10.939 -9.881 -3.064 587 H LYS 76 H LYS 76 12.455 -6.785 -3.712 588 HA LYS 76 HA LYS 76 14.822 -8.384 -3.149 589 1HB LYS 76 1HB LYS 76 14.194 -7.351 -5.403 590 2HB LYS 76 2HB LYS 76 14.659 -5.786 -4.826 591 1HG LYS 76 1HG LYS 76 16.731 -6.607 -5.770 592 2HG LYS 76 2HG LYS 76 16.912 -7.039 -4.079 593 1HD LYS 76 1HD LYS 76 15.847 -9.301 -4.603 594 2HD LYS 76 2HD LYS 76 15.755 -8.875 -6.271 595 1HE LYS 76 1HE LYS 76 17.625 -10.277 -6.102 596 2HE LYS 76 2HE LYS 76 18.333 -8.670 -6.179 597 1HZ LYS 76 1HZ LYS 76 18.462 -10.598 -4.114 598 2HZ LYS 76 2HZ LYS 76 17.662 -9.238 -3.519 599 3HZ LYS 76 3HZ LYS 76 19.285 -9.112 -4.091 600 H VAL 77 H VAL 77 13.766 -5.059 -2.628 601 HA VAL 77 HA VAL 77 15.976 -4.092 -1.059 602 HB VAL 77 HB VAL 77 12.975 -3.584 -0.535 603 1HG1 VAL 77 1HG1 VAL 77 14.527 -3.058 1.408 604 2HG1 VAL 77 2HG1 VAL 77 13.913 -1.569 0.703 605 3HG1 VAL 77 3HG1 VAL 77 15.534 -2.105 0.323 606 1HG2 VAL 77 1HG2 VAL 77 13.496 -1.476 -1.917 607 2HG2 VAL 77 2HG2 VAL 77 13.804 -2.914 -2.859 608 3HG2 VAL 77 3HG2 VAL 77 15.131 -2.049 -2.119 609 H GLU 78 H GLU 78 13.050 -5.990 0.059 610 HA GLU 78 HA GLU 78 13.909 -6.534 2.621 611 1HB GLU 78 1HB GLU 78 12.054 -7.587 0.639 612 2HB GLU 78 2HB GLU 78 12.659 -8.941 1.530 613 1HG GLU 78 1HG GLU 78 10.522 -7.657 2.436 614 2HG GLU 78 2HG GLU 78 11.774 -7.917 3.650 615 H GLU 79 H GLU 79 14.505 -8.702 -0.125 616 HA GLU 79 HA GLU 79 16.279 -10.507 0.932 617 1HB GLU 79 1HB GLU 79 15.953 -9.191 -1.636 618 2HB GLU 79 2HB GLU 79 17.529 -9.825 -1.482 619 1HG GLU 79 1HG GLU 79 16.103 -12.102 -0.892 620 2HG GLU 79 2HG GLU 79 14.823 -11.126 -1.618 621 H LEU 80 H LEU 80 17.199 -7.466 -0.478 622 HA LEU 80 HA LEU 80 19.974 -7.456 -0.066 623 1HB LEU 80 1HB LEU 80 17.819 -5.364 -0.454 624 2HB LEU 80 2HB LEU 80 19.458 -4.837 -0.147 625 HG LEU 80 HG LEU 80 18.939 -6.886 -2.329 626 1HD1 LEU 80 1HD1 LEU 80 18.747 -4.991 -3.876 627 2HD1 LEU 80 2HD1 LEU 80 18.813 -3.844 -2.535 628 3HD1 LEU 80 3HD1 LEU 80 17.427 -4.922 -2.706 629 1HD2 LEU 80 1HD2 LEU 80 21.034 -5.744 -3.174 630 2HD2 LEU 80 2HD2 LEU 80 21.242 -6.297 -1.528 631 3HD2 LEU 80 3HD2 LEU 80 20.921 -4.606 -1.862 632 H LYS 81 H LYS 81 17.481 -5.734 1.788 633 HA LYS 81 HA LYS 81 18.972 -4.846 3.909 634 1HB LYS 81 1HB LYS 81 16.625 -4.234 3.518 635 2HB LYS 81 2HB LYS 81 16.106 -5.886 3.540 636 1HG LYS 81 1HG LYS 81 16.326 -6.023 5.977 637 2HG LYS 81 2HG LYS 81 17.145 -4.486 6.047 638 1HD LYS 81 1HD LYS 81 15.083 -3.358 5.091 639 2HD LYS 81 2HD LYS 81 14.306 -4.902 4.923 640 1HE LYS 81 1HE LYS 81 13.400 -3.717 6.867 641 2HE LYS 81 2HE LYS 81 14.227 -5.168 7.418 642 1HZ LYS 81 1HZ LYS 81 15.779 -3.841 8.569 643 2HZ LYS 81 2HZ LYS 81 14.882 -2.453 8.216 644 3HZ LYS 81 3HZ LYS 81 16.082 -3.006 7.268 645 H LYS 82 H LYS 82 17.217 -7.946 3.914 646 HA LYS 82 HA LYS 82 18.263 -8.896 6.267 647 1HB LYS 82 1HB LYS 82 17.630 -10.350 3.672 648 2HB LYS 82 2HB LYS 82 17.865 -11.193 5.206 649 1HG LYS 82 1HG LYS 82 16.111 -9.738 6.230 650 2HG LYS 82 2HG LYS 82 15.829 -8.957 4.685 651 1HD LYS 82 1HD LYS 82 15.248 -11.210 3.722 652 2HD LYS 82 2HD LYS 82 15.417 -11.890 5.333 653 1HE LYS 82 1HE LYS 82 13.759 -10.030 6.096 654 2HE LYS 82 2HE LYS 82 13.465 -9.761 4.386 655 1HZ LYS 82 1HZ LYS 82 13.323 -12.537 4.814 656 2HZ LYS 82 2HZ LYS 82 12.079 -11.488 4.374 657 3HZ LYS 82 3HZ LYS 82 12.376 -11.823 6.017 658 H LYS 83 H LYS 83 19.669 -9.011 3.219 659 HA LYS 83 HA LYS 83 22.081 -10.460 3.907 660 1HB LYS 83 1HB LYS 83 21.523 -8.663 1.523 661 2HB LYS 83 2HB LYS 83 22.909 -9.702 1.680 662 1HG LYS 83 1HG LYS 83 21.673 -11.656 1.404 663 2HG LYS 83 2HG LYS 83 20.161 -10.903 1.875 664 1HD LYS 83 1HD LYS 83 20.161 -9.523 -0.165 665 2HD LYS 83 2HD LYS 83 21.750 -10.071 -0.641 666 1HE LYS 83 1HE LYS 83 20.144 -11.265 -1.996 667 2HE LYS 83 2HE LYS 83 20.757 -12.407 -0.812 668 1HZ LYS 83 1HZ LYS 83 18.699 -10.970 0.381 669 2HZ LYS 83 2HZ LYS 83 18.659 -12.630 -0.045 670 3HZ LYS 83 3HZ LYS 83 18.087 -11.507 -1.146 671 H TYR 84 H TYR 84 21.568 -7.017 3.461 672 HA TYR 84 HA TYR 84 24.365 -6.497 4.227 673 1HB TYR 84 1HB TYR 84 22.268 -4.804 2.839 674 2HB TYR 84 2HB TYR 84 23.905 -4.231 3.184 675 HD1 TYR 84 HD1 TYR 84 21.854 -6.310 1.041 676 HD2 TYR 84 HD2 TYR 84 25.869 -5.533 2.171 677 HE1 TYR 84 HE1 TYR 84 22.648 -7.551 -0.938 678 HE2 TYR 84 HE2 TYR 84 26.641 -6.768 0.171 679 HH TYR 84 HH TYR 84 24.406 -8.472 -1.890 680 H GLY 85 H GLY 85 21.301 -6.017 6.042 681 1HA GLY 85 1HA GLY 85 21.711 -5.407 8.314 682 2HA GLY 85 2HA GLY 85 23.083 -4.471 7.855 683 H ILE 86 H ILE 86 19.670 -4.091 6.780 684 HA ILE 86 HA ILE 86 19.705 -1.492 8.260 685 HB ILE 86 HB ILE 86 20.065 -1.136 5.811 686 1HG1 ILE 86 1HG1 ILE 86 17.143 -0.568 6.433 687 2HG1 ILE 86 2HG1 ILE 86 18.414 0.392 7.144 688 1HG2 ILE 86 1HG2 ILE 86 18.405 -1.890 4.139 689 2HG2 ILE 86 2HG2 ILE 86 17.460 -2.609 5.414 690 3HG2 ILE 86 3HG2 ILE 86 19.057 -3.259 5.044 691 1HD1 ILE 86 1HD1 ILE 86 17.483 1.549 5.117 692 2HD1 ILE 86 2HD1 ILE 86 17.855 0.167 4.117 693 3HD1 ILE 86 3HD1 ILE 86 19.150 1.090 4.837 694 AH2 COA 1 AH2 COA 1 17.022 1.247 -8.189 695 AH61 COA 1 AH61 COA 1 15.227 3.105 -4.670 696 AH62 COA 1 AH62 COA 1 15.934 4.713 -4.454 697 AH8 COA 1 AH8 COA 1 18.917 7.346 -7.284 698 AH1* COA 1 AH1* COA 1 19.617 4.415 -9.872 699 AH2* COA 1 AH2* COA 1 19.251 7.454 -9.835 700 AHO2 COA 1 AHO2 COA 1 19.017 6.499 -12.223 701 AH3* COA 1 AH3* COA 1 21.154 7.469 -11.332 702 AH4* COA 1 AH4* COA 1 22.669 5.791 -9.819 703 AH51 COA 1 AH51 COA 1 22.604 8.284 -9.197 704 AH52 COA 1 AH52 COA 1 22.680 7.190 -7.854 705 1H12 COA 1 1H12 COA 1 22.723 8.228 -3.811 706 2H12 COA 1 2H12 COA 1 23.935 9.384 -4.231 707 1H13 COA 1 1H13 COA 1 25.722 8.687 -6.059 708 2H13 COA 1 2H13 COA 1 24.459 7.912 -6.975 709 3H13 COA 1 3H13 COA 1 25.836 6.959 -6.477 710 1H14 COA 1 1H14 COA 1 22.982 6.257 -6.012 711 2H14 COA 1 2H14 COA 1 23.102 5.779 -4.333 712 3H14 COA 1 3H14 COA 1 24.356 5.323 -5.482 713 H10 COA 1 H10 COA 1 25.838 8.198 -3.523 714 HO1 COA 1 HO1 COA 1 26.674 6.693 -4.910 715 HN8 COA 1 HN8 COA 1 24.860 5.067 -3.116 716 1H7 COA 1 1H7 COA 1 23.496 5.535 -0.500 717 2H7 COA 1 2H7 COA 1 23.229 4.095 -1.496 718 1H6 COA 1 1H6 COA 1 25.795 4.943 -0.030 719 2H6 COA 1 2H6 COA 1 24.891 3.459 0.258 720 HN4 COA 1 HN4 COA 1 26.478 5.080 -2.559 721 1H3 COA 1 1H3 COA 1 28.515 4.062 -3.501 722 2H3 COA 1 2H3 COA 1 27.673 2.493 -3.420 723 1H2 COA 1 1H2 COA 1 26.012 4.573 -4.624 724 2H2 COA 1 2H2 COA 1 27.476 4.455 -5.508 725 1H2 PLY 2 1H2 PLY 2 24.213 2.645 -2.854 726 2H2 PLY 2 2H2 PLY 2 23.685 3.041 -4.502 727 1H3 PLY 2 1H3 PLY 2 23.348 0.165 -3.944 728 2H3 PLY 2 2H3 PLY 2 22.727 1.038 -2.587 729 1H4 PLY 2 1H4 PLY 2 21.172 2.371 -4.108 730 2H4 PLY 2 2H4 PLY 2 20.888 0.641 -4.203 731 1H5 PLY 2 1H5 PLY 2 22.354 2.228 -6.248 732 2H5 PLY 2 2H5 PLY 2 22.127 0.466 -6.235 733 1H6 PLY 2 1H6 PLY 2 20.022 2.605 -6.397 734 2H6 PLY 2 2H6 PLY 2 19.611 0.963 -5.917 735 1H7 PLY 2 1H7 PLY 2 19.306 1.091 -8.328 736 2H7 PLY 2 2H7 PLY 2 20.688 0.108 -7.954 737 1H8 PLY 2 1H8 PLY 2 21.336 3.021 -8.339 738 2H8 PLY 2 2H8 PLY 2 20.736 2.222 -9.768 739 1H9 PLY 2 1H9 PLY 2 23.009 1.045 -8.090 740 2H9 PLY 2 2H9 PLY 2 22.376 0.515 -9.634 741 1HA PLY 2 1HA PLY 2 23.141 2.684 -10.648 742 2HA PLY 2 2HA PLY 2 23.710 3.192 -9.076 743 1HB PLY 2 1HB PLY 2 25.627 2.301 -10.319 744 2HB PLY 2 2HB PLY 2 25.274 1.221 -9.004 745 1HC PLY 2 1HC PLY 2 25.577 0.317 -11.579 746 2HC PLY 2 2HC PLY 2 23.849 0.584 -11.571 747 1HD PLY 2 1HD PLY 2 25.430 -1.103 -9.590 748 2HD PLY 2 2HD PLY 2 23.694 -0.847 -9.511 749 1HE PLY 2 1HE PLY 2 23.408 -1.866 -11.690 750 2HE PLY 2 2HE PLY 2 24.078 -3.005 -10.553 751 1HF PLY 2 1HF PLY 2 25.644 -1.485 -12.654 752 2HF PLY 2 2HF PLY 2 25.226 -3.190 -12.749 753 1HG PLY 2 1HG PLY 2 26.638 -3.686 -10.880 754 2HG PLY 2 2HG PLY 2 27.448 -3.003 -12.272 755 3HG PLY 2 3HG PLY 2 27.177 -2.013 -10.819 Start of MODEL 5 1 1H SER 1 1H SER 1 2.502 4.887 -6.120 2 2H SER 1 2H SER 1 1.623 4.548 -7.564 3 H SER 1 H SER 1 1.131 5.811 -6.541 4 HA SER 1 HA SER 1 -0.180 4.357 -5.451 5 1HB SER 1 1HB SER 1 1.047 2.163 -7.249 6 2HB SER 1 2HB SER 1 -0.599 2.216 -6.596 7 HG SER 1 HG SER 1 -0.942 3.333 -8.445 8 H GLN 2 H GLN 2 0.125 1.848 -4.389 9 HA GLN 2 HA GLN 2 1.023 1.472 -2.123 10 1HB GLN 2 1HB GLN 2 0.709 -0.370 -3.594 11 2HB GLN 2 2HB GLN 2 2.150 -0.015 -4.489 12 1HG GLN 2 1HG GLN 2 2.877 -0.513 -1.652 13 2HG GLN 2 2HG GLN 2 1.848 -1.805 -2.221 14 1HE2 GLN 2 1HE2 GLN 2 4.255 0.113 -4.032 15 2HE2 GLN 2 2HE2 GLN 2 5.105 -1.304 -4.535 16 H ALA 3 H ALA 3 2.138 3.507 -1.671 17 HA ALA 3 HA ALA 3 4.487 4.605 -1.859 18 1HB ALA 3 1HB ALA 3 4.623 4.864 0.614 19 2HB ALA 3 2HB ALA 3 3.452 3.574 0.827 20 3HB ALA 3 3HB ALA 3 2.984 5.072 0.028 21 H GLU 4 H GLU 4 4.384 1.458 -0.280 22 HA GLU 4 HA GLU 4 6.863 1.095 0.616 23 1HB GLU 4 1HB GLU 4 4.839 -0.645 -0.792 24 2HB GLU 4 2HB GLU 4 6.272 -1.378 -0.152 25 1HG GLU 4 1HG GLU 4 4.157 -1.331 1.436 26 2HG GLU 4 2HG GLU 4 5.657 -0.794 2.161 27 H PHE 5 H PHE 5 5.991 1.163 -2.479 28 HA PHE 5 HA PHE 5 8.441 0.091 -3.621 29 1HB PHE 5 1HB PHE 5 6.327 0.232 -4.863 30 2HB PHE 5 2HB PHE 5 6.339 1.934 -4.495 31 HD1 PHE 5 HD1 PHE 5 8.788 -0.551 -5.895 32 HD2 PHE 5 HD2 PHE 5 7.135 3.335 -6.360 33 HE1 PHE 5 HE1 PHE 5 10.267 -0.158 -7.810 34 HE2 PHE 5 HE2 PHE 5 8.580 3.735 -8.281 35 HZ PHE 5 HZ PHE 5 10.189 1.978 -9.012 36 H ASP 6 H ASP 6 7.196 3.382 -3.557 37 HA ASP 6 HA ASP 6 9.509 4.706 -4.378 38 1HB ASP 6 1HB ASP 6 7.156 5.612 -2.582 39 2HB ASP 6 2HB ASP 6 8.108 6.643 -3.625 40 H LYS 7 H LYS 7 8.146 4.219 -1.374 41 HA LYS 7 HA LYS 7 10.023 5.367 0.415 42 1HB LYS 7 1HB LYS 7 7.704 4.547 0.987 43 2HB LYS 7 2HB LYS 7 8.279 2.912 0.703 44 1HG LYS 7 1HG LYS 7 9.816 3.016 2.589 45 2HG LYS 7 2HG LYS 7 9.505 4.720 2.841 46 1HD LYS 7 1HD LYS 7 7.143 4.195 3.468 47 2HD LYS 7 2HD LYS 7 7.355 2.520 3.041 48 1HE LYS 7 1HE LYS 7 7.535 2.613 5.432 49 2HE LYS 7 2HE LYS 7 9.163 2.347 4.822 50 1HZ LYS 7 1HZ LYS 7 8.346 4.481 6.462 51 2HZ LYS 7 2HZ LYS 7 8.587 5.146 4.918 52 3HZ LYS 7 3HZ LYS 7 9.843 4.306 5.652 53 H ALA 8 H ALA 8 10.082 2.444 -1.323 54 HA ALA 8 HA ALA 8 12.188 1.165 0.257 55 1HB ALA 8 1HB ALA 8 10.667 -0.157 -1.161 56 2HB ALA 8 2HB ALA 8 12.300 -0.400 -1.656 57 3HB ALA 8 3HB ALA 8 11.251 0.610 -2.615 58 H ALA 9 H ALA 9 12.131 3.403 -2.649 59 HA ALA 9 HA ALA 9 14.784 3.218 -3.345 60 1HB ALA 9 1HB ALA 9 14.418 5.610 -4.149 61 2HB ALA 9 2HB ALA 9 13.002 5.694 -3.113 62 3HB ALA 9 3HB ALA 9 13.014 4.585 -4.462 63 H GLU 10 H GLU 10 13.362 5.054 -0.688 64 HA GLU 10 HA GLU 10 15.734 6.427 0.180 65 1HB GLU 10 1HB GLU 10 13.147 5.543 1.555 66 2HB GLU 10 2HB GLU 10 14.374 6.392 2.466 67 1HG GLU 10 1HG GLU 10 12.576 7.907 1.498 68 2HG GLU 10 2HG GLU 10 14.176 8.347 0.943 69 H GLU 11 H GLU 11 14.137 3.470 1.420 70 HA GLU 11 HA GLU 11 16.082 2.701 3.170 71 1HB GLU 11 1HB GLU 11 14.061 1.361 1.440 72 2HB GLU 11 2HB GLU 11 15.131 0.330 2.331 73 1HG GLU 11 1HG GLU 11 14.182 2.542 4.045 74 2HG GLU 11 2HG GLU 11 12.855 1.825 3.215 75 H VAL 12 H VAL 12 16.057 1.766 -0.323 76 HA VAL 12 HA VAL 12 18.295 0.045 -0.044 77 HB VAL 12 HB VAL 12 16.479 0.640 -1.992 78 1HG1 VAL 12 1HG1 VAL 12 17.640 1.581 -3.973 79 2HG1 VAL 12 2HG1 VAL 12 19.067 1.929 -3.017 80 3HG1 VAL 12 3HG1 VAL 12 17.551 2.773 -2.696 81 1HG2 VAL 12 1HG2 VAL 12 17.850 -0.862 -3.422 82 2HG2 VAL 12 2HG2 VAL 12 17.812 -1.415 -1.754 83 3HG2 VAL 12 3HG2 VAL 12 19.234 -0.588 -2.381 84 H LYS 13 H LYS 13 17.888 3.526 -0.626 85 HA LYS 13 HA LYS 13 20.703 3.955 -0.971 86 1HB LYS 13 1HB LYS 13 18.189 5.591 -0.684 87 2HB LYS 13 2HB LYS 13 19.658 6.342 -0.106 88 1HG LYS 13 1HG LYS 13 20.760 5.855 -2.304 89 2HG LYS 13 2HG LYS 13 19.261 5.150 -2.888 90 1HD LYS 13 1HD LYS 13 18.079 7.289 -2.672 91 2HD LYS 13 2HD LYS 13 19.436 8.012 -1.836 92 1HE LYS 13 1HE LYS 13 19.590 6.975 -4.672 93 2HE LYS 13 2HE LYS 13 19.215 8.650 -4.286 94 1HZ LYS 13 1HZ LYS 13 21.773 7.598 -4.513 95 2HZ LYS 13 2HZ LYS 13 21.608 7.828 -2.849 96 3HZ LYS 13 3HZ LYS 13 21.358 9.043 -4.009 97 H HIS 14 H HIS 14 18.695 3.509 1.765 98 HA HIS 14 HA HIS 14 20.853 4.557 3.594 99 1HB HIS 14 1HB HIS 14 18.140 3.391 4.307 100 2HB HIS 14 2HB HIS 14 19.328 3.896 5.503 101 HD1 HIS 14 HD1 HIS 14 17.217 5.236 2.900 102 HD2 HIS 14 HD2 HIS 14 19.514 6.657 5.927 103 HE1 HIS 14 HE1 HIS 14 16.678 7.692 3.101 104 H LEU 15 H LEU 15 20.175 1.575 2.232 105 HA LEU 15 HA LEU 15 20.605 -0.408 4.106 106 1HB LEU 15 1HB LEU 15 22.106 -0.068 1.492 107 2HB LEU 15 2HB LEU 15 22.128 -1.570 2.388 108 HG LEU 15 HG LEU 15 19.594 -0.271 1.426 109 1HD1 LEU 15 1HD1 LEU 15 21.350 -2.447 0.175 110 2HD1 LEU 15 2HD1 LEU 15 21.054 -0.831 -0.470 111 3HD1 LEU 15 3HD1 LEU 15 19.744 -1.980 -0.376 112 1HD2 LEU 15 1HD2 LEU 15 19.304 -1.890 3.281 113 2HD2 LEU 15 2HD2 LEU 15 20.214 -3.111 2.410 114 3HD2 LEU 15 3HD2 LEU 15 18.662 -2.563 1.813 115 H LYS 16 H LYS 16 22.214 -0.986 5.605 116 HA LYS 16 HA LYS 16 24.247 0.900 6.203 117 1HB LYS 16 1HB LYS 16 23.303 -0.907 7.745 118 2HB LYS 16 2HB LYS 16 24.250 -2.095 6.882 119 1HG LYS 16 1HG LYS 16 25.781 0.309 7.870 120 2HG LYS 16 2HG LYS 16 25.130 -0.739 9.107 121 1HD LYS 16 1HD LYS 16 26.367 -2.633 8.422 122 2HD LYS 16 2HD LYS 16 26.693 -2.028 6.827 123 1HE LYS 16 1HE LYS 16 27.814 -0.781 9.388 124 2HE LYS 16 2HE LYS 16 28.686 -1.964 8.419 125 1HZ LYS 16 1HZ LYS 16 29.290 -0.323 7.012 126 2HZ LYS 16 2HZ LYS 16 28.446 0.829 7.922 127 3HZ LYS 16 3HZ LYS 16 27.655 -0.032 6.683 128 H THR 17 H THR 17 24.262 -0.966 3.482 129 HA THR 17 HA THR 17 27.030 -0.388 2.837 130 HB THR 17 HB THR 17 25.977 -3.153 3.423 131 HG1 THR 17 HG1 THR 17 27.590 -1.441 4.552 132 1HG2 THR 17 1HG2 THR 17 27.272 -3.319 1.193 133 2HG2 THR 17 2HG2 THR 17 28.088 -4.096 2.529 134 3HG2 THR 17 3HG2 THR 17 28.630 -2.518 1.992 135 H LYS 18 H LYS 18 27.448 -1.080 0.513 136 HA LYS 18 HA LYS 18 24.941 -0.723 -1.034 137 1HB LYS 18 1HB LYS 18 26.346 -0.175 -2.933 138 2HB LYS 18 2HB LYS 18 26.978 0.707 -1.562 139 1HG LYS 18 1HG LYS 18 28.696 -1.077 -1.281 140 2HG LYS 18 2HG LYS 18 28.095 -1.822 -2.749 141 1HD LYS 18 1HD LYS 18 28.427 0.305 -4.024 142 2HD LYS 18 2HD LYS 18 29.210 1.034 -2.636 143 1HE LYS 18 1HE LYS 18 30.132 -1.492 -4.095 144 2HE LYS 18 2HE LYS 18 30.904 0.098 -4.161 145 1HZ LYS 18 1HZ LYS 18 31.097 -1.902 -2.137 146 2HZ LYS 18 2HZ LYS 18 30.478 -0.448 -1.490 147 3HZ LYS 18 3HZ LYS 18 31.992 -0.458 -2.273 148 HA PRO 19 HA PRO 19 25.237 -5.175 -1.493 149 1HB PRO 19 1HB PRO 19 23.083 -4.682 -3.588 150 2HB PRO 19 2HB PRO 19 23.103 -5.792 -2.253 151 1HG PRO 19 1HG PRO 19 21.712 -3.573 -1.923 152 2HG PRO 19 2HG PRO 19 22.885 -3.916 -0.633 153 1HD PRO 19 1HD PRO 19 23.398 -2.213 -3.090 154 2HD PRO 19 2HD PRO 19 23.366 -1.735 -1.355 155 H ALA 20 H ALA 20 25.322 -6.766 -3.620 156 HA ALA 20 HA ALA 20 27.684 -5.803 -5.058 157 1HB ALA 20 1HB ALA 20 27.570 -8.098 -4.093 158 2HB ALA 20 2HB ALA 20 27.727 -8.187 -5.841 159 3HB ALA 20 3HB ALA 20 26.167 -8.458 -5.087 160 H ASP 21 H ASP 21 27.878 -5.787 -7.394 161 HA ASP 21 HA ASP 21 26.016 -4.384 -8.775 162 1HB ASP 21 1HB ASP 21 28.001 -6.557 -9.773 163 2HB ASP 21 2HB ASP 21 27.206 -5.427 -10.852 164 H GLU 22 H GLU 22 26.069 -8.031 -9.108 165 HA GLU 22 HA GLU 22 23.803 -8.143 -10.663 166 1HB GLU 22 1HB GLU 22 24.507 -9.958 -8.274 167 2HB GLU 22 2HB GLU 22 23.394 -10.437 -9.530 168 1HG GLU 22 1HG GLU 22 25.320 -11.483 -10.371 169 2HG GLU 22 2HG GLU 22 25.580 -9.910 -11.089 170 H GLU 23 H GLU 23 23.801 -7.811 -7.153 171 HA GLU 23 HA GLU 23 20.901 -7.837 -6.936 172 1HB GLU 23 1HB GLU 23 23.134 -6.746 -5.003 173 2HB GLU 23 2HB GLU 23 21.457 -6.915 -4.569 174 1HG GLU 23 1HG GLU 23 21.630 -9.423 -4.910 175 2HG GLU 23 2HG GLU 23 23.300 -9.238 -5.369 176 H MET 24 H MET 24 23.296 -5.252 -6.984 177 HA MET 24 HA MET 24 21.629 -2.965 -7.015 178 1HB MET 24 1HB MET 24 24.253 -3.612 -8.395 179 2HB MET 24 2HB MET 24 23.716 -1.970 -8.267 180 1HG MET 24 1HG MET 24 23.526 -2.487 -5.690 181 2HG MET 24 2HG MET 24 24.471 -3.894 -6.036 182 1HE MET 24 1HE MET 24 25.626 0.403 -5.735 183 2HE MET 24 2HE MET 24 24.384 -0.500 -4.846 184 3HE MET 24 3HE MET 24 24.238 -0.224 -6.589 185 H LEU 25 H LEU 25 22.623 -4.948 -9.644 186 HA LEU 25 HA LEU 25 21.476 -3.773 -11.897 187 1HB LEU 25 1HB LEU 25 22.438 -6.472 -11.028 188 2HB LEU 25 2HB LEU 25 21.547 -6.456 -12.485 189 HG LEU 25 HG LEU 25 24.064 -4.957 -11.776 190 1HD1 LEU 25 1HD1 LEU 25 25.128 -6.311 -13.553 191 2HD1 LEU 25 2HD1 LEU 25 23.630 -7.204 -13.761 192 3HD1 LEU 25 3HD1 LEU 25 24.517 -7.278 -12.253 193 1HD2 LEU 25 1HD2 LEU 25 22.464 -5.059 -14.428 194 2HD2 LEU 25 2HD2 LEU 25 24.025 -4.282 -14.299 195 3HD2 LEU 25 3HD2 LEU 25 22.644 -3.598 -13.470 196 H PHE 26 H PHE 26 20.202 -6.471 -9.931 197 HA PHE 26 HA PHE 26 17.609 -6.543 -11.134 198 1HB PHE 26 1HB PHE 26 18.522 -8.229 -9.495 199 2HB PHE 26 2HB PHE 26 18.352 -7.068 -8.199 200 HD1 PHE 26 HD1 PHE 26 16.847 -9.830 -9.600 201 HD2 PHE 26 HD2 PHE 26 15.779 -5.941 -8.179 202 HE1 PHE 26 HE1 PHE 26 14.528 -10.576 -9.219 203 HE2 PHE 26 HE2 PHE 26 13.514 -6.697 -7.835 204 HZ PHE 26 HZ PHE 26 12.860 -8.987 -8.310 205 H ILE 27 H ILE 27 18.561 -4.961 -8.121 206 HA ILE 27 HA ILE 27 16.303 -3.477 -7.489 207 HB ILE 27 HB ILE 27 19.234 -2.678 -7.319 208 1HG1 ILE 27 1HG1 ILE 27 18.366 -4.881 -6.235 209 2HG1 ILE 27 2HG1 ILE 27 19.271 -3.758 -5.241 210 1HG2 ILE 27 1HG2 ILE 27 18.510 -1.127 -5.530 211 2HG2 ILE 27 2HG2 ILE 27 16.846 -1.597 -5.779 212 3HG2 ILE 27 3HG2 ILE 27 17.715 -0.716 -7.033 213 1HD1 ILE 27 1HD1 ILE 27 16.191 -4.005 -5.314 214 2HD1 ILE 27 2HD1 ILE 27 17.078 -2.984 -4.212 215 3HD1 ILE 27 3HD1 ILE 27 17.195 -4.725 -4.075 216 H TYR 28 H TYR 28 18.907 -2.436 -9.582 217 HA TYR 28 HA TYR 28 18.035 0.039 -10.474 218 1HB TYR 28 1HB TYR 28 20.279 -0.921 -10.837 219 2HB TYR 28 2HB TYR 28 19.661 -2.131 -11.927 220 HD1 TYR 28 HD1 TYR 28 20.548 1.341 -11.551 221 HD2 TYR 28 HD2 TYR 28 18.712 -1.516 -14.153 222 HE1 TYR 28 HE1 TYR 28 20.670 2.891 -13.386 223 HE2 TYR 28 HE2 TYR 28 18.856 0.094 -15.993 224 HH TYR 28 HH TYR 28 20.677 2.933 -15.780 225 H SER 29 H SER 29 17.718 -2.982 -12.317 226 HA SER 29 HA SER 29 15.951 -2.028 -14.315 227 1HB SER 29 1HB SER 29 15.336 -4.503 -14.633 228 2HB SER 29 2HB SER 29 17.065 -4.305 -14.393 229 HG SER 29 HG SER 29 16.712 -4.638 -12.147 230 H HIS 30 H HIS 30 15.066 -3.782 -11.364 231 HA HIS 30 HA HIS 30 12.261 -3.424 -11.640 232 1HB HIS 30 1HB HIS 30 14.202 -3.924 -9.346 233 2HB HIS 30 2HB HIS 30 12.459 -3.865 -9.048 234 HD1 HIS 30 HD1 HIS 30 11.071 -5.592 -10.186 235 HD2 HIS 30 HD2 HIS 30 15.004 -6.100 -11.123 236 HE1 HIS 30 HE1 HIS 30 11.261 -7.796 -11.375 237 H TYR 31 H TYR 31 14.385 -1.229 -9.626 238 HA TYR 31 HA TYR 31 12.595 0.698 -8.918 239 1HB TYR 31 1HB TYR 31 14.867 0.646 -8.185 240 2HB TYR 31 2HB TYR 31 15.480 0.884 -9.775 241 HD1 TYR 31 HD1 TYR 31 13.038 2.609 -7.460 242 HD2 TYR 31 HD2 TYR 31 16.301 2.977 -10.187 243 HE1 TYR 31 HE1 TYR 31 13.112 5.052 -7.081 244 HE2 TYR 31 HE2 TYR 31 16.330 5.409 -9.780 245 HH TYR 31 HH TYR 31 15.411 6.873 -7.499 246 H LYS 32 H LYS 32 14.692 0.919 -11.682 247 HA LYS 32 HA LYS 32 13.648 3.253 -12.913 248 1HB LYS 32 1HB LYS 32 15.146 0.851 -13.955 249 2HB LYS 32 2HB LYS 32 14.958 2.349 -14.842 250 1HG LYS 32 1HG LYS 32 15.660 3.447 -12.466 251 2HG LYS 32 2HG LYS 32 16.276 1.854 -12.134 252 1HD LYS 32 1HD LYS 32 18.067 2.345 -13.110 253 2HD LYS 32 2HD LYS 32 17.297 2.428 -14.695 254 1HE LYS 32 1HE LYS 32 16.641 4.782 -14.091 255 2HE LYS 32 2HE LYS 32 17.655 4.656 -12.652 256 1HZ LYS 32 1HZ LYS 32 19.204 3.818 -14.903 257 2HZ LYS 32 2HZ LYS 32 19.488 5.143 -13.910 258 3HZ LYS 32 3HZ LYS 32 18.550 5.309 -15.243 259 H GLN 33 H GLN 33 12.957 -0.140 -13.781 260 HA GLN 33 HA GLN 33 10.899 0.653 -15.664 261 1HB GLN 33 1HB GLN 33 11.190 -1.526 -16.201 262 2HB GLN 33 2HB GLN 33 12.348 -1.672 -14.922 263 1HG GLN 33 1HG GLN 33 10.795 -3.364 -14.476 264 2HG GLN 33 2HG GLN 33 10.306 -2.044 -13.433 265 1HE2 GLN 33 1HE2 GLN 33 8.113 -1.336 -13.708 266 2HE2 GLN 33 2HE2 GLN 33 7.198 -1.869 -15.067 267 H ALA 34 H ALA 34 10.623 -0.390 -12.218 268 HA ALA 34 HA ALA 34 7.782 -0.186 -12.060 269 1HB ALA 34 1HB ALA 34 9.937 0.141 -9.981 270 2HB ALA 34 2HB ALA 34 9.170 -1.361 -10.381 271 3HB ALA 34 3HB ALA 34 8.223 -0.099 -9.598 272 H THR 35 H THR 35 10.240 2.412 -12.018 273 HA THR 35 HA THR 35 8.199 4.372 -11.065 274 HB THR 35 HB THR 35 10.136 6.070 -11.265 275 HG1 THR 35 HG1 THR 35 11.616 3.732 -11.641 276 1HG2 THR 35 1HG2 THR 35 11.121 3.624 -9.717 277 2HG2 THR 35 2HG2 THR 35 10.041 4.839 -9.058 278 3HG2 THR 35 3HG2 THR 35 11.648 5.278 -9.557 279 H VAL 36 H VAL 36 10.240 3.646 -13.826 280 HA VAL 36 HA VAL 36 8.923 5.738 -15.472 281 HB VAL 36 HB VAL 36 11.406 3.981 -16.117 282 1HG1 VAL 36 1HG1 VAL 36 11.644 5.438 -18.125 283 2HG1 VAL 36 2HG1 VAL 36 10.158 6.268 -17.737 284 3HG1 VAL 36 3HG1 VAL 36 10.126 4.581 -18.219 285 1HG2 VAL 36 1HG2 VAL 36 11.138 6.937 -15.467 286 2HG2 VAL 36 2HG2 VAL 36 12.592 6.086 -15.943 287 3HG2 VAL 36 3HG2 VAL 36 11.815 5.697 -14.411 288 H GLY 37 H GLY 37 9.638 2.332 -15.737 289 1HA GLY 37 1HA GLY 37 7.950 0.670 -16.497 290 2HA GLY 37 2HA GLY 37 7.319 1.884 -17.623 291 H ASP 38 H ASP 38 7.987 1.675 -19.667 292 HA ASP 38 HA ASP 38 9.867 -0.257 -20.523 293 1HB ASP 38 1HB ASP 38 8.761 2.193 -21.985 294 2HB ASP 38 2HB ASP 38 9.546 0.853 -22.774 295 H ILE 39 H ILE 39 11.723 0.201 -21.828 296 HA ILE 39 HA ILE 39 13.399 2.294 -20.530 297 HB ILE 39 HB ILE 39 14.053 -0.141 -20.576 298 1HG1 ILE 39 1HG1 ILE 39 16.030 1.390 -22.274 299 2HG1 ILE 39 2HG1 ILE 39 15.693 1.923 -20.637 300 1HG2 ILE 39 1HG2 ILE 39 14.353 0.244 -23.598 301 2HG2 ILE 39 2HG2 ILE 39 13.163 -0.775 -22.825 302 3HG2 ILE 39 3HG2 ILE 39 14.868 -1.155 -22.712 303 1HD1 ILE 39 1HD1 ILE 39 17.622 0.329 -20.578 304 2HD1 ILE 39 2HD1 ILE 39 16.694 -0.852 -21.453 305 3HD1 ILE 39 3HD1 ILE 39 16.233 -0.408 -19.833 306 H ASN 40 H ASN 40 12.841 4.204 -21.530 307 HA ASN 40 HA ASN 40 12.401 4.295 -24.435 308 1HB ASN 40 1HB ASN 40 11.506 6.555 -23.875 309 2HB ASN 40 2HB ASN 40 10.813 5.373 -22.757 310 1HD2 ASN 40 1HD2 ASN 40 11.978 8.452 -22.632 311 2HD2 ASN 40 2HD2 ASN 40 12.730 8.337 -21.103 312 H THR 41 H THR 41 14.960 3.802 -23.254 313 HA THR 41 HA THR 41 16.511 6.085 -24.455 314 HB THR 41 HB THR 41 17.991 6.211 -22.584 315 HG1 THR 41 HG1 THR 41 19.006 4.310 -22.642 316 1HG2 THR 41 1HG2 THR 41 17.048 5.452 -20.452 317 2HG2 THR 41 2HG2 THR 41 15.964 4.343 -21.260 318 3HG2 THR 41 3HG2 THR 41 15.691 6.077 -21.378 319 H GLU 42 H GLU 42 18.824 5.386 -24.958 320 HA GLU 42 HA GLU 42 18.688 2.836 -26.487 321 1HB GLU 42 1HB GLU 42 20.386 3.908 -27.937 322 2HB GLU 42 2HB GLU 42 19.087 5.052 -27.682 323 1HG GLU 42 1HG GLU 42 20.456 6.109 -25.790 324 2HG GLU 42 2HG GLU 42 21.745 4.995 -26.177 325 H ARG 43 H ARG 43 20.828 1.719 -26.694 326 HA ARG 43 HA ARG 43 21.781 0.908 -24.180 327 1HB ARG 43 1HB ARG 43 21.521 -0.176 -26.569 328 2HB ARG 43 2HB ARG 43 23.202 0.280 -26.734 329 1HG ARG 43 1HG ARG 43 23.927 -1.332 -25.171 330 2HG ARG 43 2HG ARG 43 22.513 -1.090 -24.154 331 1HD ARG 43 1HD ARG 43 21.094 -2.317 -25.704 332 2HD ARG 43 2HD ARG 43 22.415 -2.540 -26.827 333 HE ARG 43 HE ARG 43 22.521 -3.645 -24.006 334 1HH1 ARG 43 1HH1 ARG 43 24.258 -3.665 -26.632 335 2HH1 ARG 43 2HH1 ARG 43 24.396 -5.398 -26.792 336 1HH2 ARG 43 1HH2 ARG 43 22.010 -5.731 -24.298 337 2HH2 ARG 43 2HH2 ARG 43 22.985 -6.673 -25.381 338 HA PRO 44 HA PRO 44 24.793 4.136 -23.184 339 1HB PRO 44 1HB PRO 44 25.563 1.824 -21.351 340 2HB PRO 44 2HB PRO 44 25.513 3.555 -20.969 341 1HG PRO 44 1HG PRO 44 23.386 2.185 -20.293 342 2HG PRO 44 2HG PRO 44 23.113 3.670 -21.224 343 1HD PRO 44 1HD PRO 44 23.147 0.780 -22.249 344 2HD PRO 44 2HD PRO 44 21.971 2.092 -22.544 345 H GLY 45 H GLY 45 27.037 4.616 -22.905 346 1HA GLY 45 1HA GLY 45 28.791 3.011 -24.756 347 2HA GLY 45 2HA GLY 45 28.941 4.727 -24.506 348 H MET 46 H MET 46 30.084 5.462 -22.864 349 HA MET 46 HA MET 46 32.416 4.789 -21.988 350 1HB MET 46 1HB MET 46 30.310 5.885 -20.093 351 2HB MET 46 2HB MET 46 32.046 6.066 -19.868 352 1HG MET 46 1HG MET 46 31.251 8.083 -20.778 353 2HG MET 46 2HG MET 46 32.102 7.291 -22.067 354 1HE MET 46 1HE MET 46 28.180 6.868 -20.844 355 2HE MET 46 2HE MET 46 27.729 8.353 -21.684 356 3HE MET 46 3HE MET 46 28.981 8.409 -20.473 357 H LEU 47 H LEU 47 30.172 4.055 -19.385 358 HA LEU 47 HA LEU 47 32.094 2.079 -18.356 359 1HB LEU 47 1HB LEU 47 29.599 3.432 -17.355 360 2HB LEU 47 2HB LEU 47 30.139 2.007 -16.527 361 HG LEU 47 HG LEU 47 32.492 3.596 -16.920 362 1HD1 LEU 47 1HD1 LEU 47 30.949 5.526 -17.334 363 2HD1 LEU 47 2HD1 LEU 47 31.835 5.725 -15.841 364 3HD1 LEU 47 3HD1 LEU 47 30.149 5.227 -15.798 365 1HD2 LEU 47 1HD2 LEU 47 30.735 3.131 -14.492 366 2HD2 LEU 47 2HD2 LEU 47 32.431 3.602 -14.454 367 3HD2 LEU 47 3HD2 LEU 47 31.973 2.024 -15.074 368 H ASP 48 H ASP 48 31.627 0.937 -20.382 369 HA ASP 48 HA ASP 48 29.673 -0.591 -21.261 370 1HB ASP 48 1HB ASP 48 31.446 -2.635 -21.141 371 2HB ASP 48 2HB ASP 48 31.800 -1.200 -22.075 372 H PHE 49 H PHE 49 31.219 -2.510 -18.599 373 HA PHE 49 HA PHE 49 28.804 -4.022 -18.276 374 1HB PHE 49 1HB PHE 49 29.885 -5.085 -16.366 375 2HB PHE 49 2HB PHE 49 31.210 -4.632 -17.402 376 HD1 PHE 49 HD1 PHE 49 32.372 -2.343 -16.895 377 HD2 PHE 49 HD2 PHE 49 29.909 -4.389 -14.103 378 HE1 PHE 49 HE1 PHE 49 33.348 -1.036 -15.099 379 HE2 PHE 49 HE2 PHE 49 30.889 -3.083 -12.280 380 HZ PHE 49 HZ PHE 49 32.610 -1.381 -12.765 381 H LYS 50 H LYS 50 30.036 -1.747 -16.043 382 HA LYS 50 HA LYS 50 27.848 -1.406 -14.338 383 1HB LYS 50 1HB LYS 50 30.077 -0.763 -13.817 384 2HB LYS 50 2HB LYS 50 30.112 0.432 -15.096 385 1HG LYS 50 1HG LYS 50 28.576 1.856 -13.877 386 2HG LYS 50 2HG LYS 50 28.133 0.566 -12.769 387 1HD LYS 50 1HD LYS 50 30.280 0.551 -11.742 388 2HD LYS 50 2HD LYS 50 31.025 1.466 -13.039 389 1HE LYS 50 1HE LYS 50 29.666 3.457 -12.356 390 2HE LYS 50 2HE LYS 50 28.975 2.516 -11.042 391 1HZ LYS 50 1HZ LYS 50 31.761 2.149 -11.024 392 2HZ LYS 50 2HZ LYS 50 30.813 2.872 -9.843 393 3HZ LYS 50 3HZ LYS 50 31.491 3.827 -11.068 394 H GLY 51 H GLY 51 27.816 -0.495 -17.508 395 1HA GLY 51 1HA GLY 51 25.569 1.460 -17.046 396 2HA GLY 51 2HA GLY 51 26.715 1.589 -18.393 397 H LYS 52 H LYS 52 26.899 -0.725 -19.550 398 HA LYS 52 HA LYS 52 24.437 -1.153 -20.895 399 1HB LYS 52 1HB LYS 52 27.063 -2.643 -20.940 400 2HB LYS 52 2HB LYS 52 25.668 -3.588 -21.381 401 1HG LYS 52 1HG LYS 52 26.348 -2.697 -23.435 402 2HG LYS 52 2HG LYS 52 24.960 -1.774 -22.958 403 1HD LYS 52 1HD LYS 52 26.204 0.045 -23.396 404 2HD LYS 52 2HD LYS 52 26.936 -0.218 -21.823 405 1HE LYS 52 1HE LYS 52 28.783 -1.515 -22.789 406 2HE LYS 52 2HE LYS 52 28.044 -1.423 -24.372 407 1HZ LYS 52 1HZ LYS 52 29.050 0.541 -24.705 408 2HZ LYS 52 2HZ LYS 52 29.687 0.640 -23.151 409 3HZ LYS 52 3HZ LYS 52 28.164 1.213 -23.468 410 H ALA 53 H ALA 53 25.792 -2.987 -18.280 411 HA ALA 53 HA ALA 53 23.891 -5.109 -18.446 412 1HB ALA 53 1HB ALA 53 26.081 -5.264 -17.165 413 2HB ALA 53 2HB ALA 53 24.769 -5.625 -16.062 414 3HB ALA 53 3HB ALA 53 25.532 -4.044 -16.049 415 H LYS 54 H LYS 54 24.100 -2.162 -16.446 416 HA LYS 54 HA LYS 54 21.599 -2.391 -15.130 417 1HB LYS 54 1HB LYS 54 23.013 0.054 -16.255 418 2HB LYS 54 2HB LYS 54 21.686 0.142 -15.135 419 1HG LYS 54 1HG LYS 54 22.953 -0.805 -13.328 420 2HG LYS 54 2HG LYS 54 24.240 -1.354 -14.403 421 1HD LYS 54 1HD LYS 54 25.084 0.739 -13.447 422 2HD LYS 54 2HD LYS 54 24.578 1.014 -15.092 423 1HE LYS 54 1HE LYS 54 22.515 1.956 -14.469 424 2HE LYS 54 2HE LYS 54 22.914 1.881 -12.759 425 1HZ LYS 54 1HZ LYS 54 25.098 3.151 -14.102 426 2HZ LYS 54 2HZ LYS 54 23.906 3.959 -13.140 427 3HZ LYS 54 3HZ LYS 54 23.637 3.791 -14.676 428 H TRP 55 H TRP 55 22.270 -1.040 -18.519 429 HA TRP 55 HA TRP 55 19.605 -0.275 -18.993 430 1HB TRP 55 1HB TRP 55 21.856 0.239 -20.267 431 2HB TRP 55 2HB TRP 55 21.630 -1.276 -21.088 432 HD1 TRP 55 HD1 TRP 55 19.891 2.159 -20.588 433 HE1 TRP 55 HE1 TRP 55 18.293 2.425 -22.453 434 HE3 TRP 55 HE3 TRP 55 20.319 -2.379 -22.752 435 HZ2 TRP 55 HZ2 TRP 55 17.211 0.912 -24.721 436 HZ3 TRP 55 HZ3 TRP 55 19.001 -2.980 -24.749 437 HH2 TRP 55 HH2 TRP 55 17.445 -1.338 -25.747 438 H ASP 56 H ASP 56 21.424 -3.080 -20.343 439 HA ASP 56 HA ASP 56 19.430 -4.563 -21.339 440 1HB ASP 56 1HB ASP 56 22.153 -4.895 -20.080 441 2HB ASP 56 2HB ASP 56 21.409 -6.387 -20.404 442 H ALA 57 H ALA 57 20.477 -4.781 -18.013 443 HA ALA 57 HA ALA 57 18.706 -6.644 -17.021 444 1HB ALA 57 1HB ALA 57 19.826 -4.136 -15.673 445 2HB ALA 57 2HB ALA 57 20.677 -5.664 -15.824 446 3HB ALA 57 3HB ALA 57 19.237 -5.549 -14.812 447 H TRP 58 H TRP 58 18.232 -3.155 -17.558 448 HA TRP 58 HA TRP 58 15.468 -3.217 -16.484 449 1HB TRP 58 1HB TRP 58 16.770 -1.121 -16.356 450 2HB TRP 58 2HB TRP 58 16.948 -1.094 -18.090 451 HD1 TRP 58 HD1 TRP 58 13.396 -2.179 -17.049 452 HE1 TRP 58 HE1 TRP 58 11.921 -0.079 -17.398 453 HE3 TRP 58 HE3 TRP 58 16.802 1.473 -17.796 454 HZ2 TRP 58 HZ2 TRP 58 11.997 2.574 -17.830 455 HZ3 TRP 58 HZ3 TRP 58 16.045 3.844 -18.195 456 HH2 TRP 58 HH2 TRP 58 13.660 4.377 -18.211 457 H ASN 59 H ASN 59 16.862 -2.870 -19.933 458 HA ASN 59 HA ASN 59 14.687 -2.727 -21.339 459 1HB ASN 59 1HB ASN 59 17.108 -2.698 -22.165 460 2HB ASN 59 2HB ASN 59 17.165 -4.423 -21.854 461 1HD2 ASN 59 1HD2 ASN 59 16.198 -2.093 -24.191 462 2HD2 ASN 59 2HD2 ASN 59 15.400 -3.274 -25.177 463 H GLU 60 H GLU 60 16.040 -5.917 -20.253 464 HA GLU 60 HA GLU 60 14.085 -7.214 -21.770 465 1HB GLU 60 1HB GLU 60 16.252 -8.203 -20.860 466 2HB GLU 60 2HB GLU 60 15.576 -8.180 -19.249 467 1HG GLU 60 1HG GLU 60 14.066 -9.682 -21.441 468 2HG GLU 60 2HG GLU 60 15.504 -10.419 -20.789 469 H LEU 61 H LEU 61 13.388 -5.442 -18.950 470 HA LEU 61 HA LEU 61 11.049 -7.067 -18.259 471 1HB LEU 61 1HB LEU 61 12.072 -4.461 -17.026 472 2HB LEU 61 2HB LEU 61 10.880 -5.535 -16.331 473 HG LEU 61 HG LEU 61 13.873 -6.058 -16.604 474 1HD1 LEU 61 1HD1 LEU 61 12.006 -5.579 -14.224 475 2HD1 LEU 61 2HD1 LEU 61 13.165 -4.425 -14.868 476 3HD1 LEU 61 3HD1 LEU 61 13.726 -5.913 -14.120 477 1HD2 LEU 61 1HD2 LEU 61 12.558 -8.111 -16.904 478 2HD2 LEU 61 2HD2 LEU 61 11.663 -7.793 -15.408 479 3HD2 LEU 61 3HD2 LEU 61 13.399 -8.115 -15.364 480 H LYS 62 H LYS 62 12.078 -4.564 -20.232 481 HA LYS 62 HA LYS 62 10.670 -2.492 -20.331 482 1HB LYS 62 1HB LYS 62 12.146 -3.107 -22.082 483 2HB LYS 62 2HB LYS 62 11.209 -4.545 -22.485 484 1HG LYS 62 1HG LYS 62 9.846 -1.846 -22.791 485 2HG LYS 62 2HG LYS 62 10.943 -2.374 -24.062 486 1HD LYS 62 1HD LYS 62 9.606 -4.261 -24.618 487 2HD LYS 62 2HD LYS 62 8.713 -4.277 -23.142 488 1HE LYS 62 1HE LYS 62 8.486 -2.081 -25.256 489 2HE LYS 62 2HE LYS 62 7.436 -3.483 -25.206 490 1HZ LYS 62 1HZ LYS 62 7.492 -2.192 -22.607 491 2HZ LYS 62 2HZ LYS 62 6.147 -2.382 -23.677 492 3HZ LYS 62 3HZ LYS 62 7.176 -1.076 -23.759 493 H GLY 63 H GLY 63 8.595 -5.299 -20.892 494 1HA GLY 63 1HA GLY 63 6.407 -3.266 -21.122 495 2HA GLY 63 2HA GLY 63 6.340 -4.916 -21.745 496 H THR 64 H THR 64 7.643 -4.146 -18.616 497 HA THR 64 HA THR 64 5.425 -5.753 -17.400 498 HB THR 64 HB THR 64 8.089 -4.906 -16.145 499 HG1 THR 64 HG1 THR 64 8.206 -6.201 -17.882 500 1HG2 THR 64 1HG2 THR 64 6.048 -7.100 -15.467 501 2HG2 THR 64 2HG2 THR 64 6.160 -5.603 -14.533 502 3HG2 THR 64 3HG2 THR 64 7.513 -6.719 -14.589 503 H SER 65 H SER 65 3.972 -5.024 -15.948 504 HA SER 65 HA SER 65 3.385 -2.287 -15.846 505 1HB SER 65 1HB SER 65 1.776 -2.928 -14.040 506 2HB SER 65 2HB SER 65 1.821 -4.238 -15.247 507 HG SER 65 HG SER 65 2.501 -5.344 -13.406 508 H LYS 66 H LYS 66 3.613 -0.673 -14.341 509 HA LYS 66 HA LYS 66 6.048 -0.343 -13.079 510 1HB LYS 66 1HB LYS 66 3.350 0.795 -12.143 511 2HB LYS 66 2HB LYS 66 4.921 1.512 -11.918 512 1HG LYS 66 1HG LYS 66 4.896 1.112 -14.711 513 2HG LYS 66 2HG LYS 66 3.180 1.285 -14.392 514 1HD LYS 66 1HD LYS 66 4.004 3.392 -15.044 515 2HD LYS 66 2HD LYS 66 3.580 3.477 -13.338 516 1HE LYS 66 1HE LYS 66 5.851 3.445 -12.665 517 2HE LYS 66 2HE LYS 66 6.424 2.848 -14.216 518 1HZ LYS 66 1HZ LYS 66 6.183 5.507 -13.420 519 2HZ LYS 66 2HZ LYS 66 4.967 5.307 -14.576 520 3HZ LYS 66 3HZ LYS 66 6.586 4.941 -14.940 521 H GLU 67 H GLU 67 3.082 -1.310 -11.788 522 HA GLU 67 HA GLU 67 3.507 -1.993 -9.154 523 1HB GLU 67 1HB GLU 67 1.724 -2.875 -11.362 524 2HB GLU 67 2HB GLU 67 1.544 -3.605 -9.811 525 1HG GLU 67 1HG GLU 67 1.509 -0.531 -10.046 526 2HG GLU 67 2HG GLU 67 0.026 -1.465 -10.093 527 H ASP 68 H ASP 68 3.993 -4.355 -11.917 528 HA ASP 68 HA ASP 68 4.702 -6.432 -10.023 529 1HB ASP 68 1HB ASP 68 4.642 -5.942 -13.014 530 2HB ASP 68 2HB ASP 68 5.483 -7.339 -12.407 531 H ALA 69 H ALA 69 6.260 -4.110 -11.824 532 HA ALA 69 HA ALA 69 8.939 -5.112 -11.231 533 1HB ALA 69 1HB ALA 69 9.615 -2.838 -11.871 534 2HB ALA 69 2HB ALA 69 7.926 -2.302 -11.838 535 3HB ALA 69 3HB ALA 69 8.425 -3.514 -12.990 536 H MET 70 H MET 70 6.682 -2.784 -9.739 537 HA MET 70 HA MET 70 8.201 -2.129 -7.436 538 1HB MET 70 1HB MET 70 5.115 -2.622 -7.532 539 2HB MET 70 2HB MET 70 5.918 -1.851 -6.209 540 1HG MET 70 1HG MET 70 6.397 0.095 -7.474 541 2HG MET 70 2HG MET 70 6.080 -0.678 -8.980 542 1HE MET 70 1HE MET 70 3.429 2.201 -7.304 543 2HE MET 70 2HE MET 70 5.145 2.143 -7.646 544 3HE MET 70 3HE MET 70 4.509 1.519 -6.089 545 H LYS 71 H LYS 71 5.932 -4.759 -7.701 546 HA LYS 71 HA LYS 71 6.326 -5.971 -5.218 547 1HB LYS 71 1HB LYS 71 5.977 -7.380 -7.918 548 2HB LYS 71 2HB LYS 71 5.843 -8.236 -6.388 549 1HG LYS 71 1HG LYS 71 4.009 -6.611 -5.696 550 2HG LYS 71 2HG LYS 71 4.075 -5.906 -7.289 551 1HD LYS 71 1HD LYS 71 3.521 -8.874 -6.838 552 2HD LYS 71 2HD LYS 71 2.232 -7.706 -6.927 553 1HE LYS 71 1HE LYS 71 4.260 -8.059 -9.184 554 2HE LYS 71 2HE LYS 71 2.798 -8.988 -9.084 555 1HZ LYS 71 1HZ LYS 71 1.787 -7.307 -10.132 556 2HZ LYS 71 2HZ LYS 71 2.994 -6.246 -9.952 557 3HZ LYS 71 3HZ LYS 71 1.914 -6.398 -8.668 558 H ALA 72 H ALA 72 8.221 -6.873 -8.187 559 HA ALA 72 HA ALA 72 10.183 -8.344 -6.741 560 1HB ALA 72 1HB ALA 72 11.303 -8.180 -9.004 561 2HB ALA 72 2HB ALA 72 10.111 -6.972 -9.434 562 3HB ALA 72 3HB ALA 72 9.614 -8.603 -9.086 563 H TYR 73 H TYR 73 10.210 -4.868 -7.652 564 HA TYR 73 HA TYR 73 12.879 -4.286 -6.910 565 1HB TYR 73 1HB TYR 73 11.345 -2.568 -8.029 566 2HB TYR 73 2HB TYR 73 10.376 -2.539 -6.579 567 HD1 TYR 73 HD1 TYR 73 13.971 -2.193 -7.564 568 HD2 TYR 73 HD2 TYR 73 10.864 -0.785 -4.998 569 HE1 TYR 73 HE1 TYR 73 15.459 -0.467 -6.665 570 HE2 TYR 73 HE2 TYR 73 12.397 0.971 -4.169 571 HH TYR 73 HH TYR 73 15.503 1.587 -5.587 572 H ILE 74 H ILE 74 9.912 -3.940 -5.149 573 HA ILE 74 HA ILE 74 10.972 -3.281 -2.648 574 HB ILE 74 HB ILE 74 8.346 -4.730 -3.247 575 1HG1 ILE 74 1HG1 ILE 74 8.897 -1.756 -2.742 576 2HG1 ILE 74 2HG1 ILE 74 8.899 -2.414 -4.365 577 1HG2 ILE 74 1HG2 ILE 74 9.088 -4.746 -0.785 578 2HG2 ILE 74 2HG2 ILE 74 7.703 -3.696 -1.023 579 3HG2 ILE 74 3HG2 ILE 74 9.295 -2.998 -0.880 580 1HD1 ILE 74 1HD1 ILE 74 6.614 -3.255 -4.131 581 2HD1 ILE 74 2HD1 ILE 74 6.682 -1.534 -3.779 582 3HD1 ILE 74 3HD1 ILE 74 6.527 -2.681 -2.478 583 H ASP 75 H ASP 75 10.384 -6.414 -4.161 584 HA ASP 75 HA ASP 75 10.838 -8.047 -1.783 585 1HB ASP 75 1HB ASP 75 10.581 -8.371 -4.750 586 2HB ASP 75 2HB ASP 75 11.609 -9.542 -3.986 587 H LYS 76 H LYS 76 12.666 -7.785 -4.481 588 HA LYS 76 HA LYS 76 15.281 -8.294 -3.596 589 1HB LYS 76 1HB LYS 76 14.586 -7.217 -5.899 590 2HB LYS 76 2HB LYS 76 15.072 -5.697 -5.232 591 1HG LYS 76 1HG LYS 76 17.108 -6.659 -6.261 592 2HG LYS 76 2HG LYS 76 17.320 -6.955 -4.536 593 1HD LYS 76 1HD LYS 76 15.978 -9.235 -5.043 594 2HD LYS 76 2HD LYS 76 16.241 -8.874 -6.679 595 1HE LYS 76 1HE LYS 76 17.766 -10.513 -5.989 596 2HE LYS 76 2HE LYS 76 18.684 -9.048 -6.343 597 1HZ LYS 76 1HZ LYS 76 18.412 -10.514 -3.949 598 2HZ LYS 76 2HZ LYS 76 17.841 -8.945 -3.671 599 3HZ LYS 76 3HZ LYS 76 19.481 -9.181 -4.232 600 H VAL 77 H VAL 77 13.954 -5.003 -3.218 601 HA VAL 77 HA VAL 77 15.935 -3.864 -1.564 602 HB VAL 77 HB VAL 77 12.874 -3.577 -1.459 603 1HG1 VAL 77 1HG1 VAL 77 13.933 -2.806 0.707 604 2HG1 VAL 77 2HG1 VAL 77 13.303 -1.445 -0.184 605 3HG1 VAL 77 3HG1 VAL 77 15.019 -1.791 -0.213 606 1HG2 VAL 77 1HG2 VAL 77 13.418 -1.436 -2.779 607 2HG2 VAL 77 2HG2 VAL 77 14.114 -2.792 -3.608 608 3HG2 VAL 77 3HG2 VAL 77 15.114 -1.777 -2.589 609 H GLU 78 H GLU 78 13.360 -6.016 -0.788 610 HA GLU 78 HA GLU 78 13.924 -6.225 1.992 611 1HB GLU 78 1HB GLU 78 11.890 -7.105 0.260 612 2HB GLU 78 2HB GLU 78 12.519 -8.597 0.904 613 1HG GLU 78 1HG GLU 78 11.726 -6.123 2.594 614 2HG GLU 78 2HG GLU 78 10.688 -7.519 2.353 615 H GLU 79 H GLU 79 14.699 -8.480 -0.693 616 HA GLU 79 HA GLU 79 16.137 -10.474 0.758 617 1HB GLU 79 1HB GLU 79 16.659 -9.285 -1.983 618 2HB GLU 79 2HB GLU 79 17.751 -10.501 -1.350 619 1HG GLU 79 1HG GLU 79 15.908 -12.183 -1.350 620 2HG GLU 79 2HG GLU 79 14.803 -10.951 -1.949 621 H LEU 80 H LEU 80 16.982 -7.467 -0.454 622 HA LEU 80 HA LEU 80 19.778 -7.271 0.300 623 1HB LEU 80 1HB LEU 80 17.678 -5.126 -0.277 624 2HB LEU 80 2HB LEU 80 19.326 -4.740 0.118 625 HG LEU 80 HG LEU 80 18.323 -6.230 -2.318 626 1HD1 LEU 80 1HD1 LEU 80 18.155 -3.723 -2.232 627 2HD1 LEU 80 2HD1 LEU 80 19.391 -4.249 -3.376 628 3HD1 LEU 80 3HD1 LEU 80 19.837 -3.642 -1.801 629 1HD2 LEU 80 1HD2 LEU 80 21.125 -5.635 -1.331 630 2HD2 LEU 80 2HD2 LEU 80 20.776 -6.215 -2.934 631 3HD2 LEU 80 3HD2 LEU 80 20.499 -7.257 -1.566 632 H LYS 81 H LYS 81 16.850 -6.000 1.732 633 HA LYS 81 HA LYS 81 17.939 -4.843 4.069 634 1HB LYS 81 1HB LYS 81 15.528 -4.900 3.089 635 2HB LYS 81 2HB LYS 81 15.302 -6.422 3.916 636 1HG LYS 81 1HG LYS 81 15.545 -5.390 6.064 637 2HG LYS 81 2HG LYS 81 16.225 -3.940 5.367 638 1HD LYS 81 1HD LYS 81 13.994 -3.560 4.143 639 2HD LYS 81 2HD LYS 81 13.350 -4.973 4.939 640 1HE LYS 81 1HE LYS 81 12.606 -3.004 6.174 641 2HE LYS 81 2HE LYS 81 13.794 -3.853 7.168 642 1HZ LYS 81 1HZ LYS 81 15.116 -2.097 7.097 643 2HZ LYS 81 2HZ LYS 81 14.037 -1.180 6.122 644 3HZ LYS 81 3HZ LYS 81 15.151 -2.129 5.414 645 H LYS 82 H LYS 82 16.850 -8.075 3.580 646 HA LYS 82 HA LYS 82 17.574 -9.167 6.076 647 1HB LYS 82 1HB LYS 82 17.227 -10.463 3.357 648 2HB LYS 82 2HB LYS 82 17.698 -11.430 4.735 649 1HG LYS 82 1HG LYS 82 15.624 -10.837 5.934 650 2HG LYS 82 2HG LYS 82 15.200 -9.724 4.627 651 1HD LYS 82 1HD LYS 82 15.013 -11.533 3.020 652 2HD LYS 82 2HD LYS 82 15.808 -12.672 4.077 653 1HE LYS 82 1HE LYS 82 13.321 -13.055 3.847 654 2HE LYS 82 2HE LYS 82 13.879 -12.857 5.504 655 1HZ LYS 82 1HZ LYS 82 12.127 -11.093 3.971 656 2HZ LYS 82 2HZ LYS 82 13.402 -10.311 4.524 657 3HZ LYS 82 3HZ LYS 82 12.408 -11.073 5.654 658 H LYS 83 H LYS 83 19.272 -8.859 3.198 659 HA LYS 83 HA LYS 83 21.707 -10.314 3.914 660 1HB LYS 83 1HB LYS 83 21.125 -8.309 1.712 661 2HB LYS 83 2HB LYS 83 22.709 -9.025 1.917 662 1HG LYS 83 1HG LYS 83 21.955 -11.197 1.413 663 2HG LYS 83 2HG LYS 83 20.281 -10.799 1.725 664 1HD LYS 83 1HD LYS 83 20.112 -9.437 -0.254 665 2HD LYS 83 2HD LYS 83 21.835 -9.447 -0.572 666 1HE LYS 83 1HE LYS 83 20.193 -11.985 -0.423 667 2HE LYS 83 2HE LYS 83 20.334 -11.074 -1.923 668 1HZ LYS 83 1HZ LYS 83 22.341 -11.823 -2.258 669 2HZ LYS 83 2HZ LYS 83 22.277 -12.861 -0.882 670 3HZ LYS 83 3HZ LYS 83 22.920 -11.267 -0.851 671 H TYR 84 H TYR 84 21.094 -6.834 3.771 672 HA TYR 84 HA TYR 84 23.709 -6.375 5.102 673 1HB TYR 84 1HB TYR 84 21.801 -4.442 3.677 674 2HB TYR 84 2HB TYR 84 23.430 -4.037 4.236 675 HD1 TYR 84 HD1 TYR 84 21.655 -5.413 1.355 676 HD2 TYR 84 HD2 TYR 84 25.300 -5.739 3.569 677 HE1 TYR 84 HE1 TYR 84 22.715 -6.556 -0.502 678 HE2 TYR 84 HE2 TYR 84 26.323 -6.867 1.627 679 HH TYR 84 HH TYR 84 24.471 -7.614 -1.259 680 H GLY 85 H GLY 85 20.289 -6.007 6.152 681 1HA GLY 85 1HA GLY 85 19.912 -5.911 8.483 682 2HA GLY 85 2HA GLY 85 21.437 -5.167 8.755 683 H ILE 86 H ILE 86 18.903 -3.663 6.570 684 HA ILE 86 HA ILE 86 18.733 -1.630 8.738 685 HB ILE 86 HB ILE 86 19.712 -1.031 6.401 686 1HG1 ILE 86 1HG1 ILE 86 17.147 0.298 7.242 687 2HG1 ILE 86 2HG1 ILE 86 18.624 0.546 8.149 688 1HG2 ILE 86 1HG2 ILE 86 18.050 -0.652 4.572 689 2HG2 ILE 86 2HG2 ILE 86 16.777 -1.232 5.616 690 3HG2 ILE 86 3HG2 ILE 86 17.999 -2.352 5.035 691 1HD1 ILE 86 1HD1 ILE 86 18.307 2.413 6.638 692 2HD1 ILE 86 2HD1 ILE 86 18.088 1.349 5.252 693 3HD1 ILE 86 3HD1 ILE 86 19.661 1.452 6.051 694 AH2 COA 1 AH2 COA 1 17.540 1.134 -7.852 695 AH61 COA 1 AH61 COA 1 17.009 5.206 -4.612 696 AH62 COA 1 AH62 COA 1 16.279 3.612 -4.491 697 AH8 COA 1 AH8 COA 1 19.913 7.143 -8.175 698 AH1* COA 1 AH1* COA 1 19.880 4.010 -10.580 699 AH2* COA 1 AH2* COA 1 20.556 6.986 -10.346 700 AHO2 COA 1 AHO2 COA 1 20.126 6.463 -12.740 701 AH3* COA 1 AH3* COA 1 22.416 6.636 -11.801 702 AH4* COA 1 AH4* COA 1 23.252 4.337 -10.646 703 AH51 COA 1 AH51 COA 1 24.007 6.656 -9.884 704 AH52 COA 1 AH52 COA 1 23.766 5.571 -8.556 705 1H12 COA 1 1H12 COA 1 24.494 9.250 -4.846 706 2H12 COA 1 2H12 COA 1 23.403 8.879 -3.583 707 1H13 COA 1 1H13 COA 1 26.128 6.117 -5.365 708 2H13 COA 1 2H13 COA 1 25.174 7.142 -6.458 709 3H13 COA 1 3H13 COA 1 26.364 7.857 -5.369 710 1H14 COA 1 1H14 COA 1 24.167 5.013 -4.595 711 2H14 COA 1 2H14 COA 1 23.167 6.029 -5.617 712 3H14 COA 1 3H14 COA 1 22.816 5.895 -3.903 713 H10 COA 1 H10 COA 1 25.863 6.184 -3.000 714 HO1 COA 1 HO1 COA 1 25.840 8.741 -3.719 715 HN8 COA 1 HN8 COA 1 25.117 5.342 -1.336 716 1H7 COA 1 1H7 COA 1 22.446 6.172 -0.194 717 2H7 COA 1 2H7 COA 1 23.087 4.534 -0.157 718 1H6 COA 1 1H6 COA 1 23.321 5.893 2.058 719 2H6 COA 1 2H6 COA 1 24.518 6.858 1.181 720 HN4 COA 1 HN4 COA 1 26.053 5.532 -0.008 721 1H3 COA 1 1H3 COA 1 28.117 4.399 0.798 722 2H3 COA 1 2H3 COA 1 27.078 3.299 1.710 723 1H2 COA 1 1H2 COA 1 27.777 2.220 -0.400 724 2H2 COA 1 2H2 COA 1 27.207 3.602 -1.292 725 1H2 PLY 2 1H2 PLY 2 24.088 2.494 -4.153 726 2H2 PLY 2 2H2 PLY 2 25.035 1.168 -3.536 727 1H3 PLY 2 1H3 PLY 2 23.199 0.139 -2.608 728 2H3 PLY 2 2H3 PLY 2 22.719 1.602 -1.778 729 1H4 PLY 2 1H4 PLY 2 21.033 0.606 -3.489 730 2H4 PLY 2 2H4 PLY 2 21.327 2.322 -3.650 731 1H5 PLY 2 1H5 PLY 2 22.750 1.827 -5.552 732 2H5 PLY 2 2H5 PLY 2 22.468 0.090 -5.378 733 1H6 PLY 2 1H6 PLY 2 19.955 0.678 -5.418 734 2H6 PLY 2 2H6 PLY 2 20.430 2.277 -5.939 735 1H7 PLY 2 1H7 PLY 2 19.828 0.655 -7.769 736 2H7 PLY 2 2H7 PLY 2 21.252 -0.239 -7.322 737 1H8 PLY 2 1H8 PLY 2 21.559 2.731 -7.942 738 2H8 PLY 2 2H8 PLY 2 21.292 1.654 -9.292 739 1H9 PLY 2 1H9 PLY 2 23.588 1.590 -7.308 740 2H9 PLY 2 2H9 PLY 2 23.249 0.261 -8.394 741 1HA PLY 2 1HA PLY 2 23.352 2.037 -10.276 742 2HA PLY 2 2HA PLY 2 23.866 3.157 -9.049 743 1HB PLY 2 1HB PLY 2 25.923 2.000 -8.617 744 2HB PLY 2 2HB PLY 2 25.796 2.188 -10.347 745 1HC PLY 2 1HC PLY 2 26.544 -0.091 -9.968 746 2HC PLY 2 2HC PLY 2 25.342 -0.365 -8.743 747 1HD PLY 2 1HD PLY 2 23.527 -0.263 -10.403 748 2HD PLY 2 2HD PLY 2 24.656 0.241 -11.635 749 1HE PLY 2 1HE PLY 2 23.933 -2.119 -11.716 750 2HE PLY 2 2HE PLY 2 24.736 -2.334 -10.166 751 1HF PLY 2 1HF PLY 2 26.925 -2.045 -11.092 752 2HF PLY 2 2HF PLY 2 26.327 -1.143 -12.504 753 1HG PLY 2 1HG PLY 2 27.068 -3.406 -13.101 754 2HG PLY 2 2HG PLY 2 25.903 -4.082 -11.971 755 3HG PLY 2 3HG PLY 2 25.348 -3.146 -13.364 Start of MODEL 6 1 1H SER 1 1H SER 1 5.725 5.685 -6.090 2 2H SER 1 2H SER 1 5.780 5.874 -7.780 3 H SER 1 H SER 1 5.085 7.062 -6.818 4 HA SER 1 HA SER 1 3.102 6.072 -7.111 5 1HB SER 1 1HB SER 1 4.536 3.809 -8.583 6 2HB SER 1 2HB SER 1 2.928 4.470 -8.898 7 HG SER 1 HG SER 1 3.970 5.965 -10.071 8 H GLN 2 H GLN 2 3.165 5.641 -4.731 9 HA GLN 2 HA GLN 2 1.932 4.170 -3.248 10 1HB GLN 2 1HB GLN 2 1.892 2.171 -4.822 11 2HB GLN 2 2HB GLN 2 3.568 1.857 -4.406 12 1HG GLN 2 1HG GLN 2 2.852 1.685 -1.903 13 2HG GLN 2 2HG GLN 2 1.198 1.845 -2.437 14 1HE2 GLN 2 1HE2 GLN 2 3.976 -0.354 -2.463 15 2HE2 GLN 2 2HE2 GLN 2 3.007 -1.694 -2.871 16 H ALA 3 H ALA 3 2.794 5.008 -1.488 17 HA ALA 3 HA ALA 3 5.254 5.522 -0.598 18 1HB ALA 3 1HB ALA 3 3.229 5.905 0.761 19 2HB ALA 3 2HB ALA 3 4.450 5.098 1.719 20 3HB ALA 3 3HB ALA 3 3.107 4.180 1.102 21 H GLU 4 H GLU 4 4.258 2.169 -0.777 22 HA GLU 4 HA GLU 4 6.484 1.281 0.833 23 1HB GLU 4 1HB GLU 4 4.204 0.081 -0.695 24 2HB GLU 4 2HB GLU 4 5.506 -0.985 -0.282 25 1HG GLU 4 1HG GLU 4 3.528 -0.793 1.454 26 2HG GLU 4 2HG GLU 4 5.113 -0.524 2.142 27 H PHE 5 H PHE 5 5.968 1.489 -2.475 28 HA PHE 5 HA PHE 5 8.509 0.197 -3.125 29 1HB PHE 5 1HB PHE 5 6.627 0.040 -4.686 30 2HB PHE 5 2HB PHE 5 6.344 1.753 -4.374 31 HD1 PHE 5 HD1 PHE 5 8.849 -0.664 -5.806 32 HD2 PHE 5 HD2 PHE 5 7.436 3.345 -5.811 33 HE1 PHE 5 HE1 PHE 5 10.440 -0.109 -7.611 34 HE2 PHE 5 HE2 PHE 5 9.022 3.898 -7.608 35 HZ PHE 5 HZ PHE 5 10.517 2.174 -8.499 36 H ASP 6 H ASP 6 7.090 3.521 -3.106 37 HA ASP 6 HA ASP 6 9.471 4.833 -3.830 38 1HB ASP 6 1HB ASP 6 6.986 5.586 -2.206 39 2HB ASP 6 2HB ASP 6 8.090 6.751 -2.852 40 H LYS 7 H LYS 7 8.102 4.128 -0.772 41 HA LYS 7 HA LYS 7 10.236 5.221 0.823 42 1HB LYS 7 1HB LYS 7 8.049 4.441 1.843 43 2HB LYS 7 2HB LYS 7 8.528 2.787 1.539 44 1HG LYS 7 1HG LYS 7 9.061 3.283 3.850 45 2HG LYS 7 2HG LYS 7 10.605 3.276 3.037 46 1HD LYS 7 1HD LYS 7 10.303 5.872 2.749 47 2HD LYS 7 2HD LYS 7 8.874 5.733 3.735 48 1HE LYS 7 1HE LYS 7 10.738 6.464 5.089 49 2HE LYS 7 2HE LYS 7 10.303 4.823 5.590 50 1HZ LYS 7 1HZ LYS 7 12.710 5.780 4.420 51 2HZ LYS 7 2HZ LYS 7 11.994 4.686 3.377 52 3HZ LYS 7 3HZ LYS 7 12.364 4.139 4.945 53 H ALA 8 H ALA 8 9.844 2.163 -0.767 54 HA ALA 8 HA ALA 8 12.049 0.732 0.438 55 1HB ALA 8 1HB ALA 8 10.928 0.483 -2.435 56 2HB ALA 8 2HB ALA 8 10.274 -0.318 -1.021 57 3HB ALA 8 3HB ALA 8 11.860 -0.729 -1.591 58 H ALA 9 H ALA 9 11.819 2.835 -2.548 59 HA ALA 9 HA ALA 9 14.478 2.835 -3.282 60 1HB ALA 9 1HB ALA 9 12.646 4.096 -4.403 61 2HB ALA 9 2HB ALA 9 14.029 5.150 -4.157 62 3HB ALA 9 3HB ALA 9 12.631 5.260 -3.099 63 H GLU 10 H GLU 10 13.057 4.812 -0.656 64 HA GLU 10 HA GLU 10 15.524 6.142 0.060 65 1HB GLU 10 1HB GLU 10 13.156 5.367 1.795 66 2HB GLU 10 2HB GLU 10 14.495 6.326 2.380 67 1HG GLU 10 1HG GLU 10 13.832 8.141 0.751 68 2HG GLU 10 2HG GLU 10 12.460 7.155 0.264 69 H GLU 11 H GLU 11 13.885 3.321 1.500 70 HA GLU 11 HA GLU 11 15.709 2.630 3.407 71 1HB GLU 11 1HB GLU 11 14.104 0.746 1.718 72 2HB GLU 11 2HB GLU 11 14.788 0.419 3.309 73 1HG GLU 11 1HG GLU 11 13.411 2.971 3.447 74 2HG GLU 11 2HG GLU 11 12.381 1.852 2.667 75 H VAL 12 H VAL 12 15.793 1.587 -0.073 76 HA VAL 12 HA VAL 12 18.199 0.068 0.255 77 HB VAL 12 HB VAL 12 16.216 -0.057 -1.456 78 1HG1 VAL 12 1HG1 VAL 12 16.475 2.168 -2.475 79 2HG1 VAL 12 2HG1 VAL 12 16.678 0.906 -3.654 80 3HG1 VAL 12 3HG1 VAL 12 18.080 1.771 -3.062 81 1HG2 VAL 12 1HG2 VAL 12 18.172 -1.593 -1.405 82 2HG2 VAL 12 2HG2 VAL 12 19.143 -0.410 -2.277 83 3HG2 VAL 12 3HG2 VAL 12 17.799 -1.208 -3.068 84 H LYS 13 H LYS 13 17.461 3.399 -0.931 85 HA LYS 13 HA LYS 13 20.113 3.998 -1.795 86 1HB LYS 13 1HB LYS 13 17.681 5.547 -0.756 87 2HB LYS 13 2HB LYS 13 19.145 6.370 -1.173 88 1HG LYS 13 1HG LYS 13 18.451 4.421 -3.279 89 2HG LYS 13 2HG LYS 13 17.098 5.484 -2.979 90 1HD LYS 13 1HD LYS 13 19.871 6.716 -3.221 91 2HD LYS 13 2HD LYS 13 19.119 6.181 -4.687 92 1HE LYS 13 1HE LYS 13 17.138 7.633 -4.161 93 2HE LYS 13 2HE LYS 13 17.972 8.165 -2.689 94 1HZ LYS 13 1HZ LYS 13 19.292 9.557 -3.998 95 2HZ LYS 13 2HZ LYS 13 18.537 9.018 -5.431 96 3HZ LYS 13 3HZ LYS 13 19.819 8.265 -4.802 97 H HIS 14 H HIS 14 18.731 3.501 1.179 98 HA HIS 14 HA HIS 14 20.969 4.700 2.761 99 1HB HIS 14 1HB HIS 14 18.399 3.302 3.627 100 2HB HIS 14 2HB HIS 14 19.638 3.771 4.777 101 HD1 HIS 14 HD1 HIS 14 16.873 5.066 2.932 102 HD2 HIS 14 HD2 HIS 14 20.029 6.658 4.941 103 HE1 HIS 14 HE1 HIS 14 16.319 7.499 3.329 104 H LEU 15 H LEU 15 20.742 1.909 1.175 105 HA LEU 15 HA LEU 15 21.560 -0.186 2.966 106 1HB LEU 15 1HB LEU 15 22.378 0.279 0.073 107 2HB LEU 15 2HB LEU 15 22.920 -1.114 0.985 108 HG LEU 15 HG LEU 15 19.985 -0.598 0.601 109 1HD1 LEU 15 1HD1 LEU 15 21.977 -2.260 -0.961 110 2HD1 LEU 15 2HD1 LEU 15 21.138 -0.833 -1.579 111 3HD1 LEU 15 3HD1 LEU 15 20.241 -2.298 -1.212 112 1HD2 LEU 15 1HD2 LEU 15 21.611 -3.157 1.188 113 2HD2 LEU 15 2HD2 LEU 15 19.863 -3.058 1.177 114 3HD2 LEU 15 3HD2 LEU 15 20.773 -2.264 2.424 115 H LYS 16 H LYS 16 23.206 -0.071 4.393 116 HA LYS 16 HA LYS 16 25.289 1.919 4.272 117 1HB LYS 16 1HB LYS 16 25.366 -0.809 5.701 118 2HB LYS 16 2HB LYS 16 26.549 0.459 5.929 119 1HG LYS 16 1HG LYS 16 24.725 2.004 6.767 120 2HG LYS 16 2HG LYS 16 23.580 0.677 6.650 121 1HD LYS 16 1HD LYS 16 24.959 -0.669 8.271 122 2HD LYS 16 2HD LYS 16 26.174 0.593 8.306 123 1HE LYS 16 1HE LYS 16 24.516 2.161 9.353 124 2HE LYS 16 2HE LYS 16 23.313 0.880 9.360 125 1HZ LYS 16 1HZ LYS 16 25.359 1.328 11.265 126 2HZ LYS 16 2HZ LYS 16 25.694 -0.136 10.489 127 3HZ LYS 16 3HZ LYS 16 24.215 0.080 11.266 128 H THR 17 H THR 17 24.890 -0.922 2.704 129 HA THR 17 HA THR 17 27.590 -0.708 1.377 130 HB THR 17 HB THR 17 26.211 -3.266 2.348 131 HG1 THR 17 HG1 THR 17 27.995 -1.384 3.267 132 1HG2 THR 17 1HG2 THR 17 28.362 -4.327 1.756 133 2HG2 THR 17 2HG2 THR 17 29.012 -2.809 1.159 134 3HG2 THR 17 3HG2 THR 17 27.733 -3.643 0.269 135 H LYS 18 H LYS 18 27.785 -1.258 -0.792 136 HA LYS 18 HA LYS 18 25.418 -0.997 -2.432 137 1HB LYS 18 1HB LYS 18 28.047 -1.529 -3.687 138 2HB LYS 18 2HB LYS 18 26.943 -0.203 -4.007 139 1HG LYS 18 1HG LYS 18 28.747 0.992 -3.132 140 2HG LYS 18 2HG LYS 18 27.884 0.695 -1.644 141 1HD LYS 18 1HD LYS 18 30.018 -0.058 -1.031 142 2HD LYS 18 2HD LYS 18 29.400 -1.577 -1.682 143 1HE LYS 18 1HE LYS 18 30.452 -1.212 -3.825 144 2HE LYS 18 2HE LYS 18 30.940 0.417 -3.381 145 1HZ LYS 18 1HZ LYS 18 32.334 -1.984 -2.864 146 2HZ LYS 18 2HZ LYS 18 31.739 -1.389 -1.388 147 3HZ LYS 18 3HZ LYS 18 32.777 -0.427 -2.352 148 HA PRO 19 HA PRO 19 25.612 -5.553 -2.039 149 1HB PRO 19 1HB PRO 19 23.287 -5.219 -3.962 150 2HB PRO 19 2HB PRO 19 23.448 -6.282 -2.579 151 1HG PRO 19 1HG PRO 19 22.067 -4.054 -2.178 152 2HG PRO 19 2HG PRO 19 23.400 -4.293 -1.044 153 1HD PRO 19 1HD PRO 19 23.574 -2.706 -3.633 154 2HD PRO 19 2HD PRO 19 23.853 -2.134 -1.969 155 H ALA 20 H ALA 20 25.315 -7.389 -3.922 156 HA ALA 20 HA ALA 20 27.633 -6.963 -5.643 157 1HB ALA 20 1HB ALA 20 27.092 -9.331 -6.341 158 2HB ALA 20 2HB ALA 20 25.562 -9.215 -5.480 159 3HB ALA 20 3HB ALA 20 27.077 -9.163 -4.592 160 H ASP 21 H ASP 21 27.626 -6.800 -8.007 161 HA ASP 21 HA ASP 21 25.847 -5.111 -9.181 162 1HB ASP 21 1HB ASP 21 26.983 -7.553 -10.742 163 2HB ASP 21 2HB ASP 21 26.590 -5.960 -11.367 164 H GLU 22 H GLU 22 25.418 -8.606 -9.717 165 HA GLU 22 HA GLU 22 22.999 -8.457 -10.983 166 1HB GLU 22 1HB GLU 22 23.842 -10.430 -8.747 167 2HB GLU 22 2HB GLU 22 22.320 -10.682 -9.559 168 1HG GLU 22 1HG GLU 22 23.582 -10.934 -11.747 169 2HG GLU 22 2HG GLU 22 25.094 -10.794 -10.866 170 H GLU 23 H GLU 23 23.331 -8.226 -7.470 171 HA GLU 23 HA GLU 23 20.531 -7.861 -6.902 172 1HB GLU 23 1HB GLU 23 23.111 -7.070 -5.302 173 2HB GLU 23 2HB GLU 23 21.536 -6.984 -4.636 174 1HG GLU 23 1HG GLU 23 21.360 -9.538 -4.969 175 2HG GLU 23 2HG GLU 23 22.965 -9.520 -5.664 176 H MET 24 H MET 24 23.234 -5.532 -7.103 177 HA MET 24 HA MET 24 21.975 -3.083 -6.973 178 1HB MET 24 1HB MET 24 24.207 -4.085 -8.809 179 2HB MET 24 2HB MET 24 23.934 -2.404 -8.556 180 1HG MET 24 1HG MET 24 24.482 -4.323 -6.281 181 2HG MET 24 2HG MET 24 25.751 -3.501 -7.115 182 1HE MET 24 1HE MET 24 26.081 -0.282 -6.139 183 2HE MET 24 2HE MET 24 24.546 -0.098 -7.029 184 3HE MET 24 3HE MET 24 25.773 -1.249 -7.561 185 H LEU 25 H LEU 25 22.654 -4.774 -9.898 186 HA LEU 25 HA LEU 25 21.239 -3.596 -11.861 187 1HB LEU 25 1HB LEU 25 22.013 -6.415 -11.178 188 2HB LEU 25 2HB LEU 25 21.153 -6.189 -12.625 189 HG LEU 25 HG LEU 25 23.938 -5.356 -11.835 190 1HD1 LEU 25 1HD1 LEU 25 22.712 -6.720 -14.237 191 2HD1 LEU 25 2HD1 LEU 25 23.492 -7.512 -12.866 192 3HD1 LEU 25 3HD1 LEU 25 24.435 -6.510 -13.947 193 1HD2 LEU 25 1HD2 LEU 25 22.923 -3.285 -12.923 194 2HD2 LEU 25 2HD2 LEU 25 22.398 -4.276 -14.277 195 3HD2 LEU 25 3HD2 LEU 25 24.105 -4.027 -13.967 196 H PHE 26 H PHE 26 20.002 -6.155 -9.723 197 HA PHE 26 HA PHE 26 17.375 -6.278 -10.885 198 1HB PHE 26 1HB PHE 26 18.434 -7.938 -9.294 199 2HB PHE 26 2HB PHE 26 18.198 -6.809 -7.985 200 HD1 PHE 26 HD1 PHE 26 15.567 -5.760 -8.097 201 HD2 PHE 26 HD2 PHE 26 16.850 -9.629 -9.358 202 HE1 PHE 26 HE1 PHE 26 13.304 -6.597 -7.839 203 HE2 PHE 26 HE2 PHE 26 14.553 -10.465 -9.072 204 HZ PHE 26 HZ PHE 26 12.769 -8.939 -8.297 205 H ILE 27 H ILE 27 18.558 -4.581 -8.005 206 HA ILE 27 HA ILE 27 16.171 -3.093 -7.486 207 HB ILE 27 HB ILE 27 19.105 -2.805 -6.915 208 1HG1 ILE 27 1HG1 ILE 27 17.657 -4.423 -5.749 209 2HG1 ILE 27 2HG1 ILE 27 18.432 -3.259 -4.670 210 1HG2 ILE 27 1HG2 ILE 27 17.130 -0.682 -6.019 211 2HG2 ILE 27 2HG2 ILE 27 18.498 -0.461 -7.097 212 3HG2 ILE 27 3HG2 ILE 27 18.753 -0.872 -5.420 213 1HD1 ILE 27 1HD1 ILE 27 16.044 -3.665 -4.064 214 2HD1 ILE 27 2HD1 ILE 27 15.477 -3.152 -5.630 215 3HD1 ILE 27 3HD1 ILE 27 16.246 -2.000 -4.555 216 H TYR 28 H TYR 28 18.972 -1.996 -9.379 217 HA TYR 28 HA TYR 28 17.848 0.469 -10.261 218 1HB TYR 28 1HB TYR 28 20.230 -0.222 -10.543 219 2HB TYR 28 2HB TYR 28 19.756 -1.379 -11.776 220 HD1 TYR 28 HD1 TYR 28 19.212 -0.610 -14.065 221 HD2 TYR 28 HD2 TYR 28 19.841 2.197 -10.894 222 HE1 TYR 28 HE1 TYR 28 19.256 1.243 -15.671 223 HE2 TYR 28 HE2 TYR 28 19.870 4.012 -12.562 224 HH TYR 28 HH TYR 28 20.485 4.102 -15.111 225 H SER 29 H SER 29 17.856 -2.630 -12.046 226 HA SER 29 HA SER 29 16.285 -1.951 -14.224 227 1HB SER 29 1HB SER 29 15.711 -4.497 -14.262 228 2HB SER 29 2HB SER 29 17.428 -4.197 -13.971 229 HG SER 29 HG SER 29 17.122 -4.433 -11.843 230 H HIS 30 H HIS 30 15.139 -3.537 -11.340 231 HA HIS 30 HA HIS 30 12.357 -3.350 -11.844 232 1HB HIS 30 1HB HIS 30 14.077 -3.626 -9.356 233 2HB HIS 30 2HB HIS 30 12.320 -3.660 -9.262 234 HD1 HIS 30 HD1 HIS 30 14.984 -5.382 -11.391 235 HD2 HIS 30 HD2 HIS 30 11.238 -5.975 -9.912 236 HE1 HIS 30 HE1 HIS 30 14.334 -7.678 -12.048 237 H TYR 31 H TYR 31 14.360 -1.076 -9.861 238 HA TYR 31 HA TYR 31 12.455 0.777 -9.220 239 1HB TYR 31 1HB TYR 31 14.808 0.632 -8.525 240 2HB TYR 31 2HB TYR 31 15.337 1.176 -10.070 241 HD1 TYR 31 HD1 TYR 31 15.832 3.324 -10.278 242 HD2 TYR 31 HD2 TYR 31 12.968 2.303 -7.342 243 HE1 TYR 31 HE1 TYR 31 15.721 5.707 -9.558 244 HE2 TYR 31 HE2 TYR 31 12.852 4.666 -6.636 245 HH TYR 31 HH TYR 31 13.504 6.812 -7.193 246 H LYS 32 H LYS 32 14.562 0.844 -12.061 247 HA LYS 32 HA LYS 32 13.508 3.054 -13.419 248 1HB LYS 32 1HB LYS 32 14.756 0.460 -14.357 249 2HB LYS 32 2HB LYS 32 14.451 1.844 -15.401 250 1HG LYS 32 1HG LYS 32 16.040 2.055 -12.839 251 2HG LYS 32 2HG LYS 32 16.785 1.677 -14.372 252 1HD LYS 32 1HD LYS 32 16.369 3.815 -15.307 253 2HD LYS 32 2HD LYS 32 15.020 4.179 -14.247 254 1HE LYS 32 1HE LYS 32 16.378 4.866 -12.547 255 2HE LYS 32 2HE LYS 32 17.558 3.631 -12.856 256 1HZ LYS 32 1HZ LYS 32 17.584 5.460 -15.039 257 2HZ LYS 32 2HZ LYS 32 18.823 5.125 -14.031 258 3HZ LYS 32 3HZ LYS 32 17.824 6.319 -13.577 259 H GLN 33 H GLN 33 12.429 -0.257 -13.749 260 HA GLN 33 HA GLN 33 10.340 0.492 -15.662 261 1HB GLN 33 1HB GLN 33 11.399 -1.954 -14.628 262 2HB GLN 33 2HB GLN 33 9.727 -1.953 -14.089 263 1HG GLN 33 1HG GLN 33 10.632 -1.237 -16.854 264 2HG GLN 33 2HG GLN 33 10.061 -2.840 -16.465 265 1HE2 GLN 33 1HE2 GLN 33 8.399 -2.367 -18.239 266 2HE2 GLN 33 2HE2 GLN 33 6.956 -1.569 -17.746 267 H ALA 34 H ALA 34 10.127 -0.539 -12.239 268 HA ALA 34 HA ALA 34 7.527 0.070 -11.649 269 1HB ALA 34 1HB ALA 34 9.215 -0.949 -10.140 270 2HB ALA 34 2HB ALA 34 8.434 0.414 -9.345 271 3HB ALA 34 3HB ALA 34 10.050 0.585 -10.023 272 H THR 35 H THR 35 10.036 2.483 -12.280 273 HA THR 35 HA THR 35 8.147 4.708 -11.659 274 HB THR 35 HB THR 35 10.197 6.176 -11.302 275 HG1 THR 35 HG1 THR 35 11.564 3.762 -11.692 276 1HG2 THR 35 1HG2 THR 35 10.641 3.476 -10.004 277 2HG2 THR 35 2HG2 THR 35 9.503 4.669 -9.398 278 3HG2 THR 35 3HG2 THR 35 11.217 5.039 -9.444 279 H VAL 36 H VAL 36 10.810 4.051 -14.018 280 HA VAL 36 HA VAL 36 9.825 6.244 -15.732 281 HB VAL 36 HB VAL 36 12.177 4.281 -16.215 282 1HG1 VAL 36 1HG1 VAL 36 11.403 6.884 -17.627 283 2HG1 VAL 36 2HG1 VAL 36 11.256 5.297 -18.350 284 3HG1 VAL 36 3HG1 VAL 36 12.836 5.933 -17.952 285 1HG2 VAL 36 1HG2 VAL 36 12.094 7.176 -15.261 286 2HG2 VAL 36 2HG2 VAL 36 13.548 6.241 -15.529 287 3HG2 VAL 36 3HG2 VAL 36 12.461 5.810 -14.218 288 H GLY 37 H GLY 37 10.214 2.799 -16.243 289 1HA GLY 37 1HA GLY 37 8.380 1.488 -17.340 290 2HA GLY 37 2HA GLY 37 8.036 2.886 -18.347 291 H ASP 38 H ASP 38 8.153 1.715 -20.224 292 HA ASP 38 HA ASP 38 10.122 -0.068 -21.012 293 1HB ASP 38 1HB ASP 38 8.041 1.634 -22.378 294 2HB ASP 38 2HB ASP 38 9.154 0.787 -23.419 295 H ILE 39 H ILE 39 12.114 0.715 -20.433 296 HA ILE 39 HA ILE 39 13.754 2.690 -20.710 297 HB ILE 39 HB ILE 39 14.296 0.143 -20.532 298 1HG1 ILE 39 1HG1 ILE 39 16.395 1.602 -22.186 299 2HG1 ILE 39 2HG1 ILE 39 16.023 2.136 -20.565 300 1HG2 ILE 39 1HG2 ILE 39 13.622 -0.519 -22.901 301 2HG2 ILE 39 2HG2 ILE 39 15.266 -0.950 -22.534 302 3HG2 ILE 39 3HG2 ILE 39 14.960 0.430 -23.518 303 1HD1 ILE 39 1HD1 ILE 39 17.902 0.439 -20.500 304 2HD1 ILE 39 2HD1 ILE 39 16.913 -0.709 -21.357 305 3HD1 ILE 39 3HD1 ILE 39 16.497 -0.217 -19.734 306 H ASN 40 H ASN 40 13.378 4.595 -22.038 307 HA ASN 40 HA ASN 40 13.124 4.075 -24.930 308 1HB ASN 40 1HB ASN 40 12.337 6.464 -24.877 309 2HB ASN 40 2HB ASN 40 11.410 5.431 -23.802 310 1HD2 ASN 40 1HD2 ASN 40 14.648 6.531 -22.737 311 2HD2 ASN 40 2HD2 ASN 40 13.956 7.599 -21.604 312 H THR 41 H THR 41 15.563 3.798 -23.387 313 HA THR 41 HA THR 41 17.361 5.693 -24.858 314 HB THR 41 HB THR 41 18.831 5.792 -22.918 315 HG1 THR 41 HG1 THR 41 19.189 3.940 -21.956 316 1HG2 THR 41 1HG2 THR 41 16.240 4.957 -21.496 317 2HG2 THR 41 2HG2 THR 41 16.506 6.605 -22.074 318 3HG2 THR 41 3HG2 THR 41 17.539 5.925 -20.832 319 H GLU 42 H GLU 42 19.397 4.690 -25.540 320 HA GLU 42 HA GLU 42 19.029 1.829 -26.254 321 1HB GLU 42 1HB GLU 42 20.494 2.286 -28.153 322 2HB GLU 42 2HB GLU 42 19.415 3.647 -28.036 323 1HG GLU 42 1HG GLU 42 21.252 4.952 -26.817 324 2HG GLU 42 2HG GLU 42 22.327 3.592 -27.064 325 H ARG 43 H ARG 43 21.128 0.578 -26.457 326 HA ARG 43 HA ARG 43 22.196 0.101 -24.016 327 1HB ARG 43 1HB ARG 43 22.012 -1.166 -26.115 328 2HB ARG 43 2HB ARG 43 23.568 -0.506 -26.625 329 1HG ARG 43 1HG ARG 43 24.716 -1.729 -24.946 330 2HG ARG 43 2HG ARG 43 23.332 -1.784 -23.876 331 1HD ARG 43 1HD ARG 43 22.170 -3.256 -25.660 332 2HD ARG 43 2HD ARG 43 23.759 -3.445 -26.392 333 HE ARG 43 HE ARG 43 23.223 -4.055 -23.474 334 1HH1 ARG 43 1HH1 ARG 43 25.512 -4.415 -25.655 335 2HH1 ARG 43 2HH1 ARG 43 25.785 -6.128 -25.439 336 1HH2 ARG 43 1HH2 ARG 43 22.929 -6.151 -23.385 337 2HH2 ARG 43 2HH2 ARG 43 24.175 -7.192 -23.952 338 HA PRO 44 HA PRO 44 24.879 3.565 -22.983 339 1HB PRO 44 1HB PRO 44 26.394 1.965 -21.110 340 2HB PRO 44 2HB PRO 44 25.005 2.999 -20.765 341 1HG PRO 44 1HG PRO 44 25.090 0.051 -21.431 342 2HG PRO 44 2HG PRO 44 24.062 0.933 -20.267 343 1HD PRO 44 1HD PRO 44 23.129 0.052 -22.443 344 2HD PRO 44 2HD PRO 44 22.596 1.677 -21.980 345 H GLY 45 H GLY 45 26.874 0.799 -23.158 346 1HA GLY 45 1HA GLY 45 29.114 0.505 -24.028 347 2HA GLY 45 2HA GLY 45 28.585 1.593 -25.297 348 H MET 46 H MET 46 28.991 2.268 -21.927 349 HA MET 46 HA MET 46 30.889 4.499 -22.509 350 1HB MET 46 1HB MET 46 29.095 3.809 -20.147 351 2HB MET 46 2HB MET 46 30.312 5.078 -20.049 352 1HG MET 46 1HG MET 46 28.108 4.945 -22.143 353 2HG MET 46 2HG MET 46 28.073 5.958 -20.729 354 1HE MET 46 1HE MET 46 29.353 6.945 -24.748 355 2HE MET 46 2HE MET 46 28.772 5.424 -24.146 356 3HE MET 46 3HE MET 46 30.512 5.709 -24.243 357 H LEU 47 H LEU 47 30.666 1.745 -20.270 358 HA LEU 47 HA LEU 47 33.678 1.828 -20.047 359 1HB LEU 47 1HB LEU 47 31.663 0.741 -17.970 360 2HB LEU 47 2HB LEU 47 33.402 0.614 -17.884 361 HG LEU 47 HG LEU 47 32.944 2.352 -16.417 362 1HD1 LEU 47 1HD1 LEU 47 33.781 4.436 -17.411 363 2HD1 LEU 47 2HD1 LEU 47 33.548 3.798 -19.021 364 3HD1 LEU 47 3HD1 LEU 47 34.715 3.051 -17.941 365 1HD2 LEU 47 1HD2 LEU 47 30.960 3.502 -18.389 366 2HD2 LEU 47 2HD2 LEU 47 31.405 4.226 -16.844 367 3HD2 LEU 47 3HD2 LEU 47 30.595 2.664 -16.884 368 H ASP 48 H ASP 48 30.879 -0.035 -19.783 369 HA ASP 48 HA ASP 48 30.492 -1.780 -21.645 370 1HB ASP 48 1HB ASP 48 33.006 -2.553 -21.432 371 2HB ASP 48 2HB ASP 48 32.546 -3.357 -19.942 372 H PHE 49 H PHE 49 31.531 -2.692 -18.398 373 HA PHE 49 HA PHE 49 29.280 -4.231 -17.648 374 1HB PHE 49 1HB PHE 49 30.284 -4.238 -15.393 375 2HB PHE 49 2HB PHE 49 31.544 -4.284 -16.590 376 HD1 PHE 49 HD1 PHE 49 32.799 -1.934 -17.104 377 HD2 PHE 49 HD2 PHE 49 30.292 -2.660 -13.726 378 HE1 PHE 49 HE1 PHE 49 33.765 -0.010 -15.944 379 HE2 PHE 49 HE2 PHE 49 31.241 -0.739 -12.584 380 HZ PHE 49 HZ PHE 49 32.993 0.612 -13.696 381 H LYS 50 H LYS 50 29.712 -1.558 -15.588 382 HA LYS 50 HA LYS 50 27.339 -1.102 -14.485 383 1HB LYS 50 1HB LYS 50 29.127 0.342 -13.920 384 2HB LYS 50 2HB LYS 50 29.392 0.847 -15.571 385 1HG LYS 50 1HG LYS 50 27.301 2.192 -15.501 386 2HG LYS 50 2HG LYS 50 26.943 1.563 -13.892 387 1HD LYS 50 1HD LYS 50 28.419 2.997 -12.861 388 2HD LYS 50 2HD LYS 50 29.654 2.783 -14.078 389 1HE LYS 50 1HE LYS 50 28.815 5.132 -13.920 390 2HE LYS 50 2HE LYS 50 28.573 4.448 -15.514 391 1HZ LYS 50 1HZ LYS 50 26.297 3.779 -13.992 392 2HZ LYS 50 2HZ LYS 50 26.360 4.856 -15.285 393 3HZ LYS 50 3HZ LYS 50 26.577 5.419 -13.713 394 H GLY 51 H GLY 51 28.219 0.153 -17.429 395 1HA GLY 51 1HA GLY 51 25.713 1.376 -18.221 396 2HA GLY 51 2HA GLY 51 27.045 1.018 -19.333 397 H LYS 52 H LYS 52 27.148 -1.276 -20.252 398 HA LYS 52 HA LYS 52 24.655 -2.089 -21.161 399 1HB LYS 52 1HB LYS 52 27.148 -3.700 -20.529 400 2HB LYS 52 2HB LYS 52 25.763 -4.443 -21.291 401 1HG LYS 52 1HG LYS 52 25.992 -3.302 -23.292 402 2HG LYS 52 2HG LYS 52 26.610 -1.866 -22.534 403 1HD LYS 52 1HD LYS 52 28.435 -3.034 -23.807 404 2HD LYS 52 2HD LYS 52 28.694 -2.941 -22.069 405 1HE LYS 52 1HE LYS 52 28.149 -5.286 -21.732 406 2HE LYS 52 2HE LYS 52 27.454 -5.436 -23.339 407 1HZ LYS 52 1HZ LYS 52 29.563 -6.087 -24.073 408 2HZ LYS 52 2HZ LYS 52 30.170 -5.798 -22.516 409 3HZ LYS 52 3HZ LYS 52 30.158 -4.589 -23.595 410 H ALA 53 H ALA 53 25.964 -3.146 -18.177 411 HA ALA 53 HA ALA 53 23.937 -5.103 -17.751 412 1HB ALA 53 1HB ALA 53 26.234 -5.118 -16.641 413 2HB ALA 53 2HB ALA 53 25.039 -5.120 -15.371 414 3HB ALA 53 3HB ALA 53 25.872 -3.634 -15.784 415 H LYS 54 H LYS 54 24.291 -1.702 -16.136 416 HA LYS 54 HA LYS 54 21.692 -1.940 -15.085 417 1HB LYS 54 1HB LYS 54 23.305 0.413 -16.035 418 2HB LYS 54 2HB LYS 54 21.799 0.523 -15.167 419 1HG LYS 54 1HG LYS 54 22.811 -0.886 -13.279 420 2HG LYS 54 2HG LYS 54 24.318 -0.921 -14.183 421 1HD LYS 54 1HD LYS 54 24.540 0.869 -12.666 422 2HD LYS 54 2HD LYS 54 24.326 1.466 -14.303 423 1HE LYS 54 1HE LYS 54 21.850 1.875 -13.813 424 2HE LYS 54 2HE LYS 54 22.107 1.248 -12.195 425 1HZ LYS 54 1HZ LYS 54 23.935 3.289 -12.464 426 2HZ LYS 54 2HZ LYS 54 22.388 3.548 -11.725 427 3HZ LYS 54 3HZ LYS 54 22.617 3.786 -13.347 428 H TRP 55 H TRP 55 22.590 -1.408 -18.593 429 HA TRP 55 HA TRP 55 19.925 -0.306 -19.051 430 1HB TRP 55 1HB TRP 55 22.142 0.030 -20.388 431 2HB TRP 55 2HB TRP 55 21.858 -1.522 -21.112 432 HD1 TRP 55 HD1 TRP 55 20.239 2.007 -20.884 433 HE1 TRP 55 HE1 TRP 55 18.555 2.137 -22.759 434 HE3 TRP 55 HE3 TRP 55 20.441 -2.761 -22.558 435 HZ2 TRP 55 HZ2 TRP 55 17.411 0.387 -24.818 436 HZ3 TRP 55 HZ3 TRP 55 19.083 -3.520 -24.443 437 HH2 TRP 55 HH2 TRP 55 17.541 -1.941 -25.571 438 H ASP 56 H ASP 56 21.653 -3.325 -20.298 439 HA ASP 56 HA ASP 56 19.672 -4.861 -21.032 440 1HB ASP 56 1HB ASP 56 22.275 -5.187 -19.604 441 2HB ASP 56 2HB ASP 56 21.425 -6.601 -19.626 442 H ALA 57 H ALA 57 20.767 -4.823 -17.707 443 HA ALA 57 HA ALA 57 18.829 -6.443 -16.584 444 1HB ALA 57 1HB ALA 57 19.457 -5.283 -14.449 445 2HB ALA 57 2HB ALA 57 20.153 -3.963 -15.374 446 3HB ALA 57 3HB ALA 57 20.873 -5.554 -15.470 447 H TRP 58 H TRP 58 18.581 -2.907 -17.206 448 HA TRP 58 HA TRP 58 15.812 -2.957 -16.130 449 1HB TRP 58 1HB TRP 58 17.114 -0.847 -15.842 450 2HB TRP 58 2HB TRP 58 17.401 -0.780 -17.572 451 HD1 TRP 58 HD1 TRP 58 13.854 -1.778 -16.295 452 HE1 TRP 58 HE1 TRP 58 12.359 0.152 -17.005 453 HE3 TRP 58 HE3 TRP 58 17.245 1.542 -17.783 454 HZ2 TRP 58 HZ2 TRP 58 12.495 2.803 -18.070 455 HZ3 TRP 58 HZ3 TRP 58 16.580 3.822 -18.659 456 HH2 TRP 58 HH2 TRP 58 14.213 4.422 -18.789 457 H ASN 59 H ASN 59 17.238 -2.983 -19.549 458 HA ASN 59 HA ASN 59 14.894 -2.573 -20.946 459 1HB ASN 59 1HB ASN 59 17.278 -2.802 -21.936 460 2HB ASN 59 2HB ASN 59 17.189 -4.527 -21.627 461 1HD2 ASN 59 1HD2 ASN 59 16.130 -5.783 -23.174 462 2HD2 ASN 59 2HD2 ASN 59 15.263 -5.108 -24.479 463 H GLU 60 H GLU 60 16.198 -5.475 -19.275 464 HA GLU 60 HA GLU 60 14.561 -7.444 -20.183 465 1HB GLU 60 1HB GLU 60 15.666 -6.802 -17.426 466 2HB GLU 60 2HB GLU 60 14.738 -8.263 -17.682 467 1HG GLU 60 1HG GLU 60 17.202 -7.604 -19.369 468 2HG GLU 60 2HG GLU 60 17.279 -8.542 -17.889 469 H LEU 61 H LEU 61 13.417 -4.772 -18.367 470 HA LEU 61 HA LEU 61 10.830 -6.147 -17.896 471 1HB LEU 61 1HB LEU 61 11.952 -3.646 -16.576 472 2HB LEU 61 2HB LEU 61 10.629 -4.672 -16.001 473 HG LEU 61 HG LEU 61 13.580 -5.416 -16.081 474 1HD1 LEU 61 1HD1 LEU 61 12.945 -3.790 -14.325 475 2HD1 LEU 61 2HD1 LEU 61 13.325 -5.356 -13.625 476 3HD1 LEU 61 3HD1 LEU 61 11.646 -4.854 -13.795 477 1HD2 LEU 61 1HD2 LEU 61 12.854 -7.450 -14.914 478 2HD2 LEU 61 2HD2 LEU 61 12.089 -7.340 -16.485 479 3HD2 LEU 61 3HD2 LEU 61 11.156 -6.980 -15.036 480 H LYS 62 H LYS 62 12.015 -4.387 -20.401 481 HA LYS 62 HA LYS 62 10.237 -2.181 -20.495 482 1HB LYS 62 1HB LYS 62 12.604 -2.739 -21.692 483 2HB LYS 62 2HB LYS 62 11.617 -3.689 -22.792 484 1HG LYS 62 1HG LYS 62 10.139 -1.404 -22.755 485 2HG LYS 62 2HG LYS 62 11.687 -0.716 -22.366 486 1HD LYS 62 1HD LYS 62 11.615 -0.518 -24.724 487 2HD LYS 62 2HD LYS 62 12.627 -1.917 -24.439 488 1HE LYS 62 1HE LYS 62 11.000 -2.426 -26.204 489 2HE LYS 62 2HE LYS 62 10.673 -3.419 -24.786 490 1HZ LYS 62 1HZ LYS 62 9.262 -0.992 -24.415 491 2HZ LYS 62 2HZ LYS 62 8.641 -2.445 -24.577 492 3HZ LYS 62 3HZ LYS 62 8.922 -1.538 -25.991 493 H GLY 63 H GLY 63 8.116 -2.442 -20.801 494 1HA GLY 63 1HA GLY 63 6.149 -3.395 -21.965 495 2HA GLY 63 2HA GLY 63 7.068 -4.871 -22.253 496 H THR 64 H THR 64 7.472 -3.785 -19.110 497 HA THR 64 HA THR 64 5.636 -5.880 -18.050 498 HB THR 64 HB THR 64 8.115 -4.478 -16.960 499 HG1 THR 64 HG1 THR 64 7.730 -6.642 -18.036 500 1HG2 THR 64 1HG2 THR 64 6.228 -6.146 -15.237 501 2HG2 THR 64 2HG2 THR 64 6.455 -4.416 -14.998 502 3HG2 THR 64 3HG2 THR 64 7.790 -5.520 -14.775 503 H SER 65 H SER 65 4.379 -5.464 -16.186 504 HA SER 65 HA SER 65 3.072 -2.789 -16.286 505 1HB SER 65 1HB SER 65 2.260 -5.233 -14.609 506 2HB SER 65 2HB SER 65 1.375 -3.721 -14.904 507 HG SER 65 HG SER 65 1.204 -5.900 -16.424 508 H LYS 66 H LYS 66 4.174 -1.430 -15.078 509 HA LYS 66 HA LYS 66 6.171 -1.529 -13.388 510 1HB LYS 66 1HB LYS 66 3.641 0.163 -13.092 511 2HB LYS 66 2HB LYS 66 5.089 0.456 -12.146 512 1HG LYS 66 1HG LYS 66 6.427 0.588 -14.322 513 2HG LYS 66 2HG LYS 66 4.921 0.535 -15.199 514 1HD LYS 66 1HD LYS 66 4.143 2.613 -14.168 515 2HD LYS 66 2HD LYS 66 5.473 2.584 -13.018 516 1HE LYS 66 1HE LYS 66 7.118 2.893 -14.874 517 2HE LYS 66 2HE LYS 66 5.796 2.897 -16.031 518 1HZ LYS 66 1HZ LYS 66 6.775 5.092 -14.508 519 2HZ LYS 66 2HZ LYS 66 5.173 4.784 -14.054 520 3HZ LYS 66 3HZ LYS 66 5.595 5.114 -15.678 521 H GLU 67 H GLU 67 3.017 -1.990 -12.136 522 HA GLU 67 HA GLU 67 3.391 -2.296 -9.494 523 1HB GLU 67 1HB GLU 67 1.697 -3.647 -11.624 524 2HB GLU 67 2HB GLU 67 1.424 -4.085 -9.982 525 1HG GLU 67 1HG GLU 67 -0.149 -2.173 -10.738 526 2HG GLU 67 2HG GLU 67 0.909 -1.599 -9.461 527 H ASP 68 H ASP 68 4.118 -4.840 -11.817 528 HA ASP 68 HA ASP 68 4.896 -6.681 -9.718 529 1HB ASP 68 1HB ASP 68 4.879 -6.509 -12.729 530 2HB ASP 68 2HB ASP 68 5.754 -7.792 -11.955 531 H ALA 69 H ALA 69 6.415 -4.454 -11.695 532 HA ALA 69 HA ALA 69 9.193 -5.194 -11.028 533 1HB ALA 69 1HB ALA 69 8.601 -3.728 -13.019 534 2HB ALA 69 2HB ALA 69 9.789 -2.949 -11.975 535 3HB ALA 69 3HB ALA 69 8.091 -2.463 -11.926 536 H MET 70 H MET 70 6.709 -3.110 -9.714 537 HA MET 70 HA MET 70 8.234 -2.041 -7.463 538 1HB MET 70 1HB MET 70 5.195 -2.522 -7.817 539 2HB MET 70 2HB MET 70 5.901 -1.455 -6.619 540 1HG MET 70 1HG MET 70 6.653 0.079 -8.214 541 2HG MET 70 2HG MET 70 6.614 -1.047 -9.526 542 1HE MET 70 1HE MET 70 4.823 1.153 -7.124 543 2HE MET 70 2HE MET 70 3.667 -0.195 -6.938 544 3HE MET 70 3HE MET 70 3.186 1.296 -7.736 545 H LYS 71 H LYS 71 5.873 -4.725 -7.597 546 HA LYS 71 HA LYS 71 6.305 -5.736 -5.058 547 1HB LYS 71 1HB LYS 71 6.119 -7.368 -7.645 548 2HB LYS 71 2HB LYS 71 5.920 -8.061 -6.047 549 1HG LYS 71 1HG LYS 71 4.011 -6.683 -5.642 550 2HG LYS 71 2HG LYS 71 4.214 -5.803 -7.139 551 1HD LYS 71 1HD LYS 71 4.214 -8.367 -8.141 552 2HD LYS 71 2HD LYS 71 3.244 -8.645 -6.717 553 1HE LYS 71 1HE LYS 71 2.726 -6.767 -9.044 554 2HE LYS 71 2HE LYS 71 1.735 -8.131 -8.553 555 1HZ LYS 71 1HZ LYS 71 1.544 -5.467 -7.677 556 2HZ LYS 71 2HZ LYS 71 2.200 -6.346 -6.392 557 3HZ LYS 71 3HZ LYS 71 0.666 -6.787 -7.042 558 H ALA 72 H ALA 72 8.065 -7.042 -7.890 559 HA ALA 72 HA ALA 72 10.081 -8.301 -6.474 560 1HB ALA 72 1HB ALA 72 9.462 -8.688 -8.772 561 2HB ALA 72 2HB ALA 72 11.125 -8.162 -8.853 562 3HB ALA 72 3HB ALA 72 9.821 -7.052 -9.242 563 H TYR 73 H TYR 73 10.023 -4.859 -7.479 564 HA TYR 73 HA TYR 73 12.733 -4.288 -6.771 565 1HB TYR 73 1HB TYR 73 11.248 -2.593 -7.935 566 2HB TYR 73 2HB TYR 73 10.266 -2.487 -6.498 567 HD1 TYR 73 HD1 TYR 73 10.897 -0.920 -4.776 568 HD2 TYR 73 HD2 TYR 73 13.744 -2.026 -7.745 569 HE1 TYR 73 HE1 TYR 73 12.432 0.842 -3.989 570 HE2 TYR 73 HE2 TYR 73 15.250 -0.306 -6.926 571 HH TYR 73 HH TYR 73 15.413 1.520 -5.711 572 H ILE 74 H ILE 74 9.774 -3.957 -4.949 573 HA ILE 74 HA ILE 74 10.971 -3.322 -2.451 574 HB ILE 74 HB ILE 74 8.315 -4.667 -3.112 575 1HG1 ILE 74 1HG1 ILE 74 8.933 -1.753 -2.511 576 2HG1 ILE 74 2HG1 ILE 74 8.723 -2.387 -4.132 577 1HG2 ILE 74 1HG2 ILE 74 9.315 -3.081 -0.639 578 2HG2 ILE 74 2HG2 ILE 74 9.130 -4.837 -0.626 579 3HG2 ILE 74 3HG2 ILE 74 7.727 -3.806 -0.781 580 1HD1 ILE 74 1HD1 ILE 74 6.582 -2.575 -1.957 581 2HD1 ILE 74 2HD1 ILE 74 6.436 -3.198 -3.587 582 3HD1 ILE 74 3HD1 ILE 74 6.530 -1.471 -3.296 583 H ASP 75 H ASP 75 10.145 -6.464 -3.897 584 HA ASP 75 HA ASP 75 10.759 -8.076 -1.643 585 1HB ASP 75 1HB ASP 75 10.751 -8.571 -4.654 586 2HB ASP 75 2HB ASP 75 10.602 -9.828 -3.517 587 H LYS 76 H LYS 76 12.646 -6.622 -4.146 588 HA LYS 76 HA LYS 76 14.936 -8.360 -3.549 589 1HB LYS 76 1HB LYS 76 14.415 -7.221 -5.840 590 2HB LYS 76 2HB LYS 76 15.053 -5.742 -5.183 591 1HG LYS 76 1HG LYS 76 16.968 -6.867 -6.256 592 2HG LYS 76 2HG LYS 76 17.197 -7.079 -4.526 593 1HD LYS 76 1HD LYS 76 16.186 -9.351 -4.608 594 2HD LYS 76 2HD LYS 76 15.772 -9.156 -6.290 595 1HE LYS 76 1HE LYS 76 18.168 -9.304 -6.881 596 2HE LYS 76 2HE LYS 76 18.578 -9.361 -5.166 597 1HZ LYS 76 1HZ LYS 76 16.522 -11.179 -5.505 598 2HZ LYS 76 2HZ LYS 76 18.050 -11.554 -5.099 599 3HZ LYS 76 3HZ LYS 76 17.595 -11.576 -6.756 600 H VAL 77 H VAL 77 13.886 -4.966 -3.160 601 HA VAL 77 HA VAL 77 15.956 -3.967 -1.541 602 HB VAL 77 HB VAL 77 12.917 -3.549 -1.244 603 1HG1 VAL 77 1HG1 VAL 77 13.589 -1.486 0.079 604 2HG1 VAL 77 2HG1 VAL 77 15.260 -1.975 -0.036 605 3HG1 VAL 77 3HG1 VAL 77 14.131 -2.936 0.892 606 1HG2 VAL 77 1HG2 VAL 77 13.971 -2.735 -3.431 607 2HG2 VAL 77 2HG2 VAL 77 15.157 -1.869 -2.484 608 3HG2 VAL 77 3HG2 VAL 77 13.488 -1.376 -2.458 609 H GLU 78 H GLU 78 13.153 -5.975 -0.559 610 HA GLU 78 HA GLU 78 13.990 -6.221 2.090 611 1HB GLU 78 1HB GLU 78 11.878 -7.190 0.486 612 2HB GLU 78 2HB GLU 78 12.587 -8.650 1.087 613 1HG GLU 78 1HG GLU 78 12.576 -7.057 3.409 614 2HG GLU 78 2HG GLU 78 11.234 -6.331 2.531 615 H GLU 79 H GLU 79 14.506 -8.566 -0.672 616 HA GLU 79 HA GLU 79 16.043 -10.459 0.547 617 1HB GLU 79 1HB GLU 79 15.910 -9.197 -2.071 618 2HB GLU 79 2HB GLU 79 17.473 -9.849 -1.853 619 1HG GLU 79 1HG GLU 79 16.095 -12.093 -1.189 620 2HG GLU 79 2HG GLU 79 14.730 -11.158 -1.804 621 H LEU 80 H LEU 80 17.028 -7.344 -0.526 622 HA LEU 80 HA LEU 80 19.818 -7.430 0.266 623 1HB LEU 80 1HB LEU 80 17.927 -5.077 -0.306 624 2HB LEU 80 2HB LEU 80 19.663 -4.943 -0.201 625 HG LEU 80 HG LEU 80 18.108 -6.571 -2.263 626 1HD1 LEU 80 1HD1 LEU 80 19.988 -4.207 -2.538 627 2HD1 LEU 80 2HD1 LEU 80 18.234 -4.115 -2.632 628 3HD1 LEU 80 3HD1 LEU 80 19.141 -5.015 -3.849 629 1HD2 LEU 80 1HD2 LEU 80 20.317 -7.089 -3.206 630 2HD2 LEU 80 2HD2 LEU 80 20.182 -7.769 -1.624 631 3HD2 LEU 80 3HD2 LEU 80 21.115 -6.299 -1.848 632 H LYS 81 H LYS 81 17.039 -5.708 1.825 633 HA LYS 81 HA LYS 81 18.378 -4.984 4.139 634 1HB LYS 81 1HB LYS 81 16.030 -4.577 3.417 635 2HB LYS 81 2HB LYS 81 15.568 -6.204 3.864 636 1HG LYS 81 1HG LYS 81 16.129 -5.803 6.231 637 2HG LYS 81 2HG LYS 81 16.816 -4.256 5.843 638 1HD LYS 81 1HD LYS 81 13.870 -4.997 5.505 639 2HD LYS 81 2HD LYS 81 14.528 -4.027 6.816 640 1HE LYS 81 1HE LYS 81 15.215 -2.285 5.261 641 2HE LYS 81 2HE LYS 81 14.677 -3.217 3.871 642 1HZ LYS 81 1HZ LYS 81 12.579 -3.048 5.830 643 2HZ LYS 81 2HZ LYS 81 12.599 -2.542 4.209 644 3HZ LYS 81 3HZ LYS 81 13.098 -1.482 5.351 645 H LYS 82 H LYS 82 16.871 -8.059 3.543 646 HA LYS 82 HA LYS 82 17.679 -9.362 5.835 647 1HB LYS 82 1HB LYS 82 17.444 -10.504 3.020 648 2HB LYS 82 2HB LYS 82 17.463 -11.483 4.470 649 1HG LYS 82 1HG LYS 82 15.454 -9.220 4.137 650 2HG LYS 82 2HG LYS 82 15.135 -10.811 3.495 651 1HD LYS 82 1HD LYS 82 15.503 -11.719 5.894 652 2HD LYS 82 2HD LYS 82 15.772 -10.080 6.433 653 1HE LYS 82 1HE LYS 82 13.473 -10.849 6.953 654 2HE LYS 82 2HE LYS 82 13.485 -9.443 5.892 655 1HZ LYS 82 1HZ LYS 82 13.687 -11.610 4.220 656 2HZ LYS 82 2HZ LYS 82 12.368 -10.588 4.416 657 3HZ LYS 82 3HZ LYS 82 12.419 -12.033 5.299 658 H LYS 83 H LYS 83 19.440 -8.862 2.982 659 HA LYS 83 HA LYS 83 21.850 -10.314 3.796 660 1HB LYS 83 1HB LYS 83 21.358 -8.403 1.495 661 2HB LYS 83 2HB LYS 83 22.813 -9.344 1.685 662 1HG LYS 83 1HG LYS 83 21.754 -11.372 1.225 663 2HG LYS 83 2HG LYS 83 20.172 -10.777 1.673 664 1HD LYS 83 1HD LYS 83 20.118 -9.306 -0.315 665 2HD LYS 83 2HD LYS 83 21.760 -9.671 -0.751 666 1HE LYS 83 1HE LYS 83 20.341 -10.963 -2.214 667 2HE LYS 83 2HE LYS 83 20.973 -12.084 -1.023 668 1HZ LYS 83 1HZ LYS 83 18.704 -10.957 0.113 669 2HZ LYS 83 2HZ LYS 83 18.879 -12.541 -0.459 670 3HZ LYS 83 3HZ LYS 83 18.248 -11.407 -1.511 671 H TYR 84 H TYR 84 21.204 -6.860 3.515 672 HA TYR 84 HA TYR 84 23.814 -6.326 4.877 673 1HB TYR 84 1HB TYR 84 22.218 -4.452 3.082 674 2HB TYR 84 2HB TYR 84 23.847 -4.186 3.682 675 HD1 TYR 84 HD1 TYR 84 21.903 -5.804 0.958 676 HD2 TYR 84 HD2 TYR 84 25.667 -5.821 3.013 677 HE1 TYR 84 HE1 TYR 84 22.906 -7.043 -0.858 678 HE2 TYR 84 HE2 TYR 84 26.630 -7.062 1.122 679 HH TYR 84 HH TYR 84 24.787 -8.089 -1.678 680 H GLY 85 H GLY 85 20.420 -5.804 5.703 681 1HA GLY 85 1HA GLY 85 20.203 -5.254 8.111 682 2HA GLY 85 2HA GLY 85 21.229 -3.858 7.793 683 H ILE 86 H ILE 86 20.239 -2.962 5.471 684 HA ILE 86 HA ILE 86 17.394 -2.273 6.031 685 HB ILE 86 HB ILE 86 19.163 -0.883 6.783 686 1HG1 ILE 86 1HG1 ILE 86 17.748 0.458 4.427 687 2HG1 ILE 86 2HG1 ILE 86 16.782 -0.021 5.798 688 1HG2 ILE 86 1HG2 ILE 86 19.698 -0.563 3.832 689 2HG2 ILE 86 2HG2 ILE 86 20.818 -1.228 5.014 690 3HG2 ILE 86 3HG2 ILE 86 20.452 0.486 5.034 691 1HD1 ILE 86 1HD1 ILE 86 17.394 2.396 6.020 692 2HD1 ILE 86 2HD1 ILE 86 19.101 1.997 5.884 693 3HD1 ILE 86 3HD1 ILE 86 18.183 1.462 7.279 694 AH2 COA 1 AH2 COA 1 17.440 1.007 -8.322 695 AH61 COA 1 AH61 COA 1 15.747 2.967 -4.881 696 AH62 COA 1 AH62 COA 1 16.418 4.576 -4.674 697 AH8 COA 1 AH8 COA 1 19.380 7.136 -7.843 698 AH1* COA 1 AH1* COA 1 19.600 4.375 -10.573 699 AH2* COA 1 AH2* COA 1 20.188 7.266 -9.815 700 AHO2 COA 1 AHO2 COA 1 19.670 6.723 -12.379 701 AH3* COA 1 AH3* COA 1 22.110 7.198 -11.262 702 AH4* COA 1 AH4* COA 1 22.977 4.755 -10.446 703 AH51 COA 1 AH51 COA 1 23.775 6.723 -9.266 704 AH52 COA 1 AH52 COA 1 23.202 5.584 -8.110 705 1H12 COA 1 1H12 COA 1 22.374 8.524 -2.891 706 2H12 COA 1 2H12 COA 1 23.356 9.258 -4.123 707 1H13 COA 1 1H13 COA 1 24.084 5.943 -5.864 708 2H13 COA 1 2H13 COA 1 24.516 7.662 -5.904 709 3H13 COA 1 3H13 COA 1 22.862 7.134 -6.158 710 1H14 COA 1 1H14 COA 1 22.847 4.980 -4.086 711 2H14 COA 1 2H14 COA 1 21.549 6.074 -4.544 712 3H14 COA 1 3H14 COA 1 22.056 5.971 -2.867 713 H10 COA 1 H10 COA 1 25.344 7.726 -3.335 714 HO1 COA 1 HO1 COA 1 25.242 5.789 -4.689 715 HN8 COA 1 HN8 COA 1 24.469 4.855 -2.141 716 1H7 COA 1 1H7 COA 1 23.107 4.292 -0.124 717 2H7 COA 1 2H7 COA 1 23.701 5.787 0.638 718 1H6 COA 1 1H6 COA 1 25.242 4.133 1.502 719 2H6 COA 1 2H6 COA 1 24.932 3.095 0.106 720 HN4 COA 1 HN4 COA 1 26.632 2.800 -0.935 721 1H3 COA 1 1H3 COA 1 28.663 4.965 -1.351 722 2H3 COA 1 2H3 COA 1 29.015 3.233 -1.451 723 1H2 COA 1 1H2 COA 1 28.725 4.334 -3.707 724 2H2 COA 1 2H2 COA 1 27.141 4.823 -3.234 725 1H2 PLY 2 1H2 PLY 2 24.379 2.600 -4.793 726 2H2 PLY 2 2H2 PLY 2 24.815 0.878 -4.659 727 1H3 PLY 2 1H3 PLY 2 23.261 0.779 -2.684 728 2H3 PLY 2 2H3 PLY 2 22.700 2.403 -3.046 729 1H4 PLY 2 1H4 PLY 2 22.210 -0.144 -4.711 730 2H4 PLY 2 2H4 PLY 2 21.044 1.113 -4.346 731 1H5 PLY 2 1H5 PLY 2 23.215 1.300 -6.345 732 2H5 PLY 2 2H5 PLY 2 22.110 2.625 -5.928 733 1H6 PLY 2 1H6 PLY 2 20.238 1.127 -6.567 734 2H6 PLY 2 2H6 PLY 2 21.404 -0.071 -7.128 735 1H7 PLY 2 1H7 PLY 2 20.523 1.593 -8.872 736 2H7 PLY 2 2H7 PLY 2 21.312 2.836 -7.926 737 1H8 PLY 2 1H8 PLY 2 23.015 0.518 -8.756 738 2H8 PLY 2 2H8 PLY 2 22.567 1.608 -10.049 739 1H9 PLY 2 1H9 PLY 2 23.735 2.826 -7.504 740 2H9 PLY 2 2H9 PLY 2 23.710 3.441 -9.104 741 1HA PLY 2 1HA PLY 2 25.439 1.051 -8.346 742 2HA PLY 2 2HA PLY 2 26.000 2.681 -8.393 743 1HB PLY 2 1HB PLY 2 26.389 2.522 -10.596 744 2HB PLY 2 2HB PLY 2 24.713 2.115 -10.903 745 1HC PLY 2 1HC PLY 2 26.762 0.010 -9.957 746 2HC PLY 2 2HC PLY 2 26.448 0.317 -11.654 747 1HD PLY 2 1HD PLY 2 24.491 -0.562 -9.533 748 2HD PLY 2 2HD PLY 2 23.920 -0.142 -11.108 749 1HE PLY 2 1HE PLY 2 23.951 -2.361 -11.122 750 2HE PLY 2 2HE PLY 2 25.365 -2.516 -10.114 751 1HF PLY 2 1HF PLY 2 25.901 -1.406 -12.897 752 2HF PLY 2 2HF PLY 2 25.398 -3.089 -12.786 753 1HG PLY 2 1HG PLY 2 27.683 -1.933 -11.217 754 2HG PLY 2 2HG PLY 2 27.119 -3.600 -11.214 755 3HG PLY 2 3HG PLY 2 27.812 -2.928 -12.675 Start of MODEL 7 1 1H SER 1 1H SER 1 0.440 7.831 -4.668 2 2H SER 1 2H SER 1 1.204 8.172 -6.136 3 H SER 1 H SER 1 -0.462 8.513 -5.934 4 HA SER 1 HA SER 1 -0.949 6.439 -6.675 5 1HB SER 1 1HB SER 1 1.215 5.096 -7.477 6 2HB SER 1 2HB SER 1 0.990 6.716 -8.179 7 HG SER 1 HG SER 1 3.111 6.188 -6.800 8 H GLN 2 H GLN 2 1.999 5.322 -5.187 9 HA GLN 2 HA GLN 2 0.562 4.113 -2.862 10 1HB GLN 2 1HB GLN 2 1.333 1.905 -3.283 11 2HB GLN 2 2HB GLN 2 0.982 2.428 -4.914 12 1HG GLN 2 1HG GLN 2 3.474 2.982 -5.240 13 2HG GLN 2 2HG GLN 2 3.769 2.414 -3.600 14 1HE2 GLN 2 1HE2 GLN 2 4.656 0.276 -3.671 15 2HE2 GLN 2 2HE2 GLN 2 4.083 -0.837 -4.825 16 H ALA 3 H ALA 3 2.213 3.489 -1.121 17 HA ALA 3 HA ALA 3 4.510 5.372 -1.218 18 1HB ALA 3 1HB ALA 3 3.160 3.905 1.085 19 2HB ALA 3 2HB ALA 3 2.860 5.568 0.599 20 3HB ALA 3 3HB ALA 3 4.420 5.114 1.254 21 H GLU 4 H GLU 4 3.919 2.014 -0.242 22 HA GLU 4 HA GLU 4 6.223 1.079 0.554 23 1HB GLU 4 1HB GLU 4 3.983 0.056 -1.157 24 2HB GLU 4 2HB GLU 4 5.329 -1.015 -0.927 25 1HG GLU 4 1HG GLU 4 3.324 -1.124 0.836 26 2HG GLU 4 2HG GLU 4 4.947 -1.136 1.502 27 H PHE 5 H PHE 5 5.758 1.692 -2.699 28 HA PHE 5 HA PHE 5 8.200 0.422 -3.467 29 1HB PHE 5 1HB PHE 5 6.197 0.783 -4.771 30 2HB PHE 5 2HB PHE 5 6.397 2.485 -4.468 31 HD1 PHE 5 HD1 PHE 5 7.753 3.826 -5.934 32 HD2 PHE 5 HD2 PHE 5 8.350 -0.383 -5.982 33 HE1 PHE 5 HE1 PHE 5 9.420 4.097 -7.666 34 HE2 PHE 5 HE2 PHE 5 10.044 -0.112 -7.745 35 HZ PHE 5 HZ PHE 5 10.579 2.134 -8.589 36 H ASP 6 H ASP 6 7.326 3.860 -3.373 37 HA ASP 6 HA ASP 6 9.875 4.923 -3.790 38 1HB ASP 6 1HB ASP 6 7.349 5.890 -2.396 39 2HB ASP 6 2HB ASP 6 8.617 6.912 -3.008 40 H LYS 7 H LYS 7 8.139 4.205 -0.974 41 HA LYS 7 HA LYS 7 10.150 5.159 0.886 42 1HB LYS 7 1HB LYS 7 7.760 4.602 1.608 43 2HB LYS 7 2HB LYS 7 8.148 2.909 1.423 44 1HG LYS 7 1HG LYS 7 10.347 3.863 2.919 45 2HG LYS 7 2HG LYS 7 9.104 4.970 3.420 46 1HD LYS 7 1HD LYS 7 7.679 3.200 4.182 47 2HD LYS 7 2HD LYS 7 8.674 1.971 3.411 48 1HE LYS 7 1HE LYS 7 10.619 2.866 4.897 49 2HE LYS 7 2HE LYS 7 9.368 3.652 5.853 50 1HZ LYS 7 1HZ LYS 7 8.561 0.995 5.357 51 2HZ LYS 7 2HZ LYS 7 9.030 1.642 6.871 52 3HZ LYS 7 3HZ LYS 7 10.222 1.002 5.810 53 H ALA 8 H ALA 8 9.515 2.032 -0.695 54 HA ALA 8 HA ALA 8 11.617 0.602 0.730 55 1HB ALA 8 1HB ALA 8 9.904 -0.556 -0.713 56 2HB ALA 8 2HB ALA 8 11.513 -1.007 -1.199 57 3HB ALA 8 3HB ALA 8 10.605 0.164 -2.149 58 H ALA 9 H ALA 9 11.561 2.429 -2.412 59 HA ALA 9 HA ALA 9 14.257 2.289 -3.006 60 1HB ALA 9 1HB ALA 9 12.473 3.316 -4.438 61 2HB ALA 9 2HB ALA 9 13.753 4.496 -4.269 62 3HB ALA 9 3HB ALA 9 12.300 4.656 -3.330 63 H GLU 10 H GLU 10 12.682 4.647 -0.818 64 HA GLU 10 HA GLU 10 15.022 6.108 -0.013 65 1HB GLU 10 1HB GLU 10 12.707 5.175 1.800 66 2HB GLU 10 2HB GLU 10 13.782 6.489 2.172 67 1HG GLU 10 1HG GLU 10 12.831 7.752 0.171 68 2HG GLU 10 2HG GLU 10 11.713 6.444 -0.095 69 H GLU 11 H GLU 11 13.598 3.222 1.400 70 HA GLU 11 HA GLU 11 15.652 2.630 3.203 71 1HB GLU 11 1HB GLU 11 13.736 0.758 1.752 72 2HB GLU 11 2HB GLU 11 14.833 0.234 3.006 73 1HG GLU 11 1HG GLU 11 13.623 2.589 4.039 74 2HG GLU 11 2HG GLU 11 12.357 1.726 3.283 75 H VAL 12 H VAL 12 15.450 1.377 -0.281 76 HA VAL 12 HA VAL 12 17.801 -0.174 -0.069 77 HB VAL 12 HB VAL 12 15.748 0.161 -1.879 78 1HG1 VAL 12 1HG1 VAL 12 16.718 2.220 -2.918 79 2HG1 VAL 12 2HG1 VAL 12 16.685 0.889 -4.046 80 3HG1 VAL 12 3HG1 VAL 12 18.196 1.338 -3.300 81 1HG2 VAL 12 1HG2 VAL 12 17.180 -1.860 -1.635 82 2HG2 VAL 12 2HG2 VAL 12 18.436 -1.049 -2.567 83 3HG2 VAL 12 3HG2 VAL 12 16.918 -1.429 -3.314 84 H LYS 13 H LYS 13 17.185 3.133 -1.056 85 HA LYS 13 HA LYS 13 19.748 3.787 -1.940 86 1HB LYS 13 1HB LYS 13 17.436 5.244 -0.679 87 2HB LYS 13 2HB LYS 13 18.891 6.076 -1.090 88 1HG LYS 13 1HG LYS 13 18.577 4.991 -3.469 89 2HG LYS 13 2HG LYS 13 17.002 4.520 -2.912 90 1HD LYS 13 1HD LYS 13 16.761 6.722 -4.046 91 2HD LYS 13 2HD LYS 13 16.502 6.929 -2.325 92 1HE LYS 13 1HE LYS 13 18.029 8.676 -3.383 93 2HE LYS 13 2HE LYS 13 18.778 7.857 -2.036 94 1HZ LYS 13 1HZ LYS 13 19.244 6.362 -4.458 95 2HZ LYS 13 2HZ LYS 13 20.420 7.151 -3.473 96 3HZ LYS 13 3HZ LYS 13 19.751 7.957 -4.651 97 H HIS 14 H HIS 14 18.497 3.272 1.129 98 HA HIS 14 HA HIS 14 20.823 4.515 2.479 99 1HB HIS 14 1HB HIS 14 18.275 3.179 3.538 100 2HB HIS 14 2HB HIS 14 19.578 3.661 4.597 101 HD1 HIS 14 HD1 HIS 14 16.760 5.105 2.722 102 HD2 HIS 14 HD2 HIS 14 20.008 6.512 4.757 103 HE1 HIS 14 HE1 HIS 14 16.366 7.523 3.100 104 H LEU 15 H LEU 15 20.460 1.601 0.946 105 HA LEU 15 HA LEU 15 21.271 -0.393 2.656 106 1HB LEU 15 1HB LEU 15 21.567 0.088 -0.280 107 2HB LEU 15 2HB LEU 15 22.435 -1.287 0.358 108 HG LEU 15 HG LEU 15 19.468 -0.849 0.901 109 1HD1 LEU 15 1HD1 LEU 15 20.867 -2.761 -1.012 110 2HD1 LEU 15 2HD1 LEU 15 20.084 -1.275 -1.532 111 3HD1 LEU 15 3HD1 LEU 15 19.139 -2.568 -0.802 112 1HD2 LEU 15 1HD2 LEU 15 19.608 -3.217 1.512 113 2HD2 LEU 15 2HD2 LEU 15 20.753 -2.354 2.510 114 3HD2 LEU 15 3HD2 LEU 15 21.319 -3.271 1.131 115 H LYS 16 H LYS 16 22.813 1.157 3.847 116 HA LYS 16 HA LYS 16 25.256 1.751 3.965 117 1HB LYS 16 1HB LYS 16 23.868 1.417 5.949 118 2HB LYS 16 2HB LYS 16 24.014 -0.325 5.827 119 1HG LYS 16 1HG LYS 16 26.419 -0.240 6.281 120 2HG LYS 16 2HG LYS 16 26.425 1.496 6.277 121 1HD LYS 16 1HD LYS 16 24.935 -0.259 8.323 122 2HD LYS 16 2HD LYS 16 26.515 0.422 8.578 123 1HE LYS 16 1HE LYS 16 25.218 1.998 9.703 124 2HE LYS 16 2HE LYS 16 25.322 2.747 8.123 125 1HZ LYS 16 1HZ LYS 16 23.067 2.550 7.900 126 2HZ LYS 16 2HZ LYS 16 22.988 1.900 9.474 127 3HZ LYS 16 3HZ LYS 16 23.189 0.896 8.121 128 H THR 17 H THR 17 24.670 -1.505 3.240 129 HA THR 17 HA THR 17 27.630 -1.982 3.011 130 HB THR 17 HB THR 17 25.478 -4.111 3.327 131 HG1 THR 17 HG1 THR 17 25.720 -3.762 5.319 132 1HG2 THR 17 1HG2 THR 17 27.834 -4.777 2.424 133 2HG2 THR 17 2HG2 THR 17 27.435 -5.457 4.002 134 3HG2 THR 17 3HG2 THR 17 28.481 -4.058 3.892 135 H LYS 18 H LYS 18 27.296 -1.012 1.298 136 HA LYS 18 HA LYS 18 26.397 -0.764 -1.308 137 1HB LYS 18 1HB LYS 18 28.786 -0.027 -1.053 138 2HB LYS 18 2HB LYS 18 29.296 -1.686 -0.871 139 1HG LYS 18 1HG LYS 18 28.345 -2.101 -3.321 140 2HG LYS 18 2HG LYS 18 28.292 -0.356 -3.427 141 1HD LYS 18 1HD LYS 18 30.667 -0.135 -3.241 142 2HD LYS 18 2HD LYS 18 30.871 -1.783 -2.677 143 1HE LYS 18 1HE LYS 18 30.196 -2.677 -4.907 144 2HE LYS 18 2HE LYS 18 29.871 -1.061 -5.497 145 1HZ LYS 18 1HZ LYS 18 32.348 -2.406 -5.476 146 2HZ LYS 18 2HZ LYS 18 32.483 -1.085 -4.416 147 3HZ LYS 18 3HZ LYS 18 32.030 -0.861 -6.037 148 HA PRO 19 HA PRO 19 25.382 -5.238 -1.611 149 1HB PRO 19 1HB PRO 19 23.722 -4.086 -3.814 150 2HB PRO 19 2HB PRO 19 23.277 -5.343 -2.689 151 1HG PRO 19 1HG PRO 19 22.389 -2.858 -2.168 152 2HG PRO 19 2HG PRO 19 23.040 -3.818 -0.813 153 1HD PRO 19 1HD PRO 19 24.375 -1.564 -2.399 154 2HD PRO 19 2HD PRO 19 24.424 -1.888 -0.643 155 H ALA 20 H ALA 20 25.545 -6.902 -3.459 156 HA ALA 20 HA ALA 20 27.902 -6.148 -4.993 157 1HB ALA 20 1HB ALA 20 26.177 -8.687 -4.902 158 2HB ALA 20 2HB ALA 20 27.614 -8.393 -3.928 159 3HB ALA 20 3HB ALA 20 27.754 -8.568 -5.675 160 H ASP 21 H ASP 21 27.929 -5.916 -7.226 161 HA ASP 21 HA ASP 21 25.994 -4.498 -8.508 162 1HB ASP 21 1HB ASP 21 28.098 -6.499 -9.553 163 2HB ASP 21 2HB ASP 21 27.375 -5.252 -10.552 164 H GLU 22 H GLU 22 26.266 -8.129 -9.107 165 HA GLU 22 HA GLU 22 24.010 -8.393 -10.639 166 1HB GLU 22 1HB GLU 22 24.924 -10.246 -8.316 167 2HB GLU 22 2HB GLU 22 23.901 -10.773 -9.633 168 1HG GLU 22 1HG GLU 22 25.850 -10.161 -11.225 169 2HG GLU 22 2HG GLU 22 26.843 -9.932 -9.804 170 H GLU 23 H GLU 23 23.892 -8.024 -7.138 171 HA GLU 23 HA GLU 23 20.959 -8.365 -7.111 172 1HB GLU 23 1HB GLU 23 23.161 -7.648 -5.105 173 2HB GLU 23 2HB GLU 23 21.497 -7.612 -4.604 174 1HG GLU 23 1HG GLU 23 22.568 -10.177 -5.888 175 2HG GLU 23 2HG GLU 23 22.925 -9.853 -4.207 176 H MET 24 H MET 24 23.332 -5.679 -6.894 177 HA MET 24 HA MET 24 21.624 -3.465 -6.605 178 1HB MET 24 1HB MET 24 24.111 -3.824 -8.352 179 2HB MET 24 2HB MET 24 23.468 -2.261 -8.096 180 1HG MET 24 1HG MET 24 23.899 -2.559 -5.619 181 2HG MET 24 2HG MET 24 24.666 -4.071 -5.982 182 1HE MET 24 1HE MET 24 25.360 -1.110 -4.670 183 2HE MET 24 2HE MET 24 25.253 -0.050 -6.090 184 3HE MET 24 3HE MET 24 26.807 -0.420 -5.361 185 H LEU 25 H LEU 25 22.727 -4.960 -9.540 186 HA LEU 25 HA LEU 25 21.445 -3.883 -11.658 187 1HB LEU 25 1HB LEU 25 22.401 -6.580 -10.795 188 2HB LEU 25 2HB LEU 25 21.589 -6.593 -12.279 189 HG LEU 25 HG LEU 25 24.158 -5.172 -11.497 190 1HD1 LEU 25 1HD1 LEU 25 23.523 -7.098 -13.767 191 2HD1 LEU 25 2HD1 LEU 25 24.367 -7.491 -12.285 192 3HD1 LEU 25 3HD1 LEU 25 25.085 -6.392 -13.417 193 1HD2 LEU 25 1HD2 LEU 25 24.268 -4.186 -13.779 194 2HD2 LEU 25 2HD2 LEU 25 22.852 -3.537 -13.001 195 3HD2 LEU 25 3HD2 LEU 25 22.684 -4.816 -14.187 196 H PHE 26 H PHE 26 20.040 -6.501 -9.720 197 HA PHE 26 HA PHE 26 17.458 -6.474 -10.946 198 1HB PHE 26 1HB PHE 26 18.288 -8.235 -9.353 199 2HB PHE 26 2HB PHE 26 18.101 -7.108 -8.019 200 HD1 PHE 26 HD1 PHE 26 15.615 -5.915 -7.987 201 HD2 PHE 26 HD2 PHE 26 16.518 -9.678 -9.782 202 HE1 PHE 26 HE1 PHE 26 13.282 -6.519 -7.885 203 HE2 PHE 26 HE2 PHE 26 14.133 -10.279 -9.659 204 HZ PHE 26 HZ PHE 26 12.510 -8.657 -8.693 205 H ILE 27 H ILE 27 18.570 -4.742 -8.015 206 HA ILE 27 HA ILE 27 16.072 -3.350 -7.680 207 HB ILE 27 HB ILE 27 18.883 -3.076 -6.710 208 1HG1 ILE 27 1HG1 ILE 27 17.409 -4.509 -5.508 209 2HG1 ILE 27 2HG1 ILE 27 17.709 -3.085 -4.514 210 1HG2 ILE 27 1HG2 ILE 27 16.968 -0.751 -6.299 211 2HG2 ILE 27 2HG2 ILE 27 18.477 -0.713 -7.185 212 3HG2 ILE 27 3HG2 ILE 27 18.466 -0.975 -5.459 213 1HD1 ILE 27 1HD1 ILE 27 15.089 -3.560 -6.020 214 2HD1 ILE 27 2HD1 ILE 27 15.534 -2.167 -5.049 215 3HD1 ILE 27 3HD1 ILE 27 15.392 -3.745 -4.324 216 H TYR 28 H TYR 28 18.998 -2.300 -9.449 217 HA TYR 28 HA TYR 28 17.950 0.219 -10.252 218 1HB TYR 28 1HB TYR 28 20.273 -0.814 -10.665 219 2HB TYR 28 2HB TYR 28 19.607 -1.586 -12.084 220 HD1 TYR 28 HD1 TYR 28 19.281 -0.238 -14.137 221 HD2 TYR 28 HD2 TYR 28 20.033 1.631 -10.379 222 HE1 TYR 28 HE1 TYR 28 19.567 1.968 -15.241 223 HE2 TYR 28 HE2 TYR 28 20.335 3.781 -11.502 224 HH TYR 28 HH TYR 28 20.649 4.833 -13.542 225 H SER 29 H SER 29 17.764 -2.867 -12.066 226 HA SER 29 HA SER 29 16.000 -2.046 -14.108 227 1HB SER 29 1HB SER 29 15.430 -4.574 -14.205 228 2HB SER 29 2HB SER 29 17.136 -4.182 -14.186 229 HG SER 29 HG SER 29 17.160 -4.574 -11.932 230 H HIS 30 H HIS 30 15.030 -3.794 -11.198 231 HA HIS 30 HA HIS 30 12.231 -3.437 -11.617 232 1HB HIS 30 1HB HIS 30 14.023 -4.003 -9.255 233 2HB HIS 30 2HB HIS 30 12.305 -3.750 -8.954 234 HD1 HIS 30 HD1 HIS 30 10.814 -5.593 -9.763 235 HD2 HIS 30 HD2 HIS 30 14.579 -6.035 -11.291 236 HE1 HIS 30 HE1 HIS 30 10.837 -7.780 -11.014 237 H TYR 31 H TYR 31 14.375 -1.232 -9.678 238 HA TYR 31 HA TYR 31 12.502 0.681 -8.979 239 1HB TYR 31 1HB TYR 31 14.892 0.551 -8.205 240 2HB TYR 31 2HB TYR 31 15.416 1.143 -9.746 241 HD1 TYR 31 HD1 TYR 31 12.837 2.073 -7.142 242 HD2 TYR 31 HD2 TYR 31 15.816 3.376 -9.849 243 HE1 TYR 31 HE1 TYR 31 12.439 4.425 -6.456 244 HE2 TYR 31 HE2 TYR 31 15.413 5.721 -9.161 245 HH TYR 31 HH TYR 31 14.533 6.923 -7.245 246 H LYS 32 H LYS 32 14.654 0.694 -11.810 247 HA LYS 32 HA LYS 32 13.774 2.983 -13.180 248 1HB LYS 32 1HB LYS 32 15.101 0.354 -13.870 249 2HB LYS 32 2HB LYS 32 14.585 1.374 -15.143 250 1HG LYS 32 1HG LYS 32 17.040 1.437 -14.318 251 2HG LYS 32 2HG LYS 32 16.278 2.911 -14.870 252 1HD LYS 32 1HD LYS 32 16.110 2.369 -11.911 253 2HD LYS 32 2HD LYS 32 17.706 2.618 -12.498 254 1HE LYS 32 1HE LYS 32 15.693 4.564 -13.459 255 2HE LYS 32 2HE LYS 32 16.112 4.693 -11.757 256 1HZ LYS 32 1HZ LYS 32 18.510 4.514 -13.391 257 2HZ LYS 32 2HZ LYS 32 18.051 5.720 -12.306 258 3HZ LYS 32 3HZ LYS 32 17.548 5.771 -13.916 259 H GLN 33 H GLN 33 12.611 -0.426 -13.476 260 HA GLN 33 HA GLN 33 10.719 0.091 -15.405 261 1HB GLN 33 1HB GLN 33 11.706 -2.158 -14.729 262 2HB GLN 33 2HB GLN 33 10.883 -2.006 -13.182 263 1HG GLN 33 1HG GLN 33 8.786 -1.803 -14.197 264 2HG GLN 33 2HG GLN 33 9.518 -1.609 -15.784 265 1HE2 GLN 33 1HE2 GLN 33 9.187 -3.319 -17.032 266 2HE2 GLN 33 2HE2 GLN 33 9.040 -4.921 -16.523 267 H ALA 34 H ALA 34 10.465 0.109 -11.869 268 HA ALA 34 HA ALA 34 7.635 0.804 -11.979 269 1HB ALA 34 1HB ALA 34 8.477 -0.634 -10.256 270 2HB ALA 34 2HB ALA 34 7.987 0.882 -9.484 271 3HB ALA 34 3HB ALA 34 9.684 0.559 -9.827 272 H THR 35 H THR 35 10.297 2.905 -12.405 273 HA THR 35 HA THR 35 8.744 5.178 -11.234 274 HB THR 35 HB THR 35 11.023 6.398 -11.366 275 HG1 THR 35 HG1 THR 35 11.952 3.783 -11.586 276 1HG2 THR 35 1HG2 THR 35 11.179 3.763 -9.805 277 2HG2 THR 35 2HG2 THR 35 10.359 5.195 -9.212 278 3HG2 THR 35 3HG2 THR 35 12.086 5.237 -9.514 279 H VAL 36 H VAL 36 10.915 4.238 -13.822 280 HA VAL 36 HA VAL 36 9.875 6.396 -15.578 281 HB VAL 36 HB VAL 36 12.106 4.297 -16.111 282 1HG1 VAL 36 1HG1 VAL 36 11.420 6.892 -17.567 283 2HG1 VAL 36 2HG1 VAL 36 11.195 5.279 -18.218 284 3HG1 VAL 36 3HG1 VAL 36 12.805 5.876 -17.913 285 1HG2 VAL 36 1HG2 VAL 36 12.708 5.776 -14.226 286 2HG2 VAL 36 2HG2 VAL 36 12.367 7.187 -15.218 287 3HG2 VAL 36 3HG2 VAL 36 13.690 6.114 -15.650 288 H GLY 37 H GLY 37 10.351 2.958 -15.717 289 1HA GLY 37 1HA GLY 37 8.372 1.441 -16.334 290 2HA GLY 37 2HA GLY 37 8.004 2.622 -17.598 291 H ASP 38 H ASP 38 8.951 2.334 -19.586 292 HA ASP 38 HA ASP 38 10.774 0.109 -19.932 293 1HB ASP 38 1HB ASP 38 9.244 1.977 -21.801 294 2HB ASP 38 2HB ASP 38 10.392 0.827 -22.425 295 H ILE 39 H ILE 39 12.784 0.260 -20.762 296 HA ILE 39 HA ILE 39 14.261 2.630 -20.095 297 HB ILE 39 HB ILE 39 14.854 0.253 -19.859 298 1HG1 ILE 39 1HG1 ILE 39 16.805 1.611 -21.674 299 2HG1 ILE 39 2HG1 ILE 39 16.514 2.221 -20.053 300 1HG2 ILE 39 1HG2 ILE 39 15.733 -1.018 -21.791 301 2HG2 ILE 39 2HG2 ILE 39 15.213 0.212 -22.885 302 3HG2 ILE 39 3HG2 ILE 39 14.019 -0.687 -21.975 303 1HD1 ILE 39 1HD1 ILE 39 17.417 -0.624 -20.778 304 2HD1 ILE 39 2HD1 ILE 39 16.893 -0.151 -19.192 305 3HD1 ILE 39 3HD1 ILE 39 18.313 0.549 -19.855 306 H ASN 40 H ASN 40 13.337 4.413 -21.366 307 HA ASN 40 HA ASN 40 13.453 4.182 -24.282 308 1HB ASN 40 1HB ASN 40 12.232 6.359 -24.154 309 2HB ASN 40 2HB ASN 40 11.496 5.224 -23.022 310 1HD2 ASN 40 1HD2 ASN 40 12.163 8.437 -23.096 311 2HD2 ASN 40 2HD2 ASN 40 12.636 8.580 -21.460 312 H THR 41 H THR 41 15.747 4.064 -22.677 313 HA THR 41 HA THR 41 17.393 6.365 -23.679 314 HB THR 41 HB THR 41 18.877 6.052 -21.716 315 HG1 THR 41 HG1 THR 41 18.944 4.094 -20.849 316 1HG2 THR 41 1HG2 THR 41 16.093 5.258 -20.655 317 2HG2 THR 41 2HG2 THR 41 16.526 6.925 -20.975 318 3HG2 THR 41 3HG2 THR 41 17.379 6.021 -19.731 319 H GLU 42 H GLU 42 19.842 5.513 -23.998 320 HA GLU 42 HA GLU 42 19.571 2.939 -25.504 321 1HB GLU 42 1HB GLU 42 21.278 3.808 -27.018 322 2HB GLU 42 2HB GLU 42 20.181 5.132 -26.726 323 1HG GLU 42 1HG GLU 42 21.814 5.957 -24.901 324 2HG GLU 42 2HG GLU 42 22.884 4.679 -25.431 325 H ARG 43 H ARG 43 21.431 1.538 -25.542 326 HA ARG 43 HA ARG 43 22.413 0.835 -22.988 327 1HB ARG 43 1HB ARG 43 21.785 -0.611 -24.850 328 2HB ARG 43 2HB ARG 43 23.170 -0.033 -25.771 329 1HG ARG 43 1HG ARG 43 24.719 -0.994 -24.210 330 2HG ARG 43 2HG ARG 43 23.470 -1.312 -23.016 331 1HD ARG 43 1HD ARG 43 22.329 -2.766 -24.877 332 2HD ARG 43 2HD ARG 43 23.895 -2.714 -25.687 333 HE ARG 43 HE ARG 43 23.522 -3.680 -22.830 334 1HH1 ARG 43 1HH1 ARG 43 25.833 -3.301 -24.868 335 2HH1 ARG 43 2HH1 ARG 43 26.459 -4.948 -24.890 336 1HH2 ARG 43 1HH2 ARG 43 23.533 -5.762 -23.048 337 2HH2 ARG 43 2HH2 ARG 43 24.953 -6.523 -23.689 338 HA PRO 44 HA PRO 44 25.749 3.890 -22.911 339 1HB PRO 44 1HB PRO 44 26.571 2.032 -20.697 340 2HB PRO 44 2HB PRO 44 26.678 3.800 -20.813 341 1HG PRO 44 1HG PRO 44 24.454 2.900 -19.514 342 2HG PRO 44 2HG PRO 44 24.202 4.037 -20.822 343 1HD PRO 44 1HD PRO 44 24.082 0.977 -21.072 344 2HD PRO 44 2HD PRO 44 22.849 2.147 -21.521 345 H GLY 45 H GLY 45 27.266 4.030 -24.304 346 1HA GLY 45 1HA GLY 45 28.879 1.720 -25.191 347 2HA GLY 45 2HA GLY 45 28.984 3.336 -25.839 348 H MET 46 H MET 46 29.332 3.424 -22.556 349 HA MET 46 HA MET 46 32.299 3.732 -22.799 350 1HB MET 46 1HB MET 46 30.327 4.751 -20.703 351 2HB MET 46 2HB MET 46 32.068 4.863 -20.501 352 1HG MET 46 1HG MET 46 30.361 6.141 -22.633 353 2HG MET 46 2HG MET 46 31.309 6.910 -21.388 354 1HE MET 46 1HE MET 46 33.575 7.344 -21.288 355 2HE MET 46 2HE MET 46 34.713 7.308 -22.608 356 3HE MET 46 3HE MET 46 34.421 5.831 -21.680 357 H LEU 47 H LEU 47 30.395 2.817 -20.014 358 HA LEU 47 HA LEU 47 32.374 0.668 -19.354 359 1HB LEU 47 1HB LEU 47 30.267 1.540 -17.386 360 2HB LEU 47 2HB LEU 47 31.911 1.014 -17.099 361 HG LEU 47 HG LEU 47 31.052 3.732 -18.127 362 1HD1 LEU 47 1HD1 LEU 47 32.372 2.797 -15.561 363 2HD1 LEU 47 2HD1 LEU 47 30.689 3.287 -15.728 364 3HD1 LEU 47 3HD1 LEU 47 31.983 4.456 -15.966 365 1HD2 LEU 47 1HD2 LEU 47 33.263 3.049 -19.163 366 2HD2 LEU 47 2HD2 LEU 47 33.872 2.690 -17.557 367 3HD2 LEU 47 3HD2 LEU 47 33.460 4.338 -18.005 368 H ASP 48 H ASP 48 31.499 -1.262 -18.246 369 HA ASP 48 HA ASP 48 29.088 -2.232 -19.676 370 1HB ASP 48 1HB ASP 48 31.389 -3.735 -18.326 371 2HB ASP 48 2HB ASP 48 30.084 -4.478 -19.245 372 H PHE 49 H PHE 49 30.375 -2.990 -16.507 373 HA PHE 49 HA PHE 49 27.934 -3.914 -15.472 374 1HB PHE 49 1HB PHE 49 29.030 -3.807 -13.278 375 2HB PHE 49 2HB PHE 49 30.359 -3.937 -14.397 376 HD1 PHE 49 HD1 PHE 49 31.339 -1.498 -15.253 377 HD2 PHE 49 HD2 PHE 49 29.095 -2.220 -11.710 378 HE1 PHE 49 HE1 PHE 49 32.159 0.595 -14.307 379 HE2 PHE 49 HE2 PHE 49 29.870 -0.170 -10.749 380 HZ PHE 49 HZ PHE 49 31.451 1.297 -12.038 381 H LYS 50 H LYS 50 29.188 -0.738 -15.010 382 HA LYS 50 HA LYS 50 26.410 0.170 -14.504 383 1HB LYS 50 1HB LYS 50 28.492 0.768 -13.100 384 2HB LYS 50 2HB LYS 50 28.782 1.940 -14.383 385 1HG LYS 50 1HG LYS 50 26.455 2.890 -13.979 386 2HG LYS 50 2HG LYS 50 26.245 1.751 -12.654 387 1HD LYS 50 1HD LYS 50 28.389 2.865 -11.636 388 2HD LYS 50 2HD LYS 50 28.129 4.150 -12.793 389 1HE LYS 50 1HE LYS 50 26.166 3.246 -10.631 390 2HE LYS 50 2HE LYS 50 27.102 4.731 -10.624 391 1HZ LYS 50 1HZ LYS 50 25.716 4.675 -13.057 392 2HZ LYS 50 2HZ LYS 50 25.330 5.689 -11.770 393 3HZ LYS 50 3HZ LYS 50 24.599 4.252 -11.851 394 H GLY 51 H GLY 51 26.238 -0.251 -16.422 395 1HA GLY 51 1HA GLY 51 25.592 1.794 -18.322 396 2HA GLY 51 2HA GLY 51 27.085 1.063 -18.914 397 H LYS 52 H LYS 52 27.035 -1.096 -19.550 398 HA LYS 52 HA LYS 52 24.624 -1.745 -21.033 399 1HB LYS 52 1HB LYS 52 27.168 -3.353 -20.498 400 2HB LYS 52 2HB LYS 52 25.852 -3.979 -21.461 401 1HG LYS 52 1HG LYS 52 27.239 -3.048 -23.139 402 2HG LYS 52 2HG LYS 52 26.099 -1.733 -22.838 403 1HD LYS 52 1HD LYS 52 27.624 -0.453 -21.583 404 2HD LYS 52 2HD LYS 52 28.693 -1.804 -21.354 405 1HE LYS 52 1HE LYS 52 28.337 -0.679 -24.074 406 2HE LYS 52 2HE LYS 52 29.575 -0.150 -22.933 407 1HZ LYS 52 1HZ LYS 52 29.461 -2.914 -22.815 408 2HZ LYS 52 2HZ LYS 52 30.736 -2.037 -23.267 409 3HZ LYS 52 3HZ LYS 52 29.674 -2.544 -24.502 410 H ALA 53 H ALA 53 26.003 -3.081 -18.107 411 HA ALA 53 HA ALA 53 24.072 -5.174 -17.875 412 1HB ALA 53 1HB ALA 53 26.263 -5.099 -16.525 413 2HB ALA 53 2HB ALA 53 24.901 -5.346 -15.456 414 3HB ALA 53 3HB ALA 53 25.631 -3.761 -15.578 415 H LYS 54 H LYS 54 24.305 -2.108 -15.917 416 HA LYS 54 HA LYS 54 21.682 -2.236 -14.911 417 1HB LYS 54 1HB LYS 54 21.795 0.375 -15.205 418 2HB LYS 54 2HB LYS 54 22.638 -0.451 -13.973 419 1HG LYS 54 1HG LYS 54 24.670 -0.490 -15.336 420 2HG LYS 54 2HG LYS 54 23.827 0.237 -16.705 421 1HD LYS 54 1HD LYS 54 24.102 1.260 -13.877 422 2HD LYS 54 2HD LYS 54 25.151 1.688 -15.202 423 1HE LYS 54 1HE LYS 54 23.813 3.157 -16.184 424 2HE LYS 54 2HE LYS 54 22.389 2.156 -16.022 425 1HZ LYS 54 1HZ LYS 54 23.148 4.379 -14.424 426 2HZ LYS 54 2HZ LYS 54 23.052 3.111 -13.375 427 3HZ LYS 54 3HZ LYS 54 21.795 3.609 -14.310 428 H TRP 55 H TRP 55 22.565 -1.426 -18.463 429 HA TRP 55 HA TRP 55 19.903 -0.303 -18.795 430 1HB TRP 55 1HB TRP 55 22.175 0.135 -20.171 431 2HB TRP 55 2HB TRP 55 21.785 -1.343 -21.013 432 HD1 TRP 55 HD1 TRP 55 20.336 2.188 -20.340 433 HE1 TRP 55 HE1 TRP 55 18.618 2.584 -22.137 434 HE3 TRP 55 HE3 TRP 55 20.418 -2.272 -22.615 435 HZ2 TRP 55 HZ2 TRP 55 17.364 1.185 -24.374 436 HZ3 TRP 55 HZ3 TRP 55 19.009 -2.769 -24.571 437 HH2 TRP 55 HH2 TRP 55 17.461 -1.043 -25.450 438 H ASP 56 H ASP 56 21.685 -3.170 -20.148 439 HA ASP 56 HA ASP 56 19.872 -4.763 -21.079 440 1HB ASP 56 1HB ASP 56 22.179 -5.091 -19.160 441 2HB ASP 56 2HB ASP 56 21.583 -6.520 -19.794 442 H ALA 57 H ALA 57 20.686 -4.892 -17.740 443 HA ALA 57 HA ALA 57 18.870 -6.536 -16.580 444 1HB ALA 57 1HB ALA 57 19.332 -5.154 -14.497 445 2HB ALA 57 2HB ALA 57 19.951 -3.877 -15.548 446 3HB ALA 57 3HB ALA 57 20.773 -5.430 -15.472 447 H TRP 58 H TRP 58 18.213 -3.291 -17.522 448 HA TRP 58 HA TRP 58 15.412 -3.323 -16.485 449 1HB TRP 58 1HB TRP 58 16.753 -1.344 -15.904 450 2HB TRP 58 2HB TRP 58 17.246 -1.139 -17.554 451 HD1 TRP 58 HD1 TRP 58 13.542 -1.981 -17.000 452 HE1 TRP 58 HE1 TRP 58 12.257 0.191 -17.421 453 HE3 TRP 58 HE3 TRP 58 17.300 1.266 -17.236 454 HZ2 TRP 58 HZ2 TRP 58 12.691 2.986 -17.790 455 HZ3 TRP 58 HZ3 TRP 58 16.907 3.723 -17.581 456 HH2 TRP 58 HH2 TRP 58 14.620 4.566 -17.872 457 H ASN 59 H ASN 59 17.234 -3.273 -19.449 458 HA ASN 59 HA ASN 59 14.966 -2.741 -21.251 459 1HB ASN 59 1HB ASN 59 17.464 -2.690 -22.042 460 2HB ASN 59 2HB ASN 59 17.473 -4.424 -21.878 461 1HD2 ASN 59 1HD2 ASN 59 17.413 -5.307 -23.828 462 2HD2 ASN 59 2HD2 ASN 59 16.401 -4.826 -25.118 463 H GLU 60 H GLU 60 16.382 -5.628 -19.707 464 HA GLU 60 HA GLU 60 14.786 -7.548 -20.933 465 1HB GLU 60 1HB GLU 60 16.217 -7.409 -18.213 466 2HB GLU 60 2HB GLU 60 15.473 -8.880 -18.807 467 1HG GLU 60 1HG GLU 60 16.974 -8.809 -20.830 468 2HG GLU 60 2HG GLU 60 17.748 -7.380 -20.200 469 H LEU 61 H LEU 61 13.783 -5.141 -18.721 470 HA LEU 61 HA LEU 61 11.371 -6.673 -18.042 471 1HB LEU 61 1HB LEU 61 12.354 -4.097 -16.710 472 2HB LEU 61 2HB LEU 61 11.140 -5.231 -16.130 473 HG LEU 61 HG LEU 61 14.143 -5.730 -16.199 474 1HD1 LEU 61 1HD1 LEU 61 13.221 -4.242 -14.411 475 2HD1 LEU 61 2HD1 LEU 61 13.709 -5.796 -13.738 476 3HD1 LEU 61 3HD1 LEU 61 12.008 -5.454 -14.031 477 1HD2 LEU 61 1HD2 LEU 61 13.582 -7.877 -15.186 478 2HD2 LEU 61 2HD2 LEU 61 12.808 -7.777 -16.757 479 3HD2 LEU 61 3HD2 LEU 61 11.854 -7.544 -15.299 480 H LYS 62 H LYS 62 12.482 -4.195 -20.068 481 HA LYS 62 HA LYS 62 10.621 -2.208 -20.048 482 1HB LYS 62 1HB LYS 62 12.669 -2.402 -21.381 483 2HB LYS 62 2HB LYS 62 12.050 -3.862 -22.106 484 1HG LYS 62 1HG LYS 62 10.265 -2.644 -23.210 485 2HG LYS 62 2HG LYS 62 10.918 -1.132 -22.610 486 1HD LYS 62 1HD LYS 62 13.177 -1.654 -23.636 487 2HD LYS 62 2HD LYS 62 12.593 -3.223 -24.132 488 1HE LYS 62 1HE LYS 62 11.029 -2.161 -25.722 489 2HE LYS 62 2HE LYS 62 11.630 -0.574 -25.223 490 1HZ LYS 62 1HZ LYS 62 13.877 -2.165 -25.632 491 2HZ LYS 62 2HZ LYS 62 13.381 -0.897 -26.651 492 3HZ LYS 62 3HZ LYS 62 12.866 -2.460 -26.986 493 H GLY 63 H GLY 63 8.328 -2.351 -20.093 494 1HA GLY 63 1HA GLY 63 6.388 -3.068 -21.492 495 2HA GLY 63 2HA GLY 63 7.155 -4.638 -21.673 496 H THR 64 H THR 64 7.840 -4.604 -18.694 497 HA THR 64 HA THR 64 5.327 -5.924 -17.859 498 HB THR 64 HB THR 64 7.384 -5.037 -15.769 499 HG1 THR 64 HG1 THR 64 7.479 -7.591 -16.483 500 1HG2 THR 64 1HG2 THR 64 5.286 -5.988 -14.920 501 2HG2 THR 64 2HG2 THR 64 6.651 -7.016 -14.603 502 3HG2 THR 64 3HG2 THR 64 5.526 -7.436 -15.890 503 H SER 65 H SER 65 3.777 -5.206 -16.156 504 HA SER 65 HA SER 65 3.274 -2.367 -16.293 505 1HB SER 65 1HB SER 65 2.108 -4.571 -14.498 506 2HB SER 65 2HB SER 65 1.455 -2.928 -14.529 507 HG SER 65 HG SER 65 0.379 -3.751 -16.236 508 H LYS 66 H LYS 66 3.878 -0.658 -14.763 509 HA LYS 66 HA LYS 66 6.159 -0.853 -13.299 510 1HB LYS 66 1HB LYS 66 3.633 0.782 -12.740 511 2HB LYS 66 2HB LYS 66 5.166 1.115 -11.964 512 1HG LYS 66 1HG LYS 66 6.306 1.516 -14.085 513 2HG LYS 66 2HG LYS 66 4.916 1.072 -15.024 514 1HD LYS 66 1HD LYS 66 5.062 3.458 -13.108 515 2HD LYS 66 2HD LYS 66 5.265 3.551 -14.847 516 1HE LYS 66 1HE LYS 66 2.955 2.686 -15.193 517 2HE LYS 66 2HE LYS 66 2.737 2.573 -13.454 518 1HZ LYS 66 1HZ LYS 66 2.360 4.865 -15.070 519 2HZ LYS 66 2HZ LYS 66 3.680 5.182 -14.070 520 3HZ LYS 66 3HZ LYS 66 2.173 4.738 -13.398 521 H GLU 67 H GLU 67 3.038 -1.384 -11.943 522 HA GLU 67 HA GLU 67 3.383 -1.902 -9.339 523 1HB GLU 67 1HB GLU 67 1.642 -3.321 -11.394 524 2HB GLU 67 2HB GLU 67 1.324 -3.289 -9.702 525 1HG GLU 67 1HG GLU 67 1.170 -0.685 -9.856 526 2HG GLU 67 2HG GLU 67 1.283 -0.871 -11.594 527 H ASP 68 H ASP 68 3.688 -4.407 -11.789 528 HA ASP 68 HA ASP 68 4.251 -6.524 -10.017 529 1HB ASP 68 1HB ASP 68 4.696 -5.857 -12.932 530 2HB ASP 68 2HB ASP 68 4.932 -7.455 -12.318 531 H ALA 69 H ALA 69 6.010 -4.272 -11.717 532 HA ALA 69 HA ALA 69 8.724 -5.264 -11.191 533 1HB ALA 69 1HB ALA 69 8.010 -2.308 -11.565 534 2HB ALA 69 2HB ALA 69 8.095 -3.447 -12.855 535 3HB ALA 69 3HB ALA 69 9.537 -3.093 -11.894 536 H MET 70 H MET 70 6.571 -2.906 -9.708 537 HA MET 70 HA MET 70 8.149 -2.087 -7.490 538 1HB MET 70 1HB MET 70 5.072 -2.314 -7.698 539 2HB MET 70 2HB MET 70 5.921 -1.375 -6.502 540 1HG MET 70 1HG MET 70 6.652 0.185 -8.020 541 2HG MET 70 2HG MET 70 6.558 -0.873 -9.384 542 1HE MET 70 1HE MET 70 4.519 2.323 -7.817 543 2HE MET 70 2HE MET 70 4.413 2.499 -9.577 544 3HE MET 70 3HE MET 70 5.951 2.120 -8.839 545 H LYS 71 H LYS 71 5.685 -4.752 -7.585 546 HA LYS 71 HA LYS 71 5.990 -5.651 -5.026 547 1HB LYS 71 1HB LYS 71 4.175 -6.226 -6.489 548 2HB LYS 71 2HB LYS 71 5.328 -6.774 -7.705 549 1HG LYS 71 1HG LYS 71 4.276 -8.589 -6.745 550 2HG LYS 71 2HG LYS 71 6.004 -8.555 -6.452 551 1HD LYS 71 1HD LYS 71 5.311 -7.492 -4.052 552 2HD LYS 71 2HD LYS 71 3.708 -8.067 -4.416 553 1HE LYS 71 1HE LYS 71 4.621 -9.760 -3.044 554 2HE LYS 71 2HE LYS 71 4.836 -10.415 -4.664 555 1HZ LYS 71 1HZ LYS 71 7.082 -8.745 -4.049 556 2HZ LYS 71 2HZ LYS 71 7.163 -10.392 -4.246 557 3HZ LYS 71 3HZ LYS 71 6.929 -9.715 -2.779 558 H ALA 72 H ALA 72 8.078 -6.247 -7.735 559 HA ALA 72 HA ALA 72 9.654 -8.284 -6.186 560 1HB ALA 72 1HB ALA 72 10.675 -8.707 -8.421 561 2HB ALA 72 2HB ALA 72 9.796 -7.330 -9.084 562 3HB ALA 72 3HB ALA 72 8.943 -8.743 -8.514 563 H TYR 73 H TYR 73 9.662 -5.010 -7.217 564 HA TYR 73 HA TYR 73 12.472 -4.398 -6.847 565 1HB TYR 73 1HB TYR 73 10.964 -2.680 -8.000 566 2HB TYR 73 2HB TYR 73 9.993 -2.583 -6.554 567 HD1 TYR 73 HD1 TYR 73 13.571 -2.274 -7.577 568 HD2 TYR 73 HD2 TYR 73 10.482 -0.855 -5.007 569 HE1 TYR 73 HE1 TYR 73 15.065 -0.598 -6.665 570 HE2 TYR 73 HE2 TYR 73 12.020 0.843 -4.123 571 HH TYR 73 HH TYR 73 15.177 1.336 -5.530 572 H ILE 74 H ILE 74 9.643 -3.724 -4.937 573 HA ILE 74 HA ILE 74 10.848 -3.013 -2.496 574 HB ILE 74 HB ILE 74 8.161 -4.397 -3.019 575 1HG1 ILE 74 1HG1 ILE 74 8.570 -1.416 -2.550 576 2HG1 ILE 74 2HG1 ILE 74 8.773 -2.057 -4.163 577 1HG2 ILE 74 1HG2 ILE 74 8.962 -4.378 -0.575 578 2HG2 ILE 74 2HG2 ILE 74 7.559 -3.351 -0.814 579 3HG2 ILE 74 3HG2 ILE 74 9.153 -2.625 -0.696 580 1HD1 ILE 74 1HD1 ILE 74 6.510 -3.004 -4.152 581 2HD1 ILE 74 2HD1 ILE 74 6.431 -1.288 -3.791 582 3HD1 ILE 74 3HD1 ILE 74 6.257 -2.459 -2.505 583 H ASP 75 H ASP 75 10.107 -6.233 -3.783 584 HA ASP 75 HA ASP 75 10.692 -7.716 -1.350 585 1HB ASP 75 1HB ASP 75 10.282 -8.229 -4.271 586 2HB ASP 75 2HB ASP 75 11.172 -9.439 -3.434 587 H LYS 76 H LYS 76 12.320 -7.884 -4.203 588 HA LYS 76 HA LYS 76 14.927 -8.495 -3.538 589 1HB LYS 76 1HB LYS 76 14.238 -7.602 -5.877 590 2HB LYS 76 2HB LYS 76 14.664 -5.996 -5.335 591 1HG LYS 76 1HG LYS 76 16.717 -6.967 -6.356 592 2HG LYS 76 2HG LYS 76 16.956 -6.947 -4.625 593 1HD LYS 76 1HD LYS 76 16.566 -9.249 -4.346 594 2HD LYS 76 2HD LYS 76 15.668 -9.427 -5.848 595 1HE LYS 76 1HE LYS 76 17.729 -9.385 -7.079 596 2HE LYS 76 2HE LYS 76 18.646 -8.941 -5.645 597 1HZ LYS 76 1HZ LYS 76 17.891 -11.595 -6.418 598 2HZ LYS 76 2HZ LYS 76 17.044 -11.196 -5.010 599 3HZ LYS 76 3HZ LYS 76 18.736 -11.066 -5.044 600 H VAL 77 H VAL 77 13.792 -5.080 -3.284 601 HA VAL 77 HA VAL 77 15.981 -3.971 -1.900 602 HB VAL 77 HB VAL 77 12.976 -3.529 -1.296 603 1HG1 VAL 77 1HG1 VAL 77 15.425 -1.910 -0.450 604 2HG1 VAL 77 2HG1 VAL 77 14.446 -2.876 0.636 605 3HG1 VAL 77 3HG1 VAL 77 13.774 -1.457 -0.132 606 1HG2 VAL 77 1HG2 VAL 77 13.632 -2.686 -3.597 607 2HG2 VAL 77 2HG2 VAL 77 14.919 -1.769 -2.865 608 3HG2 VAL 77 3HG2 VAL 77 13.259 -1.372 -2.515 609 H GLU 78 H GLU 78 13.196 -5.636 -0.568 610 HA GLU 78 HA GLU 78 14.086 -5.841 2.053 611 1HB GLU 78 1HB GLU 78 11.968 -6.888 0.466 612 2HB GLU 78 2HB GLU 78 12.647 -8.295 1.240 613 1HG GLU 78 1HG GLU 78 11.738 -5.715 2.649 614 2HG GLU 78 2HG GLU 78 10.839 -7.227 2.616 615 H GLU 79 H GLU 79 14.698 -8.210 -0.541 616 HA GLU 79 HA GLU 79 16.291 -10.127 0.864 617 1HB GLU 79 1HB GLU 79 16.633 -9.123 -2.018 618 2HB GLU 79 2HB GLU 79 17.635 -10.375 -1.331 619 1HG GLU 79 1HG GLU 79 15.677 -11.898 -1.114 620 2HG GLU 79 2HG GLU 79 14.617 -10.632 -1.707 621 H LEU 80 H LEU 80 17.130 -7.298 -0.718 622 HA LEU 80 HA LEU 80 20.002 -7.161 -0.269 623 1HB LEU 80 1HB LEU 80 18.061 -4.849 -0.594 624 2HB LEU 80 2HB LEU 80 19.786 -4.658 -0.579 625 HG LEU 80 HG LEU 80 17.984 -5.909 -2.615 626 1HD1 LEU 80 1HD1 LEU 80 18.614 -3.485 -2.714 627 2HD1 LEU 80 2HD1 LEU 80 19.320 -4.377 -4.077 628 3HD1 LEU 80 3HD1 LEU 80 20.310 -3.927 -2.707 629 1HD2 LEU 80 1HD2 LEU 80 19.809 -7.572 -2.379 630 2HD2 LEU 80 2HD2 LEU 80 21.003 -6.282 -2.563 631 3HD2 LEU 80 3HD2 LEU 80 19.905 -6.682 -3.875 632 H LYS 81 H LYS 81 17.304 -5.779 1.433 633 HA LYS 81 HA LYS 81 18.756 -4.617 3.572 634 1HB LYS 81 1HB LYS 81 16.364 -4.103 3.209 635 2HB LYS 81 2HB LYS 81 15.901 -5.767 3.428 636 1HG LYS 81 1HG LYS 81 16.102 -5.739 5.722 637 2HG LYS 81 2HG LYS 81 17.223 -4.452 5.801 638 1HD LYS 81 1HD LYS 81 15.063 -3.109 4.635 639 2HD LYS 81 2HD LYS 81 14.204 -4.439 5.339 640 1HE LYS 81 1HE LYS 81 13.992 -2.748 6.973 641 2HE LYS 81 2HE LYS 81 15.313 -3.739 7.569 642 1HZ LYS 81 1HZ LYS 81 15.382 -1.003 6.623 643 2HZ LYS 81 2HZ LYS 81 16.578 -1.907 5.938 644 3HZ LYS 81 3HZ LYS 81 16.574 -1.859 7.581 645 H LYS 82 H LYS 82 17.281 -7.759 3.412 646 HA LYS 82 HA LYS 82 18.234 -8.669 5.895 647 1HB LYS 82 1HB LYS 82 17.349 -10.172 3.452 648 2HB LYS 82 2HB LYS 82 17.532 -10.937 5.025 649 1HG LYS 82 1HG LYS 82 15.738 -8.527 4.465 650 2HG LYS 82 2HG LYS 82 15.113 -10.154 4.625 651 1HD LYS 82 1HD LYS 82 16.211 -10.134 7.007 652 2HD LYS 82 2HD LYS 82 16.464 -8.413 6.785 653 1HE LYS 82 1HE LYS 82 13.798 -9.814 6.855 654 2HE LYS 82 2HE LYS 82 14.472 -8.806 8.127 655 1HZ LYS 82 1HZ LYS 82 12.949 -7.979 5.914 656 2HZ LYS 82 2HZ LYS 82 14.432 -7.429 5.583 657 3HZ LYS 82 3HZ LYS 82 13.676 -6.926 7.005 658 H LYS 83 H LYS 83 19.668 -8.702 2.855 659 HA LYS 83 HA LYS 83 21.910 -10.482 3.533 660 1HB LYS 83 1HB LYS 83 21.324 -8.754 1.115 661 2HB LYS 83 2HB LYS 83 22.738 -9.775 1.218 662 1HG LYS 83 1HG LYS 83 21.451 -11.756 1.236 663 2HG LYS 83 2HG LYS 83 19.972 -10.899 1.634 664 1HD LYS 83 1HD LYS 83 19.854 -9.837 -0.549 665 2HD LYS 83 2HD LYS 83 21.470 -10.357 -0.987 666 1HE LYS 83 1HE LYS 83 20.807 -12.629 -1.136 667 2HE LYS 83 2HE LYS 83 19.286 -12.320 -0.309 668 1HZ LYS 83 1HZ LYS 83 19.343 -10.586 -2.538 669 2HZ LYS 83 2HZ LYS 83 18.368 -11.941 -2.335 670 3HZ LYS 83 3HZ LYS 83 19.861 -12.041 -3.123 671 H TYR 84 H TYR 84 21.634 -7.022 2.884 672 HA TYR 84 HA TYR 84 24.424 -6.605 3.572 673 1HB TYR 84 1HB TYR 84 22.250 -5.007 2.213 674 2HB TYR 84 2HB TYR 84 23.840 -4.335 2.383 675 HD1 TYR 84 HD1 TYR 84 25.814 -6.135 1.703 676 HD2 TYR 84 HD2 TYR 84 21.841 -6.129 0.242 677 HE1 TYR 84 HE1 TYR 84 26.530 -7.428 -0.265 678 HE2 TYR 84 HE2 TYR 84 22.570 -7.453 -1.750 679 HH TYR 84 HH TYR 84 25.219 -9.096 -1.850 680 H GLY 85 H GLY 85 21.412 -5.599 5.301 681 1HA GLY 85 1HA GLY 85 21.750 -4.812 7.621 682 2HA GLY 85 2HA GLY 85 23.409 -4.363 7.215 683 H ILE 86 H ILE 86 20.281 -3.281 7.589 684 HA ILE 86 HA ILE 86 20.800 -0.585 6.868 685 HB ILE 86 HB ILE 86 20.340 -1.470 4.715 686 1HG1 ILE 86 1HG1 ILE 86 18.041 0.063 6.029 687 2HG1 ILE 86 2HG1 ILE 86 19.200 0.643 4.874 688 1HG2 ILE 86 1HG2 ILE 86 18.284 -2.799 4.219 689 2HG2 ILE 86 2HG2 ILE 86 18.029 -2.793 5.964 690 3HG2 ILE 86 3HG2 ILE 86 19.422 -3.600 5.308 691 1HD1 ILE 86 1HD1 ILE 86 16.895 -1.238 4.166 692 2HD1 ILE 86 2HD1 ILE 86 18.074 -0.599 3.045 693 3HD1 ILE 86 3HD1 ILE 86 16.965 0.475 3.870 694 AH2 COA 1 AH2 COA 1 17.472 1.074 -7.908 695 AH61 COA 1 AH61 COA 1 15.193 2.872 -4.604 696 AH62 COA 1 AH62 COA 1 15.834 4.501 -4.349 697 AH8 COA 1 AH8 COA 1 18.641 7.374 -7.136 698 AH1* COA 1 AH1* COA 1 19.444 4.643 -9.826 699 AH2* COA 1 AH2* COA 1 19.581 7.607 -9.140 700 AHO2 COA 1 AHO2 COA 1 19.490 7.310 -11.617 701 AH3* COA 1 AH3* COA 1 21.673 7.692 -10.318 702 AH4* COA 1 AH4* COA 1 22.697 5.364 -9.312 703 AH51 COA 1 AH51 COA 1 22.748 6.167 -7.001 704 AH52 COA 1 AH52 COA 1 23.061 7.530 -8.014 705 1H12 COA 1 1H12 COA 1 23.185 8.427 -2.487 706 2H12 COA 1 2H12 COA 1 22.049 7.155 -2.146 707 1H13 COA 1 1H13 COA 1 24.899 8.141 -4.241 708 2H13 COA 1 2H13 COA 1 24.926 6.762 -5.344 709 3H13 COA 1 3H13 COA 1 23.562 7.846 -5.337 710 1H14 COA 1 1H14 COA 1 22.258 4.935 -3.426 711 2H14 COA 1 2H14 COA 1 21.976 5.916 -4.870 712 3H14 COA 1 3H14 COA 1 23.343 4.823 -4.808 713 H10 COA 1 H10 COA 1 25.255 6.856 -2.280 714 HO1 COA 1 HO1 COA 1 25.299 5.500 -4.388 715 HN8 COA 1 HN8 COA 1 24.379 6.808 -0.350 716 1H7 COA 1 1H7 COA 1 22.751 5.662 1.260 717 2H7 COA 1 2H7 COA 1 23.434 4.138 0.693 718 1H6 COA 1 1H6 COA 1 24.602 4.783 2.796 719 2H6 COA 1 2H6 COA 1 24.822 6.415 2.143 720 HN4 COA 1 HN4 COA 1 25.575 3.283 0.599 721 1H3 COA 1 1H3 COA 1 28.437 4.267 0.496 722 2H3 COA 1 2H3 COA 1 27.997 2.570 0.651 723 1H2 COA 1 1H2 COA 1 28.564 3.634 -1.733 724 2H2 COA 1 2H2 COA 1 26.907 4.153 -1.663 725 1H2 PLY 2 1H2 PLY 2 25.002 0.727 -3.311 726 2H2 PLY 2 2H2 PLY 2 24.532 2.436 -3.371 727 1H3 PLY 2 1H3 PLY 2 23.025 0.138 -2.047 728 2H3 PLY 2 2H3 PLY 2 22.633 1.820 -1.770 729 1H4 PLY 2 1H4 PLY 2 21.139 1.559 -3.779 730 2H4 PLY 2 2H4 PLY 2 22.643 1.926 -4.564 731 1H5 PLY 2 1H5 PLY 2 22.802 -0.824 -4.341 732 2H5 PLY 2 2H5 PLY 2 21.081 -0.537 -4.530 733 1H6 PLY 2 1H6 PLY 2 22.216 -0.893 -6.700 734 2H6 PLY 2 2H6 PLY 2 23.192 0.517 -6.418 735 1H7 PLY 2 1H7 PLY 2 20.260 0.968 -6.232 736 2H7 PLY 2 2H7 PLY 2 20.765 0.509 -7.807 737 1H8 PLY 2 1H8 PLY 2 20.723 2.975 -7.547 738 2H8 PLY 2 2H8 PLY 2 21.711 2.901 -6.126 739 1H9 PLY 2 1H9 PLY 2 23.664 2.137 -7.558 740 2H9 PLY 2 2H9 PLY 2 23.053 3.718 -7.928 741 1HA PLY 2 1HA PLY 2 21.653 2.569 -9.780 742 2HA PLY 2 2HA PLY 2 23.334 2.864 -10.056 743 1HB PLY 2 1HB PLY 2 22.084 0.214 -9.249 744 2HB PLY 2 2HB PLY 2 23.806 0.525 -9.184 745 1HC PLY 2 1HC PLY 2 22.083 0.769 -11.705 746 2HC PLY 2 2HC PLY 2 23.787 1.066 -11.607 747 1HD PLY 2 1HD PLY 2 23.404 -1.259 -12.492 748 2HD PLY 2 2HD PLY 2 22.486 -1.678 -11.055 749 1HE PLY 2 1HE PLY 2 24.297 -1.464 -9.748 750 2HE PLY 2 2HE PLY 2 25.191 -0.450 -10.941 751 1HF PLY 2 1HF PLY 2 24.807 -2.839 -12.299 752 2HF PLY 2 2HF PLY 2 25.153 -3.410 -10.666 753 1HG PLY 2 1HG PLY 2 27.153 -3.185 -12.022 754 2HG PLY 2 2HG PLY 2 27.175 -2.068 -10.651 755 3HG PLY 2 3HG PLY 2 26.824 -1.485 -12.281 Start of MODEL 8 1 1H SER 1 1H SER 1 7.042 7.630 -5.086 2 2H SER 1 2H SER 1 8.061 7.795 -6.383 3 H SER 1 H SER 1 6.718 8.840 -6.233 4 HA SER 1 HA SER 1 5.520 7.359 -7.423 5 1HB SER 1 1HB SER 1 7.074 5.213 -8.180 6 2HB SER 1 2HB SER 1 7.319 6.824 -8.836 7 HG SER 1 HG SER 1 8.595 5.943 -6.394 8 H GLN 2 H GLN 2 4.530 6.913 -4.945 9 HA GLN 2 HA GLN 2 2.955 5.293 -4.114 10 1HB GLN 2 1HB GLN 2 3.309 3.552 -5.888 11 2HB GLN 2 2HB GLN 2 4.867 3.146 -5.222 12 1HG GLN 2 1HG GLN 2 3.777 2.404 -3.042 13 2HG GLN 2 2HG GLN 2 2.233 2.620 -3.835 14 1HE2 GLN 2 1HE2 GLN 2 4.817 0.320 -3.416 15 2HE2 GLN 2 2HE2 GLN 2 4.226 -0.701 -4.647 16 H ALA 3 H ALA 3 3.169 5.599 -1.888 17 HA ALA 3 HA ALA 3 5.431 5.775 -0.355 18 1HB ALA 3 1HB ALA 3 2.835 4.407 0.442 19 2HB ALA 3 2HB ALA 3 3.140 6.136 0.478 20 3HB ALA 3 3HB ALA 3 3.999 5.071 1.564 21 H GLU 4 H GLU 4 3.936 2.485 -0.873 22 HA GLU 4 HA GLU 4 5.862 1.145 0.631 23 1HB GLU 4 1HB GLU 4 3.840 0.456 -1.477 24 2HB GLU 4 2HB GLU 4 5.001 -0.765 -1.091 25 1HG GLU 4 1HG GLU 4 4.341 -0.436 1.400 26 2HG GLU 4 2HG GLU 4 3.031 0.571 0.830 27 H PHE 5 H PHE 5 5.872 1.784 -2.658 28 HA PHE 5 HA PHE 5 8.335 0.430 -3.260 29 1HB PHE 5 1HB PHE 5 6.512 0.733 -4.840 30 2HB PHE 5 2HB PHE 5 6.547 2.435 -4.401 31 HD1 PHE 5 HD1 PHE 5 8.556 -0.304 -6.016 32 HD2 PHE 5 HD2 PHE 5 8.089 3.889 -5.562 33 HE1 PHE 5 HE1 PHE 5 10.282 0.060 -7.717 34 HE2 PHE 5 HE2 PHE 5 9.829 4.266 -7.279 35 HZ PHE 5 HZ PHE 5 10.926 2.338 -8.365 36 H ASP 6 H ASP 6 7.437 3.822 -2.690 37 HA ASP 6 HA ASP 6 9.917 5.046 -3.155 38 1HB ASP 6 1HB ASP 6 7.404 5.641 -1.558 39 2HB ASP 6 2HB ASP 6 8.668 6.815 -1.727 40 H LYS 7 H LYS 7 8.396 3.771 -0.385 41 HA LYS 7 HA LYS 7 10.304 4.425 1.614 42 1HB LYS 7 1HB LYS 7 8.098 3.600 2.298 43 2HB LYS 7 2HB LYS 7 8.233 2.161 1.312 44 1HG LYS 7 1HG LYS 7 9.963 1.210 2.821 45 2HG LYS 7 2HG LYS 7 10.166 2.739 3.634 46 1HD LYS 7 1HD LYS 7 8.940 1.180 5.091 47 2HD LYS 7 2HD LYS 7 7.922 2.536 4.667 48 1HE LYS 7 1HE LYS 7 6.685 1.199 3.053 49 2HE LYS 7 2HE LYS 7 7.759 -0.172 3.258 50 1HZ LYS 7 1HZ LYS 7 6.491 -0.864 4.990 51 2HZ LYS 7 2HZ LYS 7 5.466 0.472 4.831 52 3HZ LYS 7 3HZ LYS 7 6.856 0.559 5.828 53 H ALA 8 H ALA 8 9.826 1.689 -0.595 54 HA ALA 8 HA ALA 8 12.169 0.250 0.296 55 1HB ALA 8 1HB ALA 8 10.783 0.291 -2.471 56 2HB ALA 8 2HB ALA 8 10.268 -0.663 -1.104 57 3HB ALA 8 3HB ALA 8 11.787 -1.006 -1.883 58 H ALA 9 H ALA 9 11.717 2.624 -2.491 59 HA ALA 9 HA ALA 9 14.380 2.823 -3.204 60 1HB ALA 9 1HB ALA 9 13.726 5.212 -3.929 61 2HB ALA 9 2HB ALA 9 12.276 5.033 -2.990 62 3HB ALA 9 3HB ALA 9 12.521 3.998 -4.374 63 H GLU 10 H GLU 10 12.898 4.816 -0.592 64 HA GLU 10 HA GLU 10 15.190 6.261 0.198 65 1HB GLU 10 1HB GLU 10 12.853 5.138 1.888 66 2HB GLU 10 2HB GLU 10 13.962 6.346 2.481 67 1HG GLU 10 1HG GLU 10 13.152 7.963 0.811 68 2HG GLU 10 2HG GLU 10 12.137 6.762 0.053 69 H GLU 11 H GLU 11 13.836 3.368 1.625 70 HA GLU 11 HA GLU 11 15.880 2.749 3.303 71 1HB GLU 11 1HB GLU 11 13.852 1.160 1.742 72 2HB GLU 11 2HB GLU 11 14.926 0.323 2.824 73 1HG GLU 11 1HG GLU 11 13.932 2.636 4.256 74 2HG GLU 11 2HG GLU 11 12.582 1.886 3.493 75 H VAL 12 H VAL 12 15.674 1.620 -0.135 76 HA VAL 12 HA VAL 12 18.062 0.094 -0.015 77 HB VAL 12 HB VAL 12 15.857 0.300 -1.642 78 1HG1 VAL 12 1HG1 VAL 12 16.587 0.929 -3.896 79 2HG1 VAL 12 2HG1 VAL 12 18.164 1.426 -3.337 80 3HG1 VAL 12 3HG1 VAL 12 16.723 2.333 -2.874 81 1HG2 VAL 12 1HG2 VAL 12 16.926 -1.271 -3.137 82 2HG2 VAL 12 2HG2 VAL 12 17.289 -1.668 -1.457 83 3HG2 VAL 12 3HG2 VAL 12 18.488 -0.880 -2.491 84 H LYS 13 H LYS 13 17.343 3.371 -1.254 85 HA LYS 13 HA LYS 13 19.885 3.935 -2.297 86 1HB LYS 13 1HB LYS 13 17.484 5.465 -1.548 87 2HB LYS 13 2HB LYS 13 18.966 6.283 -1.099 88 1HG LYS 13 1HG LYS 13 19.847 5.883 -3.463 89 2HG LYS 13 2HG LYS 13 18.293 5.223 -3.896 90 1HD LYS 13 1HD LYS 13 18.411 7.536 -4.672 91 2HD LYS 13 2HD LYS 13 17.243 7.443 -3.367 92 1HE LYS 13 1HE LYS 13 18.623 8.612 -1.864 93 2HE LYS 13 2HE LYS 13 20.095 8.090 -2.650 94 1HZ LYS 13 1HZ LYS 13 20.135 9.861 -3.837 95 2HZ LYS 13 2HZ LYS 13 18.740 10.551 -3.175 96 3HZ LYS 13 3HZ LYS 13 18.710 9.565 -4.585 97 H HIS 14 H HIS 14 18.884 3.559 0.860 98 HA HIS 14 HA HIS 14 21.333 4.763 1.998 99 1HB HIS 14 1HB HIS 14 18.877 3.519 3.279 100 2HB HIS 14 2HB HIS 14 20.225 4.134 4.221 101 HD1 HIS 14 HD1 HIS 14 17.153 5.219 2.730 102 HD2 HIS 14 HD2 HIS 14 20.682 7.012 3.778 103 HE1 HIS 14 HE1 HIS 14 16.712 7.664 2.827 104 H LEU 15 H LEU 15 20.848 1.806 0.717 105 HA LEU 15 HA LEU 15 21.687 -0.135 2.525 106 1HB LEU 15 1HB LEU 15 21.687 0.170 -0.432 107 2HB LEU 15 2HB LEU 15 22.623 -1.178 0.160 108 HG LEU 15 HG LEU 15 19.727 -0.658 0.877 109 1HD1 LEU 15 1HD1 LEU 15 20.140 -1.299 -1.534 110 2HD1 LEU 15 2HD1 LEU 15 19.337 -2.614 -0.687 111 3HD1 LEU 15 3HD1 LEU 15 21.056 -2.695 -1.011 112 1HD2 LEU 15 1HD2 LEU 15 19.803 -3.012 1.701 113 2HD2 LEU 15 2HD2 LEU 15 20.999 -2.065 2.559 114 3HD2 LEU 15 3HD2 LEU 15 21.506 -3.130 1.261 115 H LYS 16 H LYS 16 23.453 1.695 3.265 116 HA LYS 16 HA LYS 16 25.893 2.164 2.994 117 1HB LYS 16 1HB LYS 16 26.430 1.488 5.346 118 2HB LYS 16 2HB LYS 16 24.897 2.311 5.167 119 1HG LYS 16 1HG LYS 16 23.644 0.207 5.407 120 2HG LYS 16 2HG LYS 16 25.127 -0.756 5.315 121 1HD LYS 16 1HD LYS 16 26.035 0.410 7.328 122 2HD LYS 16 2HD LYS 16 24.561 1.321 7.493 123 1HE LYS 16 1HE LYS 16 24.550 -1.712 7.637 124 2HE LYS 16 2HE LYS 16 24.960 -0.745 9.037 125 1HZ LYS 16 1HZ LYS 16 22.604 0.229 7.723 126 2HZ LYS 16 2HZ LYS 16 22.798 -0.233 9.347 127 3HZ LYS 16 3HZ LYS 16 22.425 -1.418 8.218 128 H THR 17 H THR 17 25.149 -1.147 3.091 129 HA THR 17 HA THR 17 28.030 -1.865 2.765 130 HB THR 17 HB THR 17 25.587 -3.575 3.537 131 HG1 THR 17 HG1 THR 17 27.639 -3.532 5.198 132 1HG2 THR 17 1HG2 THR 17 28.607 -4.206 3.529 133 2HG2 THR 17 2HG2 THR 17 27.546 -4.790 2.283 134 3HG2 THR 17 3HG2 THR 17 27.325 -5.339 3.932 135 H LYS 18 H LYS 18 27.122 -0.674 1.027 136 HA LYS 18 HA LYS 18 25.952 -0.800 -1.348 137 1HB LYS 18 1HB LYS 18 28.159 -0.263 -2.535 138 2HB LYS 18 2HB LYS 18 27.854 0.668 -1.088 139 1HG LYS 18 1HG LYS 18 29.269 -1.339 0.072 140 2HG LYS 18 2HG LYS 18 29.784 -1.613 -1.561 141 1HD LYS 18 1HD LYS 18 31.392 -0.063 -1.226 142 2HD LYS 18 2HD LYS 18 30.144 1.149 -1.368 143 1HE LYS 18 1HE LYS 18 30.829 -0.186 1.291 144 2HE LYS 18 2HE LYS 18 31.658 1.243 0.719 145 1HZ LYS 18 1HZ LYS 18 28.873 1.822 0.517 146 2HZ LYS 18 2HZ LYS 18 29.996 2.453 1.595 147 3HZ LYS 18 3HZ LYS 18 29.087 1.099 1.984 148 HA PRO 19 HA PRO 19 26.022 -5.386 -1.850 149 1HB PRO 19 1HB PRO 19 23.749 -4.401 -3.609 150 2HB PRO 19 2HB PRO 19 23.864 -5.872 -2.657 151 1HG PRO 19 1HG PRO 19 22.587 -3.839 -1.606 152 2HG PRO 19 2HG PRO 19 23.749 -4.657 -0.570 153 1HD PRO 19 1HD PRO 19 24.133 -2.044 -2.109 154 2HD PRO 19 2HD PRO 19 24.584 -2.426 -0.431 155 H ALA 20 H ALA 20 25.782 -6.854 -3.677 156 HA ALA 20 HA ALA 20 27.922 -6.233 -5.601 157 1HB ALA 20 1HB ALA 20 27.784 -8.468 -4.526 158 2HB ALA 20 2HB ALA 20 27.671 -8.630 -6.270 159 3HB ALA 20 3HB ALA 20 26.221 -8.753 -5.288 160 H ASP 21 H ASP 21 27.823 -6.272 -7.893 161 HA ASP 21 HA ASP 21 25.911 -4.853 -9.157 162 1HB ASP 21 1HB ASP 21 27.490 -7.278 -10.292 163 2HB ASP 21 2HB ASP 21 26.816 -5.964 -11.258 164 H GLU 22 H GLU 22 25.751 -8.393 -9.545 165 HA GLU 22 HA GLU 22 23.318 -8.384 -10.847 166 1HB GLU 22 1HB GLU 22 24.394 -10.321 -8.669 167 2HB GLU 22 2HB GLU 22 22.922 -10.733 -9.508 168 1HG GLU 22 1HG GLU 22 24.101 -10.912 -11.635 169 2HG GLU 22 2HG GLU 22 25.580 -10.237 -10.967 170 H GLU 23 H GLU 23 23.493 -8.641 -7.291 171 HA GLU 23 HA GLU 23 20.650 -8.326 -7.014 172 1HB GLU 23 1HB GLU 23 22.994 -8.078 -4.987 173 2HB GLU 23 2HB GLU 23 21.420 -7.584 -4.541 174 1HG GLU 23 1HG GLU 23 20.745 -10.059 -5.437 175 2HG GLU 23 2HG GLU 23 22.467 -10.306 -5.283 176 H MET 24 H MET 24 23.225 -5.929 -7.379 177 HA MET 24 HA MET 24 21.707 -3.623 -6.541 178 1HB MET 24 1HB MET 24 24.143 -4.184 -8.314 179 2HB MET 24 2HB MET 24 23.656 -2.562 -8.092 180 1HG MET 24 1HG MET 24 24.303 -4.506 -5.836 181 2HG MET 24 2HG MET 24 25.488 -3.448 -6.546 182 1HE MET 24 1HE MET 24 24.455 -0.050 -5.638 183 2HE MET 24 2HE MET 24 24.892 -1.097 -6.966 184 3HE MET 24 3HE MET 24 25.946 -1.001 -5.539 185 H LEU 25 H LEU 25 22.549 -4.950 -9.615 186 HA LEU 25 HA LEU 25 21.115 -3.657 -11.497 187 1HB LEU 25 1HB LEU 25 22.120 -6.417 -11.031 188 2HB LEU 25 2HB LEU 25 21.177 -6.249 -12.421 189 HG LEU 25 HG LEU 25 23.839 -5.118 -11.632 190 1HD1 LEU 25 1HD1 LEU 25 22.742 -6.412 -14.130 191 2HD1 LEU 25 2HD1 LEU 25 23.605 -7.226 -12.824 192 3HD1 LEU 25 3HD1 LEU 25 24.438 -6.063 -13.821 193 1HD2 LEU 25 1HD2 LEU 25 23.745 -3.544 -13.674 194 2HD2 LEU 25 2HD2 LEU 25 22.496 -3.070 -12.601 195 3HD2 LEU 25 3HD2 LEU 25 22.103 -4.056 -13.990 196 H PHE 26 H PHE 26 19.971 -6.339 -9.616 197 HA PHE 26 HA PHE 26 17.368 -6.527 -10.841 198 1HB PHE 26 1HB PHE 26 18.360 -8.129 -9.111 199 2HB PHE 26 2HB PHE 26 18.073 -6.890 -7.901 200 HD1 PHE 26 HD1 PHE 26 15.493 -5.870 -8.092 201 HD2 PHE 26 HD2 PHE 26 16.693 -9.809 -9.218 202 HE1 PHE 26 HE1 PHE 26 13.225 -6.633 -7.852 203 HE2 PHE 26 HE2 PHE 26 14.355 -10.565 -8.969 204 HZ PHE 26 HZ PHE 26 12.604 -8.944 -8.268 205 H ILE 27 H ILE 27 18.350 -4.779 -7.842 206 HA ILE 27 HA ILE 27 15.987 -3.228 -7.644 207 HB ILE 27 HB ILE 27 18.842 -2.967 -6.732 208 1HG1 ILE 27 1HG1 ILE 27 17.301 -4.451 -5.588 209 2HG1 ILE 27 2HG1 ILE 27 17.807 -3.132 -4.527 210 1HG2 ILE 27 1HG2 ILE 27 16.863 -0.740 -6.192 211 2HG2 ILE 27 2HG2 ILE 27 18.335 -0.608 -7.146 212 3HG2 ILE 27 3HG2 ILE 27 18.397 -0.939 -5.432 213 1HD1 ILE 27 1HD1 ILE 27 15.412 -3.606 -4.244 214 2HD1 ILE 27 2HD1 ILE 27 15.066 -3.318 -5.912 215 3HD1 ILE 27 3HD1 ILE 27 15.624 -1.998 -4.900 216 H TYR 28 H TYR 28 18.975 -2.262 -9.271 217 HA TYR 28 HA TYR 28 18.191 0.256 -10.225 218 1HB TYR 28 1HB TYR 28 20.407 -0.964 -10.477 219 2HB TYR 28 2HB TYR 28 19.730 -1.846 -11.822 220 HD1 TYR 28 HD1 TYR 28 21.063 1.345 -10.730 221 HD2 TYR 28 HD2 TYR 28 19.154 -0.684 -13.935 222 HE1 TYR 28 HE1 TYR 28 21.725 3.135 -12.262 223 HE2 TYR 28 HE2 TYR 28 19.815 1.153 -15.432 224 HH TYR 28 HH TYR 28 20.899 4.046 -14.571 225 H SER 29 H SER 29 17.802 -2.752 -11.942 226 HA SER 29 HA SER 29 16.153 -1.808 -14.117 227 1HB SER 29 1HB SER 29 15.523 -4.280 -14.443 228 2HB SER 29 2HB SER 29 17.241 -4.102 -14.193 229 HG SER 29 HG SER 29 16.973 -4.526 -12.042 230 H HIS 30 H HIS 30 15.199 -3.561 -11.206 231 HA HIS 30 HA HIS 30 12.413 -3.409 -11.646 232 1HB HIS 30 1HB HIS 30 14.221 -3.689 -9.236 233 2HB HIS 30 2HB HIS 30 12.472 -3.673 -9.052 234 HD1 HIS 30 HD1 HIS 30 14.986 -5.413 -11.339 235 HD2 HIS 30 HD2 HIS 30 11.285 -5.958 -9.697 236 HE1 HIS 30 HE1 HIS 30 14.232 -7.685 -12.013 237 H TYR 31 H TYR 31 14.451 -1.066 -9.844 238 HA TYR 31 HA TYR 31 12.434 0.740 -9.224 239 1HB TYR 31 1HB TYR 31 14.776 0.641 -8.363 240 2HB TYR 31 2HB TYR 31 15.373 1.188 -9.892 241 HD1 TYR 31 HD1 TYR 31 15.536 3.342 -10.333 242 HD2 TYR 31 HD2 TYR 31 12.929 2.177 -7.216 243 HE1 TYR 31 HE1 TYR 31 15.133 5.705 -9.832 244 HE2 TYR 31 HE2 TYR 31 12.513 4.555 -6.670 245 HH TYR 31 HH TYR 31 14.015 6.771 -7.081 246 H LYS 32 H LYS 32 14.764 0.955 -12.054 247 HA LYS 32 HA LYS 32 13.388 3.091 -13.282 248 1HB LYS 32 1HB LYS 32 15.384 0.991 -14.106 249 2HB LYS 32 2HB LYS 32 14.342 1.451 -15.386 250 1HG LYS 32 1HG LYS 32 15.342 3.419 -15.722 251 2HG LYS 32 2HG LYS 32 14.934 3.890 -14.088 252 1HD LYS 32 1HD LYS 32 17.516 2.461 -14.717 253 2HD LYS 32 2HD LYS 32 17.311 4.210 -14.605 254 1HE LYS 32 1HE LYS 32 16.567 4.131 -12.400 255 2HE LYS 32 2HE LYS 32 16.684 2.358 -12.383 256 1HZ LYS 32 1HZ LYS 32 18.949 2.569 -11.937 257 2HZ LYS 32 2HZ LYS 32 18.868 4.285 -12.065 258 3HZ LYS 32 3HZ LYS 32 19.147 3.466 -13.344 259 H GLN 33 H GLN 33 12.808 -0.409 -13.590 260 HA GLN 33 HA GLN 33 10.707 -0.324 -15.461 261 1HB GLN 33 1HB GLN 33 11.475 -2.092 -13.121 262 2HB GLN 33 2HB GLN 33 9.916 -2.353 -13.842 263 1HG GLN 33 1HG GLN 33 12.524 -2.392 -15.371 264 2HG GLN 33 2HG GLN 33 11.689 -3.810 -14.764 265 1HE2 GLN 33 1HE2 GLN 33 9.036 -3.292 -15.230 266 2HE2 GLN 33 2HE2 GLN 33 8.792 -3.106 -16.904 267 H ALA 34 H ALA 34 10.274 -0.731 -12.052 268 HA ALA 34 HA ALA 34 7.641 -0.188 -11.626 269 1HB ALA 34 1HB ALA 34 10.032 0.482 -9.914 270 2HB ALA 34 2HB ALA 34 9.247 -1.086 -9.965 271 3HB ALA 34 3HB ALA 34 8.388 0.302 -9.313 272 H THR 35 H THR 35 10.082 2.309 -12.329 273 HA THR 35 HA THR 35 8.047 4.394 -11.616 274 HB THR 35 HB THR 35 9.966 6.019 -11.639 275 HG1 THR 35 HG1 THR 35 11.520 3.697 -11.881 276 1HG2 THR 35 1HG2 THR 35 10.654 3.454 -10.110 277 2HG2 THR 35 2HG2 THR 35 9.554 4.668 -9.490 278 3HG2 THR 35 3HG2 THR 35 11.238 5.078 -9.758 279 H VAL 36 H VAL 36 10.336 3.586 -14.191 280 HA VAL 36 HA VAL 36 9.106 5.587 -15.999 281 HB VAL 36 HB VAL 36 11.527 3.667 -16.447 282 1HG1 VAL 36 1HG1 VAL 36 10.471 5.996 -18.126 283 2HG1 VAL 36 2HG1 VAL 36 10.368 4.305 -18.588 284 3HG1 VAL 36 3HG1 VAL 36 11.924 5.084 -18.463 285 1HG2 VAL 36 1HG2 VAL 36 11.950 5.453 -14.751 286 2HG2 VAL 36 2HG2 VAL 36 11.457 6.668 -15.911 287 3HG2 VAL 36 3HG2 VAL 36 12.890 5.705 -16.211 288 H GLY 37 H GLY 37 9.787 2.195 -15.969 289 1HA GLY 37 1HA GLY 37 8.084 0.435 -16.472 290 2HA GLY 37 2HA GLY 37 7.362 1.535 -17.664 291 H ASP 38 H ASP 38 7.931 1.106 -19.705 292 HA ASP 38 HA ASP 38 10.013 -0.770 -20.371 293 1HB ASP 38 1HB ASP 38 8.154 1.090 -21.919 294 2HB ASP 38 2HB ASP 38 9.258 0.025 -22.765 295 H ILE 39 H ILE 39 11.845 -0.232 -21.838 296 HA ILE 39 HA ILE 39 13.112 2.322 -20.917 297 HB ILE 39 HB ILE 39 14.118 0.020 -20.603 298 1HG1 ILE 39 1HG1 ILE 39 15.905 1.759 -22.367 299 2HG1 ILE 39 2HG1 ILE 39 15.487 2.212 -20.716 300 1HG2 ILE 39 1HG2 ILE 39 15.230 -0.982 -22.633 301 2HG2 ILE 39 2HG2 ILE 39 14.491 0.225 -23.640 302 3HG2 ILE 39 3HG2 ILE 39 13.499 -0.962 -22.824 303 1HD1 ILE 39 1HD1 ILE 39 16.873 -0.419 -21.539 304 2HD1 ILE 39 2HD1 ILE 39 16.399 -0.013 -19.910 305 3HD1 ILE 39 3HD1 ILE 39 17.624 0.923 -20.712 306 H ASN 40 H ASN 40 13.516 4.078 -22.320 307 HA ASN 40 HA ASN 40 13.035 3.623 -25.228 308 1HB ASN 40 1HB ASN 40 12.200 6.150 -24.999 309 2HB ASN 40 2HB ASN 40 11.127 4.851 -24.492 310 1HD2 ASN 40 1HD2 ASN 40 10.057 6.101 -22.852 311 2HD2 ASN 40 2HD2 ASN 40 10.900 6.597 -21.455 312 H THR 41 H THR 41 15.445 3.712 -23.525 313 HA THR 41 HA THR 41 17.020 5.886 -24.846 314 HB THR 41 HB THR 41 18.607 5.637 -22.886 315 HG1 THR 41 HG1 THR 41 17.263 3.888 -21.450 316 1HG2 THR 41 1HG2 THR 41 15.747 5.237 -21.749 317 2HG2 THR 41 2HG2 THR 41 16.314 6.804 -22.266 318 3HG2 THR 41 3HG2 THR 41 17.096 5.993 -20.921 319 H GLU 42 H GLU 42 19.412 5.108 -25.288 320 HA GLU 42 HA GLU 42 19.198 2.386 -26.527 321 1HB GLU 42 1HB GLU 42 20.638 3.165 -28.248 322 2HB GLU 42 2HB GLU 42 19.663 4.570 -27.912 323 1HG GLU 42 1HG GLU 42 21.524 5.432 -26.352 324 2HG GLU 42 2HG GLU 42 22.514 4.091 -26.894 325 H ARG 43 H ARG 43 21.105 1.011 -26.475 326 HA ARG 43 HA ARG 43 22.122 0.741 -23.940 327 1HB ARG 43 1HB ARG 43 21.718 -0.867 -25.754 328 2HB ARG 43 2HB ARG 43 23.213 -0.358 -26.523 329 1HG ARG 43 1HG ARG 43 24.530 -1.210 -24.687 330 2HG ARG 43 2HG ARG 43 23.101 -1.341 -23.659 331 1HD ARG 43 1HD ARG 43 22.108 -3.023 -25.102 332 2HD ARG 43 2HD ARG 43 23.473 -2.926 -26.215 333 HE ARG 43 HE ARG 43 23.814 -3.672 -23.311 334 1HH1 ARG 43 1HH1 ARG 43 25.802 -3.392 -25.585 335 2HH1 ARG 43 2HH1 ARG 43 26.230 -5.062 -25.875 336 1HH2 ARG 43 1HH2 ARG 43 23.423 -5.911 -23.915 337 2HH2 ARG 43 2HH2 ARG 43 24.700 -6.662 -24.838 338 HA PRO 44 HA PRO 44 25.546 3.468 -23.352 339 1HB PRO 44 1HB PRO 44 26.690 1.034 -21.793 340 2HB PRO 44 2HB PRO 44 26.622 2.730 -21.330 341 1HG PRO 44 1HG PRO 44 24.632 1.233 -20.423 342 2HG PRO 44 2HG PRO 44 24.152 2.709 -21.214 343 1HD PRO 44 1HD PRO 44 24.339 -0.066 -22.437 344 2HD PRO 44 2HD PRO 44 22.955 1.007 -22.287 345 H GLY 45 H GLY 45 26.730 0.378 -24.233 346 1HA GLY 45 1HA GLY 45 28.254 -0.205 -26.026 347 2HA GLY 45 2HA GLY 45 28.296 1.489 -26.467 348 H MET 46 H MET 46 29.636 2.864 -24.998 349 HA MET 46 HA MET 46 32.330 2.318 -25.066 350 1HB MET 46 1HB MET 46 30.703 3.991 -23.123 351 2HB MET 46 2HB MET 46 32.441 3.905 -22.894 352 1HG MET 46 1HG MET 46 32.655 4.536 -25.356 353 2HG MET 46 2HG MET 46 30.952 4.911 -25.334 354 1HE MET 46 1HE MET 46 30.060 7.094 -24.966 355 2HE MET 46 2HE MET 46 30.695 8.304 -23.864 356 3HE MET 46 3HE MET 46 30.081 6.784 -23.211 357 H LEU 47 H LEU 47 30.891 2.046 -21.913 358 HA LEU 47 HA LEU 47 32.878 -0.132 -21.227 359 1HB LEU 47 1HB LEU 47 31.311 0.819 -18.904 360 2HB LEU 47 2HB LEU 47 33.044 0.763 -19.109 361 HG LEU 47 HG LEU 47 31.328 3.035 -20.190 362 1HD1 LEU 47 1HD1 LEU 47 32.245 4.296 -18.274 363 2HD1 LEU 47 2HD1 LEU 47 33.059 2.857 -17.687 364 3HD1 LEU 47 3HD1 LEU 47 31.296 2.928 -17.710 365 1HD2 LEU 47 1HD2 LEU 47 33.563 2.648 -21.328 366 2HD2 LEU 47 2HD2 LEU 47 34.353 2.734 -19.768 367 3HD2 LEU 47 3HD2 LEU 47 33.544 4.145 -20.424 368 H ASP 48 H ASP 48 31.884 -1.983 -19.868 369 HA ASP 48 HA ASP 48 29.053 -2.349 -20.730 370 1HB ASP 48 1HB ASP 48 29.500 -4.676 -21.185 371 2HB ASP 48 2HB ASP 48 30.851 -3.814 -21.894 372 H PHE 49 H PHE 49 31.342 -3.717 -18.360 373 HA PHE 49 HA PHE 49 30.052 -4.916 -16.448 374 1HB PHE 49 1HB PHE 49 31.692 -4.175 -14.923 375 2HB PHE 49 2HB PHE 49 32.423 -3.785 -16.456 376 HD1 PHE 49 HD1 PHE 49 30.886 -2.561 -13.462 377 HD2 PHE 49 HD2 PHE 49 32.646 -1.370 -17.139 378 HE1 PHE 49 HE1 PHE 49 31.001 -0.293 -12.621 379 HE2 PHE 49 HE2 PHE 49 32.790 0.953 -16.309 380 HZ PHE 49 HZ PHE 49 31.969 1.502 -14.039 381 H LYS 50 H LYS 50 29.834 -1.517 -15.769 382 HA LYS 50 HA LYS 50 27.155 -2.173 -14.557 383 1HB LYS 50 1HB LYS 50 27.339 -0.334 -13.111 384 2HB LYS 50 2HB LYS 50 28.976 -0.816 -13.270 385 1HG LYS 50 1HG LYS 50 29.373 0.969 -14.905 386 2HG LYS 50 2HG LYS 50 27.693 1.497 -14.811 387 1HD LYS 50 1HD LYS 50 28.103 1.614 -12.194 388 2HD LYS 50 2HD LYS 50 29.803 1.627 -12.594 389 1HE LYS 50 1HE LYS 50 27.693 3.677 -13.338 390 2HE LYS 50 2HE LYS 50 29.122 3.910 -12.350 391 1HZ LYS 50 1HZ LYS 50 30.283 4.346 -14.208 392 2HZ LYS 50 2HZ LYS 50 28.907 4.127 -15.153 393 3HZ LYS 50 3HZ LYS 50 29.926 2.796 -14.805 394 H GLY 51 H GLY 51 28.703 -0.064 -16.700 395 1HA GLY 51 1HA GLY 51 26.911 1.733 -17.710 396 2HA GLY 51 2HA GLY 51 28.005 0.855 -18.783 397 H LYS 52 H LYS 52 27.236 -1.366 -19.388 398 HA LYS 52 HA LYS 52 24.608 -1.109 -20.595 399 1HB LYS 52 1HB LYS 52 25.893 -2.273 -22.012 400 2HB LYS 52 2HB LYS 52 27.004 -2.693 -20.686 401 1HG LYS 52 1HG LYS 52 24.466 -3.953 -20.968 402 2HG LYS 52 2HG LYS 52 25.742 -4.492 -22.050 403 1HD LYS 52 1HD LYS 52 27.103 -4.365 -19.645 404 2HD LYS 52 2HD LYS 52 25.534 -4.790 -19.038 405 1HE LYS 52 1HE LYS 52 26.855 -6.498 -21.128 406 2HE LYS 52 2HE LYS 52 26.682 -6.872 -19.417 407 1HZ LYS 52 1HZ LYS 52 24.646 -7.142 -21.465 408 2HZ LYS 52 2HZ LYS 52 24.153 -6.025 -20.409 409 3HZ LYS 52 3HZ LYS 52 24.542 -7.565 -19.836 410 H ALA 53 H ALA 53 25.893 -2.639 -17.990 411 HA ALA 53 HA ALA 53 23.941 -4.667 -17.524 412 1HB ALA 53 1HB ALA 53 24.655 -4.553 -15.058 413 2HB ALA 53 2HB ALA 53 25.418 -3.005 -15.335 414 3HB ALA 53 3HB ALA 53 26.003 -4.458 -16.136 415 H LYS 54 H LYS 54 24.140 -1.499 -16.243 416 HA LYS 54 HA LYS 54 21.682 -1.104 -15.008 417 1HB LYS 54 1HB LYS 54 23.607 0.675 -16.543 418 2HB LYS 54 2HB LYS 54 22.211 1.359 -15.750 419 1HG LYS 54 1HG LYS 54 23.006 0.597 -13.555 420 2HG LYS 54 2HG LYS 54 24.074 -0.581 -14.293 421 1HD LYS 54 1HD LYS 54 25.608 0.833 -13.714 422 2HD LYS 54 2HD LYS 54 25.312 1.505 -15.307 423 1HE LYS 54 1HE LYS 54 24.429 2.655 -12.644 424 2HE LYS 54 2HE LYS 54 25.523 3.377 -13.794 425 1HZ LYS 54 1HZ LYS 54 22.969 2.903 -15.061 426 2HZ LYS 54 2HZ LYS 54 23.647 4.428 -14.653 427 3HZ LYS 54 3HZ LYS 54 22.793 3.743 -13.643 428 H TRP 55 H TRP 55 22.386 -0.915 -18.614 429 HA TRP 55 HA TRP 55 19.716 -0.011 -19.142 430 1HB TRP 55 1HB TRP 55 22.000 0.486 -20.401 431 2HB TRP 55 2HB TRP 55 21.861 -1.102 -21.104 432 HD1 TRP 55 HD1 TRP 55 20.131 2.280 -20.945 433 HE1 TRP 55 HE1 TRP 55 18.433 2.354 -22.757 434 HE3 TRP 55 HE3 TRP 55 20.500 -2.429 -22.631 435 HZ2 TRP 55 HZ2 TRP 55 17.304 0.624 -24.832 436 HZ3 TRP 55 HZ3 TRP 55 19.128 -3.241 -24.535 437 HH2 TRP 55 HH2 TRP 55 17.517 -1.716 -25.634 438 H ASP 56 H ASP 56 21.619 -2.838 -20.518 439 HA ASP 56 HA ASP 56 19.930 -4.540 -21.249 440 1HB ASP 56 1HB ASP 56 22.406 -4.502 -19.571 441 2HB ASP 56 2HB ASP 56 22.027 -6.043 -19.980 442 H ALA 57 H ALA 57 20.756 -4.600 -17.827 443 HA ALA 57 HA ALA 57 18.995 -6.477 -16.877 444 1HB ALA 57 1HB ALA 57 19.348 -5.361 -14.686 445 2HB ALA 57 2HB ALA 57 19.935 -3.920 -15.519 446 3HB ALA 57 3HB ALA 57 20.837 -5.433 -15.631 447 H TRP 58 H TRP 58 18.184 -3.264 -17.727 448 HA TRP 58 HA TRP 58 15.423 -3.344 -16.614 449 1HB TRP 58 1HB TRP 58 16.639 -1.288 -16.118 450 2HB TRP 58 2HB TRP 58 17.095 -1.083 -17.804 451 HD1 TRP 58 HD1 TRP 58 13.503 -2.245 -17.067 452 HE1 TRP 58 HE1 TRP 58 12.013 -0.268 -17.682 453 HE3 TRP 58 HE3 TRP 58 16.897 1.348 -17.747 454 HZ2 TRP 58 HZ2 TRP 58 12.120 2.439 -18.367 455 HZ3 TRP 58 HZ3 TRP 58 16.207 3.677 -18.425 456 HH2 TRP 58 HH2 TRP 58 13.838 4.216 -18.722 457 H ASN 59 H ASN 59 17.194 -3.250 -19.570 458 HA ASN 59 HA ASN 59 14.934 -2.811 -21.404 459 1HB ASN 59 1HB ASN 59 17.368 -2.675 -22.227 460 2HB ASN 59 2HB ASN 59 17.498 -4.415 -22.024 461 1HD2 ASN 59 1HD2 ASN 59 16.602 -5.698 -23.769 462 2HD2 ASN 59 2HD2 ASN 59 15.662 -4.999 -25.011 463 H GLU 60 H GLU 60 16.594 -5.622 -19.959 464 HA GLU 60 HA GLU 60 15.174 -7.702 -21.081 465 1HB GLU 60 1HB GLU 60 16.578 -7.302 -18.383 466 2HB GLU 60 2HB GLU 60 15.915 -8.854 -18.841 467 1HG GLU 60 1HG GLU 60 17.377 -8.844 -20.902 468 2HG GLU 60 2HG GLU 60 18.110 -7.344 -20.392 469 H LEU 61 H LEU 61 14.107 -5.408 -18.849 470 HA LEU 61 HA LEU 61 11.680 -7.014 -18.161 471 1HB LEU 61 1HB LEU 61 12.696 -4.489 -16.822 472 2HB LEU 61 2HB LEU 61 11.418 -5.540 -16.214 473 HG LEU 61 HG LEU 61 14.418 -6.106 -16.393 474 1HD1 LEU 61 1HD1 LEU 61 12.440 -6.003 -14.075 475 2HD1 LEU 61 2HD1 LEU 61 13.540 -4.703 -14.508 476 3HD1 LEU 61 3HD1 LEU 61 14.174 -6.241 -13.956 477 1HD2 LEU 61 1HD2 LEU 61 12.175 -7.995 -15.535 478 2HD2 LEU 61 2HD2 LEU 61 13.909 -8.287 -15.408 479 3HD2 LEU 61 3HD2 LEU 61 13.162 -8.151 -16.984 480 H LYS 62 H LYS 62 12.566 -4.582 -20.265 481 HA LYS 62 HA LYS 62 10.681 -2.621 -20.084 482 1HB LYS 62 1HB LYS 62 12.591 -2.762 -21.682 483 2HB LYS 62 2HB LYS 62 11.909 -4.163 -22.442 484 1HG LYS 62 1HG LYS 62 9.934 -1.995 -22.489 485 2HG LYS 62 2HG LYS 62 11.420 -1.439 -23.211 486 1HD LYS 62 1HD LYS 62 9.934 -2.366 -24.931 487 2HD LYS 62 2HD LYS 62 11.450 -3.211 -24.829 488 1HE LYS 62 1HE LYS 62 9.674 -4.829 -25.165 489 2HE LYS 62 2HE LYS 62 10.321 -5.061 -23.554 490 1HZ LYS 62 1HZ LYS 62 7.644 -4.461 -24.281 491 2HZ LYS 62 2HZ LYS 62 8.232 -3.176 -23.366 492 3HZ LYS 62 3HZ LYS 62 8.290 -4.734 -22.736 493 H GLY 63 H GLY 63 8.362 -2.639 -20.213 494 1HA GLY 63 1HA GLY 63 6.323 -3.551 -21.293 495 2HA GLY 63 2HA GLY 63 7.083 -5.147 -21.344 496 H THR 64 H THR 64 8.149 -5.041 -18.676 497 HA THR 64 HA THR 64 5.868 -6.142 -17.282 498 HB THR 64 HB THR 64 8.513 -5.150 -16.053 499 HG1 THR 64 HG1 THR 64 8.859 -6.787 -17.414 500 1HG2 THR 64 1HG2 THR 64 6.549 -5.506 -14.394 501 2HG2 THR 64 2HG2 THR 64 7.871 -6.650 -14.209 502 3HG2 THR 64 3HG2 THR 64 6.425 -7.134 -15.064 503 H SER 65 H SER 65 4.250 -4.990 -16.346 504 HA SER 65 HA SER 65 4.249 -2.143 -16.351 505 1HB SER 65 1HB SER 65 2.191 -3.527 -16.313 506 2HB SER 65 2HB SER 65 2.548 -3.955 -14.621 507 HG SER 65 HG SER 65 1.464 -2.094 -14.399 508 H LYS 66 H LYS 66 4.137 -0.667 -14.745 509 HA LYS 66 HA LYS 66 6.256 -0.511 -13.021 510 1HB LYS 66 1HB LYS 66 3.483 0.779 -12.712 511 2HB LYS 66 2HB LYS 66 4.968 1.344 -11.940 512 1HG LYS 66 1HG LYS 66 6.055 1.488 -14.243 513 2HG LYS 66 2HG LYS 66 4.540 1.078 -14.988 514 1HD LYS 66 1HD LYS 66 4.867 3.408 -15.141 515 2HD LYS 66 2HD LYS 66 3.479 3.113 -14.089 516 1HE LYS 66 1HE LYS 66 4.750 3.631 -12.124 517 2HE LYS 66 2HE LYS 66 6.273 3.466 -13.001 518 1HZ LYS 66 1HZ LYS 66 4.704 5.823 -12.766 519 2HZ LYS 66 2HZ LYS 66 4.765 5.357 -14.406 520 3HZ LYS 66 3HZ LYS 66 6.189 5.554 -13.544 521 H GLU 67 H GLU 67 3.089 -1.294 -11.944 522 HA GLU 67 HA GLU 67 3.326 -1.896 -9.298 523 1HB GLU 67 1HB GLU 67 1.653 -2.881 -11.595 524 2HB GLU 67 2HB GLU 67 1.421 -3.604 -10.047 525 1HG GLU 67 1HG GLU 67 1.327 -0.555 -10.397 526 2HG GLU 67 2HG GLU 67 -0.109 -1.556 -10.445 527 H ASP 68 H ASP 68 3.871 -4.417 -11.871 528 HA ASP 68 HA ASP 68 4.508 -6.372 -9.967 529 1HB ASP 68 1HB ASP 68 4.812 -5.928 -12.931 530 2HB ASP 68 2HB ASP 68 5.459 -7.380 -12.226 531 H ALA 69 H ALA 69 6.286 -4.156 -11.787 532 HA ALA 69 HA ALA 69 8.912 -5.151 -10.951 533 1HB ALA 69 1HB ALA 69 8.081 -2.354 -11.858 534 2HB ALA 69 2HB ALA 69 8.515 -3.671 -12.918 535 3HB ALA 69 3HB ALA 69 9.729 -2.992 -11.828 536 H MET 70 H MET 70 6.488 -2.855 -9.639 537 HA MET 70 HA MET 70 8.148 -1.940 -7.463 538 1HB MET 70 1HB MET 70 5.049 -2.280 -7.550 539 2HB MET 70 2HB MET 70 5.885 -1.461 -6.262 540 1HG MET 70 1HG MET 70 6.753 0.206 -7.876 541 2HG MET 70 2HG MET 70 5.934 -0.616 -9.169 542 1HE MET 70 1HE MET 70 4.984 2.915 -8.508 543 2HE MET 70 2HE MET 70 4.034 2.071 -9.759 544 3HE MET 70 3HE MET 70 5.748 1.735 -9.563 545 H LYS 71 H LYS 71 5.728 -4.538 -7.502 546 HA LYS 71 HA LYS 71 6.141 -5.697 -5.037 547 1HB LYS 71 1HB LYS 71 5.716 -6.961 -7.801 548 2HB LYS 71 2HB LYS 71 5.873 -8.017 -6.411 549 1HG LYS 71 1HG LYS 71 3.847 -7.402 -5.500 550 2HG LYS 71 2HG LYS 71 3.927 -5.770 -6.098 551 1HD LYS 71 1HD LYS 71 2.067 -6.876 -7.138 552 2HD LYS 71 2HD LYS 71 3.220 -6.494 -8.358 553 1HE LYS 71 1HE LYS 71 3.158 -9.295 -7.196 554 2HE LYS 71 2HE LYS 71 1.910 -8.828 -8.339 555 1HZ LYS 71 1HZ LYS 71 4.477 -8.047 -9.284 556 2HZ LYS 71 2HZ LYS 71 3.364 -8.992 -10.080 557 3HZ LYS 71 3HZ LYS 71 4.456 -9.723 -9.003 558 H ALA 72 H ALA 72 7.887 -6.958 -7.840 559 HA ALA 72 HA ALA 72 9.950 -8.242 -6.434 560 1HB ALA 72 1HB ALA 72 9.251 -8.635 -8.738 561 2HB ALA 72 2HB ALA 72 10.930 -8.190 -8.835 562 3HB ALA 72 3HB ALA 72 9.684 -7.018 -9.226 563 H TYR 73 H TYR 73 9.893 -4.822 -7.465 564 HA TYR 73 HA TYR 73 12.619 -4.244 -6.873 565 1HB TYR 73 1HB TYR 73 11.130 -2.559 -8.036 566 2HB TYR 73 2HB TYR 73 10.120 -2.485 -6.615 567 HD1 TYR 73 HD1 TYR 73 10.597 -0.846 -4.958 568 HD2 TYR 73 HD2 TYR 73 13.642 -2.041 -7.678 569 HE1 TYR 73 HE1 TYR 73 12.093 0.913 -4.090 570 HE2 TYR 73 HE2 TYR 73 15.092 -0.324 -6.769 571 HH TYR 73 HH TYR 73 15.116 1.589 -5.615 572 H ILE 74 H ILE 74 9.765 -3.757 -4.978 573 HA ILE 74 HA ILE 74 10.943 -3.061 -2.504 574 HB ILE 74 HB ILE 74 8.270 -4.424 -3.096 575 1HG1 ILE 74 1HG1 ILE 74 8.832 -1.476 -2.604 576 2HG1 ILE 74 2HG1 ILE 74 8.821 -2.134 -4.230 577 1HG2 ILE 74 1HG2 ILE 74 7.649 -3.429 -0.842 578 2HG2 ILE 74 2HG2 ILE 74 9.263 -2.782 -0.659 579 3HG2 ILE 74 3HG2 ILE 74 8.994 -4.525 -0.655 580 1HD1 ILE 74 1HD1 ILE 74 6.586 -1.221 -3.693 581 2HD1 ILE 74 2HD1 ILE 74 6.468 -2.292 -2.315 582 3HD1 ILE 74 3HD1 ILE 74 6.509 -2.948 -3.933 583 H ASP 75 H ASP 75 9.972 -6.223 -3.752 584 HA ASP 75 HA ASP 75 10.581 -7.746 -1.418 585 1HB ASP 75 1HB ASP 75 10.251 -8.211 -4.374 586 2HB ASP 75 2HB ASP 75 10.474 -9.558 -3.353 587 H LYS 76 H LYS 76 12.380 -6.509 -4.032 588 HA LYS 76 HA LYS 76 14.659 -8.305 -3.565 589 1HB LYS 76 1HB LYS 76 14.165 -7.216 -5.776 590 2HB LYS 76 2HB LYS 76 14.514 -5.644 -5.116 591 1HG LYS 76 1HG LYS 76 16.553 -6.365 -6.148 592 2HG LYS 76 2HG LYS 76 16.817 -6.550 -4.425 593 1HD LYS 76 1HD LYS 76 16.180 -9.049 -4.672 594 2HD LYS 76 2HD LYS 76 15.984 -8.798 -6.372 595 1HE LYS 76 1HE LYS 76 18.146 -9.746 -6.035 596 2HE LYS 76 2HE LYS 76 18.435 -8.051 -6.390 597 1HZ LYS 76 1HZ LYS 76 17.951 -8.307 -3.622 598 2HZ LYS 76 2HZ LYS 76 19.390 -7.804 -4.372 599 3HZ LYS 76 3HZ LYS 76 19.153 -9.420 -4.045 600 H VAL 77 H VAL 77 13.703 -4.964 -3.005 601 HA VAL 77 HA VAL 77 15.903 -4.131 -1.390 602 HB VAL 77 HB VAL 77 12.946 -3.438 -0.905 603 1HG1 VAL 77 1HG1 VAL 77 13.950 -1.484 0.320 604 2HG1 VAL 77 2HG1 VAL 77 15.558 -2.077 -0.045 605 3HG1 VAL 77 3HG1 VAL 77 14.523 -2.967 1.055 606 1HG2 VAL 77 1HG2 VAL 77 15.166 -2.052 -2.473 607 2HG2 VAL 77 2HG2 VAL 77 13.623 -1.341 -2.197 608 3HG2 VAL 77 3HG2 VAL 77 13.746 -2.759 -3.205 609 H GLU 78 H GLU 78 12.860 -5.650 -0.185 610 HA GLU 78 HA GLU 78 13.671 -6.083 2.423 611 1HB GLU 78 1HB GLU 78 11.581 -6.959 0.647 612 2HB GLU 78 2HB GLU 78 12.125 -8.414 1.443 613 1HG GLU 78 1HG GLU 78 11.885 -7.214 3.654 614 2HG GLU 78 2HG GLU 78 11.398 -5.750 2.834 615 H GLU 79 H GLU 79 14.213 -8.421 -0.303 616 HA GLU 79 HA GLU 79 15.839 -10.240 1.055 617 1HB GLU 79 1HB GLU 79 15.857 -9.195 -1.790 618 2HB GLU 79 2HB GLU 79 17.098 -10.320 -1.320 619 1HG GLU 79 1HG GLU 79 14.127 -10.909 -0.943 620 2HG GLU 79 2HG GLU 79 15.027 -11.424 -2.357 621 H LEU 80 H LEU 80 16.863 -7.274 -0.479 622 HA LEU 80 HA LEU 80 19.641 -7.515 0.075 623 1HB LEU 80 1HB LEU 80 17.829 -5.090 -0.418 624 2HB LEU 80 2HB LEU 80 19.566 -4.943 -0.278 625 HG LEU 80 HG LEU 80 18.198 -6.815 -2.245 626 1HD1 LEU 80 1HD1 LEU 80 19.300 -4.019 -2.661 627 2HD1 LEU 80 2HD1 LEU 80 17.599 -4.463 -2.730 628 3HD1 LEU 80 3HD1 LEU 80 18.723 -5.072 -3.939 629 1HD2 LEU 80 1HD2 LEU 80 21.006 -5.652 -1.964 630 2HD2 LEU 80 2HD2 LEU 80 20.474 -6.557 -3.333 631 3HD2 LEU 80 3HD2 LEU 80 20.580 -7.350 -1.777 632 H LYS 81 H LYS 81 17.040 -5.892 1.827 633 HA LYS 81 HA LYS 81 18.535 -4.809 3.953 634 1HB LYS 81 1HB LYS 81 16.015 -4.506 3.335 635 2HB LYS 81 2HB LYS 81 15.687 -6.059 4.049 636 1HG LYS 81 1HG LYS 81 16.382 -5.257 6.266 637 2HG LYS 81 2HG LYS 81 16.966 -3.752 5.618 638 1HD LYS 81 1HD LYS 81 14.453 -3.420 4.763 639 2HD LYS 81 2HD LYS 81 14.062 -4.734 5.830 640 1HE LYS 81 1HE LYS 81 13.666 -3.061 7.343 641 2HE LYS 81 2HE LYS 81 15.383 -3.202 7.630 642 1HZ LYS 81 1HZ LYS 81 14.902 -1.517 5.379 643 2HZ LYS 81 2HZ LYS 81 15.685 -1.125 6.840 644 3HZ LYS 81 3HZ LYS 81 14.033 -0.887 6.578 645 H LYS 82 H LYS 82 16.899 -7.920 3.731 646 HA LYS 82 HA LYS 82 17.798 -9.011 6.099 647 1HB LYS 82 1HB LYS 82 17.170 -10.290 3.414 648 2HB LYS 82 2HB LYS 82 17.355 -11.205 4.903 649 1HG LYS 82 1HG LYS 82 15.496 -9.780 5.922 650 2HG LYS 82 2HG LYS 82 15.345 -8.926 4.421 651 1HD LYS 82 1HD LYS 82 13.610 -10.662 4.476 652 2HD LYS 82 2HD LYS 82 14.728 -10.915 3.170 653 1HE LYS 82 1HE LYS 82 14.144 -13.017 4.360 654 2HE LYS 82 2HE LYS 82 15.872 -12.694 4.360 655 1HZ LYS 82 1HZ LYS 82 15.791 -12.657 6.653 656 2HZ LYS 82 2HZ LYS 82 14.115 -12.914 6.588 657 3HZ LYS 82 3HZ LYS 82 14.716 -11.344 6.537 658 H LYS 83 H LYS 83 19.337 -9.002 3.095 659 HA LYS 83 HA LYS 83 21.636 -10.637 3.860 660 1HB LYS 83 1HB LYS 83 21.058 -8.949 1.399 661 2HB LYS 83 2HB LYS 83 22.437 -10.025 1.536 662 1HG LYS 83 1HG LYS 83 21.063 -11.931 1.628 663 2HG LYS 83 2HG LYS 83 19.631 -11.021 2.059 664 1HD LYS 83 1HD LYS 83 19.574 -9.994 -0.209 665 2HD LYS 83 2HD LYS 83 20.979 -10.906 -0.727 666 1HE LYS 83 1HE LYS 83 19.672 -13.027 0.118 667 2HE LYS 83 2HE LYS 83 18.288 -11.976 0.323 668 1HZ LYS 83 1HZ LYS 83 19.187 -13.208 -2.032 669 2HZ LYS 83 2HZ LYS 83 19.300 -11.541 -2.258 670 3HZ LYS 83 3HZ LYS 83 17.805 -12.300 -1.809 671 H TYR 84 H TYR 84 21.394 -7.213 3.161 672 HA TYR 84 HA TYR 84 24.169 -6.727 3.895 673 1HB TYR 84 1HB TYR 84 21.938 -5.107 2.621 674 2HB TYR 84 2HB TYR 84 23.555 -4.447 2.890 675 HD1 TYR 84 HD1 TYR 84 25.538 -5.611 1.794 676 HD2 TYR 84 HD2 TYR 84 21.564 -6.758 0.863 677 HE1 TYR 84 HE1 TYR 84 26.333 -6.840 -0.184 678 HE2 TYR 84 HE2 TYR 84 22.374 -7.981 -1.107 679 HH TYR 84 HH TYR 84 24.122 -8.750 -2.144 680 H GLY 85 H GLY 85 21.057 -6.230 5.647 681 1HA GLY 85 1HA GLY 85 21.200 -5.780 7.983 682 2HA GLY 85 2HA GLY 85 22.752 -5.061 7.776 683 H ILE 86 H ILE 86 19.681 -3.799 6.160 684 HA ILE 86 HA ILE 86 20.010 -1.462 7.966 685 HB ILE 86 HB ILE 86 20.729 -1.240 5.518 686 1HG1 ILE 86 1HG1 ILE 86 18.227 0.320 6.157 687 2HG1 ILE 86 2HG1 ILE 86 19.763 0.735 6.865 688 1HG2 ILE 86 1HG2 ILE 86 18.917 -1.317 3.765 689 2HG2 ILE 86 2HG2 ILE 86 17.756 -1.766 5.002 690 3HG2 ILE 86 3HG2 ILE 86 19.065 -2.849 4.578 691 1HD1 ILE 86 1HD1 ILE 86 19.358 2.153 4.900 692 2HD1 ILE 86 2HD1 ILE 86 19.030 0.766 3.890 693 3HD1 ILE 86 3HD1 ILE 86 20.657 1.039 4.504 694 AH2 COA 1 AH2 COA 1 17.294 1.272 -8.078 695 AH61 COA 1 AH61 COA 1 15.083 4.929 -5.047 696 AH62 COA 1 AH62 COA 1 14.700 3.219 -5.091 697 AH8 COA 1 AH8 COA 1 18.568 7.545 -7.419 698 AH1* COA 1 AH1* COA 1 19.626 4.560 -9.786 699 AH2* COA 1 AH2* COA 1 19.608 7.590 -9.427 700 AHO2 COA 1 AHO2 COA 1 19.558 7.014 -11.875 701 AH3* COA 1 AH3* COA 1 21.684 7.604 -10.606 702 AH4* COA 1 AH4* COA 1 22.800 5.513 -9.224 703 AH51 COA 1 AH51 COA 1 22.736 6.616 -7.100 704 AH52 COA 1 AH52 COA 1 22.873 7.912 -8.245 705 1H12 COA 1 1H12 COA 1 23.471 8.957 -2.458 706 2H12 COA 1 2H12 COA 1 22.210 7.871 -2.006 707 1H13 COA 1 1H13 COA 1 24.576 6.529 -5.274 708 2H13 COA 1 2H13 COA 1 23.267 7.670 -5.505 709 3H13 COA 1 3H13 COA 1 24.777 8.226 -4.824 710 1H14 COA 1 1H14 COA 1 22.073 5.595 -2.777 711 2H14 COA 1 2H14 COA 1 21.693 6.325 -4.333 712 3H14 COA 1 3H14 COA 1 22.931 5.086 -4.240 713 H10 COA 1 H10 COA 1 25.201 5.797 -3.248 714 HO1 COA 1 HO1 COA 1 25.344 8.407 -3.046 715 HN8 COA 1 HN8 COA 1 23.981 4.307 -2.241 716 1H7 COA 1 1H7 COA 1 23.874 4.451 0.760 717 2H7 COA 1 2H7 COA 1 22.908 3.376 -0.254 718 1H6 COA 1 1H6 COA 1 25.078 2.415 0.966 719 2H6 COA 1 2H6 COA 1 24.484 1.801 -0.538 720 HN4 COA 1 HN4 COA 1 25.492 3.564 -2.313 721 1H3 COA 1 1H3 COA 1 28.054 4.508 -2.328 722 2H3 COA 1 2H3 COA 1 28.294 2.763 -2.472 723 1H2 COA 1 1H2 COA 1 28.125 3.856 -4.697 724 2H2 COA 1 2H2 COA 1 26.561 4.453 -4.309 725 1H2 PLY 2 1H2 PLY 2 24.289 2.124 -2.477 726 2H2 PLY 2 2H2 PLY 2 23.903 2.482 -4.164 727 1H3 PLY 2 1H3 PLY 2 23.481 -0.375 -3.613 728 2H3 PLY 2 2H3 PLY 2 22.846 0.537 -2.269 729 1H4 PLY 2 1H4 PLY 2 20.855 0.784 -3.554 730 2H4 PLY 2 2H4 PLY 2 21.737 1.950 -4.493 731 1H5 PLY 2 1H5 PLY 2 22.088 -0.922 -5.288 732 2H5 PLY 2 2H5 PLY 2 20.566 -0.154 -5.634 733 1H6 PLY 2 1H6 PLY 2 22.583 -0.075 -7.297 734 2H6 PLY 2 2H6 PLY 2 23.101 1.289 -6.321 735 1H7 PLY 2 1H7 PLY 2 20.530 1.011 -7.897 736 2H7 PLY 2 2H7 PLY 2 20.729 2.233 -6.667 737 1H8 PLY 2 1H8 PLY 2 22.488 3.358 -7.826 738 2H8 PLY 2 2H8 PLY 2 21.354 2.955 -9.097 739 1H9 PLY 2 1H9 PLY 2 22.647 0.935 -9.692 740 2H9 PLY 2 2H9 PLY 2 23.783 1.234 -8.394 741 1HA PLY 2 1HA PLY 2 23.429 2.879 -10.873 742 2HA PLY 2 2HA PLY 2 24.228 3.505 -9.459 743 1HB PLY 2 1HB PLY 2 25.831 1.631 -9.425 744 2HB PLY 2 2HB PLY 2 25.944 2.547 -10.907 745 1HC PLY 2 1HC PLY 2 24.268 0.682 -11.838 746 2HC PLY 2 2HC PLY 2 25.992 0.345 -11.682 747 1HD PLY 2 1HD PLY 2 25.611 -0.911 -9.639 748 2HD PLY 2 2HD PLY 2 23.903 -0.528 -9.627 749 1HE PLY 2 1HE PLY 2 23.609 -1.448 -11.800 750 2HE PLY 2 2HE PLY 2 24.087 -2.647 -10.588 751 1HF PLY 2 1HF PLY 2 25.372 -3.189 -12.598 752 2HF PLY 2 2HF PLY 2 25.681 -1.503 -12.972 753 1HG PLY 2 1HG PLY 2 27.230 -1.470 -11.004 754 2HG PLY 2 2HG PLY 2 26.828 -3.156 -10.704 755 3HG PLY 2 3HG PLY 2 27.626 -2.696 -12.198 Start of MODEL 9 1 1H SER 1 1H SER 1 2.783 6.660 -8.256 2 2H SER 1 2H SER 1 4.090 7.773 -8.418 3 H SER 1 H SER 1 3.979 6.454 -9.474 4 HA SER 1 HA SER 1 5.252 5.321 -8.055 5 1HB SER 1 1HB SER 1 4.950 7.627 -6.051 6 2HB SER 1 2HB SER 1 6.334 6.548 -6.282 7 HG SER 1 HG SER 1 6.896 8.005 -7.723 8 H GLN 2 H GLN 2 5.291 4.502 -5.596 9 HA GLN 2 HA GLN 2 2.566 4.121 -4.507 10 1HB GLN 2 1HB GLN 2 2.871 2.210 -6.007 11 2HB GLN 2 2HB GLN 2 4.486 1.915 -5.410 12 1HG GLN 2 1HG GLN 2 3.533 1.346 -3.122 13 2HG GLN 2 2HG GLN 2 1.918 1.622 -3.756 14 1HE2 GLN 2 1HE2 GLN 2 4.310 -0.804 -3.364 15 2HE2 GLN 2 2HE2 GLN 2 3.531 -1.922 -4.410 16 H ALA 3 H ALA 3 3.038 5.144 -2.688 17 HA ALA 3 HA ALA 3 5.145 5.781 -1.195 18 1HB ALA 3 1HB ALA 3 2.847 6.117 -0.478 19 2HB ALA 3 2HB ALA 3 3.747 5.387 0.844 20 3HB ALA 3 3HB ALA 3 2.700 4.396 -0.152 21 H GLU 4 H GLU 4 4.117 2.430 -1.216 22 HA GLU 4 HA GLU 4 6.108 1.645 0.711 23 1HB GLU 4 1HB GLU 4 4.003 0.297 -0.936 24 2HB GLU 4 2HB GLU 4 5.353 -0.695 -0.490 25 1HG GLU 4 1HG GLU 4 3.485 0.836 1.431 26 2HG GLU 4 2HG GLU 4 3.616 -0.909 1.308 27 H PHE 5 H PHE 5 6.019 1.586 -2.619 28 HA PHE 5 HA PHE 5 8.528 0.173 -3.020 29 1HB PHE 5 1HB PHE 5 6.832 0.172 -4.754 30 2HB PHE 5 2HB PHE 5 6.631 1.893 -4.474 31 HD1 PHE 5 HD1 PHE 5 8.809 -0.690 -5.976 32 HD2 PHE 5 HD2 PHE 5 8.167 3.466 -5.603 33 HE1 PHE 5 HE1 PHE 5 10.466 -0.278 -7.767 34 HE2 PHE 5 HE2 PHE 5 9.817 3.897 -7.348 35 HZ PHE 5 HZ PHE 5 10.975 2.019 -8.453 36 H ASP 6 H ASP 6 7.320 3.475 -2.862 37 HA ASP 6 HA ASP 6 9.698 4.871 -3.441 38 1HB ASP 6 1HB ASP 6 7.207 5.430 -1.771 39 2HB ASP 6 2HB ASP 6 8.372 6.646 -2.166 40 H LYS 7 H LYS 7 8.231 3.921 -0.516 41 HA LYS 7 HA LYS 7 10.252 4.810 1.314 42 1HB LYS 7 1HB LYS 7 7.927 3.959 1.978 43 2HB LYS 7 2HB LYS 7 8.492 2.331 1.657 44 1HG LYS 7 1HG LYS 7 10.452 2.821 3.303 45 2HG LYS 7 2HG LYS 7 9.688 4.340 3.652 46 1HD LYS 7 1HD LYS 7 8.997 2.953 5.448 47 2HD LYS 7 2HD LYS 7 7.603 2.934 4.387 48 1HE LYS 7 1HE LYS 7 9.764 0.790 4.231 49 2HE LYS 7 2HE LYS 7 8.425 0.676 5.358 50 1HZ LYS 7 1HZ LYS 7 7.230 1.335 2.934 51 2HZ LYS 7 2HZ LYS 7 7.131 -0.116 3.642 52 3HZ LYS 7 3HZ LYS 7 8.362 0.135 2.534 53 H ALA 8 H ALA 8 9.815 1.946 -0.590 54 HA ALA 8 HA ALA 8 11.970 0.392 0.537 55 1HB ALA 8 1HB ALA 8 11.619 -1.034 -1.519 56 2HB ALA 8 2HB ALA 8 10.795 0.274 -2.331 57 3HB ALA 8 3HB ALA 8 10.081 -0.482 -0.925 58 H ALA 9 H ALA 9 11.827 2.502 -2.476 59 HA ALA 9 HA ALA 9 14.522 2.420 -3.103 60 1HB ALA 9 1HB ALA 9 14.038 4.713 -4.134 61 2HB ALA 9 2HB ALA 9 12.580 4.789 -3.170 62 3HB ALA 9 3HB ALA 9 12.736 3.567 -4.411 63 H GLU 10 H GLU 10 12.975 4.457 -0.684 64 HA GLU 10 HA GLU 10 15.359 5.853 0.085 65 1HB GLU 10 1HB GLU 10 12.696 5.180 1.483 66 2HB GLU 10 2HB GLU 10 13.842 6.283 2.204 67 1HG GLU 10 1HG GLU 10 12.651 6.643 -0.617 68 2HG GLU 10 2HG GLU 10 12.111 7.511 0.812 69 H GLU 11 H GLU 11 13.685 3.153 1.694 70 HA GLU 11 HA GLU 11 15.402 2.457 3.633 71 1HB GLU 11 1HB GLU 11 13.820 0.729 1.741 72 2HB GLU 11 2HB GLU 11 14.632 0.095 3.142 73 1HG GLU 11 1HG GLU 11 13.202 2.433 4.051 74 2HG GLU 11 2HG GLU 11 12.121 1.537 3.061 75 H VAL 12 H VAL 12 15.618 1.436 0.200 76 HA VAL 12 HA VAL 12 17.988 -0.081 0.483 77 HB VAL 12 HB VAL 12 15.885 0.140 -1.284 78 1HG1 VAL 12 1HG1 VAL 12 18.400 0.944 -2.816 79 2HG1 VAL 12 2HG1 VAL 12 16.978 1.965 -2.597 80 3HG1 VAL 12 3HG1 VAL 12 16.858 0.496 -3.531 81 1HG2 VAL 12 1HG2 VAL 12 17.062 -1.695 -2.493 82 2HG2 VAL 12 2HG2 VAL 12 17.143 -1.864 -0.747 83 3HG2 VAL 12 3HG2 VAL 12 18.535 -1.282 -1.640 84 H LYS 13 H LYS 13 17.513 3.268 -1.065 85 HA LYS 13 HA LYS 13 20.330 3.465 -1.532 86 1HB LYS 13 1HB LYS 13 17.958 5.249 -1.675 87 2HB LYS 13 2HB LYS 13 19.365 6.032 -0.981 88 1HG LYS 13 1HG LYS 13 20.770 5.452 -2.957 89 2HG LYS 13 2HG LYS 13 19.402 4.603 -3.661 90 1HD LYS 13 1HD LYS 13 18.563 6.575 -4.552 91 2HD LYS 13 2HD LYS 13 18.524 7.313 -2.975 92 1HE LYS 13 1HE LYS 13 19.934 8.848 -4.006 93 2HE LYS 13 2HE LYS 13 21.171 7.702 -3.555 94 1HZ LYS 13 1HZ LYS 13 20.158 6.915 -6.120 95 2HZ LYS 13 2HZ LYS 13 21.701 7.549 -5.782 96 3HZ LYS 13 3HZ LYS 13 20.534 8.542 -6.194 97 H HIS 14 H HIS 14 18.389 3.652 1.251 98 HA HIS 14 HA HIS 14 20.356 5.025 2.943 99 1HB HIS 14 1HB HIS 14 17.733 3.586 3.535 100 2HB HIS 14 2HB HIS 14 18.684 4.388 4.779 101 HD1 HIS 14 HD1 HIS 14 15.852 5.156 3.289 102 HD2 HIS 14 HD2 HIS 14 19.385 7.173 3.160 103 HE1 HIS 14 HE1 HIS 14 15.318 7.566 2.723 104 H LEU 15 H LEU 15 20.062 1.861 1.814 105 HA LEU 15 HA LEU 15 20.811 0.195 3.943 106 1HB LEU 15 1HB LEU 15 21.648 0.200 1.027 107 2HB LEU 15 2HB LEU 15 22.320 -1.004 2.092 108 HG LEU 15 HG LEU 15 19.324 -0.600 1.815 109 1HD1 LEU 15 1HD1 LEU 15 21.270 -2.594 0.534 110 2HD1 LEU 15 2HD1 LEU 15 20.431 -1.304 -0.343 111 3HD1 LEU 15 3HD1 LEU 15 19.515 -2.632 0.359 112 1HD2 LEU 15 1HD2 LEU 15 21.010 -2.932 2.841 113 2HD2 LEU 15 2HD2 LEU 15 19.245 -2.809 2.841 114 3HD2 LEU 15 3HD2 LEU 15 20.215 -1.762 3.860 115 H LYS 16 H LYS 16 22.605 -0.082 5.160 116 HA LYS 16 HA LYS 16 24.532 2.043 5.252 117 1HB LYS 16 1HB LYS 16 24.782 -0.809 6.334 118 2HB LYS 16 2HB LYS 16 25.699 0.585 6.876 119 1HG LYS 16 1HG LYS 16 23.634 1.743 7.541 120 2HG LYS 16 2HG LYS 16 22.638 0.400 7.016 121 1HD LYS 16 1HD LYS 16 24.076 -1.069 8.631 122 2HD LYS 16 2HD LYS 16 24.636 0.441 9.319 123 1HE LYS 16 1HE LYS 16 21.758 -0.541 9.123 124 2HE LYS 16 2HE LYS 16 22.696 -0.432 10.602 125 1HZ LYS 16 1HZ LYS 16 21.157 1.609 9.392 126 2HZ LYS 16 2HZ LYS 16 22.780 2.065 9.272 127 3HZ LYS 16 3HZ LYS 16 22.104 1.722 10.793 128 H THR 17 H THR 17 24.239 -0.470 3.235 129 HA THR 17 HA THR 17 26.906 0.072 2.011 130 HB THR 17 HB THR 17 25.873 -2.642 2.873 131 HG1 THR 17 HG1 THR 17 27.455 -0.674 3.784 132 1HG2 THR 17 1HG2 THR 17 28.490 -1.948 1.386 133 2HG2 THR 17 2HG2 THR 17 27.185 -2.827 0.591 134 3HG2 THR 17 3HG2 THR 17 28.023 -3.527 1.954 135 H LYS 18 H LYS 18 27.327 -0.564 0.026 136 HA LYS 18 HA LYS 18 25.181 -0.341 -1.946 137 1HB LYS 18 1HB LYS 18 27.106 1.178 -1.946 138 2HB LYS 18 2HB LYS 18 28.197 -0.171 -1.937 139 1HG LYS 18 1HG LYS 18 26.244 0.164 -4.219 140 2HG LYS 18 2HG LYS 18 27.678 1.118 -4.249 141 1HD LYS 18 1HD LYS 18 27.332 -1.882 -4.342 142 2HD LYS 18 2HD LYS 18 28.074 -0.913 -5.559 143 1HE LYS 18 1HE LYS 18 29.248 -2.020 -3.012 144 2HE LYS 18 2HE LYS 18 29.947 -1.914 -4.608 145 1HZ LYS 18 1HZ LYS 18 30.295 -0.116 -2.472 146 2HZ LYS 18 2HZ LYS 18 29.434 0.711 -3.671 147 3HZ LYS 18 3HZ LYS 18 30.955 0.024 -4.022 148 HA PRO 19 HA PRO 19 25.696 -4.882 -1.815 149 1HB PRO 19 1HB PRO 19 23.275 -4.757 -3.662 150 2HB PRO 19 2HB PRO 19 23.568 -5.684 -2.225 151 1HG PRO 19 1HG PRO 19 22.020 -3.527 -1.979 152 2HG PRO 19 2HG PRO 19 23.308 -3.729 -0.779 153 1HD PRO 19 1HD PRO 19 23.540 -2.137 -3.375 154 2HD PRO 19 2HD PRO 19 23.677 -1.545 -1.688 155 H ALA 20 H ALA 20 25.544 -6.723 -3.764 156 HA ALA 20 HA ALA 20 27.795 -5.989 -5.427 157 1HB ALA 20 1HB ALA 20 26.044 -8.450 -5.252 158 2HB ALA 20 2HB ALA 20 27.523 -8.194 -4.329 159 3HB ALA 20 3HB ALA 20 27.594 -8.381 -6.076 160 H ASP 21 H ASP 21 27.844 -6.216 -7.780 161 HA ASP 21 HA ASP 21 26.002 -4.728 -9.151 162 1HB ASP 21 1HB ASP 21 27.642 -7.179 -10.110 163 2HB ASP 21 2HB ASP 21 26.829 -6.120 -11.210 164 H GLU 22 H GLU 22 25.686 -8.284 -9.252 165 HA GLU 22 HA GLU 22 23.318 -8.345 -10.665 166 1HB GLU 22 1HB GLU 22 24.212 -10.062 -8.294 167 2HB GLU 22 2HB GLU 22 22.745 -10.436 -9.180 168 1HG GLU 22 1HG GLU 22 25.468 -10.128 -10.559 169 2HG GLU 22 2HG GLU 22 24.785 -11.681 -10.128 170 H GLU 23 H GLU 23 23.298 -7.988 -7.143 171 HA GLU 23 HA GLU 23 20.391 -7.515 -7.107 172 1HB GLU 23 1HB GLU 23 22.561 -6.917 -5.010 173 2HB GLU 23 2HB GLU 23 20.931 -6.282 -4.813 174 1HG GLU 23 1HG GLU 23 21.350 -9.208 -5.536 175 2HG GLU 23 2HG GLU 23 21.535 -8.737 -3.863 176 H MET 24 H MET 24 23.216 -5.261 -7.236 177 HA MET 24 HA MET 24 21.763 -2.840 -7.362 178 1HB MET 24 1HB MET 24 24.312 -3.801 -8.662 179 2HB MET 24 2HB MET 24 23.861 -2.144 -8.798 180 1HG MET 24 1HG MET 24 23.718 -2.238 -6.163 181 2HG MET 24 2HG MET 24 24.596 -3.720 -6.341 182 1HE MET 24 1HE MET 24 24.838 -0.067 -5.785 183 2HE MET 24 2HE MET 24 24.350 -0.201 -7.474 184 3HE MET 24 3HE MET 24 25.901 0.503 -7.080 185 H LEU 25 H LEU 25 22.547 -4.962 -9.898 186 HA LEU 25 HA LEU 25 21.496 -3.829 -12.248 187 1HB LEU 25 1HB LEU 25 22.229 -6.534 -11.232 188 2HB LEU 25 2HB LEU 25 21.346 -6.535 -12.681 189 HG LEU 25 HG LEU 25 24.106 -5.422 -12.057 190 1HD1 LEU 25 1HD1 LEU 25 23.923 -7.864 -12.455 191 2HD1 LEU 25 2HD1 LEU 25 24.755 -7.117 -13.782 192 3HD1 LEU 25 3HD1 LEU 25 23.084 -7.582 -13.960 193 1HD2 LEU 25 1HD2 LEU 25 24.297 -4.814 -14.491 194 2HD2 LEU 25 2HD2 LEU 25 22.968 -3.887 -13.805 195 3HD2 LEU 25 3HD2 LEU 25 22.640 -5.312 -14.769 196 H PHE 26 H PHE 26 20.132 -6.286 -10.128 197 HA PHE 26 HA PHE 26 17.446 -6.244 -11.194 198 1HB PHE 26 1HB PHE 26 18.450 -8.194 -10.121 199 2HB PHE 26 2HB PHE 26 18.600 -7.331 -8.600 200 HD1 PHE 26 HD1 PHE 26 16.623 -6.734 -7.323 201 HD2 PHE 26 HD2 PHE 26 16.280 -9.030 -10.877 202 HE1 PHE 26 HE1 PHE 26 14.255 -7.499 -6.681 203 HE2 PHE 26 HE2 PHE 26 14.001 -9.704 -10.266 204 HZ PHE 26 HZ PHE 26 12.971 -8.902 -8.159 205 H ILE 27 H ILE 27 19.159 -4.140 -9.152 206 HA ILE 27 HA ILE 27 16.737 -3.249 -7.793 207 HB ILE 27 HB ILE 27 19.616 -2.109 -7.677 208 1HG1 ILE 27 1HG1 ILE 27 18.447 -4.198 -5.963 209 2HG1 ILE 27 2HG1 ILE 27 20.004 -3.443 -5.855 210 1HG2 ILE 27 1HG2 ILE 27 18.008 -0.310 -7.587 211 2HG2 ILE 27 2HG2 ILE 27 18.731 -0.450 -6.018 212 3HG2 ILE 27 3HG2 ILE 27 17.118 -1.093 -6.261 213 1HD1 ILE 27 1HD1 ILE 27 17.527 -2.207 -4.565 214 2HD1 ILE 27 2HD1 ILE 27 19.164 -1.590 -4.459 215 3HD1 ILE 27 3HD1 ILE 27 18.765 -3.085 -3.722 216 H TYR 28 H TYR 28 19.148 -1.902 -9.905 217 HA TYR 28 HA TYR 28 18.018 0.507 -10.747 218 1HB TYR 28 1HB TYR 28 20.356 -0.373 -11.263 219 2HB TYR 28 2HB TYR 28 19.678 -1.455 -12.460 220 HD1 TYR 28 HD1 TYR 28 19.751 2.110 -11.426 221 HD2 TYR 28 HD2 TYR 28 19.351 -0.552 -14.737 222 HE1 TYR 28 HE1 TYR 28 19.743 3.986 -12.961 223 HE2 TYR 28 HE2 TYR 28 19.371 1.371 -16.256 224 HH TYR 28 HH TYR 28 19.949 4.687 -15.079 225 H SER 29 H SER 29 17.938 -2.599 -12.523 226 HA SER 29 HA SER 29 16.198 -2.125 -14.553 227 1HB SER 29 1HB SER 29 15.526 -4.629 -14.221 228 2HB SER 29 2HB SER 29 17.256 -4.360 -14.178 229 HG SER 29 HG SER 29 17.273 -4.450 -12.083 230 H HIS 30 H HIS 30 15.172 -3.447 -11.565 231 HA HIS 30 HA HIS 30 12.378 -3.103 -11.902 232 1HB HIS 30 1HB HIS 30 14.179 -3.434 -9.490 233 2HB HIS 30 2HB HIS 30 12.409 -3.433 -9.328 234 HD1 HIS 30 HD1 HIS 30 14.958 -5.298 -11.515 235 HD2 HIS 30 HD2 HIS 30 11.239 -5.721 -9.858 236 HE1 HIS 30 HE1 HIS 30 14.181 -7.582 -12.066 237 H TYR 31 H TYR 31 14.518 -0.943 -9.876 238 HA TYR 31 HA TYR 31 12.639 0.934 -9.216 239 1HB TYR 31 1HB TYR 31 15.091 0.902 -8.617 240 2HB TYR 31 2HB TYR 31 15.480 1.497 -10.202 241 HD1 TYR 31 HD1 TYR 31 13.669 2.339 -7.047 242 HD2 TYR 31 HD2 TYR 31 15.105 3.727 -10.789 243 HE1 TYR 31 HE1 TYR 31 13.173 4.687 -6.382 244 HE2 TYR 31 HE2 TYR 31 14.632 6.049 -10.115 245 HH TYR 31 HH TYR 31 14.227 7.015 -7.151 246 H LYS 32 H LYS 32 14.408 0.691 -12.258 247 HA LYS 32 HA LYS 32 13.270 3.001 -13.514 248 1HB LYS 32 1HB LYS 32 14.571 0.463 -14.629 249 2HB LYS 32 2HB LYS 32 14.228 1.911 -15.553 250 1HG LYS 32 1HG LYS 32 15.869 2.091 -13.032 251 2HG LYS 32 2HG LYS 32 16.576 1.670 -14.582 252 1HD LYS 32 1HD LYS 32 16.039 3.693 -15.594 253 2HD LYS 32 2HD LYS 32 14.727 4.092 -14.504 254 1HE LYS 32 1HE LYS 32 16.161 4.781 -12.818 255 2HE LYS 32 2HE LYS 32 17.549 3.951 -13.478 256 1HZ LYS 32 1HZ LYS 32 16.743 6.544 -14.032 257 2HZ LYS 32 2HZ LYS 32 16.511 5.658 -15.479 258 3HZ LYS 32 3HZ LYS 32 18.018 5.747 -14.720 259 H GLN 33 H GLN 33 12.553 -0.445 -13.940 260 HA GLN 33 HA GLN 33 10.305 -0.151 -15.646 261 1HB GLN 33 1HB GLN 33 10.918 -2.264 -13.556 262 2HB GLN 33 2HB GLN 33 9.523 -2.422 -14.605 263 1HG GLN 33 1HG GLN 33 12.428 -2.245 -15.474 264 2HG GLN 33 2HG GLN 33 11.352 -3.631 -15.521 265 1HE2 GLN 33 1HE2 GLN 33 9.020 -1.850 -16.475 266 2HE2 GLN 33 2HE2 GLN 33 9.439 -1.561 -18.108 267 H ALA 34 H ALA 34 10.466 -0.019 -12.284 268 HA ALA 34 HA ALA 34 7.634 0.078 -11.687 269 1HB ALA 34 1HB ALA 34 8.494 0.428 -9.386 270 2HB ALA 34 2HB ALA 34 10.099 0.675 -10.055 271 3HB ALA 34 3HB ALA 34 9.348 -0.893 -10.175 272 H THR 35 H THR 35 10.187 2.661 -12.083 273 HA THR 35 HA THR 35 8.064 4.632 -11.367 274 HB THR 35 HB THR 35 9.935 6.309 -11.282 275 HG1 THR 35 HG1 THR 35 11.685 4.133 -11.444 276 1HG2 THR 35 1HG2 THR 35 9.494 4.935 -9.194 277 2HG2 THR 35 2HG2 THR 35 11.174 5.417 -9.356 278 3HG2 THR 35 3HG2 THR 35 10.693 3.770 -9.748 279 H VAL 36 H VAL 36 10.419 3.785 -13.898 280 HA VAL 36 HA VAL 36 9.238 5.837 -15.696 281 HB VAL 36 HB VAL 36 11.699 3.967 -16.264 282 1HG1 VAL 36 1HG1 VAL 36 10.593 6.377 -17.816 283 2HG1 VAL 36 2HG1 VAL 36 10.434 4.720 -18.349 284 3HG1 VAL 36 3HG1 VAL 36 12.009 5.463 -18.244 285 1HG2 VAL 36 1HG2 VAL 36 12.092 5.620 -14.462 286 2HG2 VAL 36 2HG2 VAL 36 11.604 6.915 -15.556 287 3HG2 VAL 36 3HG2 VAL 36 13.029 5.947 -15.917 288 H GLY 37 H GLY 37 9.990 2.440 -15.905 289 1HA GLY 37 1HA GLY 37 8.355 0.694 -16.674 290 2HA GLY 37 2HA GLY 37 7.665 1.904 -17.780 291 H ASP 38 H ASP 38 8.400 1.830 -19.787 292 HA ASP 38 HA ASP 38 10.312 0.077 -20.823 293 1HB ASP 38 1HB ASP 38 9.077 2.618 -21.934 294 2HB ASP 38 2HB ASP 38 10.115 1.632 -22.908 295 H ILE 39 H ILE 39 12.497 0.084 -21.127 296 HA ILE 39 HA ILE 39 14.189 2.188 -20.099 297 HB ILE 39 HB ILE 39 14.896 -0.183 -20.566 298 1HG1 ILE 39 1HG1 ILE 39 16.633 1.683 -22.216 299 2HG1 ILE 39 2HG1 ILE 39 16.493 1.836 -20.470 300 1HG2 ILE 39 1HG2 ILE 39 14.707 0.655 -23.509 301 2HG2 ILE 39 2HG2 ILE 39 13.720 -0.552 -22.726 302 3HG2 ILE 39 3HG2 ILE 39 15.422 -0.837 -22.946 303 1HD1 ILE 39 1HD1 ILE 39 18.400 0.360 -21.004 304 2HD1 ILE 39 2HD1 ILE 39 17.387 -0.644 -22.002 305 3HD1 ILE 39 3HD1 ILE 39 17.159 -0.599 -20.260 306 H ASN 40 H ASN 40 14.796 4.214 -21.030 307 HA ASN 40 HA ASN 40 13.894 4.622 -23.835 308 1HB ASN 40 1HB ASN 40 12.116 5.288 -22.373 309 2HB ASN 40 2HB ASN 40 13.206 6.127 -21.298 310 1HD2 ASN 40 1HD2 ASN 40 12.868 8.229 -21.430 311 2HD2 ASN 40 2HD2 ASN 40 12.603 9.086 -22.889 312 H THR 41 H THR 41 16.492 4.367 -22.254 313 HA THR 41 HA THR 41 17.909 6.808 -23.226 314 HB THR 41 HB THR 41 19.672 6.180 -21.507 315 HG1 THR 41 HG1 THR 41 18.847 3.984 -20.556 316 1HG2 THR 41 1HG2 THR 41 17.337 6.778 -20.332 317 2HG2 THR 41 2HG2 THR 41 18.417 5.771 -19.386 318 3HG2 THR 41 3HG2 THR 41 17.060 5.049 -20.246 319 H GLU 42 H GLU 42 20.045 6.288 -24.449 320 HA GLU 42 HA GLU 42 19.546 3.867 -26.075 321 1HB GLU 42 1HB GLU 42 21.350 6.297 -26.407 322 2HB GLU 42 2HB GLU 42 21.560 4.876 -27.421 323 1HG GLU 42 1HG GLU 42 19.133 4.904 -27.938 324 2HG GLU 42 2HG GLU 42 18.932 6.390 -27.006 325 H ARG 43 H ARG 43 20.930 2.299 -26.452 326 HA ARG 43 HA ARG 43 22.217 1.038 -24.322 327 1HB ARG 43 1HB ARG 43 21.560 0.010 -26.510 328 2HB ARG 43 2HB ARG 43 23.041 0.660 -27.211 329 1HG ARG 43 1HG ARG 43 24.399 -0.567 -25.486 330 2HG ARG 43 2HG ARG 43 22.920 -1.191 -24.761 331 1HD ARG 43 1HD ARG 43 22.378 -2.385 -26.842 332 2HD ARG 43 2HD ARG 43 23.795 -1.669 -27.622 333 HE ARG 43 HE ARG 43 25.167 -2.883 -25.799 334 1HH1 ARG 43 1HH1 ARG 43 24.155 -4.744 -27.677 335 2HH1 ARG 43 2HH1 ARG 43 23.485 -6.014 -26.683 336 1HH2 ARG 43 1HH2 ARG 43 23.414 -3.869 -23.961 337 2HH2 ARG 43 2HH2 ARG 43 23.104 -5.462 -24.353 338 HA PRO 44 HA PRO 44 25.782 3.749 -23.537 339 1HB PRO 44 1HB PRO 44 26.300 1.262 -21.798 340 2HB PRO 44 2HB PRO 44 26.633 2.968 -21.442 341 1HG PRO 44 1HG PRO 44 24.347 2.033 -20.507 342 2HG PRO 44 2HG PRO 44 24.260 3.545 -21.413 343 1HD PRO 44 1HD PRO 44 23.670 0.718 -22.450 344 2HD PRO 44 2HD PRO 44 22.698 2.206 -22.629 345 H GLY 45 H GLY 45 28.047 3.785 -23.765 346 1HA GLY 45 1HA GLY 45 28.996 1.948 -25.944 347 2HA GLY 45 2HA GLY 45 29.606 3.557 -25.688 348 H MET 46 H MET 46 31.572 3.271 -25.565 349 HA MET 46 HA MET 46 33.369 1.351 -24.946 350 1HB MET 46 1HB MET 46 35.001 3.174 -24.674 351 2HB MET 46 2HB MET 46 33.895 3.488 -25.992 352 1HG MET 46 1HG MET 46 32.567 4.995 -24.536 353 2HG MET 46 2HG MET 46 33.593 4.619 -23.178 354 1HE MET 46 1HE MET 46 35.703 6.487 -22.521 355 2HE MET 46 2HE MET 46 36.866 6.140 -23.813 356 3HE MET 46 3HE MET 46 35.932 4.844 -23.125 357 H LEU 47 H LEU 47 31.899 0.684 -22.850 358 HA LEU 47 HA LEU 47 33.746 0.833 -20.542 359 1HB LEU 47 1HB LEU 47 30.725 1.252 -20.310 360 2HB LEU 47 2HB LEU 47 31.800 1.093 -18.955 361 HG LEU 47 HG LEU 47 31.953 3.329 -21.053 362 1HD1 LEU 47 1HD1 LEU 47 29.909 3.460 -19.625 363 2HD1 LEU 47 2HD1 LEU 47 31.042 4.738 -19.193 364 3HD1 LEU 47 3HD1 LEU 47 30.902 3.309 -18.189 365 1HD2 LEU 47 1HD2 LEU 47 34.151 2.836 -19.914 366 2HD2 LEU 47 2HD2 LEU 47 33.365 2.997 -18.354 367 3HD2 LEU 47 3HD2 LEU 47 33.522 4.384 -19.419 368 H ASP 48 H ASP 48 31.005 -0.545 -22.086 369 HA ASP 48 HA ASP 48 30.214 -2.621 -22.412 370 1HB ASP 48 1HB ASP 48 32.577 -3.350 -22.685 371 2HB ASP 48 2HB ASP 48 32.770 -3.574 -20.963 372 H PHE 49 H PHE 49 31.653 -3.638 -19.570 373 HA PHE 49 HA PHE 49 30.049 -4.883 -17.996 374 1HB PHE 49 1HB PHE 49 31.539 -4.332 -16.289 375 2HB PHE 49 2HB PHE 49 32.418 -3.652 -17.632 376 HD1 PHE 49 HD1 PHE 49 32.065 -2.982 -14.511 377 HD2 PHE 49 HD2 PHE 49 30.896 -1.109 -18.137 378 HE1 PHE 49 HE1 PHE 49 31.939 -0.848 -13.360 379 HE2 PHE 49 HE2 PHE 49 30.722 1.050 -16.968 380 HZ PHE 49 HZ PHE 49 31.196 1.131 -14.538 381 H LYS 50 H LYS 50 29.764 -2.728 -15.685 382 HA LYS 50 HA LYS 50 27.153 -2.818 -15.239 383 1HB LYS 50 1HB LYS 50 29.037 -0.442 -14.799 384 2HB LYS 50 2HB LYS 50 27.531 -0.555 -13.969 385 1HG LYS 50 1HG LYS 50 28.505 -2.788 -12.850 386 2HG LYS 50 2HG LYS 50 29.958 -2.380 -13.639 387 1HD LYS 50 1HD LYS 50 30.257 -0.394 -12.318 388 2HD LYS 50 2HD LYS 50 28.569 -0.278 -11.940 389 1HE LYS 50 1HE LYS 50 30.237 -1.041 -10.071 390 2HE LYS 50 2HE LYS 50 28.706 -1.888 -10.242 391 1HZ LYS 50 1HZ LYS 50 29.906 -3.705 -10.400 392 2HZ LYS 50 2HZ LYS 50 31.370 -2.919 -10.697 393 3HZ LYS 50 3HZ LYS 50 30.246 -3.279 -11.951 394 H GLY 51 H GLY 51 28.557 -0.470 -17.212 395 1HA GLY 51 1HA GLY 51 26.371 1.224 -17.847 396 2HA GLY 51 2HA GLY 51 27.591 0.822 -19.051 397 H LYS 52 H LYS 52 27.213 -1.536 -20.003 398 HA LYS 52 HA LYS 52 24.571 -1.517 -21.218 399 1HB LYS 52 1HB LYS 52 27.055 -3.200 -21.409 400 2HB LYS 52 2HB LYS 52 25.596 -3.716 -22.254 401 1HG LYS 52 1HG LYS 52 25.744 -2.036 -23.857 402 2HG LYS 52 2HG LYS 52 26.175 -0.832 -22.678 403 1HD LYS 52 1HD LYS 52 28.103 -0.913 -23.922 404 2HD LYS 52 2HD LYS 52 28.433 -1.884 -22.525 405 1HE LYS 52 1HE LYS 52 27.666 -2.982 -25.311 406 2HE LYS 52 2HE LYS 52 29.316 -2.836 -24.759 407 1HZ LYS 52 1HZ LYS 52 27.935 -4.303 -22.799 408 2HZ LYS 52 2HZ LYS 52 29.166 -4.800 -23.750 409 3HZ LYS 52 3HZ LYS 52 27.598 -5.037 -24.310 410 H ALA 53 H ALA 53 26.100 -3.392 -18.747 411 HA ALA 53 HA ALA 53 24.149 -5.503 -18.824 412 1HB ALA 53 1HB ALA 53 26.369 -5.753 -17.601 413 2HB ALA 53 2HB ALA 53 25.058 -6.053 -16.475 414 3HB ALA 53 3HB ALA 53 25.889 -4.503 -16.471 415 H LYS 54 H LYS 54 24.342 -2.483 -16.771 416 HA LYS 54 HA LYS 54 21.767 -3.085 -15.614 417 1HB LYS 54 1HB LYS 54 22.105 -1.120 -14.431 418 2HB LYS 54 2HB LYS 54 23.754 -1.498 -14.846 419 1HG LYS 54 1HG LYS 54 23.418 0.036 -16.930 420 2HG LYS 54 2HG LYS 54 21.938 0.595 -16.125 421 1HD LYS 54 1HD LYS 54 23.527 0.794 -14.016 422 2HD LYS 54 2HD LYS 54 24.780 0.705 -15.226 423 1HE LYS 54 1HE LYS 54 24.411 3.117 -14.847 424 2HE LYS 54 2HE LYS 54 23.592 2.804 -16.361 425 1HZ LYS 54 1HZ LYS 54 22.431 3.956 -14.125 426 2HZ LYS 54 2HZ LYS 54 21.759 2.389 -14.137 427 3HZ LYS 54 3HZ LYS 54 21.659 3.584 -15.392 428 H TRP 55 H TRP 55 22.745 -1.872 -18.849 429 HA TRP 55 HA TRP 55 20.264 -0.408 -19.177 430 1HB TRP 55 1HB TRP 55 22.611 -0.160 -20.389 431 2HB TRP 55 2HB TRP 55 22.149 -1.553 -21.356 432 HD1 TRP 55 HD1 TRP 55 20.875 1.976 -20.384 433 HE1 TRP 55 HE1 TRP 55 19.395 2.714 -22.242 434 HE3 TRP 55 HE3 TRP 55 20.938 -2.157 -23.202 435 HZ2 TRP 55 HZ2 TRP 55 18.307 1.695 -24.782 436 HZ3 TRP 55 HZ3 TRP 55 19.700 -2.310 -25.328 437 HH2 TRP 55 HH2 TRP 55 18.376 -0.377 -26.123 438 H ASP 56 H ASP 56 21.732 -3.346 -20.644 439 HA ASP 56 HA ASP 56 19.721 -4.708 -21.663 440 1HB ASP 56 1HB ASP 56 22.176 -5.313 -19.996 441 2HB ASP 56 2HB ASP 56 21.548 -6.634 -20.828 442 H ALA 57 H ALA 57 20.706 -5.045 -18.315 443 HA ALA 57 HA ALA 57 18.782 -6.700 -17.274 444 1HB ALA 57 1HB ALA 57 20.754 -5.879 -16.023 445 2HB ALA 57 2HB ALA 57 19.300 -5.591 -15.067 446 3HB ALA 57 3HB ALA 57 20.045 -4.268 -15.963 447 H TRP 58 H TRP 58 18.376 -3.370 -18.099 448 HA TRP 58 HA TRP 58 15.666 -3.262 -16.866 449 1HB TRP 58 1HB TRP 58 17.124 -1.206 -16.517 450 2HB TRP 58 2HB TRP 58 17.283 -1.057 -18.256 451 HD1 TRP 58 HD1 TRP 58 13.808 -2.183 -17.107 452 HE1 TRP 58 HE1 TRP 58 12.253 -0.188 -17.397 453 HE3 TRP 58 HE3 TRP 58 17.103 1.434 -17.961 454 HZ2 TRP 58 HZ2 TRP 58 12.285 2.573 -17.840 455 HZ3 TRP 58 HZ3 TRP 58 16.373 3.809 -18.305 456 HH2 TRP 58 HH2 TRP 58 13.971 4.388 -18.233 457 H ASN 59 H ASN 59 17.307 -3.063 -20.187 458 HA ASN 59 HA ASN 59 14.896 -2.607 -21.577 459 1HB ASN 59 1HB ASN 59 17.351 -2.563 -22.531 460 2HB ASN 59 2HB ASN 59 17.292 -4.303 -22.474 461 1HD2 ASN 59 1HD2 ASN 59 17.571 -4.378 -24.785 462 2HD2 ASN 59 2HD2 ASN 59 16.251 -4.047 -25.814 463 H GLU 60 H GLU 60 16.358 -5.685 -20.299 464 HA GLU 60 HA GLU 60 14.538 -7.396 -21.558 465 1HB GLU 60 1HB GLU 60 16.203 -7.539 -19.012 466 2HB GLU 60 2HB GLU 60 15.252 -8.919 -19.546 467 1HG GLU 60 1HG GLU 60 17.414 -7.535 -21.207 468 2HG GLU 60 2HG GLU 60 17.562 -9.110 -20.461 469 H LEU 61 H LEU 61 13.776 -5.193 -19.118 470 HA LEU 61 HA LEU 61 11.339 -6.713 -18.451 471 1HB LEU 61 1HB LEU 61 12.595 -4.410 -16.942 472 2HB LEU 61 2HB LEU 61 11.316 -5.497 -16.373 473 HG LEU 61 HG LEU 61 14.290 -6.117 -16.687 474 1HD1 LEU 61 1HD1 LEU 61 13.506 -4.722 -14.741 475 2HD1 LEU 61 2HD1 LEU 61 14.055 -6.304 -14.211 476 3HD1 LEU 61 3HD1 LEU 61 12.340 -5.965 -14.330 477 1HD2 LEU 61 1HD2 LEU 61 12.846 -8.013 -17.351 478 2HD2 LEU 61 2HD2 LEU 61 11.968 -7.906 -15.826 479 3HD2 LEU 61 3HD2 LEU 61 13.676 -8.335 -15.838 480 H LYS 62 H LYS 62 12.604 -4.195 -20.242 481 HA LYS 62 HA LYS 62 11.500 -1.951 -20.163 482 1HB LYS 62 1HB LYS 62 12.641 -2.886 -22.076 483 2HB LYS 62 2HB LYS 62 11.219 -3.802 -22.531 484 1HG LYS 62 1HG LYS 62 10.035 -1.418 -22.596 485 2HG LYS 62 2HG LYS 62 11.652 -0.769 -22.571 486 1HD LYS 62 1HD LYS 62 12.284 -2.171 -24.511 487 2HD LYS 62 2HD LYS 62 10.642 -2.784 -24.584 488 1HE LYS 62 1HE LYS 62 11.508 0.112 -24.929 489 2HE LYS 62 2HE LYS 62 10.970 -0.955 -26.218 490 1HZ LYS 62 1HZ LYS 62 8.812 -0.462 -25.682 491 2HZ LYS 62 2HZ LYS 62 9.351 0.645 -24.560 492 3HZ LYS 62 3HZ LYS 62 9.026 -0.903 -24.071 493 H GLY 63 H GLY 63 9.180 -4.354 -21.280 494 1HA GLY 63 1HA GLY 63 7.124 -2.240 -20.990 495 2HA GLY 63 2HA GLY 63 6.956 -3.717 -21.918 496 H THR 64 H THR 64 7.887 -3.052 -18.659 497 HA THR 64 HA THR 64 5.915 -5.124 -17.734 498 HB THR 64 HB THR 64 8.172 -3.747 -16.161 499 HG1 THR 64 HG1 THR 64 8.707 -5.192 -17.705 500 1HG2 THR 64 1HG2 THR 64 7.814 -5.539 -14.566 501 2HG2 THR 64 2HG2 THR 64 6.549 -6.264 -15.540 502 3HG2 THR 64 3HG2 THR 64 6.249 -4.764 -14.660 503 H SER 65 H SER 65 4.559 -4.805 -16.021 504 HA SER 65 HA SER 65 3.223 -2.188 -16.018 505 1HB SER 65 1HB SER 65 2.560 -4.648 -14.297 506 2HB SER 65 2HB SER 65 1.506 -3.299 -14.771 507 HG SER 65 HG SER 65 1.698 -5.515 -16.173 508 H LYS 66 H LYS 66 3.967 -0.702 -14.593 509 HA LYS 66 HA LYS 66 6.152 -0.713 -13.049 510 1HB LYS 66 1HB LYS 66 3.483 0.717 -12.698 511 2HB LYS 66 2HB LYS 66 4.847 1.100 -11.651 512 1HG LYS 66 1HG LYS 66 6.285 1.545 -13.603 513 2HG LYS 66 2HG LYS 66 4.981 1.112 -14.700 514 1HD LYS 66 1HD LYS 66 3.660 3.030 -13.947 515 2HD LYS 66 2HD LYS 66 4.751 3.313 -12.614 516 1HE LYS 66 1HE LYS 66 5.181 4.996 -14.378 517 2HE LYS 66 2HE LYS 66 6.555 3.934 -14.134 518 1HZ LYS 66 1HZ LYS 66 6.479 3.583 -16.333 519 2HZ LYS 66 2HZ LYS 66 5.003 4.273 -16.503 520 3HZ LYS 66 3HZ LYS 66 5.081 2.630 -16.066 521 H GLU 67 H GLU 67 3.063 -1.427 -11.854 522 HA GLU 67 HA GLU 67 3.343 -2.003 -9.245 523 1HB GLU 67 1HB GLU 67 1.720 -3.145 -11.559 524 2HB GLU 67 2HB GLU 67 1.353 -3.598 -9.936 525 1HG GLU 67 1HG GLU 67 0.663 -1.293 -9.348 526 2HG GLU 67 2HG GLU 67 1.567 -0.581 -10.650 527 H ASP 68 H ASP 68 4.013 -4.545 -11.745 528 HA ASP 68 HA ASP 68 4.769 -6.430 -9.634 529 1HB ASP 68 1HB ASP 68 4.335 -6.598 -12.487 530 2HB ASP 68 2HB ASP 68 5.925 -7.233 -12.070 531 H ALA 69 H ALA 69 6.309 -4.101 -11.504 532 HA ALA 69 HA ALA 69 9.049 -4.980 -10.881 533 1HB ALA 69 1HB ALA 69 8.080 -2.111 -11.482 534 2HB ALA 69 2HB ALA 69 8.475 -3.279 -12.717 535 3HB ALA 69 3HB ALA 69 9.736 -2.690 -11.631 536 H MET 70 H MET 70 6.604 -2.805 -9.460 537 HA MET 70 HA MET 70 8.121 -2.060 -7.145 538 1HB MET 70 1HB MET 70 5.061 -2.542 -7.237 539 2HB MET 70 2HB MET 70 5.878 -1.568 -6.036 540 1HG MET 70 1HG MET 70 6.718 -0.167 -8.066 541 2HG MET 70 2HG MET 70 5.471 -1.002 -8.948 542 1HE MET 70 1HE MET 70 4.601 2.791 -8.396 543 2HE MET 70 2HE MET 70 5.074 1.613 -9.603 544 3HE MET 70 3HE MET 70 6.218 2.104 -8.326 545 H LYS 71 H LYS 71 5.868 -4.768 -7.517 546 HA LYS 71 HA LYS 71 6.281 -6.029 -5.075 547 1HB LYS 71 1HB LYS 71 5.939 -7.198 -7.857 548 2HB LYS 71 2HB LYS 71 6.314 -8.282 -6.532 549 1HG LYS 71 1HG LYS 71 4.297 -7.843 -5.397 550 2HG LYS 71 2HG LYS 71 3.976 -6.378 -6.314 551 1HD LYS 71 1HD LYS 71 2.568 -8.320 -7.091 552 2HD LYS 71 2HD LYS 71 3.544 -7.611 -8.346 553 1HE LYS 71 1HE LYS 71 5.240 -9.532 -7.924 554 2HE LYS 71 2HE LYS 71 4.014 -10.255 -6.893 555 1HZ LYS 71 1HZ LYS 71 2.994 -11.033 -8.798 556 2HZ LYS 71 2HZ LYS 71 4.184 -10.223 -9.736 557 3HZ LYS 71 3HZ LYS 71 2.826 -9.417 -9.345 558 H ALA 72 H ALA 72 8.159 -7.056 -7.976 559 HA ALA 72 HA ALA 72 10.197 -8.321 -6.537 560 1HB ALA 72 1HB ALA 72 11.285 -8.159 -8.861 561 2HB ALA 72 2HB ALA 72 9.944 -7.108 -9.304 562 3HB ALA 72 3HB ALA 72 9.638 -8.754 -8.828 563 H TYR 73 H TYR 73 9.608 -4.967 -6.886 564 HA TYR 73 HA TYR 73 12.396 -4.200 -6.632 565 1HB TYR 73 1HB TYR 73 10.738 -2.614 -7.637 566 2HB TYR 73 2HB TYR 73 9.935 -2.514 -6.086 567 HD1 TYR 73 HD1 TYR 73 13.182 -1.986 -7.734 568 HD2 TYR 73 HD2 TYR 73 10.698 -0.952 -4.459 569 HE1 TYR 73 HE1 TYR 73 14.833 -0.280 -7.033 570 HE2 TYR 73 HE2 TYR 73 12.333 0.753 -3.798 571 HH TYR 73 HH TYR 73 15.204 1.531 -5.588 572 H ILE 74 H ILE 74 9.616 -3.867 -4.636 573 HA ILE 74 HA ILE 74 10.773 -3.259 -2.133 574 HB ILE 74 HB ILE 74 8.192 -4.727 -2.843 575 1HG1 ILE 74 1HG1 ILE 74 8.585 -1.755 -2.264 576 2HG1 ILE 74 2HG1 ILE 74 8.728 -2.361 -3.901 577 1HG2 ILE 74 1HG2 ILE 74 8.907 -4.753 -0.344 578 2HG2 ILE 74 2HG2 ILE 74 7.491 -3.756 -0.593 579 3HG2 ILE 74 3HG2 ILE 74 9.061 -2.997 -0.398 580 1HD1 ILE 74 1HD1 ILE 74 6.477 -3.317 -3.813 581 2HD1 ILE 74 2HD1 ILE 74 6.425 -1.589 -3.479 582 3HD1 ILE 74 3HD1 ILE 74 6.270 -2.742 -2.168 583 H ASP 75 H ASP 75 10.315 -6.327 -3.789 584 HA ASP 75 HA ASP 75 10.916 -8.107 -1.675 585 1HB ASP 75 1HB ASP 75 11.087 -8.261 -4.685 586 2HB ASP 75 2HB ASP 75 11.196 -9.643 -3.666 587 H LYS 76 H LYS 76 12.855 -6.319 -3.796 588 HA LYS 76 HA LYS 76 15.424 -7.819 -3.499 589 1HB LYS 76 1HB LYS 76 15.743 -6.798 -5.392 590 2HB LYS 76 2HB LYS 76 14.200 -5.960 -5.208 591 1HG LYS 76 1HG LYS 76 15.468 -4.133 -3.905 592 2HG LYS 76 2HG LYS 76 16.932 -5.040 -4.259 593 1HD LYS 76 1HD LYS 76 16.493 -3.179 -5.816 594 2HD LYS 76 2HD LYS 76 16.641 -4.750 -6.561 595 1HE LYS 76 1HE LYS 76 14.010 -3.623 -5.812 596 2HE LYS 76 2HE LYS 76 14.789 -3.053 -7.288 597 1HZ LYS 76 1HZ LYS 76 15.104 -5.801 -7.129 598 2HZ LYS 76 2HZ LYS 76 14.335 -5.043 -8.366 599 3HZ LYS 76 3HZ LYS 76 13.440 -5.578 -7.021 600 H VAL 77 H VAL 77 13.909 -4.768 -2.713 601 HA VAL 77 HA VAL 77 15.905 -3.832 -0.911 602 HB VAL 77 HB VAL 77 12.853 -3.473 -0.767 603 1HG1 VAL 77 1HG1 VAL 77 15.176 -1.755 0.258 604 2HG1 VAL 77 2HG1 VAL 77 14.078 -2.679 1.268 605 3HG1 VAL 77 3HG1 VAL 77 13.501 -1.307 0.350 606 1HG2 VAL 77 1HG2 VAL 77 13.796 -2.852 -3.065 607 2HG2 VAL 77 2HG2 VAL 77 15.037 -1.916 -2.275 608 3HG2 VAL 77 3HG2 VAL 77 13.393 -1.384 -2.210 609 H GLU 78 H GLU 78 12.930 -5.862 -0.236 610 HA GLU 78 HA GLU 78 13.261 -6.542 2.389 611 1HB GLU 78 1HB GLU 78 11.888 -7.452 0.028 612 2HB GLU 78 2HB GLU 78 12.489 -8.884 0.784 613 1HG GLU 78 1HG GLU 78 10.897 -6.748 2.287 614 2HG GLU 78 2HG GLU 78 10.166 -8.146 1.508 615 H GLU 79 H GLU 79 14.458 -8.556 -0.274 616 HA GLU 79 HA GLU 79 16.080 -10.347 1.037 617 1HB GLU 79 1HB GLU 79 15.857 -9.127 -1.677 618 2HB GLU 79 2HB GLU 79 17.339 -9.986 -1.406 619 1HG GLU 79 1HG GLU 79 14.748 -11.356 -0.567 620 2HG GLU 79 2HG GLU 79 15.162 -11.318 -2.277 621 H LEU 80 H LEU 80 17.015 -7.218 -0.152 622 HA LEU 80 HA LEU 80 19.812 -7.386 0.572 623 1HB LEU 80 1HB LEU 80 17.947 -5.133 -0.248 624 2HB LEU 80 2HB LEU 80 19.668 -4.897 -0.028 625 HG LEU 80 HG LEU 80 18.457 -6.991 -1.931 626 1HD1 LEU 80 1HD1 LEU 80 18.057 -4.660 -2.553 627 2HD1 LEU 80 2HD1 LEU 80 19.180 -5.470 -3.652 628 3HD1 LEU 80 3HD1 LEU 80 19.793 -4.353 -2.440 629 1HD2 LEU 80 1HD2 LEU 80 20.740 -7.087 -2.793 630 2HD2 LEU 80 2HD2 LEU 80 20.777 -7.539 -1.127 631 3HD2 LEU 80 3HD2 LEU 80 21.304 -5.928 -1.611 632 H LYS 81 H LYS 81 17.034 -5.808 2.054 633 HA LYS 81 HA LYS 81 18.432 -4.605 4.253 634 1HB LYS 81 1HB LYS 81 15.952 -4.326 3.370 635 2HB LYS 81 2HB LYS 81 15.575 -5.838 4.159 636 1HG LYS 81 1HG LYS 81 16.118 -4.898 6.332 637 2HG LYS 81 2HG LYS 81 16.747 -3.445 5.600 638 1HD LYS 81 1HD LYS 81 14.325 -3.204 4.538 639 2HD LYS 81 2HD LYS 81 13.832 -4.320 5.790 640 1HE LYS 81 1HE LYS 81 15.001 -1.527 6.129 641 2HE LYS 81 2HE LYS 81 13.403 -2.083 6.612 642 1HZ LYS 81 1HZ LYS 81 15.427 -3.692 7.756 643 2HZ LYS 81 2HZ LYS 81 14.286 -2.735 8.620 644 3HZ LYS 81 3HZ LYS 81 15.810 -2.186 8.127 645 H LYS 82 H LYS 82 17.016 -7.796 3.808 646 HA LYS 82 HA LYS 82 17.878 -8.770 6.297 647 1HB LYS 82 1HB LYS 82 17.034 -10.088 3.672 648 2HB LYS 82 2HB LYS 82 17.298 -11.016 5.154 649 1HG LYS 82 1HG LYS 82 15.749 -9.616 6.378 650 2HG LYS 82 2HG LYS 82 15.523 -8.555 5.004 651 1HD LYS 82 1HD LYS 82 14.251 -10.076 3.782 652 2HD LYS 82 2HD LYS 82 14.721 -11.453 4.788 653 1HE LYS 82 1HE LYS 82 13.627 -10.502 6.731 654 2HE LYS 82 2HE LYS 82 13.374 -8.960 5.938 655 1HZ LYS 82 1HZ LYS 82 12.163 -10.867 4.313 656 2HZ LYS 82 2HZ LYS 82 11.491 -9.650 5.117 657 3HZ LYS 82 3HZ LYS 82 11.595 -11.169 5.906 658 H LYS 83 H LYS 83 19.236 -9.083 3.204 659 HA LYS 83 HA LYS 83 21.542 -10.688 3.831 660 1HB LYS 83 1HB LYS 83 21.026 -8.697 1.610 661 2HB LYS 83 2HB LYS 83 22.501 -9.625 1.682 662 1HG LYS 83 1HG LYS 83 21.387 -11.678 1.282 663 2HG LYS 83 2HG LYS 83 19.821 -11.018 1.696 664 1HD LYS 83 1HD LYS 83 19.612 -9.772 -0.315 665 2HD LYS 83 2HD LYS 83 21.330 -9.690 -0.610 666 1HE LYS 83 1HE LYS 83 20.233 -11.176 -2.237 667 2HE LYS 83 2HE LYS 83 21.410 -12.044 -1.267 668 1HZ LYS 83 1HZ LYS 83 19.710 -13.444 -0.628 669 2HZ LYS 83 2HZ LYS 83 18.651 -12.564 -1.546 670 3HZ LYS 83 3HZ LYS 83 18.845 -12.129 0.029 671 H TYR 84 H TYR 84 21.271 -7.207 3.519 672 HA TYR 84 HA TYR 84 23.995 -6.780 4.481 673 1HB TYR 84 1HB TYR 84 21.891 -5.001 3.192 674 2HB TYR 84 2HB TYR 84 23.446 -4.380 3.740 675 HD1 TYR 84 HD1 TYR 84 21.792 -6.414 1.131 676 HD2 TYR 84 HD2 TYR 84 25.562 -5.337 2.821 677 HE1 TYR 84 HE1 TYR 84 22.912 -7.316 -0.798 678 HE2 TYR 84 HE2 TYR 84 26.682 -6.240 0.841 679 HH TYR 84 HH TYR 84 26.391 -7.688 -0.923 680 H GLY 85 H GLY 85 20.772 -6.314 6.082 681 1HA GLY 85 1HA GLY 85 20.864 -6.106 8.474 682 2HA GLY 85 2HA GLY 85 22.429 -5.399 8.390 683 H ILE 86 H ILE 86 19.603 -3.911 6.746 684 HA ILE 86 HA ILE 86 19.822 -1.794 8.828 685 HB ILE 86 HB ILE 86 20.462 -1.285 6.378 686 1HG1 ILE 86 1HG1 ILE 86 17.964 0.052 7.512 687 2HG1 ILE 86 2HG1 ILE 86 19.576 0.519 7.970 688 1HG2 ILE 86 1HG2 ILE 86 17.490 -1.679 6.008 689 2HG2 ILE 86 2HG2 ILE 86 18.742 -2.744 5.360 690 3HG2 ILE 86 3HG2 ILE 86 18.563 -1.105 4.764 691 1HD1 ILE 86 1HD1 ILE 86 19.976 1.251 5.544 692 2HD1 ILE 86 2HD1 ILE 86 18.678 2.156 6.284 693 3HD1 ILE 86 3HD1 ILE 86 18.294 0.885 5.164 694 AH2 COA 1 AH2 COA 1 16.919 1.180 -7.596 695 AH61 COA 1 AH61 COA 1 16.536 5.250 -4.385 696 AH62 COA 1 AH62 COA 1 15.872 3.634 -4.216 697 AH8 COA 1 AH8 COA 1 18.929 7.275 -8.273 698 AH1* COA 1 AH1* COA 1 18.809 4.160 -10.652 699 AH2* COA 1 AH2* COA 1 19.052 7.150 -10.411 700 AHO2 COA 1 AHO2 COA 1 18.954 6.232 -12.865 701 AH3* COA 1 AH3* COA 1 21.155 7.280 -11.448 702 AH4* COA 1 AH4* COA 1 22.166 4.752 -10.892 703 AH51 COA 1 AH51 COA 1 22.981 6.842 -9.807 704 AH52 COA 1 AH52 COA 1 22.602 5.667 -8.585 705 1H12 COA 1 1H12 COA 1 22.800 8.743 -4.430 706 2H12 COA 1 2H12 COA 1 24.253 9.340 -5.130 707 1H13 COA 1 1H13 COA 1 25.997 7.837 -5.995 708 2H13 COA 1 2H13 COA 1 25.839 6.079 -5.890 709 3H13 COA 1 3H13 COA 1 24.761 7.014 -6.925 710 1H14 COA 1 1H14 COA 1 22.533 6.142 -4.242 711 2H14 COA 1 2H14 COA 1 22.880 5.969 -5.960 712 3H14 COA 1 3H14 COA 1 23.834 5.100 -4.766 713 H10 COA 1 H10 COA 1 25.722 8.016 -3.312 714 HO1 COA 1 HO1 COA 1 25.751 5.624 -4.169 715 HN8 COA 1 HN8 COA 1 24.232 5.633 -2.049 716 1H7 COA 1 1H7 COA 1 21.836 7.004 -0.885 717 2H7 COA 1 2H7 COA 1 22.169 5.281 -0.947 718 1H6 COA 1 1H6 COA 1 23.670 7.450 0.606 719 2H6 COA 1 2H6 COA 1 22.711 6.197 1.417 720 HN4 COA 1 HN4 COA 1 23.883 4.445 -0.671 721 1H3 COA 1 1H3 COA 1 26.427 3.760 0.771 722 2H3 COA 1 2H3 COA 1 25.440 2.604 -0.132 723 1H2 COA 1 1H2 COA 1 27.636 3.807 -1.219 724 2H2 COA 1 2H2 COA 1 26.480 5.058 -1.552 725 1H2 PLY 2 1H2 PLY 2 23.705 2.151 -4.709 726 2H2 PLY 2 2H2 PLY 2 24.521 1.058 -3.598 727 1H3 PLY 2 1H3 PLY 2 22.691 0.955 -2.103 728 2H3 PLY 2 2H3 PLY 2 21.836 2.299 -2.838 729 1H4 PLY 2 1H4 PLY 2 20.580 0.419 -3.816 730 2H4 PLY 2 2H4 PLY 2 21.986 -0.649 -3.791 731 1H5 PLY 2 1H5 PLY 2 22.761 0.731 -5.717 732 2H5 PLY 2 2H5 PLY 2 21.343 -0.240 -5.962 733 1H6 PLY 2 1H6 PLY 2 19.886 1.733 -5.541 734 2H6 PLY 2 2H6 PLY 2 21.307 2.748 -5.340 735 1H7 PLY 2 1H7 PLY 2 20.809 0.966 -7.714 736 2H7 PLY 2 2H7 PLY 2 20.256 2.634 -7.706 737 1H8 PLY 2 1H8 PLY 2 23.203 1.947 -7.195 738 2H8 PLY 2 2H8 PLY 2 22.509 3.493 -7.640 739 1H9 PLY 2 1H9 PLY 2 21.869 2.574 -9.838 740 2H9 PLY 2 2H9 PLY 2 22.532 1.008 -9.424 741 1HA PLY 2 1HA PLY 2 23.905 3.684 -9.886 742 2HA PLY 2 2HA PLY 2 24.759 2.510 -8.906 743 1HB PLY 2 1HB PLY 2 25.300 2.497 -11.423 744 2HB PLY 2 2HB PLY 2 23.662 1.953 -11.702 745 1HC PLY 2 1HC PLY 2 24.441 0.092 -9.808 746 2HC PLY 2 2HC PLY 2 25.993 0.435 -10.527 747 1HD PLY 2 1HD PLY 2 25.107 -0.074 -12.791 748 2HD PLY 2 2HD PLY 2 23.496 -0.269 -12.124 749 1HE PLY 2 1HE PLY 2 24.042 -2.389 -12.170 750 2HE PLY 2 2HE PLY 2 24.621 -2.016 -10.568 751 1HF PLY 2 1HF PLY 2 26.767 -2.770 -11.195 752 2HF PLY 2 2HF PLY 2 26.821 -1.471 -12.367 753 1HG PLY 2 1HG PLY 2 25.597 -2.767 -13.967 754 2HG PLY 2 2HG PLY 2 25.501 -4.128 -12.838 755 3HG PLY 2 3HG PLY 2 27.044 -3.650 -13.481 Start of MODEL 10 1 1H SER 1 1H SER 1 1.244 -0.676 -3.725 2 2H SER 1 2H SER 1 1.661 -2.138 -4.502 3 H SER 1 H SER 1 2.609 -1.594 -3.208 4 HA SER 1 HA SER 1 3.914 -0.657 -4.806 5 1HB SER 1 1HB SER 1 1.556 -0.927 -6.761 6 2HB SER 1 2HB SER 1 3.272 -0.969 -7.188 7 HG SER 1 HG SER 1 3.001 -3.046 -6.853 8 H GLN 2 H GLN 2 4.305 1.448 -5.440 9 HA GLN 2 HA GLN 2 3.441 3.654 -6.287 10 1HB GLN 2 1HB GLN 2 1.714 4.796 -4.846 11 2HB GLN 2 2HB GLN 2 1.060 3.293 -5.416 12 1HG GLN 2 1HG GLN 2 0.458 3.254 -3.080 13 2HG GLN 2 2HG GLN 2 1.929 2.312 -3.055 14 1HE2 GLN 2 1HE2 GLN 2 3.326 2.771 -1.657 15 2HE2 GLN 2 2HE2 GLN 2 3.481 4.285 -0.888 16 H ALA 3 H ALA 3 3.383 5.431 -3.930 17 HA ALA 3 HA ALA 3 6.017 6.021 -3.351 18 1HB ALA 3 1HB ALA 3 3.721 6.349 -1.414 19 2HB ALA 3 2HB ALA 3 4.171 7.439 -2.701 20 3HB ALA 3 3HB ALA 3 5.265 7.171 -1.359 21 H GLU 4 H GLU 4 4.669 3.061 -2.290 22 HA GLU 4 HA GLU 4 6.150 2.729 0.123 23 1HB GLU 4 1HB GLU 4 4.065 1.217 -1.319 24 2HB GLU 4 2HB GLU 4 5.308 0.240 -0.620 25 1HG GLU 4 1HG GLU 4 5.011 1.560 1.595 26 2HG GLU 4 2HG GLU 4 3.535 2.202 0.888 27 H PHE 5 H PHE 5 6.421 2.095 -3.089 28 HA PHE 5 HA PHE 5 8.636 0.196 -2.874 29 1HB PHE 5 1HB PHE 5 7.386 -0.314 -4.775 30 2HB PHE 5 2HB PHE 5 6.620 1.266 -4.746 31 HD1 PHE 5 HD1 PHE 5 7.755 3.124 -5.580 32 HD2 PHE 5 HD2 PHE 5 9.223 -0.763 -6.106 33 HE1 PHE 5 HE1 PHE 5 9.276 3.941 -7.468 34 HE2 PHE 5 HE2 PHE 5 10.718 -0.098 -7.911 35 HZ PHE 5 HZ PHE 5 10.744 2.289 -8.618 36 H ASP 6 H ASP 6 7.886 3.633 -3.434 37 HA ASP 6 HA ASP 6 10.470 4.492 -4.026 38 1HB ASP 6 1HB ASP 6 8.018 5.746 -2.730 39 2HB ASP 6 2HB ASP 6 9.406 6.643 -3.229 40 H LYS 7 H LYS 7 8.584 4.045 -1.198 41 HA LYS 7 HA LYS 7 10.324 4.945 0.839 42 1HB LYS 7 1HB LYS 7 8.091 4.420 1.467 43 2HB LYS 7 2HB LYS 7 8.100 2.954 0.563 44 1HG LYS 7 1HG LYS 7 9.456 1.749 2.122 45 2HG LYS 7 2HG LYS 7 9.805 3.190 3.051 46 1HD LYS 7 1HD LYS 7 7.005 2.048 2.509 47 2HD LYS 7 2HD LYS 7 7.910 1.589 3.946 48 1HE LYS 7 1HE LYS 7 7.001 4.419 3.238 49 2HE LYS 7 2HE LYS 7 6.343 3.373 4.489 50 1HZ LYS 7 1HZ LYS 7 9.126 3.338 4.808 51 2HZ LYS 7 2HZ LYS 7 7.992 4.025 5.826 52 3HZ LYS 7 3HZ LYS 7 8.727 4.964 4.626 53 H ALA 8 H ALA 8 9.953 1.810 -0.731 54 HA ALA 8 HA ALA 8 12.059 0.448 0.707 55 1HB ALA 8 1HB ALA 8 10.256 -0.630 -0.728 56 2HB ALA 8 2HB ALA 8 11.833 -1.241 -1.144 57 3HB ALA 8 3HB ALA 8 11.051 -0.029 -2.163 58 H ALA 9 H ALA 9 12.054 2.111 -2.509 59 HA ALA 9 HA ALA 9 14.695 1.973 -3.159 60 1HB ALA 9 1HB ALA 9 12.796 2.843 -4.575 61 2HB ALA 9 2HB ALA 9 14.051 4.067 -4.543 62 3HB ALA 9 3HB ALA 9 12.661 4.246 -3.536 63 H GLU 10 H GLU 10 13.285 4.647 -1.271 64 HA GLU 10 HA GLU 10 15.790 5.936 -0.725 65 1HB GLU 10 1HB GLU 10 13.084 5.862 0.657 66 2HB GLU 10 2HB GLU 10 14.397 6.812 1.328 67 1HG GLU 10 1HG GLU 10 12.951 8.190 -0.210 68 2HG GLU 10 2HG GLU 10 14.597 8.108 -0.800 69 H GLU 11 H GLU 11 13.871 3.570 1.203 70 HA GLU 11 HA GLU 11 15.861 3.284 3.158 71 1HB GLU 11 1HB GLU 11 13.860 1.317 2.017 72 2HB GLU 11 2HB GLU 11 14.806 1.012 3.471 73 1HG GLU 11 1HG GLU 11 13.789 3.726 3.718 74 2HG GLU 11 2HG GLU 11 12.476 2.726 3.243 75 H VAL 12 H VAL 12 15.845 2.066 -0.222 76 HA VAL 12 HA VAL 12 18.014 0.205 0.118 77 HB VAL 12 HB VAL 12 16.118 0.800 -1.834 78 1HG1 VAL 12 1HG1 VAL 12 17.769 2.382 -2.970 79 2HG1 VAL 12 2HG1 VAL 12 17.512 0.964 -3.951 80 3HG1 VAL 12 3HG1 VAL 12 18.974 1.098 -2.993 81 1HG2 VAL 12 1HG2 VAL 12 16.882 -1.150 -2.989 82 2HG2 VAL 12 2HG2 VAL 12 16.858 -1.419 -1.249 83 3HG2 VAL 12 3HG2 VAL 12 18.385 -1.147 -2.099 84 H LYS 13 H LYS 13 17.665 3.589 -1.020 85 HA LYS 13 HA LYS 13 20.357 4.125 -1.739 86 1HB LYS 13 1HB LYS 13 17.969 5.742 -0.969 87 2HB LYS 13 2HB LYS 13 19.481 6.456 -0.543 88 1HG LYS 13 1HG LYS 13 20.196 6.147 -3.049 89 2HG LYS 13 2HG LYS 13 18.572 5.561 -3.339 90 1HD LYS 13 1HD LYS 13 18.333 7.803 -4.018 91 2HD LYS 13 2HD LYS 13 17.790 7.920 -2.373 92 1HE LYS 13 1HE LYS 13 19.215 9.814 -2.628 93 2HE LYS 13 2HE LYS 13 20.260 8.657 -1.830 94 1HZ LYS 13 1HZ LYS 13 20.681 9.804 -4.459 95 2HZ LYS 13 2HZ LYS 13 20.427 8.213 -4.636 96 3HZ LYS 13 3HZ LYS 13 21.673 8.762 -3.686 97 H HIS 14 H HIS 14 18.830 3.634 1.228 98 HA HIS 14 HA HIS 14 21.128 4.561 2.866 99 1HB HIS 14 1HB HIS 14 18.381 3.474 3.648 100 2HB HIS 14 2HB HIS 14 19.590 3.976 4.808 101 HD1 HIS 14 HD1 HIS 14 17.303 5.467 2.259 102 HD2 HIS 14 HD2 HIS 14 19.853 6.718 5.179 103 HE1 HIS 14 HE1 HIS 14 16.902 7.901 2.539 104 H LEU 15 H LEU 15 20.663 1.798 1.304 105 HA LEU 15 HA LEU 15 21.369 -0.196 3.365 106 1HB LEU 15 1HB LEU 15 21.299 -0.307 0.342 107 2HB LEU 15 2HB LEU 15 21.916 -1.677 1.252 108 HG LEU 15 HG LEU 15 19.193 -0.458 1.696 109 1HD1 LEU 15 1HD1 LEU 15 18.480 -2.523 0.366 110 2HD1 LEU 15 2HD1 LEU 15 20.183 -2.929 0.173 111 3HD1 LEU 15 3HD1 LEU 15 19.548 -1.478 -0.571 112 1HD2 LEU 15 1HD2 LEU 15 20.448 -3.151 2.498 113 2HD2 LEU 15 2HD2 LEU 15 18.803 -2.629 2.826 114 3HD2 LEU 15 3HD2 LEU 15 20.151 -1.819 3.605 115 H LYS 16 H LYS 16 23.107 1.831 3.534 116 HA LYS 16 HA LYS 16 25.409 2.340 2.806 117 1HB LYS 16 1HB LYS 16 26.401 2.152 5.037 118 2HB LYS 16 2HB LYS 16 24.725 2.607 5.168 119 1HG LYS 16 1HG LYS 16 24.000 0.514 5.981 120 2HG LYS 16 2HG LYS 16 25.382 -0.364 5.363 121 1HD LYS 16 1HD LYS 16 25.747 1.826 7.449 122 2HD LYS 16 2HD LYS 16 25.344 0.207 7.956 123 1HE LYS 16 1HE LYS 16 27.685 0.773 6.075 124 2HE LYS 16 2HE LYS 16 27.869 0.829 7.827 125 1HZ LYS 16 1HZ LYS 16 26.408 -1.458 7.195 126 2HZ LYS 16 2HZ LYS 16 27.993 -1.404 7.831 127 3HZ LYS 16 3HZ LYS 16 27.666 -1.493 6.132 128 H THR 17 H THR 17 24.973 -0.996 3.295 129 HA THR 17 HA THR 17 27.896 -1.402 2.623 130 HB THR 17 HB THR 17 25.807 -3.423 3.663 131 HG1 THR 17 HG1 THR 17 27.662 -3.458 5.192 132 1HG2 THR 17 1HG2 THR 17 27.832 -4.932 3.796 133 2HG2 THR 17 2HG2 THR 17 28.842 -3.615 3.193 134 3HG2 THR 17 3HG2 THR 17 27.676 -4.394 2.140 135 H LYS 18 H LYS 18 26.462 -0.362 1.001 136 HA LYS 18 HA LYS 18 24.910 -0.720 -1.170 137 1HB LYS 18 1HB LYS 18 26.437 0.177 -2.779 138 2HB LYS 18 2HB LYS 18 26.797 0.881 -1.236 139 1HG LYS 18 1HG LYS 18 28.457 -1.334 -2.564 140 2HG LYS 18 2HG LYS 18 28.833 0.342 -2.498 141 1HD LYS 18 1HD LYS 18 29.827 0.272 -0.529 142 2HD LYS 18 2HD LYS 18 28.472 -0.442 0.280 143 1HE LYS 18 1HE LYS 18 30.539 -1.982 -1.364 144 2HE LYS 18 2HE LYS 18 30.547 -1.846 0.392 145 1HZ LYS 18 1HZ LYS 18 27.961 -2.551 -0.400 146 2HZ LYS 18 2HZ LYS 18 29.030 -3.596 0.433 147 3HZ LYS 18 3HZ LYS 18 28.881 -3.535 -1.273 148 HA PRO 19 HA PRO 19 25.391 -5.172 -1.643 149 1HB PRO 19 1HB PRO 19 23.086 -4.572 -3.509 150 2HB PRO 19 2HB PRO 19 23.312 -5.893 -2.376 151 1HG PRO 19 1HG PRO 19 21.824 -3.828 -1.447 152 2HG PRO 19 2HG PRO 19 23.175 -4.297 -0.416 153 1HD PRO 19 1HD PRO 19 23.185 -2.118 -2.460 154 2HD PRO 19 2HD PRO 19 23.535 -2.072 -0.701 155 H ALA 20 H ALA 20 25.651 -6.697 -3.275 156 HA ALA 20 HA ALA 20 27.873 -6.054 -5.007 157 1HB ALA 20 1HB ALA 20 26.071 -8.537 -4.952 158 2HB ALA 20 2HB ALA 20 27.527 -8.297 -3.999 159 3HB ALA 20 3HB ALA 20 27.642 -8.453 -5.739 160 H ASP 21 H ASP 21 28.002 -6.071 -7.429 161 HA ASP 21 HA ASP 21 26.034 -4.549 -8.641 162 1HB ASP 21 1HB ASP 21 27.857 -6.685 -10.003 163 2HB ASP 21 2HB ASP 21 27.212 -5.236 -10.774 164 H GLU 22 H GLU 22 25.996 -8.217 -8.977 165 HA GLU 22 HA GLU 22 23.691 -8.182 -10.509 166 1HB GLU 22 1HB GLU 22 24.676 -10.124 -8.323 167 2HB GLU 22 2HB GLU 22 23.255 -10.520 -9.267 168 1HG GLU 22 1HG GLU 22 25.911 -9.846 -10.619 169 2HG GLU 22 2HG GLU 22 25.484 -11.495 -10.172 170 H GLU 23 H GLU 23 23.591 -8.311 -6.980 171 HA GLU 23 HA GLU 23 20.685 -8.161 -6.910 172 1HB GLU 23 1HB GLU 23 22.771 -7.353 -4.731 173 2HB GLU 23 2HB GLU 23 21.050 -7.412 -4.450 174 1HG GLU 23 1HG GLU 23 22.360 -9.901 -5.552 175 2HG GLU 23 2HG GLU 23 22.568 -9.542 -3.851 176 H MET 24 H MET 24 23.285 -5.606 -6.931 177 HA MET 24 HA MET 24 21.627 -3.317 -6.768 178 1HB MET 24 1HB MET 24 24.152 -3.909 -8.408 179 2HB MET 24 2HB MET 24 23.569 -2.305 -8.206 180 1HG MET 24 1HG MET 24 24.096 -3.970 -5.769 181 2HG MET 24 2HG MET 24 25.448 -3.298 -6.609 182 1HE MET 24 1HE MET 24 25.536 -1.104 -7.370 183 2HE MET 24 2HE MET 24 26.389 -0.786 -5.856 184 3HE MET 24 3HE MET 24 25.122 0.309 -6.448 185 H LEU 25 H LEU 25 22.709 -5.028 -9.686 186 HA LEU 25 HA LEU 25 21.346 -3.885 -11.699 187 1HB LEU 25 1HB LEU 25 22.345 -6.610 -11.017 188 2HB LEU 25 2HB LEU 25 21.501 -6.503 -12.481 189 HG LEU 25 HG LEU 25 23.967 -5.005 -11.614 190 1HD1 LEU 25 1HD1 LEU 25 24.364 -7.277 -12.229 191 2HD1 LEU 25 2HD1 LEU 25 24.987 -6.249 -13.484 192 3HD1 LEU 25 3HD1 LEU 25 23.483 -7.117 -13.730 193 1HD2 LEU 25 1HD2 LEU 25 22.527 -3.505 -13.209 194 2HD2 LEU 25 2HD2 LEU 25 22.446 -4.868 -14.303 195 3HD2 LEU 25 3HD2 LEU 25 23.955 -4.066 -14.006 196 H PHE 26 H PHE 26 20.091 -6.594 -9.808 197 HA PHE 26 HA PHE 26 17.540 -6.727 -11.169 198 1HB PHE 26 1HB PHE 26 18.200 -8.526 -9.599 199 2HB PHE 26 2HB PHE 26 18.169 -7.419 -8.240 200 HD1 PHE 26 HD1 PHE 26 16.119 -9.535 -10.409 201 HD2 PHE 26 HD2 PHE 26 15.923 -6.307 -7.617 202 HE1 PHE 26 HE1 PHE 26 13.703 -9.873 -10.140 203 HE2 PHE 26 HE2 PHE 26 13.530 -6.667 -7.366 204 HZ PHE 26 HZ PHE 26 12.408 -8.417 -8.598 205 H ILE 27 H ILE 27 18.352 -5.298 -8.038 206 HA ILE 27 HA ILE 27 16.025 -3.891 -7.417 207 HB ILE 27 HB ILE 27 18.965 -3.252 -7.014 208 1HG1 ILE 27 1HG1 ILE 27 17.711 -5.435 -6.099 209 2HG1 ILE 27 2HG1 ILE 27 18.875 -4.604 -5.138 210 1HG2 ILE 27 1HG2 ILE 27 18.210 -1.740 -5.168 211 2HG2 ILE 27 2HG2 ILE 27 16.552 -2.001 -5.655 212 3HG2 ILE 27 3HG2 ILE 27 17.657 -1.151 -6.716 213 1HD1 ILE 27 1HD1 ILE 27 15.795 -4.298 -5.012 214 2HD1 ILE 27 2HD1 ILE 27 16.902 -3.394 -4.009 215 3HD1 ILE 27 3HD1 ILE 27 16.789 -5.113 -3.816 216 H TYR 28 H TYR 28 18.767 -2.665 -9.202 217 HA TYR 28 HA TYR 28 17.841 -0.165 -9.952 218 1HB TYR 28 1HB TYR 28 20.184 -0.933 -10.226 219 2HB TYR 28 2HB TYR 28 19.660 -2.129 -11.378 220 HD1 TYR 28 HD1 TYR 28 18.974 -1.564 -13.642 221 HD2 TYR 28 HD2 TYR 28 20.139 1.429 -10.819 222 HE1 TYR 28 HE1 TYR 28 19.090 0.124 -15.439 223 HE2 TYR 28 HE2 TYR 28 20.260 3.045 -12.606 224 HH TYR 28 HH TYR 28 19.326 3.380 -14.783 225 H SER 29 H SER 29 17.824 -3.018 -12.076 226 HA SER 29 HA SER 29 16.256 -1.871 -14.168 227 1HB SER 29 1HB SER 29 15.478 -4.237 -14.698 228 2HB SER 29 2HB SER 29 17.208 -4.131 -14.537 229 HG SER 29 HG SER 29 17.003 -4.784 -12.383 230 H HIS 30 H HIS 30 15.146 -3.793 -11.412 231 HA HIS 30 HA HIS 30 12.396 -3.565 -12.026 232 1HB HIS 30 1HB HIS 30 14.070 -4.017 -9.538 233 2HB HIS 30 2HB HIS 30 12.304 -3.972 -9.414 234 HD1 HIS 30 HD1 HIS 30 14.781 -5.525 -11.910 235 HD2 HIS 30 HD2 HIS 30 11.233 -6.392 -10.039 236 HE1 HIS 30 HE1 HIS 30 14.076 -7.758 -12.697 237 H TYR 31 H TYR 31 14.339 -1.374 -9.892 238 HA TYR 31 HA TYR 31 12.363 0.531 -9.457 239 1HB TYR 31 1HB TYR 31 14.640 0.335 -8.454 240 2HB TYR 31 2HB TYR 31 15.361 0.811 -9.954 241 HD1 TYR 31 HD1 TYR 31 15.471 2.997 -10.604 242 HD2 TYR 31 HD2 TYR 31 13.210 1.989 -7.158 243 HE1 TYR 31 HE1 TYR 31 15.256 5.416 -10.050 244 HE2 TYR 31 HE2 TYR 31 12.984 4.377 -6.601 245 HH TYR 31 HH TYR 31 13.681 6.438 -7.070 246 H LYS 32 H LYS 32 14.530 0.245 -12.258 247 HA LYS 32 HA LYS 32 13.543 2.557 -13.659 248 1HB LYS 32 1HB LYS 32 14.765 -0.046 -14.625 249 2HB LYS 32 2HB LYS 32 14.488 1.312 -15.674 250 1HG LYS 32 1HG LYS 32 16.332 1.375 -13.211 251 2HG LYS 32 2HG LYS 32 16.868 1.014 -14.832 252 1HD LYS 32 1HD LYS 32 17.371 3.248 -14.839 253 2HD LYS 32 2HD LYS 32 15.729 3.356 -15.426 254 1HE LYS 32 1HE LYS 32 14.882 4.152 -13.444 255 2HE LYS 32 2HE LYS 32 16.217 3.479 -12.503 256 1HZ LYS 32 1HZ LYS 32 17.374 5.462 -12.749 257 2HZ LYS 32 2HZ LYS 32 16.119 6.128 -13.699 258 3HZ LYS 32 3HZ LYS 32 17.404 5.192 -14.265 259 H GLN 33 H GLN 33 12.575 -0.831 -14.015 260 HA GLN 33 HA GLN 33 10.415 -0.204 -15.908 261 1HB GLN 33 1HB GLN 33 9.413 -2.485 -15.159 262 2HB GLN 33 2HB GLN 33 10.907 -2.533 -16.086 263 1HG GLN 33 1HG GLN 33 12.165 -2.999 -14.106 264 2HG GLN 33 2HG GLN 33 10.799 -2.589 -13.076 265 1HE2 GLN 33 1HE2 GLN 33 10.663 -4.662 -11.982 266 2HE2 GLN 33 2HE2 GLN 33 10.326 -6.084 -12.853 267 H ALA 34 H ALA 34 10.609 -0.265 -12.560 268 HA ALA 34 HA ALA 34 7.778 -0.229 -11.859 269 1HB ALA 34 1HB ALA 34 8.611 0.268 -9.564 270 2HB ALA 34 2HB ALA 34 10.207 0.549 -10.229 271 3HB ALA 34 3HB ALA 34 9.527 -1.062 -10.263 272 H THR 35 H THR 35 10.242 2.290 -12.368 273 HA THR 35 HA THR 35 8.244 4.380 -11.630 274 HB THR 35 HB THR 35 10.223 5.994 -11.767 275 HG1 THR 35 HG1 THR 35 11.751 3.684 -12.045 276 1HG2 THR 35 1HG2 THR 35 9.920 4.663 -9.587 277 2HG2 THR 35 2HG2 THR 35 11.568 5.141 -9.950 278 3HG2 THR 35 3HG2 THR 35 11.050 3.485 -10.220 279 H VAL 36 H VAL 36 10.413 3.569 -14.335 280 HA VAL 36 HA VAL 36 9.062 5.627 -15.985 281 HB VAL 36 HB VAL 36 11.539 3.862 -16.697 282 1HG1 VAL 36 1HG1 VAL 36 10.374 6.325 -18.085 283 2HG1 VAL 36 2HG1 VAL 36 10.320 4.695 -18.734 284 3HG1 VAL 36 3HG1 VAL 36 11.856 5.493 -18.524 285 1HG2 VAL 36 1HG2 VAL 36 11.966 5.435 -14.807 286 2HG2 VAL 36 2HG2 VAL 36 11.357 6.757 -15.788 287 3HG2 VAL 36 3HG2 VAL 36 12.818 5.906 -16.266 288 H GLY 37 H GLY 37 9.855 2.353 -16.417 289 1HA GLY 37 1HA GLY 37 8.316 0.558 -17.293 290 2HA GLY 37 2HA GLY 37 7.468 1.811 -18.236 291 H ASP 38 H ASP 38 8.179 2.045 -20.391 292 HA ASP 38 HA ASP 38 10.227 0.428 -21.444 293 1HB ASP 38 1HB ASP 38 8.601 2.785 -22.486 294 2HB ASP 38 2HB ASP 38 9.699 1.899 -23.525 295 H ILE 39 H ILE 39 12.037 1.043 -22.570 296 HA ILE 39 HA ILE 39 13.623 3.240 -21.328 297 HB ILE 39 HB ILE 39 14.360 0.855 -20.947 298 1HG1 ILE 39 1HG1 ILE 39 16.339 2.186 -22.841 299 2HG1 ILE 39 2HG1 ILE 39 16.091 2.757 -21.203 300 1HG2 ILE 39 1HG2 ILE 39 14.704 0.718 -23.983 301 2HG2 ILE 39 2HG2 ILE 39 13.494 -0.127 -23.030 302 3HG2 ILE 39 3HG2 ILE 39 15.172 -0.511 -22.847 303 1HD1 ILE 39 1HD1 ILE 39 16.630 0.341 -20.428 304 2HD1 ILE 39 2HD1 ILE 39 17.965 1.102 -21.240 305 3HD1 ILE 39 3HD1 ILE 39 16.993 -0.058 -22.091 306 H ASN 40 H ASN 40 13.892 5.017 -22.786 307 HA ASN 40 HA ASN 40 13.751 4.333 -25.701 308 1HB ASN 40 1HB ASN 40 12.499 6.735 -24.278 309 2HB ASN 40 2HB ASN 40 12.377 6.346 -25.986 310 1HD2 ASN 40 1HD2 ASN 40 10.656 6.029 -23.115 311 2HD2 ASN 40 2HD2 ASN 40 9.757 4.662 -23.591 312 H THR 41 H THR 41 16.039 4.736 -23.880 313 HA THR 41 HA THR 41 17.341 7.132 -25.094 314 HB THR 41 HB THR 41 19.038 6.848 -23.210 315 HG1 THR 41 HG1 THR 41 18.151 4.971 -21.830 316 1HG2 THR 41 1HG2 THR 41 16.667 7.746 -22.401 317 2HG2 THR 41 2HG2 THR 41 17.601 6.922 -21.169 318 3HG2 THR 41 3HG2 THR 41 16.291 6.090 -21.982 319 H GLU 42 H GLU 42 19.995 6.351 -25.265 320 HA GLU 42 HA GLU 42 19.764 3.946 -27.046 321 1HB GLU 42 1HB GLU 42 21.314 4.966 -28.496 322 2HB GLU 42 2HB GLU 42 20.411 6.347 -27.916 323 1HG GLU 42 1HG GLU 42 22.209 6.520 -26.026 324 2HG GLU 42 2HG GLU 42 23.068 5.315 -26.967 325 H ARG 43 H ARG 43 21.039 2.331 -26.821 326 HA ARG 43 HA ARG 43 22.196 1.456 -24.481 327 1HB ARG 43 1HB ARG 43 21.355 0.132 -26.340 328 2HB ARG 43 2HB ARG 43 22.738 0.602 -27.317 329 1HG ARG 43 1HG ARG 43 24.241 -0.498 -25.583 330 2HG ARG 43 2HG ARG 43 22.779 -1.044 -24.753 331 1HD ARG 43 1HD ARG 43 22.003 -2.142 -26.824 332 2HD ARG 43 2HD ARG 43 23.484 -1.624 -27.659 333 HE ARG 43 HE ARG 43 24.707 -2.968 -25.780 334 1HH1 ARG 43 1HH1 ARG 43 23.730 -4.564 -27.925 335 2HH1 ARG 43 2HH1 ARG 43 22.839 -5.837 -27.122 336 1HH2 ARG 43 1HH2 ARG 43 22.764 -3.843 -24.266 337 2HH2 ARG 43 2HH2 ARG 43 22.218 -5.367 -24.770 338 HA PRO 44 HA PRO 44 25.968 4.017 -24.399 339 1HB PRO 44 1HB PRO 44 26.277 2.222 -21.940 340 2HB PRO 44 2HB PRO 44 26.683 3.932 -22.135 341 1HG PRO 44 1HG PRO 44 24.323 3.439 -21.032 342 2HG PRO 44 2HG PRO 44 24.313 4.557 -22.407 343 1HD PRO 44 1HD PRO 44 23.706 1.555 -22.496 344 2HD PRO 44 2HD PRO 44 22.727 2.918 -23.100 345 H GLY 45 H GLY 45 28.249 3.808 -24.065 346 1HA GLY 45 1HA GLY 45 29.462 1.362 -25.363 347 2HA GLY 45 2HA GLY 45 29.990 2.987 -25.770 348 H MET 46 H MET 46 30.968 4.200 -24.106 349 HA MET 46 HA MET 46 33.249 3.571 -22.988 350 1HB MET 46 1HB MET 46 31.034 5.214 -21.683 351 2HB MET 46 2HB MET 46 32.681 5.215 -21.072 352 1HG MET 46 1HG MET 46 33.553 6.158 -22.983 353 2HG MET 46 2HG MET 46 32.228 5.707 -24.013 354 1HE MET 46 1HE MET 46 30.152 8.664 -24.310 355 2HE MET 46 2HE MET 46 29.683 7.066 -23.738 356 3HE MET 46 3HE MET 46 30.884 7.255 -25.035 357 H LEU 47 H LEU 47 30.743 3.255 -20.507 358 HA LEU 47 HA LEU 47 32.538 1.458 -18.994 359 1HB LEU 47 1HB LEU 47 29.765 2.613 -18.492 360 2HB LEU 47 2HB LEU 47 30.398 1.392 -17.416 361 HG LEU 47 HG LEU 47 30.707 3.833 -16.699 362 1HD1 LEU 47 1HD1 LEU 47 33.179 2.067 -16.905 363 2HD1 LEU 47 2HD1 LEU 47 31.999 1.986 -15.607 364 3HD1 LEU 47 3HD1 LEU 47 32.998 3.409 -15.791 365 1HD2 LEU 47 1HD2 LEU 47 32.926 3.754 -18.801 366 2HD2 LEU 47 2HD2 LEU 47 32.660 5.030 -17.643 367 3HD2 LEU 47 3HD2 LEU 47 31.486 4.747 -18.909 368 H ASP 48 H ASP 48 29.311 0.421 -18.749 369 HA ASP 48 HA ASP 48 28.333 -1.397 -20.190 370 1HB ASP 48 1HB ASP 48 30.714 -2.319 -20.904 371 2HB ASP 48 2HB ASP 48 30.871 -3.053 -19.340 372 H PHE 49 H PHE 49 30.201 -2.988 -17.709 373 HA PHE 49 HA PHE 49 28.063 -4.096 -16.297 374 1HB PHE 49 1HB PHE 49 29.701 -4.700 -14.688 375 2HB PHE 49 2HB PHE 49 30.779 -4.208 -15.968 376 HD1 PHE 49 HD1 PHE 49 29.530 -3.434 -12.640 377 HD2 PHE 49 HD2 PHE 49 31.846 -1.955 -15.898 378 HE1 PHE 49 HE1 PHE 49 30.492 -1.741 -11.174 379 HE2 PHE 49 HE2 PHE 49 32.801 -0.231 -14.447 380 HZ PHE 49 HZ PHE 49 32.141 -0.127 -12.075 381 H LYS 50 H LYS 50 29.518 -1.071 -15.962 382 HA LYS 50 HA LYS 50 27.508 -0.108 -14.033 383 1HB LYS 50 1HB LYS 50 29.919 0.516 -13.701 384 2HB LYS 50 2HB LYS 50 29.931 1.323 -15.243 385 1HG LYS 50 1HG LYS 50 28.469 3.058 -14.571 386 2HG LYS 50 2HG LYS 50 27.849 2.197 -13.202 387 1HD LYS 50 1HD LYS 50 30.528 3.637 -13.574 388 2HD LYS 50 2HD LYS 50 29.309 3.978 -12.368 389 1HE LYS 50 1HE LYS 50 31.205 1.631 -12.460 390 2HE LYS 50 2HE LYS 50 31.076 2.858 -11.217 391 1HZ LYS 50 1HZ LYS 50 29.565 1.577 -10.177 392 2HZ LYS 50 2HZ LYS 50 29.569 0.446 -11.440 393 3HZ LYS 50 3HZ LYS 50 28.536 1.796 -11.508 394 H GLY 51 H GLY 51 27.919 0.021 -17.366 395 1HA GLY 51 1HA GLY 51 25.843 2.136 -17.658 396 2HA GLY 51 2HA GLY 51 27.136 1.872 -18.819 397 H LYS 52 H LYS 52 26.966 -0.102 -20.260 398 HA LYS 52 HA LYS 52 24.498 -0.605 -21.353 399 1HB LYS 52 1HB LYS 52 26.769 -2.426 -20.862 400 2HB LYS 52 2HB LYS 52 25.482 -2.784 -22.030 401 1HG LYS 52 1HG LYS 52 26.137 -1.072 -23.505 402 2HG LYS 52 2HG LYS 52 26.854 -0.084 -22.265 403 1HD LYS 52 1HD LYS 52 28.592 -1.009 -23.621 404 2HD LYS 52 2HD LYS 52 28.691 -1.672 -22.033 405 1HE LYS 52 1HE LYS 52 27.548 -3.098 -24.501 406 2HE LYS 52 2HE LYS 52 29.124 -3.365 -23.788 407 1HZ LYS 52 1HZ LYS 52 28.296 -4.811 -22.400 408 2HZ LYS 52 2HZ LYS 52 26.730 -4.692 -23.042 409 3HZ LYS 52 3HZ LYS 52 27.263 -3.783 -21.696 410 H ALA 53 H ALA 53 25.732 -2.240 -18.649 411 HA ALA 53 HA ALA 53 23.848 -4.336 -18.400 412 1HB ALA 53 1HB ALA 53 25.335 -2.788 -16.164 413 2HB ALA 53 2HB ALA 53 25.986 -4.171 -17.024 414 3HB ALA 53 3HB ALA 53 24.636 -4.377 -15.930 415 H LYS 54 H LYS 54 23.923 -1.064 -16.972 416 HA LYS 54 HA LYS 54 21.341 -1.181 -15.758 417 1HB LYS 54 1HB LYS 54 23.038 1.108 -16.800 418 2HB LYS 54 2HB LYS 54 21.582 1.335 -15.844 419 1HG LYS 54 1HG LYS 54 22.548 0.034 -13.989 420 2HG LYS 54 2HG LYS 54 23.955 -0.385 -14.938 421 1HD LYS 54 1HD LYS 54 24.740 1.340 -13.635 422 2HD LYS 54 2HD LYS 54 24.378 2.069 -15.187 423 1HE LYS 54 1HE LYS 54 22.309 2.156 -12.963 424 2HE LYS 54 2HE LYS 54 23.565 3.370 -12.977 425 1HZ LYS 54 1HZ LYS 54 22.268 4.501 -14.529 426 2HZ LYS 54 2HZ LYS 54 21.251 3.308 -14.679 427 3HZ LYS 54 3HZ LYS 54 22.638 3.192 -15.593 428 H TRP 55 H TRP 55 22.172 -0.986 -19.241 429 HA TRP 55 HA TRP 55 19.548 0.174 -19.783 430 1HB TRP 55 1HB TRP 55 22.036 0.524 -20.940 431 2HB TRP 55 2HB TRP 55 21.579 -0.911 -21.837 432 HD1 TRP 55 HD1 TRP 55 20.395 2.731 -21.164 433 HE1 TRP 55 HE1 TRP 55 18.866 3.340 -23.063 434 HE3 TRP 55 HE3 TRP 55 20.206 -1.693 -23.519 435 HZ2 TRP 55 HZ2 TRP 55 17.678 2.110 -25.437 436 HZ3 TRP 55 HZ3 TRP 55 18.909 -1.995 -25.608 437 HH2 TRP 55 HH2 TRP 55 17.633 -0.107 -26.566 438 H ASP 56 H ASP 56 21.488 -2.750 -21.049 439 HA ASP 56 HA ASP 56 19.682 -4.426 -21.644 440 1HB ASP 56 1HB ASP 56 22.268 -4.462 -20.109 441 2HB ASP 56 2HB ASP 56 21.635 -6.004 -20.420 442 H ALA 57 H ALA 57 20.791 -4.569 -18.327 443 HA ALA 57 HA ALA 57 19.071 -6.321 -17.143 444 1HB ALA 57 1HB ALA 57 19.488 -5.056 -14.997 445 2HB ALA 57 2HB ALA 57 19.962 -3.650 -15.950 446 3HB ALA 57 3HB ALA 57 20.932 -5.115 -16.008 447 H TRP 58 H TRP 58 18.229 -3.049 -17.968 448 HA TRP 58 HA TRP 58 15.422 -3.350 -16.953 449 1HB TRP 58 1HB TRP 58 16.412 -1.276 -16.179 450 2HB TRP 58 2HB TRP 58 17.046 -0.917 -17.778 451 HD1 TRP 58 HD1 TRP 58 13.381 -2.124 -17.239 452 HE1 TRP 58 HE1 TRP 58 11.919 -0.111 -18.062 453 HE3 TRP 58 HE3 TRP 58 16.853 1.413 -17.914 454 HZ2 TRP 58 HZ2 TRP 58 12.123 2.518 -18.803 455 HZ3 TRP 58 HZ3 TRP 58 16.230 3.715 -18.707 456 HH2 TRP 58 HH2 TRP 58 13.887 4.276 -19.153 457 H ASN 59 H ASN 59 17.168 -3.004 -19.822 458 HA ASN 59 HA ASN 59 15.000 -2.351 -21.710 459 1HB ASN 59 1HB ASN 59 17.414 -2.178 -22.517 460 2HB ASN 59 2HB ASN 59 17.562 -3.925 -22.356 461 1HD2 ASN 59 1HD2 ASN 59 16.801 -5.170 -24.057 462 2HD2 ASN 59 2HD2 ASN 59 15.910 -4.545 -25.388 463 H GLU 60 H GLU 60 16.497 -5.287 -20.541 464 HA GLU 60 HA GLU 60 15.014 -7.182 -21.977 465 1HB GLU 60 1HB GLU 60 16.654 -7.086 -19.444 466 2HB GLU 60 2HB GLU 60 15.724 -8.537 -19.742 467 1HG GLU 60 1HG GLU 60 17.966 -8.876 -20.702 468 2HG GLU 60 2HG GLU 60 16.834 -8.725 -22.026 469 H LEU 61 H LEU 61 14.059 -5.123 -19.513 470 HA LEU 61 HA LEU 61 11.530 -6.671 -19.008 471 1HB LEU 61 1HB LEU 61 12.317 -4.455 -17.114 472 2HB LEU 61 2HB LEU 61 11.452 -5.943 -16.845 473 HG LEU 61 HG LEU 61 14.469 -5.750 -17.175 474 1HD1 LEU 61 1HD1 LEU 61 13.474 -4.724 -15.081 475 2HD1 LEU 61 2HD1 LEU 61 14.421 -6.168 -14.720 476 3HD1 LEU 61 3HD1 LEU 61 12.675 -6.249 -14.761 477 1HD2 LEU 61 1HD2 LEU 61 14.428 -8.076 -16.400 478 2HD2 LEU 61 2HD2 LEU 61 13.506 -7.964 -17.884 479 3HD2 LEU 61 3HD2 LEU 61 12.668 -8.064 -16.344 480 H LYS 62 H LYS 62 12.702 -4.212 -20.719 481 HA LYS 62 HA LYS 62 11.450 -1.878 -20.486 482 1HB LYS 62 1HB LYS 62 12.890 -2.591 -22.394 483 2HB LYS 62 2HB LYS 62 11.625 -3.642 -22.987 484 1HG LYS 62 1HG LYS 62 10.203 -1.543 -23.247 485 2HG LYS 62 2HG LYS 62 11.548 -0.645 -22.693 486 1HD LYS 62 1HD LYS 62 12.775 -0.871 -24.735 487 2HD LYS 62 2HD LYS 62 12.120 -2.459 -25.043 488 1HE LYS 62 1HE LYS 62 10.561 0.162 -25.214 489 2HE LYS 62 2HE LYS 62 11.172 -0.752 -26.600 490 1HZ LYS 62 1HZ LYS 62 9.300 -2.067 -26.378 491 2HZ LYS 62 2HZ LYS 62 8.942 -1.213 -24.915 492 3HZ LYS 62 3HZ LYS 62 9.930 -2.556 -24.861 493 H GLY 63 H GLY 63 9.248 -4.529 -21.107 494 1HA GLY 63 1HA GLY 63 7.169 -2.383 -21.283 495 2HA GLY 63 2HA GLY 63 7.033 -3.936 -22.083 496 H THR 64 H THR 64 8.288 -3.967 -18.917 497 HA THR 64 HA THR 64 6.116 -5.576 -17.905 498 HB THR 64 HB THR 64 8.220 -4.058 -16.270 499 HG1 THR 64 HG1 THR 64 9.459 -5.713 -16.550 500 1HG2 THR 64 1HG2 THR 64 6.824 -6.733 -15.731 501 2HG2 THR 64 2HG2 THR 64 6.408 -5.262 -14.848 502 3HG2 THR 64 3HG2 THR 64 8.005 -5.953 -14.703 503 H SER 65 H SER 65 4.871 -5.067 -15.977 504 HA SER 65 HA SER 65 3.684 -2.379 -16.145 505 1HB SER 65 1HB SER 65 2.157 -3.694 -14.357 506 2HB SER 65 2HB SER 65 1.899 -3.932 -16.093 507 HG SER 65 HG SER 65 2.694 -5.747 -14.295 508 H LYS 66 H LYS 66 4.485 -0.956 -14.874 509 HA LYS 66 HA LYS 66 6.449 -0.946 -13.105 510 1HB LYS 66 1HB LYS 66 3.828 0.579 -12.838 511 2HB LYS 66 2HB LYS 66 5.320 1.087 -12.066 512 1HG LYS 66 1HG LYS 66 6.078 2.063 -13.958 513 2HG LYS 66 2HG LYS 66 5.882 0.607 -14.880 514 1HD LYS 66 1HD LYS 66 4.506 2.355 -15.874 515 2HD LYS 66 2HD LYS 66 3.415 1.159 -15.182 516 1HE LYS 66 1HE LYS 66 3.009 2.521 -13.211 517 2HE LYS 66 2HE LYS 66 4.277 3.648 -13.676 518 1HZ LYS 66 1HZ LYS 66 2.469 3.306 -15.844 519 2HZ LYS 66 2HZ LYS 66 2.829 4.713 -14.987 520 3HZ LYS 66 3HZ LYS 66 1.565 3.702 -14.457 521 H GLU 67 H GLU 67 3.279 -1.121 -11.999 522 HA GLU 67 HA GLU 67 3.452 -1.436 -9.344 523 1HB GLU 67 1HB GLU 67 1.653 -2.567 -11.524 524 2HB GLU 67 2HB GLU 67 1.190 -2.688 -9.875 525 1HG GLU 67 1HG GLU 67 1.369 -0.052 -9.715 526 2HG GLU 67 2HG GLU 67 1.895 -0.003 -11.377 527 H ASP 68 H ASP 68 3.870 -4.126 -11.458 528 HA ASP 68 HA ASP 68 4.095 -6.112 -9.343 529 1HB ASP 68 1HB ASP 68 4.533 -5.932 -12.326 530 2HB ASP 68 2HB ASP 68 4.862 -7.397 -11.514 531 H ALA 69 H ALA 69 6.064 -4.266 -11.360 532 HA ALA 69 HA ALA 69 8.662 -5.370 -10.685 533 1HB ALA 69 1HB ALA 69 8.316 -3.725 -12.586 534 2HB ALA 69 2HB ALA 69 9.592 -3.170 -11.499 535 3HB ALA 69 3HB ALA 69 8.004 -2.455 -11.439 536 H MET 70 H MET 70 6.555 -2.922 -9.360 537 HA MET 70 HA MET 70 8.288 -2.226 -7.136 538 1HB MET 70 1HB MET 70 5.184 -2.341 -7.132 539 2HB MET 70 2HB MET 70 6.110 -1.410 -5.982 540 1HG MET 70 1HG MET 70 6.958 -0.057 -7.986 541 2HG MET 70 2HG MET 70 5.692 -0.820 -8.916 542 1HE MET 70 1HE MET 70 4.936 2.560 -8.883 543 2HE MET 70 2HE MET 70 6.535 2.005 -8.409 544 3HE MET 70 3HE MET 70 5.614 2.989 -7.290 545 H LYS 71 H LYS 71 5.631 -4.572 -7.177 546 HA LYS 71 HA LYS 71 5.961 -5.616 -4.634 547 1HB LYS 71 1HB LYS 71 5.556 -7.178 -7.230 548 2HB LYS 71 2HB LYS 71 5.226 -7.833 -5.633 549 1HG LYS 71 1HG LYS 71 3.455 -6.168 -5.301 550 2HG LYS 71 2HG LYS 71 3.880 -5.327 -6.783 551 1HD LYS 71 1HD LYS 71 3.525 -7.718 -7.909 552 2HD LYS 71 2HD LYS 71 2.653 -8.096 -6.436 553 1HE LYS 71 1HE LYS 71 1.144 -6.165 -6.876 554 2HE LYS 71 2HE LYS 71 2.063 -5.791 -8.337 555 1HZ LYS 71 1HZ LYS 71 1.045 -7.401 -9.446 556 2HZ LYS 71 2HZ LYS 71 0.011 -7.699 -8.112 557 3HZ LYS 71 3HZ LYS 71 1.477 -8.545 -8.334 558 H ALA 72 H ALA 72 7.649 -6.906 -7.425 559 HA ALA 72 HA ALA 72 9.513 -8.540 -5.999 560 1HB ALA 72 1HB ALA 72 10.613 -8.644 -8.222 561 2HB ALA 72 2HB ALA 72 9.768 -7.173 -8.749 562 3HB ALA 72 3HB ALA 72 8.893 -8.655 -8.428 563 H TYR 73 H TYR 73 10.005 -5.191 -7.260 564 HA TYR 73 HA TYR 73 12.590 -4.655 -6.475 565 1HB TYR 73 1HB TYR 73 11.209 -3.200 -7.764 566 2HB TYR 73 2HB TYR 73 10.159 -2.917 -6.398 567 HD1 TYR 73 HD1 TYR 73 10.748 -1.253 -4.771 568 HD2 TYR 73 HD2 TYR 73 13.660 -2.572 -7.591 569 HE1 TYR 73 HE1 TYR 73 12.250 0.566 -4.094 570 HE2 TYR 73 HE2 TYR 73 15.145 -0.786 -6.879 571 HH TYR 73 HH TYR 73 15.173 1.244 -5.844 572 H ILE 74 H ILE 74 9.688 -4.100 -4.614 573 HA ILE 74 HA ILE 74 10.947 -3.339 -2.176 574 HB ILE 74 HB ILE 74 8.160 -4.540 -2.636 575 1HG1 ILE 74 1HG1 ILE 74 9.040 -1.655 -2.458 576 2HG1 ILE 74 2HG1 ILE 74 8.660 -2.453 -3.971 577 1HG2 ILE 74 1HG2 ILE 74 9.013 -4.492 -0.191 578 2HG2 ILE 74 2HG2 ILE 74 7.708 -3.354 -0.405 579 3HG2 ILE 74 3HG2 ILE 74 9.364 -2.785 -0.372 580 1HD1 ILE 74 1HD1 ILE 74 6.373 -3.005 -3.117 581 2HD1 ILE 74 2HD1 ILE 74 6.614 -1.270 -3.177 582 3HD1 ILE 74 3HD1 ILE 74 6.706 -2.099 -1.658 583 H ASP 75 H ASP 75 9.801 -6.508 -3.313 584 HA ASP 75 HA ASP 75 10.436 -7.897 -0.820 585 1HB ASP 75 1HB ASP 75 9.305 -8.483 -3.427 586 2HB ASP 75 2HB ASP 75 10.557 -9.624 -3.039 587 H LYS 76 H LYS 76 12.170 -6.754 -3.443 588 HA LYS 76 HA LYS 76 14.516 -8.513 -3.017 589 1HB LYS 76 1HB LYS 76 13.803 -7.518 -5.239 590 2HB LYS 76 2HB LYS 76 14.325 -5.945 -4.698 591 1HG LYS 76 1HG LYS 76 16.225 -6.794 -5.739 592 2HG LYS 76 2HG LYS 76 16.543 -7.056 -4.048 593 1HD LYS 76 1HD LYS 76 15.826 -9.428 -4.229 594 2HD LYS 76 2HD LYS 76 15.454 -9.189 -5.934 595 1HE LYS 76 1HE LYS 76 17.695 -8.764 -6.479 596 2HE LYS 76 2HE LYS 76 18.168 -8.490 -4.805 597 1HZ LYS 76 1HZ LYS 76 16.944 -11.049 -5.061 598 2HZ LYS 76 2HZ LYS 76 18.482 -10.576 -4.517 599 3HZ LYS 76 3HZ LYS 76 18.325 -10.924 -6.110 600 H VAL 77 H VAL 77 13.618 -5.126 -2.562 601 HA VAL 77 HA VAL 77 15.815 -4.170 -1.009 602 HB VAL 77 HB VAL 77 12.846 -3.562 -0.541 603 1HG1 VAL 77 1HG1 VAL 77 15.399 -2.047 0.319 604 2HG1 VAL 77 2HG1 VAL 77 14.402 -2.956 1.434 605 3HG1 VAL 77 3HG1 VAL 77 13.775 -1.527 0.640 606 1HG2 VAL 77 1HG2 VAL 77 15.100 -2.218 -2.131 607 2HG2 VAL 77 2HG2 VAL 77 13.518 -1.515 -2.005 608 3HG2 VAL 77 3HG2 VAL 77 13.744 -3.022 -2.859 609 H GLU 78 H GLU 78 12.855 -5.844 0.158 610 HA GLU 78 HA GLU 78 13.734 -6.197 2.793 611 1HB GLU 78 1HB GLU 78 11.583 -7.145 1.202 612 2HB GLU 78 2HB GLU 78 12.250 -8.600 1.880 613 1HG GLU 78 1HG GLU 78 11.431 -6.033 3.473 614 2HG GLU 78 2HG GLU 78 10.525 -7.527 3.432 615 H GLU 79 H GLU 79 14.338 -8.496 0.000 616 HA GLU 79 HA GLU 79 16.003 -10.263 1.402 617 1HB GLU 79 1HB GLU 79 15.723 -9.356 -1.455 618 2HB GLU 79 2HB GLU 79 17.189 -10.220 -1.095 619 1HG GLU 79 1HG GLU 79 14.355 -11.226 -0.508 620 2HG GLU 79 2HG GLU 79 15.376 -11.842 -1.799 621 H LEU 80 H LEU 80 16.969 -7.280 -0.192 622 HA LEU 80 HA LEU 80 19.771 -7.418 0.330 623 1HB LEU 80 1HB LEU 80 17.890 -5.007 0.113 624 2HB LEU 80 2HB LEU 80 19.622 -4.852 0.259 625 HG LEU 80 HG LEU 80 18.123 -6.147 -2.050 626 1HD1 LEU 80 1HD1 LEU 80 19.083 -4.205 -3.273 627 2HD1 LEU 80 2HD1 LEU 80 19.856 -3.628 -1.829 628 3HD1 LEU 80 3HD1 LEU 80 18.109 -3.635 -1.934 629 1HD2 LEU 80 1HD2 LEU 80 20.398 -6.227 -3.073 630 2HD2 LEU 80 2HD2 LEU 80 20.304 -7.295 -1.696 631 3HD2 LEU 80 3HD2 LEU 80 21.094 -5.748 -1.545 632 H LYS 81 H LYS 81 17.133 -6.003 2.112 633 HA LYS 81 HA LYS 81 18.491 -4.999 4.365 634 1HB LYS 81 1HB LYS 81 16.201 -4.362 3.961 635 2HB LYS 81 2HB LYS 81 15.695 -5.989 3.674 636 1HG LYS 81 1HG LYS 81 15.904 -6.520 6.107 637 2HG LYS 81 2HG LYS 81 16.413 -4.865 6.393 638 1HD LYS 81 1HD LYS 81 14.211 -4.031 5.524 639 2HD LYS 81 2HD LYS 81 13.798 -5.624 4.949 640 1HE LYS 81 1HE LYS 81 12.564 -5.100 7.023 641 2HE LYS 81 2HE LYS 81 13.642 -6.465 7.287 642 1HZ LYS 81 1HZ LYS 81 14.908 -5.164 8.764 643 2HZ LYS 81 2HZ LYS 81 13.776 -3.900 8.621 644 3HZ LYS 81 3HZ LYS 81 15.070 -4.046 7.654 645 H LYS 82 H LYS 82 16.914 -8.172 4.008 646 HA LYS 82 HA LYS 82 17.754 -9.242 6.430 647 1HB LYS 82 1HB LYS 82 17.494 -10.667 3.751 648 2HB LYS 82 2HB LYS 82 17.645 -11.516 5.282 649 1HG LYS 82 1HG LYS 82 15.541 -10.373 6.032 650 2HG LYS 82 2HG LYS 82 15.406 -9.616 4.461 651 1HD LYS 82 1HD LYS 82 15.587 -12.029 3.497 652 2HD LYS 82 2HD LYS 82 15.307 -12.591 5.130 653 1HE LYS 82 1HE LYS 82 13.085 -12.301 4.847 654 2HE LYS 82 2HE LYS 82 13.335 -10.590 4.656 655 1HZ LYS 82 1HZ LYS 82 14.122 -12.025 2.281 656 2HZ LYS 82 2HZ LYS 82 12.969 -10.780 2.443 657 3HZ LYS 82 3HZ LYS 82 12.540 -12.382 2.682 658 H LYS 83 H LYS 83 19.430 -9.051 3.503 659 HA LYS 83 HA LYS 83 21.815 -10.516 4.302 660 1HB LYS 83 1HB LYS 83 21.273 -8.632 1.965 661 2HB LYS 83 2HB LYS 83 22.717 -9.613 2.116 662 1HG LYS 83 1HG LYS 83 21.506 -11.638 1.919 663 2HG LYS 83 2HG LYS 83 19.969 -10.869 2.269 664 1HD LYS 83 1HD LYS 83 19.946 -9.711 0.113 665 2HD LYS 83 2HD LYS 83 21.574 -10.216 -0.274 666 1HE LYS 83 1HE LYS 83 20.922 -12.480 -0.498 667 2HE LYS 83 2HE LYS 83 19.456 -12.260 0.434 668 1HZ LYS 83 1HZ LYS 83 19.361 -10.515 -1.863 669 2HZ LYS 83 2HZ LYS 83 18.377 -11.860 -1.370 670 3HZ LYS 83 3HZ LYS 83 19.769 -12.042 -2.359 671 H TYR 84 H TYR 84 21.212 -7.078 3.978 672 HA TYR 84 HA TYR 84 23.873 -6.442 5.003 673 1HB TYR 84 1HB TYR 84 21.659 -4.871 3.646 674 2HB TYR 84 2HB TYR 84 23.190 -4.128 4.129 675 HD1 TYR 84 HD1 TYR 84 21.641 -5.724 1.335 676 HD2 TYR 84 HD2 TYR 84 25.298 -5.712 3.549 677 HE1 TYR 84 HE1 TYR 84 22.800 -6.734 -0.537 678 HE2 TYR 84 HE2 TYR 84 26.428 -6.713 1.615 679 HH TYR 84 HH TYR 84 26.023 -7.847 -0.311 680 H GLY 85 H GLY 85 20.707 -6.231 6.544 681 1HA GLY 85 1HA GLY 85 20.880 -5.985 8.986 682 2HA GLY 85 2HA GLY 85 22.170 -4.852 8.768 683 H ILE 86 H ILE 86 19.022 -4.477 7.139 684 HA ILE 86 HA ILE 86 18.542 -2.208 9.050 685 HB ILE 86 HB ILE 86 19.352 -1.397 6.958 686 1HG1 ILE 86 1HG1 ILE 86 16.346 -1.113 6.651 687 2HG1 ILE 86 2HG1 ILE 86 17.212 -0.264 7.912 688 1HG2 ILE 86 1HG2 ILE 86 19.068 -3.282 5.510 689 2HG2 ILE 86 2HG2 ILE 86 18.332 -1.876 4.767 690 3HG2 ILE 86 3HG2 ILE 86 17.302 -3.097 5.518 691 1HD1 ILE 86 1HD1 ILE 86 18.589 0.878 6.137 692 2HD1 ILE 86 2HD1 ILE 86 16.867 1.199 5.925 693 3HD1 ILE 86 3HD1 ILE 86 17.679 0.060 4.877 694 AH2 COA 1 AH2 COA 1 17.176 1.010 -8.164 695 AH61 COA 1 AH61 COA 1 16.374 4.234 -4.107 696 AH62 COA 1 AH62 COA 1 15.637 2.678 -4.486 697 AH8 COA 1 AH8 COA 1 19.109 7.075 -7.340 698 AH1* COA 1 AH1* COA 1 19.179 4.363 -10.211 699 AH2* COA 1 AH2* COA 1 19.539 7.329 -9.563 700 AHO2 COA 1 AHO2 COA 1 18.641 6.994 -11.891 701 AH3* COA 1 AH3* COA 1 21.069 7.328 -11.439 702 AH4* COA 1 AH4* COA 1 22.446 5.131 -10.568 703 AH51 COA 1 AH51 COA 1 22.944 7.427 -9.432 704 AH52 COA 1 AH52 COA 1 23.066 6.038 -8.394 705 1H12 COA 1 1H12 COA 1 25.070 8.971 -4.332 706 2H12 COA 1 2H12 COA 1 24.166 8.158 -3.098 707 1H13 COA 1 1H13 COA 1 25.204 6.138 -6.753 708 2H13 COA 1 2H13 COA 1 23.999 7.382 -6.778 709 3H13 COA 1 3H13 COA 1 25.671 7.812 -6.488 710 1H14 COA 1 1H14 COA 1 23.322 5.847 -3.532 711 2H14 COA 1 2H14 COA 1 22.620 6.392 -5.045 712 3H14 COA 1 3H14 COA 1 23.692 5.014 -5.035 713 H10 COA 1 H10 COA 1 26.832 7.055 -4.351 714 HO1 COA 1 HO1 COA 1 25.536 4.989 -5.389 715 HN8 COA 1 HN8 COA 1 25.496 4.397 -3.173 716 1H7 COA 1 1H7 COA 1 24.929 5.049 -0.371 717 2H7 COA 1 2H7 COA 1 24.918 3.421 -1.062 718 1H6 COA 1 1H6 COA 1 26.885 3.621 0.463 719 2H6 COA 1 2H6 COA 1 27.347 5.125 -0.333 720 HN4 COA 1 HN4 COA 1 27.485 4.567 -2.933 721 1H3 COA 1 1H3 COA 1 29.714 3.793 -3.857 722 2H3 COA 1 2H3 COA 1 29.284 2.210 -3.226 723 1H2 COA 1 1H2 COA 1 28.752 2.480 -5.645 724 2H2 COA 1 2H2 COA 1 27.716 3.808 -5.263 725 1H2 PLY 2 1H2 PLY 2 24.837 2.393 -2.858 726 2H2 PLY 2 2H2 PLY 2 23.678 3.440 -3.659 727 1H3 PLY 2 1H3 PLY 2 23.753 0.389 -3.891 728 2H3 PLY 2 2H3 PLY 2 22.657 1.332 -2.912 729 1H4 PLY 2 1H4 PLY 2 21.455 2.254 -4.888 730 2H4 PLY 2 2H4 PLY 2 22.774 1.805 -5.955 731 1H5 PLY 2 1H5 PLY 2 21.075 -0.226 -4.468 732 2H5 PLY 2 2H5 PLY 2 22.218 -0.524 -5.775 733 1H6 PLY 2 1H6 PLY 2 19.713 1.103 -6.213 734 2H6 PLY 2 2H6 PLY 2 19.868 -0.610 -6.523 735 1H7 PLY 2 1H7 PLY 2 21.965 0.036 -7.963 736 2H7 PLY 2 2H7 PLY 2 20.353 0.259 -8.579 737 1H8 PLY 2 1H8 PLY 2 20.375 2.581 -8.475 738 2H8 PLY 2 2H8 PLY 2 21.634 2.708 -7.286 739 1H9 PLY 2 1H9 PLY 2 22.245 3.171 -9.782 740 2H9 PLY 2 2H9 PLY 2 22.053 1.460 -10.038 741 1HA PLY 2 1HA PLY 2 23.784 1.070 -8.221 742 2HA PLY 2 2HA PLY 2 23.956 2.806 -8.100 743 1HB PLY 2 1HB PLY 2 25.723 1.946 -9.592 744 2HB PLY 2 2HB PLY 2 24.594 2.934 -10.493 745 1HC PLY 2 1HC PLY 2 23.530 0.961 -11.501 746 2HC PLY 2 2HC PLY 2 25.257 0.792 -11.702 747 1HD PLY 2 1HD PLY 2 23.507 -0.615 -9.650 748 2HD PLY 2 2HD PLY 2 25.263 -0.602 -9.571 749 1HE PLY 2 1HE PLY 2 23.785 -1.577 -11.993 750 2HE PLY 2 2HE PLY 2 24.129 -2.578 -10.592 751 1HF PLY 2 1HF PLY 2 26.657 -1.756 -10.876 752 2HF PLY 2 2HF PLY 2 26.162 -1.235 -12.514 753 1HG PLY 2 1HG PLY 2 27.193 -3.424 -12.430 754 2HG PLY 2 2HG PLY 2 25.524 -3.499 -12.989 755 3HG PLY 2 3HG PLY 2 25.906 -3.938 -11.333 Start of MODEL 11 1 1H SER 1 1H SER 1 -0.935 3.637 -8.165 2 2H SER 1 2H SER 1 -1.115 1.932 -8.116 3 H SER 1 H SER 1 -1.612 2.904 -6.798 4 HA SER 1 HA SER 1 0.912 1.774 -7.159 5 1HB SER 1 1HB SER 1 2.051 4.248 -6.856 6 2HB SER 1 2HB SER 1 1.836 3.526 -8.454 7 HG SER 1 HG SER 1 0.646 5.699 -7.467 8 H GLN 2 H GLN 2 2.228 2.344 -5.284 9 HA GLN 2 HA GLN 2 0.687 3.151 -2.855 10 1HB GLN 2 1HB GLN 2 1.524 1.135 -1.720 11 2HB GLN 2 2HB GLN 2 0.856 0.644 -3.254 12 1HG GLN 2 1HG GLN 2 3.845 1.131 -2.849 13 2HG GLN 2 2HG GLN 2 3.069 -0.428 -2.673 14 1HE2 GLN 2 1HE2 GLN 2 4.808 -0.912 -4.220 15 2HE2 GLN 2 2HE2 GLN 2 4.438 -0.729 -5.887 16 H ALA 3 H ALA 3 2.599 2.788 -1.041 17 HA ALA 3 HA ALA 3 4.586 4.976 -1.617 18 1HB ALA 3 1HB ALA 3 3.074 5.243 0.382 19 2HB ALA 3 2HB ALA 3 4.755 5.133 0.866 20 3HB ALA 3 3HB ALA 3 3.690 3.750 1.068 21 H GLU 4 H GLU 4 4.256 1.756 -0.404 22 HA GLU 4 HA GLU 4 6.387 0.713 0.490 23 1HB GLU 4 1HB GLU 4 5.122 -0.492 -1.995 24 2HB GLU 4 2HB GLU 4 5.846 -1.288 -0.629 25 1HG GLU 4 1HG GLU 4 4.033 -0.430 0.895 26 2HG GLU 4 2HG GLU 4 3.147 0.114 -0.516 27 H PHE 5 H PHE 5 6.247 1.264 -2.781 28 HA PHE 5 HA PHE 5 8.786 0.416 -3.592 29 1HB PHE 5 1HB PHE 5 6.671 0.560 -4.793 30 2HB PHE 5 2HB PHE 5 6.707 2.270 -4.479 31 HD1 PHE 5 HD1 PHE 5 8.836 -0.418 -6.087 32 HD2 PHE 5 HD2 PHE 5 7.891 3.722 -5.942 33 HE1 PHE 5 HE1 PHE 5 10.400 -0.011 -7.948 34 HE2 PHE 5 HE2 PHE 5 9.433 4.144 -7.784 35 HZ PHE 5 HZ PHE 5 10.704 2.277 -8.806 36 H ASP 6 H ASP 6 7.516 3.589 -2.968 37 HA ASP 6 HA ASP 6 9.759 5.152 -3.594 38 1HB ASP 6 1HB ASP 6 7.422 5.642 -1.645 39 2HB ASP 6 2HB ASP 6 8.319 6.838 -2.498 40 H LYS 7 H LYS 7 8.333 3.944 -0.784 41 HA LYS 7 HA LYS 7 10.388 4.808 1.091 42 1HB LYS 7 1HB LYS 7 8.044 3.922 1.815 43 2HB LYS 7 2HB LYS 7 8.633 2.318 1.415 44 1HG LYS 7 1HG LYS 7 10.720 2.926 2.937 45 2HG LYS 7 2HG LYS 7 9.818 4.325 3.444 46 1HD LYS 7 1HD LYS 7 8.065 2.817 4.439 47 2HD LYS 7 2HD LYS 7 8.971 1.422 3.862 48 1HE LYS 7 1HE LYS 7 11.016 2.604 5.163 49 2HE LYS 7 2HE LYS 7 9.717 3.387 6.036 50 1HZ LYS 7 1HZ LYS 7 10.653 0.717 6.124 51 2HZ LYS 7 2HZ LYS 7 8.969 0.732 5.911 52 3HZ LYS 7 3HZ LYS 7 9.629 1.495 7.285 53 H ALA 8 H ALA 8 9.902 2.011 -0.963 54 HA ALA 8 HA ALA 8 12.105 0.442 0.075 55 1HB ALA 8 1HB ALA 8 10.273 -0.451 -1.420 56 2HB ALA 8 2HB ALA 8 11.815 -0.826 -2.117 57 3HB ALA 8 3HB ALA 8 10.871 0.482 -2.760 58 H ALA 9 H ALA 9 11.923 2.732 -2.789 59 HA ALA 9 HA ALA 9 14.588 2.807 -3.460 60 1HB ALA 9 1HB ALA 9 12.778 4.090 -4.622 61 2HB ALA 9 2HB ALA 9 14.030 5.245 -4.149 62 3HB ALA 9 3HB ALA 9 12.585 5.100 -3.207 63 H GLU 10 H GLU 10 12.969 4.574 -0.845 64 HA GLU 10 HA GLU 10 15.284 5.964 0.046 65 1HB GLU 10 1HB GLU 10 12.776 4.977 1.561 66 2HB GLU 10 2HB GLU 10 14.009 5.962 2.309 67 1HG GLU 10 1HG GLU 10 12.579 6.817 -0.239 68 2HG GLU 10 2HG GLU 10 12.082 7.333 1.371 69 H GLU 11 H GLU 11 13.804 2.960 1.287 70 HA GLU 11 HA GLU 11 15.509 2.155 3.142 71 1HB GLU 11 1HB GLU 11 14.019 0.584 1.124 72 2HB GLU 11 2HB GLU 11 14.760 -0.122 2.541 73 1HG GLU 11 1HG GLU 11 13.114 2.353 3.078 74 2HG GLU 11 2HG GLU 11 12.268 0.998 2.485 75 H VAL 12 H VAL 12 15.834 1.405 -0.360 76 HA VAL 12 HA VAL 12 18.220 -0.135 -0.068 77 HB VAL 12 HB VAL 12 16.432 0.146 -2.009 78 1HG1 VAL 12 1HG1 VAL 12 17.279 1.350 -3.963 79 2HG1 VAL 12 2HG1 VAL 12 18.633 2.012 -3.062 80 3HG1 VAL 12 3HG1 VAL 12 16.982 2.451 -2.658 81 1HG2 VAL 12 1HG2 VAL 12 18.161 -0.855 -3.567 82 2HG2 VAL 12 2HG2 VAL 12 18.288 -1.558 -1.974 83 3HG2 VAL 12 3HG2 VAL 12 19.432 -0.322 -2.484 84 H LYS 13 H LYS 13 17.642 3.390 -0.898 85 HA LYS 13 HA LYS 13 20.461 3.734 -1.107 86 1HB LYS 13 1HB LYS 13 17.979 5.493 -0.848 87 2HB LYS 13 2HB LYS 13 19.565 6.222 -0.884 88 1HG LYS 13 1HG LYS 13 20.004 4.728 -3.003 89 2HG LYS 13 2HG LYS 13 18.290 4.389 -2.952 90 1HD LYS 13 1HD LYS 13 17.808 6.855 -3.147 91 2HD LYS 13 2HD LYS 13 19.523 7.166 -3.369 92 1HE LYS 13 1HE LYS 13 18.020 5.213 -5.107 93 2HE LYS 13 2HE LYS 13 18.127 6.917 -5.496 94 1HZ LYS 13 1HZ LYS 13 20.093 6.563 -6.375 95 2HZ LYS 13 2HZ LYS 13 20.183 4.941 -5.970 96 3HZ LYS 13 3HZ LYS 13 20.761 6.285 -5.017 97 H HIS 14 H HIS 14 18.330 3.280 1.474 98 HA HIS 14 HA HIS 14 19.936 4.690 3.553 99 1HB HIS 14 1HB HIS 14 17.547 2.791 3.798 100 2HB HIS 14 2HB HIS 14 18.507 3.174 5.208 101 HD1 HIS 14 HD1 HIS 14 16.338 4.788 2.768 102 HD2 HIS 14 HD2 HIS 14 18.136 5.738 6.279 103 HE1 HIS 14 HE1 HIS 14 15.379 7.019 3.479 104 H LEU 15 H LEU 15 20.043 1.727 1.856 105 HA LEU 15 HA LEU 15 21.162 -0.078 3.689 106 1HB LEU 15 1HB LEU 15 21.844 0.324 0.754 107 2HB LEU 15 2HB LEU 15 22.508 -0.992 1.680 108 HG LEU 15 HG LEU 15 19.544 -0.596 1.317 109 1HD1 LEU 15 1HD1 LEU 15 19.886 -2.530 -0.256 110 2HD1 LEU 15 2HD1 LEU 15 21.630 -2.423 0.014 111 3HD1 LEU 15 3HD1 LEU 15 20.774 -1.104 -0.783 112 1HD2 LEU 15 1HD2 LEU 15 21.188 -2.953 2.387 113 2HD2 LEU 15 2HD2 LEU 15 19.437 -2.912 2.178 114 3HD2 LEU 15 3HD2 LEU 15 20.205 -1.885 3.363 115 H LYS 16 H LYS 16 22.793 -0.054 4.845 116 HA LYS 16 HA LYS 16 24.762 1.960 5.012 117 1HB LYS 16 1HB LYS 16 23.986 0.134 6.730 118 2HB LYS 16 2HB LYS 16 25.074 -0.957 5.918 119 1HG LYS 16 1HG LYS 16 26.402 -0.179 7.667 120 2HG LYS 16 2HG LYS 16 26.899 0.866 6.352 121 1HD LYS 16 1HD LYS 16 25.283 2.635 7.109 122 2HD LYS 16 2HD LYS 16 24.707 1.597 8.383 123 1HE LYS 16 1HE LYS 16 27.546 2.675 8.116 124 2HE LYS 16 2HE LYS 16 26.316 3.284 9.216 125 1HZ LYS 16 1HZ LYS 16 26.404 0.503 9.556 126 2HZ LYS 16 2HZ LYS 16 26.917 1.670 10.680 127 3HZ LYS 16 3HZ LYS 16 28.008 1.023 9.543 128 H THR 17 H THR 17 24.551 -0.831 3.239 129 HA THR 17 HA THR 17 27.179 -0.255 1.869 130 HB THR 17 HB THR 17 26.080 -2.928 2.861 131 HG1 THR 17 HG1 THR 17 27.836 -0.997 3.630 132 1HG2 THR 17 1HG2 THR 17 28.111 -3.942 1.969 133 2HG2 THR 17 2HG2 THR 17 28.651 -2.422 1.286 134 3HG2 THR 17 3HG2 THR 17 27.268 -3.267 0.591 135 H LYS 18 H LYS 18 27.498 -0.829 -0.217 136 HA LYS 18 HA LYS 18 25.214 -0.649 -2.014 137 1HB LYS 18 1HB LYS 18 27.103 -0.230 -3.692 138 2HB LYS 18 2HB LYS 18 27.053 0.917 -2.370 139 1HG LYS 18 1HG LYS 18 28.912 -0.379 -1.202 140 2HG LYS 18 2HG LYS 18 28.938 -1.541 -2.498 141 1HD LYS 18 1HD LYS 18 30.744 -0.065 -2.888 142 2HD LYS 18 2HD LYS 18 29.519 0.267 -4.107 143 1HE LYS 18 1HE LYS 18 28.731 2.206 -2.799 144 2HE LYS 18 2HE LYS 18 29.846 1.791 -1.501 145 1HZ LYS 18 1HZ LYS 18 31.416 2.946 -2.558 146 2HZ LYS 18 2HZ LYS 18 30.378 3.272 -3.854 147 3HZ LYS 18 3HZ LYS 18 31.351 1.888 -3.878 148 HA PRO 19 HA PRO 19 25.705 -5.145 -1.926 149 1HB PRO 19 1HB PRO 19 23.365 -4.806 -3.827 150 2HB PRO 19 2HB PRO 19 23.568 -5.986 -2.543 151 1HG PRO 19 1HG PRO 19 22.062 -3.877 -1.863 152 2HG PRO 19 2HG PRO 19 23.456 -4.134 -0.798 153 1HD PRO 19 1HD PRO 19 23.453 -2.319 -3.241 154 2HD PRO 19 2HD PRO 19 23.710 -1.898 -1.529 155 H ALA 20 H ALA 20 25.799 -6.888 -3.801 156 HA ALA 20 HA ALA 20 27.920 -5.951 -5.533 157 1HB ALA 20 1HB ALA 20 27.848 -8.296 -6.403 158 2HB ALA 20 2HB ALA 20 26.364 -8.576 -5.508 159 3HB ALA 20 3HB ALA 20 27.861 -8.259 -4.648 160 H ASP 21 H ASP 21 27.941 -5.782 -7.744 161 HA ASP 21 HA ASP 21 26.017 -4.338 -9.052 162 1HB ASP 21 1HB ASP 21 27.744 -6.503 -10.488 163 2HB ASP 21 2HB ASP 21 27.316 -4.893 -11.067 164 H GLU 22 H GLU 22 26.166 -7.913 -9.584 165 HA GLU 22 HA GLU 22 23.812 -7.990 -11.064 166 1HB GLU 22 1HB GLU 22 25.167 -10.004 -9.226 167 2HB GLU 22 2HB GLU 22 23.625 -10.428 -9.930 168 1HG GLU 22 1HG GLU 22 24.632 -9.992 -12.253 169 2HG GLU 22 2HG GLU 22 26.172 -9.644 -11.483 170 H GLU 23 H GLU 23 24.014 -7.862 -7.481 171 HA GLU 23 HA GLU 23 21.102 -8.245 -7.313 172 1HB GLU 23 1HB GLU 23 22.839 -6.873 -5.114 173 2HB GLU 23 2HB GLU 23 21.412 -7.860 -4.896 174 1HG GLU 23 1HG GLU 23 22.661 -9.884 -5.532 175 2HG GLU 23 2HG GLU 23 24.145 -8.948 -5.646 176 H MET 24 H MET 24 23.298 -5.562 -7.472 177 HA MET 24 HA MET 24 21.474 -3.415 -6.978 178 1HB MET 24 1HB MET 24 24.075 -3.817 -8.554 179 2HB MET 24 2HB MET 24 23.437 -2.239 -8.423 180 1HG MET 24 1HG MET 24 23.896 -3.978 -5.983 181 2HG MET 24 2HG MET 24 25.203 -3.076 -6.670 182 1HE MET 24 1HE MET 24 24.993 -0.741 -7.254 183 2HE MET 24 2HE MET 24 25.824 -0.692 -5.692 184 3HE MET 24 3HE MET 24 24.533 0.458 -6.087 185 H LEU 25 H LEU 25 22.659 -4.834 -10.023 186 HA LEU 25 HA LEU 25 21.334 -3.827 -12.037 187 1HB LEU 25 1HB LEU 25 22.055 -6.550 -11.177 188 2HB LEU 25 2HB LEU 25 21.210 -6.487 -12.633 189 HG LEU 25 HG LEU 25 24.034 -5.762 -11.927 190 1HD1 LEU 25 1HD1 LEU 25 23.322 -7.852 -13.035 191 2HD1 LEU 25 2HD1 LEU 25 24.407 -6.922 -14.046 192 3HD1 LEU 25 3HD1 LEU 25 22.674 -6.937 -14.374 193 1HD2 LEU 25 1HD2 LEU 25 22.705 -4.477 -14.331 194 2HD2 LEU 25 2HD2 LEU 25 24.402 -4.444 -13.880 195 3HD2 LEU 25 3HD2 LEU 25 23.238 -3.600 -12.895 196 H PHE 26 H PHE 26 19.895 -6.288 -9.889 197 HA PHE 26 HA PHE 26 17.291 -6.278 -11.164 198 1HB PHE 26 1HB PHE 26 18.055 -8.075 -9.752 199 2HB PHE 26 2HB PHE 26 18.144 -7.012 -8.369 200 HD1 PHE 26 HD1 PHE 26 16.295 -9.521 -9.749 201 HD2 PHE 26 HD2 PHE 26 15.548 -5.626 -8.139 202 HE1 PHE 26 HE1 PHE 26 13.950 -10.107 -9.324 203 HE2 PHE 26 HE2 PHE 26 13.259 -6.237 -7.742 204 HZ PHE 26 HZ PHE 26 12.437 -8.418 -8.305 205 H ILE 27 H ILE 27 18.239 -4.799 -8.029 206 HA ILE 27 HA ILE 27 15.895 -3.308 -7.562 207 HB ILE 27 HB ILE 27 18.809 -2.882 -6.949 208 1HG1 ILE 27 1HG1 ILE 27 17.365 -4.321 -5.582 209 2HG1 ILE 27 2HG1 ILE 27 18.016 -2.979 -4.639 210 1HG2 ILE 27 1HG2 ILE 27 18.423 -0.746 -5.750 211 2HG2 ILE 27 2HG2 ILE 27 16.802 -0.654 -6.366 212 3HG2 ILE 27 3HG2 ILE 27 18.163 -0.542 -7.455 213 1HD1 ILE 27 1HD1 ILE 27 15.843 -1.785 -4.779 214 2HD1 ILE 27 2HD1 ILE 27 15.639 -3.385 -4.108 215 3HD1 ILE 27 3HD1 ILE 27 15.124 -3.069 -5.739 216 H TYR 28 H TYR 28 18.656 -2.322 -9.428 217 HA TYR 28 HA TYR 28 17.650 0.136 -10.410 218 1HB TYR 28 1HB TYR 28 20.006 -0.505 -10.714 219 2HB TYR 28 2HB TYR 28 19.556 -1.853 -11.747 220 HD1 TYR 28 HD1 TYR 28 18.798 -1.486 -14.041 221 HD2 TYR 28 HD2 TYR 28 19.586 1.798 -11.428 222 HE1 TYR 28 HE1 TYR 28 18.626 0.108 -15.935 223 HE2 TYR 28 HE2 TYR 28 19.415 3.314 -13.313 224 HH TYR 28 HH TYR 28 19.751 3.095 -15.706 225 H SER 29 H SER 29 17.691 -2.869 -12.336 226 HA SER 29 HA SER 29 16.145 -2.091 -14.490 227 1HB SER 29 1HB SER 29 15.549 -4.649 -14.629 228 2HB SER 29 2HB SER 29 17.252 -4.259 -14.420 229 HG SER 29 HG SER 29 17.224 -5.217 -12.641 230 H HIS 30 H HIS 30 15.006 -3.636 -11.613 231 HA HIS 30 HA HIS 30 12.206 -3.361 -12.097 232 1HB HIS 30 1HB HIS 30 13.889 -3.718 -9.565 233 2HB HIS 30 2HB HIS 30 12.148 -3.495 -9.441 234 HD1 HIS 30 HD1 HIS 30 10.886 -5.582 -9.728 235 HD2 HIS 30 HD2 HIS 30 14.519 -5.837 -11.577 236 HE1 HIS 30 HE1 HIS 30 11.048 -7.905 -10.673 237 H TYR 31 H TYR 31 14.283 -1.067 -10.103 238 HA TYR 31 HA TYR 31 12.316 0.800 -9.612 239 1HB TYR 31 1HB TYR 31 14.651 0.719 -8.686 240 2HB TYR 31 2HB TYR 31 15.268 1.270 -10.216 241 HD1 TYR 31 HD1 TYR 31 12.811 2.164 -7.538 242 HD2 TYR 31 HD2 TYR 31 15.319 3.482 -10.656 243 HE1 TYR 31 HE1 TYR 31 12.270 4.512 -6.936 244 HE2 TYR 31 HE2 TYR 31 14.791 5.861 -10.078 245 HH TYR 31 HH TYR 31 13.958 7.156 -8.364 246 H LYS 32 H LYS 32 14.536 0.792 -12.435 247 HA LYS 32 HA LYS 32 13.298 3.160 -13.608 248 1HB LYS 32 1HB LYS 32 14.594 0.753 -14.948 249 2HB LYS 32 2HB LYS 32 14.285 2.271 -15.780 250 1HG LYS 32 1HG LYS 32 16.321 1.640 -13.600 251 2HG LYS 32 2HG LYS 32 16.582 2.208 -15.235 252 1HD LYS 32 1HD LYS 32 15.006 4.033 -13.400 253 2HD LYS 32 2HD LYS 32 16.681 3.854 -13.065 254 1HE LYS 32 1HE LYS 32 15.641 4.762 -15.763 255 2HE LYS 32 2HE LYS 32 16.135 5.835 -14.446 256 1HZ LYS 32 1HZ LYS 32 18.011 3.747 -14.921 257 2HZ LYS 32 2HZ LYS 32 18.367 5.405 -14.892 258 3HZ LYS 32 3HZ LYS 32 17.895 4.601 -16.294 259 H GLN 33 H GLN 33 12.772 -0.274 -14.233 260 HA GLN 33 HA GLN 33 10.455 -0.130 -15.834 261 1HB GLN 33 1HB GLN 33 11.591 -2.125 -14.057 262 2HB GLN 33 2HB GLN 33 9.879 -2.130 -13.813 263 1HG GLN 33 1HG GLN 33 11.285 -2.512 -16.425 264 2HG GLN 33 2HG GLN 33 10.358 -3.716 -15.534 265 1HE2 GLN 33 1HE2 GLN 33 9.896 -2.771 -18.279 266 2HE2 GLN 33 2HE2 GLN 33 8.316 -2.118 -18.239 267 H ALA 34 H ALA 34 10.117 -0.513 -12.385 268 HA ALA 34 HA ALA 34 7.458 -0.006 -11.916 269 1HB ALA 34 1HB ALA 34 8.212 0.573 -9.605 270 2HB ALA 34 2HB ALA 34 9.848 0.702 -10.233 271 3HB ALA 34 3HB ALA 34 9.040 -0.845 -10.224 272 H THR 35 H THR 35 9.714 2.457 -12.711 273 HA THR 35 HA THR 35 7.706 4.553 -11.970 274 HB THR 35 HB THR 35 9.672 6.129 -11.929 275 HG1 THR 35 HG1 THR 35 11.192 3.764 -12.220 276 1HG2 THR 35 1HG2 THR 35 9.201 4.690 -9.837 277 2HG2 THR 35 2HG2 THR 35 10.898 5.119 -10.023 278 3HG2 THR 35 3HG2 THR 35 10.333 3.506 -10.461 279 H VAL 36 H VAL 36 9.991 3.631 -14.472 280 HA VAL 36 HA VAL 36 8.762 5.583 -16.355 281 HB VAL 36 HB VAL 36 11.180 3.711 -16.747 282 1HG1 VAL 36 1HG1 VAL 36 10.155 4.456 -18.902 283 2HG1 VAL 36 2HG1 VAL 36 11.712 5.224 -18.670 284 3HG1 VAL 36 3HG1 VAL 36 10.241 6.124 -18.371 285 1HG2 VAL 36 1HG2 VAL 36 11.656 5.368 -14.980 286 2HG2 VAL 36 2HG2 VAL 36 11.244 6.684 -16.065 287 3HG2 VAL 36 3HG2 VAL 36 12.627 5.663 -16.417 288 H GLY 37 H GLY 37 9.612 2.234 -16.257 289 1HA GLY 37 1HA GLY 37 8.048 0.377 -16.815 290 2HA GLY 37 2HA GLY 37 7.358 1.407 -18.087 291 H ASP 38 H ASP 38 8.338 1.414 -20.090 292 HA ASP 38 HA ASP 38 10.360 -0.493 -20.685 293 1HB ASP 38 1HB ASP 38 8.822 1.623 -22.232 294 2HB ASP 38 2HB ASP 38 9.985 0.606 -23.049 295 H ILE 39 H ILE 39 12.243 -0.018 -21.989 296 HA ILE 39 HA ILE 39 13.751 2.271 -20.907 297 HB ILE 39 HB ILE 39 14.467 -0.133 -20.650 298 1HG1 ILE 39 1HG1 ILE 39 16.498 1.349 -22.378 299 2HG1 ILE 39 2HG1 ILE 39 16.088 1.879 -20.752 300 1HG2 ILE 39 1HG2 ILE 39 14.879 0.036 -23.682 301 2HG2 ILE 39 2HG2 ILE 39 13.710 -0.988 -22.872 302 3HG2 ILE 39 3HG2 ILE 39 15.425 -1.287 -22.694 303 1HD1 ILE 39 1HD1 ILE 39 16.708 -0.415 -19.882 304 2HD1 ILE 39 2HD1 ILE 39 18.076 0.324 -20.672 305 3HD1 ILE 39 3HD1 ILE 39 17.155 -0.900 -21.499 306 H ASN 40 H ASN 40 14.173 4.049 -22.114 307 HA ASN 40 HA ASN 40 13.990 3.898 -25.070 308 1HB ASN 40 1HB ASN 40 12.979 6.319 -24.640 309 2HB ASN 40 2HB ASN 40 11.964 4.904 -24.365 310 1HD2 ASN 40 1HD2 ASN 40 10.796 5.207 -22.457 311 2HD2 ASN 40 2HD2 ASN 40 11.463 5.952 -21.069 312 H THR 41 H THR 41 16.250 3.936 -23.086 313 HA THR 41 HA THR 41 17.768 6.328 -24.049 314 HB THR 41 HB THR 41 19.212 6.000 -21.988 315 HG1 THR 41 HG1 THR 41 18.050 4.069 -20.758 316 1HG2 THR 41 1HG2 THR 41 16.799 6.934 -21.526 317 2HG2 THR 41 2HG2 THR 41 17.502 6.084 -20.167 318 3HG2 THR 41 3HG2 THR 41 16.307 5.303 -21.196 319 H GLU 42 H GLU 42 19.650 6.018 -25.237 320 HA GLU 42 HA GLU 42 19.985 3.470 -26.477 321 1HB GLU 42 1HB GLU 42 21.517 6.077 -26.530 322 2HB GLU 42 2HB GLU 42 22.274 4.665 -27.220 323 1HG GLU 42 1HG GLU 42 20.277 4.262 -28.630 324 2HG GLU 42 2HG GLU 42 19.505 5.711 -27.995 325 H ARG 43 H ARG 43 21.350 1.897 -26.313 326 HA ARG 43 HA ARG 43 22.348 0.945 -23.928 327 1HB ARG 43 1HB ARG 43 22.089 -0.330 -26.024 328 2HB ARG 43 2HB ARG 43 23.534 0.449 -26.671 329 1HG ARG 43 1HG ARG 43 24.891 -0.527 -24.816 330 2HG ARG 43 2HG ARG 43 23.445 -1.251 -24.124 331 1HD ARG 43 1HD ARG 43 23.094 -2.581 -26.170 332 2HD ARG 43 2HD ARG 43 24.553 -1.859 -26.882 333 HE ARG 43 HE ARG 43 25.840 -2.876 -24.907 334 1HH1 ARG 43 1HH1 ARG 43 25.222 -5.028 -26.567 335 2HH1 ARG 43 2HH1 ARG 43 24.451 -6.167 -25.502 336 1HH2 ARG 43 1HH2 ARG 43 23.869 -3.698 -23.173 337 2HH2 ARG 43 2HH2 ARG 43 23.542 -5.315 -23.459 338 HA PRO 44 HA PRO 44 25.560 3.892 -22.716 339 1HB PRO 44 1HB PRO 44 26.340 1.335 -21.237 340 2HB PRO 44 2HB PRO 44 26.460 3.002 -20.676 341 1HG PRO 44 1HG PRO 44 24.293 1.650 -19.957 342 2HG PRO 44 2HG PRO 44 24.018 3.264 -20.615 343 1HD PRO 44 1HD PRO 44 23.739 0.547 -22.021 344 2HD PRO 44 2HD PRO 44 22.680 1.973 -22.126 345 H GLY 45 H GLY 45 27.708 4.455 -23.174 346 1HA GLY 45 1HA GLY 45 28.970 2.822 -25.305 347 2HA GLY 45 2HA GLY 45 29.272 4.494 -24.993 348 H MET 46 H MET 46 30.097 4.158 -22.199 349 HA MET 46 HA MET 46 32.835 3.145 -22.771 350 1HB MET 46 1HB MET 46 31.781 4.872 -20.502 351 2HB MET 46 2HB MET 46 33.453 4.378 -20.694 352 1HG MET 46 1HG MET 46 31.893 5.940 -22.758 353 2HG MET 46 2HG MET 46 33.041 6.629 -21.649 354 1HE MET 46 1HE MET 46 35.641 4.606 -21.756 355 2HE MET 46 2HE MET 46 35.366 6.353 -21.575 356 3HE MET 46 3HE MET 46 36.411 5.761 -22.844 357 H LEU 47 H LEU 47 30.528 2.611 -20.060 358 HA LEU 47 HA LEU 47 32.286 0.347 -19.213 359 1HB LEU 47 1HB LEU 47 30.159 1.942 -17.738 360 2HB LEU 47 2HB LEU 47 30.769 0.442 -17.100 361 HG LEU 47 HG LEU 47 33.111 1.479 -17.239 362 1HD1 LEU 47 1HD1 LEU 47 32.589 3.429 -18.683 363 2HD1 LEU 47 2HD1 LEU 47 33.166 3.950 -17.118 364 3HD1 LEU 47 3HD1 LEU 47 31.455 4.035 -17.481 365 1HD2 LEU 47 1HD2 LEU 47 31.885 1.132 -15.144 366 2HD2 LEU 47 2HD2 LEU 47 30.979 2.622 -15.390 367 3HD2 LEU 47 3HD2 LEU 47 32.710 2.678 -15.089 368 H ASP 48 H ASP 48 31.413 -1.681 -18.615 369 HA ASP 48 HA ASP 48 28.831 -2.306 -19.971 370 1HB ASP 48 1HB ASP 48 31.507 -3.685 -20.074 371 2HB ASP 48 2HB ASP 48 30.099 -4.745 -19.993 372 H PHE 49 H PHE 49 30.687 -4.323 -17.781 373 HA PHE 49 HA PHE 49 28.555 -5.497 -16.425 374 1HB PHE 49 1HB PHE 49 30.109 -6.185 -14.729 375 2HB PHE 49 2HB PHE 49 31.180 -5.829 -16.075 376 HD1 PHE 49 HD1 PHE 49 32.221 -3.466 -16.194 377 HD2 PHE 49 HD2 PHE 49 30.329 -5.003 -12.688 378 HE1 PHE 49 HE1 PHE 49 33.344 -1.762 -14.835 379 HE2 PHE 49 HE2 PHE 49 31.446 -3.319 -11.330 380 HZ PHE 49 HZ PHE 49 32.936 -1.682 -12.389 381 H LYS 50 H LYS 50 29.931 -2.496 -15.859 382 HA LYS 50 HA LYS 50 28.022 -1.783 -13.711 383 1HB LYS 50 1HB LYS 50 30.373 -1.399 -13.278 384 2HB LYS 50 2HB LYS 50 30.540 -0.400 -14.710 385 1HG LYS 50 1HG LYS 50 29.081 1.293 -13.702 386 2HG LYS 50 2HG LYS 50 28.648 0.198 -12.393 387 1HD LYS 50 1HD LYS 50 30.988 0.189 -11.604 388 2HD LYS 50 2HD LYS 50 31.472 1.243 -12.926 389 1HE LYS 50 1HE LYS 50 29.891 2.996 -12.051 390 2HE LYS 50 2HE LYS 50 29.497 1.947 -10.703 391 1HZ LYS 50 1HZ LYS 50 32.295 2.045 -10.998 392 2HZ LYS 50 2HZ LYS 50 31.387 2.578 -9.674 393 3HZ LYS 50 3HZ LYS 50 31.748 3.649 -10.962 394 H GLY 51 H GLY 51 28.484 -1.119 -17.004 395 1HA GLY 51 1HA GLY 51 26.405 1.036 -16.946 396 2HA GLY 51 2HA GLY 51 27.696 0.928 -18.146 397 H LYS 52 H LYS 52 27.586 -1.023 -19.642 398 HA LYS 52 HA LYS 52 25.058 -1.340 -20.858 399 1HB LYS 52 1HB LYS 52 27.348 -3.346 -20.736 400 2HB LYS 52 2HB LYS 52 25.850 -3.850 -21.416 401 1HG LYS 52 1HG LYS 52 27.194 -3.112 -23.234 402 2HG LYS 52 2HG LYS 52 25.879 -1.964 -23.026 403 1HD LYS 52 1HD LYS 52 27.266 -0.289 -22.067 404 2HD LYS 52 2HD LYS 52 28.573 -1.413 -21.753 405 1HE LYS 52 1HE LYS 52 27.697 -0.603 -24.501 406 2HE LYS 52 2HE LYS 52 29.078 0.070 -23.640 407 1HZ LYS 52 1HZ LYS 52 30.299 -1.799 -24.049 408 2HZ LYS 52 2HZ LYS 52 29.054 -2.391 -25.075 409 3HZ LYS 52 3HZ LYS 52 29.145 -2.719 -23.407 410 H ALA 53 H ALA 53 26.155 -2.959 -18.160 411 HA ALA 53 HA ALA 53 24.211 -5.041 -17.989 412 1HB ALA 53 1HB ALA 53 25.030 -5.280 -15.609 413 2HB ALA 53 2HB ALA 53 25.756 -3.690 -15.716 414 3HB ALA 53 3HB ALA 53 26.400 -5.024 -16.664 415 H LYS 54 H LYS 54 24.399 -1.928 -15.989 416 HA LYS 54 HA LYS 54 21.778 -2.235 -15.038 417 1HB LYS 54 1HB LYS 54 21.915 0.289 -14.798 418 2HB LYS 54 2HB LYS 54 23.218 -0.613 -14.069 419 1HG LYS 54 1HG LYS 54 24.707 -0.150 -16.004 420 2HG LYS 54 2HG LYS 54 23.405 0.717 -16.811 421 1HD LYS 54 1HD LYS 54 24.288 1.322 -14.009 422 2HD LYS 54 2HD LYS 54 25.196 1.961 -15.353 423 1HE LYS 54 1HE LYS 54 23.461 3.373 -16.087 424 2HE LYS 54 2HE LYS 54 22.198 2.367 -15.409 425 1HZ LYS 54 1HZ LYS 54 23.793 3.420 -13.256 426 2HZ LYS 54 2HZ LYS 54 22.162 3.680 -13.710 427 3HZ LYS 54 3HZ LYS 54 23.278 4.654 -14.317 428 H TRP 55 H TRP 55 22.773 -1.338 -18.438 429 HA TRP 55 HA TRP 55 20.141 -0.198 -18.919 430 1HB TRP 55 1HB TRP 55 22.427 0.199 -20.115 431 2HB TRP 55 2HB TRP 55 22.172 -1.309 -20.947 432 HD1 TRP 55 HD1 TRP 55 20.407 2.136 -20.419 433 HE1 TRP 55 HE1 TRP 55 18.967 2.491 -22.450 434 HE3 TRP 55 HE3 TRP 55 21.095 -2.275 -22.815 435 HZ2 TRP 55 HZ2 TRP 55 18.129 1.131 -24.813 436 HZ3 TRP 55 HZ3 TRP 55 19.996 -2.730 -24.957 437 HH2 TRP 55 HH2 TRP 55 18.484 -1.030 -25.970 438 H ASP 56 H ASP 56 21.893 -3.129 -20.218 439 HA ASP 56 HA ASP 56 20.006 -4.661 -21.162 440 1HB ASP 56 1HB ASP 56 22.467 -4.985 -19.490 441 2HB ASP 56 2HB ASP 56 21.707 -6.444 -19.845 442 H ALA 57 H ALA 57 20.916 -4.840 -17.817 443 HA ALA 57 HA ALA 57 19.055 -6.555 -16.787 444 1HB ALA 57 1HB ALA 57 20.157 -3.983 -15.559 445 2HB ALA 57 2HB ALA 57 20.968 -5.533 -15.573 446 3HB ALA 57 3HB ALA 57 19.492 -5.320 -14.627 447 H TRP 58 H TRP 58 18.564 -3.083 -17.437 448 HA TRP 58 HA TRP 58 15.753 -3.326 -16.457 449 1HB TRP 58 1HB TRP 58 16.830 -1.097 -16.091 450 2HB TRP 58 2HB TRP 58 17.122 -0.959 -17.809 451 HD1 TRP 58 HD1 TRP 58 13.687 -2.380 -16.528 452 HE1 TRP 58 HE1 TRP 58 11.951 -0.586 -17.206 453 HE3 TRP 58 HE3 TRP 58 16.670 1.339 -18.109 454 HZ2 TRP 58 HZ2 TRP 58 11.791 2.018 -18.175 455 HZ3 TRP 58 HZ3 TRP 58 15.716 3.496 -18.895 456 HH2 TRP 58 HH2 TRP 58 13.272 3.827 -18.920 457 H ASN 59 H ASN 59 17.411 -3.167 -19.735 458 HA ASN 59 HA ASN 59 15.041 -2.823 -21.205 459 1HB ASN 59 1HB ASN 59 17.442 -2.831 -22.189 460 2HB ASN 59 2HB ASN 59 17.524 -4.537 -21.821 461 1HD2 ASN 59 1HD2 ASN 59 17.291 -5.671 -23.684 462 2HD2 ASN 59 2HD2 ASN 59 16.137 -5.299 -24.889 463 H GLU 60 H GLU 60 16.551 -5.721 -19.685 464 HA GLU 60 HA GLU 60 15.062 -7.733 -20.690 465 1HB GLU 60 1HB GLU 60 16.299 -7.237 -17.939 466 2HB GLU 60 2HB GLU 60 15.619 -8.782 -18.376 467 1HG GLU 60 1HG GLU 60 17.276 -9.080 -20.189 468 2HG GLU 60 2HG GLU 60 17.937 -7.492 -19.924 469 H LEU 61 H LEU 61 13.814 -5.325 -18.661 470 HA LEU 61 HA LEU 61 11.385 -6.951 -18.082 471 1HB LEU 61 1HB LEU 61 12.262 -4.437 -16.624 472 2HB LEU 61 2HB LEU 61 11.052 -5.610 -16.106 473 HG LEU 61 HG LEU 61 14.071 -6.007 -16.242 474 1HD1 LEU 61 1HD1 LEU 61 13.203 -4.618 -14.358 475 2HD1 LEU 61 2HD1 LEU 61 13.819 -6.170 -13.811 476 3HD1 LEU 61 3HD1 LEU 61 12.090 -5.914 -13.930 477 1HD2 LEU 61 1HD2 LEU 61 13.615 -8.181 -15.241 478 2HD2 LEU 61 2HD2 LEU 61 12.843 -8.069 -16.810 479 3HD2 LEU 61 3HD2 LEU 61 11.866 -7.926 -15.350 480 H LYS 62 H LYS 62 12.450 -4.578 -20.150 481 HA LYS 62 HA LYS 62 10.812 -2.474 -20.149 482 1HB LYS 62 1HB LYS 62 12.708 -3.027 -21.641 483 2HB LYS 62 2HB LYS 62 11.740 -4.277 -22.417 484 1HG LYS 62 1HG LYS 62 10.038 -2.534 -22.844 485 2HG LYS 62 2HG LYS 62 11.113 -1.295 -22.372 486 1HD LYS 62 1HD LYS 62 11.501 -1.278 -24.679 487 2HD LYS 62 2HD LYS 62 12.737 -2.434 -24.211 488 1HE LYS 62 1HE LYS 62 11.351 -3.293 -26.072 489 2HE LYS 62 2HE LYS 62 11.213 -4.309 -24.641 490 1HZ LYS 62 1HZ LYS 62 9.165 -2.864 -25.966 491 2HZ LYS 62 2HZ LYS 62 9.258 -2.223 -24.416 492 3HZ LYS 62 3HZ LYS 62 8.987 -3.841 -24.594 493 H GLY 63 H GLY 63 8.587 -2.174 -20.019 494 1HA GLY 63 1HA GLY 63 6.409 -2.521 -21.213 495 2HA GLY 63 2HA GLY 63 6.816 -4.216 -21.354 496 H THR 64 H THR 64 7.687 -4.509 -18.641 497 HA THR 64 HA THR 64 5.469 -5.525 -17.376 498 HB THR 64 HB THR 64 7.589 -4.119 -15.662 499 HG1 THR 64 HG1 THR 64 8.679 -5.352 -17.216 500 1HG2 THR 64 1HG2 THR 64 6.216 -6.840 -15.566 501 2HG2 THR 64 2HG2 THR 64 5.643 -5.464 -14.606 502 3HG2 THR 64 3HG2 THR 64 7.241 -6.141 -14.331 503 H SER 65 H SER 65 3.884 -4.900 -15.711 504 HA SER 65 HA SER 65 3.040 -2.142 -16.001 505 1HB SER 65 1HB SER 65 2.129 -4.457 -14.185 506 2HB SER 65 2HB SER 65 1.346 -2.869 -14.164 507 HG SER 65 HG SER 65 0.245 -3.728 -15.827 508 H LYS 66 H LYS 66 3.750 -0.429 -14.639 509 HA LYS 66 HA LYS 66 5.991 -0.420 -13.160 510 1HB LYS 66 1HB LYS 66 3.377 1.090 -12.733 511 2HB LYS 66 2HB LYS 66 4.871 1.578 -11.959 512 1HG LYS 66 1HG LYS 66 6.015 1.988 -14.014 513 2HG LYS 66 2HG LYS 66 4.866 1.146 -14.996 514 1HD LYS 66 1HD LYS 66 4.320 3.738 -13.511 515 2HD LYS 66 2HD LYS 66 4.768 3.634 -15.203 516 1HE LYS 66 1HE LYS 66 2.682 2.206 -15.584 517 2HE LYS 66 2HE LYS 66 2.228 2.495 -13.911 518 1HZ LYS 66 1HZ LYS 66 1.748 4.225 -16.099 519 2HZ LYS 66 2HZ LYS 66 2.913 4.967 -15.126 520 3HZ LYS 66 3HZ LYS 66 1.419 4.496 -14.464 521 H GLU 67 H GLU 67 2.920 -1.018 -11.794 522 HA GLU 67 HA GLU 67 3.441 -1.443 -9.136 523 1HB GLU 67 1HB GLU 67 1.481 -2.503 -11.198 524 2HB GLU 67 2HB GLU 67 1.315 -3.039 -9.583 525 1HG GLU 67 1HG GLU 67 1.021 -0.596 -8.786 526 2HG GLU 67 2HG GLU 67 1.086 -0.064 -10.451 527 H ASP 68 H ASP 68 3.754 -3.985 -11.686 528 HA ASP 68 HA ASP 68 4.366 -6.050 -9.814 529 1HB ASP 68 1HB ASP 68 4.653 -5.526 -12.778 530 2HB ASP 68 2HB ASP 68 5.121 -7.059 -12.079 531 H ALA 69 H ALA 69 6.106 -3.892 -11.716 532 HA ALA 69 HA ALA 69 8.778 -4.861 -11.172 533 1HB ALA 69 1HB ALA 69 8.213 -3.064 -12.856 534 2HB ALA 69 2HB ALA 69 9.511 -2.541 -11.786 535 3HB ALA 69 3HB ALA 69 7.866 -1.976 -11.544 536 H MET 70 H MET 70 6.609 -2.595 -9.598 537 HA MET 70 HA MET 70 8.242 -2.080 -7.280 538 1HB MET 70 1HB MET 70 5.152 -2.201 -7.338 539 2HB MET 70 2HB MET 70 6.134 -1.441 -6.112 540 1HG MET 70 1HG MET 70 6.961 0.184 -7.814 541 2HG MET 70 2HG MET 70 5.945 -0.558 -8.996 542 1HE MET 70 1HE MET 70 5.304 3.067 -8.111 543 2HE MET 70 2HE MET 70 4.462 2.263 -9.460 544 3HE MET 70 3HE MET 70 6.161 1.924 -9.111 545 H LYS 71 H LYS 71 5.567 -4.338 -7.527 546 HA LYS 71 HA LYS 71 5.499 -5.696 -5.170 547 1HB LYS 71 1HB LYS 71 5.572 -7.084 -7.900 548 2HB LYS 71 2HB LYS 71 5.057 -7.867 -6.423 549 1HG LYS 71 1HG LYS 71 3.122 -6.435 -6.216 550 2HG LYS 71 2HG LYS 71 3.610 -5.456 -7.564 551 1HD LYS 71 1HD LYS 71 3.607 -7.716 -8.977 552 2HD LYS 71 2HD LYS 71 2.850 -8.425 -7.586 553 1HE LYS 71 1HE LYS 71 1.215 -7.818 -9.336 554 2HE LYS 71 2HE LYS 71 0.890 -6.953 -7.842 555 1HZ LYS 71 1HZ LYS 71 1.056 -5.025 -9.048 556 2HZ LYS 71 2HZ LYS 71 1.453 -5.918 -10.421 557 3HZ LYS 71 3HZ LYS 71 2.678 -5.392 -9.417 558 H ALA 72 H ALA 72 7.873 -6.220 -7.667 559 HA ALA 72 HA ALA 72 9.348 -8.145 -5.903 560 1HB ALA 72 1HB ALA 72 10.618 -8.566 -8.007 561 2HB ALA 72 2HB ALA 72 9.867 -7.166 -8.784 562 3HB ALA 72 3HB ALA 72 8.925 -8.578 -8.355 563 H TYR 73 H TYR 73 10.006 -4.955 -7.501 564 HA TYR 73 HA TYR 73 12.526 -4.392 -6.635 565 1HB TYR 73 1HB TYR 73 11.079 -2.865 -7.930 566 2HB TYR 73 2HB TYR 73 10.085 -2.608 -6.527 567 HD1 TYR 73 HD1 TYR 73 10.635 -0.918 -4.953 568 HD2 TYR 73 HD2 TYR 73 13.552 -2.170 -7.805 569 HE1 TYR 73 HE1 TYR 73 12.110 0.942 -4.304 570 HE2 TYR 73 HE2 TYR 73 14.987 -0.338 -7.115 571 HH TYR 73 HH TYR 73 14.907 1.786 -6.014 572 H ILE 74 H ILE 74 9.648 -3.861 -4.799 573 HA ILE 74 HA ILE 74 10.766 -2.951 -2.342 574 HB ILE 74 HB ILE 74 8.151 -4.448 -2.861 575 1HG1 ILE 74 1HG1 ILE 74 8.591 -1.437 -2.678 576 2HG1 ILE 74 2HG1 ILE 74 8.757 -2.233 -4.231 577 1HG2 ILE 74 1HG2 ILE 74 8.737 -4.172 -0.416 578 2HG2 ILE 74 2HG2 ILE 74 7.389 -3.162 -0.842 579 3HG2 ILE 74 3HG2 ILE 74 8.977 -2.443 -0.654 580 1HD1 ILE 74 1HD1 ILE 74 6.508 -1.405 -3.961 581 2HD1 ILE 74 2HD1 ILE 74 6.272 -2.323 -2.481 582 3HD1 ILE 74 3HD1 ILE 74 6.464 -3.159 -4.009 583 H ASP 75 H ASP 75 10.171 -6.225 -3.480 584 HA ASP 75 HA ASP 75 10.972 -7.474 -0.919 585 1HB ASP 75 1HB ASP 75 9.493 -8.191 -3.196 586 2HB ASP 75 2HB ASP 75 10.844 -9.276 -3.108 587 H LYS 76 H LYS 76 12.320 -6.408 -3.716 588 HA LYS 76 HA LYS 76 14.724 -8.140 -3.634 589 1HB LYS 76 1HB LYS 76 13.854 -6.739 -5.656 590 2HB LYS 76 2HB LYS 76 14.582 -5.328 -4.963 591 1HG LYS 76 1HG LYS 76 15.775 -7.842 -6.027 592 2HG LYS 76 2HG LYS 76 16.297 -6.174 -6.327 593 1HD LYS 76 1HD LYS 76 17.189 -5.960 -4.075 594 2HD LYS 76 2HD LYS 76 16.778 -7.621 -3.736 595 1HE LYS 76 1HE LYS 76 19.124 -6.663 -4.991 596 2HE LYS 76 2HE LYS 76 18.760 -8.237 -4.312 597 1HZ LYS 76 1HZ LYS 76 17.339 -7.894 -6.785 598 2HZ LYS 76 2HZ LYS 76 18.512 -9.044 -6.361 599 3HZ LYS 76 3HZ LYS 76 18.990 -7.506 -6.953 600 H VAL 77 H VAL 77 13.875 -4.797 -2.966 601 HA VAL 77 HA VAL 77 16.075 -3.932 -1.431 602 HB VAL 77 HB VAL 77 13.134 -3.311 -0.801 603 1HG1 VAL 77 1HG1 VAL 77 15.740 -1.863 -0.053 604 2HG1 VAL 77 2HG1 VAL 77 14.762 -2.786 1.076 605 3HG1 VAL 77 3HG1 VAL 77 14.122 -1.331 0.348 606 1HG2 VAL 77 1HG2 VAL 77 13.764 -2.566 -3.107 607 2HG2 VAL 77 2HG2 VAL 77 15.229 -1.841 -2.464 608 3HG2 VAL 77 3HG2 VAL 77 13.688 -1.156 -2.074 609 H GLU 78 H GLU 78 13.207 -5.632 -0.190 610 HA GLU 78 HA GLU 78 14.345 -5.880 2.383 611 1HB GLU 78 1HB GLU 78 11.919 -6.661 1.264 612 2HB GLU 78 2HB GLU 78 12.542 -8.159 1.865 613 1HG GLU 78 1HG GLU 78 12.508 -5.499 3.525 614 2HG GLU 78 2HG GLU 78 11.270 -6.726 3.652 615 H GLU 79 H GLU 79 14.672 -8.405 -0.293 616 HA GLU 79 HA GLU 79 16.277 -10.259 1.307 617 1HB GLU 79 1HB GLU 79 16.375 -11.457 -0.667 618 2HB GLU 79 2HB GLU 79 15.240 -10.261 -1.266 619 1HG GLU 79 1HG GLU 79 16.942 -8.859 -1.972 620 2HG GLU 79 2HG GLU 79 18.172 -9.874 -1.187 621 H LEU 80 H LEU 80 17.103 -7.389 -0.554 622 HA LEU 80 HA LEU 80 19.959 -7.577 -0.146 623 1HB LEU 80 1HB LEU 80 18.048 -5.215 -0.518 624 2HB LEU 80 2HB LEU 80 19.771 -4.956 -0.354 625 HG LEU 80 HG LEU 80 18.412 -6.629 -2.461 626 1HD1 LEU 80 1HD1 LEU 80 19.929 -3.968 -2.588 627 2HD1 LEU 80 2HD1 LEU 80 18.180 -4.107 -2.648 628 3HD1 LEU 80 3HD1 LEU 80 19.167 -4.751 -3.959 629 1HD2 LEU 80 1HD2 LEU 80 20.728 -7.504 -1.992 630 2HD2 LEU 80 2HD2 LEU 80 21.339 -5.872 -2.001 631 3HD2 LEU 80 3HD2 LEU 80 20.791 -6.597 -3.481 632 H LYS 81 H LYS 81 17.433 -5.872 1.625 633 HA LYS 81 HA LYS 81 18.946 -5.043 3.850 634 1HB LYS 81 1HB LYS 81 16.614 -4.356 3.204 635 2HB LYS 81 2HB LYS 81 16.050 -5.972 3.373 636 1HG LYS 81 1HG LYS 81 15.963 -5.994 5.601 637 2HG LYS 81 2HG LYS 81 17.102 -4.713 5.801 638 1HD LYS 81 1HD LYS 81 15.279 -3.187 4.489 639 2HD LYS 81 2HD LYS 81 14.178 -4.515 4.746 640 1HE LYS 81 1HE LYS 81 15.607 -2.919 6.866 641 2HE LYS 81 2HE LYS 81 13.903 -2.843 6.499 642 1HZ LYS 81 1HZ LYS 81 15.346 -4.769 8.025 643 2HZ LYS 81 2HZ LYS 81 14.330 -5.523 6.814 644 3HZ LYS 81 3HZ LYS 81 13.643 -4.524 7.990 645 H LYS 82 H LYS 82 17.257 -8.110 3.565 646 HA LYS 82 HA LYS 82 18.080 -9.183 6.002 647 1HB LYS 82 1HB LYS 82 17.811 -10.740 3.387 648 2HB LYS 82 2HB LYS 82 17.819 -11.459 4.990 649 1HG LYS 82 1HG LYS 82 15.700 -10.369 5.559 650 2HG LYS 82 2HG LYS 82 15.674 -9.498 4.054 651 1HD LYS 82 1HD LYS 82 15.859 -11.893 2.919 652 2HD LYS 82 2HD LYS 82 15.499 -12.519 4.509 653 1HE LYS 82 1HE LYS 82 13.410 -12.406 3.293 654 2HE LYS 82 2HE LYS 82 13.396 -11.108 4.490 655 1HZ LYS 82 1HZ LYS 82 13.254 -9.647 2.955 656 2HZ LYS 82 2HZ LYS 82 13.180 -10.771 1.680 657 3HZ LYS 82 3HZ LYS 82 14.670 -10.089 2.197 658 H LYS 83 H LYS 83 19.658 -9.200 3.007 659 HA LYS 83 HA LYS 83 22.013 -10.752 3.662 660 1HB LYS 83 1HB LYS 83 21.454 -8.795 1.408 661 2HB LYS 83 2HB LYS 83 22.911 -9.749 1.512 662 1HG LYS 83 1HG LYS 83 21.828 -11.761 1.064 663 2HG LYS 83 2HG LYS 83 20.245 -11.119 1.521 664 1HD LYS 83 1HD LYS 83 20.063 -9.817 -0.464 665 2HD LYS 83 2HD LYS 83 21.776 -9.699 -0.706 666 1HE LYS 83 1HE LYS 83 20.540 -11.033 -2.422 667 2HE LYS 83 2HE LYS 83 21.926 -11.837 -1.708 668 1HZ LYS 83 1HZ LYS 83 19.188 -12.518 -1.671 669 2HZ LYS 83 2HZ LYS 83 19.758 -12.342 -0.074 670 3HZ LYS 83 3HZ LYS 83 20.488 -13.493 -1.114 671 H TYR 84 H TYR 84 21.551 -7.331 3.280 672 HA TYR 84 HA TYR 84 24.263 -6.731 4.185 673 1HB TYR 84 1HB TYR 84 21.965 -5.148 2.974 674 2HB TYR 84 2HB TYR 84 23.471 -4.356 3.477 675 HD1 TYR 84 HD1 TYR 84 21.975 -6.461 0.866 676 HD2 TYR 84 HD2 TYR 84 25.656 -5.349 2.708 677 HE1 TYR 84 HE1 TYR 84 23.187 -7.388 -1.040 678 HE2 TYR 84 HE2 TYR 84 26.863 -6.267 0.779 679 HH TYR 84 HH TYR 84 25.344 -7.885 -1.849 680 H GLY 85 H GLY 85 21.186 -6.619 5.911 681 1HA GLY 85 1HA GLY 85 21.546 -6.557 8.353 682 2HA GLY 85 2HA GLY 85 22.815 -5.421 8.143 683 H ILE 86 H ILE 86 19.585 -4.853 6.840 684 HA ILE 86 HA ILE 86 19.138 -2.905 9.054 685 HB ILE 86 HB ILE 86 19.959 -1.879 6.936 686 1HG1 ILE 86 1HG1 ILE 86 17.063 -1.379 7.537 687 2HG1 ILE 86 2HG1 ILE 86 18.417 -0.564 8.270 688 1HG2 ILE 86 1HG2 ILE 86 18.705 -1.962 4.840 689 2HG2 ILE 86 2HG2 ILE 86 17.469 -2.913 5.582 690 3HG2 ILE 86 3HG2 ILE 86 19.090 -3.602 5.334 691 1HD1 ILE 86 1HD1 ILE 86 17.516 -0.238 5.304 692 2HD1 ILE 86 2HD1 ILE 86 18.969 0.474 5.965 693 3HD1 ILE 86 3HD1 ILE 86 17.401 0.971 6.548 694 AH2 COA 1 AH2 COA 1 17.035 1.327 -8.238 695 AH61 COA 1 AH61 COA 1 15.377 5.575 -5.657 696 AH62 COA 1 AH62 COA 1 14.927 3.916 -5.250 697 AH8 COA 1 AH8 COA 1 18.229 7.605 -8.979 698 AH1* COA 1 AH1* COA 1 18.817 4.506 -11.114 699 AH2* COA 1 AH2* COA 1 19.404 7.493 -10.719 700 AHO2 COA 1 AHO2 COA 1 19.114 6.809 -13.190 701 AH3* COA 1 AH3* COA 1 21.432 7.107 -11.992 702 AH4* COA 1 AH4* COA 1 22.160 4.871 -10.654 703 AH51 COA 1 AH51 COA 1 22.776 7.081 -9.622 704 AH52 COA 1 AH52 COA 1 22.065 6.072 -8.400 705 1H12 COA 1 1H12 COA 1 23.395 8.547 -5.239 706 2H12 COA 1 2H12 COA 1 22.451 8.072 -3.860 707 1H13 COA 1 1H13 COA 1 23.535 6.137 -6.807 708 2H13 COA 1 2H13 COA 1 24.967 7.024 -6.330 709 3H13 COA 1 3H13 COA 1 24.890 5.289 -6.048 710 1H14 COA 1 1H14 COA 1 22.131 5.455 -3.513 711 2H14 COA 1 2H14 COA 1 23.341 4.403 -4.233 712 3H14 COA 1 3H14 COA 1 22.115 5.109 -5.225 713 H10 COA 1 H10 COA 1 25.389 5.785 -3.423 714 HO1 COA 1 HO1 COA 1 24.991 8.472 -4.205 715 HN8 COA 1 HN8 COA 1 23.611 5.000 -2.253 716 1H7 COA 1 1H7 COA 1 22.465 4.712 -0.283 717 2H7 COA 1 2H7 COA 1 21.794 6.318 -0.575 718 1H6 COA 1 1H6 COA 1 23.793 7.388 0.457 719 2H6 COA 1 2H6 COA 1 23.095 6.273 1.631 720 HN4 COA 1 HN4 COA 1 23.877 3.958 1.169 721 1H3 COA 1 1H3 COA 1 26.850 4.013 1.260 722 2H3 COA 1 2H3 COA 1 25.813 2.717 1.856 723 1H2 COA 1 1H2 COA 1 26.263 3.484 -1.029 724 2H2 COA 1 2H2 COA 1 26.840 2.015 -0.271 725 1H2 PLY 2 1H2 PLY 2 23.445 2.511 -4.372 726 2H2 PLY 2 2H2 PLY 2 24.317 1.074 -3.885 727 1H3 PLY 2 1H3 PLY 2 22.685 0.457 -2.292 728 2H3 PLY 2 2H3 PLY 2 21.767 1.956 -2.431 729 1H4 PLY 2 1H4 PLY 2 20.392 0.663 -4.056 730 2H4 PLY 2 2H4 PLY 2 21.654 -0.547 -4.244 731 1H5 PLY 2 1H5 PLY 2 21.492 0.309 -6.299 732 2H5 PLY 2 2H5 PLY 2 22.710 1.352 -5.646 733 1H6 PLY 2 1H6 PLY 2 19.799 2.049 -5.641 734 2H6 PLY 2 2H6 PLY 2 21.143 3.103 -5.195 735 1H7 PLY 2 1H7 PLY 2 20.061 3.057 -7.689 736 2H7 PLY 2 2H7 PLY 2 21.067 1.658 -7.866 737 1H8 PLY 2 1H8 PLY 2 22.118 4.423 -7.109 738 2H8 PLY 2 2H8 PLY 2 22.064 3.841 -8.731 739 1H9 PLY 2 1H9 PLY 2 24.303 3.745 -7.896 740 2H9 PLY 2 2H9 PLY 2 23.857 2.743 -6.552 741 1HA PLY 2 1HA PLY 2 23.272 0.899 -8.174 742 2HA PLY 2 2HA PLY 2 24.930 1.401 -8.412 743 1HB PLY 2 1HB PLY 2 23.997 3.015 -10.211 744 2HB PLY 2 2HB PLY 2 22.520 2.097 -10.109 745 1HC PLY 2 1HC PLY 2 25.228 1.108 -11.088 746 2HC PLY 2 2HC PLY 2 23.680 1.010 -11.896 747 1HD PLY 2 1HD PLY 2 24.651 -0.674 -9.571 748 2HD PLY 2 2HD PLY 2 22.943 -0.624 -9.995 749 1HE PLY 2 1HE PLY 2 23.630 -1.399 -12.218 750 2HE PLY 2 2HE PLY 2 23.934 -2.478 -10.864 751 1HF PLY 2 1HF PLY 2 26.060 -0.820 -12.346 752 2HF PLY 2 2HF PLY 2 26.366 -1.567 -10.766 753 1HG PLY 2 1HG PLY 2 27.136 -3.034 -12.452 754 2HG PLY 2 2HG PLY 2 25.688 -3.706 -11.729 755 3HG PLY 2 3HG PLY 2 25.591 -2.930 -13.310 Start of MODEL 12 1 1H SER 1 1H SER 1 4.113 3.952 -8.055 2 2H SER 1 2H SER 1 4.123 5.654 -7.889 3 H SER 1 H SER 1 4.274 4.655 -6.522 4 HA SER 1 HA SER 1 1.886 5.622 -7.598 5 1HB SER 1 1HB SER 1 0.732 3.344 -8.029 6 2HB SER 1 2HB SER 1 1.907 3.767 -9.293 7 HG SER 1 HG SER 1 2.315 1.699 -8.342 8 H GLN 2 H GLN 2 3.083 2.753 -5.989 9 HA GLN 2 HA GLN 2 1.305 3.224 -3.657 10 1HB GLN 2 1HB GLN 2 1.868 0.853 -3.053 11 2HB GLN 2 2HB GLN 2 1.359 0.926 -4.732 12 1HG GLN 2 1HG GLN 2 3.869 1.095 -5.377 13 2HG GLN 2 2HG GLN 2 4.242 0.763 -3.708 14 1HE2 GLN 2 1HE2 GLN 2 4.633 -1.189 -3.148 15 2HE2 GLN 2 2HE2 GLN 2 4.168 -2.576 -4.061 16 H ALA 3 H ALA 3 2.150 4.542 -2.198 17 HA ALA 3 HA ALA 3 4.647 5.498 -1.740 18 1HB ALA 3 1HB ALA 3 3.934 5.772 0.654 19 2HB ALA 3 2HB ALA 3 2.637 4.627 0.383 20 3HB ALA 3 3HB ALA 3 2.640 6.166 -0.465 21 H GLU 4 H GLU 4 3.852 2.249 -1.098 22 HA GLU 4 HA GLU 4 6.018 1.703 0.698 23 1HB GLU 4 1HB GLU 4 3.963 0.097 -0.864 24 2HB GLU 4 2HB GLU 4 5.245 -0.756 -0.090 25 1HG GLU 4 1HG GLU 4 3.223 1.109 1.300 26 2HG GLU 4 2HG GLU 4 3.255 -0.638 1.449 27 H PHE 5 H PHE 5 5.739 1.650 -2.611 28 HA PHE 5 HA PHE 5 8.205 0.209 -3.132 29 1HB PHE 5 1HB PHE 5 6.419 0.227 -4.823 30 2HB PHE 5 2HB PHE 5 6.245 1.943 -4.501 31 HD1 PHE 5 HD1 PHE 5 7.489 3.473 -5.867 32 HD2 PHE 5 HD2 PHE 5 8.680 -0.603 -5.755 33 HE1 PHE 5 HE1 PHE 5 9.176 3.907 -7.614 34 HE2 PHE 5 HE2 PHE 5 10.379 -0.173 -7.503 35 HZ PHE 5 HZ PHE 5 10.624 2.094 -8.417 36 H ASP 6 H ASP 6 7.023 3.551 -3.076 37 HA ASP 6 HA ASP 6 9.422 4.856 -3.645 38 1HB ASP 6 1HB ASP 6 7.060 5.575 -1.837 39 2HB ASP 6 2HB ASP 6 8.180 6.715 -2.482 40 H LYS 7 H LYS 7 7.957 3.910 -0.711 41 HA LYS 7 HA LYS 7 9.960 4.740 1.114 42 1HB LYS 7 1HB LYS 7 7.639 4.005 1.728 43 2HB LYS 7 2HB LYS 7 8.025 2.362 1.259 44 1HG LYS 7 1HG LYS 7 9.894 2.350 2.987 45 2HG LYS 7 2HG LYS 7 9.401 3.964 3.442 46 1HD LYS 7 1HD LYS 7 7.113 3.189 4.034 47 2HD LYS 7 2HD LYS 7 7.499 1.564 3.550 48 1HE LYS 7 1HE LYS 7 9.033 3.032 5.721 49 2HE LYS 7 2HE LYS 7 7.660 1.978 6.047 50 1HZ LYS 7 1HZ LYS 7 10.353 1.254 5.462 51 2HZ LYS 7 2HZ LYS 7 9.380 0.687 4.245 52 3HZ LYS 7 3HZ LYS 7 9.059 0.204 5.846 53 H ALA 8 H ALA 8 9.446 1.695 -0.700 54 HA ALA 8 HA ALA 8 11.709 0.343 0.418 55 1HB ALA 8 1HB ALA 8 9.958 -0.718 -1.012 56 2HB ALA 8 2HB ALA 8 11.547 -1.103 -1.629 57 3HB ALA 8 3HB ALA 8 10.561 0.106 -2.440 58 H ALA 9 H ALA 9 11.446 2.470 -2.506 59 HA ALA 9 HA ALA 9 14.191 2.419 -3.133 60 1HB ALA 9 1HB ALA 9 13.667 4.685 -4.268 61 2HB ALA 9 2HB ALA 9 12.138 4.673 -3.436 62 3HB ALA 9 3HB ALA 9 12.483 3.430 -4.617 63 H GLU 10 H GLU 10 12.557 4.840 -1.084 64 HA GLU 10 HA GLU 10 14.878 6.327 -0.260 65 1HB GLU 10 1HB GLU 10 12.576 5.478 1.581 66 2HB GLU 10 2HB GLU 10 13.598 6.890 1.779 67 1HG GLU 10 1HG GLU 10 12.633 7.806 -0.415 68 2HG GLU 10 2HG GLU 10 11.536 6.457 -0.418 69 H GLU 11 H GLU 11 13.486 3.438 1.170 70 HA GLU 11 HA GLU 11 15.605 3.156 3.042 71 1HB GLU 11 1HB GLU 11 13.669 1.170 1.895 72 2HB GLU 11 2HB GLU 11 14.700 0.859 3.294 73 1HG GLU 11 1HG GLU 11 13.539 3.519 3.656 74 2HG GLU 11 2HG GLU 11 12.258 2.478 3.193 75 H VAL 12 H VAL 12 15.341 1.619 -0.257 76 HA VAL 12 HA VAL 12 17.669 0.028 -0.030 77 HB VAL 12 HB VAL 12 15.677 0.143 -1.896 78 1HG1 VAL 12 1HG1 VAL 12 16.608 0.861 -4.081 79 2HG1 VAL 12 2HG1 VAL 12 18.021 1.531 -3.327 80 3HG1 VAL 12 3HG1 VAL 12 16.446 2.245 -3.039 81 1HG2 VAL 12 1HG2 VAL 12 17.334 -1.706 -1.650 82 2HG2 VAL 12 2HG2 VAL 12 18.513 -0.720 -2.530 83 3HG2 VAL 12 3HG2 VAL 12 17.069 -1.289 -3.330 84 H LYS 13 H LYS 13 17.168 3.308 -1.342 85 HA LYS 13 HA LYS 13 19.840 3.638 -2.180 86 1HB LYS 13 1HB LYS 13 17.759 5.625 -1.146 87 2HB LYS 13 2HB LYS 13 19.188 6.003 -2.106 88 1HG LYS 13 1HG LYS 13 18.405 4.465 -3.893 89 2HG LYS 13 2HG LYS 13 16.884 4.258 -3.080 90 1HD LYS 13 1HD LYS 13 17.942 6.513 -4.648 91 2HD LYS 13 2HD LYS 13 16.331 5.912 -4.574 92 1HE LYS 13 1HE LYS 13 15.992 8.019 -3.603 93 2HE LYS 13 2HE LYS 13 16.243 7.014 -2.187 94 1HZ LYS 13 1HZ LYS 13 18.048 8.406 -1.714 95 2HZ LYS 13 2HZ LYS 13 18.055 9.056 -3.255 96 3HZ LYS 13 3HZ LYS 13 18.754 7.616 -3.021 97 H HIS 14 H HIS 14 18.416 3.496 0.866 98 HA HIS 14 HA HIS 14 20.758 4.718 2.238 99 1HB HIS 14 1HB HIS 14 18.098 3.603 3.308 100 2HB HIS 14 2HB HIS 14 19.421 4.020 4.373 101 HD1 HIS 14 HD1 HIS 14 16.710 5.628 2.553 102 HD2 HIS 14 HD2 HIS 14 20.216 6.827 4.258 103 HE1 HIS 14 HE1 HIS 14 16.573 8.077 2.756 104 H LEU 15 H LEU 15 20.313 1.859 0.889 105 HA LEU 15 HA LEU 15 21.305 -0.051 2.847 106 1HB LEU 15 1HB LEU 15 21.147 -0.145 -0.189 107 2HB LEU 15 2HB LEU 15 21.979 -1.434 0.649 108 HG LEU 15 HG LEU 15 19.155 -0.613 1.259 109 1HD1 LEU 15 1HD1 LEU 15 19.499 -1.685 -1.041 110 2HD1 LEU 15 2HD1 LEU 15 18.601 -2.766 0.023 111 3HD1 LEU 15 3HD1 LEU 15 20.311 -3.033 -0.277 112 1HD2 LEU 15 1HD2 LEU 15 19.166 -2.853 2.396 113 2HD2 LEU 15 2HD2 LEU 15 20.382 -1.819 3.113 114 3HD2 LEU 15 3HD2 LEU 15 20.854 -3.066 1.974 115 H LYS 16 H LYS 16 22.936 2.091 3.018 116 HA LYS 16 HA LYS 16 25.253 2.678 2.240 117 1HB LYS 16 1HB LYS 16 26.189 2.482 4.627 118 2HB LYS 16 2HB LYS 16 24.633 3.257 4.498 119 1HG LYS 16 1HG LYS 16 23.512 1.635 5.625 120 2HG LYS 16 2HG LYS 16 24.318 0.331 4.823 121 1HD LYS 16 1HD LYS 16 25.640 1.983 7.045 122 2HD LYS 16 2HD LYS 16 24.707 0.533 7.364 123 1HE LYS 16 1HE LYS 16 26.259 -0.727 5.793 124 2HE LYS 16 2HE LYS 16 27.252 0.718 5.668 125 1HZ LYS 16 1HZ LYS 16 26.750 0.286 8.396 126 2HZ LYS 16 2HZ LYS 16 28.219 0.159 7.617 127 3HZ LYS 16 3HZ LYS 16 27.238 -1.209 7.767 128 H THR 17 H THR 17 24.776 -0.575 3.031 129 HA THR 17 HA THR 17 27.590 -1.329 2.833 130 HB THR 17 HB THR 17 25.127 -3.190 2.818 131 HG1 THR 17 HG1 THR 17 25.208 -3.137 5.003 132 1HG2 THR 17 1HG2 THR 17 26.752 -4.744 3.837 133 2HG2 THR 17 2HG2 THR 17 27.952 -3.464 3.932 134 3HG2 THR 17 3HG2 THR 17 27.487 -4.115 2.366 135 H LYS 18 H LYS 18 27.423 -0.178 0.838 136 HA LYS 18 HA LYS 18 26.535 -0.249 -1.723 137 1HB LYS 18 1HB LYS 18 29.382 -0.930 -0.996 138 2HB LYS 18 2HB LYS 18 28.942 -0.932 -2.686 139 1HG LYS 18 1HG LYS 18 28.186 1.479 -2.378 140 2HG LYS 18 2HG LYS 18 28.908 1.412 -0.770 141 1HD LYS 18 1HD LYS 18 31.118 0.940 -1.695 142 2HD LYS 18 2HD LYS 18 30.475 0.630 -3.294 143 1HE LYS 18 1HE LYS 18 29.797 3.034 -3.480 144 2HE LYS 18 2HE LYS 18 30.530 3.358 -1.911 145 1HZ LYS 18 1HZ LYS 18 32.535 3.524 -2.918 146 2HZ LYS 18 2HZ LYS 18 31.843 3.218 -4.426 147 3HZ LYS 18 3HZ LYS 18 32.400 1.938 -3.471 148 HA PRO 19 HA PRO 19 25.665 -4.749 -1.736 149 1HB PRO 19 1HB PRO 19 23.730 -3.741 -3.831 150 2HB PRO 19 2HB PRO 19 23.480 -4.979 -2.635 151 1HG PRO 19 1HG PRO 19 22.487 -2.572 -2.029 152 2HG PRO 19 2HG PRO 19 23.434 -3.407 -0.780 153 1HD PRO 19 1HD PRO 19 24.434 -1.211 -2.674 154 2HD PRO 19 2HD PRO 19 24.616 -1.328 -0.903 155 H ALA 20 H ALA 20 25.734 -6.379 -3.317 156 HA ALA 20 HA ALA 20 28.001 -5.878 -5.128 157 1HB ALA 20 1HB ALA 20 27.774 -8.027 -3.876 158 2HB ALA 20 2HB ALA 20 27.774 -8.340 -5.605 159 3HB ALA 20 3HB ALA 20 26.261 -8.367 -4.719 160 H ASP 21 H ASP 21 27.961 -5.886 -7.321 161 HA ASP 21 HA ASP 21 26.038 -4.513 -8.660 162 1HB ASP 21 1HB ASP 21 28.043 -6.665 -9.608 163 2HB ASP 21 2HB ASP 21 27.283 -5.512 -10.700 164 H GLU 22 H GLU 22 26.101 -8.184 -8.903 165 HA GLU 22 HA GLU 22 23.807 -8.311 -10.430 166 1HB GLU 22 1HB GLU 22 24.333 -10.171 -8.038 167 2HB GLU 22 2HB GLU 22 23.495 -10.602 -9.505 168 1HG GLU 22 1HG GLU 22 25.583 -11.593 -9.926 169 2HG GLU 22 2HG GLU 22 25.854 -10.021 -10.649 170 H GLU 23 H GLU 23 23.926 -7.656 -7.045 171 HA GLU 23 HA GLU 23 21.006 -7.899 -6.786 172 1HB GLU 23 1HB GLU 23 23.265 -6.973 -4.981 173 2HB GLU 23 2HB GLU 23 21.630 -6.806 -4.458 174 1HG GLU 23 1HG GLU 23 23.058 -9.349 -5.333 175 2HG GLU 23 2HG GLU 23 22.556 -9.049 -3.668 176 H MET 24 H MET 24 23.380 -5.350 -6.800 177 HA MET 24 HA MET 24 21.756 -3.061 -6.692 178 1HB MET 24 1HB MET 24 24.229 -3.729 -8.346 179 2HB MET 24 2HB MET 24 23.664 -2.116 -8.360 180 1HG MET 24 1HG MET 24 23.976 -2.205 -5.766 181 2HG MET 24 2HG MET 24 24.824 -3.693 -6.071 182 1HE MET 24 1HE MET 24 26.420 0.344 -5.995 183 2HE MET 24 2HE MET 24 24.770 -0.154 -5.764 184 3HE MET 24 3HE MET 24 25.308 0.359 -7.359 185 H LEU 25 H LEU 25 22.721 -4.872 -9.460 186 HA LEU 25 HA LEU 25 21.458 -3.857 -11.640 187 1HB LEU 25 1HB LEU 25 22.357 -6.547 -10.674 188 2HB LEU 25 2HB LEU 25 21.511 -6.546 -12.153 189 HG LEU 25 HG LEU 25 24.078 -5.088 -11.467 190 1HD1 LEU 25 1HD1 LEU 25 25.057 -6.511 -13.254 191 2HD1 LEU 25 2HD1 LEU 25 23.540 -7.397 -13.343 192 3HD1 LEU 25 3HD1 LEU 25 24.491 -7.390 -11.879 193 1HD2 LEU 25 1HD2 LEU 25 22.579 -5.232 -14.142 194 2HD2 LEU 25 2HD2 LEU 25 24.146 -4.473 -13.925 195 3HD2 LEU 25 3HD2 LEU 25 22.718 -3.749 -13.218 196 H PHE 26 H PHE 26 20.086 -6.421 -9.603 197 HA PHE 26 HA PHE 26 17.530 -6.488 -10.904 198 1HB PHE 26 1HB PHE 26 18.316 -8.213 -9.288 199 2HB PHE 26 2HB PHE 26 18.189 -7.040 -7.983 200 HD1 PHE 26 HD1 PHE 26 15.690 -5.830 -7.899 201 HD2 PHE 26 HD2 PHE 26 16.483 -9.683 -9.553 202 HE1 PHE 26 HE1 PHE 26 13.354 -6.417 -7.658 203 HE2 PHE 26 HE2 PHE 26 14.104 -10.258 -9.284 204 HZ PHE 26 HZ PHE 26 12.526 -8.591 -8.318 205 H ILE 27 H ILE 27 18.484 -4.815 -7.897 206 HA ILE 27 HA ILE 27 16.024 -3.389 -7.587 207 HB ILE 27 HB ILE 27 18.869 -3.079 -6.687 208 1HG1 ILE 27 1HG1 ILE 27 17.372 -4.598 -5.488 209 2HG1 ILE 27 2HG1 ILE 27 17.821 -3.240 -4.465 210 1HG2 ILE 27 1HG2 ILE 27 18.303 -0.733 -7.059 211 2HG2 ILE 27 2HG2 ILE 27 18.372 -1.088 -5.341 212 3HG2 ILE 27 3HG2 ILE 27 16.846 -0.898 -6.107 213 1HD1 ILE 27 1HD1 ILE 27 15.099 -3.486 -5.842 214 2HD1 ILE 27 2HD1 ILE 27 15.650 -2.170 -4.820 215 3HD1 ILE 27 3HD1 ILE 27 15.467 -3.784 -4.176 216 H TYR 28 H TYR 28 18.900 -2.320 -9.377 217 HA TYR 28 HA TYR 28 17.917 0.192 -10.229 218 1HB TYR 28 1HB TYR 28 20.247 -0.539 -10.533 219 2HB TYR 28 2HB TYR 28 19.739 -1.834 -11.590 220 HD1 TYR 28 HD1 TYR 28 18.835 -1.255 -13.925 221 HD2 TYR 28 HD2 TYR 28 20.468 1.728 -11.327 222 HE1 TYR 28 HE1 TYR 28 19.095 0.280 -15.801 223 HE2 TYR 28 HE2 TYR 28 20.717 3.224 -13.252 224 HH TYR 28 HH TYR 28 19.852 3.537 -15.390 225 H SER 29 H SER 29 17.846 -2.867 -12.095 226 HA SER 29 HA SER 29 16.138 -2.026 -14.174 227 1HB SER 29 1HB SER 29 15.556 -4.564 -14.365 228 2HB SER 29 2HB SER 29 17.277 -4.269 -14.219 229 HG SER 29 HG SER 29 17.174 -4.639 -12.055 230 H HIS 30 H HIS 30 15.155 -3.782 -11.379 231 HA HIS 30 HA HIS 30 12.344 -3.627 -11.732 232 1HB HIS 30 1HB HIS 30 14.178 -3.985 -9.320 233 2HB HIS 30 2HB HIS 30 12.424 -4.022 -9.162 234 HD1 HIS 30 HD1 HIS 30 15.026 -5.593 -11.443 235 HD2 HIS 30 HD2 HIS 30 11.309 -6.335 -9.932 236 HE1 HIS 30 HE1 HIS 30 14.373 -7.858 -12.239 237 H TYR 31 H TYR 31 14.426 -1.399 -9.806 238 HA TYR 31 HA TYR 31 12.444 0.387 -9.089 239 1HB TYR 31 1HB TYR 31 14.739 0.344 -8.267 240 2HB TYR 31 2HB TYR 31 15.329 0.864 -9.792 241 HD1 TYR 31 HD1 TYR 31 15.564 2.968 -10.184 242 HD2 TYR 31 HD2 TYR 31 12.782 1.896 -7.202 243 HE1 TYR 31 HE1 TYR 31 15.145 5.348 -9.747 244 HE2 TYR 31 HE2 TYR 31 12.362 4.294 -6.712 245 HH TYR 31 HH TYR 31 12.897 6.411 -7.295 246 H LYS 32 H LYS 32 14.748 0.794 -11.755 247 HA LYS 32 HA LYS 32 13.748 2.970 -13.164 248 1HB LYS 32 1HB LYS 32 14.913 0.385 -14.237 249 2HB LYS 32 2HB LYS 32 14.755 1.856 -15.148 250 1HG LYS 32 1HG LYS 32 16.245 2.022 -12.515 251 2HG LYS 32 2HG LYS 32 17.039 1.220 -13.826 252 1HD LYS 32 1HD LYS 32 17.849 3.324 -14.060 253 2HD LYS 32 2HD LYS 32 16.584 3.373 -15.248 254 1HE LYS 32 1HE LYS 32 15.504 5.090 -14.156 255 2HE LYS 32 2HE LYS 32 15.771 4.340 -12.587 256 1HZ LYS 32 1HZ LYS 32 17.563 6.393 -13.776 257 2HZ LYS 32 2HZ LYS 32 18.316 4.998 -13.536 258 3HZ LYS 32 3HZ LYS 32 17.532 5.735 -12.304 259 H GLN 33 H GLN 33 12.752 -0.363 -13.618 260 HA GLN 33 HA GLN 33 10.679 0.219 -15.532 261 1HB GLN 33 1HB GLN 33 11.839 -2.081 -14.367 262 2HB GLN 33 2HB GLN 33 10.199 -2.148 -13.781 263 1HG GLN 33 1HG GLN 33 11.075 -1.718 -16.587 264 2HG GLN 33 2HG GLN 33 10.484 -3.275 -16.014 265 1HE2 GLN 33 1HE2 GLN 33 9.138 -1.571 -18.236 266 2HE2 GLN 33 2HE2 GLN 33 7.579 -1.322 -17.587 267 H ALA 34 H ALA 34 10.376 -0.691 -12.080 268 HA ALA 34 HA ALA 34 7.751 0.034 -11.591 269 1HB ALA 34 1HB ALA 34 9.260 -1.173 -10.017 270 2HB ALA 34 2HB ALA 34 8.531 0.224 -9.243 271 3HB ALA 34 3HB ALA 34 10.185 0.296 -9.825 272 H THR 35 H THR 35 10.227 2.265 -12.239 273 HA THR 35 HA THR 35 8.581 4.540 -11.175 274 HB THR 35 HB THR 35 10.788 5.893 -11.623 275 HG1 THR 35 HG1 THR 35 11.604 3.212 -11.814 276 1HG2 THR 35 1HG2 THR 35 11.188 3.374 -9.931 277 2HG2 THR 35 2HG2 THR 35 10.335 4.788 -9.318 278 3HG2 THR 35 3HG2 THR 35 12.005 4.922 -9.819 279 H VAL 36 H VAL 36 10.544 3.820 -14.034 280 HA VAL 36 HA VAL 36 8.965 5.852 -15.556 281 HB VAL 36 HB VAL 36 11.499 4.211 -16.538 282 1HG1 VAL 36 1HG1 VAL 36 10.144 6.763 -17.574 283 2HG1 VAL 36 2HG1 VAL 36 9.984 5.182 -18.331 284 3HG1 VAL 36 3HG1 VAL 36 11.547 5.956 -18.248 285 1HG2 VAL 36 1HG2 VAL 36 12.047 5.544 -14.563 286 2HG2 VAL 36 2HG2 VAL 36 11.382 6.979 -15.327 287 3HG2 VAL 36 3HG2 VAL 36 12.785 6.177 -16.024 288 H GLY 37 H GLY 37 9.937 2.621 -15.845 289 1HA GLY 37 1HA GLY 37 8.417 0.690 -16.312 290 2HA GLY 37 2HA GLY 37 7.565 1.709 -17.498 291 H ASP 38 H ASP 38 8.476 2.082 -19.500 292 HA ASP 38 HA ASP 38 10.546 0.310 -20.363 293 1HB ASP 38 1HB ASP 38 9.448 2.716 -21.901 294 2HB ASP 38 2HB ASP 38 10.022 1.187 -22.559 295 H ILE 39 H ILE 39 12.290 0.857 -21.488 296 HA ILE 39 HA ILE 39 13.926 3.038 -20.294 297 HB ILE 39 HB ILE 39 14.632 0.582 -20.144 298 1HG1 ILE 39 1HG1 ILE 39 16.575 2.034 -21.994 299 2HG1 ILE 39 2HG1 ILE 39 16.333 2.537 -20.329 300 1HG2 ILE 39 1HG2 ILE 39 14.772 0.821 -23.190 301 2HG2 ILE 39 2HG2 ILE 39 13.642 -0.177 -22.277 302 3HG2 ILE 39 3HG2 ILE 39 15.350 -0.546 -22.272 303 1HD1 ILE 39 1HD1 ILE 39 16.860 0.203 -19.546 304 2HD1 ILE 39 2HD1 ILE 39 18.196 0.840 -20.456 305 3HD1 ILE 39 3HD1 ILE 39 17.118 -0.320 -21.186 306 H ASN 40 H ASN 40 14.370 4.808 -21.725 307 HA ASN 40 HA ASN 40 13.737 4.401 -24.595 308 1HB ASN 40 1HB ASN 40 12.566 6.693 -24.380 309 2HB ASN 40 2HB ASN 40 11.754 5.387 -23.519 310 1HD2 ASN 40 1HD2 ASN 40 12.095 5.285 -21.112 311 2HD2 ASN 40 2HD2 ASN 40 12.535 6.734 -20.342 312 H THR 41 H THR 41 16.208 4.636 -22.903 313 HA THR 41 HA THR 41 17.517 6.959 -24.245 314 HB THR 41 HB THR 41 19.157 6.903 -22.358 315 HG1 THR 41 HG1 THR 41 18.402 4.966 -20.910 316 1HG2 THR 41 1HG2 THR 41 17.734 6.896 -20.283 317 2HG2 THR 41 2HG2 THR 41 16.513 5.907 -21.047 318 3HG2 THR 41 3HG2 THR 41 16.732 7.565 -21.554 319 H GLU 42 H GLU 42 20.132 6.171 -24.316 320 HA GLU 42 HA GLU 42 20.024 3.719 -26.002 321 1HB GLU 42 1HB GLU 42 21.693 6.229 -26.235 322 2HB GLU 42 2HB GLU 42 22.065 4.763 -27.141 323 1HG GLU 42 1HG GLU 42 19.686 4.660 -27.830 324 2HG GLU 42 2HG GLU 42 19.437 6.252 -27.078 325 H ARG 43 H ARG 43 21.172 2.158 -25.787 326 HA ARG 43 HA ARG 43 22.322 1.050 -23.678 327 1HB ARG 43 1HB ARG 43 22.086 0.141 -26.014 328 2HB ARG 43 2HB ARG 43 23.684 0.783 -26.353 329 1HG ARG 43 1HG ARG 43 24.768 -0.715 -24.902 330 2HG ARG 43 2HG ARG 43 23.431 -0.755 -23.761 331 1HD ARG 43 1HD ARG 43 22.100 -2.065 -25.460 332 2HD ARG 43 2HD ARG 43 23.555 -2.223 -26.406 333 HE ARG 43 HE ARG 43 23.349 -3.179 -23.512 334 1HH1 ARG 43 1HH1 ARG 43 25.274 -3.288 -26.164 335 2HH1 ARG 43 2HH1 ARG 43 25.629 -4.986 -26.028 336 1HH2 ARG 43 1HH2 ARG 43 23.301 -5.227 -23.466 337 2HH2 ARG 43 2HH2 ARG 43 24.400 -6.169 -24.393 338 HA PRO 44 HA PRO 44 25.368 4.104 -22.247 339 1HB PRO 44 1HB PRO 44 25.555 1.652 -20.455 340 2HB PRO 44 2HB PRO 44 25.799 3.349 -19.990 341 1HG PRO 44 1HG PRO 44 23.339 2.417 -19.613 342 2HG PRO 44 2HG PRO 44 23.439 3.925 -20.533 343 1HD PRO 44 1HD PRO 44 23.116 1.079 -21.592 344 2HD PRO 44 2HD PRO 44 22.265 2.567 -22.100 345 H GLY 45 H GLY 45 27.578 4.458 -22.211 346 1HA GLY 45 1HA GLY 45 29.110 2.557 -23.875 347 2HA GLY 45 2HA GLY 45 29.559 4.208 -23.516 348 H MET 46 H MET 46 31.388 2.791 -23.577 349 HA MET 46 HA MET 46 32.737 1.067 -22.266 350 1HB MET 46 1HB MET 46 34.717 2.486 -22.378 351 2HB MET 46 2HB MET 46 33.708 2.720 -23.778 352 1HG MET 46 1HG MET 46 32.760 4.784 -22.692 353 2HG MET 46 2HG MET 46 33.832 4.541 -21.339 354 1HE MET 46 1HE MET 46 36.134 4.179 -21.535 355 2HE MET 46 2HE MET 46 36.801 5.789 -21.740 356 3HE MET 46 3HE MET 46 37.178 4.496 -22.904 357 H LEU 47 H LEU 47 31.080 1.184 -20.080 358 HA LEU 47 HA LEU 47 32.935 1.255 -17.907 359 1HB LEU 47 1HB LEU 47 31.454 3.559 -18.259 360 2HB LEU 47 2HB LEU 47 30.212 2.565 -17.533 361 HG LEU 47 HG LEU 47 31.215 3.662 -15.690 362 1HD1 LEU 47 1HD1 LEU 47 32.308 1.870 -14.393 363 2HD1 LEU 47 2HD1 LEU 47 32.736 1.002 -15.844 364 3HD1 LEU 47 3HD1 LEU 47 31.064 1.135 -15.378 365 1HD2 LEU 47 1HD2 LEU 47 33.193 4.510 -16.911 366 2HD2 LEU 47 2HD2 LEU 47 33.917 2.922 -16.873 367 3HD2 LEU 47 3HD2 LEU 47 33.682 3.800 -15.376 368 H ASP 48 H ASP 48 31.993 -0.354 -19.697 369 HA ASP 48 HA ASP 48 29.981 -1.796 -20.189 370 1HB ASP 48 1HB ASP 48 32.622 -2.756 -19.046 371 2HB ASP 48 2HB ASP 48 31.546 -3.798 -19.982 372 H PHE 49 H PHE 49 31.369 -3.056 -17.292 373 HA PHE 49 HA PHE 49 29.035 -4.486 -16.563 374 1HB PHE 49 1HB PHE 49 30.185 -5.056 -14.524 375 2HB PHE 49 2HB PHE 49 31.502 -4.716 -15.631 376 HD1 PHE 49 HD1 PHE 49 32.481 -2.249 -15.553 377 HD2 PHE 49 HD2 PHE 49 29.987 -3.913 -12.511 378 HE1 PHE 49 HE1 PHE 49 33.258 -0.543 -13.962 379 HE2 PHE 49 HE2 PHE 49 30.753 -2.229 -10.952 380 HZ PHE 49 HZ PHE 49 32.383 -0.535 -11.647 381 H LYS 50 H LYS 50 29.993 -1.384 -15.456 382 HA LYS 50 HA LYS 50 27.476 -1.157 -13.871 383 1HB LYS 50 1HB LYS 50 29.831 -0.261 -13.065 384 2HB LYS 50 2HB LYS 50 29.584 1.057 -14.181 385 1HG LYS 50 1HG LYS 50 27.694 0.544 -11.869 386 2HG LYS 50 2HG LYS 50 29.094 1.569 -11.739 387 1HD LYS 50 1HD LYS 50 27.929 2.803 -13.916 388 2HD LYS 50 2HD LYS 50 26.490 2.086 -13.192 389 1HE LYS 50 1HE LYS 50 26.785 3.185 -11.094 390 2HE LYS 50 2HE LYS 50 28.339 3.850 -11.592 391 1HZ LYS 50 1HZ LYS 50 25.794 5.015 -11.997 392 2HZ LYS 50 2HZ LYS 50 26.344 4.496 -13.512 393 3HZ LYS 50 3HZ LYS 50 27.314 5.537 -12.586 394 H GLY 51 H GLY 51 28.373 -0.372 -16.974 395 1HA GLY 51 1HA GLY 51 26.394 1.847 -17.230 396 2HA GLY 51 2HA GLY 51 27.541 1.369 -18.458 397 H LYS 52 H LYS 52 27.090 -1.111 -19.063 398 HA LYS 52 HA LYS 52 24.401 -1.054 -20.261 399 1HB LYS 52 1HB LYS 52 26.834 -2.807 -20.656 400 2HB LYS 52 2HB LYS 52 25.362 -2.961 -21.609 401 1HG LYS 52 1HG LYS 52 25.858 -1.070 -22.876 402 2HG LYS 52 2HG LYS 52 26.320 -0.154 -21.473 403 1HD LYS 52 1HD LYS 52 28.246 -0.436 -22.945 404 2HD LYS 52 2HD LYS 52 28.524 -1.208 -21.408 405 1HE LYS 52 1HE LYS 52 28.096 -3.412 -22.355 406 2HE LYS 52 2HE LYS 52 27.555 -2.703 -23.874 407 1HZ LYS 52 1HZ LYS 52 29.757 -2.572 -24.536 408 2HZ LYS 52 2HZ LYS 52 30.267 -3.257 -23.064 409 3HZ LYS 52 3HZ LYS 52 30.119 -1.672 -23.151 410 H ALA 53 H ALA 53 26.122 -3.241 -18.315 411 HA ALA 53 HA ALA 53 24.404 -5.470 -18.257 412 1HB ALA 53 1HB ALA 53 26.500 -5.378 -16.886 413 2HB ALA 53 2HB ALA 53 25.161 -5.874 -15.860 414 3HB ALA 53 3HB ALA 53 25.721 -4.215 -15.830 415 H LYS 54 H LYS 54 24.015 -2.551 -16.319 416 HA LYS 54 HA LYS 54 21.507 -3.331 -15.097 417 1HB LYS 54 1HB LYS 54 21.730 -1.277 -13.948 418 2HB LYS 54 2HB LYS 54 23.387 -1.719 -14.299 419 1HG LYS 54 1HG LYS 54 23.205 -0.318 -16.469 420 2HG LYS 54 2HG LYS 54 21.653 0.276 -15.880 421 1HD LYS 54 1HD LYS 54 22.877 0.923 -13.766 422 2HD LYS 54 2HD LYS 54 24.338 0.544 -14.652 423 1HE LYS 54 1HE LYS 54 22.338 2.860 -15.042 424 2HE LYS 54 2HE LYS 54 24.076 2.923 -14.951 425 1HZ LYS 54 1HZ LYS 54 24.133 2.958 -17.202 426 2HZ LYS 54 2HZ LYS 54 22.405 2.691 -17.197 427 3HZ LYS 54 3HZ LYS 54 23.541 1.399 -17.242 428 H TRP 55 H TRP 55 22.177 -1.845 -18.260 429 HA TRP 55 HA TRP 55 19.645 -0.497 -18.523 430 1HB TRP 55 1HB TRP 55 22.084 0.156 -19.171 431 2HB TRP 55 2HB TRP 55 21.968 -1.012 -20.424 432 HD1 TRP 55 HD1 TRP 55 20.586 2.538 -19.587 433 HE1 TRP 55 HE1 TRP 55 19.492 3.312 -21.769 434 HE3 TRP 55 HE3 TRP 55 20.841 -1.702 -22.211 435 HZ2 TRP 55 HZ2 TRP 55 18.822 2.278 -24.350 436 HZ3 TRP 55 HZ3 TRP 55 19.975 -1.845 -24.533 437 HH2 TRP 55 HH2 TRP 55 18.967 0.151 -25.607 438 H ASP 56 H ASP 56 21.520 -3.205 -19.283 439 HA ASP 56 HA ASP 56 19.954 -4.513 -21.311 440 1HB ASP 56 1HB ASP 56 22.340 -4.927 -19.456 441 2HB ASP 56 2HB ASP 56 21.681 -6.380 -20.055 442 H ALA 57 H ALA 57 20.718 -5.207 -17.958 443 HA ALA 57 HA ALA 57 18.787 -6.872 -17.034 444 1HB ALA 57 1HB ALA 57 19.879 -4.436 -15.549 445 2HB ALA 57 2HB ALA 57 20.688 -6.005 -15.670 446 3HB ALA 57 3HB ALA 57 19.175 -5.851 -14.786 447 H TRP 58 H TRP 58 18.251 -3.502 -17.693 448 HA TRP 58 HA TRP 58 15.448 -3.587 -16.648 449 1HB TRP 58 1HB TRP 58 16.759 -1.624 -15.943 450 2HB TRP 58 2HB TRP 58 17.176 -1.257 -17.584 451 HD1 TRP 58 HD1 TRP 58 13.487 -2.315 -16.848 452 HE1 TRP 58 HE1 TRP 58 12.140 -0.166 -17.273 453 HE3 TRP 58 HE3 TRP 58 17.123 1.123 -17.347 454 HZ2 TRP 58 HZ2 TRP 58 12.401 2.525 -17.719 455 HZ3 TRP 58 HZ3 TRP 58 16.499 3.574 -17.748 456 HH2 TRP 58 HH2 TRP 58 14.225 4.239 -17.967 457 H ASN 59 H ASN 59 17.203 -3.241 -19.627 458 HA ASN 59 HA ASN 59 15.030 -2.483 -21.383 459 1HB ASN 59 1HB ASN 59 17.513 -2.489 -22.108 460 2HB ASN 59 2HB ASN 59 17.475 -4.244 -22.136 461 1HD2 ASN 59 1HD2 ASN 59 17.278 -4.832 -24.354 462 2HD2 ASN 59 2HD2 ASN 59 16.275 -4.010 -25.460 463 H GLU 60 H GLU 60 16.410 -5.431 -20.292 464 HA GLU 60 HA GLU 60 14.805 -7.362 -21.535 465 1HB GLU 60 1HB GLU 60 16.978 -7.739 -20.307 466 2HB GLU 60 2HB GLU 60 16.170 -7.340 -18.802 467 1HG GLU 60 1HG GLU 60 14.679 -9.309 -19.000 468 2HG GLU 60 2HG GLU 60 15.311 -9.663 -20.597 469 H LEU 61 H LEU 61 13.893 -5.182 -19.124 470 HA LEU 61 HA LEU 61 11.370 -6.688 -18.548 471 1HB LEU 61 1HB LEU 61 12.446 -4.497 -16.746 472 2HB LEU 61 2HB LEU 61 11.290 -5.758 -16.382 473 HG LEU 61 HG LEU 61 14.295 -6.162 -16.761 474 1HD1 LEU 61 1HD1 LEU 61 13.515 -5.020 -14.675 475 2HD1 LEU 61 2HD1 LEU 61 14.152 -6.623 -14.332 476 3HD1 LEU 61 3HD1 LEU 61 12.415 -6.348 -14.373 477 1HD2 LEU 61 1HD2 LEU 61 12.081 -8.131 -16.015 478 2HD2 LEU 61 2HD2 LEU 61 13.803 -8.476 -16.095 479 3HD2 LEU 61 3HD2 LEU 61 12.927 -8.086 -17.554 480 H LYS 62 H LYS 62 12.592 -4.159 -20.285 481 HA LYS 62 HA LYS 62 11.496 -1.885 -19.999 482 1HB LYS 62 1HB LYS 62 12.753 -2.571 -21.899 483 2HB LYS 62 2HB LYS 62 11.478 -3.659 -22.420 484 1HG LYS 62 1HG LYS 62 10.074 -1.289 -22.558 485 2HG LYS 62 2HG LYS 62 11.666 -0.626 -22.741 486 1HD LYS 62 1HD LYS 62 10.377 -2.855 -24.368 487 2HD LYS 62 2HD LYS 62 10.704 -1.235 -24.946 488 1HE LYS 62 1HE LYS 62 12.862 -3.244 -24.134 489 2HE LYS 62 2HE LYS 62 12.363 -2.880 -25.773 490 1HZ LYS 62 1HZ LYS 62 12.819 -0.394 -24.522 491 2HZ LYS 62 2HZ LYS 62 13.731 -1.169 -25.730 492 3HZ LYS 62 3HZ LYS 62 14.146 -1.401 -24.144 493 H GLY 63 H GLY 63 9.264 -4.424 -20.904 494 1HA GLY 63 1HA GLY 63 7.159 -2.336 -20.946 495 2HA GLY 63 2HA GLY 63 7.095 -3.850 -21.803 496 H THR 64 H THR 64 7.874 -3.249 -18.483 497 HA THR 64 HA THR 64 5.714 -5.168 -17.659 498 HB THR 64 HB THR 64 7.723 -3.880 -15.674 499 HG1 THR 64 HG1 THR 64 8.772 -4.954 -17.457 500 1HG2 THR 64 1HG2 THR 64 6.496 -6.656 -15.848 501 2HG2 THR 64 2HG2 THR 64 5.777 -5.397 -14.842 502 3HG2 THR 64 3HG2 THR 64 7.406 -5.963 -14.523 503 H SER 65 H SER 65 4.364 -4.449 -15.723 504 HA SER 65 HA SER 65 3.551 -1.616 -16.168 505 1HB SER 65 1HB SER 65 2.256 -3.894 -14.523 506 2HB SER 65 2HB SER 65 1.741 -2.203 -14.413 507 HG SER 65 HG SER 65 0.909 -3.879 -16.278 508 H LYS 66 H LYS 66 4.524 -0.165 -14.902 509 HA LYS 66 HA LYS 66 6.541 -0.225 -13.238 510 1HB LYS 66 1HB LYS 66 3.953 1.366 -12.827 511 2HB LYS 66 2HB LYS 66 5.479 1.798 -12.064 512 1HG LYS 66 1HG LYS 66 6.615 2.020 -14.232 513 2HG LYS 66 2HG LYS 66 5.204 1.498 -15.110 514 1HD LYS 66 1HD LYS 66 4.475 3.748 -13.398 515 2HD LYS 66 2HD LYS 66 5.938 4.153 -14.266 516 1HE LYS 66 1HE LYS 66 3.324 3.256 -15.545 517 2HE LYS 66 2HE LYS 66 4.003 4.887 -15.585 518 1HZ LYS 66 1HZ LYS 66 5.371 4.286 -17.305 519 2HZ LYS 66 2HZ LYS 66 4.631 2.744 -17.346 520 3HZ LYS 66 3HZ LYS 66 5.987 3.074 -16.385 521 H GLU 67 H GLU 67 3.396 -0.743 -12.023 522 HA GLU 67 HA GLU 67 3.593 -1.264 -9.394 523 1HB GLU 67 1HB GLU 67 1.935 -2.714 -11.497 524 2HB GLU 67 2HB GLU 67 1.515 -2.522 -9.830 525 1HG GLU 67 1HG GLU 67 1.658 -0.275 -11.948 526 2HG GLU 67 2HG GLU 67 0.252 -0.815 -11.076 527 H ASP 68 H ASP 68 3.836 -3.943 -11.803 528 HA ASP 68 HA ASP 68 4.373 -5.996 -9.995 529 1HB ASP 68 1HB ASP 68 4.983 -5.355 -12.926 530 2HB ASP 68 2HB ASP 68 5.271 -6.949 -12.296 531 H ALA 69 H ALA 69 6.305 -3.859 -11.706 532 HA ALA 69 HA ALA 69 8.901 -4.950 -10.961 533 1HB ALA 69 1HB ALA 69 8.182 -2.052 -11.684 534 2HB ALA 69 2HB ALA 69 8.548 -3.295 -12.842 535 3HB ALA 69 3HB ALA 69 9.799 -2.735 -11.742 536 H MET 70 H MET 70 6.673 -2.535 -9.556 537 HA MET 70 HA MET 70 8.352 -1.904 -7.330 538 1HB MET 70 1HB MET 70 5.233 -2.090 -7.318 539 2HB MET 70 2HB MET 70 6.166 -1.310 -6.094 540 1HG MET 70 1HG MET 70 7.067 0.215 -7.911 541 2HG MET 70 2HG MET 70 5.955 -0.570 -8.977 542 1HE MET 70 1HE MET 70 4.213 2.348 -9.411 543 2HE MET 70 2HE MET 70 5.606 1.410 -9.791 544 3HE MET 70 3HE MET 70 5.805 2.810 -8.730 545 H LYS 71 H LYS 71 5.716 -4.313 -7.414 546 HA LYS 71 HA LYS 71 6.163 -5.486 -4.952 547 1HB LYS 71 1HB LYS 71 5.567 -6.869 -7.644 548 2HB LYS 71 2HB LYS 71 5.414 -7.704 -6.103 549 1HG LYS 71 1HG LYS 71 4.004 -5.059 -6.264 550 2HG LYS 71 2HG LYS 71 3.407 -6.222 -7.403 551 1HD LYS 71 1HD LYS 71 3.659 -6.777 -4.390 552 2HD LYS 71 2HD LYS 71 2.210 -6.112 -5.124 553 1HE LYS 71 1HE LYS 71 2.210 -8.201 -6.660 554 2HE LYS 71 2HE LYS 71 3.432 -8.868 -5.587 555 1HZ LYS 71 1HZ LYS 71 1.367 -7.800 -4.004 556 2HZ LYS 71 2HZ LYS 71 1.796 -9.433 -4.125 557 3HZ LYS 71 3HZ LYS 71 0.622 -8.795 -5.161 558 H ALA 72 H ALA 72 7.708 -6.851 -7.810 559 HA ALA 72 HA ALA 72 9.716 -8.339 -6.412 560 1HB ALA 72 1HB ALA 72 10.721 -8.410 -8.819 561 2HB ALA 72 2HB ALA 72 9.621 -7.104 -9.240 562 3HB ALA 72 3HB ALA 72 9.001 -8.663 -8.759 563 H TYR 73 H TYR 73 9.869 -4.912 -7.403 564 HA TYR 73 HA TYR 73 12.633 -4.508 -6.836 565 1HB TYR 73 1HB TYR 73 11.277 -2.799 -7.989 566 2HB TYR 73 2HB TYR 73 10.203 -2.692 -6.614 567 HD1 TYR 73 HD1 TYR 73 10.650 -1.090 -4.912 568 HD2 TYR 73 HD2 TYR 73 13.719 -2.270 -7.602 569 HE1 TYR 73 HE1 TYR 73 12.095 0.695 -4.037 570 HE2 TYR 73 HE2 TYR 73 15.130 -0.533 -6.700 571 HH TYR 73 HH TYR 73 15.150 1.331 -5.627 572 H ILE 74 H ILE 74 9.841 -3.904 -4.931 573 HA ILE 74 HA ILE 74 10.982 -3.253 -2.419 574 HB ILE 74 HB ILE 74 8.299 -4.575 -3.077 575 1HG1 ILE 74 1HG1 ILE 74 8.891 -1.654 -2.566 576 2HG1 ILE 74 2HG1 ILE 74 8.826 -2.307 -4.188 577 1HG2 ILE 74 1HG2 ILE 74 9.193 -2.967 -0.581 578 2HG2 ILE 74 2HG2 ILE 74 8.925 -4.704 -0.625 579 3HG2 ILE 74 3HG2 ILE 74 7.591 -3.613 -0.861 580 1HD1 ILE 74 1HD1 ILE 74 6.516 -3.116 -3.773 581 2HD1 ILE 74 2HD1 ILE 74 6.608 -1.382 -3.550 582 3HD1 ILE 74 3HD1 ILE 74 6.541 -2.426 -2.162 583 H ASP 75 H ASP 75 9.819 -6.376 -3.630 584 HA ASP 75 HA ASP 75 10.516 -7.856 -1.259 585 1HB ASP 75 1HB ASP 75 9.647 -8.281 -4.096 586 2HB ASP 75 2HB ASP 75 10.274 -9.670 -3.313 587 H LYS 76 H LYS 76 12.325 -6.647 -3.898 588 HA LYS 76 HA LYS 76 14.562 -8.492 -3.369 589 1HB LYS 76 1HB LYS 76 14.024 -7.476 -5.666 590 2HB LYS 76 2HB LYS 76 14.598 -5.928 -5.085 591 1HG LYS 76 1HG LYS 76 16.579 -6.913 -6.009 592 2HG LYS 76 2HG LYS 76 16.742 -7.287 -4.307 593 1HD LYS 76 1HD LYS 76 15.352 -9.508 -4.931 594 2HD LYS 76 2HD LYS 76 15.859 -9.171 -6.552 595 1HE LYS 76 1HE LYS 76 17.722 -9.430 -4.183 596 2HE LYS 76 2HE LYS 76 17.359 -10.737 -5.296 597 1HZ LYS 76 1HZ LYS 76 19.075 -9.907 -6.570 598 2HZ LYS 76 2HZ LYS 76 19.195 -8.640 -5.588 599 3HZ LYS 76 3HZ LYS 76 18.079 -8.526 -6.887 600 H VAL 77 H VAL 77 13.678 -5.082 -2.914 601 HA VAL 77 HA VAL 77 15.958 -4.167 -1.464 602 HB VAL 77 HB VAL 77 12.991 -3.532 -0.810 603 1HG1 VAL 77 1HG1 VAL 77 15.578 -2.014 -0.126 604 2HG1 VAL 77 2HG1 VAL 77 14.625 -2.910 1.040 605 3HG1 VAL 77 3HG1 VAL 77 13.952 -1.487 0.278 606 1HG2 VAL 77 1HG2 VAL 77 13.682 -2.898 -3.171 607 2HG2 VAL 77 2HG2 VAL 77 15.072 -2.067 -2.505 608 3HG2 VAL 77 3HG2 VAL 77 13.468 -1.461 -2.194 609 H GLU 78 H GLU 78 13.007 -5.852 -0.277 610 HA GLU 78 HA GLU 78 13.749 -6.394 2.307 611 1HB GLU 78 1HB GLU 78 12.053 -7.566 0.151 612 2HB GLU 78 2HB GLU 78 12.310 -8.651 1.453 613 1HG GLU 78 1HG GLU 78 11.066 -5.842 1.552 614 2HG GLU 78 2HG GLU 78 10.247 -7.349 1.887 615 H GLU 79 H GLU 79 14.352 -8.602 -0.535 616 HA GLU 79 HA GLU 79 16.079 -10.331 0.827 617 1HB GLU 79 1HB GLU 79 15.844 -9.493 -2.032 618 2HB GLU 79 2HB GLU 79 17.374 -10.256 -1.656 619 1HG GLU 79 1HG GLU 79 14.622 -11.354 -1.071 620 2HG GLU 79 2HG GLU 79 15.733 -12.015 -2.273 621 H LEU 80 H LEU 80 17.152 -7.345 -0.688 622 HA LEU 80 HA LEU 80 19.968 -7.669 -0.150 623 1HB LEU 80 1HB LEU 80 18.282 -5.123 -0.330 624 2HB LEU 80 2HB LEU 80 20.028 -5.159 -0.493 625 HG LEU 80 HG LEU 80 17.943 -6.298 -2.370 626 1HD1 LEU 80 1HD1 LEU 80 20.214 -4.287 -2.545 627 2HD1 LEU 80 2HD1 LEU 80 18.516 -3.853 -2.405 628 3HD1 LEU 80 3HD1 LEU 80 19.117 -4.672 -3.857 629 1HD2 LEU 80 1HD2 LEU 80 20.940 -6.488 -2.545 630 2HD2 LEU 80 2HD2 LEU 80 19.774 -7.042 -3.759 631 3HD2 LEU 80 3HD2 LEU 80 19.893 -7.876 -2.235 632 H LYS 81 H LYS 81 17.406 -6.019 1.662 633 HA LYS 81 HA LYS 81 18.724 -5.000 3.785 634 1HB LYS 81 1HB LYS 81 16.288 -4.873 3.308 635 2HB LYS 81 2HB LYS 81 16.106 -6.576 3.598 636 1HG LYS 81 1HG LYS 81 16.674 -6.312 5.990 637 2HG LYS 81 2HG LYS 81 16.861 -4.600 5.712 638 1HD LYS 81 1HD LYS 81 14.507 -4.306 5.189 639 2HD LYS 81 2HD LYS 81 14.261 -6.001 4.893 640 1HE LYS 81 1HE LYS 81 13.281 -5.256 7.053 641 2HE LYS 81 2HE LYS 81 14.470 -6.525 7.280 642 1HZ LYS 81 1HZ LYS 81 15.766 -3.952 7.322 643 2HZ LYS 81 2HZ LYS 81 15.854 -5.059 8.443 644 3HZ LYS 81 3HZ LYS 81 14.602 -3.916 8.477 645 H LYS 82 H LYS 82 17.651 -8.373 3.666 646 HA LYS 82 HA LYS 82 18.750 -9.171 6.089 647 1HB LYS 82 1HB LYS 82 18.478 -10.848 3.572 648 2HB LYS 82 2HB LYS 82 18.481 -11.492 5.209 649 1HG LYS 82 1HG LYS 82 16.373 -9.901 5.561 650 2HG LYS 82 2HG LYS 82 16.348 -9.792 3.824 651 1HD LYS 82 1HD LYS 82 15.961 -12.292 5.481 652 2HD LYS 82 2HD LYS 82 14.802 -11.496 4.429 653 1HE LYS 82 1HE LYS 82 16.406 -11.960 2.510 654 2HE LYS 82 2HE LYS 82 17.289 -13.008 3.607 655 1HZ LYS 82 1HZ LYS 82 15.778 -14.650 3.182 656 2HZ LYS 82 2HZ LYS 82 15.027 -13.562 2.137 657 3HZ LYS 82 3HZ LYS 82 14.503 -13.661 3.766 658 H LYS 83 H LYS 83 20.257 -8.911 3.110 659 HA LYS 83 HA LYS 83 22.769 -10.278 3.797 660 1HB LYS 83 1HB LYS 83 22.109 -8.543 1.380 661 2HB LYS 83 2HB LYS 83 23.434 -9.689 1.528 662 1HG LYS 83 1HG LYS 83 21.915 -11.562 1.541 663 2HG LYS 83 2HG LYS 83 20.517 -10.530 1.772 664 1HD LYS 83 1HD LYS 83 20.831 -9.402 -0.322 665 2HD LYS 83 2HD LYS 83 22.302 -10.272 -0.711 666 1HE LYS 83 1HE LYS 83 19.507 -11.386 -0.370 667 2HE LYS 83 2HE LYS 83 20.323 -11.152 -1.911 668 1HZ LYS 83 1HZ LYS 83 21.360 -13.086 -1.672 669 2HZ LYS 83 2HZ LYS 83 20.521 -13.381 -0.215 670 3HZ LYS 83 3HZ LYS 83 22.043 -12.601 -0.201 671 H TYR 84 H TYR 84 21.836 -7.027 3.122 672 HA TYR 84 HA TYR 84 24.445 -5.913 3.746 673 1HB TYR 84 1HB TYR 84 21.795 -4.861 2.685 674 2HB TYR 84 2HB TYR 84 23.225 -3.831 2.758 675 HD1 TYR 84 HD1 TYR 84 25.464 -5.231 1.887 676 HD2 TYR 84 HD2 TYR 84 21.502 -5.971 0.536 677 HE1 TYR 84 HE1 TYR 84 26.333 -6.347 -0.105 678 HE2 TYR 84 HE2 TYR 84 22.410 -7.089 -1.435 679 HH TYR 84 HH TYR 84 25.382 -8.167 -1.730 680 H GLY 85 H GLY 85 21.374 -5.931 5.593 681 1HA GLY 85 1HA GLY 85 21.705 -5.647 7.994 682 2HA GLY 85 2HA GLY 85 22.961 -4.507 7.700 683 H ILE 86 H ILE 86 19.638 -4.154 6.355 684 HA ILE 86 HA ILE 86 19.316 -1.907 8.312 685 HB ILE 86 HB ILE 86 19.794 -1.167 5.966 686 1HG1 ILE 86 1HG1 ILE 86 16.846 -0.820 6.473 687 2HG1 ILE 86 2HG1 ILE 86 18.018 0.000 7.470 688 1HG2 ILE 86 1HG2 ILE 86 18.952 -3.118 4.744 689 2HG2 ILE 86 2HG2 ILE 86 18.218 -1.659 4.124 690 3HG2 ILE 86 3HG2 ILE 86 17.295 -2.689 5.196 691 1HD1 ILE 86 1HD1 ILE 86 17.225 1.511 5.641 692 2HD1 ILE 86 2HD1 ILE 86 17.736 0.384 4.407 693 3HD1 ILE 86 3HD1 ILE 86 18.933 1.165 5.422 694 AH2 COA 1 AH2 COA 1 17.424 0.900 -8.031 695 AH61 COA 1 AH61 COA 1 15.200 4.717 -5.279 696 AH62 COA 1 AH62 COA 1 14.902 2.982 -5.119 697 AH8 COA 1 AH8 COA 1 17.987 7.296 -8.382 698 AH1* COA 1 AH1* COA 1 18.928 4.632 -10.735 699 AH2* COA 1 AH2* COA 1 19.451 7.489 -9.680 700 AHO2 COA 1 AHO2 COA 1 18.753 7.436 -12.144 701 AH3* COA 1 AH3* COA 1 21.216 7.588 -11.266 702 AH4* COA 1 AH4* COA 1 22.213 5.187 -10.431 703 AH51 COA 1 AH51 COA 1 22.729 7.280 -9.061 704 AH52 COA 1 AH52 COA 1 22.540 5.844 -8.136 705 1H12 COA 1 1H12 COA 1 21.008 7.605 -2.236 706 2H12 COA 1 2H12 COA 1 21.714 8.721 -3.348 707 1H13 COA 1 1H13 COA 1 21.546 6.635 -5.602 708 2H13 COA 1 2H13 COA 1 23.158 5.968 -5.585 709 3H13 COA 1 3H13 COA 1 22.942 7.703 -5.410 710 1H14 COA 1 1H14 COA 1 22.330 4.465 -3.795 711 2H14 COA 1 2H14 COA 1 21.654 5.121 -2.316 712 3H14 COA 1 3H14 COA 1 20.743 5.221 -3.808 713 H10 COA 1 H10 COA 1 24.235 7.706 -3.235 714 HO1 COA 1 HO1 COA 1 24.004 5.377 -4.229 715 HN8 COA 1 HN8 COA 1 24.082 4.791 -1.721 716 1H7 COA 1 1H7 COA 1 22.952 5.421 0.856 717 2H7 COA 1 2H7 COA 1 23.877 3.979 0.447 718 1H6 COA 1 1H6 COA 1 25.222 5.328 2.064 719 2H6 COA 1 2H6 COA 1 24.872 6.785 1.131 720 HN4 COA 1 HN4 COA 1 25.743 3.977 -0.527 721 1H3 COA 1 1H3 COA 1 28.538 5.013 -0.921 722 2H3 COA 1 2H3 COA 1 28.082 3.317 -1.037 723 1H2 COA 1 1H2 COA 1 26.613 5.279 -2.773 724 2H2 COA 1 2H2 COA 1 28.242 4.905 -3.240 725 1H2 PLY 2 1H2 PLY 2 24.294 2.129 -4.683 726 2H2 PLY 2 2H2 PLY 2 25.016 0.775 -3.767 727 1H3 PLY 2 1H3 PLY 2 22.770 2.074 -2.332 728 2H3 PLY 2 2H3 PLY 2 23.111 0.389 -2.533 729 1H4 PLY 2 1H4 PLY 2 22.115 2.063 -4.896 730 2H4 PLY 2 2H4 PLY 2 20.942 1.461 -3.773 731 1H5 PLY 2 1H5 PLY 2 21.509 -0.894 -4.434 732 2H5 PLY 2 2H5 PLY 2 22.742 -0.308 -5.552 733 1H6 PLY 2 1H6 PLY 2 20.284 -0.932 -6.253 734 2H6 PLY 2 2H6 PLY 2 19.980 0.765 -5.845 735 1H7 PLY 2 1H7 PLY 2 20.483 0.471 -8.227 736 2H7 PLY 2 2H7 PLY 2 21.999 -0.318 -7.847 737 1H8 PLY 2 1H8 PLY 2 23.009 1.707 -7.080 738 2H8 PLY 2 2H8 PLY 2 21.458 2.481 -6.803 739 1H9 PLY 2 1H9 PLY 2 22.469 3.433 -8.820 740 2H9 PLY 2 2H9 PLY 2 20.968 2.631 -9.142 741 1HA PLY 2 1HA PLY 2 22.295 0.572 -9.790 742 2HA PLY 2 2HA PLY 2 22.438 1.952 -10.857 743 1HB PLY 2 1HB PLY 2 24.490 1.928 -8.715 744 2HB PLY 2 2HB PLY 2 24.620 2.318 -10.415 745 1HC PLY 2 1HC PLY 2 25.814 0.199 -9.970 746 2HC PLY 2 2HC PLY 2 24.397 -0.446 -9.192 747 1HD PLY 2 1HD PLY 2 23.144 -0.270 -11.454 748 2HD PLY 2 2HD PLY 2 24.671 0.162 -12.173 749 1HE PLY 2 1HE PLY 2 23.951 -2.359 -12.130 750 2HE PLY 2 2HE PLY 2 24.338 -2.299 -10.423 751 1HF PLY 2 1HF PLY 2 26.626 -2.186 -10.770 752 2HF PLY 2 2HF PLY 2 26.454 -1.154 -12.179 753 1HG PLY 2 1HG PLY 2 27.322 -3.368 -12.809 754 2HG PLY 2 2HG PLY 2 25.907 -4.149 -12.139 755 3HG PLY 2 3HG PLY 2 25.746 -3.085 -13.535 Start of MODEL 13 1 1H SER 1 1H SER 1 5.073 6.441 -7.403 2 2H SER 1 2H SER 1 5.315 7.283 -5.973 3 H SER 1 H SER 1 5.322 5.621 -5.910 4 HA SER 1 HA SER 1 3.111 7.378 -5.679 5 1HB SER 1 1HB SER 1 2.882 5.630 -8.195 6 2HB SER 1 2HB SER 1 1.624 6.679 -7.497 7 HG SER 1 HG SER 1 2.681 8.284 -8.501 8 H GLN 2 H GLN 2 3.896 3.920 -6.313 9 HA GLN 2 HA GLN 2 1.650 3.097 -4.525 10 1HB GLN 2 1HB GLN 2 2.282 1.665 -6.566 11 2HB GLN 2 2HB GLN 2 3.877 1.423 -5.904 12 1HG GLN 2 1HG GLN 2 2.201 0.646 -3.722 13 2HG GLN 2 2HG GLN 2 1.326 0.042 -5.124 14 1HE2 GLN 2 1HE2 GLN 2 4.615 0.061 -3.771 15 2HE2 GLN 2 2HE2 GLN 2 4.920 -1.586 -4.217 16 H ALA 3 H ALA 3 2.767 4.604 -3.283 17 HA ALA 3 HA ALA 3 4.986 5.181 -2.036 18 1HB ALA 3 1HB ALA 3 3.777 5.250 0.177 19 2HB ALA 3 2HB ALA 3 2.538 4.228 -0.520 20 3HB ALA 3 3HB ALA 3 2.807 5.830 -1.158 21 H GLU 4 H GLU 4 3.613 2.113 -1.441 22 HA GLU 4 HA GLU 4 5.186 0.950 0.515 23 1HB GLU 4 1HB GLU 4 3.444 0.056 -1.581 24 2HB GLU 4 2HB GLU 4 4.806 -1.021 -1.422 25 1HG GLU 4 1HG GLU 4 2.998 -0.192 0.906 26 2HG GLU 4 2HG GLU 4 3.032 -1.775 0.167 27 H PHE 5 H PHE 5 5.780 1.215 -2.633 28 HA PHE 5 HA PHE 5 8.419 0.009 -2.910 29 1HB PHE 5 1HB PHE 5 6.819 -0.345 -4.583 30 2HB PHE 5 2HB PHE 5 6.338 1.306 -4.511 31 HD1 PHE 5 HD1 PHE 5 7.377 2.984 -5.808 32 HD2 PHE 5 HD2 PHE 5 9.198 -0.846 -5.632 33 HE1 PHE 5 HE1 PHE 5 8.944 3.654 -7.581 34 HE2 PHE 5 HE2 PHE 5 10.773 -0.203 -7.430 35 HZ PHE 5 HZ PHE 5 10.638 2.074 -8.396 36 H ASP 6 H ASP 6 7.169 3.310 -2.968 37 HA ASP 6 HA ASP 6 9.580 4.536 -3.830 38 1HB ASP 6 1HB ASP 6 7.158 5.407 -2.143 39 2HB ASP 6 2HB ASP 6 8.218 6.504 -2.955 40 H LYS 7 H LYS 7 8.073 3.821 -0.919 41 HA LYS 7 HA LYS 7 9.761 4.696 1.125 42 1HB LYS 7 1HB LYS 7 7.613 3.952 1.774 43 2HB LYS 7 2HB LYS 7 7.650 2.601 0.675 44 1HG LYS 7 1HG LYS 7 9.170 1.307 2.096 45 2HG LYS 7 2HG LYS 7 9.203 2.607 3.280 46 1HD LYS 7 1HD LYS 7 6.987 2.166 3.988 47 2HD LYS 7 2HD LYS 7 6.474 1.606 2.414 48 1HE LYS 7 1HE LYS 7 8.311 -0.011 4.209 49 2HE LYS 7 2HE LYS 7 6.571 -0.232 4.150 50 1HZ LYS 7 1HZ LYS 7 6.731 -1.358 2.243 51 2HZ LYS 7 2HZ LYS 7 8.431 -1.323 2.329 52 3HZ LYS 7 3HZ LYS 7 7.560 -0.161 1.464 53 H ALA 8 H ALA 8 9.613 1.754 -0.691 54 HA ALA 8 HA ALA 8 11.866 0.436 0.647 55 1HB ALA 8 1HB ALA 8 10.069 -0.812 -0.577 56 2HB ALA 8 2HB ALA 8 11.630 -1.244 -1.220 57 3HB ALA 8 3HB ALA 8 10.592 -0.128 -2.109 58 H ALA 9 H ALA 9 11.584 2.189 -2.601 59 HA ALA 9 HA ALA 9 14.202 2.046 -3.256 60 1HB ALA 9 1HB ALA 9 12.193 4.339 -3.462 61 2HB ALA 9 2HB ALA 9 12.397 3.043 -4.617 62 3HB ALA 9 3HB ALA 9 13.610 4.299 -4.460 63 H GLU 10 H GLU 10 12.833 4.619 -1.217 64 HA GLU 10 HA GLU 10 15.377 5.887 -0.661 65 1HB GLU 10 1HB GLU 10 12.786 5.713 0.931 66 2HB GLU 10 2HB GLU 10 14.122 6.704 1.484 67 1HG GLU 10 1HG GLU 10 14.098 7.781 -0.923 68 2HG GLU 10 2HG GLU 10 12.612 6.906 -1.183 69 H GLU 11 H GLU 11 13.596 3.293 1.109 70 HA GLU 11 HA GLU 11 15.529 2.862 3.096 71 1HB GLU 11 1HB GLU 11 13.752 0.884 1.685 72 2HB GLU 11 2HB GLU 11 14.751 0.482 3.062 73 1HG GLU 11 1HG GLU 11 13.460 3.005 3.704 74 2HG GLU 11 2HG GLU 11 12.272 1.943 3.048 75 H VAL 12 H VAL 12 15.565 1.449 -0.269 76 HA VAL 12 HA VAL 12 17.877 -0.185 0.091 77 HB VAL 12 HB VAL 12 16.013 0.112 -1.882 78 1HG1 VAL 12 1HG1 VAL 12 17.058 2.158 -2.908 79 2HG1 VAL 12 2HG1 VAL 12 17.097 0.780 -3.974 80 3HG1 VAL 12 3HG1 VAL 12 18.557 1.267 -3.140 81 1HG2 VAL 12 1HG2 VAL 12 18.810 -1.051 -2.116 82 2HG2 VAL 12 2HG2 VAL 12 17.482 -1.438 -3.191 83 3HG2 VAL 12 3HG2 VAL 12 17.377 -1.861 -1.491 84 H LYS 13 H LYS 13 17.333 3.085 -1.092 85 HA LYS 13 HA LYS 13 19.971 3.788 -1.656 86 1HB LYS 13 1HB LYS 13 17.523 5.340 -0.670 87 2HB LYS 13 2HB LYS 13 18.977 6.093 -1.226 88 1HG LYS 13 1HG LYS 13 18.139 4.200 -3.264 89 2HG LYS 13 2HG LYS 13 16.718 5.069 -2.728 90 1HD LYS 13 1HD LYS 13 19.257 6.361 -3.744 91 2HD LYS 13 2HD LYS 13 17.792 6.201 -4.636 92 1HE LYS 13 1HE LYS 13 17.234 8.246 -3.824 93 2HE LYS 13 2HE LYS 13 16.916 7.449 -2.289 94 1HZ LYS 13 1HZ LYS 13 18.916 9.261 -2.916 95 2HZ LYS 13 2HZ LYS 13 19.761 7.937 -2.855 96 3HZ LYS 13 3HZ LYS 13 18.812 8.428 -1.435 97 H HIS 14 H HIS 14 18.213 3.501 1.236 98 HA HIS 14 HA HIS 14 20.437 4.659 2.876 99 1HB HIS 14 1HB HIS 14 17.691 3.635 3.684 100 2HB HIS 14 2HB HIS 14 18.864 4.274 4.818 101 HD1 HIS 14 HD1 HIS 14 16.305 5.350 2.508 102 HD2 HIS 14 HD2 HIS 14 19.455 7.144 4.373 103 HE1 HIS 14 HE1 HIS 14 15.924 7.803 2.332 104 H LEU 15 H LEU 15 19.665 1.630 1.684 105 HA LEU 15 HA LEU 15 20.594 0.040 3.961 106 1HB LEU 15 1HB LEU 15 20.400 -0.630 1.001 107 2HB LEU 15 2HB LEU 15 20.849 -1.811 2.193 108 HG LEU 15 HG LEU 15 18.146 -0.509 2.013 109 1HD1 LEU 15 1HD1 LEU 15 18.813 -2.104 0.102 110 2HD1 LEU 15 2HD1 LEU 15 17.552 -2.830 1.098 111 3HD1 LEU 15 3HD1 LEU 15 19.235 -3.289 1.312 112 1HD2 LEU 15 1HD2 LEU 15 18.491 -1.216 4.189 113 2HD2 LEU 15 2HD2 LEU 15 19.273 -2.694 3.696 114 3HD2 LEU 15 3HD2 LEU 15 17.524 -2.453 3.456 115 H LYS 16 H LYS 16 22.266 1.823 3.759 116 HA LYS 16 HA LYS 16 24.326 2.681 2.784 117 1HB LYS 16 1HB LYS 16 23.517 2.959 4.992 118 2HB LYS 16 2HB LYS 16 24.010 1.352 5.444 119 1HG LYS 16 1HG LYS 16 26.392 2.011 5.321 120 2HG LYS 16 2HG LYS 16 25.937 3.626 4.778 121 1HD LYS 16 1HD LYS 16 24.630 3.829 6.951 122 2HD LYS 16 2HD LYS 16 25.187 2.222 7.396 123 1HE LYS 16 1HE LYS 16 27.547 2.963 7.314 124 2HE LYS 16 2HE LYS 16 27.039 4.557 6.761 125 1HZ LYS 16 1HZ LYS 16 26.683 5.151 8.889 126 2HZ LYS 16 2HZ LYS 16 27.193 3.634 9.439 127 3HZ LYS 16 3HZ LYS 16 25.558 3.891 9.054 128 H THR 17 H THR 17 24.406 -0.080 1.825 129 HA THR 17 HA THR 17 27.355 -0.443 1.683 130 HB THR 17 HB THR 17 25.329 -2.693 1.804 131 HG1 THR 17 HG1 THR 17 25.604 -2.722 3.990 132 1HG2 THR 17 1HG2 THR 17 27.715 -3.314 1.042 133 2HG2 THR 17 2HG2 THR 17 27.247 -4.058 2.561 134 3HG2 THR 17 3HG2 THR 17 28.288 -2.653 2.573 135 H LYS 18 H LYS 18 27.897 -0.778 -0.536 136 HA LYS 18 HA LYS 18 25.715 -0.519 -2.501 137 1HB LYS 18 1HB LYS 18 27.458 -0.163 -4.173 138 2HB LYS 18 2HB LYS 18 28.101 0.588 -2.737 139 1HG LYS 18 1HG LYS 18 29.506 -1.474 -2.302 140 2HG LYS 18 2HG LYS 18 28.893 -2.175 -3.783 141 1HD LYS 18 1HD LYS 18 29.822 -0.283 -5.134 142 2HD LYS 18 2HD LYS 18 30.512 0.417 -3.677 143 1HE LYS 18 1HE LYS 18 31.897 -1.657 -3.329 144 2HE LYS 18 2HE LYS 18 31.183 -2.381 -4.760 145 1HZ LYS 18 1HZ LYS 18 32.121 0.137 -5.510 146 2HZ LYS 18 2HZ LYS 18 32.749 -1.358 -5.986 147 3HZ LYS 18 3HZ LYS 18 33.377 -0.583 -4.614 148 HA PRO 19 HA PRO 19 25.606 -4.987 -2.034 149 1HB PRO 19 1HB PRO 19 23.378 -4.686 -4.083 150 2HB PRO 19 2HB PRO 19 23.372 -5.641 -2.599 151 1HG PRO 19 1HG PRO 19 22.082 -3.332 -2.452 152 2HG PRO 19 2HG PRO 19 23.289 -3.610 -1.191 153 1HD PRO 19 1HD PRO 19 23.785 -2.129 -3.819 154 2HD PRO 19 2HD PRO 19 23.947 -1.487 -2.177 155 H ALA 20 H ALA 20 25.550 -6.982 -3.907 156 HA ALA 20 HA ALA 20 27.818 -6.258 -5.536 157 1HB ALA 20 1HB ALA 20 26.085 -8.765 -5.344 158 2HB ALA 20 2HB ALA 20 27.565 -8.483 -4.440 159 3HB ALA 20 3HB ALA 20 27.622 -8.663 -6.187 160 H ASP 21 H ASP 21 27.845 -6.499 -7.809 161 HA ASP 21 HA ASP 21 26.029 -4.976 -9.188 162 1HB ASP 21 1HB ASP 21 27.636 -7.354 -10.381 163 2HB ASP 21 2HB ASP 21 27.235 -5.825 -11.183 164 H GLU 22 H GLU 22 25.761 -8.592 -9.365 165 HA GLU 22 HA GLU 22 23.488 -8.440 -10.949 166 1HB GLU 22 1HB GLU 22 23.783 -10.483 -8.625 167 2HB GLU 22 2HB GLU 22 22.930 -10.766 -10.123 168 1HG GLU 22 1HG GLU 22 25.169 -10.704 -11.325 169 2HG GLU 22 2HG GLU 22 25.955 -10.623 -9.763 170 H GLU 23 H GLU 23 23.461 -8.688 -7.419 171 HA GLU 23 HA GLU 23 20.605 -8.336 -7.240 172 1HB GLU 23 1HB GLU 23 22.867 -7.848 -5.098 173 2HB GLU 23 2HB GLU 23 21.210 -7.540 -4.735 174 1HG GLU 23 1HG GLU 23 20.992 -10.128 -5.704 175 2HG GLU 23 2HG GLU 23 22.687 -10.144 -5.261 176 H MET 24 H MET 24 23.250 -5.932 -7.449 177 HA MET 24 HA MET 24 21.690 -3.616 -6.991 178 1HB MET 24 1HB MET 24 24.216 -4.350 -8.504 179 2HB MET 24 2HB MET 24 23.602 -2.749 -8.677 180 1HG MET 24 1HG MET 24 24.065 -3.994 -5.984 181 2HG MET 24 2HG MET 24 25.385 -3.277 -6.845 182 1HE MET 24 1HE MET 24 25.532 -1.145 -7.687 183 2HE MET 24 2HE MET 24 26.077 -0.720 -6.062 184 3HE MET 24 3HE MET 24 24.917 0.299 -6.939 185 H LEU 25 H LEU 25 22.651 -5.128 -9.946 186 HA LEU 25 HA LEU 25 21.347 -3.864 -11.975 187 1HB LEU 25 1HB LEU 25 22.209 -6.668 -11.333 188 2HB LEU 25 2HB LEU 25 21.416 -6.485 -12.813 189 HG LEU 25 HG LEU 25 23.973 -5.192 -11.850 190 1HD1 LEU 25 1HD1 LEU 25 23.427 -7.028 -14.168 191 2HD1 LEU 25 2HD1 LEU 25 24.202 -7.452 -12.645 192 3HD1 LEU 25 3HD1 LEU 25 24.976 -6.324 -13.740 193 1HD2 LEU 25 1HD2 LEU 25 24.107 -4.153 -14.191 194 2HD2 LEU 25 2HD2 LEU 25 22.706 -3.514 -13.366 195 3HD2 LEU 25 3HD2 LEU 25 22.519 -4.806 -14.537 196 H PHE 26 H PHE 26 20.021 -6.497 -10.023 197 HA PHE 26 HA PHE 26 17.395 -6.457 -11.200 198 1HB PHE 26 1HB PHE 26 18.224 -8.252 -9.670 199 2HB PHE 26 2HB PHE 26 18.160 -7.160 -8.303 200 HD1 PHE 26 HD1 PHE 26 16.371 -9.608 -10.072 201 HD2 PHE 26 HD2 PHE 26 15.723 -5.904 -8.041 202 HE1 PHE 26 HE1 PHE 26 13.989 -10.147 -9.789 203 HE2 PHE 26 HE2 PHE 26 13.390 -6.457 -7.772 204 HZ PHE 26 HZ PHE 26 12.500 -8.527 -8.628 205 H ILE 27 H ILE 27 18.386 -5.060 -8.034 206 HA ILE 27 HA ILE 27 16.106 -3.489 -7.589 207 HB ILE 27 HB ILE 27 19.012 -3.138 -6.907 208 1HG1 ILE 27 1HG1 ILE 27 17.635 -4.695 -5.583 209 2HG1 ILE 27 2HG1 ILE 27 18.179 -3.312 -4.632 210 1HG2 ILE 27 1HG2 ILE 27 18.271 -0.758 -7.184 211 2HG2 ILE 27 2HG2 ILE 27 18.508 -1.151 -5.495 212 3HG2 ILE 27 3HG2 ILE 27 16.903 -1.080 -6.130 213 1HD1 ILE 27 1HD1 ILE 27 15.946 -2.278 -4.743 214 2HD1 ILE 27 2HD1 ILE 27 15.813 -3.895 -4.124 215 3HD1 ILE 27 3HD1 ILE 27 15.309 -3.563 -5.756 216 H TYR 28 H TYR 28 18.967 -2.300 -9.372 217 HA TYR 28 HA TYR 28 17.878 0.229 -10.110 218 1HB TYR 28 1HB TYR 28 20.228 -0.337 -10.518 219 2HB TYR 28 2HB TYR 28 19.782 -1.616 -11.620 220 HD1 TYR 28 HD1 TYR 28 19.702 2.136 -11.152 221 HD2 TYR 28 HD2 TYR 28 19.327 -1.120 -13.885 222 HE1 TYR 28 HE1 TYR 28 19.750 3.695 -13.047 223 HE2 TYR 28 HE2 TYR 28 19.370 0.443 -15.755 224 HH TYR 28 HH TYR 28 19.574 3.922 -15.227 225 H SER 29 H SER 29 17.987 -2.612 -12.365 226 HA SER 29 HA SER 29 16.279 -1.674 -14.323 227 1HB SER 29 1HB SER 29 15.475 -4.074 -14.641 228 2HB SER 29 2HB SER 29 17.210 -3.963 -14.518 229 HG SER 29 HG SER 29 17.019 -4.402 -12.279 230 H HIS 30 H HIS 30 15.203 -3.461 -11.540 231 HA HIS 30 HA HIS 30 12.418 -3.178 -11.937 232 1HB HIS 30 1HB HIS 30 14.177 -3.705 -9.534 233 2HB HIS 30 2HB HIS 30 12.417 -3.661 -9.402 234 HD1 HIS 30 HD1 HIS 30 14.932 -5.266 -11.772 235 HD2 HIS 30 HD2 HIS 30 11.263 -6.028 -10.131 236 HE1 HIS 30 HE1 HIS 30 14.253 -7.507 -12.563 237 H TYR 31 H TYR 31 14.422 -1.028 -9.740 238 HA TYR 31 HA TYR 31 12.303 0.747 -9.221 239 1HB TYR 31 1HB TYR 31 14.414 0.710 -8.023 240 2HB TYR 31 2HB TYR 31 15.284 1.242 -9.444 241 HD1 TYR 31 HD1 TYR 31 12.624 2.265 -6.955 242 HD2 TYR 31 HD2 TYR 31 15.348 3.446 -9.993 243 HE1 TYR 31 HE1 TYR 31 12.158 4.638 -6.454 244 HE2 TYR 31 HE2 TYR 31 14.885 5.796 -9.487 245 HH TYR 31 HH TYR 31 13.573 6.906 -6.823 246 H LYS 32 H LYS 32 14.646 0.781 -11.870 247 HA LYS 32 HA LYS 32 13.735 3.261 -13.061 248 1HB LYS 32 1HB LYS 32 15.026 0.809 -14.320 249 2HB LYS 32 2HB LYS 32 14.822 2.305 -15.187 250 1HG LYS 32 1HG LYS 32 16.517 1.844 -12.661 251 2HG LYS 32 2HG LYS 32 17.118 2.036 -14.278 252 1HD LYS 32 1HD LYS 32 15.656 4.292 -12.815 253 2HD LYS 32 2HD LYS 32 17.388 4.106 -12.750 254 1HE LYS 32 1HE LYS 32 17.470 4.292 -15.244 255 2HE LYS 32 2HE LYS 32 15.761 4.677 -15.225 256 1HZ LYS 32 1HZ LYS 32 17.971 6.366 -14.656 257 2HZ LYS 32 2HZ LYS 32 17.153 6.404 -13.314 258 3HZ LYS 32 3HZ LYS 32 16.376 6.863 -14.745 259 H GLN 33 H GLN 33 12.866 -0.082 -13.930 260 HA GLN 33 HA GLN 33 10.778 0.729 -15.799 261 1HB GLN 33 1HB GLN 33 9.713 -1.550 -15.537 262 2HB GLN 33 2HB GLN 33 11.419 -1.668 -15.873 263 1HG GLN 33 1HG GLN 33 11.901 -2.061 -13.511 264 2HG GLN 33 2HG GLN 33 10.257 -1.792 -13.045 265 1HE2 GLN 33 1HE2 GLN 33 10.393 -3.636 -15.887 266 2HE2 GLN 33 2HE2 GLN 33 10.081 -5.124 -15.119 267 H ALA 34 H ALA 34 10.640 -0.130 -12.413 268 HA ALA 34 HA ALA 34 7.935 0.110 -11.819 269 1HB ALA 34 1HB ALA 34 10.299 0.936 -10.149 270 2HB ALA 34 2HB ALA 34 9.667 -0.692 -10.203 271 3HB ALA 34 3HB ALA 34 8.690 0.598 -9.525 272 H THR 35 H THR 35 10.280 2.756 -12.255 273 HA THR 35 HA THR 35 8.135 4.687 -11.501 274 HB THR 35 HB THR 35 10.016 6.364 -11.311 275 HG1 THR 35 HG1 THR 35 11.648 4.117 -11.664 276 1HG2 THR 35 1HG2 THR 35 9.625 4.862 -9.289 277 2HG2 THR 35 2HG2 THR 35 11.298 5.356 -9.488 278 3HG2 THR 35 3HG2 THR 35 10.804 3.724 -9.918 279 H VAL 36 H VAL 36 10.475 4.036 -14.093 280 HA VAL 36 HA VAL 36 9.243 6.159 -15.758 281 HB VAL 36 HB VAL 36 11.753 4.346 -16.358 282 1HG1 VAL 36 1HG1 VAL 36 10.476 5.076 -18.449 283 2HG1 VAL 36 2HG1 VAL 36 12.041 5.848 -18.323 284 3HG1 VAL 36 3HG1 VAL 36 10.593 6.738 -17.909 285 1HG2 VAL 36 1HG2 VAL 36 12.984 6.380 -16.029 286 2HG2 VAL 36 2HG2 VAL 36 12.118 5.964 -14.555 287 3HG2 VAL 36 3HG2 VAL 36 11.530 7.264 -15.590 288 H GLY 37 H GLY 37 10.013 2.815 -16.029 289 1HA GLY 37 1HA GLY 37 8.341 1.085 -16.742 290 2HA GLY 37 2HA GLY 37 7.690 2.269 -17.894 291 H ASP 38 H ASP 38 8.561 2.228 -19.991 292 HA ASP 38 HA ASP 38 10.441 0.204 -20.688 293 1HB ASP 38 1HB ASP 38 9.429 2.643 -22.260 294 2HB ASP 38 2HB ASP 38 10.337 1.340 -22.987 295 H ILE 39 H ILE 39 12.298 0.836 -22.214 296 HA ILE 39 HA ILE 39 14.014 2.776 -20.707 297 HB ILE 39 HB ILE 39 14.657 0.258 -21.044 298 1HG1 ILE 39 1HG1 ILE 39 16.758 1.998 -22.369 299 2HG1 ILE 39 2HG1 ILE 39 16.230 2.435 -20.754 300 1HG2 ILE 39 1HG2 ILE 39 14.016 0.009 -23.482 301 2HG2 ILE 39 2HG2 ILE 39 15.712 -0.325 -23.225 302 3HG2 ILE 39 3HG2 ILE 39 15.241 1.189 -23.912 303 1HD1 ILE 39 1HD1 ILE 39 17.313 -0.329 -21.573 304 2HD1 ILE 39 2HD1 ILE 39 16.735 0.103 -19.974 305 3HD1 ILE 39 3HD1 ILE 39 18.171 0.855 -20.611 306 H ASN 40 H ASN 40 13.830 4.811 -21.689 307 HA ASN 40 HA ASN 40 13.067 4.892 -24.546 308 1HB ASN 40 1HB ASN 40 12.257 7.155 -23.894 309 2HB ASN 40 2HB ASN 40 11.607 5.950 -22.783 310 1HD2 ASN 40 1HD2 ASN 40 12.637 8.973 -22.566 311 2HD2 ASN 40 2HD2 ASN 40 13.500 8.858 -21.096 312 H THR 41 H THR 41 15.694 4.381 -23.392 313 HA THR 41 HA THR 41 17.297 6.550 -24.706 314 HB THR 41 HB THR 41 18.769 6.598 -22.800 315 HG1 THR 41 HG1 THR 41 19.768 4.599 -23.317 316 1HG2 THR 41 1HG2 THR 41 17.987 5.535 -20.727 317 2HG2 THR 41 2HG2 THR 41 16.900 4.480 -21.605 318 3HG2 THR 41 3HG2 THR 41 16.544 6.205 -21.491 319 H GLU 42 H GLU 42 19.571 5.615 -25.223 320 HA GLU 42 HA GLU 42 19.196 3.100 -26.773 321 1HB GLU 42 1HB GLU 42 20.974 3.959 -28.244 322 2HB GLU 42 2HB GLU 42 19.845 5.273 -27.986 323 1HG GLU 42 1HG GLU 42 21.356 6.357 -26.370 324 2HG GLU 42 2HG GLU 42 22.392 4.929 -26.362 325 H ARG 43 H ARG 43 21.144 1.729 -26.724 326 HA ARG 43 HA ARG 43 21.949 1.130 -24.181 327 1HB ARG 43 1HB ARG 43 21.436 -0.393 -25.815 328 2HB ARG 43 2HB ARG 43 22.771 0.103 -26.834 329 1HG ARG 43 1HG ARG 43 24.390 -0.773 -25.226 330 2HG ARG 43 2HG ARG 43 23.137 -1.010 -24.008 331 1HD ARG 43 1HD ARG 43 21.996 -2.642 -25.539 332 2HD ARG 43 2HD ARG 43 23.315 -2.459 -26.677 333 HE ARG 43 HE ARG 43 24.885 -3.245 -24.885 334 1HH1 ARG 43 1HH1 ARG 43 21.560 -4.059 -24.269 335 2HH1 ARG 43 2HH1 ARG 43 22.069 -5.427 -23.359 336 1HH2 ARG 43 1HH2 ARG 43 25.389 -4.857 -23.766 337 2HH2 ARG 43 2HH2 ARG 43 24.125 -5.777 -23.008 338 HA PRO 44 HA PRO 44 25.455 3.599 -22.963 339 1HB PRO 44 1HB PRO 44 26.505 1.125 -21.750 340 2HB PRO 44 2HB PRO 44 26.035 2.634 -20.980 341 1HG PRO 44 1HG PRO 44 24.407 0.200 -21.432 342 2HG PRO 44 2HG PRO 44 24.046 1.558 -20.378 343 1HD PRO 44 1HD PRO 44 22.690 1.018 -22.548 344 2HD PRO 44 2HD PRO 44 22.887 2.718 -22.124 345 H GLY 45 H GLY 45 26.236 1.160 -25.119 346 1HA GLY 45 1HA GLY 45 28.392 0.474 -26.062 347 2HA GLY 45 2HA GLY 45 28.255 2.120 -26.598 348 H MET 46 H MET 46 29.226 3.718 -24.905 349 HA MET 46 HA MET 46 31.983 3.530 -24.681 350 1HB MET 46 1HB MET 46 30.022 4.853 -22.733 351 2HB MET 46 2HB MET 46 31.749 5.170 -22.722 352 1HG MET 46 1HG MET 46 31.665 6.205 -24.851 353 2HG MET 46 2HG MET 46 30.061 5.610 -25.197 354 1HE MET 46 1HE MET 46 31.833 7.644 -22.251 355 2HE MET 46 2HE MET 46 31.223 9.222 -22.688 356 3HE MET 46 3HE MET 46 32.244 8.368 -23.827 357 H LEU 47 H LEU 47 30.094 3.074 -21.744 358 HA LEU 47 HA LEU 47 32.201 1.259 -20.650 359 1HB LEU 47 1HB LEU 47 29.762 2.604 -19.413 360 2HB LEU 47 2HB LEU 47 30.647 1.366 -18.555 361 HG LEU 47 HG LEU 47 32.757 2.781 -18.924 362 1HD1 LEU 47 1HD1 LEU 47 32.373 5.190 -19.399 363 2HD1 LEU 47 2HD1 LEU 47 30.672 4.885 -19.680 364 3HD1 LEU 47 3HD1 LEU 47 31.886 4.224 -20.767 365 1HD2 LEU 47 1HD2 LEU 47 32.186 4.307 -17.072 366 2HD2 LEU 47 2HD2 LEU 47 31.549 2.705 -16.746 367 3HD2 LEU 47 3HD2 LEU 47 30.481 4.001 -17.310 368 H ASP 48 H ASP 48 31.441 -0.702 -19.440 369 HA ASP 48 HA ASP 48 29.309 -2.090 -20.976 370 1HB ASP 48 1HB ASP 48 31.901 -3.320 -19.899 371 2HB ASP 48 2HB ASP 48 30.744 -4.100 -20.949 372 H PHE 49 H PHE 49 31.099 -3.001 -18.111 373 HA PHE 49 HA PHE 49 28.949 -4.361 -16.854 374 1HB PHE 49 1HB PHE 49 30.378 -4.548 -14.914 375 2HB PHE 49 2HB PHE 49 31.518 -4.438 -16.246 376 HD1 PHE 49 HD1 PHE 49 32.405 -2.007 -16.841 377 HD2 PHE 49 HD2 PHE 49 30.419 -2.987 -13.189 378 HE1 PHE 49 HE1 PHE 49 33.276 0.031 -15.839 379 HE2 PHE 49 HE2 PHE 49 31.268 -0.964 -12.160 380 HZ PHE 49 HZ PHE 49 32.731 0.584 -13.481 381 H LYS 50 H LYS 50 29.941 -1.140 -16.608 382 HA LYS 50 HA LYS 50 27.874 -0.514 -14.597 383 1HB LYS 50 1HB LYS 50 30.295 0.498 -14.670 384 2HB LYS 50 2HB LYS 50 29.728 1.499 -15.971 385 1HG LYS 50 1HG LYS 50 29.593 2.798 -13.908 386 2HG LYS 50 2HG LYS 50 27.969 2.459 -14.455 387 1HD LYS 50 1HD LYS 50 27.646 0.688 -12.860 388 2HD LYS 50 2HD LYS 50 29.345 0.585 -12.467 389 1HE LYS 50 1HE LYS 50 27.590 2.984 -11.798 390 2HE LYS 50 2HE LYS 50 27.938 1.678 -10.672 391 1HZ LYS 50 1HZ LYS 50 29.580 3.883 -11.273 392 2HZ LYS 50 2HZ LYS 50 30.313 2.513 -11.936 393 3HZ LYS 50 3HZ LYS 50 29.961 2.553 -10.272 394 H GLY 51 H GLY 51 28.153 -0.350 -17.939 395 1HA GLY 51 1HA GLY 51 25.711 1.388 -18.129 396 2HA GLY 51 2HA GLY 51 26.905 1.205 -19.404 397 H LYS 52 H LYS 52 27.063 -1.214 -20.361 398 HA LYS 52 HA LYS 52 24.474 -1.867 -21.228 399 1HB LYS 52 1HB LYS 52 26.916 -3.564 -20.978 400 2HB LYS 52 2HB LYS 52 25.457 -3.959 -21.868 401 1HG LYS 52 1HG LYS 52 25.785 -2.027 -23.399 402 2HG LYS 52 2HG LYS 52 26.877 -1.230 -22.292 403 1HD LYS 52 1HD LYS 52 28.444 -2.881 -22.412 404 2HD LYS 52 2HD LYS 52 27.537 -3.939 -23.471 405 1HE LYS 52 1HE LYS 52 28.785 -2.881 -25.123 406 2HE LYS 52 2HE LYS 52 27.573 -1.615 -24.953 407 1HZ LYS 52 1HZ LYS 52 30.324 -1.505 -24.345 408 2HZ LYS 52 2HZ LYS 52 29.622 -1.352 -22.930 409 3HZ LYS 52 3HZ LYS 52 29.262 -0.230 -24.079 410 H ALA 53 H ALA 53 26.146 -3.221 -18.495 411 HA ALA 53 HA ALA 53 24.399 -5.410 -18.125 412 1HB ALA 53 1HB ALA 53 26.568 -5.136 -16.850 413 2HB ALA 53 2HB ALA 53 25.279 -5.363 -15.703 414 3HB ALA 53 3HB ALA 53 25.900 -3.759 -15.989 415 H LYS 54 H LYS 54 24.193 -2.265 -16.308 416 HA LYS 54 HA LYS 54 21.587 -3.013 -15.315 417 1HB LYS 54 1HB LYS 54 21.656 -0.943 -14.216 418 2HB LYS 54 2HB LYS 54 23.344 -1.308 -14.389 419 1HG LYS 54 1HG LYS 54 23.193 0.030 -16.629 420 2HG LYS 54 2HG LYS 54 21.640 0.607 -16.034 421 1HD LYS 54 1HD LYS 54 23.015 1.079 -13.823 422 2HD LYS 54 2HD LYS 54 24.366 1.022 -14.936 423 1HE LYS 54 1HE LYS 54 21.978 2.966 -14.964 424 2HE LYS 54 2HE LYS 54 23.675 3.363 -14.789 425 1HZ LYS 54 1HZ LYS 54 23.432 1.888 -17.142 426 2HZ LYS 54 2HZ LYS 54 23.800 3.561 -16.990 427 3HZ LYS 54 3HZ LYS 54 22.166 3.077 -17.150 428 H TRP 55 H TRP 55 22.593 -1.515 -18.516 429 HA TRP 55 HA TRP 55 20.003 -0.366 -18.914 430 1HB TRP 55 1HB TRP 55 22.442 -0.056 -20.048 431 2HB TRP 55 2HB TRP 55 21.933 -1.393 -21.037 432 HD1 TRP 55 HD1 TRP 55 20.686 2.226 -20.104 433 HE1 TRP 55 HE1 TRP 55 19.327 2.944 -22.146 434 HE3 TRP 55 HE3 TRP 55 20.794 -1.994 -22.851 435 HZ2 TRP 55 HZ2 TRP 55 18.399 1.936 -24.598 436 HZ3 TRP 55 HZ3 TRP 55 19.667 -2.114 -25.055 437 HH2 TRP 55 HH2 TRP 55 18.466 -0.139 -25.933 438 H ASP 56 H ASP 56 21.784 -3.327 -20.256 439 HA ASP 56 HA ASP 56 19.944 -4.807 -21.292 440 1HB ASP 56 1HB ASP 56 22.321 -5.186 -19.570 441 2HB ASP 56 2HB ASP 56 21.464 -6.560 -19.420 442 H ALA 57 H ALA 57 20.644 -5.055 -17.931 443 HA ALA 57 HA ALA 57 18.662 -6.554 -16.858 444 1HB ALA 57 1HB ALA 57 19.084 -5.241 -14.770 445 2HB ALA 57 2HB ALA 57 19.740 -3.932 -15.743 446 3HB ALA 57 3HB ALA 57 20.588 -5.482 -15.663 447 H TRP 58 H TRP 58 18.224 -3.201 -17.811 448 HA TRP 58 HA TRP 58 15.362 -3.241 -16.991 449 1HB TRP 58 1HB TRP 58 16.713 -1.313 -16.259 450 2HB TRP 58 2HB TRP 58 17.167 -0.966 -17.910 451 HD1 TRP 58 HD1 TRP 58 13.469 -1.962 -17.279 452 HE1 TRP 58 HE1 TRP 58 12.132 0.236 -17.589 453 HE3 TRP 58 HE3 TRP 58 17.158 1.412 -17.595 454 HZ2 TRP 58 HZ2 TRP 58 12.479 2.966 -17.848 455 HZ3 TRP 58 HZ3 TRP 58 16.639 3.865 -17.907 456 HH2 TRP 58 HH2 TRP 58 14.318 4.621 -18.025 457 H ASN 59 H ASN 59 17.288 -2.980 -19.862 458 HA ASN 59 HA ASN 59 15.294 -2.200 -21.795 459 1HB ASN 59 1HB ASN 59 17.884 -2.382 -22.249 460 2HB ASN 59 2HB ASN 59 17.663 -4.111 -22.314 461 1HD2 ASN 59 1HD2 ASN 59 16.802 -4.993 -24.257 462 2HD2 ASN 59 2HD2 ASN 59 16.335 -3.998 -25.566 463 H GLU 60 H GLU 60 16.577 -5.333 -20.657 464 HA GLU 60 HA GLU 60 14.768 -6.964 -22.045 465 1HB GLU 60 1HB GLU 60 16.317 -7.384 -19.435 466 2HB GLU 60 2HB GLU 60 15.642 -8.686 -20.410 467 1HG GLU 60 1HG GLU 60 17.940 -6.782 -21.186 468 2HG GLU 60 2HG GLU 60 17.984 -8.514 -21.130 469 H LEU 61 H LEU 61 13.903 -4.819 -19.612 470 HA LEU 61 HA LEU 61 11.517 -6.456 -18.910 471 1HB LEU 61 1HB LEU 61 12.448 -4.031 -17.295 472 2HB LEU 61 2HB LEU 61 11.351 -5.324 -16.849 473 HG LEU 61 HG LEU 61 14.341 -5.570 -17.150 474 1HD1 LEU 61 1HD1 LEU 61 13.526 -4.341 -15.136 475 2HD1 LEU 61 2HD1 LEU 61 14.207 -5.898 -14.680 476 3HD1 LEU 61 3HD1 LEU 61 12.472 -5.685 -14.738 477 1HD2 LEU 61 1HD2 LEU 61 13.240 -7.642 -17.823 478 2HD2 LEU 61 2HD2 LEU 61 12.239 -7.622 -16.383 479 3HD2 LEU 61 3HD2 LEU 61 13.980 -7.835 -16.245 480 H LYS 62 H LYS 62 12.580 -3.903 -20.769 481 HA LYS 62 HA LYS 62 10.906 -1.785 -20.475 482 1HB LYS 62 1HB LYS 62 12.797 -1.969 -22.063 483 2HB LYS 62 2HB LYS 62 12.023 -3.309 -22.855 484 1HG LYS 62 1HG LYS 62 10.328 -0.873 -22.830 485 2HG LYS 62 2HG LYS 62 11.756 -0.764 -23.869 486 1HD LYS 62 1HD LYS 62 10.949 -2.439 -25.300 487 2HD LYS 62 2HD LYS 62 10.260 -3.386 -24.021 488 1HE LYS 62 1HE LYS 62 8.415 -2.641 -25.328 489 2HE LYS 62 2HE LYS 62 8.390 -1.670 -23.858 490 1HZ LYS 62 1HZ LYS 62 8.620 0.133 -25.058 491 2HZ LYS 62 2HZ LYS 62 8.688 -0.749 -26.514 492 3HZ LYS 62 3HZ LYS 62 10.109 -0.385 -25.635 493 H GLY 63 H GLY 63 8.669 -1.551 -20.373 494 1HA GLY 63 1HA GLY 63 6.505 -1.899 -21.559 495 2HA GLY 63 2HA GLY 63 6.970 -3.579 -21.828 496 H THR 64 H THR 64 8.069 -3.760 -19.109 497 HA THR 64 HA THR 64 5.988 -5.002 -17.715 498 HB THR 64 HB THR 64 8.116 -3.419 -16.150 499 HG1 THR 64 HG1 THR 64 8.943 -4.888 -17.796 500 1HG2 THR 64 1HG2 THR 64 7.888 -5.347 -14.623 501 2HG2 THR 64 2HG2 THR 64 6.804 -6.154 -15.735 502 3HG2 THR 64 3HG2 THR 64 6.266 -4.741 -14.835 503 H SER 65 H SER 65 4.616 -4.530 -16.040 504 HA SER 65 HA SER 65 3.583 -1.757 -16.117 505 1HB SER 65 1HB SER 65 2.531 -4.254 -14.628 506 2HB SER 65 2HB SER 65 1.738 -2.682 -14.675 507 HG SER 65 HG SER 65 1.762 -4.611 -16.594 508 H LYS 66 H LYS 66 4.223 -0.277 -14.581 509 HA LYS 66 HA LYS 66 6.341 -0.390 -12.977 510 1HB LYS 66 1HB LYS 66 3.687 1.100 -12.659 511 2HB LYS 66 2HB LYS 66 5.093 1.508 -11.689 512 1HG LYS 66 1HG LYS 66 6.458 1.945 -13.655 513 2HG LYS 66 2HG LYS 66 5.213 1.401 -14.752 514 1HD LYS 66 1HD LYS 66 4.684 3.659 -12.804 515 2HD LYS 66 2HD LYS 66 5.642 3.990 -14.218 516 1HE LYS 66 1HE LYS 66 2.852 2.763 -14.385 517 2HE LYS 66 2HE LYS 66 3.154 4.499 -14.418 518 1HZ LYS 66 1HZ LYS 66 3.420 2.701 -16.606 519 2HZ LYS 66 2HZ LYS 66 4.977 3.212 -16.162 520 3HZ LYS 66 3HZ LYS 66 3.771 4.354 -16.571 521 H GLU 67 H GLU 67 3.222 -1.019 -11.727 522 HA GLU 67 HA GLU 67 3.599 -1.612 -9.111 523 1HB GLU 67 1HB GLU 67 1.802 -2.581 -11.299 524 2HB GLU 67 2HB GLU 67 1.564 -3.264 -9.753 525 1HG GLU 67 1HG GLU 67 1.441 -0.240 -10.289 526 2HG GLU 67 2HG GLU 67 0.034 -1.260 -10.045 527 H ASP 68 H ASP 68 4.207 -3.882 -11.646 528 HA ASP 68 HA ASP 68 4.528 -6.217 -10.026 529 1HB ASP 68 1HB ASP 68 5.956 -5.653 -12.647 530 2HB ASP 68 2HB ASP 68 5.183 -7.101 -12.148 531 H ALA 69 H ALA 69 6.429 -3.988 -11.410 532 HA ALA 69 HA ALA 69 9.101 -4.971 -10.747 533 1HB ALA 69 1HB ALA 69 8.591 -3.121 -12.420 534 2HB ALA 69 2HB ALA 69 9.852 -2.729 -11.249 535 3HB ALA 69 3HB ALA 69 8.235 -2.061 -11.084 536 H MET 70 H MET 70 6.827 -2.597 -9.342 537 HA MET 70 HA MET 70 8.314 -2.176 -6.986 538 1HB MET 70 1HB MET 70 5.225 -2.277 -7.429 539 2HB MET 70 2HB MET 70 5.947 -1.466 -6.074 540 1HG MET 70 1HG MET 70 6.975 0.195 -7.579 541 2HG MET 70 2HG MET 70 6.462 -0.675 -8.968 542 1HE MET 70 1HE MET 70 5.953 1.607 -9.815 543 2HE MET 70 2HE MET 70 5.948 2.622 -8.366 544 3HE MET 70 3HE MET 70 4.527 2.529 -9.408 545 H LYS 71 H LYS 71 5.697 -4.613 -7.288 546 HA LYS 71 HA LYS 71 6.097 -5.636 -4.736 547 1HB LYS 71 1HB LYS 71 5.302 -6.834 -7.416 548 2HB LYS 71 2HB LYS 71 5.342 -7.886 -5.991 549 1HG LYS 71 1HG LYS 71 3.803 -6.618 -4.815 550 2HG LYS 71 2HG LYS 71 4.112 -5.129 -5.675 551 1HD LYS 71 1HD LYS 71 3.019 -6.371 -7.729 552 2HD LYS 71 2HD LYS 71 2.396 -7.489 -6.521 553 1HE LYS 71 1HE LYS 71 0.726 -5.719 -6.691 554 2HE LYS 71 2HE LYS 71 1.619 -5.355 -5.219 555 1HZ LYS 71 1HZ LYS 71 2.387 -3.389 -6.179 556 2HZ LYS 71 2HZ LYS 71 1.384 -3.634 -7.434 557 3HZ LYS 71 3HZ LYS 71 2.950 -4.235 -7.488 558 H ALA 72 H ALA 72 7.761 -7.098 -7.542 559 HA ALA 72 HA ALA 72 9.569 -8.617 -5.889 560 1HB ALA 72 1HB ALA 72 10.787 -8.928 -8.012 561 2HB ALA 72 2HB ALA 72 10.011 -7.509 -8.735 562 3HB ALA 72 3HB ALA 72 9.090 -8.947 -8.368 563 H TYR 73 H TYR 73 9.870 -5.256 -7.060 564 HA TYR 73 HA TYR 73 12.575 -4.820 -6.369 565 1HB TYR 73 1HB TYR 73 11.251 -3.244 -7.702 566 2HB TYR 73 2HB TYR 73 10.195 -2.944 -6.347 567 HD1 TYR 73 HD1 TYR 73 10.957 -1.507 -4.490 568 HD2 TYR 73 HD2 TYR 73 13.589 -2.491 -7.685 569 HE1 TYR 73 HE1 TYR 73 12.545 0.224 -3.757 570 HE2 TYR 73 HE2 TYR 73 15.128 -0.804 -6.940 571 HH TYR 73 HH TYR 73 15.304 1.117 -5.609 572 H ILE 74 H ILE 74 9.658 -4.123 -4.568 573 HA ILE 74 HA ILE 74 10.801 -3.342 -2.106 574 HB ILE 74 HB ILE 74 8.176 -4.786 -2.655 575 1HG1 ILE 74 1HG1 ILE 74 8.700 -1.854 -2.190 576 2HG1 ILE 74 2HG1 ILE 74 8.571 -2.536 -3.797 577 1HG2 ILE 74 1HG2 ILE 74 9.129 -3.043 -0.261 578 2HG2 ILE 74 2HG2 ILE 74 8.985 -4.789 -0.169 579 3HG2 ILE 74 3HG2 ILE 74 7.561 -3.811 -0.359 580 1HD1 ILE 74 1HD1 ILE 74 6.343 -1.685 -3.043 581 2HD1 ILE 74 2HD1 ILE 74 6.412 -2.700 -1.637 582 3HD1 ILE 74 3HD1 ILE 74 6.295 -3.438 -3.218 583 H ASP 75 H ASP 75 10.068 -6.503 -3.329 584 HA ASP 75 HA ASP 75 10.764 -7.930 -0.828 585 1HB ASP 75 1HB ASP 75 9.806 -8.632 -3.464 586 2HB ASP 75 2HB ASP 75 11.217 -9.585 -3.099 587 H LYS 76 H LYS 76 12.351 -8.088 -3.812 588 HA LYS 76 HA LYS 76 15.014 -8.622 -3.299 589 1HB LYS 76 1HB LYS 76 13.950 -7.468 -5.420 590 2HB LYS 76 2HB LYS 76 14.697 -6.006 -4.873 591 1HG LYS 76 1HG LYS 76 15.942 -8.620 -5.776 592 2HG LYS 76 2HG LYS 76 16.339 -6.990 -6.241 593 1HD LYS 76 1HD LYS 76 17.507 -6.499 -4.189 594 2HD LYS 76 2HD LYS 76 17.103 -8.039 -3.474 595 1HE LYS 76 1HE LYS 76 18.708 -7.747 -6.032 596 2HE LYS 76 2HE LYS 76 19.336 -8.091 -4.422 597 1HZ LYS 76 1HZ LYS 76 18.885 -10.191 -4.710 598 2HZ LYS 76 2HZ LYS 76 18.060 -9.973 -6.209 599 3HZ LYS 76 3HZ LYS 76 17.230 -9.847 -4.729 600 H VAL 77 H VAL 77 13.827 -5.294 -2.817 601 HA VAL 77 HA VAL 77 15.955 -4.180 -1.334 602 HB VAL 77 HB VAL 77 12.930 -3.701 -0.921 603 1HG1 VAL 77 1HG1 VAL 77 14.322 -2.946 1.039 604 2HG1 VAL 77 2HG1 VAL 77 13.664 -1.596 0.155 605 3HG1 VAL 77 3HG1 VAL 77 15.340 -2.033 -0.063 606 1HG2 VAL 77 1HG2 VAL 77 13.806 -3.065 -3.244 607 2HG2 VAL 77 2HG2 VAL 77 15.050 -2.139 -2.447 608 3HG2 VAL 77 3HG2 VAL 77 13.386 -1.648 -2.319 609 H GLU 78 H GLU 78 13.076 -5.701 0.047 610 HA GLU 78 HA GLU 78 13.993 -5.857 2.695 611 1HB GLU 78 1HB GLU 78 11.799 -6.779 1.178 612 2HB GLU 78 2HB GLU 78 12.366 -8.251 1.875 613 1HG GLU 78 1HG GLU 78 10.591 -6.889 3.217 614 2HG GLU 78 2HG GLU 78 12.024 -7.191 4.168 615 H GLU 79 H GLU 79 14.541 -8.136 0.099 616 HA GLU 79 HA GLU 79 16.109 -10.014 1.530 617 1HB GLU 79 1HB GLU 79 15.764 -9.197 -1.337 618 2HB GLU 79 2HB GLU 79 17.237 -10.058 -1.018 619 1HG GLU 79 1HG GLU 79 14.415 -10.927 -0.395 620 2HG GLU 79 2HG GLU 79 15.449 -11.651 -1.633 621 H LEU 80 H LEU 80 17.023 -7.160 -0.095 622 HA LEU 80 HA LEU 80 19.862 -7.350 0.358 623 1HB LEU 80 1HB LEU 80 17.998 -4.993 -0.241 624 2HB LEU 80 2HB LEU 80 19.731 -4.796 -0.118 625 HG LEU 80 HG LEU 80 18.436 -6.763 -2.030 626 1HD1 LEU 80 1HD1 LEU 80 17.719 -4.456 -2.562 627 2HD1 LEU 80 2HD1 LEU 80 18.925 -5.006 -3.725 628 3HD1 LEU 80 3HD1 LEU 80 19.378 -3.897 -2.440 629 1HD2 LEU 80 1HD2 LEU 80 20.693 -6.549 -3.105 630 2HD2 LEU 80 2HD2 LEU 80 20.808 -7.132 -1.469 631 3HD2 LEU 80 3HD2 LEU 80 21.184 -5.454 -1.831 632 H LYS 81 H LYS 81 17.312 -5.722 1.979 633 HA LYS 81 HA LYS 81 18.690 -4.444 4.111 634 1HB LYS 81 1HB LYS 81 16.263 -4.435 3.300 635 2HB LYS 81 2HB LYS 81 16.023 -5.955 4.110 636 1HG LYS 81 1HG LYS 81 16.176 -4.978 6.287 637 2HG LYS 81 2HG LYS 81 16.644 -3.427 5.596 638 1HD LYS 81 1HD LYS 81 14.501 -3.725 4.057 639 2HD LYS 81 2HD LYS 81 13.996 -4.909 5.223 640 1HE LYS 81 1HE LYS 81 13.943 -3.152 6.972 641 2HE LYS 81 2HE LYS 81 14.550 -2.003 5.767 642 1HZ LYS 81 1HZ LYS 81 12.468 -3.325 4.486 643 2HZ LYS 81 2HZ LYS 81 12.510 -1.717 5.093 644 3HZ LYS 81 3HZ LYS 81 11.871 -3.029 6.012 645 H LYS 82 H LYS 82 17.404 -7.548 3.983 646 HA LYS 82 HA LYS 82 18.318 -8.589 6.424 647 1HB LYS 82 1HB LYS 82 17.754 -9.967 3.811 648 2HB LYS 82 2HB LYS 82 18.003 -10.876 5.283 649 1HG LYS 82 1HG LYS 82 15.983 -9.714 6.282 650 2HG LYS 82 2HG LYS 82 15.679 -8.911 4.770 651 1HD LYS 82 1HD LYS 82 15.915 -11.446 3.806 652 2HD LYS 82 2HD LYS 82 15.581 -11.867 5.464 653 1HE LYS 82 1HE LYS 82 13.517 -11.988 4.214 654 2HE LYS 82 2HE LYS 82 13.391 -10.587 5.273 655 1HZ LYS 82 1HZ LYS 82 13.040 -9.356 3.411 656 2HZ LYS 82 2HZ LYS 82 13.389 -10.677 2.407 657 3HZ LYS 82 3HZ LYS 82 14.667 -9.727 2.975 658 H LYS 83 H LYS 83 19.917 -8.298 3.445 659 HA LYS 83 HA LYS 83 22.246 -9.896 4.251 660 1HB LYS 83 1HB LYS 83 21.594 -8.523 1.661 661 2HB LYS 83 2HB LYS 83 22.993 -9.550 1.905 662 1HG LYS 83 1HG LYS 83 21.714 -11.469 2.044 663 2HG LYS 83 2HG LYS 83 20.246 -10.592 2.433 664 1HD LYS 83 1HD LYS 83 20.151 -9.622 0.129 665 2HD LYS 83 2HD LYS 83 21.655 -10.371 -0.342 666 1HE LYS 83 1HE LYS 83 20.746 -12.573 0.016 667 2HE LYS 83 2HE LYS 83 19.320 -11.936 0.814 668 1HZ LYS 83 1HZ LYS 83 19.664 -12.363 -1.939 669 2HZ LYS 83 2HZ LYS 83 19.537 -10.708 -1.759 670 3HZ LYS 83 3HZ LYS 83 18.329 -11.742 -1.098 671 H TYR 84 H TYR 84 21.872 -6.584 3.033 672 HA TYR 84 HA TYR 84 24.681 -6.136 3.495 673 1HB TYR 84 1HB TYR 84 22.529 -4.557 2.075 674 2HB TYR 84 2HB TYR 84 24.212 -4.106 2.167 675 HD1 TYR 84 HD1 TYR 84 21.908 -6.655 0.834 676 HD2 TYR 84 HD2 TYR 84 25.900 -5.266 0.904 677 HE1 TYR 84 HE1 TYR 84 22.454 -8.149 -1.072 678 HE2 TYR 84 HE2 TYR 84 26.435 -6.785 -1.006 679 HH TYR 84 HH TYR 84 23.946 -8.940 -2.360 680 H GLY 85 H GLY 85 21.817 -4.849 5.306 681 1HA GLY 85 1HA GLY 85 22.528 -3.909 7.470 682 2HA GLY 85 2HA GLY 85 23.996 -3.342 6.737 683 H ILE 86 H ILE 86 21.118 -2.556 7.880 684 HA ILE 86 HA ILE 86 21.225 0.220 7.023 685 HB ILE 86 HB ILE 86 19.800 -0.911 5.455 686 1HG1 ILE 86 1HG1 ILE 86 18.205 0.653 7.512 687 2HG1 ILE 86 2HG1 ILE 86 19.207 1.452 6.326 688 1HG2 ILE 86 1HG2 ILE 86 17.592 -1.915 6.228 689 2HG2 ILE 86 2HG2 ILE 86 18.152 -1.783 7.879 690 3HG2 ILE 86 3HG2 ILE 86 18.983 -2.857 6.758 691 1HD1 ILE 86 1HD1 ILE 86 17.694 0.582 4.487 692 2HD1 ILE 86 2HD1 ILE 86 16.874 1.630 5.607 693 3HD1 ILE 86 3HD1 ILE 86 16.619 -0.100 5.699 694 AH2 COA 1 AH2 COA 1 17.208 1.160 -8.172 695 AH61 COA 1 AH61 COA 1 15.350 2.750 -4.547 696 AH62 COA 1 AH62 COA 1 15.527 4.504 -4.506 697 AH8 COA 1 AH8 COA 1 17.711 7.529 -7.881 698 AH1* COA 1 AH1* COA 1 18.279 4.979 -10.573 699 AH2* COA 1 AH2* COA 1 18.882 7.824 -9.574 700 AHO2 COA 1 AHO2 COA 1 18.278 7.698 -12.078 701 AH3* COA 1 AH3* COA 1 20.665 7.832 -11.205 702 AH4* COA 1 AH4* COA 1 21.614 5.402 -10.427 703 AH51 COA 1 AH51 COA 1 22.301 7.490 -9.153 704 AH52 COA 1 AH52 COA 1 22.009 6.140 -8.101 705 1H12 COA 1 1H12 COA 1 21.810 8.158 -2.684 706 2H12 COA 1 2H12 COA 1 22.555 9.104 -3.928 707 1H13 COA 1 1H13 COA 1 22.368 7.335 -6.293 708 2H13 COA 1 2H13 COA 1 23.863 6.479 -6.098 709 3H13 COA 1 3H13 COA 1 23.800 8.190 -5.718 710 1H14 COA 1 1H14 COA 1 22.339 4.931 -4.732 711 2H14 COA 1 2H14 COA 1 20.990 6.028 -4.914 712 3H14 COA 1 3H14 COA 1 21.511 5.547 -3.306 713 H10 COA 1 H10 COA 1 24.677 7.623 -3.374 714 HO1 COA 1 HO1 COA 1 24.261 5.506 -4.894 715 HN8 COA 1 HN8 COA 1 24.342 4.659 -2.642 716 1H7 COA 1 1H7 COA 1 23.245 4.892 0.140 717 2H7 COA 1 2H7 COA 1 23.121 3.420 -0.837 718 1H6 COA 1 1H6 COA 1 25.339 4.317 0.789 719 2H6 COA 1 2H6 COA 1 25.233 2.816 -0.131 720 HN4 COA 1 HN4 COA 1 26.267 2.686 -2.043 721 1H3 COA 1 1H3 COA 1 28.252 4.849 -2.664 722 2H3 COA 1 2H3 COA 1 28.540 3.139 -2.943 723 1H2 COA 1 1H2 COA 1 26.589 4.936 -4.383 724 2H2 COA 1 2H2 COA 1 28.025 4.263 -5.042 725 1H2 PLY 2 1H2 PLY 2 22.991 3.172 -3.588 726 2H2 PLY 2 2H2 PLY 2 24.521 2.518 -2.963 727 1H3 PLY 2 1H3 PLY 2 23.167 0.689 -3.000 728 2H3 PLY 2 2H3 PLY 2 24.155 0.455 -4.423 729 1H4 PLY 2 1H4 PLY 2 21.892 -0.196 -4.973 730 2H4 PLY 2 2H4 PLY 2 21.181 1.285 -4.334 731 1H5 PLY 2 1H5 PLY 2 22.301 2.475 -6.180 732 2H5 PLY 2 2H5 PLY 2 22.889 0.920 -6.824 733 1H6 PLY 2 1H6 PLY 2 20.110 2.058 -6.720 734 2H6 PLY 2 2H6 PLY 2 20.293 0.310 -6.651 735 1H7 PLY 2 1H7 PLY 2 20.108 1.108 -8.969 736 2H7 PLY 2 2H7 PLY 2 21.647 0.324 -8.668 737 1H8 PLY 2 1H8 PLY 2 22.416 2.937 -8.169 738 2H8 PLY 2 2H8 PLY 2 20.994 3.263 -9.100 739 1H9 PLY 2 1H9 PLY 2 22.775 3.200 -10.699 740 2H9 PLY 2 2H9 PLY 2 21.917 1.685 -10.922 741 1HA PLY 2 1HA PLY 2 23.615 0.671 -9.219 742 2HA PLY 2 2HA PLY 2 24.471 2.179 -9.394 743 1HB PLY 2 1HB PLY 2 23.747 0.480 -11.803 744 2HB PLY 2 2HB PLY 2 24.858 1.833 -11.765 745 1HC PLY 2 1HC PLY 2 26.196 0.439 -9.957 746 2HC PLY 2 2HC PLY 2 26.290 -0.144 -11.608 747 1HD PLY 2 1HD PLY 2 25.773 -1.848 -9.695 748 2HD PLY 2 2HD PLY 2 24.141 -1.183 -9.762 749 1HE PLY 2 1HE PLY 2 23.847 -1.725 -12.009 750 2HE PLY 2 2HE PLY 2 24.278 -3.139 -11.090 751 1HF PLY 2 1HF PLY 2 25.979 -1.758 -13.290 752 2HF PLY 2 2HF PLY 2 25.562 -3.449 -13.069 753 1HG PLY 2 1HG PLY 2 27.817 -3.149 -12.742 754 2HG PLY 2 2HG PLY 2 27.573 -2.118 -11.330 755 3HG PLY 2 3HG PLY 2 27.020 -3.787 -11.313 Start of MODEL 14 1 1H SER 1 1H SER 1 1.337 4.239 -8.893 2 2H SER 1 2H SER 1 0.459 3.084 -7.988 3 H SER 1 H SER 1 -0.312 4.454 -8.626 4 HA SER 1 HA SER 1 1.718 5.503 -7.084 5 1HB SER 1 1HB SER 1 -1.267 5.420 -6.451 6 2HB SER 1 2HB SER 1 -0.129 6.776 -6.252 7 HG SER 1 HG SER 1 -0.860 7.161 -8.333 8 H GLN 2 H GLN 2 2.545 3.154 -6.510 9 HA GLN 2 HA GLN 2 1.347 2.235 -3.933 10 1HB GLN 2 1HB GLN 2 1.391 0.588 -5.823 11 2HB GLN 2 2HB GLN 2 3.140 0.718 -5.900 12 1HG GLN 2 1HG GLN 2 2.802 0.194 -3.183 13 2HG GLN 2 2HG GLN 2 1.413 -0.642 -3.825 14 1HE2 GLN 2 1HE2 GLN 2 4.750 -0.842 -3.266 15 2HE2 GLN 2 2HE2 GLN 2 4.983 -2.290 -4.143 16 H ALA 3 H ALA 3 2.459 4.037 -3.020 17 HA ALA 3 HA ALA 3 4.941 4.936 -2.694 18 1HB ALA 3 1HB ALA 3 4.583 5.059 -0.232 19 2HB ALA 3 2HB ALA 3 3.247 3.925 -0.356 20 3HB ALA 3 3HB ALA 3 3.139 5.510 -1.115 21 H GLU 4 H GLU 4 4.228 1.847 -0.994 22 HA GLU 4 HA GLU 4 6.530 1.263 0.110 23 1HB GLU 4 1HB GLU 4 4.436 -0.300 -1.346 24 2HB GLU 4 2HB GLU 4 5.893 -1.162 -0.930 25 1HG GLU 4 1HG GLU 4 4.161 -1.306 0.926 26 2HG GLU 4 2HG GLU 4 5.623 -0.530 1.488 27 H PHE 5 H PHE 5 6.180 1.296 -3.210 28 HA PHE 5 HA PHE 5 8.702 -0.013 -3.676 29 1HB PHE 5 1HB PHE 5 6.777 0.117 -5.158 30 2HB PHE 5 2HB PHE 5 6.882 1.846 -5.016 31 HD1 PHE 5 HD1 PHE 5 8.145 3.111 -6.367 32 HD2 PHE 5 HD2 PHE 5 9.209 -0.988 -6.158 33 HE1 PHE 5 HE1 PHE 5 9.822 3.520 -7.932 34 HE2 PHE 5 HE2 PHE 5 10.998 -0.569 -7.856 35 HZ PHE 5 HZ PHE 5 11.284 1.730 -8.738 36 H ASP 6 H ASP 6 7.768 3.469 -4.013 37 HA ASP 6 HA ASP 6 10.313 4.525 -4.300 38 1HB ASP 6 1HB ASP 6 7.757 5.536 -2.964 39 2HB ASP 6 2HB ASP 6 9.095 6.555 -3.405 40 H LYS 7 H LYS 7 8.451 3.833 -1.581 41 HA LYS 7 HA LYS 7 10.180 4.789 0.496 42 1HB LYS 7 1HB LYS 7 7.814 4.079 0.870 43 2HB LYS 7 2HB LYS 7 8.246 2.411 0.521 44 1HG LYS 7 1HG LYS 7 9.943 2.523 2.445 45 2HG LYS 7 2HG LYS 7 9.307 4.115 2.797 46 1HD LYS 7 1HD LYS 7 7.049 3.241 3.159 47 2HD LYS 7 2HD LYS 7 7.535 1.636 2.673 48 1HE LYS 7 1HE LYS 7 8.861 3.094 4.992 49 2HE LYS 7 2HE LYS 7 7.461 2.048 5.225 50 1HZ LYS 7 1HZ LYS 7 8.837 0.256 5.090 51 2HZ LYS 7 2HZ LYS 7 10.174 1.288 4.890 52 3HZ LYS 7 3HZ LYS 7 9.333 0.752 3.553 53 H ALA 8 H ALA 8 9.893 1.701 -1.108 54 HA ALA 8 HA ALA 8 11.975 0.362 0.415 55 1HB ALA 8 1HB ALA 8 11.853 -1.323 -1.477 56 2HB ALA 8 2HB ALA 8 10.928 -0.167 -2.436 57 3HB ALA 8 3HB ALA 8 10.269 -0.825 -0.957 58 H ALA 9 H ALA 9 12.009 2.110 -2.764 59 HA ALA 9 HA ALA 9 14.758 1.888 -3.234 60 1HB ALA 9 1HB ALA 9 13.073 2.751 -4.861 61 2HB ALA 9 2HB ALA 9 14.356 3.930 -4.710 62 3HB ALA 9 3HB ALA 9 12.822 4.193 -3.894 63 H GLU 10 H GLU 10 13.082 4.514 -1.498 64 HA GLU 10 HA GLU 10 15.348 6.038 -0.797 65 1HB GLU 10 1HB GLU 10 12.915 5.429 0.983 66 2HB GLU 10 2HB GLU 10 14.048 6.728 1.276 67 1HG GLU 10 1HG GLU 10 13.363 7.524 -1.156 68 2HG GLU 10 2HG GLU 10 11.988 6.468 -0.931 69 H GLU 11 H GLU 11 13.778 3.447 0.978 70 HA GLU 11 HA GLU 11 15.645 3.158 3.045 71 1HB GLU 11 1HB GLU 11 13.796 1.171 1.754 72 2HB GLU 11 2HB GLU 11 14.690 0.845 3.231 73 1HG GLU 11 1HG GLU 11 13.529 3.524 3.514 74 2HG GLU 11 2HG GLU 11 12.298 2.482 2.940 75 H VAL 12 H VAL 12 15.771 1.577 -0.215 76 HA VAL 12 HA VAL 12 18.075 -0.047 0.409 77 HB VAL 12 HB VAL 12 16.311 0.014 -1.656 78 1HG1 VAL 12 1HG1 VAL 12 17.292 1.931 -2.861 79 2HG1 VAL 12 2HG1 VAL 12 17.511 0.458 -3.767 80 3HG1 VAL 12 3HG1 VAL 12 18.866 1.144 -2.894 81 1HG2 VAL 12 1HG2 VAL 12 17.768 -1.905 -1.045 82 2HG2 VAL 12 2HG2 VAL 12 19.150 -1.098 -1.768 83 3HG2 VAL 12 3HG2 VAL 12 17.826 -1.645 -2.779 84 H LYS 13 H LYS 13 17.663 3.090 -1.240 85 HA LYS 13 HA LYS 13 20.348 3.797 -1.709 86 1HB LYS 13 1HB LYS 13 17.745 5.131 -1.663 87 2HB LYS 13 2HB LYS 13 18.990 6.100 -0.867 88 1HG LYS 13 1HG LYS 13 20.460 6.046 -2.796 89 2HG LYS 13 2HG LYS 13 19.462 4.857 -3.586 90 1HD LYS 13 1HD LYS 13 19.242 7.037 -4.675 91 2HD LYS 13 2HD LYS 13 17.694 6.549 -4.022 92 1HE LYS 13 1HE LYS 13 19.614 8.559 -2.739 93 2HE LYS 13 2HE LYS 13 18.250 9.017 -3.734 94 1HZ LYS 13 1HZ LYS 13 17.374 7.162 -1.791 95 2HZ LYS 13 2HZ LYS 13 16.859 8.765 -1.923 96 3HZ LYS 13 3HZ LYS 13 18.244 8.400 -1.005 97 H HIS 14 H HIS 14 18.511 3.850 1.144 98 HA HIS 14 HA HIS 14 20.562 5.185 2.809 99 1HB HIS 14 1HB HIS 14 17.841 3.999 3.459 100 2HB HIS 14 2HB HIS 14 18.878 4.655 4.713 101 HD1 HIS 14 HD1 HIS 14 16.508 5.631 2.285 102 HD2 HIS 14 HD2 HIS 14 19.532 7.552 4.199 103 HE1 HIS 14 HE1 HIS 14 16.079 8.082 1.982 104 H LEU 15 H LEU 15 20.314 1.951 1.826 105 HA LEU 15 HA LEU 15 20.971 0.553 4.189 106 1HB LEU 15 1HB LEU 15 21.872 0.147 1.307 107 2HB LEU 15 2HB LEU 15 22.330 -0.993 2.536 108 HG LEU 15 HG LEU 15 19.502 -0.324 1.693 109 1HD1 LEU 15 1HD1 LEU 15 21.308 -2.774 1.330 110 2HD1 LEU 15 2HD1 LEU 15 20.866 -1.654 0.041 111 3HD1 LEU 15 3HD1 LEU 15 19.634 -2.667 0.778 112 1HD2 LEU 15 1HD2 LEU 15 18.865 -2.266 3.074 113 2HD2 LEU 15 2HD2 LEU 15 19.583 -1.013 4.056 114 3HD2 LEU 15 3HD2 LEU 15 20.527 -2.435 3.632 115 H LYS 16 H LYS 16 23.013 -0.017 5.120 116 HA LYS 16 HA LYS 16 24.930 2.105 5.125 117 1HB LYS 16 1HB LYS 16 24.485 0.167 6.888 118 2HB LYS 16 2HB LYS 16 25.602 -0.770 5.932 119 1HG LYS 16 1HG LYS 16 26.227 1.883 7.323 120 2HG LYS 16 2HG LYS 16 26.716 0.316 7.904 121 1HD LYS 16 1HD LYS 16 28.048 0.044 5.680 122 2HD LYS 16 2HD LYS 16 27.698 1.744 5.399 123 1HE LYS 16 1HE LYS 16 28.822 2.434 7.434 124 2HE LYS 16 2HE LYS 16 29.221 0.760 7.799 125 1HZ LYS 16 1HZ LYS 16 29.981 1.267 5.127 126 2HZ LYS 16 2HZ LYS 16 31.005 0.940 6.451 127 3HZ LYS 16 3HZ LYS 16 30.596 2.536 6.064 128 H THR 17 H THR 17 24.695 -0.775 3.400 129 HA THR 17 HA THR 17 27.127 -0.074 1.785 130 HB THR 17 HB THR 17 26.273 -2.693 2.954 131 HG1 THR 17 HG1 THR 17 28.216 -2.223 3.616 132 1HG2 THR 17 1HG2 THR 17 26.517 -3.247 0.396 133 2HG2 THR 17 2HG2 THR 17 27.727 -3.939 1.453 134 3HG2 THR 17 3HG2 THR 17 28.118 -2.512 0.512 135 H LYS 18 H LYS 18 27.442 -0.615 -0.163 136 HA LYS 18 HA LYS 18 25.269 -0.347 -2.061 137 1HB LYS 18 1HB LYS 18 28.117 -0.779 -2.930 138 2HB LYS 18 2HB LYS 18 27.011 0.430 -3.511 139 1HG LYS 18 1HG LYS 18 28.360 1.888 -2.319 140 2HG LYS 18 2HG LYS 18 27.446 1.376 -0.931 141 1HD LYS 18 1HD LYS 18 29.554 0.809 -0.117 142 2HD LYS 18 2HD LYS 18 29.265 -0.676 -1.011 143 1HE LYS 18 1HE LYS 18 30.396 0.388 -3.031 144 2HE LYS 18 2HE LYS 18 30.803 1.757 -1.997 145 1HZ LYS 18 1HZ LYS 18 32.166 -0.710 -2.189 146 2HZ LYS 18 2HZ LYS 18 31.472 -0.555 -0.639 147 3HZ LYS 18 3HZ LYS 18 32.579 0.623 -1.232 148 HA PRO 19 HA PRO 19 25.712 -4.856 -1.618 149 1HB PRO 19 1HB PRO 19 23.243 -4.828 -3.453 150 2HB PRO 19 2HB PRO 19 23.579 -5.708 -2.008 151 1HG PRO 19 1HG PRO 19 21.999 -3.491 -1.858 152 2HG PRO 19 2HG PRO 19 23.294 -3.616 -0.659 153 1HD PRO 19 1HD PRO 19 23.503 -2.238 -3.358 154 2HD PRO 19 2HD PRO 19 23.672 -1.506 -1.737 155 H ALA 20 H ALA 20 25.762 -6.765 -3.549 156 HA ALA 20 HA ALA 20 27.931 -5.880 -5.239 157 1HB ALA 20 1HB ALA 20 26.362 -8.490 -5.080 158 2HB ALA 20 2HB ALA 20 27.827 -8.131 -4.161 159 3HB ALA 20 3HB ALA 20 27.888 -8.285 -5.910 160 H ASP 21 H ASP 21 27.941 -6.132 -7.585 161 HA ASP 21 HA ASP 21 26.006 -4.708 -8.894 162 1HB ASP 21 1HB ASP 21 27.915 -6.962 -9.836 163 2HB ASP 21 2HB ASP 21 27.125 -5.878 -10.968 164 H GLU 22 H GLU 22 25.922 -8.362 -9.054 165 HA GLU 22 HA GLU 22 23.585 -8.521 -10.479 166 1HB GLU 22 1HB GLU 22 24.152 -10.195 -7.966 167 2HB GLU 22 2HB GLU 22 23.165 -10.717 -9.306 168 1HG GLU 22 1HG GLU 22 25.196 -11.803 -9.838 169 2HG GLU 22 2HG GLU 22 25.441 -10.303 -10.702 170 H GLU 23 H GLU 23 23.676 -7.914 -7.019 171 HA GLU 23 HA GLU 23 20.751 -7.861 -6.753 172 1HB GLU 23 1HB GLU 23 23.087 -6.943 -4.930 173 2HB GLU 23 2HB GLU 23 21.401 -6.895 -4.456 174 1HG GLU 23 1HG GLU 23 22.457 -9.566 -5.507 175 2HG GLU 23 2HG GLU 23 22.924 -9.099 -3.892 176 H MET 24 H MET 24 23.322 -5.369 -6.926 177 HA MET 24 HA MET 24 21.848 -2.995 -6.959 178 1HB MET 24 1HB MET 24 24.243 -3.879 -8.611 179 2HB MET 24 2HB MET 24 23.798 -2.219 -8.456 180 1HG MET 24 1HG MET 24 24.296 -3.925 -6.024 181 2HG MET 24 2HG MET 24 25.618 -3.151 -6.826 182 1HE MET 24 1HE MET 24 25.513 -0.839 -7.467 183 2HE MET 24 2HE MET 24 26.392 -0.641 -5.934 184 3HE MET 24 3HE MET 24 25.069 0.457 -6.392 185 H LEU 25 H LEU 25 22.558 -5.113 -9.497 186 HA LEU 25 HA LEU 25 21.385 -4.044 -11.769 187 1HB LEU 25 1HB LEU 25 22.323 -6.695 -10.821 188 2HB LEU 25 2HB LEU 25 21.314 -6.757 -12.198 189 HG LEU 25 HG LEU 25 23.973 -5.424 -11.780 190 1HD1 LEU 25 1HD1 LEU 25 23.027 -7.595 -13.666 191 2HD1 LEU 25 2HD1 LEU 25 24.048 -7.786 -12.257 192 3HD1 LEU 25 3HD1 LEU 25 24.653 -6.916 -13.639 193 1HD2 LEU 25 1HD2 LEU 25 23.765 -4.720 -14.259 194 2HD2 LEU 25 2HD2 LEU 25 22.535 -3.917 -13.315 195 3HD2 LEU 25 3HD2 LEU 25 22.128 -5.341 -14.264 196 H PHE 26 H PHE 26 20.068 -6.718 -9.800 197 HA PHE 26 HA PHE 26 17.505 -6.775 -11.060 198 1HB PHE 26 1HB PHE 26 18.320 -8.478 -9.402 199 2HB PHE 26 2HB PHE 26 18.158 -7.300 -8.113 200 HD1 PHE 26 HD1 PHE 26 15.664 -6.110 -8.047 201 HD2 PHE 26 HD2 PHE 26 16.542 -9.948 -9.706 202 HE1 PHE 26 HE1 PHE 26 13.340 -6.762 -7.781 203 HE2 PHE 26 HE2 PHE 26 14.192 -10.585 -9.430 204 HZ PHE 26 HZ PHE 26 12.606 -8.981 -8.450 205 H ILE 27 H ILE 27 18.508 -5.143 -8.107 206 HA ILE 27 HA ILE 27 16.152 -3.706 -7.559 207 HB ILE 27 HB ILE 27 19.096 -3.104 -7.112 208 1HG1 ILE 27 1HG1 ILE 27 17.970 -5.317 -6.174 209 2HG1 ILE 27 2HG1 ILE 27 18.872 -4.310 -5.071 210 1HG2 ILE 27 1HG2 ILE 27 18.344 -1.653 -5.257 211 2HG2 ILE 27 2HG2 ILE 27 16.680 -1.926 -5.714 212 3HG2 ILE 27 3HG2 ILE 27 17.751 -1.040 -6.784 213 1HD1 ILE 27 1HD1 ILE 27 15.820 -4.363 -5.432 214 2HD1 ILE 27 2HD1 ILE 27 16.674 -3.412 -4.227 215 3HD1 ILE 27 3HD1 ILE 27 16.715 -5.161 -4.155 216 H TYR 28 H TYR 28 18.942 -2.610 -9.563 217 HA TYR 28 HA TYR 28 17.943 -0.111 -10.392 218 1HB TYR 28 1HB TYR 28 20.255 -0.969 -10.629 219 2HB TYR 28 2HB TYR 28 19.718 -2.081 -11.864 220 HD1 TYR 28 HD1 TYR 28 20.259 1.463 -11.006 221 HD2 TYR 28 HD2 TYR 28 19.190 -1.230 -14.145 222 HE1 TYR 28 HE1 TYR 28 20.622 3.215 -12.631 223 HE2 TYR 28 HE2 TYR 28 19.516 0.557 -15.758 224 HH TYR 28 HH TYR 28 20.571 3.799 -14.786 225 H SER 29 H SER 29 17.894 -3.145 -12.311 226 HA SER 29 HA SER 29 16.372 -2.260 -14.474 227 1HB SER 29 1HB SER 29 15.590 -4.762 -14.573 228 2HB SER 29 2HB SER 29 17.315 -4.501 -14.491 229 HG SER 29 HG SER 29 17.243 -4.840 -12.258 230 H HIS 30 H HIS 30 15.161 -3.911 -11.708 231 HA HIS 30 HA HIS 30 12.392 -3.573 -12.134 232 1HB HIS 30 1HB HIS 30 14.104 -3.956 -9.634 233 2HB HIS 30 2HB HIS 30 12.342 -3.988 -9.576 234 HD1 HIS 30 HD1 HIS 30 15.117 -5.688 -11.494 235 HD2 HIS 30 HD2 HIS 30 11.216 -6.308 -10.446 236 HE1 HIS 30 HE1 HIS 30 14.523 -7.982 -12.255 237 H TYR 31 H TYR 31 14.496 -1.480 -10.053 238 HA TYR 31 HA TYR 31 12.633 0.404 -9.384 239 1HB TYR 31 1HB TYR 31 14.902 0.207 -8.549 240 2HB TYR 31 2HB TYR 31 15.547 0.763 -10.057 241 HD1 TYR 31 HD1 TYR 31 13.060 1.841 -7.419 242 HD2 TYR 31 HD2 TYR 31 16.005 2.968 -10.251 243 HE1 TYR 31 HE1 TYR 31 12.839 4.176 -6.691 244 HE2 TYR 31 HE2 TYR 31 15.792 5.344 -9.477 245 HH TYR 31 HH TYR 31 13.771 6.232 -6.757 246 H LYS 32 H LYS 32 14.720 0.466 -12.270 247 HA LYS 32 HA LYS 32 13.755 2.904 -13.347 248 1HB LYS 32 1HB LYS 32 14.829 0.384 -14.572 249 2HB LYS 32 2HB LYS 32 14.624 1.899 -15.484 250 1HG LYS 32 1HG LYS 32 16.250 1.643 -12.935 251 2HG LYS 32 2HG LYS 32 16.921 1.452 -14.536 252 1HD LYS 32 1HD LYS 32 16.562 3.726 -15.155 253 2HD LYS 32 2HD LYS 32 15.357 4.011 -13.906 254 1HE LYS 32 1HE LYS 32 16.885 4.080 -12.237 255 2HE LYS 32 2HE LYS 32 18.102 3.130 -13.048 256 1HZ LYS 32 1HZ LYS 32 17.574 5.636 -14.447 257 2HZ LYS 32 2HZ LYS 32 19.059 5.051 -13.856 258 3HZ LYS 32 3HZ LYS 32 18.071 5.847 -12.835 259 H GLN 33 H GLN 33 12.685 -0.374 -14.063 260 HA GLN 33 HA GLN 33 10.457 0.390 -15.744 261 1HB GLN 33 1HB GLN 33 11.561 -2.012 -14.812 262 2HB GLN 33 2HB GLN 33 9.976 -2.041 -14.090 263 1HG GLN 33 1HG GLN 33 10.570 -1.419 -16.945 264 2HG GLN 33 2HG GLN 33 10.048 -3.016 -16.422 265 1HE2 GLN 33 1HE2 GLN 33 8.476 -0.856 -18.258 266 2HE2 GLN 33 2HE2 GLN 33 6.981 -0.845 -17.416 267 H ALA 34 H ALA 34 10.313 -0.668 -12.367 268 HA ALA 34 HA ALA 34 7.722 -0.101 -11.650 269 1HB ALA 34 1HB ALA 34 8.674 0.089 -9.380 270 2HB ALA 34 2HB ALA 34 10.260 0.272 -10.129 271 3HB ALA 34 3HB ALA 34 9.388 -1.235 -10.298 272 H THR 35 H THR 35 10.159 2.358 -12.282 273 HA THR 35 HA THR 35 8.335 4.504 -11.261 274 HB THR 35 HB THR 35 10.375 6.038 -11.340 275 HG1 THR 35 HG1 THR 35 11.724 3.618 -11.771 276 1HG2 THR 35 1HG2 THR 35 11.683 5.033 -9.611 277 2HG2 THR 35 2HG2 THR 35 10.969 3.444 -9.905 278 3HG2 THR 35 3HG2 THR 35 9.975 4.786 -9.307 279 H VAL 36 H VAL 36 10.585 3.996 -13.939 280 HA VAL 36 HA VAL 36 9.425 6.228 -15.464 281 HB VAL 36 HB VAL 36 11.624 4.187 -16.196 282 1HG1 VAL 36 1HG1 VAL 36 10.870 6.845 -17.496 283 2HG1 VAL 36 2HG1 VAL 36 10.622 5.270 -18.226 284 3HG1 VAL 36 3HG1 VAL 36 12.248 5.859 -17.950 285 1HG2 VAL 36 1HG2 VAL 36 12.241 5.629 -14.249 286 2HG2 VAL 36 2HG2 VAL 36 11.867 7.060 -15.187 287 3HG2 VAL 36 3HG2 VAL 36 13.192 6.023 -15.678 288 H GLY 37 H GLY 37 9.778 2.843 -15.829 289 1HA GLY 37 1HA GLY 37 7.950 1.307 -16.574 290 2HA GLY 37 2HA GLY 37 7.389 2.601 -17.674 291 H ASP 38 H ASP 38 8.147 2.544 -19.757 292 HA ASP 38 HA ASP 38 10.111 0.603 -20.522 293 1HB ASP 38 1HB ASP 38 8.874 2.938 -22.097 294 2HB ASP 38 2HB ASP 38 9.515 1.452 -22.790 295 H ILE 39 H ILE 39 11.768 1.433 -22.056 296 HA ILE 39 HA ILE 39 13.413 3.449 -20.650 297 HB ILE 39 HB ILE 39 14.026 1.008 -20.654 298 1HG1 ILE 39 1HG1 ILE 39 16.118 2.520 -22.283 299 2HG1 ILE 39 2HG1 ILE 39 15.808 2.902 -20.596 300 1HG2 ILE 39 1HG2 ILE 39 14.473 1.381 -23.652 301 2HG2 ILE 39 2HG2 ILE 39 13.229 0.377 -22.953 302 3HG2 ILE 39 3HG2 ILE 39 14.902 -0.035 -22.740 303 1HD1 ILE 39 1HD1 ILE 39 16.631 0.150 -21.699 304 2HD1 ILE 39 2HD1 ILE 39 16.173 0.450 -20.038 305 3HD1 ILE 39 3HD1 ILE 39 17.603 1.183 -20.686 306 H ASN 40 H ASN 40 13.364 5.404 -21.672 307 HA ASN 40 HA ASN 40 12.809 5.503 -24.569 308 1HB ASN 40 1HB ASN 40 12.339 7.993 -23.777 309 2HB ASN 40 2HB ASN 40 11.169 6.768 -23.291 310 1HD2 ASN 40 1HD2 ASN 40 10.586 7.246 -21.141 311 2HD2 ASN 40 2HD2 ASN 40 11.727 7.677 -19.954 312 H THR 41 H THR 41 15.281 4.872 -23.114 313 HA THR 41 HA THR 41 17.114 6.939 -24.277 314 HB THR 41 HB THR 41 18.470 6.833 -22.302 315 HG1 THR 41 HG1 THR 41 19.292 4.828 -22.614 316 1HG2 THR 41 1HG2 THR 41 17.364 6.020 -20.243 317 2HG2 THR 41 2HG2 THR 41 16.210 5.089 -21.177 318 3HG2 THR 41 3HG2 THR 41 16.130 6.848 -21.190 319 H GLU 42 H GLU 42 19.265 5.924 -24.780 320 HA GLU 42 HA GLU 42 18.800 3.395 -26.293 321 1HB GLU 42 1HB GLU 42 20.516 4.227 -27.828 322 2HB GLU 42 2HB GLU 42 19.464 5.584 -27.495 323 1HG GLU 42 1HG GLU 42 21.128 6.305 -25.640 324 2HG GLU 42 2HG GLU 42 22.181 5.038 -26.216 325 H ARG 43 H ARG 43 20.674 1.952 -26.396 326 HA ARG 43 HA ARG 43 21.635 1.264 -23.876 327 1HB ARG 43 1HB ARG 43 20.943 -0.090 -25.835 328 2HB ARG 43 2HB ARG 43 22.458 0.342 -26.616 329 1HG ARG 43 1HG ARG 43 23.619 -0.745 -24.596 330 2HG ARG 43 2HG ARG 43 22.029 -1.266 -24.063 331 1HD ARG 43 1HD ARG 43 21.722 -2.217 -26.470 332 2HD ARG 43 2HD ARG 43 23.471 -1.957 -26.598 333 HE ARG 43 HE ARG 43 22.196 -3.677 -24.445 334 1HH1 ARG 43 1HH1 ARG 43 24.144 -3.804 -27.077 335 2HH1 ARG 43 2HH1 ARG 43 25.333 -4.842 -26.361 336 1HH2 ARG 43 1HH2 ARG 43 23.673 -4.448 -23.323 337 2HH2 ARG 43 2HH2 ARG 43 25.047 -5.259 -24.029 338 HA PRO 44 HA PRO 44 25.308 3.831 -23.571 339 1HB PRO 44 1HB PRO 44 26.476 2.214 -21.412 340 2HB PRO 44 2HB PRO 44 25.430 3.656 -21.265 341 1HG PRO 44 1HG PRO 44 24.891 0.745 -21.206 342 2HG PRO 44 2HG PRO 44 24.097 2.015 -20.294 343 1HD PRO 44 1HD PRO 44 22.881 0.837 -22.374 344 2HD PRO 44 2HD PRO 44 22.590 2.559 -22.012 345 H GLY 45 H GLY 45 27.608 3.775 -23.370 346 1HA GLY 45 1HA GLY 45 28.928 1.715 -25.131 347 2HA GLY 45 2HA GLY 45 29.248 3.403 -25.334 348 H MET 46 H MET 46 30.290 4.355 -23.119 349 HA MET 46 HA MET 46 32.902 3.486 -22.937 350 1HB MET 46 1HB MET 46 33.089 4.828 -20.907 351 2HB MET 46 2HB MET 46 32.033 5.623 -22.037 352 1HG MET 46 1HG MET 46 31.337 4.309 -19.408 353 2HG MET 46 2HG MET 46 30.978 5.889 -19.961 354 1HE MET 46 1HE MET 46 28.380 5.969 -22.259 355 2HE MET 46 2HE MET 46 29.411 6.732 -21.075 356 3HE MET 46 3HE MET 46 27.823 6.193 -20.586 357 H LEU 47 H LEU 47 30.889 2.708 -20.077 358 HA LEU 47 HA LEU 47 32.739 0.384 -19.606 359 1HB LEU 47 1HB LEU 47 30.847 1.974 -17.847 360 2HB LEU 47 2HB LEU 47 31.260 0.341 -17.373 361 HG LEU 47 HG LEU 47 33.368 2.473 -17.892 362 1HD1 LEU 47 1HD1 LEU 47 31.856 3.073 -15.973 363 2HD1 LEU 47 2HD1 LEU 47 33.449 2.607 -15.416 364 3HD1 LEU 47 3HD1 LEU 47 32.120 1.470 -15.287 365 1HD2 LEU 47 1HD2 LEU 47 34.804 0.940 -16.607 366 2HD2 LEU 47 2HD2 LEU 47 34.182 0.112 -18.016 367 3HD2 LEU 47 3HD2 LEU 47 33.481 -0.194 -16.436 368 H ASP 48 H ASP 48 31.682 -1.662 -18.971 369 HA ASP 48 HA ASP 48 29.109 -1.957 -20.492 370 1HB ASP 48 1HB ASP 48 31.366 -3.064 -21.231 371 2HB ASP 48 2HB ASP 48 31.025 -4.255 -19.999 372 H PHE 49 H PHE 49 30.587 -4.092 -18.159 373 HA PHE 49 HA PHE 49 28.261 -5.128 -17.038 374 1HB PHE 49 1HB PHE 49 29.639 -5.967 -15.246 375 2HB PHE 49 2HB PHE 49 30.830 -5.690 -16.508 376 HD1 PHE 49 HD1 PHE 49 29.829 -4.862 -13.149 377 HD2 PHE 49 HD2 PHE 49 32.008 -3.385 -16.514 378 HE1 PHE 49 HE1 PHE 49 30.986 -3.275 -11.708 379 HE2 PHE 49 HE2 PHE 49 33.169 -1.772 -15.070 380 HZ PHE 49 HZ PHE 49 32.636 -1.735 -12.632 381 H LYS 50 H LYS 50 29.829 -2.214 -16.310 382 HA LYS 50 HA LYS 50 27.763 -1.558 -14.309 383 1HB LYS 50 1HB LYS 50 30.196 -1.329 -13.867 384 2HB LYS 50 2HB LYS 50 30.302 0.018 -14.966 385 1HG LYS 50 1HG LYS 50 28.152 0.208 -12.892 386 2HG LYS 50 2HG LYS 50 29.760 0.122 -12.231 387 1HD LYS 50 1HD LYS 50 30.492 2.095 -13.283 388 2HD LYS 50 2HD LYS 50 29.230 2.065 -14.501 389 1HE LYS 50 1HE LYS 50 28.698 2.478 -11.540 390 2HE LYS 50 2HE LYS 50 28.890 3.812 -12.673 391 1HZ LYS 50 1HZ LYS 50 27.073 1.901 -13.769 392 2HZ LYS 50 2HZ LYS 50 26.759 3.500 -13.368 393 3HZ LYS 50 3HZ LYS 50 26.558 2.300 -12.213 394 H GLY 51 H GLY 51 28.153 -0.695 -17.572 395 1HA GLY 51 1HA GLY 51 26.367 1.682 -17.175 396 2HA GLY 51 2HA GLY 51 27.403 1.420 -18.575 397 H LYS 52 H LYS 52 26.950 -0.775 -19.594 398 HA LYS 52 HA LYS 52 24.160 -0.844 -20.546 399 1HB LYS 52 1HB LYS 52 26.479 -2.695 -21.297 400 2HB LYS 52 2HB LYS 52 24.888 -2.742 -22.015 401 1HG LYS 52 1HG LYS 52 26.030 -1.571 -23.601 402 2HG LYS 52 2HG LYS 52 25.329 -0.248 -22.775 403 1HD LYS 52 1HD LYS 52 27.473 0.561 -22.390 404 2HD LYS 52 2HD LYS 52 27.779 -0.822 -21.390 405 1HE LYS 52 1HE LYS 52 28.178 -2.090 -23.655 406 2HE LYS 52 2HE LYS 52 28.246 -0.488 -24.365 407 1HZ LYS 52 1HZ LYS 52 29.787 -0.430 -22.056 408 2HZ LYS 52 2HZ LYS 52 30.376 -0.271 -23.599 409 3HZ LYS 52 3HZ LYS 52 30.211 -1.847 -22.889 410 H ALA 53 H ALA 53 25.929 -3.074 -18.583 411 HA ALA 53 HA ALA 53 24.123 -5.276 -18.817 412 1HB ALA 53 1HB ALA 53 26.242 -5.364 -17.263 413 2HB ALA 53 2HB ALA 53 24.850 -5.943 -16.373 414 3HB ALA 53 3HB ALA 53 25.412 -4.316 -16.126 415 H LYS 54 H LYS 54 24.157 -2.761 -16.448 416 HA LYS 54 HA LYS 54 21.567 -3.221 -15.361 417 1HB LYS 54 1HB LYS 54 21.920 -0.962 -14.413 418 2HB LYS 54 2HB LYS 54 23.339 -1.987 -14.276 419 1HG LYS 54 1HG LYS 54 24.292 -0.989 -16.415 420 2HG LYS 54 2HG LYS 54 22.897 0.038 -16.501 421 1HD LYS 54 1HD LYS 54 24.797 -0.070 -14.131 422 2HD LYS 54 2HD LYS 54 24.976 0.993 -15.523 423 1HE LYS 54 1HE LYS 54 22.518 1.025 -13.833 424 2HE LYS 54 2HE LYS 54 23.870 2.142 -13.648 425 1HZ LYS 54 1HZ LYS 54 21.871 2.343 -15.570 426 2HZ LYS 54 2HZ LYS 54 23.322 1.862 -16.404 427 3HZ LYS 54 3HZ LYS 54 23.224 3.242 -15.346 428 H TRP 55 H TRP 55 22.429 -1.575 -18.470 429 HA TRP 55 HA TRP 55 19.898 -0.149 -18.636 430 1HB TRP 55 1HB TRP 55 22.156 0.399 -19.852 431 2HB TRP 55 2HB TRP 55 21.865 -0.973 -20.882 432 HD1 TRP 55 HD1 TRP 55 20.438 2.497 -20.021 433 HE1 TRP 55 HE1 TRP 55 18.847 3.074 -21.917 434 HE3 TRP 55 HE3 TRP 55 20.355 -1.865 -22.655 435 HZ2 TRP 55 HZ2 TRP 55 17.683 1.968 -24.202 436 HZ3 TRP 55 HZ3 TRP 55 19.006 -2.062 -24.692 437 HH2 TRP 55 HH2 TRP 55 17.656 -0.160 -25.478 438 H ASP 56 H ASP 56 21.494 -2.806 -20.558 439 HA ASP 56 HA ASP 56 19.516 -4.055 -21.712 440 1HB ASP 56 1HB ASP 56 22.087 -4.640 -20.257 441 2HB ASP 56 2HB ASP 56 21.423 -6.029 -20.919 442 H ALA 57 H ALA 57 20.472 -4.880 -18.430 443 HA ALA 57 HA ALA 57 18.514 -6.617 -17.673 444 1HB ALA 57 1HB ALA 57 19.099 -5.837 -15.348 445 2HB ALA 57 2HB ALA 57 19.837 -4.390 -16.034 446 3HB ALA 57 3HB ALA 57 20.532 -5.974 -16.370 447 H TRP 58 H TRP 58 18.199 -3.072 -17.769 448 HA TRP 58 HA TRP 58 15.428 -3.192 -16.703 449 1HB TRP 58 1HB TRP 58 16.719 -1.150 -16.056 450 2HB TRP 58 2HB TRP 58 17.066 -0.853 -17.747 451 HD1 TRP 58 HD1 TRP 58 13.495 -2.037 -16.714 452 HE1 TRP 58 HE1 TRP 58 11.975 0.008 -17.279 453 HE3 TRP 58 HE3 TRP 58 16.891 1.512 -17.754 454 HZ2 TRP 58 HZ2 TRP 58 12.089 2.614 -17.940 455 HZ3 TRP 58 HZ3 TRP 58 16.176 3.844 -18.334 456 HH2 TRP 58 HH2 TRP 58 13.768 4.393 -18.437 457 H ASN 59 H ASN 59 17.035 -2.713 -19.778 458 HA ASN 59 HA ASN 59 14.799 -1.860 -21.368 459 1HB ASN 59 1HB ASN 59 17.161 -1.914 -22.282 460 2HB ASN 59 2HB ASN 59 17.132 -3.679 -22.235 461 1HD2 ASN 59 1HD2 ASN 59 16.148 -4.725 -23.970 462 2HD2 ASN 59 2HD2 ASN 59 15.220 -3.916 -25.149 463 H GLU 60 H GLU 60 16.081 -4.994 -20.426 464 HA GLU 60 HA GLU 60 14.382 -6.696 -21.765 465 1HB GLU 60 1HB GLU 60 16.597 -7.167 -20.697 466 2HB GLU 60 2HB GLU 60 15.889 -6.855 -19.124 467 1HG GLU 60 1HG GLU 60 14.362 -8.819 -19.399 468 2HG GLU 60 2HG GLU 60 15.009 -9.099 -21.003 469 H LEU 61 H LEU 61 13.604 -4.730 -19.092 470 HA LEU 61 HA LEU 61 11.153 -6.310 -18.551 471 1HB LEU 61 1HB LEU 61 12.330 -4.079 -16.834 472 2HB LEU 61 2HB LEU 61 11.098 -5.245 -16.372 473 HG LEU 61 HG LEU 61 14.067 -5.820 -16.854 474 1HD1 LEU 61 1HD1 LEU 61 13.411 -4.645 -14.740 475 2HD1 LEU 61 2HD1 LEU 61 13.982 -6.277 -14.427 476 3HD1 LEU 61 3HD1 LEU 61 12.262 -5.934 -14.411 477 1HD2 LEU 61 1HD2 LEU 61 12.629 -7.677 -17.595 478 2HD2 LEU 61 2HD2 LEU 61 11.798 -7.685 -16.039 479 3HD2 LEU 61 3HD2 LEU 61 13.514 -8.077 -16.135 480 H LYS 62 H LYS 62 12.354 -3.612 -20.104 481 HA LYS 62 HA LYS 62 11.148 -1.449 -19.858 482 1HB LYS 62 1HB LYS 62 12.451 -1.984 -21.743 483 2HB LYS 62 2HB LYS 62 11.331 -3.192 -22.304 484 1HG LYS 62 1HG LYS 62 9.746 -0.856 -22.424 485 2HG LYS 62 2HG LYS 62 11.340 -0.191 -22.595 486 1HD LYS 62 1HD LYS 62 10.625 -0.645 -24.790 487 2HD LYS 62 2HD LYS 62 11.840 -1.848 -24.385 488 1HE LYS 62 1HE LYS 62 9.831 -3.368 -23.640 489 2HE LYS 62 2HE LYS 62 8.809 -2.155 -24.389 490 1HZ LYS 62 1HZ LYS 62 9.271 -3.081 -26.386 491 2HZ LYS 62 2HZ LYS 62 10.347 -4.194 -25.667 492 3HZ LYS 62 3HZ LYS 62 10.899 -2.670 -26.151 493 H GLY 63 H GLY 63 8.982 -3.976 -21.017 494 1HA GLY 63 1HA GLY 63 6.844 -1.908 -20.891 495 2HA GLY 63 2HA GLY 63 6.767 -3.383 -21.820 496 H THR 64 H THR 64 7.625 -2.996 -18.479 497 HA THR 64 HA THR 64 5.415 -4.900 -17.789 498 HB THR 64 HB THR 64 7.500 -3.866 -15.740 499 HG1 THR 64 HG1 THR 64 8.427 -4.872 -17.600 500 1HG2 THR 64 1HG2 THR 64 6.070 -6.549 -16.017 501 2HG2 THR 64 2HG2 THR 64 5.515 -5.342 -14.850 502 3HG2 THR 64 3HG2 THR 64 7.107 -6.023 -14.720 503 H SER 65 H SER 65 4.295 -4.506 -15.874 504 HA SER 65 HA SER 65 3.119 -1.829 -15.762 505 1HB SER 65 1HB SER 65 1.739 -3.034 -13.930 506 2HB SER 65 2HB SER 65 1.584 -3.830 -15.515 507 HG SER 65 HG SER 65 2.384 -5.106 -13.510 508 H LYS 66 H LYS 66 4.008 -0.422 -14.440 509 HA LYS 66 HA LYS 66 6.371 -0.681 -13.090 510 1HB LYS 66 1HB LYS 66 3.953 1.103 -12.465 511 2HB LYS 66 2HB LYS 66 5.539 1.372 -11.777 512 1HG LYS 66 1HG LYS 66 6.468 1.356 -14.161 513 2HG LYS 66 2HG LYS 66 4.836 1.360 -14.756 514 1HD LYS 66 1HD LYS 66 4.425 3.517 -13.396 515 2HD LYS 66 2HD LYS 66 6.123 3.466 -12.968 516 1HE LYS 66 1HE LYS 66 5.885 4.964 -14.888 517 2HE LYS 66 2HE LYS 66 6.754 3.507 -15.336 518 1HZ LYS 66 1HZ LYS 66 4.015 2.978 -15.620 519 2HZ LYS 66 2HZ LYS 66 5.188 3.063 -16.855 520 3HZ LYS 66 3HZ LYS 66 4.315 4.462 -16.424 521 H GLU 67 H GLU 67 3.270 -0.915 -11.745 522 HA GLU 67 HA GLU 67 3.605 -1.491 -9.151 523 1HB GLU 67 1HB GLU 67 1.627 -2.321 -11.342 524 2HB GLU 67 2HB GLU 67 1.250 -2.620 -9.684 525 1HG GLU 67 1HG GLU 67 1.670 -0.012 -9.286 526 2HG GLU 67 2HG GLU 67 1.785 0.166 -11.019 527 H ASP 68 H ASP 68 3.618 -4.110 -11.592 528 HA ASP 68 HA ASP 68 4.064 -6.123 -9.536 529 1HB ASP 68 1HB ASP 68 4.076 -5.885 -12.535 530 2HB ASP 68 2HB ASP 68 4.537 -7.347 -11.759 531 H ALA 69 H ALA 69 5.944 -4.216 -11.576 532 HA ALA 69 HA ALA 69 8.521 -5.528 -11.058 533 1HB ALA 69 1HB ALA 69 8.032 -2.549 -11.724 534 2HB ALA 69 2HB ALA 69 8.187 -3.815 -12.913 535 3HB ALA 69 3HB ALA 69 9.562 -3.393 -11.899 536 H MET 70 H MET 70 6.650 -2.938 -9.565 537 HA MET 70 HA MET 70 8.418 -2.325 -7.423 538 1HB MET 70 1HB MET 70 5.286 -2.393 -7.409 539 2HB MET 70 2HB MET 70 6.211 -1.605 -6.170 540 1HG MET 70 1HG MET 70 7.113 -0.030 -7.747 541 2HG MET 70 2HG MET 70 6.373 -0.785 -9.089 542 1HE MET 70 1HE MET 70 5.875 2.678 -7.273 543 2HE MET 70 2HE MET 70 5.258 2.704 -8.940 544 3HE MET 70 3HE MET 70 6.753 1.881 -8.578 545 H LYS 71 H LYS 71 5.866 -4.752 -7.392 546 HA LYS 71 HA LYS 71 6.338 -5.782 -4.849 547 1HB LYS 71 1HB LYS 71 5.573 -7.174 -7.441 548 2HB LYS 71 2HB LYS 71 5.896 -8.177 -6.029 549 1HG LYS 71 1HG LYS 71 3.564 -7.756 -5.989 550 2HG LYS 71 2HG LYS 71 4.265 -6.697 -4.769 551 1HD LYS 71 1HD LYS 71 4.291 -4.806 -6.308 552 2HD LYS 71 2HD LYS 71 3.708 -5.851 -7.602 553 1HE LYS 71 1HE LYS 71 1.617 -6.153 -6.402 554 2HE LYS 71 2HE LYS 71 2.237 -5.145 -5.078 555 1HZ LYS 71 1HZ LYS 71 1.176 -4.242 -7.580 556 2HZ LYS 71 2HZ LYS 71 2.827 -3.892 -7.492 557 3HZ LYS 71 3HZ LYS 71 1.841 -3.301 -6.293 558 H ALA 72 H ALA 72 7.934 -7.133 -7.766 559 HA ALA 72 HA ALA 72 9.846 -8.663 -6.407 560 1HB ALA 72 1HB ALA 72 10.877 -8.501 -8.802 561 2HB ALA 72 2HB ALA 72 9.867 -7.100 -9.071 562 3HB ALA 72 3HB ALA 72 9.149 -8.677 -8.826 563 H TYR 73 H TYR 73 10.219 -5.239 -7.507 564 HA TYR 73 HA TYR 73 12.817 -4.806 -6.616 565 1HB TYR 73 1HB TYR 73 11.436 -3.222 -7.913 566 2HB TYR 73 2HB TYR 73 10.392 -2.974 -6.539 567 HD1 TYR 73 HD1 TYR 73 11.014 -1.329 -4.833 568 HD2 TYR 73 HD2 TYR 73 13.864 -2.625 -7.733 569 HE1 TYR 73 HE1 TYR 73 12.591 0.426 -4.117 570 HE2 TYR 73 HE2 TYR 73 15.395 -0.892 -6.989 571 HH TYR 73 HH TYR 73 15.607 0.983 -5.839 572 H ILE 74 H ILE 74 9.896 -4.220 -4.823 573 HA ILE 74 HA ILE 74 11.041 -3.515 -2.326 574 HB ILE 74 HB ILE 74 8.347 -4.774 -3.009 575 1HG1 ILE 74 1HG1 ILE 74 8.944 -1.818 -2.640 576 2HG1 ILE 74 2HG1 ILE 74 9.123 -2.552 -4.211 577 1HG2 ILE 74 1HG2 ILE 74 9.258 -2.954 -0.685 578 2HG2 ILE 74 2HG2 ILE 74 8.914 -4.675 -0.514 579 3HG2 ILE 74 3HG2 ILE 74 7.625 -3.552 -0.913 580 1HD1 ILE 74 1HD1 ILE 74 6.798 -3.383 -4.144 581 2HD1 ILE 74 2HD1 ILE 74 6.865 -1.627 -3.981 582 3HD1 ILE 74 3HD1 ILE 74 6.565 -2.627 -2.569 583 H ASP 75 H ASP 75 9.976 -6.590 -3.599 584 HA ASP 75 HA ASP 75 10.553 -8.125 -1.203 585 1HB ASP 75 1HB ASP 75 9.709 -8.529 -4.050 586 2HB ASP 75 2HB ASP 75 10.326 -9.920 -3.277 587 H LYS 76 H LYS 76 12.385 -6.786 -3.648 588 HA LYS 76 HA LYS 76 14.726 -8.639 -3.326 589 1HB LYS 76 1HB LYS 76 13.973 -7.515 -5.523 590 2HB LYS 76 2HB LYS 76 14.644 -6.035 -4.920 591 1HG LYS 76 1HG LYS 76 16.537 -7.054 -6.026 592 2HG LYS 76 2HG LYS 76 16.792 -7.594 -4.377 593 1HD LYS 76 1HD LYS 76 15.307 -9.660 -4.998 594 2HD LYS 76 2HD LYS 76 15.365 -9.123 -6.624 595 1HE LYS 76 1HE LYS 76 17.003 -10.821 -6.455 596 2HE LYS 76 2HE LYS 76 17.891 -9.307 -6.550 597 1HZ LYS 76 1HZ LYS 76 17.243 -9.804 -3.870 598 2HZ LYS 76 2HZ LYS 76 18.838 -9.855 -4.525 599 3HZ LYS 76 3HZ LYS 76 17.846 -11.220 -4.426 600 H VAL 77 H VAL 77 13.813 -5.292 -2.771 601 HA VAL 77 HA VAL 77 16.040 -4.359 -1.252 602 HB VAL 77 HB VAL 77 13.036 -3.768 -0.935 603 1HG1 VAL 77 1HG1 VAL 77 15.475 -2.347 0.269 604 2HG1 VAL 77 2HG1 VAL 77 14.286 -3.256 1.186 605 3HG1 VAL 77 3HG1 VAL 77 13.833 -1.766 0.390 606 1HG2 VAL 77 1HG2 VAL 77 15.350 -2.218 -2.265 607 2HG2 VAL 77 2HG2 VAL 77 13.707 -1.639 -2.214 608 3HG2 VAL 77 3HG2 VAL 77 14.098 -3.068 -3.149 609 H GLU 78 H GLU 78 13.093 -6.134 -0.235 610 HA GLU 78 HA GLU 78 13.690 -6.577 2.418 611 1HB GLU 78 1HB GLU 78 12.075 -7.725 0.267 612 2HB GLU 78 2HB GLU 78 12.546 -9.019 1.304 613 1HG GLU 78 1HG GLU 78 10.311 -7.625 1.778 614 2HG GLU 78 2HG GLU 78 11.292 -8.014 3.185 615 H GLU 79 H GLU 79 14.754 -8.754 -0.277 616 HA GLU 79 HA GLU 79 16.455 -10.434 1.185 617 1HB GLU 79 1HB GLU 79 16.490 -9.347 -1.600 618 2HB GLU 79 2HB GLU 79 17.912 -10.188 -1.069 619 1HG GLU 79 1HG GLU 79 16.463 -12.250 -0.656 620 2HG GLU 79 2HG GLU 79 15.073 -11.332 -1.237 621 H LEU 80 H LEU 80 17.109 -7.256 -0.020 622 HA LEU 80 HA LEU 80 19.939 -7.190 0.719 623 1HB LEU 80 1HB LEU 80 17.938 -5.060 -0.147 624 2HB LEU 80 2HB LEU 80 19.633 -4.696 0.122 625 HG LEU 80 HG LEU 80 18.702 -6.951 -1.743 626 1HD1 LEU 80 1HD1 LEU 80 19.637 -4.151 -2.441 627 2HD1 LEU 80 2HD1 LEU 80 17.970 -4.707 -2.520 628 3HD1 LEU 80 3HD1 LEU 80 19.206 -5.469 -3.525 629 1HD2 LEU 80 1HD2 LEU 80 21.080 -7.044 -0.820 630 2HD2 LEU 80 2HD2 LEU 80 21.301 -5.409 -1.398 631 3HD2 LEU 80 3HD2 LEU 80 21.038 -6.729 -2.524 632 H LYS 81 H LYS 81 17.105 -5.772 2.162 633 HA LYS 81 HA LYS 81 18.432 -4.546 4.390 634 1HB LYS 81 1HB LYS 81 16.099 -3.944 3.893 635 2HB LYS 81 2HB LYS 81 15.621 -5.601 3.688 636 1HG LYS 81 1HG LYS 81 15.578 -5.996 6.062 637 2HG LYS 81 2HG LYS 81 16.410 -4.503 6.409 638 1HD LYS 81 1HD LYS 81 14.460 -3.172 5.708 639 2HD LYS 81 2HD LYS 81 13.700 -4.550 4.939 640 1HE LYS 81 1HE LYS 81 12.608 -4.065 7.087 641 2HE LYS 81 2HE LYS 81 13.415 -5.620 7.188 642 1HZ LYS 81 1HZ LYS 81 14.937 -4.771 8.742 643 2HZ LYS 81 2HZ LYS 81 14.020 -3.350 8.874 644 3HZ LYS 81 3HZ LYS 81 15.236 -3.516 7.820 645 H LYS 82 H LYS 82 17.050 -7.772 3.856 646 HA LYS 82 HA LYS 82 17.886 -8.802 6.317 647 1HB LYS 82 1HB LYS 82 17.447 -10.109 3.622 648 2HB LYS 82 2HB LYS 82 17.655 -11.044 5.094 649 1HG LYS 82 1HG LYS 82 15.678 -9.914 6.077 650 2HG LYS 82 2HG LYS 82 15.446 -8.977 4.609 651 1HD LYS 82 1HD LYS 82 15.344 -11.159 3.307 652 2HD LYS 82 2HD LYS 82 15.376 -12.019 4.828 653 1HE LYS 82 1HE LYS 82 13.239 -10.065 3.933 654 2HE LYS 82 2HE LYS 82 13.065 -11.813 3.999 655 1HZ LYS 82 1HZ LYS 82 12.568 -10.031 6.071 656 2HZ LYS 82 2HZ LYS 82 14.026 -10.803 6.502 657 3HZ LYS 82 3HZ LYS 82 12.630 -11.720 6.193 658 H LYS 83 H LYS 83 19.578 -8.321 3.425 659 HA LYS 83 HA LYS 83 21.919 -9.954 4.200 660 1HB LYS 83 1HB LYS 83 21.396 -8.054 1.875 661 2HB LYS 83 2HB LYS 83 22.940 -8.837 2.092 662 1HG LYS 83 1HG LYS 83 22.105 -10.977 1.721 663 2HG LYS 83 2HG LYS 83 20.475 -10.545 2.166 664 1HD LYS 83 1HD LYS 83 20.200 -9.255 0.015 665 2HD LYS 83 2HD LYS 83 21.848 -9.613 -0.453 666 1HE LYS 83 1HE LYS 83 21.400 -11.989 -0.516 667 2HE LYS 83 2HE LYS 83 19.834 -11.785 0.239 668 1HZ LYS 83 1HZ LYS 83 18.962 -11.609 -1.860 669 2HZ LYS 83 2HZ LYS 83 20.467 -11.608 -2.563 670 3HZ LYS 83 3HZ LYS 83 19.828 -10.162 -2.100 671 H TYR 84 H TYR 84 21.305 -6.485 4.107 672 HA TYR 84 HA TYR 84 23.957 -5.985 5.309 673 1HB TYR 84 1HB TYR 84 21.935 -4.084 3.993 674 2HB TYR 84 2HB TYR 84 23.539 -3.613 4.569 675 HD1 TYR 84 HD1 TYR 84 21.806 -5.001 1.615 676 HD2 TYR 84 HD2 TYR 84 25.512 -5.156 3.819 677 HE1 TYR 84 HE1 TYR 84 22.895 -5.991 -0.215 678 HE2 TYR 84 HE2 TYR 84 26.558 -6.169 1.828 679 HH TYR 84 HH TYR 84 25.085 -7.637 -0.336 680 H GLY 85 H GLY 85 20.634 -5.871 6.612 681 1HA GLY 85 1HA GLY 85 20.622 -5.812 9.056 682 2HA GLY 85 2HA GLY 85 21.993 -4.768 9.050 683 H ILE 86 H ILE 86 19.103 -3.911 7.178 684 HA ILE 86 HA ILE 86 18.670 -1.725 9.161 685 HB ILE 86 HB ILE 86 19.321 -1.172 6.757 686 1HG1 ILE 86 1HG1 ILE 86 16.457 -0.451 7.374 687 2HG1 ILE 86 2HG1 ILE 86 17.804 0.358 8.133 688 1HG2 ILE 86 1HG2 ILE 86 18.140 -3.181 5.766 689 2HG2 ILE 86 2HG2 ILE 86 17.667 -1.700 4.949 690 3HG2 ILE 86 3HG2 ILE 86 16.615 -2.409 6.149 691 1HD1 ILE 86 1HD1 ILE 86 17.022 1.708 6.190 692 2HD1 ILE 86 2HD1 ILE 86 17.215 0.355 5.103 693 3HD1 ILE 86 3HD1 ILE 86 18.621 1.087 5.847 694 AH2 COA 1 AH2 COA 1 17.626 0.553 -8.423 695 AH61 COA 1 AH61 COA 1 16.847 3.779 -4.411 696 AH62 COA 1 AH62 COA 1 16.057 2.252 -4.755 697 AH8 COA 1 AH8 COA 1 20.025 6.427 -7.186 698 AH1* COA 1 AH1* COA 1 20.552 3.712 -9.980 699 AH2* COA 1 AH2* COA 1 19.844 6.664 -9.880 700 AHO2 COA 1 AHO2 COA 1 20.181 5.346 -12.192 701 AH3* COA 1 AH3* COA 1 21.802 7.128 -11.223 702 AH4* COA 1 AH4* COA 1 23.443 5.467 -9.848 703 AH51 COA 1 AH51 COA 1 22.735 6.616 -7.615 704 AH52 COA 1 AH52 COA 1 23.440 7.682 -8.803 705 1H12 COA 1 1H12 COA 1 23.557 5.949 -4.340 706 2H12 COA 1 2H12 COA 1 22.682 6.015 -5.816 707 1H13 COA 1 1H13 COA 1 26.950 5.791 -5.593 708 2H13 COA 1 2H13 COA 1 26.027 7.195 -5.098 709 3H13 COA 1 3H13 COA 1 25.884 5.729 -4.173 710 1H14 COA 1 1H14 COA 1 25.135 7.430 -7.312 711 2H14 COA 1 2H14 COA 1 24.532 5.993 -8.151 712 3H14 COA 1 3H14 COA 1 26.182 6.061 -7.691 713 H10 COA 1 H10 COA 1 24.521 3.823 -5.139 714 HO1 COA 1 HO1 COA 1 23.205 4.581 -7.554 715 HN8 COA 1 HN8 COA 1 26.492 2.897 -5.047 716 1H7 COA 1 1H7 COA 1 27.814 1.188 -6.087 717 2H7 COA 1 2H7 COA 1 27.800 2.093 -7.583 718 1H6 COA 1 1H6 COA 1 30.019 2.422 -6.351 719 2H6 COA 1 2H6 COA 1 29.157 3.931 -6.562 720 HN4 COA 1 HN4 COA 1 27.807 4.559 -4.775 721 1H3 COA 1 1H3 COA 1 28.971 3.935 -2.077 722 2H3 COA 1 2H3 COA 1 28.481 5.556 -2.552 723 1H2 COA 1 1H2 COA 1 26.801 3.954 -1.196 724 2H2 COA 1 2H2 COA 1 26.146 5.025 -2.390 725 1H2 PLY 2 1H2 PLY 2 23.324 3.002 -3.352 726 2H2 PLY 2 2H2 PLY 2 22.795 1.774 -2.122 727 1H3 PLY 2 1H3 PLY 2 24.344 1.283 -4.719 728 2H3 PLY 2 2H3 PLY 2 24.030 0.024 -3.561 729 1H4 PLY 2 1H4 PLY 2 21.396 1.223 -4.181 730 2H4 PLY 2 2H4 PLY 2 21.970 -0.413 -4.525 731 1H5 PLY 2 1H5 PLY 2 22.992 0.247 -6.501 732 2H5 PLY 2 2H5 PLY 2 22.544 1.933 -6.160 733 1H6 PLY 2 1H6 PLY 2 20.371 1.629 -6.602 734 2H6 PLY 2 2H6 PLY 2 20.374 -0.079 -6.187 735 1H7 PLY 2 1H7 PLY 2 20.174 0.229 -8.651 736 2H7 PLY 2 2H7 PLY 2 21.608 -0.647 -8.200 737 1H8 PLY 2 1H8 PLY 2 21.710 2.358 -8.756 738 2H8 PLY 2 2H8 PLY 2 21.857 1.175 -10.031 739 1H9 PLY 2 1H9 PLY 2 23.766 1.711 -7.794 740 2H9 PLY 2 2H9 PLY 2 23.797 0.172 -8.630 741 1HA PLY 2 1HA PLY 2 24.382 2.985 -9.521 742 2HA PLY 2 2HA PLY 2 23.691 1.969 -10.744 743 1HB PLY 2 1HB PLY 2 25.986 0.848 -9.135 744 2HB PLY 2 2HB PLY 2 26.368 2.089 -10.292 745 1HC PLY 2 1HC PLY 2 24.953 0.570 -11.972 746 2HC PLY 2 2HC PLY 2 26.538 -0.034 -11.490 747 1HD PLY 2 1HD PLY 2 25.503 -1.489 -9.782 748 2HD PLY 2 2HD PLY 2 23.875 -0.932 -10.213 749 1HE PLY 2 1HE PLY 2 24.338 -3.013 -10.951 750 2HE PLY 2 2HE PLY 2 24.024 -1.915 -12.279 751 1HF PLY 2 1HF PLY 2 26.861 -2.513 -11.267 752 2HF PLY 2 2HF PLY 2 26.402 -1.730 -12.776 753 1HG PLY 2 1HG PLY 2 25.845 -4.585 -12.066 754 2HG PLY 2 2HG PLY 2 25.470 -3.810 -13.612 755 3HG PLY 2 3HG PLY 2 27.150 -4.045 -13.096 Start of MODEL 15 1 1H SER 1 1H SER 1 4.594 4.729 -7.914 2 2H SER 1 2H SER 1 4.171 6.271 -7.399 3 H SER 1 H SER 1 4.489 5.085 -6.240 4 HA SER 1 HA SER 1 2.035 5.721 -7.580 5 1HB SER 1 1HB SER 1 2.764 2.765 -7.950 6 2HB SER 1 2HB SER 1 1.388 3.656 -8.635 7 HG SER 1 HG SER 1 3.236 3.571 -10.102 8 H GLN 2 H GLN 2 3.500 2.982 -5.766 9 HA GLN 2 HA GLN 2 1.302 3.298 -3.752 10 1HB GLN 2 1HB GLN 2 1.570 0.860 -3.297 11 2HB GLN 2 2HB GLN 2 1.401 1.042 -5.023 12 1HG GLN 2 1HG GLN 2 3.965 0.989 -5.224 13 2HG GLN 2 2HG GLN 2 4.028 0.624 -3.518 14 1HE2 GLN 2 1HE2 GLN 2 4.280 -1.384 -2.975 15 2HE2 GLN 2 2HE2 GLN 2 3.822 -2.713 -3.966 16 H ALA 3 H ALA 3 2.139 4.554 -2.189 17 HA ALA 3 HA ALA 3 4.546 5.444 -1.467 18 1HB ALA 3 1HB ALA 3 3.751 5.485 0.897 19 2HB ALA 3 2HB ALA 3 2.493 4.338 0.496 20 3HB ALA 3 3HB ALA 3 2.488 5.942 -0.229 21 H GLU 4 H GLU 4 3.838 2.099 -0.980 22 HA GLU 4 HA GLU 4 6.081 1.591 0.751 23 1HB GLU 4 1HB GLU 4 3.895 -0.007 -0.584 24 2HB GLU 4 2HB GLU 4 5.237 -0.884 0.052 25 1HG GLU 4 1HG GLU 4 3.205 0.816 1.616 26 2HG GLU 4 2HG GLU 4 3.506 -0.897 1.809 27 H PHE 5 H PHE 5 5.627 1.438 -2.538 28 HA PHE 5 HA PHE 5 8.036 -0.118 -3.059 29 1HB PHE 5 1HB PHE 5 6.306 -0.140 -4.752 30 2HB PHE 5 2HB PHE 5 6.061 1.566 -4.449 31 HD1 PHE 5 HD1 PHE 5 8.847 -0.718 -5.577 32 HD2 PHE 5 HD2 PHE 5 6.967 3.048 -6.124 33 HE1 PHE 5 HE1 PHE 5 10.436 -0.185 -7.383 34 HE2 PHE 5 HE2 PHE 5 8.545 3.581 -7.928 35 HZ PHE 5 HZ PHE 5 10.283 1.976 -8.550 36 H ASP 6 H ASP 6 6.904 3.199 -3.586 37 HA ASP 6 HA ASP 6 9.358 4.343 -4.151 38 1HB ASP 6 1HB ASP 6 6.854 5.329 -2.643 39 2HB ASP 6 2HB ASP 6 8.048 6.385 -3.337 40 H LYS 7 H LYS 7 7.860 3.938 -1.075 41 HA LYS 7 HA LYS 7 9.763 4.938 0.675 42 1HB LYS 7 1HB LYS 7 7.752 4.027 1.623 43 2HB LYS 7 2HB LYS 7 7.971 2.517 0.788 44 1HG LYS 7 1HG LYS 7 10.102 2.144 2.385 45 2HG LYS 7 2HG LYS 7 9.398 3.455 3.311 46 1HD LYS 7 1HD LYS 7 7.496 2.168 3.935 47 2HD LYS 7 2HD LYS 7 7.549 1.240 2.468 48 1HE LYS 7 1HE LYS 7 8.057 -0.212 4.322 49 2HE LYS 7 2HE LYS 7 9.477 -0.069 3.291 50 1HZ LYS 7 1HZ LYS 7 9.304 0.526 6.016 51 2HZ LYS 7 2HZ LYS 7 9.527 2.016 5.197 52 3HZ LYS 7 3HZ LYS 7 10.643 0.800 5.032 53 H ALA 8 H ALA 8 9.804 1.803 -0.837 54 HA ALA 8 HA ALA 8 12.103 0.722 0.481 55 1HB ALA 8 1HB ALA 8 10.428 -0.586 -0.855 56 2HB ALA 8 2HB ALA 8 12.039 -0.942 -1.434 57 3HB ALA 8 3HB ALA 8 10.993 0.147 -2.338 58 H ALA 9 H ALA 9 11.840 2.808 -2.438 59 HA ALA 9 HA ALA 9 14.509 2.687 -3.243 60 1HB ALA 9 1HB ALA 9 12.626 5.101 -3.152 61 2HB ALA 9 2HB ALA 9 12.635 3.880 -4.403 62 3HB ALA 9 3HB ALA 9 14.007 4.964 -4.228 63 H GLU 10 H GLU 10 13.103 4.967 -0.845 64 HA GLU 10 HA GLU 10 15.366 6.404 -0.125 65 1HB GLU 10 1HB GLU 10 13.141 5.297 1.693 66 2HB GLU 10 2HB GLU 10 14.381 6.356 2.314 67 1HG GLU 10 1HG GLU 10 12.612 7.843 1.940 68 2HG GLU 10 2HG GLU 10 13.512 8.038 0.458 69 H GLU 11 H GLU 11 14.186 3.564 1.352 70 HA GLU 11 HA GLU 11 16.144 2.925 3.154 71 1HB GLU 11 1HB GLU 11 14.383 1.029 1.599 72 2HB GLU 11 2HB GLU 11 15.262 0.646 3.070 73 1HG GLU 11 1HG GLU 11 13.914 3.136 3.613 74 2HG GLU 11 2HG GLU 11 12.786 2.135 2.811 75 H VAL 12 H VAL 12 15.982 1.603 -0.242 76 HA VAL 12 HA VAL 12 18.348 0.074 -0.063 77 HB VAL 12 HB VAL 12 16.366 0.412 -1.901 78 1HG1 VAL 12 1HG1 VAL 12 18.810 1.703 -3.197 79 2HG1 VAL 12 2HG1 VAL 12 17.271 2.500 -2.865 80 3HG1 VAL 12 3HG1 VAL 12 17.357 1.181 -4.012 81 1HG2 VAL 12 1HG2 VAL 12 17.884 -1.555 -1.670 82 2HG2 VAL 12 2HG2 VAL 12 19.172 -0.637 -2.456 83 3HG2 VAL 12 3HG2 VAL 12 17.727 -1.081 -3.349 84 H LYS 13 H LYS 13 17.798 3.484 -1.199 85 HA LYS 13 HA LYS 13 20.557 3.999 -1.721 86 1HB LYS 13 1HB LYS 13 18.039 5.597 -1.197 87 2HB LYS 13 2HB LYS 13 19.550 6.424 -1.322 88 1HG LYS 13 1HG LYS 13 19.218 4.410 -3.510 89 2HG LYS 13 2HG LYS 13 17.853 5.485 -3.438 90 1HD LYS 13 1HD LYS 13 19.469 6.302 -5.067 91 2HD LYS 13 2HD LYS 13 19.217 7.464 -3.805 92 1HE LYS 13 1HE LYS 13 21.428 6.935 -2.817 93 2HE LYS 13 2HE LYS 13 21.634 5.623 -3.978 94 1HZ LYS 13 1HZ LYS 13 22.496 7.266 -5.435 95 2HZ LYS 13 2HZ LYS 13 22.198 8.432 -4.485 96 3HZ LYS 13 3HZ LYS 13 20.946 7.891 -5.480 97 H HIS 14 H HIS 14 18.845 3.573 1.091 98 HA HIS 14 HA HIS 14 20.863 4.989 2.824 99 1HB HIS 14 1HB HIS 14 18.236 3.626 3.476 100 2HB HIS 14 2HB HIS 14 19.371 3.959 4.768 101 HD1 HIS 14 HD1 HIS 14 17.057 5.512 2.578 102 HD2 HIS 14 HD2 HIS 14 19.879 6.815 5.178 103 HE1 HIS 14 HE1 HIS 14 16.604 7.971 2.943 104 H LEU 15 H LEU 15 20.355 1.834 1.596 105 HA LEU 15 HA LEU 15 21.428 0.089 3.537 106 1HB LEU 15 1HB LEU 15 22.005 0.223 0.566 107 2HB LEU 15 2HB LEU 15 22.653 -1.063 1.549 108 HG LEU 15 HG LEU 15 19.665 -0.546 1.471 109 1HD1 LEU 15 1HD1 LEU 15 20.561 -0.892 -0.826 110 2HD1 LEU 15 2HD1 LEU 15 19.648 -2.290 -0.291 111 3HD1 LEU 15 3HD1 LEU 15 21.410 -2.335 -0.284 112 1HD2 LEU 15 1HD2 LEU 15 21.368 -3.060 1.955 113 2HD2 LEU 15 2HD2 LEU 15 19.616 -2.949 2.111 114 3HD2 LEU 15 3HD2 LEU 15 20.662 -2.083 3.228 115 H LYS 16 H LYS 16 23.278 0.380 4.809 116 HA LYS 16 HA LYS 16 25.254 2.303 4.207 117 1HB LYS 16 1HB LYS 16 25.161 0.006 6.229 118 2HB LYS 16 2HB LYS 16 26.209 1.401 6.334 119 1HG LYS 16 1HG LYS 16 24.481 2.209 7.687 120 2HG LYS 16 2HG LYS 16 23.858 2.758 6.147 121 1HD LYS 16 1HD LYS 16 22.311 0.677 6.044 122 2HD LYS 16 2HD LYS 16 23.029 0.120 7.526 123 1HE LYS 16 1HE LYS 16 20.841 1.044 7.897 124 2HE LYS 16 2HE LYS 16 22.012 2.128 8.616 125 1HZ LYS 16 1HZ LYS 16 21.623 2.933 5.896 126 2HZ LYS 16 2HZ LYS 16 21.217 3.767 7.322 127 3HZ LYS 16 3HZ LYS 16 20.107 2.720 6.588 128 H THR 17 H THR 17 24.878 -0.380 2.565 129 HA THR 17 HA THR 17 27.649 -0.526 1.666 130 HB THR 17 HB THR 17 26.054 -2.857 2.858 131 HG1 THR 17 HG1 THR 17 28.032 -1.127 3.560 132 1HG2 THR 17 1HG2 THR 17 27.967 -4.274 2.189 133 2HG2 THR 17 2HG2 THR 17 28.777 -2.926 1.436 134 3HG2 THR 17 3HG2 THR 17 27.317 -3.586 0.708 135 H LYS 18 H LYS 18 27.735 -1.357 -0.477 136 HA LYS 18 HA LYS 18 25.141 -1.111 -1.859 137 1HB LYS 18 1HB LYS 18 26.473 -0.882 -3.897 138 2HB LYS 18 2HB LYS 18 27.014 0.220 -2.670 139 1HG LYS 18 1HG LYS 18 28.575 -2.377 -2.938 140 2HG LYS 18 2HG LYS 18 28.716 -1.207 -4.198 141 1HD LYS 18 1HD LYS 18 29.470 0.511 -2.673 142 2HD LYS 18 2HD LYS 18 29.143 -0.437 -1.247 143 1HE LYS 18 1HE LYS 18 30.960 -1.959 -1.854 144 2HE LYS 18 2HE LYS 18 31.136 -1.169 -3.422 145 1HZ LYS 18 1HZ LYS 18 31.144 0.829 -1.465 146 2HZ LYS 18 2HZ LYS 18 32.454 0.386 -2.450 147 3HZ LYS 18 3HZ LYS 18 32.243 -0.337 -0.928 148 HA PRO 19 HA PRO 19 25.213 -5.562 -1.460 149 1HB PRO 19 1HB PRO 19 22.915 -5.150 -3.378 150 2HB PRO 19 2HB PRO 19 23.000 -6.260 -2.019 151 1HG PRO 19 1HG PRO 19 21.720 -3.968 -1.554 152 2HG PRO 19 2HG PRO 19 23.032 -4.298 -0.413 153 1HD PRO 19 1HD PRO 19 23.226 -2.649 -2.988 154 2HD PRO 19 2HD PRO 19 23.589 -2.146 -1.306 155 H ALA 20 H ALA 20 25.202 -7.445 -2.952 156 HA ALA 20 HA ALA 20 27.354 -7.308 -4.765 157 1HB ALA 20 1HB ALA 20 24.910 -9.128 -4.993 158 2HB ALA 20 2HB ALA 20 26.310 -9.453 -3.989 159 3HB ALA 20 3HB ALA 20 26.473 -9.431 -5.743 160 H ASP 21 H ASP 21 27.648 -6.447 -6.895 161 HA ASP 21 HA ASP 21 25.960 -4.621 -8.032 162 1HB ASP 21 1HB ASP 21 27.921 -6.634 -9.288 163 2HB ASP 21 2HB ASP 21 27.300 -5.253 -10.160 164 H GLU 22 H GLU 22 25.786 -8.161 -8.807 165 HA GLU 22 HA GLU 22 23.769 -7.929 -10.696 166 1HB GLU 22 1HB GLU 22 24.071 -10.222 -8.665 167 2HB GLU 22 2HB GLU 22 23.257 -10.364 -10.206 168 1HG GLU 22 1HG GLU 22 25.492 -11.401 -10.328 169 2HG GLU 22 2HG GLU 22 25.482 -9.986 -11.366 170 H GLU 23 H GLU 23 23.551 -7.659 -7.358 171 HA GLU 23 HA GLU 23 20.582 -7.975 -7.212 172 1HB GLU 23 1HB GLU 23 22.563 -7.074 -4.930 173 2HB GLU 23 2HB GLU 23 20.831 -7.223 -4.820 174 1HG GLU 23 1HG GLU 23 21.127 -9.670 -5.468 175 2HG GLU 23 2HG GLU 23 22.859 -9.399 -5.326 176 H MET 24 H MET 24 23.020 -5.485 -6.783 177 HA MET 24 HA MET 24 21.475 -3.133 -6.578 178 1HB MET 24 1HB MET 24 24.095 -3.820 -7.957 179 2HB MET 24 2HB MET 24 23.595 -2.180 -7.992 180 1HG MET 24 1HG MET 24 23.378 -2.491 -5.365 181 2HG MET 24 2HG MET 24 24.296 -3.944 -5.656 182 1HE MET 24 1HE MET 24 25.589 0.262 -6.597 183 2HE MET 24 2HE MET 24 24.646 0.033 -5.109 184 3HE MET 24 3HE MET 24 24.017 -0.457 -6.671 185 H LEU 25 H LEU 25 22.645 -4.759 -9.393 186 HA LEU 25 HA LEU 25 21.505 -3.496 -11.498 187 1HB LEU 25 1HB LEU 25 22.389 -6.287 -10.857 188 2HB LEU 25 2HB LEU 25 21.538 -6.096 -12.333 189 HG LEU 25 HG LEU 25 24.039 -4.649 -11.494 190 1HD1 LEU 25 1HD1 LEU 25 23.630 -6.764 -13.629 191 2HD1 LEU 25 2HD1 LEU 25 24.549 -6.943 -12.147 192 3HD1 LEU 25 3HD1 LEU 25 25.120 -5.861 -13.367 193 1HD2 LEU 25 1HD2 LEU 25 23.938 -3.870 -13.991 194 2HD2 LEU 25 2HD2 LEU 25 22.554 -3.276 -13.113 195 3HD2 LEU 25 3HD2 LEU 25 22.410 -4.707 -14.113 196 H PHE 26 H PHE 26 20.103 -6.237 -9.778 197 HA PHE 26 HA PHE 26 17.629 -6.449 -11.189 198 1HB PHE 26 1HB PHE 26 18.239 -8.071 -9.402 199 2HB PHE 26 2HB PHE 26 18.173 -6.843 -8.171 200 HD1 PHE 26 HD1 PHE 26 15.754 -5.594 -7.922 201 HD2 PHE 26 HD2 PHE 26 16.369 -9.433 -9.690 202 HE1 PHE 26 HE1 PHE 26 13.422 -6.153 -7.537 203 HE2 PHE 26 HE2 PHE 26 13.996 -9.971 -9.291 204 HZ PHE 26 HZ PHE 26 12.520 -8.283 -8.198 205 H ILE 27 H ILE 27 18.366 -4.698 -8.310 206 HA ILE 27 HA ILE 27 16.017 -3.138 -8.057 207 HB ILE 27 HB ILE 27 18.851 -3.132 -7.039 208 1HG1 ILE 27 1HG1 ILE 27 17.127 -4.741 -6.176 209 2HG1 ILE 27 2HG1 ILE 27 17.834 -3.749 -4.943 210 1HG2 ILE 27 1HG2 ILE 27 18.375 -1.318 -5.459 211 2HG2 ILE 27 2HG2 ILE 27 16.894 -0.961 -6.276 212 3HG2 ILE 27 3HG2 ILE 27 18.435 -0.741 -7.109 213 1HD1 ILE 27 1HD1 ILE 27 15.098 -3.260 -6.213 214 2HD1 ILE 27 2HD1 ILE 27 15.828 -2.279 -4.954 215 3HD1 ILE 27 3HD1 ILE 27 15.392 -3.939 -4.632 216 H TYR 28 H TYR 28 19.064 -1.913 -9.624 217 HA TYR 28 HA TYR 28 18.095 0.676 -10.256 218 1HB TYR 28 1HB TYR 28 20.404 0.027 -10.867 219 2HB TYR 28 2HB TYR 28 19.811 -1.129 -12.045 220 HD1 TYR 28 HD1 TYR 28 19.272 -0.295 -14.319 221 HD2 TYR 28 HD2 TYR 28 19.789 2.422 -11.116 222 HE1 TYR 28 HE1 TYR 28 19.166 1.605 -15.898 223 HE2 TYR 28 HE2 TYR 28 19.655 4.312 -12.700 224 HH TYR 28 HH TYR 28 19.695 4.970 -14.795 225 H SER 29 H SER 29 17.909 -2.132 -12.404 226 HA SER 29 HA SER 29 16.081 -0.974 -14.247 227 1HB SER 29 1HB SER 29 15.885 -3.903 -14.174 228 2HB SER 29 2HB SER 29 16.703 -2.869 -15.343 229 HG SER 29 HG SER 29 17.697 -3.994 -12.945 230 H HIS 30 H HIS 30 15.276 -3.335 -11.547 231 HA HIS 30 HA HIS 30 12.484 -3.308 -11.972 232 1HB HIS 30 1HB HIS 30 14.288 -3.772 -9.591 233 2HB HIS 30 2HB HIS 30 12.582 -3.520 -9.240 234 HD1 HIS 30 HD1 HIS 30 11.004 -5.285 -10.045 235 HD2 HIS 30 HD2 HIS 30 14.807 -6.097 -11.274 236 HE1 HIS 30 HE1 HIS 30 10.960 -7.585 -10.988 237 H TYR 31 H TYR 31 14.383 -1.051 -9.897 238 HA TYR 31 HA TYR 31 12.297 0.657 -9.173 239 1HB TYR 31 1HB TYR 31 14.585 0.591 -8.277 240 2HB TYR 31 2HB TYR 31 15.247 1.050 -9.803 241 HD1 TYR 31 HD1 TYR 31 15.908 3.108 -10.072 242 HD2 TYR 31 HD2 TYR 31 12.820 2.474 -7.235 243 HE1 TYR 31 HE1 TYR 31 15.989 5.481 -9.460 244 HE2 TYR 31 HE2 TYR 31 12.919 4.871 -6.607 245 HH TYR 31 HH TYR 31 13.873 6.934 -7.150 246 H LYS 32 H LYS 32 14.604 1.161 -11.826 247 HA LYS 32 HA LYS 32 13.463 3.233 -13.264 248 1HB LYS 32 1HB LYS 32 14.848 0.747 -14.199 249 2HB LYS 32 2HB LYS 32 14.558 2.121 -15.205 250 1HG LYS 32 1HG LYS 32 15.870 2.410 -12.446 251 2HG LYS 32 2HG LYS 32 16.912 1.964 -13.720 252 1HD LYS 32 1HD LYS 32 15.209 4.498 -13.227 253 2HD LYS 32 2HD LYS 32 16.951 4.419 -13.226 254 1HE LYS 32 1HE LYS 32 15.075 4.462 -15.584 255 2HE LYS 32 2HE LYS 32 16.498 5.465 -15.270 256 1HZ LYS 32 1HZ LYS 32 17.224 2.775 -15.201 257 2HZ LYS 32 2HZ LYS 32 17.840 3.955 -16.176 258 3HZ LYS 32 3HZ LYS 32 16.471 3.014 -16.696 259 H GLN 33 H GLN 33 12.518 -0.122 -13.623 260 HA GLN 33 HA GLN 33 10.537 0.296 -15.707 261 1HB GLN 33 1HB GLN 33 11.127 -1.930 -13.693 262 2HB GLN 33 2HB GLN 33 9.858 -2.079 -14.889 263 1HG GLN 33 1HG GLN 33 12.114 -3.199 -15.433 264 2HG GLN 33 2HG GLN 33 11.442 -2.219 -16.700 265 1HE2 GLN 33 1HE2 GLN 33 12.360 0.336 -16.091 266 2HE2 GLN 33 2HE2 GLN 33 14.079 0.250 -16.057 267 H ALA 34 H ALA 34 10.341 -0.280 -12.215 268 HA ALA 34 HA ALA 34 7.534 0.189 -11.995 269 1HB ALA 34 1HB ALA 34 8.122 0.294 -9.582 270 2HB ALA 34 2HB ALA 34 9.823 0.393 -10.022 271 3HB ALA 34 3HB ALA 34 8.911 -1.065 -10.355 272 H THR 35 H THR 35 10.120 2.274 -12.552 273 HA THR 35 HA THR 35 8.586 4.709 -11.686 274 HB THR 35 HB THR 35 10.866 5.902 -11.763 275 HG1 THR 35 HG1 THR 35 11.970 3.396 -11.788 276 1HG2 THR 35 1HG2 THR 35 10.841 3.376 -10.049 277 2HG2 THR 35 2HG2 THR 35 10.120 4.898 -9.573 278 3HG2 THR 35 3HG2 THR 35 11.858 4.788 -9.824 279 H VAL 36 H VAL 36 10.977 4.110 -14.201 280 HA VAL 36 HA VAL 36 9.933 6.341 -15.843 281 HB VAL 36 HB VAL 36 12.296 4.367 -16.535 282 1HG1 VAL 36 1HG1 VAL 36 12.938 6.123 -18.150 283 2HG1 VAL 36 2HG1 VAL 36 11.574 7.107 -17.701 284 3HG1 VAL 36 3HG1 VAL 36 11.324 5.589 -18.541 285 1HG2 VAL 36 1HG2 VAL 36 12.267 7.140 -15.299 286 2HG2 VAL 36 2HG2 VAL 36 13.694 6.220 -15.741 287 3HG2 VAL 36 3HG2 VAL 36 12.655 5.660 -14.435 288 H GLY 37 H GLY 37 10.255 2.898 -16.272 289 1HA GLY 37 1HA GLY 37 8.333 1.538 -17.187 290 2HA GLY 37 2HA GLY 37 7.975 2.888 -18.290 291 H ASP 38 H ASP 38 8.491 2.247 -20.371 292 HA ASP 38 HA ASP 38 10.321 0.104 -20.808 293 1HB ASP 38 1HB ASP 38 8.710 2.047 -22.509 294 2HB ASP 38 2HB ASP 38 9.826 1.004 -23.345 295 H ILE 39 H ILE 39 12.044 0.512 -22.755 296 HA ILE 39 HA ILE 39 13.693 2.804 -21.760 297 HB ILE 39 HB ILE 39 14.495 0.215 -21.661 298 1HG1 ILE 39 1HG1 ILE 39 16.395 2.228 -22.942 299 2HG1 ILE 39 2HG1 ILE 39 15.815 2.526 -21.322 300 1HG2 ILE 39 1HG2 ILE 39 15.787 -0.440 -23.712 301 2HG2 ILE 39 2HG2 ILE 39 15.297 1.017 -24.542 302 3HG2 ILE 39 3HG2 ILE 39 14.115 -0.208 -24.151 303 1HD1 ILE 39 1HD1 ILE 39 17.338 0.039 -22.280 304 2HD1 ILE 39 2HD1 ILE 39 16.614 0.212 -20.699 305 3HD1 ILE 39 3HD1 ILE 39 17.925 1.258 -21.160 306 H ASN 40 H ASN 40 14.336 4.290 -23.354 307 HA ASN 40 HA ASN 40 13.446 3.827 -26.126 308 1HB ASN 40 1HB ASN 40 12.847 6.325 -26.041 309 2HB ASN 40 2HB ASN 40 11.770 5.270 -25.149 310 1HD2 ASN 40 1HD2 ASN 40 14.740 5.895 -23.312 311 2HD2 ASN 40 2HD2 ASN 40 13.929 7.044 -22.347 312 H THR 41 H THR 41 15.992 3.775 -24.423 313 HA THR 41 HA THR 41 17.694 5.544 -26.151 314 HB THR 41 HB THR 41 18.984 6.125 -24.190 315 HG1 THR 41 HG1 THR 41 20.012 4.254 -23.877 316 1HG2 THR 41 1HG2 THR 41 16.877 4.550 -22.600 317 2HG2 THR 41 2HG2 THR 41 16.663 6.240 -23.088 318 3HG2 THR 41 3HG2 THR 41 17.946 5.780 -21.983 319 H GLU 42 H GLU 42 20.033 4.385 -26.210 320 HA GLU 42 HA GLU 42 19.581 1.502 -26.862 321 1HB GLU 42 1HB GLU 42 21.101 1.798 -28.711 322 2HB GLU 42 2HB GLU 42 19.981 3.148 -28.736 323 1HG GLU 42 1HG GLU 42 21.608 4.641 -27.654 324 2HG GLU 42 2HG GLU 42 22.726 3.305 -27.438 325 H ARG 43 H ARG 43 21.430 0.217 -26.653 326 HA ARG 43 HA ARG 43 22.599 -0.221 -24.259 327 1HB ARG 43 1HB ARG 43 22.331 -1.580 -26.359 328 2HB ARG 43 2HB ARG 43 23.792 -0.832 -26.968 329 1HG ARG 43 1HG ARG 43 25.124 -1.854 -25.209 330 2HG ARG 43 2HG ARG 43 23.683 -2.433 -24.366 331 1HD ARG 43 1HD ARG 43 23.033 -3.784 -26.335 332 2HD ARG 43 2HD ARG 43 24.454 -3.243 -27.224 333 HE ARG 43 HE ARG 43 25.832 -4.457 -25.407 334 1HH1 ARG 43 1HH1 ARG 43 23.683 -4.915 -23.639 335 2HH1 ARG 43 2HH1 ARG 43 23.265 -6.556 -23.797 336 1HH2 ARG 43 1HH2 ARG 43 25.038 -6.553 -26.866 337 2HH2 ARG 43 2HH2 ARG 43 24.139 -7.565 -25.775 338 HA PRO 44 HA PRO 44 25.161 3.570 -23.819 339 1HB PRO 44 1HB PRO 44 25.624 1.943 -21.312 340 2HB PRO 44 2HB PRO 44 25.544 3.716 -21.482 341 1HG PRO 44 1HG PRO 44 23.295 2.498 -20.738 342 2HG PRO 44 2HG PRO 44 23.166 3.648 -22.082 343 1HD PRO 44 1HD PRO 44 23.328 0.617 -22.221 344 2HD PRO 44 2HD PRO 44 22.270 1.702 -23.132 345 H GLY 45 H GLY 45 27.229 4.361 -23.777 346 1HA GLY 45 1HA GLY 45 29.486 2.374 -23.979 347 2HA GLY 45 2HA GLY 45 29.333 3.721 -25.099 348 H MET 46 H MET 46 28.745 3.714 -21.600 349 HA MET 46 HA MET 46 30.811 5.874 -21.384 350 1HB MET 46 1HB MET 46 29.684 6.655 -19.414 351 2HB MET 46 2HB MET 46 28.426 6.261 -20.547 352 1HG MET 46 1HG MET 46 27.903 4.173 -19.279 353 2HG MET 46 2HG MET 46 29.224 4.522 -18.182 354 1HE MET 46 1HE MET 46 26.050 7.141 -19.134 355 2HE MET 46 2HE MET 46 25.057 6.104 -18.092 356 3HE MET 46 3HE MET 46 25.899 5.413 -19.470 357 H LEU 47 H LEU 47 29.892 3.165 -19.230 358 HA LEU 47 HA LEU 47 32.772 2.463 -18.852 359 1HB LEU 47 1HB LEU 47 31.634 4.323 -17.241 360 2HB LEU 47 2HB LEU 47 31.048 2.893 -16.426 361 HG LEU 47 HG LEU 47 33.955 3.608 -17.011 362 1HD1 LEU 47 1HD1 LEU 47 34.042 3.767 -14.521 363 2HD1 LEU 47 2HD1 LEU 47 32.337 3.366 -14.426 364 3HD1 LEU 47 3HD1 LEU 47 32.838 4.875 -15.170 365 1HD2 LEU 47 1HD2 LEU 47 34.452 1.580 -15.630 366 2HD2 LEU 47 2HD2 LEU 47 33.598 1.150 -17.103 367 3HD2 LEU 47 3HD2 LEU 47 32.705 1.264 -15.600 368 H ASP 48 H ASP 48 31.314 1.110 -20.447 369 HA ASP 48 HA ASP 48 29.697 -0.496 -20.698 370 1HB ASP 48 1HB ASP 48 32.550 -1.088 -20.171 371 2HB ASP 48 2HB ASP 48 31.546 -2.525 -20.301 372 H PHE 49 H PHE 49 31.284 -2.051 -17.880 373 HA PHE 49 HA PHE 49 28.839 -3.517 -17.507 374 1HB PHE 49 1HB PHE 49 29.847 -4.429 -15.515 375 2HB PHE 49 2HB PHE 49 31.198 -4.087 -16.568 376 HD1 PHE 49 HD1 PHE 49 32.167 -1.538 -16.237 377 HD2 PHE 49 HD2 PHE 49 30.047 -3.822 -13.327 378 HE1 PHE 49 HE1 PHE 49 33.164 -0.198 -14.478 379 HE2 PHE 49 HE2 PHE 49 31.049 -2.477 -11.538 380 HZ PHE 49 HZ PHE 49 32.587 -0.672 -12.080 381 H LYS 50 H LYS 50 29.828 -0.508 -16.237 382 HA LYS 50 HA LYS 50 27.507 -0.336 -14.415 383 1HB LYS 50 1HB LYS 50 29.678 0.671 -13.737 384 2HB LYS 50 2HB LYS 50 29.711 1.605 -15.223 385 1HG LYS 50 1HG LYS 50 27.936 3.035 -14.521 386 2HG LYS 50 2HG LYS 50 27.434 1.935 -13.258 387 1HD LYS 50 1HD LYS 50 29.202 2.604 -11.790 388 2HD LYS 50 2HD LYS 50 30.169 3.276 -13.091 389 1HE LYS 50 1HE LYS 50 28.631 5.148 -13.386 390 2HE LYS 50 2HE LYS 50 27.424 4.395 -12.367 391 1HZ LYS 50 1HZ LYS 50 29.762 4.588 -10.828 392 2HZ LYS 50 2HZ LYS 50 28.309 5.489 -10.651 393 3HZ LYS 50 3HZ LYS 50 29.576 6.079 -11.607 394 H GLY 51 H GLY 51 27.746 -0.133 -17.539 395 1HA GLY 51 1HA GLY 51 25.461 1.797 -17.932 396 2HA GLY 51 2HA GLY 51 26.730 1.538 -19.152 397 H LYS 52 H LYS 52 26.948 -0.809 -19.817 398 HA LYS 52 HA LYS 52 24.487 -1.718 -20.930 399 1HB LYS 52 1HB LYS 52 27.291 -2.825 -20.761 400 2HB LYS 52 2HB LYS 52 26.044 -4.028 -21.020 401 1HG LYS 52 1HG LYS 52 26.440 -3.487 -23.215 402 2HG LYS 52 2HG LYS 52 25.175 -2.347 -22.859 403 1HD LYS 52 1HD LYS 52 26.702 -0.923 -23.903 404 2HD LYS 52 2HD LYS 52 27.183 -0.711 -22.232 405 1HE LYS 52 1HE LYS 52 28.975 -2.320 -22.490 406 2HE LYS 52 2HE LYS 52 28.458 -2.766 -24.108 407 1HZ LYS 52 1HZ LYS 52 28.725 0.075 -23.894 408 2HZ LYS 52 2HZ LYS 52 29.582 -0.974 -24.948 409 3HZ LYS 52 3HZ LYS 52 30.182 -0.699 -23.439 410 H ALA 53 H ALA 53 26.180 -3.329 -18.396 411 HA ALA 53 HA ALA 53 24.352 -5.395 -17.900 412 1HB ALA 53 1HB ALA 53 26.524 -5.076 -16.560 413 2HB ALA 53 2HB ALA 53 25.185 -5.380 -15.469 414 3HB ALA 53 3HB ALA 53 25.777 -3.748 -15.694 415 H LYS 54 H LYS 54 24.058 -2.230 -16.127 416 HA LYS 54 HA LYS 54 21.403 -2.940 -15.197 417 1HB LYS 54 1HB LYS 54 21.589 -0.969 -13.956 418 2HB LYS 54 2HB LYS 54 23.272 -1.337 -14.212 419 1HG LYS 54 1HG LYS 54 23.053 0.237 -16.345 420 2HG LYS 54 2HG LYS 54 21.576 0.765 -15.574 421 1HD LYS 54 1HD LYS 54 22.949 1.075 -13.413 422 2HD LYS 54 2HD LYS 54 24.368 0.938 -14.455 423 1HE LYS 54 1HE LYS 54 23.601 2.972 -15.733 424 2HE LYS 54 2HE LYS 54 22.076 2.989 -14.886 425 1HZ LYS 54 1HZ LYS 54 22.898 4.201 -13.317 426 2HZ LYS 54 2HZ LYS 54 24.061 4.571 -14.193 427 3HZ LYS 54 3HZ LYS 54 24.323 3.263 -13.020 428 H TRP 55 H TRP 55 22.265 -1.928 -18.441 429 HA TRP 55 HA TRP 55 19.812 -0.442 -18.855 430 1HB TRP 55 1HB TRP 55 22.135 0.224 -19.569 431 2HB TRP 55 2HB TRP 55 22.195 -1.161 -20.580 432 HD1 TRP 55 HD1 TRP 55 20.493 2.302 -20.459 433 HE1 TRP 55 HE1 TRP 55 19.368 2.545 -22.750 434 HE3 TRP 55 HE3 TRP 55 21.175 -2.316 -22.310 435 HZ2 TRP 55 HZ2 TRP 55 18.784 0.984 -25.047 436 HZ3 TRP 55 HZ3 TRP 55 20.359 -2.959 -24.556 437 HH2 TRP 55 HH2 TRP 55 19.144 -1.305 -25.941 438 H ASP 56 H ASP 56 21.646 -3.201 -19.499 439 HA ASP 56 HA ASP 56 20.225 -4.561 -21.572 440 1HB ASP 56 1HB ASP 56 22.455 -4.980 -19.670 441 2HB ASP 56 2HB ASP 56 21.657 -6.460 -19.744 442 H ALA 57 H ALA 57 20.316 -4.983 -18.075 443 HA ALA 57 HA ALA 57 18.082 -6.566 -17.762 444 1HB ALA 57 1HB ALA 57 18.941 -4.207 -15.955 445 2HB ALA 57 2HB ALA 57 19.587 -5.835 -15.916 446 3HB ALA 57 3HB ALA 57 17.919 -5.540 -15.454 447 H TRP 58 H TRP 58 18.041 -2.956 -17.769 448 HA TRP 58 HA TRP 58 15.206 -2.724 -17.681 449 1HB TRP 58 1HB TRP 58 16.872 -0.893 -17.337 450 2HB TRP 58 2HB TRP 58 17.161 -0.807 -19.063 451 HD1 TRP 58 HD1 TRP 58 13.487 -1.531 -18.356 452 HE1 TRP 58 HE1 TRP 58 12.248 0.639 -18.526 453 HE3 TRP 58 HE3 TRP 58 17.295 1.596 -18.469 454 HZ2 TRP 58 HZ2 TRP 58 12.718 3.476 -18.727 455 HZ3 TRP 58 HZ3 TRP 58 16.934 4.134 -18.670 456 HH2 TRP 58 HH2 TRP 58 14.684 5.019 -18.800 457 H ASN 59 H ASN 59 17.193 -3.017 -20.479 458 HA ASN 59 HA ASN 59 15.193 -2.675 -22.549 459 1HB ASN 59 1HB ASN 59 17.805 -2.796 -22.808 460 2HB ASN 59 2HB ASN 59 17.642 -4.529 -22.701 461 1HD2 ASN 59 1HD2 ASN 59 17.995 -5.241 -24.900 462 2HD2 ASN 59 2HD2 ASN 59 17.123 -4.567 -26.212 463 H GLU 60 H GLU 60 16.508 -5.439 -20.843 464 HA GLU 60 HA GLU 60 14.873 -7.512 -21.849 465 1HB GLU 60 1HB GLU 60 17.101 -7.771 -20.628 466 2HB GLU 60 2HB GLU 60 16.311 -7.291 -19.149 467 1HG GLU 60 1HG GLU 60 14.929 -9.572 -20.530 468 2HG GLU 60 2HG GLU 60 16.553 -9.935 -20.017 469 H LEU 61 H LEU 61 14.231 -5.150 -19.484 470 HA LEU 61 HA LEU 61 11.732 -6.529 -18.636 471 1HB LEU 61 1HB LEU 61 13.026 -4.115 -17.367 472 2HB LEU 61 2HB LEU 61 11.705 -5.075 -16.718 473 HG LEU 61 HG LEU 61 14.579 -6.002 -17.044 474 1HD1 LEU 61 1HD1 LEU 61 12.884 -5.195 -14.674 475 2HD1 LEU 61 2HD1 LEU 61 14.126 -4.207 -15.429 476 3HD1 LEU 61 3HD1 LEU 61 14.557 -5.710 -14.606 477 1HD2 LEU 61 1HD2 LEU 61 12.175 -7.395 -15.857 478 2HD2 LEU 61 2HD2 LEU 61 13.849 -7.970 -15.850 479 3HD2 LEU 61 3HD2 LEU 61 13.024 -7.745 -17.380 480 H LYS 62 H LYS 62 12.680 -4.160 -20.767 481 HA LYS 62 HA LYS 62 11.045 -1.960 -20.431 482 1HB LYS 62 1HB LYS 62 12.712 -2.262 -22.260 483 2HB LYS 62 2HB LYS 62 11.746 -3.566 -22.931 484 1HG LYS 62 1HG LYS 62 9.850 -2.018 -23.142 485 2HG LYS 62 2HG LYS 62 10.778 -0.724 -22.506 486 1HD LYS 62 1HD LYS 62 10.677 -0.414 -24.911 487 2HD LYS 62 2HD LYS 62 12.316 -0.910 -24.556 488 1HE LYS 62 1HE LYS 62 11.419 -2.185 -26.430 489 2HE LYS 62 2HE LYS 62 11.719 -3.270 -25.080 490 1HZ LYS 62 1HZ LYS 62 9.142 -2.047 -24.808 491 2HZ LYS 62 2HZ LYS 62 9.512 -3.687 -24.897 492 3HZ LYS 62 3HZ LYS 62 9.259 -2.815 -26.339 493 H GLY 63 H GLY 63 8.695 -1.578 -20.608 494 1HA GLY 63 1HA GLY 63 6.488 -2.230 -21.348 495 2HA GLY 63 2HA GLY 63 7.077 -3.844 -21.674 496 H THR 64 H THR 64 8.327 -4.059 -18.979 497 HA THR 64 HA THR 64 6.399 -5.458 -17.618 498 HB THR 64 HB THR 64 8.810 -3.970 -16.501 499 HG1 THR 64 HG1 THR 64 9.438 -5.580 -17.811 500 1HG2 THR 64 1HG2 THR 64 7.294 -6.425 -15.456 501 2HG2 THR 64 2HG2 THR 64 7.122 -4.873 -14.640 502 3HG2 THR 64 3HG2 THR 64 8.691 -5.661 -14.725 503 H SER 65 H SER 65 4.889 -5.240 -16.119 504 HA SER 65 HA SER 65 3.551 -2.700 -15.796 505 1HB SER 65 1HB SER 65 3.138 -5.347 -14.257 506 2HB SER 65 2HB SER 65 2.124 -3.911 -14.099 507 HG SER 65 HG SER 65 2.370 -4.313 -16.697 508 H LYS 66 H LYS 66 4.220 -1.182 -14.588 509 HA LYS 66 HA LYS 66 6.341 -1.074 -12.896 510 1HB LYS 66 1HB LYS 66 3.693 0.483 -12.588 511 2HB LYS 66 2HB LYS 66 5.224 0.969 -11.871 512 1HG LYS 66 1HG LYS 66 6.177 0.781 -14.300 513 2HG LYS 66 2HG LYS 66 4.518 0.847 -14.834 514 1HD LYS 66 1HD LYS 66 4.192 2.979 -13.562 515 2HD LYS 66 2HD LYS 66 5.890 2.958 -13.115 516 1HE LYS 66 1HE LYS 66 4.750 3.150 -15.933 517 2HE LYS 66 2HE LYS 66 5.581 4.428 -15.070 518 1HZ LYS 66 1HZ LYS 66 6.728 2.351 -16.617 519 2HZ LYS 66 2HZ LYS 66 7.299 2.169 -15.060 520 3HZ LYS 66 3HZ LYS 66 7.514 3.640 -15.875 521 H GLU 67 H GLU 67 3.129 -1.498 -11.835 522 HA GLU 67 HA GLU 67 3.257 -1.937 -9.180 523 1HB GLU 67 1HB GLU 67 1.627 -3.431 -11.324 524 2HB GLU 67 2HB GLU 67 1.197 -3.296 -9.655 525 1HG GLU 67 1HG GLU 67 1.190 -0.693 -9.939 526 2HG GLU 67 2HG GLU 67 1.332 -0.952 -11.669 527 H ASP 68 H ASP 68 3.607 -4.746 -11.460 528 HA ASP 68 HA ASP 68 4.362 -6.485 -9.350 529 1HB ASP 68 1HB ASP 68 4.066 -6.665 -12.270 530 2HB ASP 68 2HB ASP 68 5.534 -7.425 -11.703 531 H ALA 69 H ALA 69 6.116 -4.353 -11.353 532 HA ALA 69 HA ALA 69 8.764 -5.300 -10.604 533 1HB ALA 69 1HB ALA 69 8.333 -3.869 -12.620 534 2HB ALA 69 2HB ALA 69 9.558 -3.133 -11.600 535 3HB ALA 69 3HB ALA 69 7.919 -2.510 -11.608 536 H MET 70 H MET 70 6.428 -3.063 -9.248 537 HA MET 70 HA MET 70 8.150 -1.995 -7.146 538 1HB MET 70 1HB MET 70 5.050 -2.327 -7.270 539 2HB MET 70 2HB MET 70 5.840 -1.486 -5.988 540 1HG MET 70 1HG MET 70 6.815 0.064 -7.790 541 2HG MET 70 2HG MET 70 5.794 -0.763 -8.919 542 1HE MET 70 1HE MET 70 5.940 1.573 -9.337 543 2HE MET 70 2HE MET 70 5.163 2.865 -8.487 544 3HE MET 70 3HE MET 70 4.244 1.878 -9.662 545 H LYS 71 H LYS 71 5.635 -4.404 -7.150 546 HA LYS 71 HA LYS 71 5.752 -5.668 -4.801 547 1HB LYS 71 1HB LYS 71 4.554 -5.878 -7.179 548 2HB LYS 71 2HB LYS 71 5.800 -7.072 -7.459 549 1HG LYS 71 1HG LYS 71 4.944 -8.359 -5.569 550 2HG LYS 71 2HG LYS 71 3.714 -7.083 -5.463 551 1HD LYS 71 1HD LYS 71 2.717 -7.596 -7.594 552 2HD LYS 71 2HD LYS 71 4.236 -8.134 -8.258 553 1HE LYS 71 1HE LYS 71 4.045 -10.297 -7.128 554 2HE LYS 71 2HE LYS 71 2.420 -9.837 -6.608 555 1HZ LYS 71 1HZ LYS 71 3.348 -10.572 -9.276 556 2HZ LYS 71 2HZ LYS 71 2.636 -9.150 -9.350 557 3HZ LYS 71 3HZ LYS 71 1.712 -10.436 -8.754 558 H ALA 72 H ALA 72 7.729 -6.644 -7.483 559 HA ALA 72 HA ALA 72 9.487 -8.387 -5.897 560 1HB ALA 72 1HB ALA 72 10.615 -8.700 -8.112 561 2HB ALA 72 2HB ALA 72 9.801 -7.280 -8.772 562 3HB ALA 72 3HB ALA 72 8.895 -8.723 -8.345 563 H TYR 73 H TYR 73 9.632 -4.997 -6.970 564 HA TYR 73 HA TYR 73 12.407 -4.596 -6.343 565 1HB TYR 73 1HB TYR 73 11.005 -2.956 -7.531 566 2HB TYR 73 2HB TYR 73 10.018 -2.689 -6.118 567 HD1 TYR 73 HD1 TYR 73 13.412 -2.394 -7.491 568 HD2 TYR 73 HD2 TYR 73 10.732 -1.108 -4.440 569 HE1 TYR 73 HE1 TYR 73 14.983 -0.676 -6.813 570 HE2 TYR 73 HE2 TYR 73 12.347 0.642 -3.797 571 HH TYR 73 HH TYR 73 15.246 1.176 -5.634 572 H ILE 74 H ILE 74 9.579 -3.956 -4.499 573 HA ILE 74 HA ILE 74 10.566 -3.332 -1.971 574 HB ILE 74 HB ILE 74 8.021 -4.742 -2.916 575 1HG1 ILE 74 1HG1 ILE 74 8.504 -1.860 -2.086 576 2HG1 ILE 74 2HG1 ILE 74 8.566 -2.384 -3.757 577 1HG2 ILE 74 1HG2 ILE 74 8.588 -3.331 -0.260 578 2HG2 ILE 74 2HG2 ILE 74 8.362 -5.073 -0.419 579 3HG2 ILE 74 3HG2 ILE 74 7.035 -3.977 -0.732 580 1HD1 ILE 74 1HD1 ILE 74 6.294 -1.525 -3.233 581 2HD1 ILE 74 2HD1 ILE 74 6.118 -2.687 -1.965 582 3HD1 ILE 74 3HD1 ILE 74 6.236 -3.237 -3.629 583 H ASP 75 H ASP 75 9.644 -6.568 -3.213 584 HA ASP 75 HA ASP 75 10.498 -8.012 -0.884 585 1HB ASP 75 1HB ASP 75 9.588 -8.448 -3.706 586 2HB ASP 75 2HB ASP 75 10.203 -9.828 -2.907 587 H LYS 76 H LYS 76 12.217 -6.706 -3.629 588 HA LYS 76 HA LYS 76 14.542 -8.462 -3.201 589 1HB LYS 76 1HB LYS 76 13.953 -7.382 -5.472 590 2HB LYS 76 2HB LYS 76 14.477 -5.843 -4.847 591 1HG LYS 76 1HG LYS 76 16.445 -6.760 -5.884 592 2HG LYS 76 2HG LYS 76 16.715 -7.064 -4.182 593 1HD LYS 76 1HD LYS 76 15.654 -9.427 -4.546 594 2HD LYS 76 2HD LYS 76 15.587 -9.042 -6.241 595 1HE LYS 76 1HE LYS 76 17.505 -10.403 -5.951 596 2HE LYS 76 2HE LYS 76 18.100 -8.767 -6.214 597 1HZ LYS 76 1HZ LYS 76 19.196 -9.010 -4.172 598 2HZ LYS 76 2HZ LYS 76 18.396 -10.450 -3.923 599 3HZ LYS 76 3HZ LYS 76 17.640 -9.024 -3.476 600 H VAL 77 H VAL 77 13.727 -5.063 -2.704 601 HA VAL 77 HA VAL 77 16.015 -4.213 -1.208 602 HB VAL 77 HB VAL 77 13.053 -3.449 -0.734 603 1HG1 VAL 77 1HG1 VAL 77 14.059 -1.319 0.177 604 2HG1 VAL 77 2HG1 VAL 77 15.674 -1.917 -0.145 605 3HG1 VAL 77 3HG1 VAL 77 14.693 -2.686 1.086 606 1HG2 VAL 77 1HG2 VAL 77 13.868 -3.034 -3.125 607 2HG2 VAL 77 2HG2 VAL 77 15.275 -2.198 -2.490 608 3HG2 VAL 77 3HG2 VAL 77 13.696 -1.502 -2.300 609 H GLU 78 H GLU 78 12.983 -6.012 -0.039 610 HA GLU 78 HA GLU 78 13.790 -6.460 2.559 611 1HB GLU 78 1HB GLU 78 12.069 -7.755 0.468 612 2HB GLU 78 2HB GLU 78 12.298 -8.714 1.859 613 1HG GLU 78 1HG GLU 78 11.229 -5.817 1.849 614 2HG GLU 78 2HG GLU 78 10.233 -7.236 2.013 615 H GLU 79 H GLU 79 14.356 -8.785 -0.265 616 HA GLU 79 HA GLU 79 16.081 -10.606 0.751 617 1HB GLU 79 1HB GLU 79 15.953 -9.132 -1.821 618 2HB GLU 79 2HB GLU 79 17.484 -9.872 -1.519 619 1HG GLU 79 1HG GLU 79 15.177 -11.614 -1.042 620 2HG GLU 79 2HG GLU 79 15.283 -11.054 -2.694 621 H LEU 80 H LEU 80 17.049 -7.450 -0.409 622 HA LEU 80 HA LEU 80 19.788 -7.551 0.187 623 1HB LEU 80 1HB LEU 80 17.816 -5.216 -0.019 624 2HB LEU 80 2HB LEU 80 19.526 -4.964 0.171 625 HG LEU 80 HG LEU 80 18.082 -6.324 -2.137 626 1HD1 LEU 80 1HD1 LEU 80 19.773 -3.803 -1.884 627 2HD1 LEU 80 2HD1 LEU 80 18.033 -3.837 -2.055 628 3HD1 LEU 80 3HD1 LEU 80 19.055 -4.392 -3.366 629 1HD2 LEU 80 1HD2 LEU 80 20.229 -7.505 -1.790 630 2HD2 LEU 80 2HD2 LEU 80 21.024 -5.978 -1.521 631 3HD2 LEU 80 3HD2 LEU 80 20.434 -6.381 -3.120 632 H LYS 81 H LYS 81 17.182 -6.012 2.053 633 HA LYS 81 HA LYS 81 18.695 -5.187 4.210 634 1HB LYS 81 1HB LYS 81 16.346 -4.671 4.148 635 2HB LYS 81 2HB LYS 81 15.883 -6.344 3.955 636 1HG LYS 81 1HG LYS 81 16.497 -6.793 6.369 637 2HG LYS 81 2HG LYS 81 17.153 -5.187 6.492 638 1HD LYS 81 1HD LYS 81 14.818 -5.434 7.506 639 2HD LYS 81 2HD LYS 81 15.023 -4.144 6.353 640 1HE LYS 81 1HE LYS 81 13.931 -5.340 4.608 641 2HE LYS 81 2HE LYS 81 14.058 -6.868 5.443 642 1HZ LYS 81 1HZ LYS 81 11.950 -5.035 5.469 643 2HZ LYS 81 2HZ LYS 81 12.490 -5.112 7.084 644 3HZ LYS 81 3HZ LYS 81 11.985 -6.499 6.123 645 H LYS 82 H LYS 82 17.127 -8.255 3.961 646 HA LYS 82 HA LYS 82 18.052 -9.571 6.186 647 1HB LYS 82 1HB LYS 82 17.723 -10.707 3.383 648 2HB LYS 82 2HB LYS 82 17.760 -11.688 4.828 649 1HG LYS 82 1HG LYS 82 15.803 -9.357 4.510 650 2HG LYS 82 2HG LYS 82 15.443 -10.916 3.845 651 1HD LYS 82 1HD LYS 82 16.212 -10.479 6.821 652 2HD LYS 82 2HD LYS 82 14.558 -10.304 6.286 653 1HE LYS 82 1HE LYS 82 16.264 -12.808 6.030 654 2HE LYS 82 2HE LYS 82 14.963 -12.572 7.185 655 1HZ LYS 82 1HZ LYS 82 14.049 -11.817 4.622 656 2HZ LYS 82 2HZ LYS 82 13.486 -13.145 5.569 657 3HZ LYS 82 3HZ LYS 82 14.760 -13.346 4.480 658 H LYS 83 H LYS 83 19.617 -9.198 3.227 659 HA LYS 83 HA LYS 83 22.087 -10.586 3.878 660 1HB LYS 83 1HB LYS 83 21.327 -8.796 1.548 661 2HB LYS 83 2HB LYS 83 22.795 -9.753 1.645 662 1HG LYS 83 1HG LYS 83 21.604 -11.777 1.622 663 2HG LYS 83 2HG LYS 83 20.072 -11.013 1.997 664 1HD LYS 83 1HD LYS 83 19.901 -9.976 -0.139 665 2HD LYS 83 2HD LYS 83 21.535 -10.333 -0.641 666 1HE LYS 83 1HE LYS 83 20.732 -12.899 -0.024 667 2HE LYS 83 2HE LYS 83 19.150 -12.202 -0.318 668 1HZ LYS 83 1HZ LYS 83 21.054 -13.014 -2.263 669 2HZ LYS 83 2HZ LYS 83 20.786 -11.327 -2.388 670 3HZ LYS 83 3HZ LYS 83 19.492 -12.380 -2.449 671 H TYR 84 H TYR 84 21.424 -7.139 3.558 672 HA TYR 84 HA TYR 84 24.200 -6.579 4.437 673 1HB TYR 84 1HB TYR 84 22.111 -4.837 3.063 674 2HB TYR 84 2HB TYR 84 23.766 -4.309 3.427 675 HD1 TYR 84 HD1 TYR 84 21.692 -6.497 1.293 676 HD2 TYR 84 HD2 TYR 84 25.689 -5.562 2.410 677 HE1 TYR 84 HE1 TYR 84 22.489 -7.838 -0.538 678 HE2 TYR 84 HE2 TYR 84 26.489 -6.949 0.510 679 HH TYR 84 HH TYR 84 24.170 -8.550 -1.665 680 H GLY 85 H GLY 85 21.148 -6.323 6.089 681 1HA GLY 85 1HA GLY 85 21.103 -5.772 8.402 682 2HA GLY 85 2HA GLY 85 22.656 -5.019 8.251 683 H ILE 86 H ILE 86 19.605 -4.057 6.503 684 HA ILE 86 HA ILE 86 19.943 -1.490 7.952 685 HB ILE 86 HB ILE 86 20.330 -1.382 5.536 686 1HG1 ILE 86 1HG1 ILE 86 17.542 -0.291 6.015 687 2HG1 ILE 86 2HG1 ILE 86 18.852 0.358 6.944 688 1HG2 ILE 86 1HG2 ILE 86 18.456 -1.897 3.917 689 2HG2 ILE 86 2HG2 ILE 86 17.518 -2.503 5.270 690 3HG2 ILE 86 3HG2 ILE 86 19.005 -3.306 4.803 691 1HD1 ILE 86 1HD1 ILE 86 18.696 0.326 3.875 692 2HD1 ILE 86 2HD1 ILE 86 20.035 1.003 4.793 693 3HD1 ILE 86 3HD1 ILE 86 18.432 1.735 4.875 694 AH2 COA 1 AH2 COA 1 17.239 0.500 -8.229 695 AH61 COA 1 AH61 COA 1 15.703 2.420 -4.620 696 AH62 COA 1 AH62 COA 1 16.351 4.028 -4.488 697 AH8 COA 1 AH8 COA 1 18.804 6.699 -7.998 698 AH1* COA 1 AH1* COA 1 18.817 4.113 -10.750 699 AH2* COA 1 AH2* COA 1 19.599 6.868 -9.910 700 AHO2 COA 1 AHO2 COA 1 19.468 6.437 -12.530 701 AH3* COA 1 AH3* COA 1 21.781 6.795 -10.809 702 AH4* COA 1 AH4* COA 1 22.257 4.051 -10.647 703 AH51 COA 1 AH51 COA 1 22.718 4.533 -8.235 704 AH52 COA 1 AH52 COA 1 23.219 5.903 -9.195 705 1H12 COA 1 1H12 COA 1 25.646 8.751 -5.593 706 2H12 COA 1 2H12 COA 1 24.986 7.884 -4.254 707 1H13 COA 1 1H13 COA 1 26.207 7.479 -7.791 708 2H13 COA 1 2H13 COA 1 25.639 5.836 -7.997 709 3H13 COA 1 3H13 COA 1 24.543 7.163 -8.160 710 1H14 COA 1 1H14 COA 1 23.805 5.597 -4.728 711 2H14 COA 1 2H14 COA 1 24.293 4.657 -6.126 712 3H14 COA 1 3H14 COA 1 23.105 5.884 -6.308 713 H10 COA 1 H10 COA 1 26.243 6.072 -4.328 714 HO1 COA 1 HO1 COA 1 27.104 7.852 -6.076 715 HN8 COA 1 HN8 COA 1 26.214 4.143 -4.177 716 1H7 COA 1 1H7 COA 1 25.942 1.803 -5.012 717 2H7 COA 1 2H7 COA 1 26.974 2.249 -6.382 718 1H6 COA 1 1H6 COA 1 28.896 2.652 -4.922 719 2H6 COA 1 2H6 COA 1 28.274 1.054 -4.537 720 HN4 COA 1 HN4 COA 1 26.037 2.673 -3.363 721 1H3 COA 1 1H3 COA 1 25.696 2.423 -0.834 722 2H3 COA 1 2H3 COA 1 27.194 3.327 -0.673 723 1H2 COA 1 1H2 COA 1 26.229 5.266 -1.767 724 2H2 COA 1 2H2 COA 1 25.147 4.801 -0.491 725 1H2 PLY 2 1H2 PLY 2 24.012 2.213 -4.082 726 2H2 PLY 2 2H2 PLY 2 24.688 1.433 -2.666 727 1H3 PLY 2 1H3 PLY 2 23.346 -0.191 -3.635 728 2H3 PLY 2 2H3 PLY 2 22.414 0.376 -2.267 729 1H4 PLY 2 1H4 PLY 2 21.240 2.041 -4.003 730 2H4 PLY 2 2H4 PLY 2 20.755 0.362 -4.055 731 1H5 PLY 2 1H5 PLY 2 22.790 1.517 -5.895 732 2H5 PLY 2 2H5 PLY 2 22.136 -0.128 -5.887 733 1H6 PLY 2 1H6 PLY 2 20.614 2.396 -6.470 734 2H6 PLY 2 2H6 PLY 2 19.812 0.895 -6.055 735 1H7 PLY 2 1H7 PLY 2 19.932 0.822 -8.388 736 2H7 PLY 2 2H7 PLY 2 21.249 -0.192 -7.868 737 1H8 PLY 2 1H8 PLY 2 21.745 2.732 -8.314 738 2H8 PLY 2 2H8 PLY 2 21.589 1.762 -9.738 739 1H9 PLY 2 1H9 PLY 2 23.720 1.801 -7.612 740 2H9 PLY 2 2H9 PLY 2 23.496 0.326 -8.562 741 1HA PLY 2 1HA PLY 2 23.622 1.940 -10.645 742 2HA PLY 2 2HA PLY 2 24.125 3.169 -9.520 743 1HB PLY 2 1HB PLY 2 26.102 1.897 -8.890 744 2HB PLY 2 2HB PLY 2 26.071 2.099 -10.625 745 1HC PLY 2 1HC PLY 2 25.349 -0.451 -9.104 746 2HC PLY 2 2HC PLY 2 26.685 -0.208 -10.178 747 1HD PLY 2 1HD PLY 2 25.098 0.075 -12.114 748 2HD PLY 2 2HD PLY 2 23.728 -0.157 -11.031 749 1HE PLY 2 1HE PLY 2 24.723 -2.369 -10.431 750 2HE PLY 2 2HE PLY 2 24.143 -2.229 -12.076 751 1HF PLY 2 1HF PLY 2 26.995 -2.146 -11.004 752 2HF PLY 2 2HF PLY 2 26.669 -1.414 -12.587 753 1HG PLY 2 1HG PLY 2 26.159 -4.265 -11.780 754 2HG PLY 2 2HG PLY 2 25.786 -3.543 -13.344 755 3HG PLY 2 3HG PLY 2 27.461 -3.660 -12.811 Start of MODEL 16 1 1H SER 1 1H SER 1 0.076 4.819 -9.062 2 2H SER 1 2H SER 1 -0.701 4.714 -7.546 3 H SER 1 H SER 1 -0.672 6.195 -8.384 4 HA SER 1 HA SER 1 1.988 5.433 -8.073 5 1HB SER 1 1HB SER 1 0.951 7.490 -6.152 6 2HB SER 1 2HB SER 1 2.071 7.714 -7.506 7 HG SER 1 HG SER 1 -0.261 8.595 -7.672 8 H GLN 2 H GLN 2 3.092 4.678 -6.255 9 HA GLN 2 HA GLN 2 1.498 3.762 -3.908 10 1HB GLN 2 1HB GLN 2 1.824 1.881 -5.431 11 2HB GLN 2 2HB GLN 2 3.493 2.335 -5.661 12 1HG GLN 2 1HG GLN 2 4.021 1.726 -3.299 13 2HG GLN 2 2HG GLN 2 2.383 1.167 -3.070 14 1HE2 GLN 2 1HE2 GLN 2 5.184 -0.312 -3.349 15 2HE2 GLN 2 2HE2 GLN 2 4.791 -1.440 -4.560 16 H ALA 3 H ALA 3 2.588 3.958 -1.851 17 HA ALA 3 HA ALA 3 5.143 5.446 -1.947 18 1HB ALA 3 1HB ALA 3 4.478 6.021 0.405 19 2HB ALA 3 2HB ALA 3 3.095 4.950 0.291 20 3HB ALA 3 3HB ALA 3 3.186 6.387 -0.715 21 H GLU 4 H GLU 4 3.908 2.368 -1.206 22 HA GLU 4 HA GLU 4 5.809 1.471 0.700 23 1HB GLU 4 1HB GLU 4 3.915 0.230 -1.294 24 2HB GLU 4 2HB GLU 4 5.131 -0.800 -0.625 25 1HG GLU 4 1HG GLU 4 3.207 0.860 1.109 26 2HG GLU 4 2HG GLU 4 2.930 -0.825 0.746 27 H PHE 5 H PHE 5 5.835 1.602 -2.613 28 HA PHE 5 HA PHE 5 8.326 0.302 -3.179 29 1HB PHE 5 1HB PHE 5 6.540 0.579 -4.796 30 2HB PHE 5 2HB PHE 5 6.545 2.291 -4.401 31 HD1 PHE 5 HD1 PHE 5 8.217 3.710 -5.535 32 HD2 PHE 5 HD2 PHE 5 8.478 -0.509 -5.928 33 HE1 PHE 5 HE1 PHE 5 9.940 4.002 -7.198 34 HE2 PHE 5 HE2 PHE 5 10.229 -0.221 -7.644 35 HZ PHE 5 HZ PHE 5 10.954 2.044 -8.288 36 H ASP 6 H ASP 6 7.473 3.750 -2.696 37 HA ASP 6 HA ASP 6 9.969 4.909 -3.174 38 1HB ASP 6 1HB ASP 6 7.558 5.681 -1.478 39 2HB ASP 6 2HB ASP 6 8.830 6.760 -1.951 40 H LYS 7 H LYS 7 8.308 3.847 -0.393 41 HA LYS 7 HA LYS 7 10.053 4.493 1.705 42 1HB LYS 7 1HB LYS 7 7.809 3.741 2.119 43 2HB LYS 7 2HB LYS 7 7.988 2.363 1.081 44 1HG LYS 7 1HG LYS 7 9.636 1.362 2.835 45 2HG LYS 7 2HG LYS 7 9.111 2.655 3.897 46 1HD LYS 7 1HD LYS 7 6.736 1.955 3.620 47 2HD LYS 7 2HD LYS 7 7.205 0.803 2.397 48 1HE LYS 7 1HE LYS 7 8.334 -0.620 4.047 49 2HE LYS 7 2HE LYS 7 7.972 0.538 5.326 50 1HZ LYS 7 1HZ LYS 7 5.804 -0.374 5.416 51 2HZ LYS 7 2HZ LYS 7 6.155 -1.374 4.066 52 3HZ LYS 7 3HZ LYS 7 5.657 0.112 3.819 53 H ALA 8 H ALA 8 9.755 1.692 -0.378 54 HA ALA 8 HA ALA 8 12.044 0.287 0.666 55 1HB ALA 8 1HB ALA 8 10.134 -0.712 -0.612 56 2HB ALA 8 2HB ALA 8 11.644 -1.144 -1.371 57 3HB ALA 8 3HB ALA 8 10.641 0.113 -2.076 58 H ALA 9 H ALA 9 11.696 2.324 -2.401 59 HA ALA 9 HA ALA 9 14.275 2.324 -3.150 60 1HB ALA 9 1HB ALA 9 12.366 4.719 -3.053 61 2HB ALA 9 2HB ALA 9 12.407 3.498 -4.307 62 3HB ALA 9 3HB ALA 9 13.745 4.618 -4.117 63 H GLU 10 H GLU 10 12.985 4.552 -0.720 64 HA GLU 10 HA GLU 10 15.533 5.746 -0.131 65 1HB GLU 10 1HB GLU 10 12.876 5.472 1.391 66 2HB GLU 10 2HB GLU 10 14.165 6.450 2.036 67 1HG GLU 10 1HG GLU 10 12.846 6.916 -0.722 68 2HG GLU 10 2HG GLU 10 12.504 7.858 0.708 69 H GLU 11 H GLU 11 13.726 3.107 1.554 70 HA GLU 11 HA GLU 11 15.533 2.439 3.499 71 1HB GLU 11 1HB GLU 11 14.040 0.617 1.624 72 2HB GLU 11 2HB GLU 11 14.958 0.038 2.976 73 1HG GLU 11 1HG GLU 11 13.373 2.183 4.004 74 2HG GLU 11 2HG GLU 11 12.334 1.269 2.997 75 H VAL 12 H VAL 12 15.717 1.423 0.060 76 HA VAL 12 HA VAL 12 18.164 0.031 0.203 77 HB VAL 12 HB VAL 12 16.043 0.460 -1.566 78 1HG1 VAL 12 1HG1 VAL 12 17.353 2.148 -2.802 79 2HG1 VAL 12 2HG1 VAL 12 17.183 0.697 -3.748 80 3HG1 VAL 12 3HG1 VAL 12 18.710 1.024 -2.952 81 1HG2 VAL 12 1HG2 VAL 12 17.004 -1.486 -2.765 82 2HG2 VAL 12 2HG2 VAL 12 17.071 -1.746 -1.032 83 3HG2 VAL 12 3HG2 VAL 12 18.511 -1.281 -1.926 84 H LYS 13 H LYS 13 17.440 3.322 -1.126 85 HA LYS 13 HA LYS 13 20.057 3.993 -1.832 86 1HB LYS 13 1HB LYS 13 17.578 5.427 -1.227 87 2HB LYS 13 2HB LYS 13 18.956 6.258 -0.605 88 1HG LYS 13 1HG LYS 13 19.950 5.981 -3.043 89 2HG LYS 13 2HG LYS 13 18.312 5.519 -3.497 90 1HD LYS 13 1HD LYS 13 18.269 7.858 -3.850 91 2HD LYS 13 2HD LYS 13 17.558 7.717 -2.259 92 1HE LYS 13 1HE LYS 13 19.176 9.447 -2.054 93 2HE LYS 13 2HE LYS 13 20.037 8.068 -1.387 94 1HZ LYS 13 1HZ LYS 13 21.612 8.303 -3.263 95 2HZ LYS 13 2HZ LYS 13 20.658 9.573 -3.703 96 3HZ LYS 13 3HZ LYS 13 20.290 8.143 -4.260 97 H HIS 14 H HIS 14 18.529 3.845 1.188 98 HA HIS 14 HA HIS 14 20.605 5.040 2.860 99 1HB HIS 14 1HB HIS 14 18.020 3.571 3.516 100 2HB HIS 14 2HB HIS 14 19.060 4.263 4.743 101 HD1 HIS 14 HD1 HIS 14 16.253 5.055 3.018 102 HD2 HIS 14 HD2 HIS 14 19.561 7.237 3.947 103 HE1 HIS 14 HE1 HIS 14 15.605 7.514 2.864 104 H LEU 15 H LEU 15 20.384 2.193 1.486 105 HA LEU 15 HA LEU 15 21.248 0.251 3.466 106 1HB LEU 15 1HB LEU 15 21.969 0.438 0.524 107 2HB LEU 15 2HB LEU 15 22.572 -0.880 1.486 108 HG LEU 15 HG LEU 15 19.641 -0.303 1.312 109 1HD1 LEU 15 1HD1 LEU 15 19.693 -2.055 -0.492 110 2HD1 LEU 15 2HD1 LEU 15 21.444 -2.093 -0.434 111 3HD1 LEU 15 3HD1 LEU 15 20.608 -0.646 -0.996 112 1HD2 LEU 15 1HD2 LEU 15 20.398 -1.867 3.061 113 2HD2 LEU 15 2HD2 LEU 15 21.226 -2.836 1.845 114 3HD2 LEU 15 3HD2 LEU 15 19.470 -2.720 1.849 115 H LYS 16 H LYS 16 23.033 0.375 4.673 116 HA LYS 16 HA LYS 16 24.969 2.396 4.588 117 1HB LYS 16 1HB LYS 16 25.061 -0.433 5.788 118 2HB LYS 16 2HB LYS 16 26.208 0.823 6.176 119 1HG LYS 16 1HG LYS 16 24.342 0.501 7.911 120 2HG LYS 16 2HG LYS 16 24.580 2.147 7.371 121 1HD LYS 16 1HD LYS 16 22.676 1.989 5.853 122 2HD LYS 16 2HD LYS 16 22.422 0.284 6.252 123 1HE LYS 16 1HE LYS 16 21.316 0.681 8.126 124 2HE LYS 16 2HE LYS 16 22.276 2.091 8.550 125 1HZ LYS 16 1HZ LYS 16 19.753 2.034 7.176 126 2HZ LYS 16 2HZ LYS 16 20.933 2.700 6.142 127 3HZ LYS 16 3HZ LYS 16 20.659 3.378 7.681 128 H THR 17 H THR 17 24.581 -0.190 2.748 129 HA THR 17 HA THR 17 27.222 0.127 1.366 130 HB THR 17 HB THR 17 26.024 -2.478 2.362 131 HG1 THR 17 HG1 THR 17 27.667 -0.570 3.279 132 1HG2 THR 17 1HG2 THR 17 28.089 -3.513 1.522 133 2HG2 THR 17 2HG2 THR 17 28.667 -1.997 0.868 134 3HG2 THR 17 3HG2 THR 17 27.282 -2.815 0.129 135 H LYS 18 H LYS 18 27.419 -0.454 -0.661 136 HA LYS 18 HA LYS 18 25.098 -0.342 -2.475 137 1HB LYS 18 1HB LYS 18 26.828 0.382 -4.120 138 2HB LYS 18 2HB LYS 18 26.991 1.311 -2.656 139 1HG LYS 18 1HG LYS 18 29.192 0.787 -2.677 140 2HG LYS 18 2HG LYS 18 28.737 -0.806 -2.126 141 1HD LYS 18 1HD LYS 18 28.371 -1.332 -4.709 142 2HD LYS 18 2HD LYS 18 29.229 0.168 -4.973 143 1HE LYS 18 1HE LYS 18 30.915 -1.503 -5.123 144 2HE LYS 18 2HE LYS 18 31.121 -0.816 -3.514 145 1HZ LYS 18 1HZ LYS 18 30.403 -3.507 -4.196 146 2HZ LYS 18 2HZ LYS 18 29.144 -2.767 -3.335 147 3HZ LYS 18 3HZ LYS 18 30.667 -2.865 -2.636 148 HA PRO 19 HA PRO 19 25.714 -4.856 -2.044 149 1HB PRO 19 1HB PRO 19 23.274 -4.659 -3.870 150 2HB PRO 19 2HB PRO 19 23.585 -5.730 -2.531 151 1HG PRO 19 1HG PRO 19 22.089 -3.597 -2.027 152 2HG PRO 19 2HG PRO 19 23.469 -3.799 -0.936 153 1HD PRO 19 1HD PRO 19 23.437 -2.157 -3.484 154 2HD PRO 19 2HD PRO 19 23.743 -1.613 -1.822 155 H ALA 20 H ALA 20 25.254 -6.722 -3.900 156 HA ALA 20 HA ALA 20 27.593 -6.390 -5.675 157 1HB ALA 20 1HB ALA 20 27.121 -8.553 -4.464 158 2HB ALA 20 2HB ALA 20 27.195 -8.780 -6.202 159 3HB ALA 20 3HB ALA 20 25.638 -8.727 -5.387 160 H ASP 21 H ASP 21 27.467 -6.791 -8.034 161 HA ASP 21 HA ASP 21 25.654 -5.121 -9.333 162 1HB ASP 21 1HB ASP 21 26.660 -7.728 -10.678 163 2HB ASP 21 2HB ASP 21 26.240 -6.194 -11.443 164 H GLU 22 H GLU 22 25.197 -8.687 -9.461 165 HA GLU 22 HA GLU 22 22.743 -8.783 -10.640 166 1HB GLU 22 1HB GLU 22 23.463 -10.273 -8.028 167 2HB GLU 22 2HB GLU 22 22.027 -10.659 -8.942 168 1HG GLU 22 1HG GLU 22 23.650 -11.097 -10.937 169 2HG GLU 22 2HG GLU 22 24.931 -11.065 -9.738 170 H GLU 23 H GLU 23 23.141 -8.004 -7.297 171 HA GLU 23 HA GLU 23 20.359 -7.498 -6.776 172 1HB GLU 23 1HB GLU 23 23.009 -6.734 -5.277 173 2HB GLU 23 2HB GLU 23 21.427 -6.605 -4.574 174 1HG GLU 23 1HG GLU 23 21.154 -9.156 -4.801 175 2HG GLU 23 2HG GLU 23 22.732 -9.231 -5.534 176 H MET 24 H MET 24 23.112 -5.260 -7.160 177 HA MET 24 HA MET 24 21.722 -2.816 -7.310 178 1HB MET 24 1HB MET 24 24.215 -3.934 -8.626 179 2HB MET 24 2HB MET 24 23.832 -2.286 -8.933 180 1HG MET 24 1HG MET 24 23.605 -2.267 -6.227 181 2HG MET 24 2HG MET 24 24.631 -3.649 -6.393 182 1HE MET 24 1HE MET 24 25.661 0.680 -7.336 183 2HE MET 24 2HE MET 24 24.647 0.255 -5.963 184 3HE MET 24 3HE MET 24 24.143 -0.118 -7.628 185 H LEU 25 H LEU 25 22.486 -4.905 -9.902 186 HA LEU 25 HA LEU 25 21.297 -3.919 -12.171 187 1HB LEU 25 1HB LEU 25 21.852 -6.670 -11.051 188 2HB LEU 25 2HB LEU 25 21.100 -6.599 -12.571 189 HG LEU 25 HG LEU 25 23.884 -5.797 -11.698 190 1HD1 LEU 25 1HD1 LEU 25 23.510 -8.117 -12.367 191 2HD1 LEU 25 2HD1 LEU 25 24.549 -7.304 -13.511 192 3HD1 LEU 25 3HD1 LEU 25 22.865 -7.590 -13.906 193 1HD2 LEU 25 1HD2 LEU 25 23.063 -3.972 -13.236 194 2HD2 LEU 25 2HD2 LEU 25 22.591 -5.190 -14.415 195 3HD2 LEU 25 3HD2 LEU 25 24.282 -4.965 -14.005 196 H PHE 26 H PHE 26 19.894 -6.235 -9.892 197 HA PHE 26 HA PHE 26 17.239 -6.230 -11.007 198 1HB PHE 26 1HB PHE 26 18.222 -7.935 -9.464 199 2HB PHE 26 2HB PHE 26 18.157 -6.792 -8.141 200 HD1 PHE 26 HD1 PHE 26 16.601 -9.572 -9.203 201 HD2 PHE 26 HD2 PHE 26 15.527 -5.554 -8.247 202 HE1 PHE 26 HE1 PHE 26 14.298 -10.281 -8.712 203 HE2 PHE 26 HE2 PHE 26 13.264 -6.263 -7.811 204 HZ PHE 26 HZ PHE 26 12.619 -8.614 -7.989 205 H ILE 27 H ILE 27 18.518 -4.563 -8.144 206 HA ILE 27 HA ILE 27 16.242 -3.025 -7.568 207 HB ILE 27 HB ILE 27 19.217 -2.744 -7.202 208 1HG1 ILE 27 1HG1 ILE 27 17.858 -4.447 -5.991 209 2HG1 ILE 27 2HG1 ILE 27 18.676 -3.306 -4.913 210 1HG2 ILE 27 1HG2 ILE 27 17.262 -0.727 -6.051 211 2HG2 ILE 27 2HG2 ILE 27 18.483 -0.391 -7.274 212 3HG2 ILE 27 3HG2 ILE 27 18.945 -0.865 -5.652 213 1HD1 ILE 27 1HD1 ILE 27 16.327 -3.750 -4.190 214 2HD1 ILE 27 2HD1 ILE 27 15.675 -3.233 -5.709 215 3HD1 ILE 27 3HD1 ILE 27 16.469 -2.079 -4.659 216 H TYR 28 H TYR 28 18.901 -1.966 -9.659 217 HA TYR 28 HA TYR 28 17.756 0.503 -10.398 218 1HB TYR 28 1HB TYR 28 20.142 -0.433 -10.594 219 2HB TYR 28 2HB TYR 28 19.629 -1.330 -11.993 220 HD1 TYR 28 HD1 TYR 28 19.920 -0.322 -14.099 221 HD2 TYR 28 HD2 TYR 28 19.762 2.195 -10.666 222 HE1 TYR 28 HE1 TYR 28 20.523 1.616 -15.461 223 HE2 TYR 28 HE2 TYR 28 20.367 4.108 -12.071 224 HH TYR 28 HH TYR 28 20.419 4.870 -14.358 225 H SER 29 H SER 29 17.751 -2.628 -12.242 226 HA SER 29 HA SER 29 16.053 -1.898 -14.343 227 1HB SER 29 1HB SER 29 15.461 -4.422 -14.389 228 2HB SER 29 2HB SER 29 17.174 -4.115 -14.281 229 HG SER 29 HG SER 29 17.041 -4.386 -12.032 230 H HIS 30 H HIS 30 15.072 -3.470 -11.386 231 HA HIS 30 HA HIS 30 12.249 -3.178 -11.776 232 1HB HIS 30 1HB HIS 30 14.072 -3.803 -9.407 233 2HB HIS 30 2HB HIS 30 12.332 -3.680 -9.174 234 HD1 HIS 30 HD1 HIS 30 10.907 -5.244 -10.438 235 HD2 HIS 30 HD2 HIS 30 14.850 -5.996 -11.087 236 HE1 HIS 30 HE1 HIS 30 11.030 -7.490 -11.578 237 H TYR 31 H TYR 31 14.317 -1.119 -9.522 238 HA TYR 31 HA TYR 31 12.332 0.656 -8.872 239 1HB TYR 31 1HB TYR 31 14.613 0.692 -7.919 240 2HB TYR 31 2HB TYR 31 15.281 1.158 -9.452 241 HD1 TYR 31 HD1 TYR 31 15.350 3.335 -10.037 242 HD2 TYR 31 HD2 TYR 31 12.850 2.277 -6.816 243 HE1 TYR 31 HE1 TYR 31 14.917 5.721 -9.663 244 HE2 TYR 31 HE2 TYR 31 12.396 4.667 -6.392 245 HH TYR 31 HH TYR 31 13.117 6.763 -6.788 246 H LYS 32 H LYS 32 14.264 0.585 -11.882 247 HA LYS 32 HA LYS 32 13.055 3.002 -12.937 248 1HB LYS 32 1HB LYS 32 14.907 0.830 -13.851 249 2HB LYS 32 2HB LYS 32 14.024 1.624 -15.092 250 1HG LYS 32 1HG LYS 32 15.416 3.439 -14.975 251 2HG LYS 32 2HG LYS 32 14.885 3.711 -13.346 252 1HD LYS 32 1HD LYS 32 16.981 1.570 -13.797 253 2HD LYS 32 2HD LYS 32 17.427 3.258 -13.914 254 1HE LYS 32 1HE LYS 32 15.890 2.200 -11.604 255 2HE LYS 32 2HE LYS 32 17.637 2.259 -11.614 256 1HZ LYS 32 1HZ LYS 32 16.641 4.589 -12.730 257 2HZ LYS 32 2HZ LYS 32 17.662 4.637 -11.644 258 3HZ LYS 32 3HZ LYS 32 15.989 4.618 -11.204 259 H GLN 33 H GLN 33 12.511 -0.431 -13.632 260 HA GLN 33 HA GLN 33 10.355 -0.013 -15.485 261 1HB GLN 33 1HB GLN 33 11.726 -2.263 -14.222 262 2HB GLN 33 2HB GLN 33 10.022 -2.542 -14.060 263 1HG GLN 33 1HG GLN 33 11.378 -1.792 -16.649 264 2HG GLN 33 2HG GLN 33 11.017 -3.440 -16.207 265 1HE2 GLN 33 1HE2 GLN 33 8.358 -1.776 -15.099 266 2HE2 GLN 33 2HE2 GLN 33 7.464 -1.858 -16.556 267 H ALA 34 H ALA 34 10.544 0.156 -12.089 268 HA ALA 34 HA ALA 34 7.638 -0.020 -11.617 269 1HB ALA 34 1HB ALA 34 8.343 0.297 -9.294 270 2HB ALA 34 2HB ALA 34 9.977 0.615 -9.843 271 3HB ALA 34 3HB ALA 34 9.293 -0.986 -10.040 272 H THR 35 H THR 35 10.015 2.573 -11.984 273 HA THR 35 HA THR 35 7.844 4.555 -11.304 274 HB THR 35 HB THR 35 9.720 6.212 -10.945 275 HG1 THR 35 HG1 THR 35 11.448 4.015 -11.114 276 1HG2 THR 35 1HG2 THR 35 10.749 5.136 -9.011 277 2HG2 THR 35 2HG2 THR 35 10.287 3.537 -9.603 278 3HG2 THR 35 3HG2 THR 35 9.054 4.649 -9.034 279 H VAL 36 H VAL 36 10.407 3.829 -13.571 280 HA VAL 36 HA VAL 36 9.533 5.939 -15.462 281 HB VAL 36 HB VAL 36 11.767 3.824 -15.751 282 1HG1 VAL 36 1HG1 VAL 36 11.044 4.845 -17.920 283 2HG1 VAL 36 2HG1 VAL 36 12.637 5.437 -17.469 284 3HG1 VAL 36 3HG1 VAL 36 11.227 6.440 -17.220 285 1HG2 VAL 36 1HG2 VAL 36 13.355 5.597 -15.070 286 2HG2 VAL 36 2HG2 VAL 36 12.192 5.259 -13.800 287 3HG2 VAL 36 3HG2 VAL 36 12.015 6.700 -14.791 288 H GLY 37 H GLY 37 10.059 2.461 -15.655 289 1HA GLY 37 1HA GLY 37 8.166 0.959 -16.394 290 2HA GLY 37 2HA GLY 37 7.719 2.178 -17.561 291 H ASP 38 H ASP 38 7.934 1.129 -19.449 292 HA ASP 38 HA ASP 38 9.863 -0.895 -20.025 293 1HB ASP 38 1HB ASP 38 8.325 0.826 -22.042 294 2HB ASP 38 2HB ASP 38 8.747 -0.851 -22.224 295 H ILE 39 H ILE 39 11.993 -0.220 -19.790 296 HA ILE 39 HA ILE 39 13.200 2.229 -20.154 297 HB ILE 39 HB ILE 39 14.332 -0.036 -19.588 298 1HG1 ILE 39 1HG1 ILE 39 15.729 2.015 -21.366 299 2HG1 ILE 39 2HG1 ILE 39 15.295 2.324 -19.711 300 1HG2 ILE 39 1HG2 ILE 39 15.122 0.008 -22.525 301 2HG2 ILE 39 2HG2 ILE 39 14.037 -1.196 -21.824 302 3HG2 ILE 39 3HG2 ILE 39 15.709 -1.060 -21.282 303 1HD1 ILE 39 1HD1 ILE 39 16.716 0.205 -19.138 304 2HD1 ILE 39 2HD1 ILE 39 17.566 1.615 -19.717 305 3HD1 ILE 39 3HD1 ILE 39 17.250 0.259 -20.789 306 H ASN 40 H ASN 40 12.795 3.710 -21.729 307 HA ASN 40 HA ASN 40 13.109 2.865 -24.593 308 1HB ASN 40 1HB ASN 40 11.283 4.556 -25.068 309 2HB ASN 40 2HB ASN 40 10.723 3.271 -23.991 310 1HD2 ASN 40 1HD2 ASN 40 10.486 3.820 -21.713 311 2HD2 ASN 40 2HD2 ASN 40 10.319 5.482 -21.277 312 H THR 41 H THR 41 15.039 3.765 -22.719 313 HA THR 41 HA THR 41 15.863 6.458 -23.633 314 HB THR 41 HB THR 41 17.251 6.532 -21.601 315 HG1 THR 41 HG1 THR 41 18.432 4.714 -21.908 316 1HG2 THR 41 1HG2 THR 41 15.266 4.334 -20.806 317 2HG2 THR 41 2HG2 THR 41 14.823 6.037 -20.825 318 3HG2 THR 41 3HG2 THR 41 16.093 5.454 -19.751 319 H GLU 42 H GLU 42 18.492 6.398 -23.338 320 HA GLU 42 HA GLU 42 19.376 4.851 -25.675 321 1HB GLU 42 1HB GLU 42 20.621 7.058 -23.925 322 2HB GLU 42 2HB GLU 42 21.531 6.325 -25.213 323 1HG GLU 42 1HG GLU 42 19.964 7.006 -26.859 324 2HG GLU 42 2HG GLU 42 18.761 7.550 -25.703 325 H ARG 43 H ARG 43 21.650 4.278 -25.384 326 HA ARG 43 HA ARG 43 21.816 2.085 -23.395 327 1HB ARG 43 1HB ARG 43 21.862 1.578 -25.817 328 2HB ARG 43 2HB ARG 43 23.408 2.390 -25.943 329 1HG ARG 43 1HG ARG 43 24.612 0.813 -24.693 330 2HG ARG 43 2HG ARG 43 23.186 0.257 -23.814 331 1HD ARG 43 1HD ARG 43 22.302 -0.809 -25.645 332 2HD ARG 43 2HD ARG 43 23.476 -0.183 -26.785 333 HE ARG 43 HE ARG 43 25.287 -1.382 -25.297 334 1HH1 ARG 43 1HH1 ARG 43 23.382 -2.443 -23.326 335 2HH1 ARG 43 2HH1 ARG 43 23.214 -4.058 -23.729 336 1HH2 ARG 43 1HH2 ARG 43 24.565 -3.382 -26.923 337 2HH2 ARG 43 2HH2 ARG 43 23.925 -4.630 -25.887 338 HA PRO 44 HA PRO 44 24.664 3.977 -20.578 339 1HB PRO 44 1HB PRO 44 25.774 1.175 -21.166 340 2HB PRO 44 2HB PRO 44 25.962 2.096 -19.674 341 1HG PRO 44 1HG PRO 44 23.843 0.574 -19.829 342 2HG PRO 44 2HG PRO 44 23.565 2.214 -19.282 343 1HD PRO 44 1HD PRO 44 22.813 1.011 -21.909 344 2HD PRO 44 2HD PRO 44 22.122 2.420 -21.080 345 H GLY 45 H GLY 45 26.125 2.875 -23.411 346 1HA GLY 45 1HA GLY 45 27.619 4.602 -24.581 347 2HA GLY 45 2HA GLY 45 28.386 4.845 -23.004 348 H MET 46 H MET 46 30.401 4.275 -23.899 349 HA MET 46 HA MET 46 30.767 1.452 -24.820 350 1HB MET 46 1HB MET 46 32.959 3.575 -24.693 351 2HB MET 46 2HB MET 46 32.810 2.229 -25.801 352 1HG MET 46 1HG MET 46 30.762 3.369 -26.789 353 2HG MET 46 2HG MET 46 31.090 4.685 -25.692 354 1HE MET 46 1HE MET 46 30.996 6.516 -27.515 355 2HE MET 46 2HE MET 46 32.602 7.070 -27.940 356 3HE MET 46 3HE MET 46 32.241 6.722 -26.256 357 H LEU 47 H LEU 47 30.110 1.091 -22.291 358 HA LEU 47 HA LEU 47 32.645 1.015 -20.735 359 1HB LEU 47 1HB LEU 47 30.026 1.330 -19.265 360 2HB LEU 47 2HB LEU 47 31.613 1.890 -18.830 361 HG LEU 47 HG LEU 47 29.796 3.192 -20.908 362 1HD1 LEU 47 1HD1 LEU 47 30.507 3.962 -18.050 363 2HD1 LEU 47 2HD1 LEU 47 28.955 3.323 -18.575 364 3HD1 LEU 47 3HD1 LEU 47 29.489 4.892 -19.140 365 1HD2 LEU 47 1HD2 LEU 47 32.211 3.685 -21.336 366 2HD2 LEU 47 2HD2 LEU 47 32.402 4.180 -19.665 367 3HD2 LEU 47 3HD2 LEU 47 31.372 5.086 -20.762 368 H ASP 48 H ASP 48 32.717 -1.280 -21.605 369 HA ASP 48 HA ASP 48 30.466 -2.982 -20.872 370 1HB ASP 48 1HB ASP 48 33.088 -3.288 -22.371 371 2HB ASP 48 2HB ASP 48 32.053 -4.681 -22.049 372 H PHE 49 H PHE 49 31.350 -2.003 -18.609 373 HA PHE 49 HA PHE 49 32.497 -4.341 -17.119 374 1HB PHE 49 1HB PHE 49 33.100 -2.701 -15.351 375 2HB PHE 49 2HB PHE 49 33.473 -1.870 -16.829 376 HD1 PHE 49 HD1 PHE 49 31.636 -0.138 -17.702 377 HD2 PHE 49 HD2 PHE 49 31.772 -1.643 -13.709 378 HE1 PHE 49 HE1 PHE 49 30.288 1.756 -16.897 379 HE2 PHE 49 HE2 PHE 49 30.483 0.231 -12.948 380 HZ PHE 49 HZ PHE 49 29.688 1.901 -14.479 381 H LYS 50 H LYS 50 30.386 -2.151 -15.741 382 HA LYS 50 HA LYS 50 27.999 -3.814 -15.305 383 1HB LYS 50 1HB LYS 50 28.977 -1.301 -13.982 384 2HB LYS 50 2HB LYS 50 27.751 -2.372 -13.489 385 1HG LYS 50 1HG LYS 50 29.218 -4.233 -13.121 386 2HG LYS 50 2HG LYS 50 30.601 -3.384 -13.738 387 1HD LYS 50 1HD LYS 50 30.188 -1.594 -11.894 388 2HD LYS 50 2HD LYS 50 29.023 -2.689 -11.203 389 1HE LYS 50 1HE LYS 50 31.972 -3.251 -11.547 390 2HE LYS 50 2HE LYS 50 31.103 -2.964 -10.040 391 1HZ LYS 50 1HZ LYS 50 31.342 -5.461 -11.367 392 2HZ LYS 50 2HZ LYS 50 29.738 -4.938 -11.498 393 3HZ LYS 50 3HZ LYS 50 30.338 -5.130 -10.026 394 H GLY 51 H GLY 51 29.191 -1.009 -16.686 395 1HA GLY 51 1HA GLY 51 27.434 0.940 -17.203 396 2HA GLY 51 2HA GLY 51 28.390 0.309 -18.540 397 H LYS 52 H LYS 52 27.493 -1.591 -19.532 398 HA LYS 52 HA LYS 52 24.771 -1.073 -20.490 399 1HB LYS 52 1HB LYS 52 26.723 -3.302 -21.065 400 2HB LYS 52 2HB LYS 52 25.120 -3.323 -21.738 401 1HG LYS 52 1HG LYS 52 26.343 -2.400 -23.475 402 2HG LYS 52 2HG LYS 52 25.693 -0.969 -22.701 403 1HD LYS 52 1HD LYS 52 27.786 -0.441 -21.609 404 2HD LYS 52 2HD LYS 52 28.472 -2.013 -21.933 405 1HE LYS 52 1HE LYS 52 27.656 -0.145 -24.168 406 2HE LYS 52 2HE LYS 52 29.280 -0.138 -23.460 407 1HZ LYS 52 1HZ LYS 52 29.825 -1.936 -24.645 408 2HZ LYS 52 2HZ LYS 52 28.289 -1.983 -25.407 409 3HZ LYS 52 3HZ LYS 52 28.620 -2.751 -23.914 410 H ALA 53 H ALA 53 26.112 -3.208 -18.305 411 HA ALA 53 HA ALA 53 24.138 -5.270 -18.240 412 1HB ALA 53 1HB ALA 53 25.849 -4.237 -15.808 413 2HB ALA 53 2HB ALA 53 26.384 -5.425 -16.982 414 3HB ALA 53 3HB ALA 53 25.081 -5.804 -15.878 415 H LYS 54 H LYS 54 24.434 -2.423 -16.263 416 HA LYS 54 HA LYS 54 21.880 -2.661 -14.921 417 1HB LYS 54 1HB LYS 54 22.308 -0.390 -14.146 418 2HB LYS 54 2HB LYS 54 23.836 -1.248 -14.257 419 1HG LYS 54 1HG LYS 54 24.045 -0.311 -16.586 420 2HG LYS 54 2HG LYS 54 22.730 0.799 -16.197 421 1HD LYS 54 1HD LYS 54 24.127 1.426 -14.132 422 2HD LYS 54 2HD LYS 54 25.447 0.495 -14.840 423 1HE LYS 54 1HE LYS 54 25.231 1.963 -16.921 424 2HE LYS 54 2HE LYS 54 24.114 2.976 -16.022 425 1HZ LYS 54 1HZ LYS 54 26.922 3.118 -15.953 426 2HZ LYS 54 2HZ LYS 54 26.460 2.504 -14.448 427 3HZ LYS 54 3HZ LYS 54 25.819 3.960 -14.985 428 H TRP 55 H TRP 55 22.422 -1.725 -18.286 429 HA TRP 55 HA TRP 55 19.802 -0.301 -18.391 430 1HB TRP 55 1HB TRP 55 21.960 0.248 -19.726 431 2HB TRP 55 2HB TRP 55 21.617 -1.128 -20.736 432 HD1 TRP 55 HD1 TRP 55 19.947 2.252 -19.619 433 HE1 TRP 55 HE1 TRP 55 18.477 2.872 -21.606 434 HE3 TRP 55 HE3 TRP 55 20.447 -1.776 -22.684 435 HZ2 TRP 55 HZ2 TRP 55 17.556 1.985 -24.013 436 HZ3 TRP 55 HZ3 TRP 55 19.243 -1.865 -24.851 437 HH2 TRP 55 HH2 TRP 55 17.781 0.056 -25.527 438 H ASP 56 H ASP 56 21.519 -3.044 -20.187 439 HA ASP 56 HA ASP 56 19.667 -4.424 -21.178 440 1HB ASP 56 1HB ASP 56 22.217 -4.848 -19.629 441 2HB ASP 56 2HB ASP 56 21.658 -6.203 -20.470 442 H ALA 57 H ALA 57 20.659 -4.832 -17.805 443 HA ALA 57 HA ALA 57 18.937 -6.746 -16.910 444 1HB ALA 57 1HB ALA 57 19.309 -5.634 -14.669 445 2HB ALA 57 2HB ALA 57 19.870 -4.194 -15.509 446 3HB ALA 57 3HB ALA 57 20.777 -5.694 -15.644 447 H TRP 58 H TRP 58 18.152 -3.560 -17.685 448 HA TRP 58 HA TRP 58 15.341 -3.648 -16.693 449 1HB TRP 58 1HB TRP 58 16.791 -1.589 -16.164 450 2HB TRP 58 2HB TRP 58 17.007 -1.359 -17.865 451 HD1 TRP 58 HD1 TRP 58 13.435 -2.364 -17.215 452 HE1 TRP 58 HE1 TRP 58 12.075 -0.150 -17.386 453 HE3 TRP 58 HE3 TRP 58 17.046 1.043 -17.085 454 HZ2 TRP 58 HZ2 TRP 58 12.378 2.615 -17.469 455 HZ3 TRP 58 HZ3 TRP 58 16.560 3.504 -17.189 456 HH2 TRP 58 HH2 TRP 58 14.257 4.277 -17.391 457 H ASN 59 H ASN 59 17.196 -3.393 -19.488 458 HA ASN 59 HA ASN 59 15.165 -2.944 -21.565 459 1HB ASN 59 1HB ASN 59 17.741 -2.849 -21.921 460 2HB ASN 59 2HB ASN 59 17.711 -4.602 -21.898 461 1HD2 ASN 59 1HD2 ASN 59 17.873 -5.313 -24.124 462 2HD2 ASN 59 2HD2 ASN 59 17.084 -4.507 -25.406 463 H GLU 60 H GLU 60 16.543 -5.757 -20.139 464 HA GLU 60 HA GLU 60 15.126 -7.796 -21.433 465 1HB GLU 60 1HB GLU 60 17.291 -7.878 -19.985 466 2HB GLU 60 2HB GLU 60 16.245 -7.772 -18.580 467 1HG GLU 60 1HG GLU 60 16.567 -10.149 -18.855 468 2HG GLU 60 2HG GLU 60 15.009 -9.876 -19.604 469 H LEU 61 H LEU 61 14.132 -5.599 -19.088 470 HA LEU 61 HA LEU 61 11.703 -7.171 -18.391 471 1HB LEU 61 1HB LEU 61 12.576 -4.529 -17.197 472 2HB LEU 61 2HB LEU 61 11.327 -5.602 -16.584 473 HG LEU 61 HG LEU 61 14.332 -6.057 -16.527 474 1HD1 LEU 61 1HD1 LEU 61 13.322 -4.424 -14.913 475 2HD1 LEU 61 2HD1 LEU 61 13.859 -5.883 -14.088 476 3HD1 LEU 61 3HD1 LEU 61 12.153 -5.641 -14.425 477 1HD2 LEU 61 1HD2 LEU 61 13.771 -8.107 -15.314 478 2HD2 LEU 61 2HD2 LEU 61 13.127 -8.141 -16.951 479 3HD2 LEU 61 3HD2 LEU 61 12.047 -7.831 -15.586 480 H LYS 62 H LYS 62 12.617 -4.821 -20.591 481 HA LYS 62 HA LYS 62 10.596 -2.887 -20.439 482 1HB LYS 62 1HB LYS 62 12.814 -3.278 -21.954 483 2HB LYS 62 2HB LYS 62 11.687 -4.080 -23.026 484 1HG LYS 62 1HG LYS 62 10.353 -1.785 -22.699 485 2HG LYS 62 2HG LYS 62 11.936 -1.134 -22.357 486 1HD LYS 62 1HD LYS 62 10.929 -2.499 -24.888 487 2HD LYS 62 2HD LYS 62 11.499 -0.852 -24.735 488 1HE LYS 62 1HE LYS 62 13.348 -3.235 -24.397 489 2HE LYS 62 2HE LYS 62 13.054 -2.459 -25.938 490 1HZ LYS 62 1HZ LYS 62 13.616 -0.447 -23.994 491 2HZ LYS 62 2HZ LYS 62 14.505 -0.860 -25.371 492 3HZ LYS 62 3HZ LYS 62 14.819 -1.662 -23.947 493 H GLY 63 H GLY 63 8.442 -2.973 -20.943 494 1HA GLY 63 1HA GLY 63 6.563 -3.919 -22.231 495 2HA GLY 63 2HA GLY 63 7.301 -5.521 -22.064 496 H THR 64 H THR 64 7.861 -4.049 -19.230 497 HA THR 64 HA THR 64 5.513 -5.367 -17.936 498 HB THR 64 HB THR 64 8.050 -4.362 -16.562 499 HG1 THR 64 HG1 THR 64 8.565 -5.893 -17.968 500 1HG2 THR 64 1HG2 THR 64 6.036 -6.545 -15.863 501 2HG2 THR 64 2HG2 THR 64 6.033 -4.983 -15.026 502 3HG2 THR 64 3HG2 THR 64 7.410 -6.046 -14.905 503 H SER 65 H SER 65 4.499 -4.466 -16.049 504 HA SER 65 HA SER 65 4.082 -1.523 -16.320 505 1HB SER 65 1HB SER 65 2.035 -3.051 -16.313 506 2HB SER 65 2HB SER 65 2.374 -3.379 -14.591 507 HG SER 65 HG SER 65 1.622 -1.275 -14.243 508 H LYS 66 H LYS 66 3.960 -0.261 -14.639 509 HA LYS 66 HA LYS 66 6.125 -0.246 -12.889 510 1HB LYS 66 1HB LYS 66 3.411 1.081 -12.661 511 2HB LYS 66 2HB LYS 66 4.698 1.469 -11.535 512 1HG LYS 66 1HG LYS 66 5.556 2.903 -13.042 513 2HG LYS 66 2HG LYS 66 6.018 1.562 -14.022 514 1HD LYS 66 1HD LYS 66 4.690 2.701 -15.556 515 2HD LYS 66 2HD LYS 66 3.473 1.634 -14.868 516 1HE LYS 66 1HE LYS 66 2.699 3.324 -13.354 517 2HE LYS 66 2HE LYS 66 4.025 4.404 -13.800 518 1HZ LYS 66 1HZ LYS 66 2.921 5.057 -15.638 519 2HZ LYS 66 2HZ LYS 66 1.566 4.170 -15.104 520 3HZ LYS 66 3HZ LYS 66 2.713 3.441 -16.122 521 H GLU 67 H GLU 67 2.960 -1.092 -11.918 522 HA GLU 67 HA GLU 67 3.319 -1.784 -9.296 523 1HB GLU 67 1HB GLU 67 1.570 -2.953 -11.515 524 2HB GLU 67 2HB GLU 67 1.313 -3.284 -9.858 525 1HG GLU 67 1HG GLU 67 -0.238 -1.397 -10.521 526 2HG GLU 67 2HG GLU 67 0.990 -0.722 -9.463 527 H ASP 68 H ASP 68 3.733 -4.259 -12.000 528 HA ASP 68 HA ASP 68 4.431 -6.266 -10.135 529 1HB ASP 68 1HB ASP 68 4.724 -5.716 -13.121 530 2HB ASP 68 2HB ASP 68 5.371 -7.182 -12.436 531 H ALA 69 H ALA 69 6.177 -3.984 -11.907 532 HA ALA 69 HA ALA 69 8.815 -4.926 -11.196 533 1HB ALA 69 1HB ALA 69 8.343 -3.347 -13.064 534 2HB ALA 69 2HB ALA 69 9.526 -2.610 -11.978 535 3HB ALA 69 3HB ALA 69 7.821 -2.127 -11.938 536 H MET 70 H MET 70 6.570 -2.573 -9.738 537 HA MET 70 HA MET 70 8.275 -1.883 -7.537 538 1HB MET 70 1HB MET 70 5.137 -2.075 -7.568 539 2HB MET 70 2HB MET 70 6.013 -1.383 -6.221 540 1HG MET 70 1HG MET 70 6.972 0.301 -7.902 541 2HG MET 70 2HG MET 70 5.769 -0.294 -9.002 542 1HE MET 70 1HE MET 70 5.294 3.140 -8.416 543 2HE MET 70 2HE MET 70 3.826 2.343 -9.050 544 3HE MET 70 3HE MET 70 5.419 1.780 -9.513 545 H LYS 71 H LYS 71 5.798 -4.436 -7.699 546 HA LYS 71 HA LYS 71 6.296 -5.564 -5.217 547 1HB LYS 71 1HB LYS 71 5.804 -7.041 -7.872 548 2HB LYS 71 2HB LYS 71 5.643 -7.770 -6.275 549 1HG LYS 71 1HG LYS 71 3.975 -5.788 -5.784 550 2HG LYS 71 2HG LYS 71 4.067 -5.428 -7.470 551 1HD LYS 71 1HD LYS 71 2.105 -6.661 -7.356 552 2HD LYS 71 2HD LYS 71 3.269 -7.801 -7.984 553 1HE LYS 71 1HE LYS 71 2.679 -7.550 -5.008 554 2HE LYS 71 2HE LYS 71 1.724 -8.601 -6.053 555 1HZ LYS 71 1HZ LYS 71 4.363 -9.059 -6.694 556 2HZ LYS 71 2HZ LYS 71 3.371 -10.133 -5.853 557 3HZ LYS 71 3HZ LYS 71 4.358 -9.053 -4.995 558 H ALA 72 H ALA 72 7.929 -6.716 -8.170 559 HA ALA 72 HA ALA 72 9.953 -8.208 -6.793 560 1HB ALA 72 1HB ALA 72 9.393 -8.381 -9.214 561 2HB ALA 72 2HB ALA 72 11.107 -8.062 -9.076 562 3HB ALA 72 3HB ALA 72 10.002 -6.770 -9.499 563 H TYR 73 H TYR 73 10.091 -4.763 -7.769 564 HA TYR 73 HA TYR 73 12.716 -4.192 -7.066 565 1HB TYR 73 1HB TYR 73 11.166 -2.434 -8.094 566 2HB TYR 73 2HB TYR 73 10.196 -2.491 -6.623 567 HD1 TYR 73 HD1 TYR 73 13.755 -2.235 -7.618 568 HD2 TYR 73 HD2 TYR 73 10.702 -0.893 -4.955 569 HE1 TYR 73 HE1 TYR 73 15.332 -0.753 -6.545 570 HE2 TYR 73 HE2 TYR 73 12.340 0.623 -3.888 571 HH TYR 73 HH TYR 73 15.420 1.117 -5.298 572 H ILE 74 H ILE 74 9.886 -3.892 -5.146 573 HA ILE 74 HA ILE 74 11.073 -3.316 -2.655 574 HB ILE 74 HB ILE 74 8.369 -4.601 -3.311 575 1HG1 ILE 74 1HG1 ILE 74 8.983 -1.683 -2.718 576 2HG1 ILE 74 2HG1 ILE 74 9.012 -2.275 -4.361 577 1HG2 ILE 74 1HG2 ILE 74 9.366 -3.002 -0.850 578 2HG2 ILE 74 2HG2 ILE 74 9.094 -4.737 -0.872 579 3HG2 ILE 74 3HG2 ILE 74 7.746 -3.642 -1.076 580 1HD1 ILE 74 1HD1 ILE 74 6.585 -2.447 -2.514 581 2HD1 ILE 74 2HD1 ILE 74 6.684 -3.099 -4.145 582 3HD1 ILE 74 3HD1 ILE 74 6.823 -1.372 -3.882 583 H ASP 75 H ASP 75 10.115 -6.472 -4.085 584 HA ASP 75 HA ASP 75 10.739 -8.049 -1.751 585 1HB ASP 75 1HB ASP 75 10.140 -8.356 -4.662 586 2HB ASP 75 2HB ASP 75 10.810 -9.742 -3.904 587 H LYS 76 H LYS 76 12.670 -6.548 -4.173 588 HA LYS 76 HA LYS 76 15.008 -8.243 -3.573 589 1HB LYS 76 1HB LYS 76 14.372 -7.117 -5.821 590 2HB LYS 76 2HB LYS 76 14.988 -5.618 -5.177 591 1HG LYS 76 1HG LYS 76 16.870 -6.727 -6.380 592 2HG LYS 76 2HG LYS 76 17.216 -6.842 -4.665 593 1HD LYS 76 1HD LYS 76 16.427 -9.136 -4.532 594 2HD LYS 76 2HD LYS 76 15.688 -9.081 -6.121 595 1HE LYS 76 1HE LYS 76 18.024 -9.112 -7.062 596 2HE LYS 76 2HE LYS 76 18.654 -9.146 -5.421 597 1HZ LYS 76 1HZ LYS 76 18.162 -11.358 -5.224 598 2HZ LYS 76 2HZ LYS 76 17.685 -11.420 -6.862 599 3HZ LYS 76 3HZ LYS 76 16.615 -11.075 -5.586 600 H VAL 77 H VAL 77 13.889 -4.832 -3.138 601 HA VAL 77 HA VAL 77 15.923 -3.916 -1.438 602 HB VAL 77 HB VAL 77 12.874 -3.550 -1.189 603 1HG1 VAL 77 1HG1 VAL 77 15.162 -1.899 -0.026 604 2HG1 VAL 77 2HG1 VAL 77 14.051 -2.899 0.894 605 3HG1 VAL 77 3HG1 VAL 77 13.484 -1.462 0.074 606 1HG2 VAL 77 1HG2 VAL 77 13.899 -2.754 -3.408 607 2HG2 VAL 77 2HG2 VAL 77 15.033 -1.780 -2.507 608 3HG2 VAL 77 3HG2 VAL 77 13.343 -1.383 -2.478 609 H GLU 78 H GLU 78 13.081 -6.029 -0.627 610 HA GLU 78 HA GLU 78 13.754 -6.467 2.013 611 1HB GLU 78 1HB GLU 78 12.066 -7.668 -0.156 612 2HB GLU 78 2HB GLU 78 12.385 -8.792 1.097 613 1HG GLU 78 1HG GLU 78 11.062 -6.015 1.356 614 2HG GLU 78 2HG GLU 78 10.306 -7.560 1.708 615 H GLU 79 H GLU 79 14.487 -8.703 -0.771 616 HA GLU 79 HA GLU 79 16.131 -10.528 0.515 617 1HB GLU 79 1HB GLU 79 16.602 -9.175 -2.185 618 2HB GLU 79 2HB GLU 79 17.614 -10.494 -1.653 619 1HG GLU 79 1HG GLU 79 15.613 -12.037 -1.583 620 2HG GLU 79 2HG GLU 79 14.597 -10.722 -2.142 621 H LEU 80 H LEU 80 17.030 -7.317 -0.479 622 HA LEU 80 HA LEU 80 19.783 -7.326 0.271 623 1HB LEU 80 1HB LEU 80 17.750 -5.107 -0.211 624 2HB LEU 80 2HB LEU 80 19.445 -4.781 0.094 625 HG LEU 80 HG LEU 80 18.453 -6.590 -2.131 626 1HD1 LEU 80 1HD1 LEU 80 17.763 -4.250 -2.501 627 2HD1 LEU 80 2HD1 LEU 80 19.069 -4.720 -3.584 628 3HD1 LEU 80 3HD1 LEU 80 19.408 -3.708 -2.187 629 1HD2 LEU 80 1HD2 LEU 80 20.828 -6.189 -2.884 630 2HD2 LEU 80 2HD2 LEU 80 20.795 -7.040 -1.387 631 3HD2 LEU 80 3HD2 LEU 80 21.134 -5.316 -1.414 632 H LYS 81 H LYS 81 17.044 -5.822 2.018 633 HA LYS 81 HA LYS 81 18.433 -4.888 4.235 634 1HB LYS 81 1HB LYS 81 15.955 -4.635 3.842 635 2HB LYS 81 2HB LYS 81 15.699 -6.361 3.943 636 1HG LYS 81 1HG LYS 81 15.471 -6.301 6.223 637 2HG LYS 81 2HG LYS 81 16.939 -5.399 6.419 638 1HD LYS 81 1HD LYS 81 15.248 -4.035 7.399 639 2HD LYS 81 2HD LYS 81 15.654 -3.231 5.930 640 1HE LYS 81 1HE LYS 81 13.244 -5.037 6.152 641 2HE LYS 81 2HE LYS 81 13.213 -3.377 6.728 642 1HZ LYS 81 1HZ LYS 81 14.335 -3.429 4.122 643 2HZ LYS 81 2HZ LYS 81 12.969 -2.626 4.645 644 3HZ LYS 81 3HZ LYS 81 12.881 -4.303 4.131 645 H LYS 82 H LYS 82 17.477 -8.255 3.826 646 HA LYS 82 HA LYS 82 18.611 -9.117 6.235 647 1HB LYS 82 1HB LYS 82 18.197 -10.599 3.617 648 2HB LYS 82 2HB LYS 82 18.533 -11.410 5.140 649 1HG LYS 82 1HG LYS 82 16.475 -10.522 6.118 650 2HG LYS 82 2HG LYS 82 16.173 -9.525 4.705 651 1HD LYS 82 1HD LYS 82 16.034 -11.543 3.276 652 2HD LYS 82 2HD LYS 82 16.321 -12.577 4.679 653 1HE LYS 82 1HE LYS 82 14.277 -11.498 5.736 654 2HE LYS 82 2HE LYS 82 14.011 -10.655 4.220 655 1HZ LYS 82 1HZ LYS 82 13.038 -12.442 3.398 656 2HZ LYS 82 2HZ LYS 82 13.244 -13.302 4.852 657 3HZ LYS 82 3HZ LYS 82 14.408 -13.410 3.634 658 H LYS 83 H LYS 83 20.044 -8.796 3.178 659 HA LYS 83 HA LYS 83 22.589 -10.072 3.726 660 1HB LYS 83 1HB LYS 83 21.687 -8.140 1.555 661 2HB LYS 83 2HB LYS 83 23.254 -8.923 1.555 662 1HG LYS 83 1HG LYS 83 22.343 -11.054 1.180 663 2HG LYS 83 2HG LYS 83 20.761 -10.598 1.787 664 1HD LYS 83 1HD LYS 83 20.318 -9.164 -0.148 665 2HD LYS 83 2HD LYS 83 21.926 -9.379 -0.787 666 1HE LYS 83 1HE LYS 83 20.096 -11.716 -0.234 667 2HE LYS 83 2HE LYS 83 19.936 -10.773 -1.714 668 1HZ LYS 83 1HZ LYS 83 21.748 -11.686 -2.534 669 2HZ LYS 83 2HZ LYS 83 21.929 -12.742 -1.186 670 3HZ LYS 83 3HZ LYS 83 22.665 -11.191 -1.334 671 H TYR 84 H TYR 84 21.608 -6.713 3.499 672 HA TYR 84 HA TYR 84 24.282 -5.915 4.522 673 1HB TYR 84 1HB TYR 84 21.973 -4.304 3.288 674 2HB TYR 84 2HB TYR 84 23.569 -3.643 3.691 675 HD1 TYR 84 HD1 TYR 84 25.613 -5.109 2.913 676 HD2 TYR 84 HD2 TYR 84 21.756 -5.397 1.083 677 HE1 TYR 84 HE1 TYR 84 26.577 -6.244 0.963 678 HE2 TYR 84 HE2 TYR 84 22.773 -6.532 -0.811 679 HH TYR 84 HH TYR 84 24.548 -7.467 -1.616 680 H GLY 85 H GLY 85 21.050 -6.083 6.106 681 1HA GLY 85 1HA GLY 85 21.072 -5.922 8.481 682 2HA GLY 85 2HA GLY 85 22.572 -5.058 8.443 683 H ILE 86 H ILE 86 19.612 -4.134 6.805 684 HA ILE 86 HA ILE 86 19.478 -1.743 8.575 685 HB ILE 86 HB ILE 86 20.021 -1.179 6.282 686 1HG1 ILE 86 1HG1 ILE 86 17.017 -0.810 6.336 687 2HG1 ILE 86 2HG1 ILE 86 18.031 0.099 7.411 688 1HG2 ILE 86 1HG2 ILE 86 19.497 -3.271 5.153 689 2HG2 ILE 86 2HG2 ILE 86 18.632 -1.979 4.333 690 3HG2 ILE 86 3HG2 ILE 86 17.774 -3.023 5.457 691 1HD1 ILE 86 1HD1 ILE 86 19.302 0.982 5.335 692 2HD1 ILE 86 2HD1 ILE 86 17.599 1.411 5.293 693 3HD1 ILE 86 3HD1 ILE 86 18.190 0.093 4.325 694 AH2 COA 1 AH2 COA 1 17.250 1.240 -8.078 695 AH61 COA 1 AH61 COA 1 15.523 2.453 -4.231 696 AH62 COA 1 AH62 COA 1 15.927 4.130 -3.889 697 AH8 COA 1 AH8 COA 1 18.221 7.463 -6.859 698 AH1* COA 1 AH1* COA 1 18.582 4.981 -9.879 699 AH2* COA 1 AH2* COA 1 18.766 7.899 -8.981 700 AHO2 COA 1 AHO2 COA 1 17.728 7.615 -11.327 701 AH3* COA 1 AH3* COA 1 20.231 8.153 -10.887 702 AH4* COA 1 AH4* COA 1 21.765 6.024 -10.161 703 AH51 COA 1 AH51 COA 1 22.188 8.187 -8.813 704 AH52 COA 1 AH52 COA 1 22.241 6.721 -7.864 705 1H12 COA 1 1H12 COA 1 23.771 7.125 -3.634 706 2H12 COA 1 2H12 COA 1 24.473 8.704 -3.641 707 1H13 COA 1 1H13 COA 1 24.907 9.269 -6.817 708 2H13 COA 1 2H13 COA 1 23.593 8.130 -7.068 709 3H13 COA 1 3H13 COA 1 25.221 7.734 -7.568 710 1H14 COA 1 1H14 COA 1 23.527 5.964 -6.020 711 2H14 COA 1 2H14 COA 1 25.178 5.682 -6.536 712 3H14 COA 1 3H14 COA 1 24.720 5.437 -4.854 713 H10 COA 1 H10 COA 1 26.613 7.287 -4.087 714 HO1 COA 1 HO1 COA 1 25.627 9.687 -5.012 715 HN8 COA 1 HN8 COA 1 28.431 5.875 -6.623 716 1H7 COA 1 1H7 COA 1 26.699 5.357 -4.248 717 2H7 COA 1 2H7 COA 1 27.387 4.140 -5.274 718 1H6 COA 1 1H6 COA 1 29.669 5.608 -4.387 719 2H6 COA 1 2H6 COA 1 29.199 4.011 -3.819 720 HN4 COA 1 HN4 COA 1 27.175 4.246 -2.438 721 1H3 COA 1 1H3 COA 1 27.522 4.764 0.136 722 2H3 COA 1 2H3 COA 1 27.373 6.436 -0.432 723 1H2 COA 1 1H2 COA 1 25.171 5.735 0.249 724 2H2 COA 1 2H2 COA 1 25.159 5.847 -1.493 725 1H2 PLY 2 1H2 PLY 2 22.970 3.805 -3.242 726 2H2 PLY 2 2H2 PLY 2 23.050 2.277 -2.270 727 1H3 PLY 2 1H3 PLY 2 23.999 2.667 -5.138 728 2H3 PLY 2 2H3 PLY 2 24.082 1.161 -4.235 729 1H4 PLY 2 1H4 PLY 2 21.618 0.994 -4.079 730 2H4 PLY 2 2H4 PLY 2 21.390 2.606 -4.695 731 1H5 PLY 2 1H5 PLY 2 20.815 0.993 -6.256 732 2H5 PLY 2 2H5 PLY 2 22.435 0.325 -6.363 733 1H6 PLY 2 1H6 PLY 2 21.703 3.268 -6.885 734 2H6 PLY 2 2H6 PLY 2 23.282 2.536 -7.139 735 1H7 PLY 2 1H7 PLY 2 20.669 1.796 -8.437 736 2H7 PLY 2 2H7 PLY 2 22.164 0.926 -8.738 737 1H8 PLY 2 1H8 PLY 2 21.708 3.888 -9.341 738 2H8 PLY 2 2H8 PLY 2 21.867 2.645 -10.550 739 1H9 PLY 2 1H9 PLY 2 24.106 3.640 -8.734 740 2H9 PLY 2 2H9 PLY 2 23.879 3.961 -10.432 741 1HA PLY 2 1HA PLY 2 25.592 2.196 -9.891 742 2HA PLY 2 2HA PLY 2 24.291 1.189 -9.299 743 1HB PLY 2 1HB PLY 2 24.513 2.315 -12.113 744 2HB PLY 2 2HB PLY 2 23.225 1.259 -11.569 745 1HC PLY 2 1HC PLY 2 26.210 0.539 -11.595 746 2HC PLY 2 2HC PLY 2 25.035 0.006 -12.776 747 1HD PLY 2 1HD PLY 2 23.919 -0.650 -10.239 748 2HD PLY 2 2HD PLY 2 25.608 -1.127 -10.154 749 1HE PLY 2 1HE PLY 2 24.105 -2.884 -10.986 750 2HE PLY 2 2HE PLY 2 23.604 -1.861 -12.304 751 1HF PLY 2 1HF PLY 2 26.093 -1.818 -13.033 752 2HF PLY 2 2HF PLY 2 25.268 -3.355 -13.281 753 1HG PLY 2 1HG PLY 2 27.032 -2.706 -11.000 754 2HG PLY 2 2HG PLY 2 26.026 -4.160 -11.159 755 3HG PLY 2 3HG PLY 2 27.266 -3.846 -12.351 Start of MODEL 17 1 1H SER 1 1H SER 1 1.477 3.293 -8.344 2 2H SER 1 2H SER 1 0.801 4.770 -7.816 3 H SER 1 H SER 1 1.853 3.883 -6.812 4 HA SER 1 HA SER 1 -0.950 3.629 -6.982 5 1HB SER 1 1HB SER 1 -0.904 1.070 -7.599 6 2HB SER 1 2HB SER 1 -0.626 2.171 -8.961 7 HG SER 1 HG SER 1 1.026 0.471 -8.333 8 H GLN 2 H GLN 2 1.682 1.384 -6.282 9 HA GLN 2 HA GLN 2 0.796 1.207 -3.427 10 1HB GLN 2 1HB GLN 2 0.839 -0.872 -4.953 11 2HB GLN 2 2HB GLN 2 2.587 -0.746 -4.984 12 1HG GLN 2 1HG GLN 2 2.090 -0.609 -2.237 13 2HG GLN 2 2HG GLN 2 0.771 -1.623 -2.744 14 1HE2 GLN 2 1HE2 GLN 2 4.286 -1.351 -2.980 15 2HE2 GLN 2 2HE2 GLN 2 4.562 -3.038 -2.909 16 H ALA 3 H ALA 3 1.952 3.357 -3.451 17 HA ALA 3 HA ALA 3 4.459 4.236 -3.626 18 1HB ALA 3 1HB ALA 3 2.830 4.506 -1.070 19 2HB ALA 3 2HB ALA 3 2.642 5.482 -2.521 20 3HB ALA 3 3HB ALA 3 4.130 5.554 -1.592 21 H GLU 4 H GLU 4 3.757 1.628 -1.618 22 HA GLU 4 HA GLU 4 5.776 1.621 0.294 23 1HB GLU 4 1HB GLU 4 4.816 -0.842 -1.256 24 2HB GLU 4 2HB GLU 4 5.374 -0.745 0.378 25 1HG GLU 4 1HG GLU 4 3.395 0.688 1.001 26 2HG GLU 4 2HG GLU 4 2.731 0.358 -0.581 27 H PHE 5 H PHE 5 5.736 0.838 -2.840 28 HA PHE 5 HA PHE 5 8.436 -0.154 -3.266 29 1HB PHE 5 1HB PHE 5 6.813 -0.641 -4.872 30 2HB PHE 5 2HB PHE 5 6.267 1.040 -4.846 31 HD1 PHE 5 HD1 PHE 5 9.189 -1.137 -5.834 32 HD2 PHE 5 HD2 PHE 5 7.224 2.544 -6.452 33 HE1 PHE 5 HE1 PHE 5 10.730 -0.619 -7.704 34 HE2 PHE 5 HE2 PHE 5 8.712 3.086 -8.251 35 HZ PHE 5 HZ PHE 5 10.485 1.535 -8.907 36 H ASP 6 H ASP 6 7.040 3.001 -4.079 37 HA ASP 6 HA ASP 6 9.416 4.282 -4.811 38 1HB ASP 6 1HB ASP 6 6.818 5.232 -3.426 39 2HB ASP 6 2HB ASP 6 7.904 6.282 -4.280 40 H LYS 7 H LYS 7 7.874 4.015 -1.792 41 HA LYS 7 HA LYS 7 9.730 5.417 -0.163 42 1HB LYS 7 1HB LYS 7 7.460 4.795 0.461 43 2HB LYS 7 2HB LYS 7 7.750 3.109 0.138 44 1HG LYS 7 1HG LYS 7 9.442 3.197 2.137 45 2HG LYS 7 2HG LYS 7 8.745 4.773 2.485 46 1HD LYS 7 1HD LYS 7 6.432 3.745 2.457 47 2HD LYS 7 2HD LYS 7 7.149 2.185 2.094 48 1HE LYS 7 1HE LYS 7 8.258 2.107 4.269 49 2HE LYS 7 2HE LYS 7 7.634 3.708 4.669 50 1HZ LYS 7 1HZ LYS 7 5.461 2.174 3.758 51 2HZ LYS 7 2HZ LYS 7 5.722 2.748 5.337 52 3HZ LYS 7 3HZ LYS 7 6.282 1.207 4.880 53 H ALA 8 H ALA 8 9.455 1.955 -0.908 54 HA ALA 8 HA ALA 8 11.678 0.929 0.383 55 1HB ALA 8 1HB ALA 8 11.667 -0.847 -1.375 56 2HB ALA 8 2HB ALA 8 10.773 0.193 -2.457 57 3HB ALA 8 3HB ALA 8 10.019 -0.390 -0.991 58 H ALA 9 H ALA 9 11.587 2.824 -2.612 59 HA ALA 9 HA ALA 9 14.311 2.448 -3.361 60 1HB ALA 9 1HB ALA 9 12.698 5.047 -3.534 61 2HB ALA 9 2HB ALA 9 12.566 3.719 -4.673 62 3HB ALA 9 3HB ALA 9 14.066 4.642 -4.553 63 H GLU 10 H GLU 10 13.085 4.796 -0.951 64 HA GLU 10 HA GLU 10 15.579 6.111 -0.352 65 1HB GLU 10 1HB GLU 10 13.214 5.345 1.471 66 2HB GLU 10 2HB GLU 10 14.474 6.459 1.950 67 1HG GLU 10 1HG GLU 10 13.756 7.933 -0.072 68 2HG GLU 10 2HG GLU 10 12.384 6.847 -0.252 69 H GLU 11 H GLU 11 14.124 3.386 1.289 70 HA GLU 11 HA GLU 11 16.081 2.686 2.983 71 1HB GLU 11 1HB GLU 11 14.220 1.068 1.257 72 2HB GLU 11 2HB GLU 11 15.297 0.240 2.348 73 1HG GLU 11 1HG GLU 11 14.129 2.453 3.811 74 2HG GLU 11 2HG GLU 11 12.855 1.653 2.948 75 H VAL 12 H VAL 12 15.971 1.305 -0.194 76 HA VAL 12 HA VAL 12 18.409 -0.128 -0.037 77 HB VAL 12 HB VAL 12 16.437 0.145 -1.855 78 1HG1 VAL 12 1HG1 VAL 12 17.234 2.258 -2.823 79 2HG1 VAL 12 2HG1 VAL 12 17.264 0.965 -4.009 80 3HG1 VAL 12 3HG1 VAL 12 18.760 1.524 -3.281 81 1HG2 VAL 12 1HG2 VAL 12 19.286 -0.825 -2.479 82 2HG2 VAL 12 2HG2 VAL 12 17.843 -1.282 -3.367 83 3HG2 VAL 12 3HG2 VAL 12 18.016 -1.782 -1.696 84 H LYS 13 H LYS 13 18.345 3.407 -0.541 85 HA LYS 13 HA LYS 13 21.213 3.152 -1.282 86 1HB LYS 13 1HB LYS 13 19.057 5.221 -1.540 87 2HB LYS 13 2HB LYS 13 20.670 5.799 -1.270 88 1HG LYS 13 1HG LYS 13 21.422 4.178 -3.168 89 2HG LYS 13 2HG LYS 13 19.737 3.721 -3.337 90 1HD LYS 13 1HD LYS 13 20.216 5.284 -5.084 91 2HD LYS 13 2HD LYS 13 19.202 6.119 -3.919 92 1HE LYS 13 1HE LYS 13 21.039 7.358 -3.051 93 2HE LYS 13 2HE LYS 13 22.220 6.321 -3.848 94 1HZ LYS 13 1HZ LYS 13 22.022 7.550 -5.699 95 2HZ LYS 13 2HZ LYS 13 21.012 8.604 -4.938 96 3HZ LYS 13 3HZ LYS 13 20.341 7.340 -5.778 97 H HIS 14 H HIS 14 19.740 2.800 1.455 98 HA HIS 14 HA HIS 14 21.585 4.401 3.119 99 1HB HIS 14 1HB HIS 14 18.833 3.088 3.642 100 2HB HIS 14 2HB HIS 14 19.854 3.741 4.915 101 HD1 HIS 14 HD1 HIS 14 17.521 4.940 2.238 102 HD2 HIS 14 HD2 HIS 14 20.226 6.537 4.870 103 HE1 HIS 14 HE1 HIS 14 17.107 7.367 2.297 104 H LEU 15 H LEU 15 20.902 1.365 1.695 105 HA LEU 15 HA LEU 15 21.893 -0.457 3.665 106 1HB LEU 15 1HB LEU 15 22.065 -0.539 0.615 107 2HB LEU 15 2HB LEU 15 22.393 -1.915 1.634 108 HG LEU 15 HG LEU 15 19.728 -0.449 1.569 109 1HD1 LEU 15 1HD1 LEU 15 20.626 -3.053 0.216 110 2HD1 LEU 15 2HD1 LEU 15 20.255 -1.534 -0.599 111 3HD1 LEU 15 3HD1 LEU 15 18.990 -2.422 0.230 112 1HD2 LEU 15 1HD2 LEU 15 18.920 -2.487 2.713 113 2HD2 LEU 15 2HD2 LEU 15 20.211 -1.793 3.666 114 3HD2 LEU 15 3HD2 LEU 15 20.521 -3.191 2.649 115 H LYS 16 H LYS 16 23.537 0.508 4.553 116 HA LYS 16 HA LYS 16 25.756 1.928 3.829 117 1HB LYS 16 1HB LYS 16 25.899 -0.370 5.819 118 2HB LYS 16 2HB LYS 16 26.805 1.124 5.870 119 1HG LYS 16 1HG LYS 16 25.194 1.872 7.341 120 2HG LYS 16 2HG LYS 16 24.229 2.139 5.921 121 1HD LYS 16 1HD LYS 16 22.897 0.945 7.584 122 2HD LYS 16 2HD LYS 16 23.117 -0.130 6.236 123 1HE LYS 16 1HE LYS 16 24.338 -1.645 7.463 124 2HE LYS 16 2HE LYS 16 25.227 -0.395 8.317 125 1HZ LYS 16 1HZ LYS 16 23.799 -0.688 10.076 126 2HZ LYS 16 2HZ LYS 16 22.958 -1.874 9.212 127 3HZ LYS 16 3HZ LYS 16 22.483 -0.275 9.131 128 H THR 17 H THR 17 25.319 -1.081 2.497 129 HA THR 17 HA THR 17 28.164 -1.205 1.674 130 HB THR 17 HB THR 17 26.545 -3.388 3.021 131 HG1 THR 17 HG1 THR 17 28.290 -1.470 3.594 132 1HG2 THR 17 1HG2 THR 17 29.390 -3.536 1.912 133 2HG2 THR 17 2HG2 THR 17 28.052 -4.427 1.188 134 3HG2 THR 17 3HG2 THR 17 28.558 -4.776 2.833 135 H LYS 18 H LYS 18 27.420 -0.393 -0.376 136 HA LYS 18 HA LYS 18 25.916 -1.009 -2.406 137 1HB LYS 18 1HB LYS 18 28.151 -0.058 -2.707 138 2HB LYS 18 2HB LYS 18 28.858 -1.632 -2.570 139 1HG LYS 18 1HG LYS 18 26.980 -2.075 -4.589 140 2HG LYS 18 2HG LYS 18 27.449 -0.470 -4.978 141 1HD LYS 18 1HD LYS 18 29.034 -1.687 -6.197 142 2HD LYS 18 2HD LYS 18 29.925 -1.232 -4.768 143 1HE LYS 18 1HE LYS 18 30.275 -3.620 -5.302 144 2HE LYS 18 2HE LYS 18 29.480 -3.451 -3.746 145 1HZ LYS 18 1HZ LYS 18 28.429 -4.663 -6.165 146 2HZ LYS 18 2HZ LYS 18 27.477 -3.419 -5.707 147 3HZ LYS 18 3HZ LYS 18 27.688 -4.585 -4.575 148 HA PRO 19 HA PRO 19 25.382 -5.485 -1.760 149 1HB PRO 19 1HB PRO 19 22.993 -4.667 -3.409 150 2HB PRO 19 2HB PRO 19 23.086 -5.886 -2.160 151 1HG PRO 19 1HG PRO 19 22.154 -3.538 -1.333 152 2HG PRO 19 2HG PRO 19 23.489 -4.229 -0.393 153 1HD PRO 19 1HD PRO 19 23.705 -2.128 -2.625 154 2HD PRO 19 2HD PRO 19 24.399 -2.046 -0.989 155 H ALA 20 H ALA 20 25.287 -7.090 -3.053 156 HA ALA 20 HA ALA 20 27.104 -7.525 -5.145 157 1HB ALA 20 1HB ALA 20 25.793 -9.507 -5.910 158 2HB ALA 20 2HB ALA 20 24.403 -8.899 -5.052 159 3HB ALA 20 3HB ALA 20 25.824 -9.393 -4.160 160 H ASP 21 H ASP 21 27.304 -7.070 -7.376 161 HA ASP 21 HA ASP 21 25.725 -4.938 -8.481 162 1HB ASP 21 1HB ASP 21 27.351 -7.001 -10.095 163 2HB ASP 21 2HB ASP 21 27.175 -5.271 -10.377 164 H GLU 22 H GLU 22 25.499 -8.519 -9.065 165 HA GLU 22 HA GLU 22 23.364 -8.436 -10.859 166 1HB GLU 22 1HB GLU 22 23.684 -10.510 -8.624 167 2HB GLU 22 2HB GLU 22 22.870 -10.784 -10.140 168 1HG GLU 22 1HG GLU 22 24.971 -11.868 -10.425 169 2HG GLU 22 2HG GLU 22 25.240 -10.337 -11.223 170 H GLU 23 H GLU 23 23.411 -7.723 -7.653 171 HA GLU 23 HA GLU 23 20.461 -8.034 -7.209 172 1HB GLU 23 1HB GLU 23 22.699 -7.000 -5.202 173 2HB GLU 23 2HB GLU 23 21.008 -7.137 -4.848 174 1HG GLU 23 1HG GLU 23 22.489 -9.519 -5.968 175 2HG GLU 23 2HG GLU 23 22.592 -9.148 -4.238 176 H MET 24 H MET 24 22.877 -5.542 -7.207 177 HA MET 24 HA MET 24 21.317 -3.186 -7.175 178 1HB MET 24 1HB MET 24 23.929 -3.979 -8.539 179 2HB MET 24 2HB MET 24 23.496 -2.324 -8.507 180 1HG MET 24 1HG MET 24 23.348 -2.507 -5.962 181 2HG MET 24 2HG MET 24 24.016 -4.097 -6.122 182 1HE MET 24 1HE MET 24 24.175 -0.594 -7.005 183 2HE MET 24 2HE MET 24 25.851 -0.116 -7.050 184 3HE MET 24 3HE MET 24 25.048 -0.355 -5.489 185 H LEU 25 H LEU 25 22.486 -4.994 -9.974 186 HA LEU 25 HA LEU 25 21.311 -3.880 -12.113 187 1HB LEU 25 1HB LEU 25 21.977 -6.685 -11.193 188 2HB LEU 25 2HB LEU 25 21.266 -6.551 -12.732 189 HG LEU 25 HG LEU 25 23.876 -5.301 -11.835 190 1HD1 LEU 25 1HD1 LEU 25 24.855 -6.682 -13.638 191 2HD1 LEU 25 2HD1 LEU 25 23.293 -7.435 -13.914 192 3HD1 LEU 25 3HD1 LEU 25 24.132 -7.656 -12.402 193 1HD2 LEU 25 1HD2 LEU 25 24.099 -4.500 -14.205 194 2HD2 LEU 25 2HD2 LEU 25 22.712 -3.760 -13.466 195 3HD2 LEU 25 3HD2 LEU 25 22.503 -5.113 -14.558 196 H PHE 26 H PHE 26 19.844 -6.145 -9.934 197 HA PHE 26 HA PHE 26 17.233 -6.147 -11.281 198 1HB PHE 26 1HB PHE 26 17.978 -8.027 -9.871 199 2HB PHE 26 2HB PHE 26 18.029 -7.013 -8.440 200 HD1 PHE 26 HD1 PHE 26 15.786 -5.879 -7.691 201 HD2 PHE 26 HD2 PHE 26 15.987 -9.036 -10.564 202 HE1 PHE 26 HE1 PHE 26 13.401 -6.323 -7.389 203 HE2 PHE 26 HE2 PHE 26 13.587 -9.461 -10.232 204 HZ PHE 26 HZ PHE 26 12.329 -8.072 -8.629 205 H ILE 27 H ILE 27 18.125 -4.911 -8.078 206 HA ILE 27 HA ILE 27 15.929 -3.308 -7.514 207 HB ILE 27 HB ILE 27 18.866 -3.085 -6.994 208 1HG1 ILE 27 1HG1 ILE 27 17.502 -4.676 -5.635 209 2HG1 ILE 27 2HG1 ILE 27 18.188 -3.404 -4.661 210 1HG2 ILE 27 1HG2 ILE 27 18.279 -0.692 -7.162 211 2HG2 ILE 27 2HG2 ILE 27 18.584 -1.148 -5.496 212 3HG2 ILE 27 3HG2 ILE 27 16.946 -0.940 -6.042 213 1HD1 ILE 27 1HD1 ILE 27 15.252 -3.476 -5.598 214 2HD1 ILE 27 2HD1 ILE 27 15.992 -2.219 -4.624 215 3HD1 ILE 27 3HD1 ILE 27 15.870 -3.855 -4.015 216 H TYR 28 H TYR 28 18.669 -2.212 -9.493 217 HA TYR 28 HA TYR 28 17.477 0.326 -10.124 218 1HB TYR 28 1HB TYR 28 19.898 -0.105 -10.136 219 2HB TYR 28 2HB TYR 28 19.715 -1.289 -11.414 220 HD1 TYR 28 HD1 TYR 28 19.374 -0.618 -13.696 221 HD2 TYR 28 HD2 TYR 28 19.472 2.321 -10.619 222 HE1 TYR 28 HE1 TYR 28 19.514 1.184 -15.375 223 HE2 TYR 28 HE2 TYR 28 19.635 4.074 -12.324 224 HH TYR 28 HH TYR 28 20.174 4.380 -14.657 225 H SER 29 H SER 29 17.818 -2.654 -12.234 226 HA SER 29 HA SER 29 16.362 -1.704 -14.454 227 1HB SER 29 1HB SER 29 15.644 -4.134 -14.779 228 2HB SER 29 2HB SER 29 17.357 -3.980 -14.419 229 HG SER 29 HG SER 29 16.950 -4.398 -12.315 230 H HIS 30 H HIS 30 15.145 -3.263 -11.615 231 HA HIS 30 HA HIS 30 12.353 -3.012 -12.242 232 1HB HIS 30 1HB HIS 30 13.995 -3.629 -9.772 233 2HB HIS 30 2HB HIS 30 12.285 -3.277 -9.566 234 HD1 HIS 30 HD1 HIS 30 10.834 -5.267 -9.984 235 HD2 HIS 30 HD2 HIS 30 14.409 -5.715 -11.918 236 HE1 HIS 30 HE1 HIS 30 10.754 -7.479 -11.065 237 H TYR 31 H TYR 31 14.332 -0.937 -9.945 238 HA TYR 31 HA TYR 31 12.480 0.932 -9.319 239 1HB TYR 31 1HB TYR 31 14.838 0.828 -8.551 240 2HB TYR 31 2HB TYR 31 15.373 1.473 -10.076 241 HD1 TYR 31 HD1 TYR 31 15.816 3.759 -10.043 242 HD2 TYR 31 HD2 TYR 31 12.752 2.314 -7.463 243 HE1 TYR 31 HE1 TYR 31 15.475 6.026 -9.160 244 HE2 TYR 31 HE2 TYR 31 12.412 4.589 -6.612 245 HH TYR 31 HH TYR 31 13.159 6.753 -6.611 246 H LYS 32 H LYS 32 14.499 0.989 -12.220 247 HA LYS 32 HA LYS 32 13.225 3.409 -13.274 248 1HB LYS 32 1HB LYS 32 15.075 1.340 -14.474 249 2HB LYS 32 2HB LYS 32 14.555 2.787 -15.319 250 1HG LYS 32 1HG LYS 32 15.271 3.866 -12.841 251 2HG LYS 32 2HG LYS 32 16.204 2.398 -12.781 252 1HD LYS 32 1HD LYS 32 17.622 4.055 -13.527 253 2HD LYS 32 2HD LYS 32 17.280 3.105 -14.985 254 1HE LYS 32 1HE LYS 32 15.660 4.916 -15.598 255 2HE LYS 32 2HE LYS 32 16.110 5.780 -14.129 256 1HZ LYS 32 1HZ LYS 32 17.549 5.819 -16.575 257 2HZ LYS 32 2HZ LYS 32 18.493 4.985 -15.427 258 3HZ LYS 32 3HZ LYS 32 18.103 6.459 -15.071 259 H GLN 33 H GLN 33 12.935 -0.005 -14.302 260 HA GLN 33 HA GLN 33 10.876 0.372 -16.274 261 1HB GLN 33 1HB GLN 33 10.917 -1.905 -16.349 262 2HB GLN 33 2HB GLN 33 12.257 -1.780 -15.253 263 1HG GLN 33 1HG GLN 33 10.971 -3.266 -14.087 264 2HG GLN 33 2HG GLN 33 10.316 -1.803 -13.422 265 1HE2 GLN 33 1HE2 GLN 33 9.449 -4.702 -14.691 266 2HE2 GLN 33 2HE2 GLN 33 7.881 -4.313 -15.231 267 H ALA 34 H ALA 34 10.608 0.090 -12.812 268 HA ALA 34 HA ALA 34 7.745 0.190 -12.760 269 1HB ALA 34 1HB ALA 34 9.144 -0.917 -11.075 270 2HB ALA 34 2HB ALA 34 8.167 0.325 -10.318 271 3HB ALA 34 3HB ALA 34 9.863 0.615 -10.648 272 H THR 35 H THR 35 10.164 2.814 -11.723 273 HA THR 35 HA THR 35 7.991 4.733 -11.574 274 HB THR 35 HB THR 35 9.901 6.382 -11.106 275 HG1 THR 35 HG1 THR 35 11.559 4.156 -11.385 276 1HG2 THR 35 1HG2 THR 35 10.974 5.309 -9.229 277 2HG2 THR 35 2HG2 THR 35 10.496 3.699 -9.744 278 3HG2 THR 35 3HG2 THR 35 9.287 4.847 -9.170 279 H VAL 36 H VAL 36 10.719 4.310 -13.850 280 HA VAL 36 HA VAL 36 9.655 6.522 -15.519 281 HB VAL 36 HB VAL 36 12.181 4.689 -15.900 282 1HG1 VAL 36 1HG1 VAL 36 11.308 7.169 -17.431 283 2HG1 VAL 36 2HG1 VAL 36 11.397 5.562 -18.122 284 3HG1 VAL 36 3HG1 VAL 36 12.851 6.375 -17.595 285 1HG2 VAL 36 1HG2 VAL 36 12.258 6.235 -13.949 286 2HG2 VAL 36 2HG2 VAL 36 11.857 7.586 -15.000 287 3HG2 VAL 36 3HG2 VAL 36 13.379 6.739 -15.197 288 H GLY 37 H GLY 37 10.418 3.210 -16.115 289 1HA GLY 37 1HA GLY 37 8.725 1.615 -17.118 290 2HA GLY 37 2HA GLY 37 8.169 2.958 -18.129 291 H ASP 38 H ASP 38 8.815 2.844 -20.053 292 HA ASP 38 HA ASP 38 10.456 1.080 -21.326 293 1HB ASP 38 1HB ASP 38 10.145 3.809 -22.355 294 2HB ASP 38 2HB ASP 38 9.854 2.307 -23.219 295 H ILE 39 H ILE 39 12.348 1.691 -22.615 296 HA ILE 39 HA ILE 39 14.241 3.265 -20.868 297 HB ILE 39 HB ILE 39 14.500 0.867 -21.046 298 1HG1 ILE 39 1HG1 ILE 39 16.775 2.100 -22.512 299 2HG1 ILE 39 2HG1 ILE 39 16.363 2.756 -20.956 300 1HG2 ILE 39 1HG2 ILE 39 13.699 0.475 -23.376 301 2HG2 ILE 39 2HG2 ILE 39 15.298 -0.189 -23.142 302 3HG2 ILE 39 3HG2 ILE 39 15.096 1.319 -24.007 303 1HD1 ILE 39 1HD1 ILE 39 16.898 -0.199 -21.501 304 2HD1 ILE 39 2HD1 ILE 39 16.393 0.455 -19.956 305 3HD1 ILE 39 3HD1 ILE 39 17.952 0.870 -20.604 306 H ASN 40 H ASN 40 13.435 4.957 -21.650 307 HA ASN 40 HA ASN 40 13.816 5.954 -24.405 308 1HB ASN 40 1HB ASN 40 12.616 7.388 -21.968 309 2HB ASN 40 2HB ASN 40 12.435 7.849 -23.647 310 1HD2 ASN 40 1HD2 ASN 40 10.584 6.623 -21.295 311 2HD2 ASN 40 2HD2 ASN 40 9.660 5.517 -22.205 312 H THR 41 H THR 41 15.890 5.218 -23.196 313 HA THR 41 HA THR 41 17.612 7.675 -22.872 314 HB THR 41 HB THR 41 19.099 6.397 -21.185 315 HG1 THR 41 HG1 THR 41 17.021 4.638 -20.896 316 1HG2 THR 41 1HG2 THR 41 16.171 6.207 -20.237 317 2HG2 THR 41 2HG2 THR 41 17.084 7.697 -20.158 318 3HG2 THR 41 3HG2 THR 41 17.622 6.298 -19.242 319 H GLU 42 H GLU 42 19.978 6.992 -23.173 320 HA GLU 42 HA GLU 42 20.123 5.231 -25.547 321 1HB GLU 42 1HB GLU 42 22.301 6.433 -25.885 322 2HB GLU 42 2HB GLU 42 20.992 7.571 -25.672 323 1HG GLU 42 1HG GLU 42 21.645 7.691 -23.135 324 2HG GLU 42 2HG GLU 42 23.023 6.700 -23.571 325 H ARG 43 H ARG 43 22.340 4.023 -25.610 326 HA ARG 43 HA ARG 43 22.471 2.411 -23.162 327 1HB ARG 43 1HB ARG 43 22.052 1.551 -25.506 328 2HB ARG 43 2HB ARG 43 23.727 1.904 -25.879 329 1HG ARG 43 1HG ARG 43 24.505 0.272 -24.227 330 2HG ARG 43 2HG ARG 43 22.863 0.082 -23.612 331 1HD ARG 43 1HD ARG 43 22.153 -0.747 -25.888 332 2HD ARG 43 2HD ARG 43 23.837 -0.683 -26.398 333 HE ARG 43 HE ARG 43 22.936 -2.304 -24.006 334 1HH1 ARG 43 1HH1 ARG 43 25.419 -1.886 -25.990 335 2HH1 ARG 43 2HH1 ARG 43 25.809 -3.585 -26.149 336 1HH2 ARG 43 1HH2 ARG 43 22.875 -4.359 -24.369 337 2HH2 ARG 43 2HH2 ARG 43 24.237 -5.078 -25.135 338 HA PRO 44 HA PRO 44 26.263 4.161 -21.688 339 1HB PRO 44 1HB PRO 44 26.904 1.245 -20.918 340 2HB PRO 44 2HB PRO 44 27.086 2.694 -19.937 341 1HG PRO 44 1HG PRO 44 24.853 1.368 -19.485 342 2HG PRO 44 2HG PRO 44 24.635 3.070 -19.886 343 1HD PRO 44 1HD PRO 44 24.506 0.742 -21.851 344 2HD PRO 44 2HD PRO 44 23.238 1.898 -21.470 345 H GLY 45 H GLY 45 26.561 1.533 -23.772 346 1HA GLY 45 1HA GLY 45 28.100 0.965 -25.520 347 2HA GLY 45 2HA GLY 45 28.481 2.674 -25.560 348 H MET 46 H MET 46 29.986 3.345 -23.729 349 HA MET 46 HA MET 46 32.512 2.053 -24.058 350 1HB MET 46 1HB MET 46 31.521 3.974 -21.910 351 2HB MET 46 2HB MET 46 33.212 3.529 -22.096 352 1HG MET 46 1HG MET 46 31.443 5.013 -24.067 353 2HG MET 46 2HG MET 46 32.775 5.656 -23.158 354 1HE MET 46 1HE MET 46 32.816 4.113 -27.287 355 2HE MET 46 2HE MET 46 31.747 5.229 -26.451 356 3HE MET 46 3HE MET 46 31.653 3.478 -26.136 357 H LEU 47 H LEU 47 30.289 1.910 -21.485 358 HA LEU 47 HA LEU 47 31.858 -0.159 -20.007 359 1HB LEU 47 1HB LEU 47 29.256 1.244 -19.290 360 2HB LEU 47 2HB LEU 47 30.031 0.072 -18.250 361 HG LEU 47 HG LEU 47 30.599 2.322 -17.420 362 1HD1 LEU 47 1HD1 LEU 47 33.019 1.202 -18.894 363 2HD1 LEU 47 2HD1 LEU 47 32.452 0.640 -17.334 364 3HD1 LEU 47 3HD1 LEU 47 33.054 2.278 -17.516 365 1HD2 LEU 47 1HD2 LEU 47 31.773 4.000 -18.754 366 2HD2 LEU 47 2HD2 LEU 47 30.270 3.601 -19.559 367 3HD2 LEU 47 3HD2 LEU 47 31.797 2.936 -20.129 368 H ASP 48 H ASP 48 31.743 -2.136 -20.462 369 HA ASP 48 HA ASP 48 29.432 -3.460 -21.773 370 1HB ASP 48 1HB ASP 48 31.206 -5.244 -22.169 371 2HB ASP 48 2HB ASP 48 31.838 -3.664 -22.641 372 H PHE 49 H PHE 49 31.297 -3.351 -18.947 373 HA PHE 49 HA PHE 49 30.158 -5.590 -17.501 374 1HB PHE 49 1HB PHE 49 31.829 -5.003 -15.904 375 2HB PHE 49 2HB PHE 49 32.451 -4.100 -17.263 376 HD1 PHE 49 HD1 PHE 49 32.044 -3.728 -13.914 377 HD2 PHE 49 HD2 PHE 49 30.844 -1.685 -17.438 378 HE1 PHE 49 HE1 PHE 49 31.838 -1.696 -12.639 379 HE2 PHE 49 HE2 PHE 49 30.599 0.390 -16.115 380 HZ PHE 49 HZ PHE 49 31.079 0.357 -13.698 381 H LYS 50 H LYS 50 29.824 -4.071 -15.093 382 HA LYS 50 HA LYS 50 27.221 -3.867 -14.594 383 1HB LYS 50 1HB LYS 50 29.378 -2.002 -13.702 384 2HB LYS 50 2HB LYS 50 27.959 -2.177 -12.802 385 1HG LYS 50 1HG LYS 50 28.515 -4.782 -12.725 386 2HG LYS 50 2HG LYS 50 30.084 -4.328 -13.309 387 1HD LYS 50 1HD LYS 50 30.084 -2.645 -11.259 388 2HD LYS 50 2HD LYS 50 28.784 -3.671 -10.663 389 1HE LYS 50 1HE LYS 50 30.266 -5.665 -11.055 390 2HE LYS 50 2HE LYS 50 31.588 -4.559 -11.424 391 1HZ LYS 50 1HZ LYS 50 31.866 -4.136 -9.194 392 2HZ LYS 50 2HZ LYS 50 30.721 -5.386 -8.924 393 3HZ LYS 50 3HZ LYS 50 30.160 -3.872 -9.000 394 H GLY 51 H GLY 51 28.859 -1.520 -16.424 395 1HA GLY 51 1HA GLY 51 26.892 0.604 -16.373 396 2HA GLY 51 2HA GLY 51 28.157 0.470 -17.578 397 H LYS 52 H LYS 52 27.506 -1.589 -19.358 398 HA LYS 52 HA LYS 52 24.870 -0.759 -20.313 399 1HB LYS 52 1HB LYS 52 25.882 -1.696 -22.127 400 2HB LYS 52 2HB LYS 52 27.042 -2.562 -21.115 401 1HG LYS 52 1HG LYS 52 24.249 -3.343 -21.429 402 2HG LYS 52 2HG LYS 52 25.399 -3.853 -22.651 403 1HD LYS 52 1HD LYS 52 26.747 -4.297 -20.141 404 2HD LYS 52 2HD LYS 52 25.088 -4.823 -19.879 405 1HE LYS 52 1HE LYS 52 25.013 -6.570 -21.159 406 2HE LYS 52 2HE LYS 52 26.200 -5.976 -22.311 407 1HZ LYS 52 1HZ LYS 52 26.675 -7.645 -20.058 408 2HZ LYS 52 2HZ LYS 52 27.536 -6.164 -19.847 409 3HZ LYS 52 3HZ LYS 52 27.775 -7.067 -21.208 410 H ALA 53 H ALA 53 26.119 -3.063 -18.474 411 HA ALA 53 HA ALA 53 24.091 -4.996 -18.072 412 1HB ALA 53 1HB ALA 53 26.272 -5.093 -16.836 413 2HB ALA 53 2HB ALA 53 24.920 -5.425 -15.770 414 3HB ALA 53 3HB ALA 53 25.659 -3.841 -15.768 415 H LYS 54 H LYS 54 24.310 -2.098 -15.850 416 HA LYS 54 HA LYS 54 21.614 -2.349 -14.979 417 1HB LYS 54 1HB LYS 54 21.845 0.070 -14.292 418 2HB LYS 54 2HB LYS 54 23.197 -0.946 -13.786 419 1HG LYS 54 1HG LYS 54 24.358 -0.247 -15.918 420 2HG LYS 54 2HG LYS 54 23.082 0.909 -16.201 421 1HD LYS 54 1HD LYS 54 24.405 0.882 -13.514 422 2HD LYS 54 2HD LYS 54 25.399 1.401 -14.845 423 1HE LYS 54 1HE LYS 54 24.433 3.441 -14.034 424 2HE LYS 54 2HE LYS 54 23.499 3.059 -15.461 425 1HZ LYS 54 1HZ LYS 54 22.540 3.470 -12.932 426 2HZ LYS 54 2HZ LYS 54 22.259 1.773 -13.216 427 3HZ LYS 54 3HZ LYS 54 21.685 3.112 -14.147 428 H TRP 55 H TRP 55 22.272 -1.485 -18.359 429 HA TRP 55 HA TRP 55 19.872 0.177 -18.525 430 1HB TRP 55 1HB TRP 55 22.158 0.842 -19.520 431 2HB TRP 55 2HB TRP 55 22.006 -0.489 -20.631 432 HD1 TRP 55 HD1 TRP 55 20.466 2.926 -19.797 433 HE1 TRP 55 HE1 TRP 55 19.059 3.608 -21.780 434 HE3 TRP 55 HE3 TRP 55 20.648 -1.273 -22.623 435 HZ2 TRP 55 HZ2 TRP 55 18.125 2.665 -24.223 436 HZ3 TRP 55 HZ3 TRP 55 19.451 -1.367 -24.799 437 HH2 TRP 55 HH2 TRP 55 18.175 0.616 -25.603 438 H ASP 56 H ASP 56 21.626 -2.439 -19.733 439 HA ASP 56 HA ASP 56 19.803 -3.685 -21.577 440 1HB ASP 56 1HB ASP 56 22.499 -3.985 -20.395 441 2HB ASP 56 2HB ASP 56 21.924 -5.554 -20.518 442 H ALA 57 H ALA 57 20.716 -4.374 -18.215 443 HA ALA 57 HA ALA 57 18.826 -6.247 -17.492 444 1HB ALA 57 1HB ALA 57 20.790 -5.617 -16.122 445 2HB ALA 57 2HB ALA 57 19.331 -5.481 -15.146 446 3HB ALA 57 3HB ALA 57 20.081 -4.041 -15.809 447 H TRP 58 H TRP 58 18.272 -2.956 -18.151 448 HA TRP 58 HA TRP 58 15.666 -2.832 -16.660 449 1HB TRP 58 1HB TRP 58 17.098 -0.837 -16.410 450 2HB TRP 58 2HB TRP 58 17.252 -0.673 -18.140 451 HD1 TRP 58 HD1 TRP 58 13.711 -1.515 -16.911 452 HE1 TRP 58 HE1 TRP 58 12.337 0.731 -17.224 453 HE3 TRP 58 HE3 TRP 58 17.303 1.821 -17.873 454 HZ2 TRP 58 HZ2 TRP 58 12.593 3.317 -17.712 455 HZ3 TRP 58 HZ3 TRP 58 16.721 4.283 -18.200 456 HH2 TRP 58 HH2 TRP 58 14.368 4.994 -18.140 457 H ASN 59 H ASN 59 16.979 -2.695 -19.806 458 HA ASN 59 HA ASN 59 14.635 -2.336 -21.446 459 1HB ASN 59 1HB ASN 59 17.138 -2.293 -22.238 460 2HB ASN 59 2HB ASN 59 17.088 -4.039 -22.194 461 1HD2 ASN 59 1HD2 ASN 59 17.070 -4.400 -24.542 462 2HD2 ASN 59 2HD2 ASN 59 15.834 -3.780 -25.537 463 H GLU 60 H GLU 60 16.324 -5.025 -20.053 464 HA GLU 60 HA GLU 60 14.781 -7.231 -20.757 465 1HB GLU 60 1HB GLU 60 16.128 -6.612 -18.099 466 2HB GLU 60 2HB GLU 60 15.367 -8.157 -18.389 467 1HG GLU 60 1HG GLU 60 16.896 -8.460 -20.412 468 2HG GLU 60 2HG GLU 60 17.743 -7.003 -19.947 469 H LEU 61 H LEU 61 13.592 -4.679 -18.957 470 HA LEU 61 HA LEU 61 11.112 -6.079 -18.058 471 1HB LEU 61 1HB LEU 61 12.332 -3.618 -16.764 472 2HB LEU 61 2HB LEU 61 11.044 -4.627 -16.108 473 HG LEU 61 HG LEU 61 13.981 -5.357 -16.470 474 1HD1 LEU 61 1HD1 LEU 61 13.407 -3.854 -14.566 475 2HD1 LEU 61 2HD1 LEU 61 13.947 -5.440 -14.030 476 3HD1 LEU 61 3HD1 LEU 61 12.237 -5.039 -14.000 477 1HD2 LEU 61 1HD2 LEU 61 11.680 -7.035 -15.375 478 2HD2 LEU 61 2HD2 LEU 61 13.391 -7.458 -15.371 479 3HD2 LEU 61 3HD2 LEU 61 12.543 -7.273 -16.887 480 H LYS 62 H LYS 62 11.508 -4.765 -20.572 481 HA LYS 62 HA LYS 62 9.821 -2.235 -20.441 482 1HB LYS 62 1HB LYS 62 12.182 -3.097 -21.811 483 2HB LYS 62 2HB LYS 62 10.945 -3.303 -23.001 484 1HG LYS 62 1HG LYS 62 11.413 -1.075 -23.342 485 2HG LYS 62 2HG LYS 62 10.257 -0.821 -22.062 486 1HD LYS 62 1HD LYS 62 13.291 -1.044 -21.898 487 2HD LYS 62 2HD LYS 62 12.367 0.289 -21.338 488 1HE LYS 62 1HE LYS 62 12.423 -2.361 -19.948 489 2HE LYS 62 2HE LYS 62 13.220 -0.892 -19.460 490 1HZ LYS 62 1HZ LYS 62 10.614 -0.135 -19.938 491 2HZ LYS 62 2HZ LYS 62 11.346 -0.255 -18.493 492 3HZ LYS 62 3HZ LYS 62 10.467 -1.584 -19.012 493 H GLY 63 H GLY 63 7.897 -2.212 -21.742 494 1HA GLY 63 1HA GLY 63 5.813 -3.103 -22.457 495 2HA GLY 63 2HA GLY 63 6.660 -4.593 -22.806 496 H THR 64 H THR 64 7.247 -4.035 -19.634 497 HA THR 64 HA THR 64 5.092 -5.915 -18.755 498 HB THR 64 HB THR 64 7.809 -5.176 -17.513 499 HG1 THR 64 HG1 THR 64 7.507 -6.574 -19.323 500 1HG2 THR 64 1HG2 THR 64 5.790 -7.286 -16.565 501 2HG2 THR 64 2HG2 THR 64 6.104 -5.843 -15.597 502 3HG2 THR 64 3HG2 THR 64 7.365 -7.005 -15.896 503 H SER 65 H SER 65 4.355 -5.682 -16.335 504 HA SER 65 HA SER 65 3.133 -3.083 -16.139 505 1HB SER 65 1HB SER 65 2.757 -5.642 -14.493 506 2HB SER 65 2HB SER 65 1.726 -4.212 -14.505 507 HG SER 65 HG SER 65 0.777 -5.253 -16.168 508 H LYS 66 H LYS 66 4.138 -1.745 -15.232 509 HA LYS 66 HA LYS 66 6.414 -1.496 -13.650 510 1HB LYS 66 1HB LYS 66 3.865 0.146 -13.450 511 2HB LYS 66 2HB LYS 66 5.223 0.533 -12.415 512 1HG LYS 66 1HG LYS 66 5.670 1.892 -14.182 513 2HG LYS 66 2HG LYS 66 6.642 0.500 -14.534 514 1HD LYS 66 1HD LYS 66 5.049 -0.388 -16.150 515 2HD LYS 66 2HD LYS 66 3.930 0.938 -15.845 516 1HE LYS 66 1HE LYS 66 6.753 1.037 -16.956 517 2HE LYS 66 2HE LYS 66 5.286 1.364 -17.864 518 1HZ LYS 66 1HZ LYS 66 6.819 3.223 -16.390 519 2HZ LYS 66 2HZ LYS 66 5.370 3.017 -15.542 520 3HZ LYS 66 3HZ LYS 66 5.343 3.507 -17.143 521 H GLU 67 H GLU 67 3.331 -1.795 -12.272 522 HA GLU 67 HA GLU 67 3.830 -1.951 -9.572 523 1HB GLU 67 1HB GLU 67 1.747 -3.208 -11.424 524 2HB GLU 67 2HB GLU 67 1.579 -3.217 -9.708 525 1HG GLU 67 1HG GLU 67 2.129 -0.506 -10.053 526 2HG GLU 67 2HG GLU 67 1.543 -0.848 -11.658 527 H ASP 68 H ASP 68 3.600 -5.046 -11.684 528 HA ASP 68 HA ASP 68 4.362 -6.673 -9.632 529 1HB ASP 68 1HB ASP 68 4.635 -6.527 -12.649 530 2HB ASP 68 2HB ASP 68 5.138 -7.991 -11.879 531 H ALA 69 H ALA 69 6.382 -4.922 -11.782 532 HA ALA 69 HA ALA 69 8.908 -5.887 -10.853 533 1HB ALA 69 1HB ALA 69 8.644 -4.377 -12.753 534 2HB ALA 69 2HB ALA 69 9.866 -3.701 -11.680 535 3HB ALA 69 3HB ALA 69 8.262 -3.005 -11.744 536 H MET 70 H MET 70 6.889 -3.283 -9.655 537 HA MET 70 HA MET 70 8.511 -2.509 -7.383 538 1HB MET 70 1HB MET 70 5.392 -2.543 -7.535 539 2HB MET 70 2HB MET 70 6.297 -1.573 -6.435 540 1HG MET 70 1HG MET 70 7.168 -0.229 -8.321 541 2HG MET 70 2HG MET 70 6.396 -1.283 -9.446 542 1HE MET 70 1HE MET 70 5.638 2.426 -7.936 543 2HE MET 70 2HE MET 70 5.017 2.327 -9.594 544 3HE MET 70 3HE MET 70 6.583 1.667 -9.226 545 H LYS 71 H LYS 71 5.790 -4.722 -7.334 546 HA LYS 71 HA LYS 71 5.946 -5.690 -4.762 547 1HB LYS 71 1HB LYS 71 5.432 -7.063 -7.398 548 2HB LYS 71 2HB LYS 71 5.618 -8.104 -6.013 549 1HG LYS 71 1HG LYS 71 3.849 -5.707 -5.550 550 2HG LYS 71 2HG LYS 71 3.252 -6.853 -6.723 551 1HD LYS 71 1HD LYS 71 3.258 -8.686 -5.231 552 2HD LYS 71 2HD LYS 71 4.425 -7.967 -4.145 553 1HE LYS 71 1HE LYS 71 1.656 -6.807 -4.470 554 2HE LYS 71 2HE LYS 71 1.976 -8.113 -3.335 555 1HZ LYS 71 1HZ LYS 71 4.010 -6.138 -3.074 556 2HZ LYS 71 2HZ LYS 71 2.906 -6.600 -1.904 557 3HZ LYS 71 3HZ LYS 71 2.536 -5.362 -2.987 558 H ALA 72 H ALA 72 7.905 -7.030 -7.316 559 HA ALA 72 HA ALA 72 9.621 -8.541 -5.465 560 1HB ALA 72 1HB ALA 72 10.121 -7.665 -8.398 561 2HB ALA 72 2HB ALA 72 9.247 -9.108 -7.930 562 3HB ALA 72 3HB ALA 72 10.951 -8.983 -7.552 563 H TYR 73 H TYR 73 10.241 -5.410 -7.282 564 HA TYR 73 HA TYR 73 12.746 -4.775 -6.324 565 1HB TYR 73 1HB TYR 73 11.428 -3.274 -7.768 566 2HB TYR 73 2HB TYR 73 10.323 -2.952 -6.462 567 HD1 TYR 73 HD1 TYR 73 10.961 -1.387 -4.629 568 HD2 TYR 73 HD2 TYR 73 13.735 -2.344 -7.720 569 HE1 TYR 73 HE1 TYR 73 12.407 0.492 -3.945 570 HE2 TYR 73 HE2 TYR 73 15.144 -0.484 -7.007 571 HH TYR 73 HH TYR 73 15.333 1.442 -5.661 572 H ILE 74 H ILE 74 9.759 -4.253 -4.605 573 HA ILE 74 HA ILE 74 10.837 -3.220 -2.181 574 HB ILE 74 HB ILE 74 8.314 -4.779 -2.819 575 1HG1 ILE 74 1HG1 ILE 74 8.754 -1.864 -2.322 576 2HG1 ILE 74 2HG1 ILE 74 8.595 -2.580 -3.923 577 1HG2 ILE 74 1HG2 ILE 74 9.016 -4.845 -0.277 578 2HG2 ILE 74 2HG2 ILE 74 7.579 -3.893 -0.517 579 3HG2 ILE 74 3HG2 ILE 74 9.116 -3.085 -0.346 580 1HD1 ILE 74 1HD1 ILE 74 6.390 -3.534 -3.271 581 2HD1 ILE 74 2HD1 ILE 74 6.388 -1.778 -3.193 582 3HD1 ILE 74 3HD1 ILE 74 6.490 -2.708 -1.723 583 H ASP 75 H ASP 75 9.750 -6.538 -2.898 584 HA ASP 75 HA ASP 75 10.714 -7.698 -0.508 585 1HB ASP 75 1HB ASP 75 9.776 -8.459 -3.269 586 2HB ASP 75 2HB ASP 75 10.588 -9.709 -2.409 587 H LYS 76 H LYS 76 12.302 -6.774 -3.339 588 HA LYS 76 HA LYS 76 14.742 -8.337 -2.903 589 1HB LYS 76 1HB LYS 76 13.756 -7.332 -5.068 590 2HB LYS 76 2HB LYS 76 14.437 -5.797 -4.639 591 1HG LYS 76 1HG LYS 76 16.275 -6.639 -5.708 592 2HG LYS 76 2HG LYS 76 16.609 -7.393 -4.173 593 1HD LYS 76 1HD LYS 76 15.371 -9.477 -4.893 594 2HD LYS 76 2HD LYS 76 14.931 -8.696 -6.399 595 1HE LYS 76 1HE LYS 76 16.819 -10.073 -6.877 596 2HE LYS 76 2HE LYS 76 17.380 -8.412 -6.916 597 1HZ LYS 76 1HZ LYS 76 18.411 -10.423 -5.305 598 2HZ LYS 76 2HZ LYS 76 17.486 -9.550 -4.251 599 3HZ LYS 76 3HZ LYS 76 18.761 -8.867 -5.125 600 H VAL 77 H VAL 77 13.793 -4.924 -2.593 601 HA VAL 77 HA VAL 77 16.008 -4.025 -1.046 602 HB VAL 77 HB VAL 77 13.054 -3.224 -0.639 603 1HG1 VAL 77 1HG1 VAL 77 14.053 -1.135 0.300 604 2HG1 VAL 77 2HG1 VAL 77 15.666 -1.780 0.055 605 3HG1 VAL 77 3HG1 VAL 77 14.589 -2.509 1.241 606 1HG2 VAL 77 1HG2 VAL 77 13.653 -1.314 -2.153 607 2HG2 VAL 77 2HG2 VAL 77 13.875 -2.837 -2.974 608 3HG2 VAL 77 3HG2 VAL 77 15.259 -1.986 -2.338 609 H GLU 78 H GLU 78 12.875 -5.253 0.382 610 HA GLU 78 HA GLU 78 13.759 -5.515 2.955 611 1HB GLU 78 1HB GLU 78 11.613 -6.577 1.222 612 2HB GLU 78 2HB GLU 78 11.925 -7.607 2.575 613 1HG GLU 78 1HG GLU 78 11.784 -5.453 4.060 614 2HG GLU 78 2HG GLU 78 11.427 -4.519 2.622 615 H GLU 79 H GLU 79 14.430 -7.948 0.374 616 HA GLU 79 HA GLU 79 15.672 -9.787 2.324 617 1HB GLU 79 1HB GLU 79 15.509 -11.256 0.558 618 2HB GLU 79 2HB GLU 79 14.739 -9.968 -0.345 619 1HG GLU 79 1HG GLU 79 16.752 -9.085 -1.014 620 2HG GLU 79 2HG GLU 79 17.668 -10.233 0.033 621 H LEU 80 H LEU 80 16.777 -7.267 0.063 622 HA LEU 80 HA LEU 80 19.575 -7.585 0.333 623 1HB LEU 80 1HB LEU 80 17.785 -5.147 -0.065 624 2HB LEU 80 2HB LEU 80 19.505 -4.922 0.100 625 HG LEU 80 HG LEU 80 18.136 -6.630 -2.018 626 1HD1 LEU 80 1HD1 LEU 80 18.960 -4.811 -3.467 627 2HD1 LEU 80 2HD1 LEU 80 19.632 -3.972 -2.087 628 3HD1 LEU 80 3HD1 LEU 80 17.885 -4.121 -2.252 629 1HD2 LEU 80 1HD2 LEU 80 21.049 -5.809 -1.565 630 2HD2 LEU 80 2HD2 LEU 80 20.449 -6.693 -2.965 631 3HD2 LEU 80 3HD2 LEU 80 20.459 -7.448 -1.406 632 H LYS 81 H LYS 81 17.306 -5.658 2.181 633 HA LYS 81 HA LYS 81 18.895 -4.725 4.220 634 1HB LYS 81 1HB LYS 81 16.416 -4.318 3.819 635 2HB LYS 81 2HB LYS 81 16.024 -5.920 4.369 636 1HG LYS 81 1HG LYS 81 16.164 -5.362 6.602 637 2HG LYS 81 2HG LYS 81 17.605 -4.432 6.366 638 1HD LYS 81 1HD LYS 81 15.877 -2.866 7.074 639 2HD LYS 81 2HD LYS 81 16.181 -2.538 5.385 640 1HE LYS 81 1HE LYS 81 14.169 -3.937 4.817 641 2HE LYS 81 2HE LYS 81 13.853 -4.088 6.549 642 1HZ LYS 81 1HZ LYS 81 13.256 -1.834 4.862 643 2HZ LYS 81 2HZ LYS 81 14.359 -1.325 5.938 644 3HZ LYS 81 3HZ LYS 81 12.900 -1.988 6.488 645 H LYS 82 H LYS 82 17.233 -7.876 4.315 646 HA LYS 82 HA LYS 82 18.423 -9.013 6.515 647 1HB LYS 82 1HB LYS 82 17.863 -10.533 3.930 648 2HB LYS 82 2HB LYS 82 18.037 -11.251 5.515 649 1HG LYS 82 1HG LYS 82 15.941 -10.237 6.280 650 2HG LYS 82 2HG LYS 82 15.795 -9.313 4.793 651 1HD LYS 82 1HD LYS 82 15.995 -11.604 3.546 652 2HD LYS 82 2HD LYS 82 15.722 -12.366 5.094 653 1HE LYS 82 1HE LYS 82 13.485 -11.540 5.206 654 2HE LYS 82 2HE LYS 82 13.760 -10.296 3.993 655 1HZ LYS 82 1HZ LYS 82 12.825 -12.881 3.554 656 2HZ LYS 82 2HZ LYS 82 14.435 -12.948 3.016 657 3HZ LYS 82 3HZ LYS 82 13.392 -11.823 2.345 658 H LYS 83 H LYS 83 19.526 -9.241 3.327 659 HA LYS 83 HA LYS 83 21.878 -10.795 3.593 660 1HB LYS 83 1HB LYS 83 21.220 -8.597 1.606 661 2HB LYS 83 2HB LYS 83 22.667 -9.560 1.474 662 1HG LYS 83 1HG LYS 83 21.499 -11.557 1.000 663 2HG LYS 83 2HG LYS 83 19.994 -10.915 1.667 664 1HD LYS 83 1HD LYS 83 19.547 -9.538 -0.169 665 2HD LYS 83 2HD LYS 83 21.207 -9.404 -0.685 666 1HE LYS 83 1HE LYS 83 19.618 -10.755 -2.190 667 2HE LYS 83 2HE LYS 83 21.200 -11.434 -1.862 668 1HZ LYS 83 1HZ LYS 83 19.416 -12.243 0.164 669 2HZ LYS 83 2HZ LYS 83 20.121 -13.250 -1.026 670 3HZ LYS 83 3HZ LYS 83 18.622 -12.509 -1.293 671 H TYR 84 H TYR 84 21.606 -7.378 3.644 672 HA TYR 84 HA TYR 84 24.446 -7.192 4.580 673 1HB TYR 84 1HB TYR 84 22.370 -5.165 3.477 674 2HB TYR 84 2HB TYR 84 24.042 -4.731 3.891 675 HD1 TYR 84 HD1 TYR 84 25.898 -5.997 2.812 676 HD2 TYR 84 HD2 TYR 84 21.883 -6.329 1.336 677 HE1 TYR 84 HE1 TYR 84 26.703 -6.964 0.701 678 HE2 TYR 84 HE2 TYR 84 22.722 -7.291 -0.703 679 HH TYR 84 HH TYR 84 25.130 -8.677 -1.257 680 H GLY 85 H GLY 85 21.838 -5.038 5.329 681 1HA GLY 85 1HA GLY 85 20.457 -5.579 7.460 682 2HA GLY 85 2HA GLY 85 22.020 -5.878 8.205 683 H ILE 86 H ILE 86 19.829 -3.427 7.066 684 HA ILE 86 HA ILE 86 21.665 -1.198 7.482 685 HB ILE 86 HB ILE 86 19.981 -0.920 5.742 686 1HG1 ILE 86 1HG1 ILE 86 19.079 0.710 8.125 687 2HG1 ILE 86 2HG1 ILE 86 20.490 1.126 7.190 688 1HG2 ILE 86 1HG2 ILE 86 17.881 -1.407 7.885 689 2HG2 ILE 86 2HG2 ILE 86 18.286 -2.530 6.606 690 3HG2 ILE 86 3HG2 ILE 86 17.547 -0.997 6.208 691 1HD1 ILE 86 1HD1 ILE 86 18.547 2.493 6.430 692 2HD1 ILE 86 2HD1 ILE 86 17.581 1.060 6.170 693 3HD1 ILE 86 3HD1 ILE 86 18.968 1.380 5.136 694 AH2 COA 1 AH2 COA 1 17.308 1.626 -7.981 695 AH61 COA 1 AH61 COA 1 16.224 3.295 -4.035 696 AH62 COA 1 AH62 COA 1 16.915 4.894 -3.893 697 AH8 COA 1 AH8 COA 1 18.948 7.839 -7.302 698 AH1* COA 1 AH1* COA 1 18.868 5.296 -10.241 699 AH2* COA 1 AH2* COA 1 19.475 8.200 -9.412 700 AHO2 COA 1 AHO2 COA 1 18.498 7.398 -11.823 701 AH3* COA 1 AH3* COA 1 20.924 8.209 -11.339 702 AH4* COA 1 AH4* COA 1 22.166 5.918 -10.643 703 AH51 COA 1 AH51 COA 1 22.805 6.643 -8.366 704 AH52 COA 1 AH52 COA 1 22.900 8.054 -9.369 705 1H12 COA 1 1H12 COA 1 24.192 7.305 -4.258 706 2H12 COA 1 2H12 COA 1 25.442 8.050 -5.191 707 1H13 COA 1 1H13 COA 1 26.401 7.032 -7.237 708 2H13 COA 1 2H13 COA 1 24.767 6.987 -7.871 709 3H13 COA 1 3H13 COA 1 25.728 5.518 -7.848 710 1H14 COA 1 1H14 COA 1 23.354 4.907 -5.143 711 2H14 COA 1 2H14 COA 1 23.013 5.647 -6.687 712 3H14 COA 1 3H14 COA 1 24.122 4.289 -6.596 713 H10 COA 1 H10 COA 1 26.893 6.161 -4.889 714 HO1 COA 1 HO1 COA 1 24.578 5.702 -3.848 715 HN8 COA 1 HN8 COA 1 26.393 3.625 -3.934 716 1H7 COA 1 1H7 COA 1 26.570 1.211 -4.535 717 2H7 COA 1 2H7 COA 1 27.324 1.698 -6.058 718 1H6 COA 1 1H6 COA 1 29.038 0.876 -4.246 719 2H6 COA 1 2H6 COA 1 29.340 2.465 -4.899 720 HN4 COA 1 HN4 COA 1 26.773 1.834 -2.698 721 1H3 COA 1 1H3 COA 1 28.246 3.291 -0.503 722 2H3 COA 1 2H3 COA 1 26.970 2.102 -0.221 723 1H2 COA 1 1H2 COA 1 26.343 4.686 -0.183 724 2H2 COA 1 2H2 COA 1 26.408 4.565 -1.904 725 1H2 PLY 2 1H2 PLY 2 23.578 3.381 -3.658 726 2H2 PLY 2 2H2 PLY 2 24.692 2.177 -4.264 727 1H3 PLY 2 1H3 PLY 2 23.277 0.326 -3.833 728 2H3 PLY 2 2H3 PLY 2 22.046 1.308 -3.047 729 1H4 PLY 2 1H4 PLY 2 23.056 1.641 -5.879 730 2H4 PLY 2 2H4 PLY 2 21.855 2.741 -5.203 731 1H5 PLY 2 1H5 PLY 2 21.561 -0.046 -6.208 732 2H5 PLY 2 2H5 PLY 2 20.445 0.532 -4.991 733 1H6 PLY 2 1H6 PLY 2 19.480 1.065 -7.161 734 2H6 PLY 2 2H6 PLY 2 20.006 2.570 -6.453 735 1H7 PLY 2 1H7 PLY 2 20.479 2.370 -8.929 736 2H7 PLY 2 2H7 PLY 2 21.614 1.087 -8.597 737 1H8 PLY 2 1H8 PLY 2 21.784 3.933 -7.469 738 2H8 PLY 2 2H8 PLY 2 23.029 2.711 -7.363 739 1H9 PLY 2 1H9 PLY 2 23.540 4.393 -9.114 740 2H9 PLY 2 2H9 PLY 2 22.096 3.886 -9.937 741 1HA PLY 2 1HA PLY 2 22.871 1.754 -10.479 742 2HA PLY 2 2HA PLY 2 24.190 2.847 -10.848 743 1HB PLY 2 1HB PLY 2 24.064 1.181 -8.299 744 2HB PLY 2 2HB PLY 2 25.350 2.285 -8.756 745 1HC PLY 2 1HC PLY 2 25.847 -0.215 -9.255 746 2HC PLY 2 2HC PLY 2 25.985 0.838 -10.652 747 1HD PLY 2 1HD PLY 2 23.984 0.096 -11.601 748 2HD PLY 2 2HD PLY 2 23.313 -0.425 -10.065 749 1HE PLY 2 1HE PLY 2 23.773 -2.103 -11.706 750 2HE PLY 2 2HE PLY 2 24.512 -2.431 -10.162 751 1HF PLY 2 1HF PLY 2 26.801 -1.935 -11.063 752 2HF PLY 2 2HF PLY 2 26.093 -1.406 -12.596 753 1HG PLY 2 1HG PLY 2 25.047 -3.467 -12.867 754 2HG PLY 2 2HG PLY 2 25.580 -4.098 -11.311 755 3HG PLY 2 3HG PLY 2 26.736 -3.802 -12.591 Start of MODEL 18 1 1H SER 1 1H SER 1 5.118 5.534 -5.717 2 2H SER 1 2H SER 1 5.543 5.287 -7.324 3 H SER 1 H SER 1 5.040 6.805 -6.812 4 HA SER 1 HA SER 1 2.926 6.345 -7.359 5 1HB SER 1 1HB SER 1 4.116 3.671 -8.244 6 2HB SER 1 2HB SER 1 2.434 4.120 -8.560 7 HG SER 1 HG SER 1 3.204 5.303 -10.140 8 H GLN 2 H GLN 2 4.022 3.318 -5.825 9 HA GLN 2 HA GLN 2 1.552 3.222 -4.132 10 1HB GLN 2 1HB GLN 2 1.773 1.191 -5.614 11 2HB GLN 2 2HB GLN 2 3.476 1.061 -5.222 12 1HG GLN 2 1HG GLN 2 2.148 0.991 -2.636 13 2HG GLN 2 2HG GLN 2 1.164 0.012 -3.703 14 1HE2 GLN 2 1HE2 GLN 2 4.444 0.389 -2.480 15 2HE2 GLN 2 2HE2 GLN 2 4.828 -1.277 -2.660 16 H ALA 3 H ALA 3 2.635 4.739 -2.979 17 HA ALA 3 HA ALA 3 4.970 5.449 -1.967 18 1HB ALA 3 1HB ALA 3 2.886 6.191 -0.944 19 2HB ALA 3 2HB ALA 3 4.016 5.726 0.313 20 3HB ALA 3 3HB ALA 3 2.704 4.662 -0.105 21 H GLU 4 H GLU 4 3.884 2.258 -1.054 22 HA GLU 4 HA GLU 4 5.944 1.775 0.823 23 1HB GLU 4 1HB GLU 4 3.919 0.152 -0.738 24 2HB GLU 4 2HB GLU 4 5.144 -0.720 0.124 25 1HG GLU 4 1HG GLU 4 3.256 1.397 1.318 26 2HG GLU 4 2HG GLU 4 2.957 -0.335 1.424 27 H PHE 5 H PHE 5 5.802 1.460 -2.479 28 HA PHE 5 HA PHE 5 8.281 0.080 -2.985 29 1HB PHE 5 1HB PHE 5 6.566 0.141 -4.714 30 2HB PHE 5 2HB PHE 5 6.378 1.857 -4.363 31 HD1 PHE 5 HD1 PHE 5 8.890 -0.631 -5.628 32 HD2 PHE 5 HD2 PHE 5 7.617 3.415 -5.758 33 HE1 PHE 5 HE1 PHE 5 10.599 -0.145 -7.361 34 HE2 PHE 5 HE2 PHE 5 9.327 3.900 -7.465 35 HZ PHE 5 HZ PHE 5 10.803 2.142 -8.258 36 H ASP 6 H ASP 6 7.254 3.455 -3.314 37 HA ASP 6 HA ASP 6 9.682 4.661 -3.781 38 1HB ASP 6 1HB ASP 6 7.210 5.555 -2.192 39 2HB ASP 6 2HB ASP 6 8.285 6.636 -3.028 40 H LYS 7 H LYS 7 8.176 4.140 -0.757 41 HA LYS 7 HA LYS 7 10.220 5.153 0.954 42 1HB LYS 7 1HB LYS 7 7.943 4.682 1.755 43 2HB LYS 7 2HB LYS 7 8.099 2.977 1.371 44 1HG LYS 7 1HG LYS 7 9.950 2.771 3.064 45 2HG LYS 7 2HG LYS 7 9.806 4.492 3.382 46 1HD LYS 7 1HD LYS 7 7.627 4.263 4.360 47 2HD LYS 7 2HD LYS 7 7.350 2.682 3.663 48 1HE LYS 7 1HE LYS 7 7.783 2.437 6.048 49 2HE LYS 7 2HE LYS 7 9.115 1.731 5.139 50 1HZ LYS 7 1HZ LYS 7 9.688 4.453 5.510 51 2HZ LYS 7 2HZ LYS 7 10.522 3.106 6.078 52 3HZ LYS 7 3HZ LYS 7 9.313 3.810 7.053 53 H ALA 8 H ALA 8 9.598 1.891 -0.407 54 HA ALA 8 HA ALA 8 11.790 0.565 0.871 55 1HB ALA 8 1HB ALA 8 11.586 -1.092 -1.016 56 2HB ALA 8 2HB ALA 8 10.702 0.068 -1.982 57 3HB ALA 8 3HB ALA 8 9.992 -0.575 -0.518 58 H ALA 9 H ALA 9 11.591 2.372 -2.247 59 HA ALA 9 HA ALA 9 14.323 2.176 -2.894 60 1HB ALA 9 1HB ALA 9 12.582 3.119 -4.379 61 2HB ALA 9 2HB ALA 9 13.857 4.308 -4.250 62 3HB ALA 9 3HB ALA 9 12.384 4.516 -3.348 63 H GLU 10 H GLU 10 12.829 4.828 -0.993 64 HA GLU 10 HA GLU 10 15.151 6.307 -0.340 65 1HB GLU 10 1HB GLU 10 12.808 5.550 1.501 66 2HB GLU 10 2HB GLU 10 14.044 6.665 2.012 67 1HG GLU 10 1HG GLU 10 13.383 8.261 0.253 68 2HG GLU 10 2HG GLU 10 12.238 7.116 -0.412 69 H GLU 11 H GLU 11 13.787 3.633 1.387 70 HA GLU 11 HA GLU 11 15.840 3.258 3.247 71 1HB GLU 11 1HB GLU 11 13.830 1.321 2.084 72 2HB GLU 11 2HB GLU 11 14.795 1.001 3.520 73 1HG GLU 11 1HG GLU 11 13.743 3.704 3.831 74 2HG GLU 11 2HG GLU 11 12.451 2.711 3.311 75 H VAL 12 H VAL 12 15.525 1.546 0.026 76 HA VAL 12 HA VAL 12 17.821 -0.076 0.333 77 HB VAL 12 HB VAL 12 15.832 0.119 -1.533 78 1HG1 VAL 12 1HG1 VAL 12 16.769 2.129 -2.740 79 2HG1 VAL 12 2HG1 VAL 12 16.774 0.703 -3.733 80 3HG1 VAL 12 3HG1 VAL 12 18.271 1.251 -3.013 81 1HG2 VAL 12 1HG2 VAL 12 17.121 -1.499 -2.912 82 2HG2 VAL 12 2HG2 VAL 12 17.290 -1.857 -1.203 83 3HG2 VAL 12 3HG2 VAL 12 18.595 -1.056 -2.068 84 H LYS 13 H LYS 13 17.340 3.194 -1.095 85 HA LYS 13 HA LYS 13 20.006 3.601 -1.815 86 1HB LYS 13 1HB LYS 13 17.728 5.469 -1.019 87 2HB LYS 13 2HB LYS 13 19.263 6.045 -1.586 88 1HG LYS 13 1HG LYS 13 18.772 4.468 -3.704 89 2HG LYS 13 2HG LYS 13 17.134 4.550 -3.108 90 1HD LYS 13 1HD LYS 13 17.107 6.387 -4.598 91 2HD LYS 13 2HD LYS 13 17.488 7.168 -3.107 92 1HE LYS 13 1HE LYS 13 19.882 7.371 -3.675 93 2HE LYS 13 2HE LYS 13 19.688 6.393 -5.101 94 1HZ LYS 13 1HZ LYS 13 19.284 9.165 -4.894 95 2HZ LYS 13 2HZ LYS 13 17.793 8.494 -5.354 96 3HZ LYS 13 3HZ LYS 13 19.251 8.276 -6.225 97 H HIS 14 H HIS 14 18.423 3.681 1.175 98 HA HIS 14 HA HIS 14 20.703 5.039 2.528 99 1HB HIS 14 1HB HIS 14 18.085 3.894 3.579 100 2HB HIS 14 2HB HIS 14 19.362 4.379 4.683 101 HD1 HIS 14 HD1 HIS 14 16.837 5.748 2.503 102 HD2 HIS 14 HD2 HIS 14 20.001 7.216 4.596 103 HE1 HIS 14 HE1 HIS 14 16.562 8.238 2.547 104 H LEU 15 H LEU 15 20.014 1.766 1.650 105 HA LEU 15 HA LEU 15 21.066 0.248 3.741 106 1HB LEU 15 1HB LEU 15 21.344 -0.026 0.725 107 2HB LEU 15 2HB LEU 15 22.100 -1.205 1.770 108 HG LEU 15 HG LEU 15 19.115 -0.564 1.892 109 1HD1 LEU 15 1HD1 LEU 15 20.618 -2.853 0.508 110 2HD1 LEU 15 2HD1 LEU 15 19.803 -1.525 -0.311 111 3HD1 LEU 15 3HD1 LEU 15 18.864 -2.684 0.615 112 1HD2 LEU 15 1HD2 LEU 15 19.041 -2.784 3.002 113 2HD2 LEU 15 2HD2 LEU 15 20.065 -1.672 3.903 114 3HD2 LEU 15 3HD2 LEU 15 20.788 -2.922 2.895 115 H LYS 16 H LYS 16 22.816 0.615 4.863 116 HA LYS 16 HA LYS 16 24.962 2.331 4.276 117 1HB LYS 16 1HB LYS 16 26.068 1.273 6.209 118 2HB LYS 16 2HB LYS 16 24.371 1.526 6.543 119 1HG LYS 16 1HG LYS 16 23.984 -0.959 5.913 120 2HG LYS 16 2HG LYS 16 25.723 -1.135 5.789 121 1HD LYS 16 1HD LYS 16 26.015 -0.300 8.117 122 2HD LYS 16 2HD LYS 16 24.290 -0.145 8.314 123 1HE LYS 16 1HE LYS 16 25.736 -2.794 7.820 124 2HE LYS 16 2HE LYS 16 25.224 -2.200 9.395 125 1HZ LYS 16 1HZ LYS 16 23.667 -3.517 7.421 126 2HZ LYS 16 2HZ LYS 16 23.016 -2.001 7.656 127 3HZ LYS 16 3HZ LYS 16 23.104 -3.024 8.952 128 H THR 17 H THR 17 24.564 -0.751 3.529 129 HA THR 17 HA THR 17 27.314 -1.073 2.334 130 HB THR 17 HB THR 17 25.596 -3.271 3.398 131 HG1 THR 17 HG1 THR 17 27.709 -3.237 4.581 132 1HG2 THR 17 1HG2 THR 17 27.666 -4.641 3.020 133 2HG2 THR 17 2HG2 THR 17 28.487 -3.272 2.298 134 3HG2 THR 17 3HG2 THR 17 27.177 -4.062 1.440 135 H LYS 18 H LYS 18 27.483 -0.700 0.485 136 HA LYS 18 HA LYS 18 26.125 -0.767 -1.834 137 1HB LYS 18 1HB LYS 18 28.729 -1.672 -2.526 138 2HB LYS 18 2HB LYS 18 28.196 -0.018 -2.415 139 1HG LYS 18 1HG LYS 18 29.304 -1.481 0.001 140 2HG LYS 18 2HG LYS 18 30.337 -0.652 -1.139 141 1HD LYS 18 1HD LYS 18 29.590 1.491 -0.600 142 2HD LYS 18 2HD LYS 18 28.002 0.980 -0.094 143 1HE LYS 18 1HE LYS 18 29.155 -0.067 1.979 144 2HE LYS 18 2HE LYS 18 30.635 0.693 1.416 145 1HZ LYS 18 1HZ LYS 18 28.342 1.867 2.673 146 2HZ LYS 18 2HZ LYS 18 28.748 2.685 1.252 147 3HZ LYS 18 3HZ LYS 18 29.900 2.560 2.475 148 HA PRO 19 HA PRO 19 25.381 -5.252 -1.764 149 1HB PRO 19 1HB PRO 19 23.215 -4.530 -3.699 150 2HB PRO 19 2HB PRO 19 23.128 -5.482 -2.234 151 1HG PRO 19 1HG PRO 19 22.145 -2.986 -1.989 152 2HG PRO 19 2HG PRO 19 23.297 -3.522 -0.758 153 1HD PRO 19 1HD PRO 19 24.046 -2.041 -3.322 154 2HD PRO 19 2HD PRO 19 24.267 -1.480 -1.639 155 H ALA 20 H ALA 20 25.544 -6.871 -3.173 156 HA ALA 20 HA ALA 20 27.618 -6.742 -5.139 157 1HB ALA 20 1HB ALA 20 25.368 -8.815 -4.932 158 2HB ALA 20 2HB ALA 20 26.870 -8.848 -4.036 159 3HB ALA 20 3HB ALA 20 26.883 -9.058 -5.777 160 H ASP 21 H ASP 21 27.715 -6.302 -7.389 161 HA ASP 21 HA ASP 21 25.960 -4.604 -8.639 162 1HB ASP 21 1HB ASP 21 27.498 -6.888 -10.028 163 2HB ASP 21 2HB ASP 21 26.937 -5.351 -10.727 164 H GLU 22 H GLU 22 25.678 -8.209 -9.220 165 HA GLU 22 HA GLU 22 23.400 -8.095 -10.767 166 1HB GLU 22 1HB GLU 22 24.187 -10.094 -8.556 167 2HB GLU 22 2HB GLU 22 22.790 -10.397 -9.563 168 1HG GLU 22 1HG GLU 22 24.120 -10.533 -11.570 169 2HG GLU 22 2HG GLU 22 25.558 -9.927 -10.769 170 H GLU 23 H GLU 23 23.480 -7.813 -7.314 171 HA GLU 23 HA GLU 23 20.576 -7.694 -6.957 172 1HB GLU 23 1HB GLU 23 22.761 -6.562 -4.985 173 2HB GLU 23 2HB GLU 23 21.088 -6.969 -4.651 174 1HG GLU 23 1HG GLU 23 21.869 -9.375 -5.684 175 2HG GLU 23 2HG GLU 23 23.395 -8.816 -5.080 176 H MET 24 H MET 24 23.124 -5.282 -7.097 177 HA MET 24 HA MET 24 21.615 -2.894 -7.151 178 1HB MET 24 1HB MET 24 24.156 -3.656 -8.737 179 2HB MET 24 2HB MET 24 23.714 -2.030 -8.472 180 1HG MET 24 1HG MET 24 23.874 -2.393 -6.017 181 2HG MET 24 2HG MET 24 24.432 -4.002 -6.313 182 1HE MET 24 1HE MET 24 25.015 -0.544 -5.811 183 2HE MET 24 2HE MET 24 25.359 -0.226 -7.513 184 3HE MET 24 3HE MET 24 26.637 -0.134 -6.318 185 H LEU 25 H LEU 25 22.586 -4.856 -9.903 186 HA LEU 25 HA LEU 25 21.257 -3.732 -12.016 187 1HB LEU 25 1HB LEU 25 22.126 -6.517 -11.224 188 2HB LEU 25 2HB LEU 25 21.362 -6.333 -12.744 189 HG LEU 25 HG LEU 25 23.853 -4.915 -11.789 190 1HD1 LEU 25 1HD1 LEU 25 23.512 -7.110 -13.852 191 2HD1 LEU 25 2HD1 LEU 25 24.289 -7.229 -12.297 192 3HD1 LEU 25 3HD1 LEU 25 25.003 -6.244 -13.531 193 1HD2 LEU 25 1HD2 LEU 25 22.522 -3.536 -13.525 194 2HD2 LEU 25 2HD2 LEU 25 22.516 -4.939 -14.575 195 3HD2 LEU 25 3HD2 LEU 25 24.016 -4.116 -14.212 196 H PHE 26 H PHE 26 20.006 -6.216 -9.880 197 HA PHE 26 HA PHE 26 17.416 -6.391 -11.169 198 1HB PHE 26 1HB PHE 26 18.254 -8.060 -9.507 199 2HB PHE 26 2HB PHE 26 18.167 -6.863 -8.226 200 HD1 PHE 26 HD1 PHE 26 15.815 -5.678 -7.913 201 HD2 PHE 26 HD2 PHE 26 16.374 -9.380 -9.958 202 HE1 PHE 26 HE1 PHE 26 13.458 -6.210 -7.609 203 HE2 PHE 26 HE2 PHE 26 13.989 -9.901 -9.641 204 HZ PHE 26 HZ PHE 26 12.551 -8.285 -8.459 205 H ILE 27 H ILE 27 18.454 -4.739 -8.247 206 HA ILE 27 HA ILE 27 16.197 -3.174 -7.748 207 HB ILE 27 HB ILE 27 19.156 -2.926 -7.226 208 1HG1 ILE 27 1HG1 ILE 27 17.832 -4.702 -6.062 209 2HG1 ILE 27 2HG1 ILE 27 18.504 -3.509 -4.969 210 1HG2 ILE 27 1HG2 ILE 27 18.763 -1.151 -5.584 211 2HG2 ILE 27 2HG2 ILE 27 17.103 -1.029 -6.057 212 3HG2 ILE 27 3HG2 ILE 27 18.375 -0.590 -7.194 213 1HD1 ILE 27 1HD1 ILE 27 15.566 -3.535 -5.912 214 2HD1 ILE 27 2HD1 ILE 27 16.279 -2.399 -4.776 215 3HD1 ILE 27 3HD1 ILE 27 16.157 -4.086 -4.370 216 H TYR 28 H TYR 28 18.855 -2.283 -9.973 217 HA TYR 28 HA TYR 28 17.706 0.324 -10.531 218 1HB TYR 28 1HB TYR 28 20.188 -0.233 -10.815 219 2HB TYR 28 2HB TYR 28 19.795 -1.272 -12.158 220 HD1 TYR 28 HD1 TYR 28 19.432 -0.217 -14.411 221 HD2 TYR 28 HD2 TYR 28 19.557 2.207 -10.916 222 HE1 TYR 28 HE1 TYR 28 19.446 1.837 -15.801 223 HE2 TYR 28 HE2 TYR 28 19.566 4.211 -12.343 224 HH TYR 28 HH TYR 28 20.262 4.857 -14.548 225 H SER 29 H SER 29 17.891 -2.760 -12.494 226 HA SER 29 HA SER 29 16.265 -1.883 -14.630 227 1HB SER 29 1HB SER 29 15.642 -4.353 -14.862 228 2HB SER 29 2HB SER 29 17.343 -4.102 -14.604 229 HG SER 29 HG SER 29 17.072 -4.462 -12.436 230 H HIS 30 H HIS 30 15.237 -3.425 -11.685 231 HA HIS 30 HA HIS 30 12.409 -3.171 -12.163 232 1HB HIS 30 1HB HIS 30 14.106 -3.758 -9.708 233 2HB HIS 30 2HB HIS 30 12.358 -3.723 -9.639 234 HD1 HIS 30 HD1 HIS 30 14.942 -5.367 -11.905 235 HD2 HIS 30 HD2 HIS 30 11.264 -6.108 -10.253 236 HE1 HIS 30 HE1 HIS 30 14.290 -7.680 -12.590 237 H TYR 31 H TYR 31 14.477 -1.135 -9.799 238 HA TYR 31 HA TYR 31 12.418 0.612 -9.214 239 1HB TYR 31 1HB TYR 31 14.645 0.470 -8.179 240 2HB TYR 31 2HB TYR 31 15.389 1.118 -9.609 241 HD1 TYR 31 HD1 TYR 31 15.462 3.304 -9.978 242 HD2 TYR 31 HD2 TYR 31 12.933 1.920 -6.921 243 HE1 TYR 31 HE1 TYR 31 15.055 5.654 -9.272 244 HE2 TYR 31 HE2 TYR 31 12.517 4.261 -6.188 245 HH TYR 31 HH TYR 31 14.341 6.817 -7.006 246 H LYS 32 H LYS 32 14.576 0.567 -12.008 247 HA LYS 32 HA LYS 32 13.687 3.032 -13.198 248 1HB LYS 32 1HB LYS 32 14.887 0.435 -14.187 249 2HB LYS 32 2HB LYS 32 14.555 1.686 -15.351 250 1HG LYS 32 1HG LYS 32 16.280 1.965 -12.801 251 2HG LYS 32 2HG LYS 32 16.974 1.635 -14.358 252 1HD LYS 32 1HD LYS 32 15.415 4.147 -13.540 253 2HD LYS 32 2HD LYS 32 17.141 4.032 -13.775 254 1HE LYS 32 1HE LYS 32 16.454 3.098 -16.155 255 2HE LYS 32 2HE LYS 32 14.945 3.954 -15.827 256 1HZ LYS 32 1HZ LYS 32 16.005 5.876 -16.327 257 2HZ LYS 32 2HZ LYS 32 17.518 5.019 -16.466 258 3HZ LYS 32 3HZ LYS 32 17.070 5.596 -15.008 259 H GLN 33 H GLN 33 12.857 -0.302 -13.969 260 HA GLN 33 HA GLN 33 10.593 0.122 -15.563 261 1HB GLN 33 1HB GLN 33 11.727 -2.067 -14.086 262 2HB GLN 33 2HB GLN 33 10.052 -2.034 -13.624 263 1HG GLN 33 1HG GLN 33 11.140 -2.099 -16.403 264 2HG GLN 33 2HG GLN 33 10.315 -3.435 -15.614 265 1HE2 GLN 33 1HE2 GLN 33 9.617 -2.102 -18.056 266 2HE2 GLN 33 2HE2 GLN 33 8.030 -1.481 -17.868 267 H ALA 34 H ALA 34 10.338 -0.480 -12.131 268 HA ALA 34 HA ALA 34 7.715 0.171 -11.587 269 1HB ALA 34 1HB ALA 34 10.148 0.717 -9.855 270 2HB ALA 34 2HB ALA 34 9.272 -0.799 -9.935 271 3HB ALA 34 3HB ALA 34 8.479 0.628 -9.282 272 H THR 35 H THR 35 10.288 2.552 -12.093 273 HA THR 35 HA THR 35 8.357 4.737 -11.351 274 HB THR 35 HB THR 35 10.364 6.283 -11.413 275 HG1 THR 35 HG1 THR 35 11.900 3.972 -11.695 276 1HG2 THR 35 1HG2 THR 35 11.056 3.711 -9.871 277 2HG2 THR 35 2HG2 THR 35 10.037 4.992 -9.251 278 3HG2 THR 35 3HG2 THR 35 11.721 5.311 -9.616 279 H VAL 36 H VAL 36 10.566 3.903 -13.946 280 HA VAL 36 HA VAL 36 9.325 5.858 -15.797 281 HB VAL 36 HB VAL 36 11.837 4.003 -16.253 282 1HG1 VAL 36 1HG1 VAL 36 10.590 4.616 -18.366 283 2HG1 VAL 36 2HG1 VAL 36 12.138 5.413 -18.272 284 3HG1 VAL 36 3HG1 VAL 36 10.669 6.299 -17.902 285 1HG2 VAL 36 1HG2 VAL 36 11.608 6.986 -15.691 286 2HG2 VAL 36 2HG2 VAL 36 13.085 6.092 -15.961 287 3HG2 VAL 36 3HG2 VAL 36 12.135 5.796 -14.511 288 H GLY 37 H GLY 37 9.905 2.384 -15.758 289 1HA GLY 37 1HA GLY 37 8.125 0.787 -16.412 290 2HA GLY 37 2HA GLY 37 7.559 1.971 -17.599 291 H ASP 38 H ASP 38 8.066 1.447 -19.580 292 HA ASP 38 HA ASP 38 9.886 -0.550 -20.374 293 1HB ASP 38 1HB ASP 38 8.866 1.688 -22.179 294 2HB ASP 38 2HB ASP 38 8.907 -0.034 -22.536 295 H ILE 39 H ILE 39 11.445 0.325 -22.263 296 HA ILE 39 HA ILE 39 13.116 2.532 -21.039 297 HB ILE 39 HB ILE 39 13.993 0.121 -20.884 298 1HG1 ILE 39 1HG1 ILE 39 15.773 1.955 -22.545 299 2HG1 ILE 39 2HG1 ILE 39 15.416 2.236 -20.843 300 1HG2 ILE 39 1HG2 ILE 39 14.308 0.479 -23.909 301 2HG2 ILE 39 2HG2 ILE 39 13.209 -0.634 -23.126 302 3HG2 ILE 39 3HG2 ILE 39 14.942 -0.863 -22.989 303 1HD1 ILE 39 1HD1 ILE 39 16.741 -0.276 -22.000 304 2HD1 ILE 39 2HD1 ILE 39 16.251 -0.110 -20.330 305 3HD1 ILE 39 3HD1 ILE 39 17.504 0.905 -20.973 306 H ASN 40 H ASN 40 13.768 4.305 -22.611 307 HA ASN 40 HA ASN 40 13.145 3.761 -25.380 308 1HB ASN 40 1HB ASN 40 12.071 6.164 -25.194 309 2HB ASN 40 2HB ASN 40 11.116 4.808 -24.621 310 1HD2 ASN 40 1HD2 ASN 40 10.075 5.441 -22.672 311 2HD2 ASN 40 2HD2 ASN 40 10.869 6.407 -21.512 312 H THR 41 H THR 41 15.451 4.373 -23.206 313 HA THR 41 HA THR 41 16.809 6.610 -24.482 314 HB THR 41 HB THR 41 18.393 6.399 -22.514 315 HG1 THR 41 HG1 THR 41 17.300 4.462 -21.166 316 1HG2 THR 41 1HG2 THR 41 16.027 7.284 -21.954 317 2HG2 THR 41 2HG2 THR 41 16.843 6.504 -20.610 318 3HG2 THR 41 3HG2 THR 41 15.589 5.651 -21.505 319 H GLU 42 H GLU 42 19.293 6.157 -24.371 320 HA GLU 42 HA GLU 42 19.775 4.119 -26.429 321 1HB GLU 42 1HB GLU 42 21.980 5.404 -26.618 322 2HB GLU 42 2HB GLU 42 20.567 6.402 -26.825 323 1HG GLU 42 1HG GLU 42 20.787 7.182 -24.406 324 2HG GLU 42 2HG GLU 42 22.227 6.189 -24.274 325 H ARG 43 H ARG 43 22.077 3.300 -26.124 326 HA ARG 43 HA ARG 43 22.041 1.579 -23.685 327 1HB ARG 43 1HB ARG 43 21.851 0.635 -25.939 328 2HB ARG 43 2HB ARG 43 23.520 1.066 -26.287 329 1HG ARG 43 1HG ARG 43 24.362 -0.522 -24.668 330 2HG ARG 43 2HG ARG 43 22.814 -0.585 -23.831 331 1HD ARG 43 1HD ARG 43 21.718 -1.595 -25.805 332 2HD ARG 43 2HD ARG 43 23.236 -1.593 -26.659 333 HE ARG 43 HE ARG 43 22.813 -3.133 -24.056 334 1HH1 ARG 43 1HH1 ARG 43 24.899 -2.838 -26.528 335 2HH1 ARG 43 2HH1 ARG 43 25.186 -4.544 -26.714 336 1HH2 ARG 43 1HH2 ARG 43 22.576 -5.139 -24.480 337 2HH2 ARG 43 2HH2 ARG 43 23.727 -5.954 -25.493 338 HA PRO 44 HA PRO 44 25.241 4.204 -21.793 339 1HB PRO 44 1HB PRO 44 26.194 1.475 -20.570 340 2HB PRO 44 2HB PRO 44 25.783 2.998 -19.816 341 1HG PRO 44 1HG PRO 44 24.071 0.754 -20.244 342 2HG PRO 44 2HG PRO 44 23.628 2.271 -19.500 343 1HD PRO 44 1HD PRO 44 22.767 1.182 -21.953 344 2HD PRO 44 2HD PRO 44 22.455 2.843 -21.470 345 H GLY 45 H GLY 45 26.954 1.385 -22.192 346 1HA GLY 45 1HA GLY 45 28.711 0.729 -23.879 347 2HA GLY 45 2HA GLY 45 28.503 2.314 -24.592 348 H MET 46 H MET 46 28.804 3.957 -22.893 349 HA MET 46 HA MET 46 31.095 5.040 -22.609 350 1HB MET 46 1HB MET 46 29.232 4.680 -20.249 351 2HB MET 46 2HB MET 46 30.558 5.825 -20.241 352 1HG MET 46 1HG MET 46 29.496 6.693 -22.479 353 2HG MET 46 2HG MET 46 28.088 5.834 -21.924 354 1HE MET 46 1HE MET 46 30.301 8.676 -21.884 355 2HE MET 46 2HE MET 46 30.822 8.323 -20.220 356 3HE MET 46 3HE MET 46 29.815 9.726 -20.583 357 H LEU 47 H LEU 47 30.622 2.779 -19.847 358 HA LEU 47 HA LEU 47 33.532 3.062 -19.381 359 1HB LEU 47 1HB LEU 47 31.358 1.591 -17.818 360 2HB LEU 47 2HB LEU 47 33.041 1.582 -17.352 361 HG LEU 47 HG LEU 47 32.805 4.232 -17.594 362 1HD1 LEU 47 1HD1 LEU 47 29.913 3.479 -16.968 363 2HD1 LEU 47 2HD1 LEU 47 30.472 4.291 -18.424 364 3HD1 LEU 47 3HD1 LEU 47 30.627 5.074 -16.880 365 1HD2 LEU 47 1HD2 LEU 47 32.244 4.413 -15.206 366 2HD2 LEU 47 2HD2 LEU 47 33.411 3.143 -15.519 367 3HD2 LEU 47 3HD2 LEU 47 31.749 2.738 -15.176 368 H ASP 48 H ASP 48 31.498 0.242 -19.510 369 HA ASP 48 HA ASP 48 32.466 -1.295 -21.558 370 1HB ASP 48 1HB ASP 48 34.406 -2.694 -20.525 371 2HB ASP 48 2HB ASP 48 34.855 -1.073 -20.934 372 H PHE 49 H PHE 49 32.486 -1.437 -18.241 373 HA PHE 49 HA PHE 49 31.410 -4.035 -17.731 374 1HB PHE 49 1HB PHE 49 32.180 -3.499 -15.517 375 2HB PHE 49 2HB PHE 49 33.099 -2.374 -16.465 376 HD1 PHE 49 HD1 PHE 49 31.770 -2.167 -13.440 377 HD2 PHE 49 HD2 PHE 49 31.007 -0.369 -17.224 378 HE1 PHE 49 HE1 PHE 49 30.763 -0.270 -12.340 379 HE2 PHE 49 HE2 PHE 49 29.986 1.539 -16.100 380 HZ PHE 49 HZ PHE 49 29.846 1.587 -13.643 381 H LYS 50 H LYS 50 30.135 -3.263 -15.516 382 HA LYS 50 HA LYS 50 27.552 -3.822 -15.548 383 1HB LYS 50 1HB LYS 50 28.934 -1.678 -13.927 384 2HB LYS 50 2HB LYS 50 27.344 -2.254 -13.550 385 1HG LYS 50 1HG LYS 50 29.164 -3.248 -12.152 386 2HG LYS 50 2HG LYS 50 28.094 -4.413 -12.918 387 1HD LYS 50 1HD LYS 50 29.802 -5.237 -14.366 388 2HD LYS 50 2HD LYS 50 30.803 -3.830 -14.111 389 1HE LYS 50 1HE LYS 50 31.653 -5.864 -12.949 390 2HE LYS 50 2HE LYS 50 31.517 -4.389 -12.008 391 1HZ LYS 50 1HZ LYS 50 30.195 -5.427 -10.576 392 2HZ LYS 50 2HZ LYS 50 30.223 -6.877 -11.443 393 3HZ LYS 50 3HZ LYS 50 29.068 -5.660 -11.751 394 H GLY 51 H GLY 51 28.768 -0.763 -16.329 395 1HA GLY 51 1HA GLY 51 26.644 1.012 -16.536 396 2HA GLY 51 2HA GLY 51 27.871 0.942 -17.818 397 H LYS 52 H LYS 52 27.380 -1.430 -18.968 398 HA LYS 52 HA LYS 52 24.827 -0.999 -20.427 399 1HB LYS 52 1HB LYS 52 26.980 -3.167 -20.678 400 2HB LYS 52 2HB LYS 52 25.579 -3.072 -21.721 401 1HG LYS 52 1HG LYS 52 27.052 -1.888 -23.033 402 2HG LYS 52 2HG LYS 52 26.357 -0.590 -22.107 403 1HD LYS 52 1HD LYS 52 28.440 0.005 -21.309 404 2HD LYS 52 2HD LYS 52 28.675 -1.554 -20.566 405 1HE LYS 52 1HE LYS 52 29.087 -1.249 -23.549 406 2HE LYS 52 2HE LYS 52 30.339 -0.696 -22.443 407 1HZ LYS 52 1HZ LYS 52 29.677 -3.402 -23.183 408 2HZ LYS 52 2HZ LYS 52 29.666 -3.171 -21.480 409 3HZ LYS 52 3HZ LYS 52 31.025 -2.845 -22.312 410 H ALA 53 H ALA 53 26.028 -3.352 -18.567 411 HA ALA 53 HA ALA 53 24.024 -5.357 -18.565 412 1HB ALA 53 1HB ALA 53 24.735 -5.951 -16.142 413 2HB ALA 53 2HB ALA 53 25.534 -4.391 -16.044 414 3HB ALA 53 3HB ALA 53 26.130 -5.608 -17.153 415 H LYS 54 H LYS 54 24.064 -2.469 -16.420 416 HA LYS 54 HA LYS 54 21.406 -2.935 -15.386 417 1HB LYS 54 1HB LYS 54 21.620 -0.810 -14.360 418 2HB LYS 54 2HB LYS 54 23.230 -1.487 -14.421 419 1HG LYS 54 1HG LYS 54 23.632 -0.194 -16.556 420 2HG LYS 54 2HG LYS 54 22.109 0.659 -16.291 421 1HD LYS 54 1HD LYS 54 22.906 1.211 -13.938 422 2HD LYS 54 2HD LYS 54 24.406 0.433 -14.430 423 1HE LYS 54 1HE LYS 54 25.217 2.377 -15.175 424 2HE LYS 54 2HE LYS 54 23.939 2.467 -16.369 425 1HZ LYS 54 1HZ LYS 54 22.979 4.221 -15.082 426 2HZ LYS 54 2HZ LYS 54 24.173 4.097 -13.941 427 3HZ LYS 54 3HZ LYS 54 22.877 3.303 -13.772 428 H TRP 55 H TRP 55 22.116 -1.837 -18.619 429 HA TRP 55 HA TRP 55 19.598 -0.323 -18.843 430 1HB TRP 55 1HB TRP 55 21.857 0.386 -19.803 431 2HB TRP 55 2HB TRP 55 21.761 -0.949 -20.903 432 HD1 TRP 55 HD1 TRP 55 20.083 2.459 -20.232 433 HE1 TRP 55 HE1 TRP 55 18.665 2.934 -22.299 434 HE3 TRP 55 HE3 TRP 55 20.462 -1.935 -22.690 435 HZ2 TRP 55 HZ2 TRP 55 17.729 1.682 -24.639 436 HZ3 TRP 55 HZ3 TRP 55 19.295 -2.310 -24.834 437 HH2 TRP 55 HH2 TRP 55 17.917 -0.495 -25.826 438 H ASP 56 H ASP 56 21.408 -2.998 -19.753 439 HA ASP 56 HA ASP 56 19.624 -4.192 -21.704 440 1HB ASP 56 1HB ASP 56 22.245 -4.654 -20.276 441 2HB ASP 56 2HB ASP 56 21.599 -6.112 -20.881 442 H ALA 57 H ALA 57 20.504 -4.876 -18.340 443 HA ALA 57 HA ALA 57 18.572 -6.707 -17.676 444 1HB ALA 57 1HB ALA 57 19.738 -4.422 -16.024 445 2HB ALA 57 2HB ALA 57 20.470 -6.004 -16.253 446 3HB ALA 57 3HB ALA 57 18.974 -5.838 -15.328 447 H TRP 58 H TRP 58 18.110 -3.286 -18.244 448 HA TRP 58 HA TRP 58 15.346 -3.235 -17.109 449 1HB TRP 58 1HB TRP 58 16.843 -1.283 -16.771 450 2HB TRP 58 2HB TRP 58 16.992 -1.057 -18.500 451 HD1 TRP 58 HD1 TRP 58 13.507 -2.007 -17.197 452 HE1 TRP 58 HE1 TRP 58 12.085 0.118 -17.495 453 HE3 TRP 58 HE3 TRP 58 16.996 1.405 -18.306 454 HZ2 TRP 58 HZ2 TRP 58 12.289 2.849 -18.033 455 HZ3 TRP 58 HZ3 TRP 58 16.345 3.850 -18.682 456 HH2 TRP 58 HH2 TRP 58 14.031 4.522 -18.549 457 H ASN 59 H ASN 59 17.028 -3.240 -20.021 458 HA ASN 59 HA ASN 59 14.926 -2.848 -21.999 459 1HB ASN 59 1HB ASN 59 17.250 -2.557 -22.700 460 2HB ASN 59 2HB ASN 59 17.694 -4.084 -21.987 461 1HD2 ASN 59 1HD2 ASN 59 18.654 -4.992 -23.753 462 2HD2 ASN 59 2HD2 ASN 59 17.746 -5.410 -25.136 463 H GLU 60 H GLU 60 16.202 -5.394 -20.240 464 HA GLU 60 HA GLU 60 14.781 -7.701 -21.239 465 1HB GLU 60 1HB GLU 60 16.879 -7.871 -19.976 466 2HB GLU 60 2HB GLU 60 16.150 -7.080 -18.595 467 1HG GLU 60 1HG GLU 60 16.240 -9.496 -18.162 468 2HG GLU 60 2HG GLU 60 14.560 -9.072 -18.364 469 H LEU 61 H LEU 61 13.890 -5.188 -19.170 470 HA LEU 61 HA LEU 61 11.236 -6.390 -18.466 471 1HB LEU 61 1HB LEU 61 12.511 -4.117 -16.880 472 2HB LEU 61 2HB LEU 61 11.258 -5.236 -16.377 473 HG LEU 61 HG LEU 61 14.196 -5.941 -16.750 474 1HD1 LEU 61 1HD1 LEU 61 14.178 -6.097 -14.329 475 2HD1 LEU 61 2HD1 LEU 61 12.469 -5.701 -14.269 476 3HD1 LEU 61 3HD1 LEU 61 13.627 -4.496 -14.792 477 1HD2 LEU 61 1HD2 LEU 61 12.681 -7.807 -17.250 478 2HD2 LEU 61 2HD2 LEU 61 11.841 -7.581 -15.717 479 3HD2 LEU 61 3HD2 LEU 61 13.530 -8.087 -15.744 480 H LYS 62 H LYS 62 11.884 -5.188 -20.897 481 HA LYS 62 HA LYS 62 11.131 -2.413 -20.873 482 1HB LYS 62 1HB LYS 62 12.850 -3.242 -22.360 483 2HB LYS 62 2HB LYS 62 11.843 -4.583 -22.858 484 1HG LYS 62 1HG LYS 62 10.398 -2.941 -24.115 485 2HG LYS 62 2HG LYS 62 11.458 -1.655 -23.627 486 1HD LYS 62 1HD LYS 62 12.153 -2.469 -25.886 487 2HD LYS 62 2HD LYS 62 13.407 -2.838 -24.734 488 1HE LYS 62 1HE LYS 62 11.346 -4.974 -25.019 489 2HE LYS 62 2HE LYS 62 12.280 -4.682 -26.477 490 1HZ LYS 62 1HZ LYS 62 14.034 -5.782 -25.541 491 2HZ LYS 62 2HZ LYS 62 13.178 -6.040 -24.086 492 3HZ LYS 62 3HZ LYS 62 14.096 -4.685 -24.296 493 H GLY 63 H GLY 63 9.064 -5.194 -21.109 494 1HA GLY 63 1HA GLY 63 6.937 -3.286 -21.876 495 2HA GLY 63 2HA GLY 63 7.028 -4.953 -22.528 496 H THR 64 H THR 64 8.036 -3.731 -19.473 497 HA THR 64 HA THR 64 6.327 -5.656 -17.983 498 HB THR 64 HB THR 64 8.704 -3.996 -17.009 499 HG1 THR 64 HG1 THR 64 9.230 -6.528 -17.007 500 1HG2 THR 64 1HG2 THR 64 7.150 -4.847 -15.112 501 2HG2 THR 64 2HG2 THR 64 8.706 -5.622 -15.091 502 3HG2 THR 64 3HG2 THR 64 7.332 -6.462 -15.785 503 H SER 65 H SER 65 5.304 -5.002 -16.079 504 HA SER 65 HA SER 65 3.990 -2.398 -16.210 505 1HB SER 65 1HB SER 65 2.473 -3.736 -14.473 506 2HB SER 65 2HB SER 65 2.418 -4.189 -16.184 507 HG SER 65 HG SER 65 3.244 -5.752 -14.161 508 H LYS 66 H LYS 66 4.561 -0.946 -14.977 509 HA LYS 66 HA LYS 66 6.545 -0.662 -13.130 510 1HB LYS 66 1HB LYS 66 3.785 0.689 -13.009 511 2HB LYS 66 2HB LYS 66 5.186 1.270 -12.114 512 1HG LYS 66 1HG LYS 66 6.421 1.650 -14.208 513 2HG LYS 66 2HG LYS 66 5.152 0.924 -15.157 514 1HD LYS 66 1HD LYS 66 4.858 3.254 -15.411 515 2HD LYS 66 2HD LYS 66 3.571 2.759 -14.312 516 1HE LYS 66 1HE LYS 66 4.711 3.648 -12.399 517 2HE LYS 66 2HE LYS 66 6.217 3.811 -13.285 518 1HZ LYS 66 1HZ LYS 66 5.634 5.779 -13.953 519 2HZ LYS 66 2HZ LYS 66 4.143 5.750 -13.109 520 3HZ LYS 66 3HZ LYS 66 4.212 5.238 -14.716 521 H GLU 67 H GLU 67 3.325 -1.351 -12.210 522 HA GLU 67 HA GLU 67 3.473 -1.775 -9.520 523 1HB GLU 67 1HB GLU 67 1.900 -3.064 -11.800 524 2HB GLU 67 2HB GLU 67 1.461 -3.339 -10.151 525 1HG GLU 67 1HG GLU 67 0.057 -1.472 -11.102 526 2HG GLU 67 2HG GLU 67 1.088 -0.808 -9.854 527 H ASP 68 H ASP 68 4.016 -4.566 -11.871 528 HA ASP 68 HA ASP 68 4.688 -6.262 -9.733 529 1HB ASP 68 1HB ASP 68 5.161 -6.136 -12.709 530 2HB ASP 68 2HB ASP 68 5.717 -7.477 -11.754 531 H ALA 69 H ALA 69 6.506 -4.177 -11.654 532 HA ALA 69 HA ALA 69 9.160 -4.954 -10.826 533 1HB ALA 69 1HB ALA 69 8.157 -2.159 -11.570 534 2HB ALA 69 2HB ALA 69 8.652 -3.394 -12.694 535 3HB ALA 69 3HB ALA 69 9.840 -2.691 -11.600 536 H MET 70 H MET 70 6.716 -2.750 -9.466 537 HA MET 70 HA MET 70 8.360 -2.004 -7.175 538 1HB MET 70 1HB MET 70 5.262 -2.105 -7.522 539 2HB MET 70 2HB MET 70 5.995 -1.410 -6.095 540 1HG MET 70 1HG MET 70 7.208 0.159 -7.761 541 2HG MET 70 2HG MET 70 6.078 -0.397 -8.945 542 1HE MET 70 1HE MET 70 3.097 1.524 -8.629 543 2HE MET 70 2HE MET 70 3.065 -0.097 -7.912 544 3HE MET 70 3HE MET 70 4.055 0.257 -9.344 545 H LYS 71 H LYS 71 5.723 -4.272 -7.408 546 HA LYS 71 HA LYS 71 5.836 -5.452 -4.938 547 1HB LYS 71 1HB LYS 71 5.468 -6.677 -7.688 548 2HB LYS 71 2HB LYS 71 5.076 -7.523 -6.201 549 1HG LYS 71 1HG LYS 71 3.330 -5.920 -5.595 550 2HG LYS 71 2HG LYS 71 3.967 -4.709 -6.653 551 1HD LYS 71 1HD LYS 71 1.768 -5.955 -7.326 552 2HD LYS 71 2HD LYS 71 2.915 -5.497 -8.550 553 1HE LYS 71 1HE LYS 71 2.017 -7.816 -8.835 554 2HE LYS 71 2HE LYS 71 3.766 -7.761 -8.685 555 1HZ LYS 71 1HZ LYS 71 3.629 -9.093 -6.927 556 2HZ LYS 71 2HZ LYS 71 1.934 -9.071 -6.911 557 3HZ LYS 71 3HZ LYS 71 2.828 -7.857 -6.108 558 H ALA 72 H ALA 72 7.887 -6.541 -7.698 559 HA ALA 72 HA ALA 72 9.460 -8.292 -5.937 560 1HB ALA 72 1HB ALA 72 10.779 -8.686 -7.961 561 2HB ALA 72 2HB ALA 72 10.083 -7.281 -8.787 562 3HB ALA 72 3HB ALA 72 9.106 -8.686 -8.413 563 H TYR 73 H TYR 73 10.036 -4.975 -7.290 564 HA TYR 73 HA TYR 73 12.700 -4.630 -6.473 565 1HB TYR 73 1HB TYR 73 11.453 -2.993 -7.771 566 2HB TYR 73 2HB TYR 73 10.337 -2.721 -6.459 567 HD1 TYR 73 HD1 TYR 73 13.911 -2.343 -7.478 568 HD2 TYR 73 HD2 TYR 73 10.844 -1.171 -4.750 569 HE1 TYR 73 HE1 TYR 73 15.308 -0.536 -6.612 570 HE2 TYR 73 HE2 TYR 73 12.286 0.633 -3.925 571 HH TYR 73 HH TYR 73 15.258 1.380 -5.519 572 H ILE 74 H ILE 74 9.758 -3.969 -4.698 573 HA ILE 74 HA ILE 74 10.899 -3.255 -2.202 574 HB ILE 74 HB ILE 74 8.251 -4.633 -2.864 575 1HG1 ILE 74 1HG1 ILE 74 8.843 -1.716 -2.291 576 2HG1 ILE 74 2HG1 ILE 74 8.749 -2.352 -3.922 577 1HG2 ILE 74 1HG2 ILE 74 9.143 -3.025 -0.352 578 2HG2 ILE 74 2HG2 ILE 74 8.934 -4.770 -0.377 579 3HG2 ILE 74 3HG2 ILE 74 7.561 -3.730 -0.582 580 1HD1 ILE 74 1HD1 ILE 74 6.431 -3.187 -3.471 581 2HD1 ILE 74 2HD1 ILE 74 6.547 -1.445 -3.273 582 3HD1 ILE 74 3HD1 ILE 74 6.494 -2.483 -1.867 583 H ASP 75 H ASP 75 10.033 -6.491 -3.488 584 HA ASP 75 HA ASP 75 10.840 -7.898 -1.102 585 1HB ASP 75 1HB ASP 75 9.827 -8.465 -3.806 586 2HB ASP 75 2HB ASP 75 10.997 -9.629 -3.277 587 H LYS 76 H LYS 76 12.636 -6.720 -3.895 588 HA LYS 76 HA LYS 76 14.999 -8.388 -3.328 589 1HB LYS 76 1HB LYS 76 14.396 -7.215 -5.544 590 2HB LYS 76 2HB LYS 76 14.922 -5.710 -4.858 591 1HG LYS 76 1HG LYS 76 16.963 -6.590 -5.861 592 2HG LYS 76 2HG LYS 76 17.116 -7.176 -4.206 593 1HD LYS 76 1HD LYS 76 15.504 -9.164 -5.395 594 2HD LYS 76 2HD LYS 76 16.501 -8.722 -6.725 595 1HE LYS 76 1HE LYS 76 17.564 -9.568 -4.025 596 2HE LYS 76 2HE LYS 76 17.334 -10.670 -5.373 597 1HZ LYS 76 1HZ LYS 76 19.537 -9.100 -4.834 598 2HZ LYS 76 2HZ LYS 76 18.814 -8.421 -6.263 599 3HZ LYS 76 3HZ LYS 76 19.304 -10.060 -6.197 600 H VAL 77 H VAL 77 13.880 -5.078 -2.762 601 HA VAL 77 HA VAL 77 15.916 -4.136 -0.999 602 HB VAL 77 HB VAL 77 12.878 -3.667 -0.691 603 1HG1 VAL 77 1HG1 VAL 77 15.309 -2.147 0.371 604 2HG1 VAL 77 2HG1 VAL 77 14.197 -3.054 1.371 605 3HG1 VAL 77 3HG1 VAL 77 13.655 -1.606 0.555 606 1HG2 VAL 77 1HG2 VAL 77 15.050 -2.073 -2.100 607 2HG2 VAL 77 2HG2 VAL 77 13.392 -1.557 -1.966 608 3HG2 VAL 77 3HG2 VAL 77 13.804 -2.957 -2.937 609 H GLU 78 H GLU 78 12.936 -5.992 0.058 610 HA GLU 78 HA GLU 78 13.945 -6.394 2.639 611 1HB GLU 78 1HB GLU 78 11.722 -7.284 1.149 612 2HB GLU 78 2HB GLU 78 12.394 -8.768 1.704 613 1HG GLU 78 1HG GLU 78 11.804 -6.247 3.495 614 2HG GLU 78 2HG GLU 78 10.733 -7.609 3.364 615 H GLU 79 H GLU 79 14.664 -8.459 -0.251 616 HA GLU 79 HA GLU 79 16.254 -10.438 1.116 617 1HB GLU 79 1HB GLU 79 16.613 -9.224 -1.634 618 2HB GLU 79 2HB GLU 79 17.753 -10.389 -1.015 619 1HG GLU 79 1HG GLU 79 15.950 -12.116 -0.894 620 2HG GLU 79 2HG GLU 79 14.835 -10.910 -1.552 621 H LEU 80 H LEU 80 17.181 -7.365 -0.341 622 HA LEU 80 HA LEU 80 19.910 -7.280 0.245 623 1HB LEU 80 1HB LEU 80 17.711 -5.196 -0.190 624 2HB LEU 80 2HB LEU 80 19.376 -4.709 -0.009 625 HG LEU 80 HG LEU 80 18.489 -6.751 -2.084 626 1HD1 LEU 80 1HD1 LEU 80 19.052 -3.789 -2.438 627 2HD1 LEU 80 2HD1 LEU 80 17.465 -4.550 -2.548 628 3HD1 LEU 80 3HD1 LEU 80 18.722 -4.981 -3.701 629 1HD2 LEU 80 1HD2 LEU 80 20.834 -6.811 -1.451 630 2HD2 LEU 80 2HD2 LEU 80 20.994 -5.059 -1.630 631 3HD2 LEU 80 3HD2 LEU 80 20.723 -6.078 -3.020 632 H LYS 81 H LYS 81 17.107 -6.260 2.096 633 HA LYS 81 HA LYS 81 18.486 -5.169 4.310 634 1HB LYS 81 1HB LYS 81 16.014 -4.999 3.572 635 2HB LYS 81 2HB LYS 81 15.784 -6.654 4.070 636 1HG LYS 81 1HG LYS 81 16.280 -6.098 6.392 637 2HG LYS 81 2HG LYS 81 16.536 -4.433 5.950 638 1HD LYS 81 1HD LYS 81 14.133 -4.604 4.832 639 2HD LYS 81 2HD LYS 81 13.930 -6.019 5.829 640 1HE LYS 81 1HE LYS 81 14.371 -3.181 6.789 641 2HE LYS 81 2HE LYS 81 12.925 -4.163 7.000 642 1HZ LYS 81 1HZ LYS 81 15.261 -5.496 7.974 643 2HZ LYS 81 2HZ LYS 81 13.879 -5.055 8.905 644 3HZ LYS 81 3HZ LYS 81 15.225 -4.016 8.604 645 H LYS 82 H LYS 82 17.109 -8.464 3.937 646 HA LYS 82 HA LYS 82 18.176 -9.585 6.216 647 1HB LYS 82 1HB LYS 82 17.900 -10.850 3.461 648 2HB LYS 82 2HB LYS 82 18.105 -11.776 4.940 649 1HG LYS 82 1HG LYS 82 16.034 -10.845 5.837 650 2HG LYS 82 2HG LYS 82 15.843 -9.772 4.475 651 1HD LYS 82 1HD LYS 82 15.835 -11.961 3.006 652 2HD LYS 82 2HD LYS 82 15.647 -12.815 4.526 653 1HE LYS 82 1HE LYS 82 13.381 -12.385 3.717 654 2HE LYS 82 2HE LYS 82 13.692 -11.256 5.032 655 1HZ LYS 82 1HZ LYS 82 14.676 -10.038 2.705 656 2HZ LYS 82 2HZ LYS 82 13.410 -9.583 3.684 657 3HZ LYS 82 3HZ LYS 82 13.105 -10.592 2.336 658 H LYS 83 H LYS 83 19.641 -9.316 3.194 659 HA LYS 83 HA LYS 83 22.173 -10.536 3.691 660 1HB LYS 83 1HB LYS 83 21.311 -8.492 1.634 661 2HB LYS 83 2HB LYS 83 22.846 -9.327 1.570 662 1HG LYS 83 1HG LYS 83 21.839 -11.422 1.156 663 2HG LYS 83 2HG LYS 83 20.270 -10.895 1.747 664 1HD LYS 83 1HD LYS 83 19.816 -9.539 -0.173 665 2HD LYS 83 2HD LYS 83 21.461 -9.466 -0.695 666 1HE LYS 83 1HE LYS 83 20.229 -12.191 -0.503 667 2HE LYS 83 2HE LYS 83 19.558 -11.136 -1.748 668 1HZ LYS 83 1HZ LYS 83 22.331 -10.782 -1.769 669 2HZ LYS 83 2HZ LYS 83 21.335 -11.306 -2.937 670 3HZ LYS 83 3HZ LYS 83 22.030 -12.484 -1.878 671 H TYR 84 H TYR 84 21.499 -7.111 3.510 672 HA TYR 84 HA TYR 84 24.196 -6.515 4.525 673 1HB TYR 84 1HB TYR 84 22.096 -4.812 3.134 674 2HB TYR 84 2HB TYR 84 23.724 -4.259 3.524 675 HD1 TYR 84 HD1 TYR 84 21.769 -5.896 1.057 676 HD2 TYR 84 HD2 TYR 84 25.679 -5.891 2.689 677 HE1 TYR 84 HE1 TYR 84 22.635 -7.066 -0.946 678 HE2 TYR 84 HE2 TYR 84 26.507 -7.051 0.673 679 HH TYR 84 HH TYR 84 24.270 -8.300 -1.741 680 H GLY 85 H GLY 85 20.997 -6.459 6.145 681 1HA GLY 85 1HA GLY 85 21.036 -5.999 8.399 682 2HA GLY 85 2HA GLY 85 22.488 -5.123 8.283 683 H ILE 86 H ILE 86 19.140 -4.523 6.985 684 HA ILE 86 HA ILE 86 19.037 -2.114 8.706 685 HB ILE 86 HB ILE 86 19.650 -1.632 6.195 686 1HG1 ILE 86 1HG1 ILE 86 16.994 -0.684 7.191 687 2HG1 ILE 86 2HG1 ILE 86 18.494 0.000 7.759 688 1HG2 ILE 86 1HG2 ILE 86 16.754 -2.458 5.752 689 2HG2 ILE 86 2HG2 ILE 86 18.148 -3.370 5.178 690 3HG2 ILE 86 3HG2 ILE 86 17.810 -1.776 4.537 691 1HD1 ILE 86 1HD1 ILE 86 19.008 0.805 5.379 692 2HD1 ILE 86 2HD1 ILE 86 17.552 1.522 6.045 693 3HD1 ILE 86 3HD1 ILE 86 17.422 0.238 4.873 694 AH2 COA 1 AH2 COA 1 17.305 0.907 -8.082 695 AH61 COA 1 AH61 COA 1 15.280 2.941 -4.758 696 AH62 COA 1 AH62 COA 1 15.905 4.593 -4.681 697 AH8 COA 1 AH8 COA 1 18.638 7.148 -7.920 698 AH1* COA 1 AH1* COA 1 19.058 4.371 -10.450 699 AH2* COA 1 AH2* COA 1 19.488 7.308 -9.722 700 AHO2 COA 1 AHO2 COA 1 17.768 6.464 -11.081 701 AH3* COA 1 AH3* COA 1 21.480 7.364 -10.988 702 AH4* COA 1 AH4* COA 1 22.381 4.780 -10.412 703 AH51 COA 1 AH51 COA 1 23.155 6.949 -9.387 704 AH52 COA 1 AH52 COA 1 23.034 5.656 -8.251 705 1H12 COA 1 1H12 COA 1 22.127 5.866 -4.550 706 2H12 COA 1 2H12 COA 1 22.325 6.144 -6.245 707 1H13 COA 1 1H13 COA 1 24.700 8.496 -5.343 708 2H13 COA 1 2H13 COA 1 25.887 7.247 -5.554 709 3H13 COA 1 3H13 COA 1 24.632 7.462 -6.767 710 1H14 COA 1 1H14 COA 1 25.508 5.013 -5.297 711 2H14 COA 1 2H14 COA 1 24.314 5.139 -6.565 712 3H14 COA 1 3H14 COA 1 23.880 4.352 -5.077 713 H10 COA 1 H10 COA 1 23.703 5.731 -2.975 714 HO1 COA 1 HO1 COA 1 22.860 7.983 -3.788 715 HN8 COA 1 HN8 COA 1 26.797 6.002 -1.651 716 1H7 COA 1 1H7 COA 1 24.330 6.181 -0.283 717 2H7 COA 1 2H7 COA 1 24.197 4.683 -1.211 718 1H6 COA 1 1H6 COA 1 26.328 5.404 0.898 719 2H6 COA 1 2H6 COA 1 25.276 3.992 0.915 720 HN4 COA 1 HN4 COA 1 25.642 3.688 -1.890 721 1H3 COA 1 1H3 COA 1 28.447 2.786 -2.252 722 2H3 COA 1 2H3 COA 1 27.136 1.625 -2.461 723 1H2 COA 1 1H2 COA 1 26.638 4.181 -3.798 724 2H2 COA 1 2H2 COA 1 28.059 3.393 -4.427 725 1H2 PLY 2 1H2 PLY 2 23.698 2.918 -3.780 726 2H2 PLY 2 2H2 PLY 2 24.360 2.425 -2.234 727 1H3 PLY 2 1H3 PLY 2 22.002 1.998 -2.303 728 2H3 PLY 2 2H3 PLY 2 22.973 0.577 -2.024 729 1H4 PLY 2 1H4 PLY 2 22.162 -0.557 -3.963 730 2H4 PLY 2 2H4 PLY 2 20.836 0.582 -3.945 731 1H5 PLY 2 1H5 PLY 2 21.948 0.237 -6.111 732 2H5 PLY 2 2H5 PLY 2 23.266 1.165 -5.455 733 1H6 PLY 2 1H6 PLY 2 20.493 2.292 -5.235 734 2H6 PLY 2 2H6 PLY 2 22.005 3.183 -5.363 735 1H7 PLY 2 1H7 PLY 2 20.809 1.481 -7.566 736 2H7 PLY 2 2H7 PLY 2 20.577 3.198 -7.420 737 1H8 PLY 2 1H8 PLY 2 22.904 3.730 -7.764 738 2H8 PLY 2 2H8 PLY 2 22.373 2.755 -9.096 739 1H9 PLY 2 1H9 PLY 2 23.461 0.742 -7.849 740 2H9 PLY 2 2H9 PLY 2 24.227 1.975 -6.857 741 1HA PLY 2 1HA PLY 2 24.714 2.995 -9.357 742 2HA PLY 2 2HA PLY 2 25.862 2.143 -8.360 743 1HB PLY 2 1HB PLY 2 25.296 -0.017 -9.484 744 2HB PLY 2 2HB PLY 2 25.765 1.208 -10.643 745 1HC PLY 2 1HC PLY 2 23.430 1.721 -11.124 746 2HC PLY 2 2HC PLY 2 22.871 0.474 -10.035 747 1HD PLY 2 1HD PLY 2 22.923 -0.282 -12.403 748 2HD PLY 2 2HD PLY 2 24.623 0.121 -12.505 749 1HE PLY 2 1HE PLY 2 23.844 -2.371 -12.179 750 2HE PLY 2 2HE PLY 2 23.754 -1.897 -10.501 751 1HF PLY 2 1HF PLY 2 26.147 -1.822 -10.311 752 2HF PLY 2 2HF PLY 2 26.370 -1.283 -11.967 753 1HG PLY 2 1HG PLY 2 25.452 -3.945 -10.972 754 2HG PLY 2 2HG PLY 2 25.720 -3.544 -12.669 755 3HG PLY 2 3HG PLY 2 27.058 -3.491 -11.514 Start of MODEL 19 1 1H SER 1 1H SER 1 0.069 9.077 -1.686 2 2H SER 1 2H SER 1 -0.789 8.800 -0.234 3 H SER 1 H SER 1 0.560 7.849 -0.628 4 HA SER 1 HA SER 1 -2.110 7.339 -1.308 5 1HB SER 1 1HB SER 1 -1.637 7.150 -3.896 6 2HB SER 1 2HB SER 1 -1.906 8.799 -3.287 7 HG SER 1 HG SER 1 0.120 8.878 -4.251 8 H GLN 2 H GLN 2 0.625 6.483 -3.298 9 HA GLN 2 HA GLN 2 0.822 3.820 -1.926 10 1HB GLN 2 1HB GLN 2 -0.551 3.645 -4.047 11 2HB GLN 2 2HB GLN 2 0.821 4.250 -4.957 12 1HG GLN 2 1HG GLN 2 1.753 1.985 -3.300 13 2HG GLN 2 2HG GLN 2 0.307 1.534 -4.212 14 1HE2 GLN 2 1HE2 GLN 2 3.702 2.355 -4.576 15 2HE2 GLN 2 2HE2 GLN 2 3.757 1.825 -6.207 16 H ALA 3 H ALA 3 2.780 6.203 -1.779 17 HA ALA 3 HA ALA 3 4.977 5.474 -3.442 18 1HB ALA 3 1HB ALA 3 6.239 7.015 -1.911 19 2HB ALA 3 2HB ALA 3 4.844 7.038 -0.848 20 3HB ALA 3 3HB ALA 3 4.730 7.718 -2.470 21 H GLU 4 H GLU 4 4.187 2.913 -2.267 22 HA GLU 4 HA GLU 4 5.862 2.407 -0.058 23 1HB GLU 4 1HB GLU 4 3.921 0.839 -1.750 24 2HB GLU 4 2HB GLU 4 4.762 0.136 -0.397 25 1HG GLU 4 1HG GLU 4 3.001 2.649 -0.182 26 2HG GLU 4 2HG GLU 4 2.560 1.065 0.407 27 H PHE 5 H PHE 5 6.108 1.929 -3.316 28 HA PHE 5 HA PHE 5 8.397 0.062 -3.261 29 1HB PHE 5 1HB PHE 5 6.924 -0.256 -5.090 30 2HB PHE 5 2HB PHE 5 6.517 1.443 -5.070 31 HD1 PHE 5 HD1 PHE 5 9.304 -0.881 -6.013 32 HD2 PHE 5 HD2 PHE 5 7.585 2.966 -6.477 33 HE1 PHE 5 HE1 PHE 5 10.903 -0.406 -7.831 34 HE2 PHE 5 HE2 PHE 5 9.133 3.453 -8.273 35 HZ PHE 5 HZ PHE 5 10.805 1.795 -8.961 36 H ASP 6 H ASP 6 7.489 3.284 -3.613 37 HA ASP 6 HA ASP 6 9.788 4.591 -4.492 38 1HB ASP 6 1HB ASP 6 7.379 5.499 -2.854 39 2HB ASP 6 2HB ASP 6 8.293 6.485 -3.932 40 H LYS 7 H LYS 7 8.207 4.082 -1.547 41 HA LYS 7 HA LYS 7 10.015 5.145 0.399 42 1HB LYS 7 1HB LYS 7 7.717 4.685 0.825 43 2HB LYS 7 2HB LYS 7 7.878 3.006 0.367 44 1HG LYS 7 1HG LYS 7 9.202 2.627 2.485 45 2HG LYS 7 2HG LYS 7 8.954 4.333 2.892 46 1HD LYS 7 1HD LYS 7 6.455 4.006 2.552 47 2HD LYS 7 2HD LYS 7 6.743 2.334 2.152 48 1HE LYS 7 1HE LYS 7 7.525 1.924 4.478 49 2HE LYS 7 2HE LYS 7 7.118 3.593 4.886 50 1HZ LYS 7 1HZ LYS 7 4.906 2.975 5.023 51 2HZ LYS 7 2HZ LYS 7 5.329 1.374 4.602 52 3HZ LYS 7 3HZ LYS 7 5.002 2.480 3.409 53 H ALA 8 H ALA 8 9.669 1.955 -1.112 54 HA ALA 8 HA ALA 8 11.811 0.695 0.397 55 1HB ALA 8 1HB ALA 8 10.877 0.052 -2.491 56 2HB ALA 8 2HB ALA 8 10.141 -0.582 -1.035 57 3HB ALA 8 3HB ALA 8 11.777 -1.036 -1.443 58 H ALA 9 H ALA 9 11.750 2.579 -2.743 59 HA ALA 9 HA ALA 9 14.478 2.402 -3.266 60 1HB ALA 9 1HB ALA 9 12.859 3.631 -4.746 61 2HB ALA 9 2HB ALA 9 14.200 4.702 -4.418 62 3HB ALA 9 3HB ALA 9 12.702 4.922 -3.581 63 H GLU 10 H GLU 10 12.956 4.793 -1.061 64 HA GLU 10 HA GLU 10 15.342 6.154 -0.158 65 1HB GLU 10 1HB GLU 10 12.862 5.332 1.484 66 2HB GLU 10 2HB GLU 10 14.065 6.461 2.053 67 1HG GLU 10 1HG GLU 10 13.457 8.073 0.293 68 2HG GLU 10 2HG GLU 10 12.369 6.921 -0.448 69 H GLU 11 H GLU 11 13.751 3.312 1.189 70 HA GLU 11 HA GLU 11 15.727 2.668 3.029 71 1HB GLU 11 1HB GLU 11 13.887 0.904 1.383 72 2HB GLU 11 2HB GLU 11 14.906 0.292 2.659 73 1HG GLU 11 1HG GLU 11 13.688 2.622 3.768 74 2HG GLU 11 2HG GLU 11 12.429 1.782 2.926 75 H VAL 12 H VAL 12 15.722 1.519 -0.422 76 HA VAL 12 HA VAL 12 18.114 -0.004 -0.119 77 HB VAL 12 HB VAL 12 16.044 0.223 -1.914 78 1HG1 VAL 12 1HG1 VAL 12 18.495 1.278 -3.391 79 2HG1 VAL 12 2HG1 VAL 12 17.014 2.179 -3.063 80 3HG1 VAL 12 3HG1 VAL 12 16.981 0.777 -4.108 81 1HG2 VAL 12 1HG2 VAL 12 17.430 -1.819 -1.593 82 2HG2 VAL 12 2HG2 VAL 12 18.705 -1.059 -2.555 83 3HG2 VAL 12 3HG2 VAL 12 17.168 -1.443 -3.280 84 H LYS 13 H LYS 13 17.507 3.321 -1.327 85 HA LYS 13 HA LYS 13 20.131 3.948 -2.123 86 1HB LYS 13 1HB LYS 13 17.686 5.445 -1.416 87 2HB LYS 13 2HB LYS 13 19.127 6.226 -0.845 88 1HG LYS 13 1HG LYS 13 20.085 6.124 -3.222 89 2HG LYS 13 2HG LYS 13 18.608 5.335 -3.739 90 1HD LYS 13 1HD LYS 13 18.225 7.613 -4.373 91 2HD LYS 13 2HD LYS 13 17.354 7.460 -2.871 92 1HE LYS 13 1HE LYS 13 18.529 9.557 -2.706 93 2HE LYS 13 2HE LYS 13 19.516 8.448 -1.759 94 1HZ LYS 13 1HZ LYS 13 20.318 9.822 -4.216 95 2HZ LYS 13 2HZ LYS 13 20.341 8.239 -4.458 96 3HZ LYS 13 3HZ LYS 13 21.280 8.830 -3.282 97 H HIS 14 H HIS 14 18.848 3.435 0.923 98 HA HIS 14 HA HIS 14 21.180 4.488 2.435 99 1HB HIS 14 1HB HIS 14 18.563 3.237 3.333 100 2HB HIS 14 2HB HIS 14 19.818 3.684 4.469 101 HD1 HIS 14 HD1 HIS 14 17.071 5.094 2.590 102 HD2 HIS 14 HD2 HIS 14 20.357 6.533 4.554 103 HE1 HIS 14 HE1 HIS 14 16.690 7.528 2.938 104 H LEU 15 H LEU 15 20.786 1.687 0.922 105 HA LEU 15 HA LEU 15 21.627 -0.238 2.929 106 1HB LEU 15 1HB LEU 15 21.396 -0.319 -0.075 107 2HB LEU 15 2HB LEU 15 22.120 -1.687 0.768 108 HG LEU 15 HG LEU 15 19.392 -0.554 1.464 109 1HD1 LEU 15 1HD1 LEU 15 20.257 -2.987 -0.155 110 2HD1 LEU 15 2HD1 LEU 15 19.543 -1.542 -0.812 111 3HD1 LEU 15 3HD1 LEU 15 18.580 -2.578 0.251 112 1HD2 LEU 15 1HD2 LEU 15 19.175 -2.730 2.603 113 2HD2 LEU 15 2HD2 LEU 15 20.524 -1.869 3.295 114 3HD2 LEU 15 3HD2 LEU 15 20.811 -3.170 2.146 115 H LYS 16 H LYS 16 23.417 1.614 3.220 116 HA LYS 16 HA LYS 16 25.803 2.018 2.550 117 1HB LYS 16 1HB LYS 16 25.065 0.686 5.170 118 2HB LYS 16 2HB LYS 16 26.599 1.507 4.953 119 1HG LYS 16 1HG LYS 16 25.573 3.613 4.649 120 2HG LYS 16 2HG LYS 16 24.006 2.958 4.229 121 1HD LYS 16 1HD LYS 16 24.010 1.973 6.669 122 2HD LYS 16 2HD LYS 16 25.311 3.123 6.957 123 1HE LYS 16 1HE LYS 16 23.852 4.959 6.152 124 2HE LYS 16 2HE LYS 16 22.588 3.790 5.779 125 1HZ LYS 16 1HZ LYS 16 21.906 3.879 7.903 126 2HZ LYS 16 2HZ LYS 16 23.096 5.029 8.262 127 3HZ LYS 16 3HZ LYS 16 23.425 3.389 8.468 128 H THR 17 H THR 17 25.109 -1.275 2.842 129 HA THR 17 HA THR 17 27.959 -2.061 2.542 130 HB THR 17 HB THR 17 25.567 -3.853 3.106 131 HG1 THR 17 HG1 THR 17 25.756 -3.098 5.105 132 1HG2 THR 17 1HG2 THR 17 27.871 -4.898 2.385 133 2HG2 THR 17 2HG2 THR 17 27.419 -5.304 4.036 134 3HG2 THR 17 3HG2 THR 17 28.580 -4.035 3.745 135 H LYS 18 H LYS 18 27.712 -1.325 0.692 136 HA LYS 18 HA LYS 18 26.782 -1.325 -1.886 137 1HB LYS 18 1HB LYS 18 29.492 -2.456 -1.295 138 2HB LYS 18 2HB LYS 18 29.092 -1.681 -2.832 139 1HG LYS 18 1HG LYS 18 28.625 0.412 -1.450 140 2HG LYS 18 2HG LYS 18 29.211 -0.425 -0.040 141 1HD LYS 18 1HD LYS 18 31.257 -0.824 -1.977 142 2HD LYS 18 2HD LYS 18 30.786 0.845 -2.175 143 1HE LYS 18 1HE LYS 18 31.713 -0.494 0.404 144 2HE LYS 18 2HE LYS 18 32.595 0.713 -0.526 145 1HZ LYS 18 1HZ LYS 18 31.474 2.341 0.604 146 2HZ LYS 18 2HZ LYS 18 30.604 1.159 1.461 147 3HZ LYS 18 3HZ LYS 18 30.009 1.740 0.013 148 HA PRO 19 HA PRO 19 25.421 -5.745 -1.747 149 1HB PRO 19 1HB PRO 19 23.532 -4.460 -3.716 150 2HB PRO 19 2HB PRO 19 23.227 -5.731 -2.549 151 1HG PRO 19 1HG PRO 19 22.537 -3.218 -1.839 152 2HG PRO 19 2HG PRO 19 23.506 -4.115 -0.660 153 1HD PRO 19 1HD PRO 19 24.565 -2.134 -2.689 154 2HD PRO 19 2HD PRO 19 24.860 -2.207 -0.935 155 H ALA 20 H ALA 20 24.926 -7.475 -3.560 156 HA ALA 20 HA ALA 20 27.249 -7.374 -5.267 157 1HB ALA 20 1HB ALA 20 26.431 -9.626 -5.946 158 2HB ALA 20 2HB ALA 20 24.932 -9.365 -5.065 159 3HB ALA 20 3HB ALA 20 26.453 -9.474 -4.195 160 H ASP 21 H ASP 21 27.366 -6.536 -7.175 161 HA ASP 21 HA ASP 21 25.729 -4.954 -8.590 162 1HB ASP 21 1HB ASP 21 27.658 -7.103 -9.627 163 2HB ASP 21 2HB ASP 21 27.049 -5.790 -10.629 164 H GLU 22 H GLU 22 25.460 -8.530 -9.074 165 HA GLU 22 HA GLU 22 23.366 -8.309 -10.953 166 1HB GLU 22 1HB GLU 22 23.909 -10.542 -8.868 167 2HB GLU 22 2HB GLU 22 22.785 -10.746 -10.182 168 1HG GLU 22 1HG GLU 22 24.638 -10.536 -11.832 169 2HG GLU 22 2HG GLU 22 25.792 -10.302 -10.536 170 H GLU 23 H GLU 23 23.119 -8.907 -7.413 171 HA GLU 23 HA GLU 23 20.271 -8.587 -7.315 172 1HB GLU 23 1HB GLU 23 22.447 -8.310 -5.126 173 2HB GLU 23 2HB GLU 23 20.746 -8.189 -4.793 174 1HG GLU 23 1HG GLU 23 20.675 -10.569 -6.200 175 2HG GLU 23 2HG GLU 23 22.352 -10.624 -5.704 176 H MET 24 H MET 24 22.838 -6.246 -7.518 177 HA MET 24 HA MET 24 21.297 -3.913 -6.665 178 1HB MET 24 1HB MET 24 23.826 -4.308 -8.347 179 2HB MET 24 2HB MET 24 23.265 -2.712 -8.054 180 1HG MET 24 1HG MET 24 23.515 -3.198 -5.587 181 2HG MET 24 2HG MET 24 24.199 -4.741 -6.013 182 1HE MET 24 1HE MET 24 24.499 -1.335 -5.244 183 2HE MET 24 2HE MET 24 25.326 -0.626 -6.636 184 3HE MET 24 3HE MET 24 26.219 -1.069 -5.171 185 H LEU 25 H LEU 25 22.423 -5.154 -9.769 186 HA LEU 25 HA LEU 25 21.114 -3.806 -11.687 187 1HB LEU 25 1HB LEU 25 22.088 -6.550 -11.250 188 2HB LEU 25 2HB LEU 25 21.053 -6.425 -12.581 189 HG LEU 25 HG LEU 25 23.785 -5.214 -12.048 190 1HD1 LEU 25 1HD1 LEU 25 24.241 -6.416 -14.143 191 2HD1 LEU 25 2HD1 LEU 25 22.514 -6.710 -14.389 192 3HD1 LEU 25 3HD1 LEU 25 23.396 -7.486 -13.084 193 1HD2 LEU 25 1HD2 LEU 25 23.581 -3.917 -14.176 194 2HD2 LEU 25 2HD2 LEU 25 22.362 -3.332 -13.084 195 3HD2 LEU 25 3HD2 LEU 25 21.918 -4.449 -14.354 196 H PHE 26 H PHE 26 19.858 -6.462 -9.832 197 HA PHE 26 HA PHE 26 17.262 -6.617 -11.098 198 1HB PHE 26 1HB PHE 26 18.135 -8.342 -9.432 199 2HB PHE 26 2HB PHE 26 17.929 -7.186 -8.123 200 HD1 PHE 26 HD1 PHE 26 15.588 -6.183 -7.730 201 HD2 PHE 26 HD2 PHE 26 16.271 -9.534 -10.277 202 HE1 PHE 26 HE1 PHE 26 13.213 -6.722 -7.654 203 HE2 PHE 26 HE2 PHE 26 13.856 -10.062 -10.201 204 HZ PHE 26 HZ PHE 26 12.366 -8.636 -8.899 205 H ILE 27 H ILE 27 18.146 -5.113 -8.007 206 HA ILE 27 HA ILE 27 15.843 -3.572 -7.663 207 HB ILE 27 HB ILE 27 18.717 -3.410 -6.835 208 1HG1 ILE 27 1HG1 ILE 27 17.233 -4.886 -5.609 209 2HG1 ILE 27 2HG1 ILE 27 17.705 -3.558 -4.572 210 1HG2 ILE 27 1HG2 ILE 27 16.870 -1.114 -6.143 211 2HG2 ILE 27 2HG2 ILE 27 18.308 -1.032 -7.152 212 3HG2 ILE 27 3HG2 ILE 27 18.427 -1.418 -5.449 213 1HD1 ILE 27 1HD1 ILE 27 15.318 -4.039 -4.292 214 2HD1 ILE 27 2HD1 ILE 27 14.962 -3.727 -5.952 215 3HD1 ILE 27 3HD1 ILE 27 15.536 -2.428 -4.924 216 H TYR 28 H TYR 28 18.733 -2.429 -9.339 217 HA TYR 28 HA TYR 28 17.701 0.116 -10.155 218 1HB TYR 28 1HB TYR 28 20.116 -0.765 -10.434 219 2HB TYR 28 2HB TYR 28 19.569 -1.512 -11.911 220 HD1 TYR 28 HD1 TYR 28 19.939 1.734 -10.155 221 HD2 TYR 28 HD2 TYR 28 19.162 -0.085 -13.936 222 HE1 TYR 28 HE1 TYR 28 20.250 3.891 -11.279 223 HE2 TYR 28 HE2 TYR 28 19.457 2.110 -15.006 224 HH TYR 28 HH TYR 28 20.518 5.004 -13.313 225 H SER 29 H SER 29 17.747 -2.866 -12.094 226 HA SER 29 HA SER 29 16.311 -1.910 -14.349 227 1HB SER 29 1HB SER 29 15.571 -4.366 -14.669 228 2HB SER 29 2HB SER 29 17.288 -4.200 -14.351 229 HG SER 29 HG SER 29 16.915 -4.601 -12.207 230 H HIS 30 H HIS 30 15.029 -3.627 -11.596 231 HA HIS 30 HA HIS 30 12.275 -3.305 -12.257 232 1HB HIS 30 1HB HIS 30 13.877 -3.833 -9.712 233 2HB HIS 30 2HB HIS 30 12.114 -3.790 -9.665 234 HD1 HIS 30 HD1 HIS 30 14.727 -5.460 -11.893 235 HD2 HIS 30 HD2 HIS 30 11.030 -6.188 -10.278 236 HE1 HIS 30 HE1 HIS 30 14.072 -7.744 -12.593 237 H TYR 31 H TYR 31 14.286 -1.301 -9.932 238 HA TYR 31 HA TYR 31 12.564 0.652 -9.318 239 1HB TYR 31 1HB TYR 31 14.910 0.504 -8.551 240 2HB TYR 31 2HB TYR 31 15.480 1.001 -10.122 241 HD1 TYR 31 HD1 TYR 31 12.880 2.094 -7.624 242 HD2 TYR 31 HD2 TYR 31 16.001 3.240 -10.275 243 HE1 TYR 31 HE1 TYR 31 12.506 4.438 -7.021 244 HE2 TYR 31 HE2 TYR 31 15.597 5.624 -9.652 245 HH TYR 31 HH TYR 31 13.608 6.583 -7.098 246 H LYS 32 H LYS 32 14.597 0.651 -12.235 247 HA LYS 32 HA LYS 32 13.449 2.956 -13.433 248 1HB LYS 32 1HB LYS 32 14.925 0.545 -14.477 249 2HB LYS 32 2HB LYS 32 14.550 1.948 -15.441 250 1HG LYS 32 1HG LYS 32 16.070 2.205 -12.781 251 2HG LYS 32 2HG LYS 32 16.869 1.760 -14.240 252 1HD LYS 32 1HD LYS 32 17.031 4.226 -13.762 253 2HD LYS 32 2HD LYS 32 16.446 3.813 -15.348 254 1HE LYS 32 1HE LYS 32 15.294 5.771 -14.365 255 2HE LYS 32 2HE LYS 32 14.184 4.480 -14.781 256 1HZ LYS 32 1HZ LYS 32 13.419 4.656 -12.616 257 2HZ LYS 32 2HZ LYS 32 14.695 5.675 -12.240 258 3HZ LYS 32 3HZ LYS 32 14.950 4.026 -12.133 259 H GLN 33 H GLN 33 12.616 -0.377 -13.949 260 HA GLN 33 HA GLN 33 10.636 0.105 -15.995 261 1HB GLN 33 1HB GLN 33 11.233 -2.125 -15.969 262 2HB GLN 33 2HB GLN 33 11.717 -2.073 -14.283 263 1HG GLN 33 1HG GLN 33 9.825 -3.589 -14.570 264 2HG GLN 33 2HG GLN 33 9.468 -2.176 -13.580 265 1HE2 GLN 33 1HE2 GLN 33 7.133 -2.206 -14.143 266 2HE2 GLN 33 2HE2 GLN 33 6.655 -1.789 -15.742 267 H ALA 34 H ALA 34 10.447 -0.139 -12.495 268 HA ALA 34 HA ALA 34 7.615 0.322 -12.243 269 1HB ALA 34 1HB ALA 34 9.930 0.342 -10.329 270 2HB ALA 34 2HB ALA 34 8.857 -0.998 -10.645 271 3HB ALA 34 3HB ALA 34 8.251 0.428 -9.810 272 H THR 35 H THR 35 10.268 2.542 -12.557 273 HA THR 35 HA THR 35 8.535 4.835 -11.655 274 HB THR 35 HB THR 35 10.680 6.220 -11.556 275 HG1 THR 35 HG1 THR 35 11.717 3.669 -11.792 276 1HG2 THR 35 1HG2 THR 35 10.969 3.595 -10.002 277 2HG2 THR 35 2HG2 THR 35 9.971 4.944 -9.486 278 3HG2 THR 35 3HG2 THR 35 11.701 5.154 -9.641 279 H VAL 36 H VAL 36 11.037 4.208 -14.084 280 HA VAL 36 HA VAL 36 10.021 6.447 -15.753 281 HB VAL 36 HB VAL 36 12.399 4.559 -16.202 282 1HG1 VAL 36 1HG1 VAL 36 11.538 5.544 -18.379 283 2HG1 VAL 36 2HG1 VAL 36 13.088 6.239 -17.950 284 3HG1 VAL 36 3HG1 VAL 36 11.615 7.143 -17.668 285 1HG2 VAL 36 1HG2 VAL 36 12.158 7.463 -15.304 286 2HG2 VAL 36 2HG2 VAL 36 13.667 6.621 -15.544 287 3HG2 VAL 36 3HG2 VAL 36 12.565 6.130 -14.246 288 H GLY 37 H GLY 37 10.355 2.976 -16.234 289 1HA GLY 37 1HA GLY 37 8.796 1.610 -17.487 290 2HA GLY 37 2HA GLY 37 8.095 3.073 -18.179 291 H ASP 38 H ASP 38 8.168 2.307 -20.262 292 HA ASP 38 HA ASP 38 10.051 1.009 -21.624 293 1HB ASP 38 1HB ASP 38 7.976 3.039 -22.352 294 2HB ASP 38 2HB ASP 38 9.037 2.480 -23.634 295 H ILE 39 H ILE 39 12.039 1.526 -20.866 296 HA ILE 39 HA ILE 39 13.814 3.536 -20.903 297 HB ILE 39 HB ILE 39 14.265 1.017 -20.621 298 1HG1 ILE 39 1HG1 ILE 39 16.376 2.420 -22.312 299 2HG1 ILE 39 2HG1 ILE 39 16.037 2.872 -20.641 300 1HG2 ILE 39 1HG2 ILE 39 14.872 1.127 -23.621 301 2HG2 ILE 39 2HG2 ILE 39 13.524 0.304 -22.879 302 3HG2 ILE 39 3HG2 ILE 39 15.159 -0.202 -22.579 303 1HD1 ILE 39 1HD1 ILE 39 17.900 1.199 -20.659 304 2HD1 ILE 39 2HD1 ILE 39 16.934 0.088 -21.586 305 3HD1 ILE 39 3HD1 ILE 39 16.488 0.480 -19.945 306 H ASN 40 H ASN 40 13.647 5.416 -22.384 307 HA ASN 40 HA ASN 40 13.702 4.728 -25.312 308 1HB ASN 40 1HB ASN 40 12.893 7.255 -25.381 309 2HB ASN 40 2HB ASN 40 11.733 6.019 -24.922 310 1HD2 ASN 40 1HD2 ASN 40 11.361 5.707 -22.608 311 2HD2 ASN 40 2HD2 ASN 40 11.563 7.077 -21.592 312 H THR 41 H THR 41 15.749 4.738 -23.354 313 HA THR 41 HA THR 41 17.708 6.785 -24.225 314 HB THR 41 HB THR 41 18.953 6.111 -22.147 315 HG1 THR 41 HG1 THR 41 17.265 4.213 -21.280 316 1HG2 THR 41 1HG2 THR 41 17.238 6.239 -20.352 317 2HG2 THR 41 2HG2 THR 41 15.958 5.741 -21.445 318 3HG2 THR 41 3HG2 THR 41 16.687 7.321 -21.615 319 H GLU 42 H GLU 42 19.974 5.964 -24.684 320 HA GLU 42 HA GLU 42 19.804 3.289 -26.015 321 1HB GLU 42 1HB GLU 42 21.170 4.142 -27.773 322 2HB GLU 42 2HB GLU 42 20.052 5.437 -27.420 323 1HG GLU 42 1HG GLU 42 21.804 6.582 -26.014 324 2HG GLU 42 2HG GLU 42 22.895 5.262 -26.363 325 H ARG 43 H ARG 43 21.594 2.066 -26.074 326 HA ARG 43 HA ARG 43 22.780 1.171 -23.887 327 1HB ARG 43 1HB ARG 43 22.800 0.571 -26.450 328 2HB ARG 43 2HB ARG 43 24.424 1.230 -26.385 329 1HG ARG 43 1HG ARG 43 25.178 -0.427 -24.825 330 2HG ARG 43 2HG ARG 43 23.539 -0.816 -24.322 331 1HD ARG 43 1HD ARG 43 22.981 -1.750 -26.456 332 2HD ARG 43 2HD ARG 43 24.548 -1.331 -27.174 333 HE ARG 43 HE ARG 43 25.532 -2.878 -25.330 334 1HH1 ARG 43 1HH1 ARG 43 23.211 -3.315 -23.879 335 2HH1 ARG 43 2HH1 ARG 43 22.619 -4.828 -24.363 336 1HH2 ARG 43 1HH2 ARG 43 24.600 -4.599 -27.257 337 2HH2 ARG 43 2HH2 ARG 43 23.456 -5.623 -26.428 338 HA PRO 44 HA PRO 44 25.138 4.351 -21.675 339 1HB PRO 44 1HB PRO 44 26.523 1.619 -21.322 340 2HB PRO 44 2HB PRO 44 26.526 2.958 -20.176 341 1HG PRO 44 1HG PRO 44 24.556 1.145 -20.061 342 2HG PRO 44 2HG PRO 44 24.082 2.841 -19.914 343 1HD PRO 44 1HD PRO 44 23.692 0.894 -22.123 344 2HD PRO 44 2HD PRO 44 22.764 2.381 -21.789 345 H GLY 45 H GLY 45 27.979 2.675 -22.478 346 1HA GLY 45 1HA GLY 45 29.351 3.476 -24.557 347 2HA GLY 45 2HA GLY 45 28.872 5.087 -24.082 348 H MET 46 H MET 46 30.080 6.120 -22.386 349 HA MET 46 HA MET 46 32.776 5.764 -22.078 350 1HB MET 46 1HB MET 46 30.851 6.532 -19.811 351 2HB MET 46 2HB MET 46 32.571 6.848 -19.803 352 1HG MET 46 1HG MET 46 31.402 8.850 -20.448 353 2HG MET 46 2HG MET 46 32.314 8.270 -21.809 354 1HE MET 46 1HE MET 46 28.802 9.244 -20.402 355 2HE MET 46 2HE MET 46 28.907 7.481 -20.196 356 3HE MET 46 3HE MET 46 27.775 8.154 -21.332 357 H LEU 47 H LEU 47 30.698 4.594 -19.711 358 HA LEU 47 HA LEU 47 32.658 2.455 -18.868 359 1HB LEU 47 1HB LEU 47 30.186 3.549 -17.469 360 2HB LEU 47 2HB LEU 47 30.954 2.086 -16.906 361 HG LEU 47 HG LEU 47 31.641 4.173 -15.622 362 1HD1 LEU 47 1HD1 LEU 47 33.191 2.215 -15.616 363 2HD1 LEU 47 2HD1 LEU 47 34.088 3.716 -15.596 364 3HD1 LEU 47 3HD1 LEU 47 33.954 2.802 -17.085 365 1HD2 LEU 47 1HD2 LEU 47 33.182 5.753 -16.662 366 2HD2 LEU 47 2HD2 LEU 47 31.653 5.734 -17.522 367 3HD2 LEU 47 3HD2 LEU 47 33.060 4.913 -18.189 368 H ASP 48 H ASP 48 32.195 0.359 -18.595 369 HA ASP 48 HA ASP 48 30.053 -0.656 -20.332 370 1HB ASP 48 1HB ASP 48 32.195 -1.130 -21.232 371 2HB ASP 48 2HB ASP 48 32.852 -1.651 -19.702 372 H PHE 49 H PHE 49 31.634 -2.976 -18.424 373 HA PHE 49 HA PHE 49 29.818 -4.668 -17.642 374 1HB PHE 49 1HB PHE 49 31.078 -5.131 -15.592 375 2HB PHE 49 2HB PHE 49 32.233 -4.410 -16.693 376 HD1 PHE 49 HD1 PHE 49 32.572 -1.803 -16.515 377 HD2 PHE 49 HD2 PHE 49 30.687 -4.175 -13.515 378 HE1 PHE 49 HE1 PHE 49 32.896 -0.009 -14.887 379 HE2 PHE 49 HE2 PHE 49 31.007 -2.377 -11.882 380 HZ PHE 49 HZ PHE 49 32.103 -0.279 -12.577 381 H LYS 50 H LYS 50 29.928 -1.947 -15.577 382 HA LYS 50 HA LYS 50 27.352 -2.623 -14.317 383 1HB LYS 50 1HB LYS 50 28.769 -1.450 -12.814 384 2HB LYS 50 2HB LYS 50 29.371 -0.354 -14.038 385 1HG LYS 50 1HG LYS 50 27.294 0.976 -13.948 386 2HG LYS 50 2HG LYS 50 26.460 -0.244 -13.031 387 1HD LYS 50 1HD LYS 50 27.031 1.649 -11.538 388 2HD LYS 50 2HD LYS 50 28.041 0.294 -11.061 389 1HE LYS 50 1HE LYS 50 29.938 1.278 -12.406 390 2HE LYS 50 2HE LYS 50 28.896 2.623 -12.853 391 1HZ LYS 50 1HZ LYS 50 29.474 3.653 -10.982 392 2HZ LYS 50 2HZ LYS 50 30.432 2.324 -10.481 393 3HZ LYS 50 3HZ LYS 50 28.778 2.419 -10.069 394 H GLY 51 H GLY 51 28.493 -0.030 -16.051 395 1HA GLY 51 1HA GLY 51 26.336 1.567 -16.823 396 2HA GLY 51 2HA GLY 51 27.622 1.240 -17.994 397 H LYS 52 H LYS 52 27.364 -0.962 -19.019 398 HA LYS 52 HA LYS 52 24.903 -1.011 -20.547 399 1HB LYS 52 1HB LYS 52 27.077 -3.117 -20.308 400 2HB LYS 52 2HB LYS 52 25.629 -3.449 -21.207 401 1HG LYS 52 1HG LYS 52 27.166 -2.778 -22.824 402 2HG LYS 52 2HG LYS 52 26.149 -1.365 -22.607 403 1HD LYS 52 1HD LYS 52 27.796 -0.264 -21.194 404 2HD LYS 52 2HD LYS 52 28.670 -1.773 -21.027 405 1HE LYS 52 1HE LYS 52 28.326 -0.439 -23.720 406 2HE LYS 52 2HE LYS 52 29.688 -0.040 -22.671 407 1HZ LYS 52 1HZ LYS 52 29.366 -2.816 -22.683 408 2HZ LYS 52 2HZ LYS 52 30.693 -2.010 -23.201 409 3HZ LYS 52 3HZ LYS 52 29.473 -2.353 -24.335 410 H ALA 53 H ALA 53 25.940 -2.917 -18.045 411 HA ALA 53 HA ALA 53 23.890 -4.906 -18.091 412 1HB ALA 53 1HB ALA 53 25.959 -5.213 -16.708 413 2HB ALA 53 2HB ALA 53 24.573 -5.367 -15.664 414 3HB ALA 53 3HB ALA 53 25.503 -3.879 -15.662 415 H LYS 54 H LYS 54 24.028 -1.932 -15.961 416 HA LYS 54 HA LYS 54 21.263 -2.393 -15.210 417 1HB LYS 54 1HB LYS 54 21.457 0.187 -14.639 418 2HB LYS 54 2HB LYS 54 22.285 -1.025 -13.697 419 1HG LYS 54 1HG LYS 54 24.310 -0.635 -14.632 420 2HG LYS 54 2HG LYS 54 23.704 0.198 -16.075 421 1HD LYS 54 1HD LYS 54 23.442 0.977 -13.191 422 2HD LYS 54 2HD LYS 54 24.808 1.418 -14.215 423 1HE LYS 54 1HE LYS 54 23.444 2.731 -15.746 424 2HE LYS 54 2HE LYS 54 21.944 2.143 -15.062 425 1HZ LYS 54 1HZ LYS 54 21.956 3.878 -13.659 426 2HZ LYS 54 2HZ LYS 54 23.206 4.538 -14.217 427 3HZ LYS 54 3HZ LYS 54 23.282 3.459 -12.906 428 H TRP 55 H TRP 55 22.402 -1.407 -18.427 429 HA TRP 55 HA TRP 55 19.984 0.183 -18.868 430 1HB TRP 55 1HB TRP 55 22.365 0.580 -20.022 431 2HB TRP 55 2HB TRP 55 22.106 -0.912 -20.877 432 HD1 TRP 55 HD1 TRP 55 20.331 2.532 -20.370 433 HE1 TRP 55 HE1 TRP 55 18.902 2.877 -22.399 434 HE3 TRP 55 HE3 TRP 55 21.127 -1.816 -22.722 435 HZ2 TRP 55 HZ2 TRP 55 18.142 1.476 -24.841 436 HZ3 TRP 55 HZ3 TRP 55 20.089 -2.343 -24.895 437 HH2 TRP 55 HH2 TRP 55 18.570 -0.707 -25.962 438 H ASP 56 H ASP 56 21.689 -2.689 -20.484 439 HA ASP 56 HA ASP 56 19.765 -4.086 -21.450 440 1HB ASP 56 1HB ASP 56 22.265 -4.526 -19.860 441 2HB ASP 56 2HB ASP 56 21.551 -5.962 -20.390 442 H ALA 57 H ALA 57 20.611 -4.692 -18.094 443 HA ALA 57 HA ALA 57 18.646 -6.419 -17.308 444 1HB ALA 57 1HB ALA 57 19.146 -5.538 -14.995 445 2HB ALA 57 2HB ALA 57 19.909 -4.130 -15.723 446 3HB ALA 57 3HB ALA 57 20.616 -5.722 -15.958 447 H TRP 58 H TRP 58 18.259 -3.002 -17.821 448 HA TRP 58 HA TRP 58 15.475 -2.960 -16.732 449 1HB TRP 58 1HB TRP 58 16.880 -1.024 -16.040 450 2HB TRP 58 2HB TRP 58 17.311 -0.726 -17.714 451 HD1 TRP 58 HD1 TRP 58 13.658 -1.609 -16.754 452 HE1 TRP 58 HE1 TRP 58 12.330 0.503 -17.298 453 HE3 TRP 58 HE3 TRP 58 17.339 1.601 -17.793 454 HZ2 TRP 58 HZ2 TRP 58 12.700 3.237 -18.063 455 HZ3 TRP 58 HZ3 TRP 58 16.895 3.980 -18.402 456 HH2 TRP 58 HH2 TRP 58 14.582 4.794 -18.530 457 H ASN 59 H ASN 59 17.242 -2.647 -19.642 458 HA ASN 59 HA ASN 59 15.149 -1.785 -21.451 459 1HB ASN 59 1HB ASN 59 17.653 -1.981 -22.090 460 2HB ASN 59 2HB ASN 59 17.433 -3.722 -22.122 461 1HD2 ASN 59 1HD2 ASN 59 18.027 -3.569 -24.495 462 2HD2 ASN 59 2HD2 ASN 59 16.775 -3.083 -25.562 463 H GLU 60 H GLU 60 16.291 -4.824 -20.340 464 HA GLU 60 HA GLU 60 14.580 -6.588 -21.678 465 1HB GLU 60 1HB GLU 60 16.754 -7.092 -20.569 466 2HB GLU 60 2HB GLU 60 16.028 -6.772 -19.010 467 1HG GLU 60 1HG GLU 60 14.480 -8.673 -19.283 468 2HG GLU 60 2HG GLU 60 15.013 -8.930 -20.935 469 H LEU 61 H LEU 61 13.743 -4.546 -19.104 470 HA LEU 61 HA LEU 61 11.236 -6.104 -18.573 471 1HB LEU 61 1HB LEU 61 12.390 -3.980 -16.721 472 2HB LEU 61 2HB LEU 61 11.185 -5.200 -16.362 473 HG LEU 61 HG LEU 61 14.169 -5.687 -16.842 474 1HD1 LEU 61 1HD1 LEU 61 13.468 -4.636 -14.667 475 2HD1 LEU 61 2HD1 LEU 61 14.113 -6.249 -14.462 476 3HD1 LEU 61 3HD1 LEU 61 12.380 -5.987 -14.398 477 1HD2 LEU 61 1HD2 LEU 61 11.913 -7.623 -16.145 478 2HD2 LEU 61 2HD2 LEU 61 13.627 -8.009 -16.241 479 3HD2 LEU 61 3HD2 LEU 61 12.759 -7.530 -17.683 480 H LYS 62 H LYS 62 12.510 -3.470 -20.049 481 HA LYS 62 HA LYS 62 11.559 -1.199 -19.844 482 1HB LYS 62 1HB LYS 62 12.756 -1.974 -21.722 483 2HB LYS 62 2HB LYS 62 11.449 -2.987 -22.288 484 1HG LYS 62 1HG LYS 62 10.163 -0.786 -22.654 485 2HG LYS 62 2HG LYS 62 11.630 0.042 -22.171 486 1HD LYS 62 1HD LYS 62 11.880 0.023 -24.523 487 2HD LYS 62 2HD LYS 62 12.842 -1.356 -24.025 488 1HE LYS 62 1HE LYS 62 11.508 -2.070 -25.855 489 2HE LYS 62 2HE LYS 62 10.877 -2.844 -24.405 490 1HZ LYS 62 1HZ LYS 62 8.882 -1.807 -24.763 491 2HZ LYS 62 2HZ LYS 62 9.504 -1.069 -26.141 492 3HZ LYS 62 3HZ LYS 62 9.553 -0.347 -24.613 493 H GLY 63 H GLY 63 9.170 -3.539 -20.760 494 1HA GLY 63 1HA GLY 63 7.122 -1.403 -20.360 495 2HA GLY 63 2HA GLY 63 7.013 -2.516 -21.710 496 H THR 64 H THR 64 7.824 -2.894 -18.330 497 HA THR 64 HA THR 64 5.862 -5.165 -18.130 498 HB THR 64 HB THR 64 8.215 -4.293 -16.360 499 HG1 THR 64 HG1 THR 64 8.566 -5.227 -18.245 500 1HG2 THR 64 1HG2 THR 64 6.435 -5.554 -14.873 501 2HG2 THR 64 2HG2 THR 64 7.943 -6.380 -15.141 502 3HG2 THR 64 3HG2 THR 64 6.551 -6.841 -16.080 503 H SER 65 H SER 65 4.836 -5.232 -15.774 504 HA SER 65 HA SER 65 3.321 -2.721 -15.572 505 1HB SER 65 1HB SER 65 2.095 -4.085 -13.806 506 2HB SER 65 2HB SER 65 1.984 -4.780 -15.441 507 HG SER 65 HG SER 65 2.868 -6.102 -13.459 508 H LYS 66 H LYS 66 4.145 -1.252 -14.435 509 HA LYS 66 HA LYS 66 6.349 -1.155 -12.874 510 1HB LYS 66 1HB LYS 66 3.670 0.276 -12.715 511 2HB LYS 66 2HB LYS 66 5.087 0.850 -11.838 512 1HG LYS 66 1HG LYS 66 6.186 1.589 -13.741 513 2HG LYS 66 2HG LYS 66 5.713 0.242 -14.723 514 1HD LYS 66 1HD LYS 66 4.745 2.265 -15.631 515 2HD LYS 66 2HD LYS 66 3.440 1.272 -15.012 516 1HE LYS 66 1HE LYS 66 3.329 2.601 -12.948 517 2HE LYS 66 2HE LYS 66 4.735 3.540 -13.448 518 1HZ LYS 66 1HZ LYS 66 3.418 4.872 -14.625 519 2HZ LYS 66 2HZ LYS 66 2.033 4.024 -14.095 520 3HZ LYS 66 3HZ LYS 66 2.794 3.602 -15.546 521 H GLU 67 H GLU 67 3.198 -1.805 -11.701 522 HA GLU 67 HA GLU 67 3.635 -2.252 -9.047 523 1HB GLU 67 1HB GLU 67 1.717 -3.325 -11.146 524 2HB GLU 67 2HB GLU 67 1.490 -3.726 -9.486 525 1HG GLU 67 1HG GLU 67 1.433 -1.183 -8.942 526 2HG GLU 67 2HG GLU 67 1.491 -0.869 -10.660 527 H ASP 68 H ASP 68 3.801 -5.035 -11.505 528 HA ASP 68 HA ASP 68 4.407 -6.866 -9.430 529 1HB ASP 68 1HB ASP 68 4.690 -6.672 -12.425 530 2HB ASP 68 2HB ASP 68 5.248 -8.087 -11.628 531 H ALA 69 H ALA 69 6.204 -4.861 -11.412 532 HA ALA 69 HA ALA 69 8.846 -5.847 -10.766 533 1HB ALA 69 1HB ALA 69 7.971 -2.985 -11.554 534 2HB ALA 69 2HB ALA 69 8.329 -4.287 -12.661 535 3HB ALA 69 3HB ALA 69 9.609 -3.606 -11.659 536 H MET 70 H MET 70 6.842 -3.177 -9.497 537 HA MET 70 HA MET 70 8.407 -2.487 -7.250 538 1HB MET 70 1HB MET 70 5.307 -2.614 -7.539 539 2HB MET 70 2HB MET 70 6.080 -1.823 -6.204 540 1HG MET 70 1HG MET 70 6.896 -0.109 -7.551 541 2HG MET 70 2HG MET 70 6.769 -0.991 -9.016 542 1HE MET 70 1HE MET 70 5.333 2.407 -8.188 543 2HE MET 70 2HE MET 70 4.861 1.963 -9.839 544 3HE MET 70 3HE MET 70 6.439 1.520 -9.230 545 H LYS 71 H LYS 71 5.825 -4.894 -7.188 546 HA LYS 71 HA LYS 71 6.139 -5.826 -4.613 547 1HB LYS 71 1HB LYS 71 5.788 -7.548 -7.144 548 2HB LYS 71 2HB LYS 71 5.399 -8.107 -5.529 549 1HG LYS 71 1HG LYS 71 3.564 -6.573 -5.336 550 2HG LYS 71 2HG LYS 71 4.111 -5.591 -6.663 551 1HD LYS 71 1HD LYS 71 3.744 -8.031 -7.980 552 2HD LYS 71 2HD LYS 71 2.601 -8.201 -6.671 553 1HE LYS 71 1HE LYS 71 1.316 -6.318 -7.326 554 2HE LYS 71 2HE LYS 71 2.604 -5.639 -8.285 555 1HZ LYS 71 1HZ LYS 71 1.789 -6.732 -10.103 556 2HZ LYS 71 2HZ LYS 71 0.559 -7.350 -9.176 557 3HZ LYS 71 3HZ LYS 71 2.002 -8.212 -9.381 558 H ALA 72 H ALA 72 7.802 -7.361 -7.340 559 HA ALA 72 HA ALA 72 9.718 -8.745 -5.723 560 1HB ALA 72 1HB ALA 72 9.243 -9.170 -8.135 561 2HB ALA 72 2HB ALA 72 10.942 -9.047 -7.777 562 3HB ALA 72 3HB ALA 72 10.095 -7.698 -8.585 563 H TYR 73 H TYR 73 10.064 -5.471 -7.159 564 HA TYR 73 HA TYR 73 12.706 -4.912 -6.473 565 1HB TYR 73 1HB TYR 73 11.275 -3.381 -7.802 566 2HB TYR 73 2HB TYR 73 10.251 -3.103 -6.417 567 HD1 TYR 73 HD1 TYR 73 10.913 -1.507 -4.669 568 HD2 TYR 73 HD2 TYR 73 13.616 -2.574 -7.777 569 HE1 TYR 73 HE1 TYR 73 12.426 0.315 -3.998 570 HE2 TYR 73 HE2 TYR 73 15.105 -0.783 -7.085 571 HH TYR 73 HH TYR 73 15.328 1.055 -5.780 572 H ILE 74 H ILE 74 9.857 -4.200 -4.619 573 HA ILE 74 HA ILE 74 11.075 -3.370 -2.197 574 HB ILE 74 HB ILE 74 8.360 -4.682 -2.679 575 1HG1 ILE 74 1HG1 ILE 74 8.954 -1.725 -2.481 576 2HG1 ILE 74 2HG1 ILE 74 8.876 -2.548 -4.026 577 1HG2 ILE 74 1HG2 ILE 74 9.083 -4.539 -0.213 578 2HG2 ILE 74 2HG2 ILE 74 7.776 -3.429 -0.528 579 3HG2 ILE 74 3HG2 ILE 74 9.413 -2.819 -0.406 580 1HD1 ILE 74 1HD1 ILE 74 6.609 -2.438 -1.967 581 2HD1 ILE 74 2HD1 ILE 74 6.560 -3.352 -3.458 582 3HD1 ILE 74 3HD1 ILE 74 6.628 -1.604 -3.494 583 H ASP 75 H ASP 75 10.055 -6.578 -3.255 584 HA ASP 75 HA ASP 75 10.701 -7.911 -0.760 585 1HB ASP 75 1HB ASP 75 9.782 -8.529 -3.530 586 2HB ASP 75 2HB ASP 75 10.397 -9.863 -2.634 587 H LYS 76 H LYS 76 12.467 -6.858 -3.470 588 HA LYS 76 HA LYS 76 14.734 -8.684 -2.995 589 1HB LYS 76 1HB LYS 76 14.165 -7.971 -5.333 590 2HB LYS 76 2HB LYS 76 14.512 -6.310 -4.975 591 1HG LYS 76 1HG LYS 76 16.603 -7.223 -5.910 592 2HG LYS 76 2HG LYS 76 16.889 -7.120 -4.182 593 1HD LYS 76 1HD LYS 76 16.100 -9.621 -4.019 594 2HD LYS 76 2HD LYS 76 16.152 -9.628 -5.751 595 1HE LYS 76 1HE LYS 76 18.341 -10.121 -5.684 596 2HE LYS 76 2HE LYS 76 18.654 -8.574 -4.920 597 1HZ LYS 76 1HZ LYS 76 18.778 -11.166 -3.750 598 2HZ LYS 76 2HZ LYS 76 17.604 -10.387 -2.937 599 3HZ LYS 76 3HZ LYS 76 19.203 -9.744 -3.028 600 H VAL 77 H VAL 77 13.854 -5.326 -2.769 601 HA VAL 77 HA VAL 77 16.104 -4.186 -1.426 602 HB VAL 77 HB VAL 77 13.085 -3.593 -0.912 603 1HG1 VAL 77 1HG1 VAL 77 14.588 -2.891 0.989 604 2HG1 VAL 77 2HG1 VAL 77 13.915 -1.496 0.168 605 3HG1 VAL 77 3HG1 VAL 77 15.566 -1.977 -0.143 606 1HG2 VAL 77 1HG2 VAL 77 13.875 -3.004 -3.243 607 2HG2 VAL 77 2HG2 VAL 77 15.186 -2.080 -2.537 608 3HG2 VAL 77 3HG2 VAL 77 13.536 -1.550 -2.343 609 H GLU 78 H GLU 78 13.211 -5.825 -0.174 610 HA GLU 78 HA GLU 78 13.989 -6.093 2.472 611 1HB GLU 78 1HB GLU 78 11.972 -7.146 0.729 612 2HB GLU 78 2HB GLU 78 12.632 -8.558 1.515 613 1HG GLU 78 1HG GLU 78 11.749 -5.995 3.009 614 2HG GLU 78 2HG GLU 78 10.747 -7.426 2.849 615 H GLU 79 H GLU 79 14.686 -8.463 -0.223 616 HA GLU 79 HA GLU 79 16.309 -10.267 0.997 617 1HB GLU 79 1HB GLU 79 16.019 -9.069 -1.643 618 2HB GLU 79 2HB GLU 79 17.653 -9.570 -1.371 619 1HG GLU 79 1HG GLU 79 15.267 -11.272 -0.776 620 2HG GLU 79 2HG GLU 79 15.919 -11.279 -2.411 621 H LEU 80 H LEU 80 17.336 -7.276 -0.315 622 HA LEU 80 HA LEU 80 20.137 -7.356 0.310 623 1HB LEU 80 1HB LEU 80 18.195 -5.077 -0.311 624 2HB LEU 80 2HB LEU 80 19.919 -4.858 -0.189 625 HG LEU 80 HG LEU 80 18.573 -6.691 -2.222 626 1HD1 LEU 80 1HD1 LEU 80 19.947 -3.972 -2.490 627 2HD1 LEU 80 2HD1 LEU 80 18.203 -4.204 -2.542 628 3HD1 LEU 80 3HD1 LEU 80 19.230 -4.897 -3.798 629 1HD2 LEU 80 1HD2 LEU 80 20.932 -7.360 -1.571 630 2HD2 LEU 80 2HD2 LEU 80 21.407 -5.684 -1.777 631 3HD2 LEU 80 3HD2 LEU 80 20.943 -6.645 -3.172 632 H LYS 81 H LYS 81 17.369 -6.000 1.831 633 HA LYS 81 HA LYS 81 18.622 -4.632 4.025 634 1HB LYS 81 1HB LYS 81 16.228 -4.270 3.351 635 2HB LYS 81 2HB LYS 81 15.816 -5.925 3.690 636 1HG LYS 81 1HG LYS 81 16.116 -5.706 6.046 637 2HG LYS 81 2HG LYS 81 16.845 -4.132 5.900 638 1HD LYS 81 1HD LYS 81 13.902 -4.862 5.359 639 2HD LYS 81 2HD LYS 81 14.559 -3.935 6.694 640 1HE LYS 81 1HE LYS 81 15.409 -2.278 4.850 641 2HE LYS 81 2HE LYS 81 14.256 -3.097 3.809 642 1HZ LYS 81 1HZ LYS 81 12.628 -1.822 4.788 643 2HZ LYS 81 2HZ LYS 81 13.758 -1.126 5.730 644 3HZ LYS 81 3HZ LYS 81 13.008 -2.540 6.306 645 H LYS 82 H LYS 82 17.102 -7.814 3.846 646 HA LYS 82 HA LYS 82 17.847 -8.708 6.340 647 1HB LYS 82 1HB LYS 82 17.418 -10.065 3.684 648 2HB LYS 82 2HB LYS 82 17.574 -10.967 5.183 649 1HG LYS 82 1HG LYS 82 15.583 -9.771 6.125 650 2HG LYS 82 2HG LYS 82 15.534 -8.685 4.775 651 1HD LYS 82 1HD LYS 82 13.854 -10.601 4.660 652 2HD LYS 82 2HD LYS 82 14.813 -10.304 3.232 653 1HE LYS 82 1HE LYS 82 14.630 -12.755 3.800 654 2HE LYS 82 2HE LYS 82 16.291 -12.196 3.748 655 1HZ LYS 82 1HZ LYS 82 15.259 -11.663 6.291 656 2HZ LYS 82 2HZ LYS 82 16.504 -12.764 5.972 657 3HZ LYS 82 3HZ LYS 82 14.893 -13.288 5.976 658 H LYS 83 H LYS 83 19.679 -8.561 3.522 659 HA LYS 83 HA LYS 83 21.943 -10.143 4.522 660 1HB LYS 83 1HB LYS 83 21.509 -8.502 1.980 661 2HB LYS 83 2HB LYS 83 22.946 -9.453 2.280 662 1HG LYS 83 1HG LYS 83 21.669 -11.509 2.384 663 2HG LYS 83 2HG LYS 83 20.157 -10.644 2.419 664 1HD LYS 83 1HD LYS 83 20.245 -9.991 0.194 665 2HD LYS 83 2HD LYS 83 21.958 -10.283 -0.033 666 1HE LYS 83 1HE LYS 83 21.386 -12.766 0.549 667 2HE LYS 83 2HE LYS 83 19.699 -12.303 0.351 668 1HZ LYS 83 1HZ LYS 83 21.536 -12.942 -1.730 669 2HZ LYS 83 2HZ LYS 83 21.129 -11.318 -1.884 670 3HZ LYS 83 3HZ LYS 83 19.930 -12.440 -1.854 671 H TYR 84 H TYR 84 21.364 -6.704 3.961 672 HA TYR 84 HA TYR 84 24.021 -6.087 5.068 673 1HB TYR 84 1HB TYR 84 21.959 -4.508 3.474 674 2HB TYR 84 2HB TYR 84 23.542 -3.869 3.922 675 HD1 TYR 84 HD1 TYR 84 22.004 -5.258 1.116 676 HD2 TYR 84 HD2 TYR 84 25.412 -6.015 3.617 677 HE1 TYR 84 HE1 TYR 84 23.099 -6.526 -0.655 678 HE2 TYR 84 HE2 TYR 84 26.442 -7.250 1.794 679 HH TYR 84 HH TYR 84 26.307 -7.262 -0.589 680 H GLY 85 H GLY 85 20.762 -5.725 6.371 681 1HA GLY 85 1HA GLY 85 20.664 -5.311 8.734 682 2HA GLY 85 2HA GLY 85 22.119 -4.395 8.651 683 H ILE 86 H ILE 86 19.171 -3.572 6.695 684 HA ILE 86 HA ILE 86 18.997 -1.252 8.573 685 HB ILE 86 HB ILE 86 19.988 -0.732 6.387 686 1HG1 ILE 86 1HG1 ILE 86 17.109 0.244 6.713 687 2HG1 ILE 86 2HG1 ILE 86 18.437 0.898 7.629 688 1HG2 ILE 86 1HG2 ILE 86 18.740 -0.861 4.271 689 2HG2 ILE 86 2HG2 ILE 86 17.388 -1.632 5.060 690 3HG2 ILE 86 3HG2 ILE 86 18.920 -2.460 4.964 691 1HD1 ILE 86 1HD1 ILE 86 19.466 1.675 5.425 692 2HD1 ILE 86 2HD1 ILE 86 17.917 2.435 5.755 693 3HD1 ILE 86 3HD1 ILE 86 18.019 1.129 4.589 694 AH2 COA 1 AH2 COA 1 17.545 0.975 -8.233 695 AH61 COA 1 AH61 COA 1 15.352 2.444 -4.725 696 AH62 COA 1 AH62 COA 1 15.930 4.064 -4.348 697 AH8 COA 1 AH8 COA 1 18.468 7.242 -7.137 698 AH1* COA 1 AH1* COA 1 19.065 4.903 -10.050 699 AH2* COA 1 AH2* COA 1 19.510 7.620 -8.842 700 AHO2 COA 1 AHO2 COA 1 19.550 7.206 -11.489 701 AH3* COA 1 AH3* COA 1 21.662 7.722 -9.984 702 AH4* COA 1 AH4* COA 1 22.403 5.078 -9.537 703 AH51 COA 1 AH51 COA 1 22.705 5.621 -7.233 704 AH52 COA 1 AH52 COA 1 23.108 7.007 -8.197 705 1H12 COA 1 1H12 COA 1 24.521 8.570 -3.447 706 2H12 COA 1 2H12 COA 1 23.408 7.530 -2.618 707 1H13 COA 1 1H13 COA 1 23.776 7.351 -6.238 708 2H13 COA 1 2H13 COA 1 25.382 7.843 -5.794 709 3H13 COA 1 3H13 COA 1 25.077 6.212 -6.386 710 1H14 COA 1 1H14 COA 1 23.030 5.212 -3.318 711 2H14 COA 1 2H14 COA 1 23.608 4.651 -4.889 712 3H14 COA 1 3H14 COA 1 22.371 5.892 -4.806 713 H10 COA 1 H10 COA 1 26.436 6.873 -3.806 714 HO1 COA 1 HO1 COA 1 25.479 5.087 -5.246 715 HN8 COA 1 HN8 COA 1 25.145 4.025 -2.783 716 1H7 COA 1 1H7 COA 1 24.604 4.618 0.022 717 2H7 COA 1 2H7 COA 1 24.714 2.991 -0.625 718 1H6 COA 1 1H6 COA 1 27.027 4.906 0.020 719 2H6 COA 1 2H6 COA 1 26.697 3.425 0.895 720 HN4 COA 1 HN4 COA 1 26.953 3.983 -2.672 721 1H3 COA 1 1H3 COA 1 29.522 3.157 -3.148 722 2H3 COA 1 2H3 COA 1 28.596 1.654 -3.021 723 1H2 COA 1 1H2 COA 1 28.688 2.549 -5.367 724 2H2 COA 1 2H2 COA 1 27.915 3.996 -4.808 725 1H2 PLY 2 1H2 PLY 2 24.612 1.778 -2.080 726 2H2 PLY 2 2H2 PLY 2 24.124 2.572 -3.585 727 1H3 PLY 2 1H3 PLY 2 23.909 -0.402 -3.231 728 2H3 PLY 2 2H3 PLY 2 22.735 0.602 -2.440 729 1H4 PLY 2 1H4 PLY 2 23.192 1.040 -5.506 730 2H4 PLY 2 2H4 PLY 2 21.762 1.437 -4.590 731 1H5 PLY 2 1H5 PLY 2 22.388 -1.430 -4.908 732 2H5 PLY 2 2H5 PLY 2 20.873 -0.609 -4.563 733 1H6 PLY 2 1H6 PLY 2 20.923 -1.457 -6.864 734 2H6 PLY 2 2H6 PLY 2 22.391 -0.592 -7.212 735 1H7 PLY 2 1H7 PLY 2 19.705 0.722 -6.569 736 2H7 PLY 2 2H7 PLY 2 20.261 0.407 -8.189 737 1H8 PLY 2 1H8 PLY 2 20.673 2.734 -7.752 738 2H8 PLY 2 2H8 PLY 2 21.398 2.469 -6.222 739 1H9 PLY 2 1H9 PLY 2 23.339 1.272 -7.494 740 2H9 PLY 2 2H9 PLY 2 23.132 2.975 -7.803 741 1HA PLY 2 1HA PLY 2 21.957 0.855 -9.631 742 2HA PLY 2 2HA PLY 2 22.098 2.595 -9.912 743 1HB PLY 2 1HB PLY 2 24.651 2.282 -9.461 744 2HB PLY 2 2HB PLY 2 23.999 1.874 -11.019 745 1HC PLY 2 1HC PLY 2 24.124 -0.333 -8.880 746 2HC PLY 2 2HC PLY 2 25.590 0.080 -9.751 747 1HD PLY 2 1HD PLY 2 22.909 -0.474 -11.102 748 2HD PLY 2 2HD PLY 2 24.429 -0.192 -11.891 749 1HE PLY 2 1HE PLY 2 23.808 -2.477 -11.866 750 2HE PLY 2 2HE PLY 2 23.885 -2.526 -10.093 751 1HF PLY 2 1HF PLY 2 26.248 -2.471 -10.080 752 2HF PLY 2 2HF PLY 2 26.356 -1.488 -11.529 753 1HG PLY 2 1HG PLY 2 25.724 -3.498 -12.860 754 2HG PLY 2 2HG PLY 2 27.203 -3.711 -11.922 755 3HG PLY 2 3HG PLY 2 25.686 -4.430 -11.368 Start of MODEL 20 1 1H SER 1 1H SER 1 -0.436 4.698 -8.284 2 2H SER 1 2H SER 1 1.060 4.146 -8.830 3 H SER 1 H SER 1 0.133 3.191 -7.759 4 HA SER 1 HA SER 1 1.996 5.271 -7.101 5 1HB SER 1 1HB SER 1 -0.698 5.855 -5.795 6 2HB SER 1 2HB SER 1 0.644 6.958 -6.139 7 HG SER 1 HG SER 1 -0.637 7.382 -7.862 8 H GLN 2 H GLN 2 2.182 2.635 -6.677 9 HA GLN 2 HA GLN 2 0.969 1.825 -4.154 10 1HB GLN 2 1HB GLN 2 1.279 0.349 -6.102 11 2HB GLN 2 2HB GLN 2 3.019 0.560 -5.994 12 1HG GLN 2 1HG GLN 2 2.376 -0.296 -3.390 13 2HG GLN 2 2HG GLN 2 1.182 -1.136 -4.348 14 1HE2 GLN 2 1HE2 GLN 2 4.501 -1.004 -3.479 15 2HE2 GLN 2 2HE2 GLN 2 4.946 -2.354 -4.441 16 H ALA 3 H ALA 3 2.037 3.836 -3.318 17 HA ALA 3 HA ALA 3 4.391 4.701 -2.540 18 1HB ALA 3 1HB ALA 3 3.641 5.007 -0.219 19 2HB ALA 3 2HB ALA 3 2.345 3.853 -0.472 20 3HB ALA 3 3HB ALA 3 2.374 5.354 -1.380 21 H GLU 4 H GLU 4 3.584 1.454 -1.421 22 HA GLU 4 HA GLU 4 5.552 0.979 0.461 23 1HB GLU 4 1HB GLU 4 4.073 -0.685 -1.592 24 2HB GLU 4 2HB GLU 4 5.249 -1.451 -0.594 25 1HG GLU 4 1HG GLU 4 3.972 -0.689 1.464 26 2HG GLU 4 2HG GLU 4 2.765 0.024 0.406 27 H PHE 5 H PHE 5 5.619 0.847 -2.782 28 HA PHE 5 HA PHE 5 8.290 -0.164 -3.247 29 1HB PHE 5 1HB PHE 5 6.691 -0.459 -4.924 30 2HB PHE 5 2HB PHE 5 6.092 1.178 -4.681 31 HD1 PHE 5 HD1 PHE 5 9.130 -0.700 -5.758 32 HD2 PHE 5 HD2 PHE 5 6.951 2.909 -6.109 33 HE1 PHE 5 HE1 PHE 5 10.774 0.121 -7.409 34 HE2 PHE 5 HE2 PHE 5 8.566 3.745 -7.732 35 HZ PHE 5 HZ PHE 5 10.499 2.343 -8.381 36 H ASP 6 H ASP 6 6.865 2.975 -3.736 37 HA ASP 6 HA ASP 6 9.104 4.458 -4.296 38 1HB ASP 6 1HB ASP 6 6.628 5.235 -2.623 39 2HB ASP 6 2HB ASP 6 7.527 6.289 -3.671 40 H LYS 7 H LYS 7 7.719 3.965 -1.234 41 HA LYS 7 HA LYS 7 9.851 5.295 0.226 42 1HB LYS 7 1HB LYS 7 7.660 4.793 1.343 43 2HB LYS 7 2HB LYS 7 7.992 3.067 1.247 44 1HG LYS 7 1HG LYS 7 10.017 3.267 2.596 45 2HG LYS 7 2HG LYS 7 9.974 5.012 2.506 46 1HD LYS 7 1HD LYS 7 8.121 5.189 3.974 47 2HD LYS 7 2HD LYS 7 7.779 3.458 3.908 48 1HE LYS 7 1HE LYS 7 9.749 2.903 5.094 49 2HE LYS 7 2HE LYS 7 10.519 4.449 4.767 50 1HZ LYS 7 1HZ LYS 7 8.117 4.896 6.177 51 2HZ LYS 7 2HZ LYS 7 9.723 5.248 6.620 52 3HZ LYS 7 3HZ LYS 7 9.049 3.737 7.034 53 H ALA 8 H ALA 8 9.353 1.853 -0.726 54 HA ALA 8 HA ALA 8 11.604 0.759 0.566 55 1HB ALA 8 1HB ALA 8 9.893 -0.494 -0.813 56 2HB ALA 8 2HB ALA 8 11.512 -0.980 -1.262 57 3HB ALA 8 3HB ALA 8 10.601 0.109 -2.293 58 H ALA 9 H ALA 9 11.393 2.728 -2.422 59 HA ALA 9 HA ALA 9 14.158 2.585 -3.111 60 1HB ALA 9 1HB ALA 9 12.345 3.590 -4.506 61 2HB ALA 9 2HB ALA 9 13.677 4.726 -4.412 62 3HB ALA 9 3HB ALA 9 12.246 4.974 -3.455 63 H GLU 10 H GLU 10 12.628 4.964 -0.955 64 HA GLU 10 HA GLU 10 14.977 6.503 -0.221 65 1HB GLU 10 1HB GLU 10 12.530 5.629 1.434 66 2HB GLU 10 2HB GLU 10 13.724 6.727 2.068 67 1HG GLU 10 1HG GLU 10 13.118 8.442 0.426 68 2HG GLU 10 2HG GLU 10 12.029 7.352 -0.398 69 H GLU 11 H GLU 11 13.597 3.721 1.375 70 HA GLU 11 HA GLU 11 15.656 3.325 3.148 71 1HB GLU 11 1HB GLU 11 13.777 1.357 1.796 72 2HB GLU 11 2HB GLU 11 14.690 1.003 3.254 73 1HG GLU 11 1HG GLU 11 13.469 3.610 3.654 74 2HG GLU 11 2HG GLU 11 12.270 2.607 2.969 75 H VAL 12 H VAL 12 15.383 1.587 -0.068 76 HA VAL 12 HA VAL 12 17.868 0.252 0.128 77 HB VAL 12 HB VAL 12 15.800 0.375 -1.660 78 1HG1 VAL 12 1HG1 VAL 12 16.650 1.099 -3.875 79 2HG1 VAL 12 2HG1 VAL 12 18.127 1.697 -3.165 80 3HG1 VAL 12 3HG1 VAL 12 16.590 2.462 -2.789 81 1HG2 VAL 12 1HG2 VAL 12 17.360 -1.526 -1.411 82 2HG2 VAL 12 2HG2 VAL 12 18.587 -0.639 -2.329 83 3HG2 VAL 12 3HG2 VAL 12 17.100 -1.143 -3.103 84 H LYS 13 H LYS 13 17.267 3.553 -1.180 85 HA LYS 13 HA LYS 13 19.887 4.053 -2.009 86 1HB LYS 13 1HB LYS 13 17.647 5.719 -0.889 87 2HB LYS 13 2HB LYS 13 19.132 6.426 -1.416 88 1HG LYS 13 1HG LYS 13 18.708 5.108 -3.661 89 2HG LYS 13 2HG LYS 13 17.100 4.826 -3.038 90 1HD LYS 13 1HD LYS 13 16.880 6.843 -4.339 91 2HD LYS 13 2HD LYS 13 16.946 7.372 -2.674 92 1HE LYS 13 1HE LYS 13 19.320 7.883 -2.849 93 2HE LYS 13 2HE LYS 13 19.391 7.225 -4.481 94 1HZ LYS 13 1HZ LYS 13 18.814 9.229 -5.208 95 2HZ LYS 13 2HZ LYS 13 18.790 9.776 -3.697 96 3HZ LYS 13 3HZ LYS 13 17.306 9.169 -4.365 97 H HIS 14 H HIS 14 18.854 3.444 1.025 98 HA HIS 14 HA HIS 14 21.106 4.890 2.380 99 1HB HIS 14 1HB HIS 14 18.506 3.701 3.426 100 2HB HIS 14 2HB HIS 14 19.770 4.203 4.523 101 HD1 HIS 14 HD1 HIS 14 17.088 5.641 2.411 102 HD2 HIS 14 HD2 HIS 14 20.360 7.038 4.447 103 HE1 HIS 14 HE1 HIS 14 16.835 8.094 2.576 104 H LEU 15 H LEU 15 20.687 1.859 1.085 105 HA LEU 15 HA LEU 15 21.777 0.140 3.111 106 1HB LEU 15 1HB LEU 15 21.605 0.045 0.088 107 2HB LEU 15 2HB LEU 15 22.505 -1.206 0.901 108 HG LEU 15 HG LEU 15 19.578 -0.500 1.575 109 1HD1 LEU 15 1HD1 LEU 15 19.813 -1.393 -0.737 110 2HD1 LEU 15 2HD1 LEU 15 19.025 -2.567 0.315 111 3HD1 LEU 15 3HD1 LEU 15 20.708 -2.777 -0.133 112 1HD2 LEU 15 1HD2 LEU 15 21.281 -2.987 2.182 113 2HD2 LEU 15 2HD2 LEU 15 19.601 -2.751 2.629 114 3HD2 LEU 15 3HD2 LEU 15 20.852 -1.771 3.365 115 H LYS 16 H LYS 16 23.483 0.924 4.125 116 HA LYS 16 HA LYS 16 25.737 2.342 3.221 117 1HB LYS 16 1HB LYS 16 25.337 0.555 5.586 118 2HB LYS 16 2HB LYS 16 26.796 1.511 5.363 119 1HG LYS 16 1HG LYS 16 25.642 3.599 5.362 120 2HG LYS 16 2HG LYS 16 24.076 2.869 5.153 121 1HD LYS 16 1HD LYS 16 25.823 2.530 7.643 122 2HD LYS 16 2HD LYS 16 24.523 3.711 7.481 123 1HE LYS 16 1HE LYS 16 22.923 1.823 6.998 124 2HE LYS 16 2HE LYS 16 24.211 0.679 7.358 125 1HZ LYS 16 1HZ LYS 16 23.760 0.919 9.546 126 2HZ LYS 16 2HZ LYS 16 22.568 2.045 9.217 127 3HZ LYS 16 3HZ LYS 16 24.159 2.560 9.458 128 H THR 17 H THR 17 25.207 -0.752 2.263 129 HA THR 17 HA THR 17 28.140 -1.204 1.814 130 HB THR 17 HB THR 17 26.099 -3.297 2.734 131 HG1 THR 17 HG1 THR 17 28.036 -3.208 4.277 132 1HG2 THR 17 1HG2 THR 17 27.965 -4.215 1.154 133 2HG2 THR 17 2HG2 THR 17 28.132 -4.762 2.814 134 3HG2 THR 17 3HG2 THR 17 29.117 -3.439 2.217 135 H LYS 18 H LYS 18 27.518 -0.167 -0.360 136 HA LYS 18 HA LYS 18 26.097 -0.773 -2.492 137 1HB LYS 18 1HB LYS 18 28.156 -0.872 -3.977 138 2HB LYS 18 2HB LYS 18 28.148 0.460 -2.843 139 1HG LYS 18 1HG LYS 18 29.856 -0.468 -1.519 140 2HG LYS 18 2HG LYS 18 29.466 -2.124 -1.963 141 1HD LYS 18 1HD LYS 18 30.322 -1.795 -4.250 142 2HD LYS 18 2HD LYS 18 30.664 -0.101 -3.951 143 1HE LYS 18 1HE LYS 18 31.964 -2.404 -2.407 144 2HE LYS 18 2HE LYS 18 32.676 -1.685 -3.846 145 1HZ LYS 18 1HZ LYS 18 31.840 0.382 -2.147 146 2HZ LYS 18 2HZ LYS 18 33.456 0.004 -2.537 147 3HZ LYS 18 3HZ LYS 18 32.687 -0.681 -1.170 148 HA PRO 19 HA PRO 19 25.907 -5.356 -2.122 149 1HB PRO 19 1HB PRO 19 23.370 -4.599 -3.648 150 2HB PRO 19 2HB PRO 19 23.644 -5.912 -2.533 151 1HG PRO 19 1HG PRO 19 22.578 -3.689 -1.531 152 2HG PRO 19 2HG PRO 19 23.986 -4.319 -0.661 153 1HD PRO 19 1HD PRO 19 23.965 -2.154 -2.810 154 2HD PRO 19 2HD PRO 19 24.640 -2.073 -1.161 155 H ALA 20 H ALA 20 25.677 -6.955 -3.356 156 HA ALA 20 HA ALA 20 27.579 -7.261 -5.461 157 1HB ALA 20 1HB ALA 20 26.468 -9.439 -6.014 158 2HB ALA 20 2HB ALA 20 25.040 -8.942 -5.111 159 3HB ALA 20 3HB ALA 20 26.559 -9.217 -4.274 160 H ASP 21 H ASP 21 27.612 -6.788 -7.700 161 HA ASP 21 HA ASP 21 25.858 -4.978 -8.865 162 1HB ASP 21 1HB ASP 21 27.466 -7.264 -10.218 163 2HB ASP 21 2HB ASP 21 26.856 -5.810 -11.013 164 H GLU 22 H GLU 22 25.622 -8.624 -9.143 165 HA GLU 22 HA GLU 22 23.351 -8.821 -10.636 166 1HB GLU 22 1HB GLU 22 24.069 -10.335 -8.027 167 2HB GLU 22 2HB GLU 22 22.848 -10.930 -9.117 168 1HG GLU 22 1HG GLU 22 24.594 -11.380 -10.851 169 2HG GLU 22 2HG GLU 22 25.824 -10.668 -9.824 170 H GLU 23 H GLU 23 23.476 -7.641 -7.490 171 HA GLU 23 HA GLU 23 20.528 -7.722 -7.080 172 1HB GLU 23 1HB GLU 23 22.850 -6.762 -5.187 173 2HB GLU 23 2HB GLU 23 21.127 -6.757 -4.848 174 1HG GLU 23 1HG GLU 23 21.213 -9.295 -5.513 175 2HG GLU 23 2HG GLU 23 22.953 -9.126 -5.422 176 H MET 24 H MET 24 23.075 -5.342 -7.202 177 HA MET 24 HA MET 24 21.638 -2.921 -7.284 178 1HB MET 24 1HB MET 24 24.166 -3.935 -8.696 179 2HB MET 24 2HB MET 24 23.858 -2.235 -8.548 180 1HG MET 24 1HG MET 24 24.057 -4.063 -6.151 181 2HG MET 24 2HG MET 24 25.416 -3.233 -6.810 182 1HE MET 24 1HE MET 24 25.217 0.225 -5.980 183 2HE MET 24 2HE MET 24 25.941 -1.123 -6.792 184 3HE MET 24 3HE MET 24 26.154 -0.974 -5.049 185 H LEU 25 H LEU 25 22.669 -4.945 -9.874 186 HA LEU 25 HA LEU 25 21.613 -3.997 -12.191 187 1HB LEU 25 1HB LEU 25 22.170 -6.690 -10.988 188 2HB LEU 25 2HB LEU 25 21.373 -6.729 -12.472 189 HG LEU 25 HG LEU 25 24.165 -5.782 -11.822 190 1HD1 LEU 25 1HD1 LEU 25 23.858 -8.100 -12.426 191 2HD1 LEU 25 2HD1 LEU 25 24.747 -7.274 -13.686 192 3HD1 LEU 25 3HD1 LEU 25 23.045 -7.659 -13.916 193 1HD2 LEU 25 1HD2 LEU 25 23.248 -4.003 -13.333 194 2HD2 LEU 25 2HD2 LEU 25 22.664 -5.246 -14.446 195 3HD2 LEU 25 3HD2 LEU 25 24.384 -5.015 -14.184 196 H PHE 26 H PHE 26 20.065 -5.970 -9.856 197 HA PHE 26 HA PHE 26 17.436 -6.024 -11.121 198 1HB PHE 26 1HB PHE 26 18.389 -7.839 -9.644 199 2HB PHE 26 2HB PHE 26 18.208 -6.775 -8.257 200 HD1 PHE 26 HD1 PHE 26 16.458 -8.912 -10.614 201 HD2 PHE 26 HD2 PHE 26 15.970 -5.852 -7.673 202 HE1 PHE 26 HE1 PHE 26 14.072 -9.450 -10.428 203 HE2 PHE 26 HE2 PHE 26 13.597 -6.411 -7.500 204 HZ PHE 26 HZ PHE 26 12.675 -8.180 -8.869 205 H ILE 27 H ILE 27 18.451 -4.579 -7.996 206 HA ILE 27 HA ILE 27 16.046 -3.121 -7.552 207 HB ILE 27 HB ILE 27 18.926 -2.821 -6.702 208 1HG1 ILE 27 1HG1 ILE 27 17.481 -4.375 -5.513 209 2HG1 ILE 27 2HG1 ILE 27 18.002 -3.058 -4.483 210 1HG2 ILE 27 1HG2 ILE 27 16.863 -0.713 -5.957 211 2HG2 ILE 27 2HG2 ILE 27 18.270 -0.458 -6.962 212 3HG2 ILE 27 3HG2 ILE 27 18.438 -0.892 -5.269 213 1HD1 ILE 27 1HD1 ILE 27 15.619 -3.602 -4.076 214 2HD1 ILE 27 2HD1 ILE 27 15.197 -3.234 -5.720 215 3HD1 ILE 27 3HD1 ILE 27 15.810 -1.969 -4.668 216 H TYR 28 H TYR 28 18.819 -2.324 -9.617 217 HA TYR 28 HA TYR 28 18.059 0.316 -10.272 218 1HB TYR 28 1HB TYR 28 20.286 -0.816 -10.570 219 2HB TYR 28 2HB TYR 28 19.617 -1.813 -11.823 220 HD1 TYR 28 HD1 TYR 28 20.717 1.512 -10.859 221 HD2 TYR 28 HD2 TYR 28 19.039 -0.785 -14.035 222 HE1 TYR 28 HE1 TYR 28 21.254 3.271 -12.431 223 HE2 TYR 28 HE2 TYR 28 19.564 1.027 -15.599 224 HH TYR 28 HH TYR 28 20.762 4.089 -14.539 225 H SER 29 H SER 29 17.839 -2.670 -12.261 226 HA SER 29 HA SER 29 16.163 -1.709 -14.300 227 1HB SER 29 1HB SER 29 15.517 -4.234 -14.464 228 2HB SER 29 2HB SER 29 17.237 -3.876 -14.486 229 HG SER 29 HG SER 29 17.410 -4.618 -12.547 230 H HIS 30 H HIS 30 15.264 -3.368 -11.404 231 HA HIS 30 HA HIS 30 12.408 -3.160 -11.757 232 1HB HIS 30 1HB HIS 30 14.246 -3.893 -9.444 233 2HB HIS 30 2HB HIS 30 12.553 -3.574 -9.118 234 HD1 HIS 30 HD1 HIS 30 11.082 -5.449 -9.738 235 HD2 HIS 30 HD2 HIS 30 14.593 -5.721 -11.802 236 HE1 HIS 30 HE1 HIS 30 10.959 -7.571 -11.091 237 H TYR 31 H TYR 31 14.597 -0.970 -9.777 238 HA TYR 31 HA TYR 31 12.466 0.701 -9.006 239 1HB TYR 31 1HB TYR 31 14.789 0.748 -8.086 240 2HB TYR 31 2HB TYR 31 15.384 1.370 -9.574 241 HD1 TYR 31 HD1 TYR 31 15.735 3.608 -9.607 242 HD2 TYR 31 HD2 TYR 31 12.608 2.167 -7.123 243 HE1 TYR 31 HE1 TYR 31 15.311 5.881 -8.839 244 HE2 TYR 31 HE2 TYR 31 12.183 4.475 -6.366 245 HH TYR 31 HH TYR 31 13.919 7.199 -7.669 246 H LYS 32 H LYS 32 14.813 1.056 -11.826 247 HA LYS 32 HA LYS 32 13.670 3.325 -12.832 248 1HB LYS 32 1HB LYS 32 15.451 1.195 -13.634 249 2HB LYS 32 2HB LYS 32 14.441 1.640 -14.961 250 1HG LYS 32 1HG LYS 32 16.311 3.115 -14.943 251 2HG LYS 32 2HG LYS 32 14.829 3.989 -14.561 252 1HD LYS 32 1HD LYS 32 16.586 4.915 -13.214 253 2HD LYS 32 2HD LYS 32 15.629 3.965 -12.106 254 1HE LYS 32 1HE LYS 32 17.087 2.247 -12.106 255 2HE LYS 32 2HE LYS 32 17.936 2.726 -13.584 256 1HZ LYS 32 1HZ LYS 32 19.261 4.188 -12.463 257 2HZ LYS 32 2HZ LYS 32 18.794 3.429 -11.024 258 3HZ LYS 32 3HZ LYS 32 18.010 4.815 -11.609 259 H GLN 33 H GLN 33 12.890 -0.099 -13.764 260 HA GLN 33 HA GLN 33 10.665 0.337 -15.361 261 1HB GLN 33 1HB GLN 33 11.894 -1.862 -14.141 262 2HB GLN 33 2HB GLN 33 10.323 -1.911 -13.433 263 1HG GLN 33 1HG GLN 33 11.066 -1.759 -16.313 264 2HG GLN 33 2HG GLN 33 10.434 -3.190 -15.508 265 1HE2 GLN 33 1HE2 GLN 33 9.270 -1.999 -17.832 266 2HE2 GLN 33 2HE2 GLN 33 7.718 -1.444 -17.386 267 H ALA 34 H ALA 34 10.357 -0.414 -11.877 268 HA ALA 34 HA ALA 34 7.674 0.103 -11.509 269 1HB ALA 34 1HB ALA 34 10.032 0.616 -9.736 270 2HB ALA 34 2HB ALA 34 9.227 -0.919 -9.935 271 3HB ALA 34 3HB ALA 34 8.382 0.408 -9.151 272 H THR 35 H THR 35 10.038 2.554 -12.121 273 HA THR 35 HA THR 35 8.100 4.734 -11.338 274 HB THR 35 HB THR 35 10.141 6.275 -11.237 275 HG1 THR 35 HG1 THR 35 11.610 3.913 -11.584 276 1HG2 THR 35 1HG2 THR 35 9.625 4.800 -9.211 277 2HG2 THR 35 2HG2 THR 35 11.320 5.202 -9.398 278 3HG2 THR 35 3HG2 THR 35 10.733 3.616 -9.871 279 H VAL 36 H VAL 36 10.466 4.033 -13.751 280 HA VAL 36 HA VAL 36 9.401 5.966 -15.717 281 HB VAL 36 HB VAL 36 11.911 4.088 -15.812 282 1HG1 VAL 36 1HG1 VAL 36 12.460 5.386 -17.837 283 2HG1 VAL 36 2HG1 VAL 36 10.991 6.324 -17.680 284 3HG1 VAL 36 3HG1 VAL 36 10.911 4.620 -18.094 285 1HG2 VAL 36 1HG2 VAL 36 12.109 5.936 -14.184 286 2HG2 VAL 36 2HG2 VAL 36 11.697 7.087 -15.443 287 3HG2 VAL 36 3HG2 VAL 36 13.176 6.151 -15.566 288 H GLY 37 H GLY 37 9.981 2.447 -15.529 289 1HA GLY 37 1HA GLY 37 8.415 0.751 -16.242 290 2HA GLY 37 2HA GLY 37 7.636 1.896 -17.329 291 H ASP 38 H ASP 38 8.311 2.149 -19.246 292 HA ASP 38 HA ASP 38 9.998 0.208 -20.534 293 1HB ASP 38 1HB ASP 38 9.147 2.999 -21.467 294 2HB ASP 38 2HB ASP 38 9.872 1.856 -22.547 295 H ILE 39 H ILE 39 11.906 1.475 -22.024 296 HA ILE 39 HA ILE 39 13.597 2.811 -19.906 297 HB ILE 39 HB ILE 39 14.282 0.531 -20.633 298 1HG1 ILE 39 1HG1 ILE 39 16.353 2.503 -21.674 299 2HG1 ILE 39 2HG1 ILE 39 15.989 2.376 -19.968 300 1HG2 ILE 39 1HG2 ILE 39 14.699 1.724 -23.398 301 2HG2 ILE 39 2HG2 ILE 39 13.506 0.515 -22.965 302 3HG2 ILE 39 3HG2 ILE 39 15.201 0.117 -22.897 303 1HD1 ILE 39 1HD1 ILE 39 16.536 -0.089 -20.048 304 2HD1 ILE 39 2HD1 ILE 39 17.899 0.888 -20.512 305 3HD1 ILE 39 3HD1 ILE 39 16.968 0.063 -21.743 306 H ASN 40 H ASN 40 14.490 4.540 -20.272 307 HA ASN 40 HA ASN 40 14.252 6.112 -22.852 308 1HB ASN 40 1HB ASN 40 13.640 8.167 -21.491 309 2HB ASN 40 2HB ASN 40 12.415 6.910 -21.448 310 1HD2 ASN 40 1HD2 ASN 40 11.785 8.064 -19.370 311 2HD2 ASN 40 2HD2 ASN 40 12.667 7.643 -17.965 312 H THR 41 H THR 41 16.596 4.930 -21.994 313 HA THR 41 HA THR 41 18.399 7.317 -21.798 314 HB THR 41 HB THR 41 19.603 6.597 -19.869 315 HG1 THR 41 HG1 THR 41 20.419 4.621 -20.130 316 1HG2 THR 41 1HG2 THR 41 18.291 5.281 -18.251 317 2HG2 THR 41 2HG2 THR 41 17.212 4.697 -19.510 318 3HG2 THR 41 3HG2 THR 41 17.165 6.388 -19.040 319 H GLU 42 H GLU 42 20.839 6.217 -21.941 320 HA GLU 42 HA GLU 42 20.863 4.668 -24.492 321 1HB GLU 42 1HB GLU 42 23.011 5.729 -24.988 322 2HB GLU 42 2HB GLU 42 22.039 7.020 -24.315 323 1HG GLU 42 1HG GLU 42 23.408 7.205 -22.400 324 2HG GLU 42 2HG GLU 42 23.566 5.483 -22.192 325 H ARG 43 H ARG 43 22.802 3.362 -24.792 326 HA ARG 43 HA ARG 43 23.301 1.522 -22.539 327 1HB ARG 43 1HB ARG 43 22.217 0.737 -24.594 328 2HB ARG 43 2HB ARG 43 23.620 1.236 -25.529 329 1HG ARG 43 1HG ARG 43 25.032 -0.269 -24.183 330 2HG ARG 43 2HG ARG 43 23.601 -0.860 -23.339 331 1HD ARG 43 1HD ARG 43 22.648 -1.575 -25.553 332 2HD ARG 43 2HD ARG 43 24.106 -0.969 -26.346 333 HE ARG 43 HE ARG 43 25.337 -2.602 -24.682 334 1HH1 ARG 43 1HH1 ARG 43 22.896 -3.550 -23.613 335 2HH1 ARG 43 2HH1 ARG 43 22.528 -5.004 -24.358 336 1HH2 ARG 43 1HH2 ARG 43 25.006 -4.049 -26.802 337 2HH2 ARG 43 2HH2 ARG 43 23.959 -5.380 -26.377 338 HA PRO 44 HA PRO 44 27.408 3.782 -22.431 339 1HB PRO 44 1HB PRO 44 27.425 1.860 -20.162 340 2HB PRO 44 2HB PRO 44 28.194 3.462 -20.199 341 1HG PRO 44 1HG PRO 44 25.818 3.468 -19.089 342 2HG PRO 44 2HG PRO 44 25.959 4.547 -20.489 343 1HD PRO 44 1HD PRO 44 24.801 1.704 -20.498 344 2HD PRO 44 2HD PRO 44 24.113 3.223 -21.104 345 H GLY 45 H GLY 45 29.633 3.458 -22.861 346 1HA GLY 45 1HA GLY 45 30.451 0.763 -23.828 347 2HA GLY 45 2HA GLY 45 31.006 2.266 -24.470 348 H MET 46 H MET 46 31.910 3.258 -21.691 349 HA MET 46 HA MET 46 34.563 2.098 -21.875 350 1HB MET 46 1HB MET 46 33.366 3.858 -19.668 351 2HB MET 46 2HB MET 46 35.072 3.481 -19.846 352 1HG MET 46 1HG MET 46 34.712 5.612 -20.804 353 2HG MET 46 2HG MET 46 35.042 4.502 -22.100 354 1HE MET 46 1HE MET 46 31.492 7.172 -21.486 355 2HE MET 46 2HE MET 46 33.199 7.487 -21.223 356 3HE MET 46 3HE MET 46 32.302 6.405 -20.134 357 H LEU 47 H LEU 47 32.247 1.834 -19.397 358 HA LEU 47 HA LEU 47 33.825 -0.370 -18.077 359 1HB LEU 47 1HB LEU 47 31.433 1.320 -17.225 360 2HB LEU 47 2HB LEU 47 31.630 -0.231 -16.444 361 HG LEU 47 HG LEU 47 32.692 1.717 -15.166 362 1HD1 LEU 47 1HD1 LEU 47 34.726 -0.325 -16.230 363 2HD1 LEU 47 2HD1 LEU 47 33.592 -0.667 -14.944 364 3HD1 LEU 47 3HD1 LEU 47 34.854 0.542 -14.725 365 1HD2 LEU 47 1HD2 LEU 47 34.620 1.810 -17.508 366 2HD2 LEU 47 2HD2 LEU 47 34.747 2.735 -16.024 367 3HD2 LEU 47 3HD2 LEU 47 33.411 3.027 -17.132 368 H ASP 48 H ASP 48 30.442 -0.105 -18.769 369 HA ASP 48 HA ASP 48 29.036 -1.406 -20.256 370 1HB ASP 48 1HB ASP 48 31.534 -3.248 -20.559 371 2HB ASP 48 2HB ASP 48 29.968 -3.717 -21.090 372 H PHE 49 H PHE 49 30.912 -3.145 -17.850 373 HA PHE 49 HA PHE 49 28.604 -4.876 -17.232 374 1HB PHE 49 1HB PHE 49 30.040 -5.945 -15.638 375 2HB PHE 49 2HB PHE 49 31.213 -5.284 -16.750 376 HD1 PHE 49 HD1 PHE 49 29.406 -4.270 -13.576 377 HD2 PHE 49 HD2 PHE 49 33.047 -4.202 -15.801 378 HE1 PHE 49 HE1 PHE 49 30.531 -3.184 -11.708 379 HE2 PHE 49 HE2 PHE 49 34.173 -3.097 -13.920 380 HZ PHE 49 HZ PHE 49 32.909 -2.600 -11.860 381 H LYS 50 H LYS 50 30.020 -2.015 -16.063 382 HA LYS 50 HA LYS 50 27.724 -1.614 -14.168 383 1HB LYS 50 1HB LYS 50 30.266 -1.124 -13.594 384 2HB LYS 50 2HB LYS 50 30.002 0.337 -14.557 385 1HG LYS 50 1HG LYS 50 27.914 0.765 -13.038 386 2HG LYS 50 2HG LYS 50 28.505 -0.507 -12.002 387 1HD LYS 50 1HD LYS 50 29.811 2.183 -12.573 388 2HD LYS 50 2HD LYS 50 29.075 1.690 -11.086 389 1HE LYS 50 1HE LYS 50 31.311 1.443 -10.534 390 2HE LYS 50 2HE LYS 50 30.938 -0.193 -11.068 391 1HZ LYS 50 1HZ LYS 50 31.482 1.309 -13.318 392 2HZ LYS 50 2HZ LYS 50 32.421 0.049 -12.732 393 3HZ LYS 50 3HZ LYS 50 32.776 1.657 -12.249 394 H GLY 51 H GLY 51 28.110 -1.290 -17.151 395 1HA GLY 51 1HA GLY 51 26.650 1.307 -17.583 396 2HA GLY 51 2HA GLY 51 27.808 0.631 -18.735 397 H LYS 52 H LYS 52 27.177 -1.523 -19.743 398 HA LYS 52 HA LYS 52 24.427 -1.400 -20.627 399 1HB LYS 52 1HB LYS 52 26.510 -3.571 -20.915 400 2HB LYS 52 2HB LYS 52 25.108 -3.382 -21.933 401 1HG LYS 52 1HG LYS 52 26.020 -1.596 -23.153 402 2HG LYS 52 2HG LYS 52 27.039 -1.092 -21.826 403 1HD LYS 52 1HD LYS 52 28.476 -2.754 -22.034 404 2HD LYS 52 2HD LYS 52 27.457 -3.916 -22.820 405 1HE LYS 52 1HE LYS 52 29.109 -3.381 -24.427 406 2HE LYS 52 2HE LYS 52 27.636 -2.600 -24.973 407 1HZ LYS 52 1HZ LYS 52 28.780 -0.598 -24.896 408 2HZ LYS 52 2HZ LYS 52 30.133 -1.467 -24.225 409 3HZ LYS 52 3HZ LYS 52 28.954 -0.848 -23.246 410 H ALA 53 H ALA 53 26.078 -3.675 -18.740 411 HA ALA 53 HA ALA 53 24.032 -5.617 -18.387 412 1HB ALA 53 1HB ALA 53 25.768 -4.606 -16.057 413 2HB ALA 53 2HB ALA 53 26.254 -5.863 -17.171 414 3HB ALA 53 3HB ALA 53 24.938 -6.146 -16.050 415 H LYS 54 H LYS 54 24.347 -2.870 -16.047 416 HA LYS 54 HA LYS 54 21.743 -3.215 -14.900 417 1HB LYS 54 1HB LYS 54 22.098 -0.945 -14.012 418 2HB LYS 54 2HB LYS 54 23.593 -1.864 -13.900 419 1HG LYS 54 1HG LYS 54 24.211 -0.861 -16.237 420 2HG LYS 54 2HG LYS 54 22.880 0.243 -16.015 421 1HD LYS 54 1HD LYS 54 25.100 -0.098 -13.971 422 2HD LYS 54 2HD LYS 54 25.142 1.066 -15.289 423 1HE LYS 54 1HE LYS 54 22.743 1.110 -13.510 424 2HE LYS 54 2HE LYS 54 24.226 1.831 -12.924 425 1HZ LYS 54 1HZ LYS 54 23.768 3.610 -14.169 426 2HZ LYS 54 2HZ LYS 54 22.443 2.989 -14.796 427 3HZ LYS 54 3HZ LYS 54 23.902 2.680 -15.599 428 H TRP 55 H TRP 55 22.307 -2.199 -18.128 429 HA TRP 55 HA TRP 55 19.943 -0.476 -18.307 430 1HB TRP 55 1HB TRP 55 22.324 -0.007 -19.256 431 2HB TRP 55 2HB TRP 55 22.013 -1.266 -20.418 432 HD1 TRP 55 HD1 TRP 55 20.788 2.192 -19.334 433 HE1 TRP 55 HE1 TRP 55 19.492 3.081 -21.270 434 HE3 TRP 55 HE3 TRP 55 20.703 -1.849 -22.349 435 HZ2 TRP 55 HZ2 TRP 55 18.458 2.330 -23.795 436 HZ3 TRP 55 HZ3 TRP 55 19.523 -1.766 -24.552 437 HH2 TRP 55 HH2 TRP 55 18.399 0.343 -25.272 438 H ASP 56 H ASP 56 21.483 -3.235 -19.399 439 HA ASP 56 HA ASP 56 19.563 -4.359 -21.238 440 1HB ASP 56 1HB ASP 56 22.132 -5.015 -19.770 441 2HB ASP 56 2HB ASP 56 21.391 -6.400 -20.422 442 H ALA 57 H ALA 57 20.492 -4.903 -17.906 443 HA ALA 57 HA ALA 57 18.602 -6.626 -16.962 444 1HB ALA 57 1HB ALA 57 19.106 -5.518 -14.744 445 2HB ALA 57 2HB ALA 57 19.776 -4.135 -15.595 446 3HB ALA 57 3HB ALA 57 20.574 -5.703 -15.708 447 H TRP 58 H TRP 58 18.103 -3.312 -17.887 448 HA TRP 58 HA TRP 58 15.316 -3.237 -16.802 449 1HB TRP 58 1HB TRP 58 16.871 -1.331 -16.347 450 2HB TRP 58 2HB TRP 58 17.059 -1.060 -18.059 451 HD1 TRP 58 HD1 TRP 58 13.469 -1.945 -17.224 452 HE1 TRP 58 HE1 TRP 58 12.169 0.240 -17.295 453 HE3 TRP 58 HE3 TRP 58 17.242 1.342 -17.327 454 HZ2 TRP 58 HZ2 TRP 58 12.606 3.034 -17.331 455 HZ3 TRP 58 HZ3 TRP 58 16.784 3.823 -17.335 456 HH2 TRP 58 HH2 TRP 58 14.517 4.654 -17.349 457 H ASN 59 H ASN 59 17.047 -3.039 -19.782 458 HA ASN 59 HA ASN 59 15.014 -2.550 -21.734 459 1HB ASN 59 1HB ASN 59 17.549 -2.639 -22.154 460 2HB ASN 59 2HB ASN 59 17.499 -4.371 -21.907 461 1HD2 ASN 59 1HD2 ASN 59 18.268 -4.893 -24.015 462 2HD2 ASN 59 2HD2 ASN 59 17.307 -4.584 -25.390 463 H GLU 60 H GLU 60 16.282 -5.330 -20.261 464 HA GLU 60 HA GLU 60 14.656 -7.470 -21.128 465 1HB GLU 60 1HB GLU 60 16.730 -7.580 -19.587 466 2HB GLU 60 2HB GLU 60 15.666 -7.137 -18.269 467 1HG GLU 60 1HG GLU 60 14.218 -9.260 -19.235 468 2HG GLU 60 2HG GLU 60 15.800 -9.717 -19.821 469 H LEU 61 H LEU 61 13.689 -4.863 -19.307 470 HA LEU 61 HA LEU 61 11.058 -6.021 -18.535 471 1HB LEU 61 1HB LEU 61 12.263 -3.707 -16.978 472 2HB LEU 61 2HB LEU 61 11.033 -4.852 -16.494 473 HG LEU 61 HG LEU 61 14.005 -5.446 -16.694 474 1HD1 LEU 61 1HD1 LEU 61 12.048 -5.186 -14.388 475 2HD1 LEU 61 2HD1 LEU 61 13.311 -4.024 -14.790 476 3HD1 LEU 61 3HD1 LEU 61 13.735 -5.639 -14.236 477 1HD2 LEU 61 1HD2 LEU 61 12.597 -7.408 -17.260 478 2HD2 LEU 61 2HD2 LEU 61 11.707 -7.212 -15.763 479 3HD2 LEU 61 3HD2 LEU 61 13.419 -7.631 -15.736 480 H LYS 62 H LYS 62 12.328 -4.203 -20.754 481 HA LYS 62 HA LYS 62 11.265 -1.661 -20.622 482 1HB LYS 62 1HB LYS 62 12.937 -2.383 -22.301 483 2HB LYS 62 2HB LYS 62 11.795 -3.466 -23.037 484 1HG LYS 62 1HG LYS 62 11.039 -0.607 -22.833 485 2HG LYS 62 2HG LYS 62 12.279 -1.002 -24.032 486 1HD LYS 62 1HD LYS 62 10.796 -2.546 -25.183 487 2HD LYS 62 2HD LYS 62 9.573 -2.453 -23.947 488 1HE LYS 62 1HE LYS 62 10.411 -0.118 -25.703 489 2HE LYS 62 2HE LYS 62 8.948 -1.074 -25.911 490 1HZ LYS 62 1HZ LYS 62 9.270 1.125 -24.126 491 2HZ LYS 62 2HZ LYS 62 9.116 -0.296 -23.200 492 3HZ LYS 62 3HZ LYS 62 7.947 0.206 -24.238 493 H GLY 63 H GLY 63 9.146 -4.356 -20.939 494 1HA GLY 63 1HA GLY 63 7.006 -2.437 -21.600 495 2HA GLY 63 2HA GLY 63 7.118 -4.010 -22.430 496 H THR 64 H THR 64 8.187 -3.354 -19.273 497 HA THR 64 HA THR 64 6.447 -5.454 -18.077 498 HB THR 64 HB THR 64 8.815 -3.900 -16.920 499 HG1 THR 64 HG1 THR 64 9.064 -6.493 -17.293 500 1HG2 THR 64 1HG2 THR 64 8.882 -5.657 -15.200 501 2HG2 THR 64 2HG2 THR 64 7.471 -6.460 -15.874 502 3HG2 THR 64 3HG2 THR 64 7.324 -4.906 -15.071 503 H SER 65 H SER 65 5.323 -5.120 -15.889 504 HA SER 65 HA SER 65 3.963 -2.552 -15.979 505 1HB SER 65 1HB SER 65 2.190 -3.578 -14.782 506 2HB SER 65 2HB SER 65 2.851 -4.990 -15.595 507 HG SER 65 HG SER 65 3.112 -5.729 -13.591 508 H LYS 66 H LYS 66 4.557 -1.094 -14.917 509 HA LYS 66 HA LYS 66 6.620 -0.690 -13.119 510 1HB LYS 66 1HB LYS 66 3.884 0.692 -13.074 511 2HB LYS 66 2HB LYS 66 5.269 1.270 -12.146 512 1HG LYS 66 1HG LYS 66 6.625 1.482 -14.210 513 2HG LYS 66 2HG LYS 66 5.260 0.924 -15.159 514 1HD LYS 66 1HD LYS 66 3.929 2.879 -14.561 515 2HD LYS 66 2HD LYS 66 5.015 3.295 -13.264 516 1HE LYS 66 1HE LYS 66 5.318 4.839 -15.176 517 2HE LYS 66 2HE LYS 66 6.765 3.921 -14.832 518 1HZ LYS 66 1HZ LYS 66 6.739 3.352 -16.964 519 2HZ LYS 66 2HZ LYS 66 5.197 3.928 -17.215 520 3HZ LYS 66 3HZ LYS 66 5.380 2.339 -16.615 521 H GLU 67 H GLU 67 3.396 -1.444 -12.300 522 HA GLU 67 HA GLU 67 3.536 -1.823 -9.564 523 1HB GLU 67 1HB GLU 67 1.899 -2.900 -11.805 524 2HB GLU 67 2HB GLU 67 1.702 -3.683 -10.310 525 1HG GLU 67 1HG GLU 67 1.620 -0.981 -9.467 526 2HG GLU 67 2HG GLU 67 0.834 -0.877 -11.023 527 H ASP 68 H ASP 68 3.981 -4.728 -11.884 528 HA ASP 68 HA ASP 68 4.651 -6.393 -9.743 529 1HB ASP 68 1HB ASP 68 5.024 -6.299 -12.718 530 2HB ASP 68 2HB ASP 68 5.800 -7.572 -11.827 531 H ALA 69 H ALA 69 6.466 -4.350 -11.713 532 HA ALA 69 HA ALA 69 9.121 -5.040 -10.932 533 1HB ALA 69 1HB ALA 69 8.041 -2.244 -11.570 534 2HB ALA 69 2HB ALA 69 8.486 -3.433 -12.753 535 3HB ALA 69 3HB ALA 69 9.713 -2.757 -11.688 536 H MET 70 H MET 70 6.691 -2.910 -9.495 537 HA MET 70 HA MET 70 8.259 -2.067 -7.205 538 1HB MET 70 1HB MET 70 5.168 -2.433 -7.502 539 2HB MET 70 2HB MET 70 5.892 -1.650 -6.162 540 1HG MET 70 1HG MET 70 6.696 0.153 -7.557 541 2HG MET 70 2HG MET 70 6.323 -0.696 -8.987 542 1HE MET 70 1HE MET 70 5.355 2.474 -8.657 543 2HE MET 70 2HE MET 70 4.034 1.992 -9.745 544 3HE MET 70 3HE MET 70 5.602 1.244 -9.924 545 H LYS 71 H LYS 71 5.827 -4.650 -7.334 546 HA LYS 71 HA LYS 71 6.270 -5.787 -4.851 547 1HB LYS 71 1HB LYS 71 5.790 -7.262 -7.487 548 2HB LYS 71 2HB LYS 71 5.814 -8.102 -5.959 549 1HG LYS 71 1HG LYS 71 3.495 -7.692 -6.438 550 2HG LYS 71 2HG LYS 71 3.961 -6.630 -5.126 551 1HD LYS 71 1HD LYS 71 4.186 -4.722 -6.694 552 2HD LYS 71 2HD LYS 71 3.928 -5.814 -8.052 553 1HE LYS 71 1HE LYS 71 1.634 -6.122 -7.350 554 2HE LYS 71 2HE LYS 71 1.910 -5.105 -5.925 555 1HZ LYS 71 1HZ LYS 71 1.160 -4.092 -8.450 556 2HZ LYS 71 2HZ LYS 71 2.883 -3.849 -8.283 557 3HZ LYS 71 3HZ LYS 71 1.844 -3.266 -7.142 558 H ALA 72 H ALA 72 8.017 -6.894 -7.755 559 HA ALA 72 HA ALA 72 9.938 -8.371 -6.112 560 1HB ALA 72 1HB ALA 72 10.116 -7.371 -9.029 561 2HB ALA 72 2HB ALA 72 9.289 -8.826 -8.514 562 3HB ALA 72 3HB ALA 72 11.005 -8.733 -8.314 563 H TYR 73 H TYR 73 9.947 -4.975 -7.241 564 HA TYR 73 HA TYR 73 12.725 -4.474 -6.725 565 1HB TYR 73 1HB TYR 73 11.295 -2.797 -7.833 566 2HB TYR 73 2HB TYR 73 10.256 -2.721 -6.439 567 HD1 TYR 73 HD1 TYR 73 10.766 -1.112 -4.677 568 HD2 TYR 73 HD2 TYR 73 13.730 -2.162 -7.544 569 HE1 TYR 73 HE1 TYR 73 12.205 0.690 -3.858 570 HE2 TYR 73 HE2 TYR 73 15.139 -0.412 -6.690 571 HH TYR 73 HH TYR 73 15.178 1.502 -5.491 572 H ILE 74 H ILE 74 9.894 -3.977 -4.839 573 HA ILE 74 HA ILE 74 11.032 -3.284 -2.328 574 HB ILE 74 HB ILE 74 8.435 -4.781 -2.911 575 1HG1 ILE 74 1HG1 ILE 74 8.850 -1.856 -2.374 576 2HG1 ILE 74 2HG1 ILE 74 8.634 -2.516 -3.990 577 1HG2 ILE 74 1HG2 ILE 74 9.304 -4.884 -0.455 578 2HG2 ILE 74 2HG2 ILE 74 7.832 -3.975 -0.572 579 3HG2 ILE 74 3HG2 ILE 74 9.362 -3.130 -0.462 580 1HD1 ILE 74 1HD1 ILE 74 6.489 -3.585 -3.284 581 2HD1 ILE 74 2HD1 ILE 74 6.424 -1.836 -3.129 582 3HD1 ILE 74 3HD1 ILE 74 6.630 -2.827 -1.716 583 H ASP 75 H ASP 75 9.893 -6.582 -3.414 584 HA ASP 75 HA ASP 75 10.783 -7.871 -1.082 585 1HB ASP 75 1HB ASP 75 10.114 -8.460 -3.964 586 2HB ASP 75 2HB ASP 75 10.846 -9.745 -3.103 587 H LYS 76 H LYS 76 12.515 -6.741 -3.912 588 HA LYS 76 HA LYS 76 14.857 -8.302 -3.191 589 1HB LYS 76 1HB LYS 76 14.308 -7.357 -5.486 590 2HB LYS 76 2HB LYS 76 14.612 -5.761 -4.899 591 1HG LYS 76 1HG LYS 76 16.718 -6.441 -5.891 592 2HG LYS 76 2HG LYS 76 16.942 -6.512 -4.170 593 1HD LYS 76 1HD LYS 76 17.891 -8.511 -5.388 594 2HD LYS 76 2HD LYS 76 16.756 -8.956 -4.135 595 1HE LYS 76 1HE LYS 76 14.986 -9.324 -5.791 596 2HE LYS 76 2HE LYS 76 15.968 -8.680 -7.083 597 1HZ LYS 76 1HZ LYS 76 15.898 -11.310 -6.190 598 2HZ LYS 76 2HZ LYS 76 17.387 -10.692 -5.691 599 3HZ LYS 76 3HZ LYS 76 16.944 -10.647 -7.350 600 H VAL 77 H VAL 77 13.816 -4.974 -2.743 601 HA VAL 77 HA VAL 77 15.994 -3.953 -1.167 602 HB VAL 77 HB VAL 77 13.014 -3.438 -0.632 603 1HG1 VAL 77 1HG1 VAL 77 13.910 -1.261 0.360 604 2HG1 VAL 77 2HG1 VAL 77 15.545 -1.801 0.030 605 3HG1 VAL 77 3HG1 VAL 77 14.559 -2.630 1.219 606 1HG2 VAL 77 1HG2 VAL 77 13.393 -1.427 -2.083 607 2HG2 VAL 77 2HG2 VAL 77 13.672 -2.903 -2.974 608 3HG2 VAL 77 3HG2 VAL 77 15.026 -1.974 -2.372 609 H GLU 78 H GLU 78 13.028 -5.578 0.051 610 HA GLU 78 HA GLU 78 13.809 -6.047 2.657 611 1HB GLU 78 1HB GLU 78 11.968 -7.137 0.576 612 2HB GLU 78 2HB GLU 78 12.137 -8.163 1.951 613 1HG GLU 78 1HG GLU 78 10.235 -6.305 2.031 614 2HG GLU 78 2HG GLU 78 11.254 -6.369 3.456 615 H GLU 79 H GLU 79 14.484 -8.264 -0.166 616 HA GLU 79 HA GLU 79 15.984 -10.178 1.303 617 1HB GLU 79 1HB GLU 79 16.414 -9.274 -1.583 618 2HB GLU 79 2HB GLU 79 17.234 -10.659 -0.866 619 1HG GLU 79 1HG GLU 79 14.244 -10.357 -0.953 620 2HG GLU 79 2HG GLU 79 15.123 -11.359 -2.086 621 H LEU 80 H LEU 80 17.116 -7.313 -0.392 622 HA LEU 80 HA LEU 80 19.865 -7.388 0.108 623 1HB LEU 80 1HB LEU 80 17.845 -5.090 -0.202 624 2HB LEU 80 2HB LEU 80 19.559 -4.772 -0.056 625 HG LEU 80 HG LEU 80 18.439 -6.701 -2.127 626 1HD1 LEU 80 1HD1 LEU 80 17.552 -4.427 -2.534 627 2HD1 LEU 80 2HD1 LEU 80 18.800 -4.845 -3.711 628 3HD1 LEU 80 3HD1 LEU 80 19.171 -3.754 -2.381 629 1HD2 LEU 80 1HD2 LEU 80 21.054 -5.175 -1.801 630 2HD2 LEU 80 2HD2 LEU 80 20.646 -6.233 -3.120 631 3HD2 LEU 80 3HD2 LEU 80 20.846 -6.898 -1.534 632 H LYS 81 H LYS 81 17.296 -5.924 2.059 633 HA LYS 81 HA LYS 81 18.852 -5.100 4.236 634 1HB LYS 81 1HB LYS 81 16.350 -4.751 4.136 635 2HB LYS 81 2HB LYS 81 16.072 -6.461 4.376 636 1HG LYS 81 1HG LYS 81 17.421 -6.262 6.586 637 2HG LYS 81 2HG LYS 81 17.456 -4.537 6.344 638 1HD LYS 81 1HD LYS 81 14.811 -4.813 6.178 639 2HD LYS 81 2HD LYS 81 15.114 -6.298 7.057 640 1HE LYS 81 1HE LYS 81 15.954 -3.489 7.911 641 2HE LYS 81 2HE LYS 81 14.638 -4.411 8.608 642 1HZ LYS 81 1HZ LYS 81 17.335 -4.421 9.264 643 2HZ LYS 81 2HZ LYS 81 17.006 -5.993 8.733 644 3HZ LYS 81 3HZ LYS 81 16.146 -5.307 10.039 645 H LYS 82 H LYS 82 17.296 -8.246 3.941 646 HA LYS 82 HA LYS 82 18.369 -9.555 6.123 647 1HB LYS 82 1HB LYS 82 18.120 -10.798 3.374 648 2HB LYS 82 2HB LYS 82 18.264 -11.703 4.864 649 1HG LYS 82 1HG LYS 82 16.101 -10.875 5.637 650 2HG LYS 82 2HG LYS 82 15.980 -9.794 4.248 651 1HD LYS 82 1HD LYS 82 16.350 -11.859 2.764 652 2HD LYS 82 2HD LYS 82 16.155 -12.841 4.201 653 1HE LYS 82 1HE LYS 82 13.886 -12.169 4.489 654 2HE LYS 82 2HE LYS 82 14.068 -10.850 3.335 655 1HZ LYS 82 1HZ LYS 82 13.489 -13.610 2.743 656 2HZ LYS 82 2HZ LYS 82 14.923 -13.130 1.976 657 3HZ LYS 82 3HZ LYS 82 13.543 -12.309 1.680 658 H LYS 83 H LYS 83 19.721 -9.421 3.043 659 HA LYS 83 HA LYS 83 22.151 -10.802 3.382 660 1HB LYS 83 1HB LYS 83 21.386 -8.566 1.492 661 2HB LYS 83 2HB LYS 83 22.884 -9.464 1.336 662 1HG LYS 83 1HG LYS 83 21.788 -11.470 0.802 663 2HG LYS 83 2HG LYS 83 20.277 -10.980 1.557 664 1HD LYS 83 1HD LYS 83 19.737 -9.447 -0.183 665 2HD LYS 83 2HD LYS 83 21.335 -9.441 -0.857 666 1HE LYS 83 1HE LYS 83 19.947 -12.099 -0.694 667 2HE LYS 83 2HE LYS 83 19.224 -10.914 -1.785 668 1HZ LYS 83 1HZ LYS 83 21.965 -10.721 -1.995 669 2HZ LYS 83 2HZ LYS 83 20.948 -11.050 -3.185 670 3HZ LYS 83 3HZ LYS 83 21.628 -12.374 -2.301 671 H TYR 84 H TYR 84 21.750 -7.362 3.440 672 HA TYR 84 HA TYR 84 24.512 -7.102 4.553 673 1HB TYR 84 1HB TYR 84 22.392 -5.066 3.455 674 2HB TYR 84 2HB TYR 84 24.066 -4.639 3.844 675 HD1 TYR 84 HD1 TYR 84 25.906 -6.057 2.700 676 HD2 TYR 84 HD2 TYR 84 21.900 -5.987 1.190 677 HE1 TYR 84 HE1 TYR 84 26.636 -7.047 0.549 678 HE2 TYR 84 HE2 TYR 84 22.681 -6.958 -0.879 679 HH TYR 84 HH TYR 84 24.323 -8.100 -1.842 680 H GLY 85 H GLY 85 21.697 -5.196 5.300 681 1HA GLY 85 1HA GLY 85 20.276 -6.037 7.346 682 2HA GLY 85 2HA GLY 85 21.841 -6.156 8.145 683 H ILE 86 H ILE 86 19.425 -4.066 6.974 684 HA ILE 86 HA ILE 86 20.831 -1.654 8.051 685 HB ILE 86 HB ILE 86 20.191 -1.360 5.688 686 1HG1 ILE 86 1HG1 ILE 86 18.018 0.003 7.291 687 2HG1 ILE 86 2HG1 ILE 86 19.664 0.575 7.229 688 1HG2 ILE 86 1HG2 ILE 86 17.393 -2.255 6.443 689 2HG2 ILE 86 2HG2 ILE 86 18.557 -3.156 5.465 690 3HG2 ILE 86 3HG2 ILE 86 17.859 -1.687 4.852 691 1HD1 ILE 86 1HD1 ILE 86 18.273 1.829 5.538 692 2HD1 ILE 86 2HD1 ILE 86 17.744 0.337 4.814 693 3HD1 ILE 86 3HD1 ILE 86 19.426 0.818 4.688 694 AH2 COA 1 AH2 COA 1 17.366 1.136 -8.012 695 AH61 COA 1 AH61 COA 1 15.169 3.179 -4.831 696 AH62 COA 1 AH62 COA 1 15.840 4.800 -4.634 697 AH8 COA 1 AH8 COA 1 19.061 7.333 -7.278 698 AH1* COA 1 AH1* COA 1 20.034 4.359 -9.720 699 AH2* COA 1 AH2* COA 1 19.760 7.395 -9.563 700 AHO2 COA 1 AHO2 COA 1 19.746 6.252 -11.986 701 AH3* COA 1 AH3* COA 1 21.792 7.495 -10.815 702 AH4* COA 1 AH4* COA 1 23.119 5.639 -9.337 703 AH51 COA 1 AH51 COA 1 23.033 7.094 -7.387 704 AH52 COA 1 AH52 COA 1 23.024 8.133 -8.762 705 1H12 COA 1 1H12 COA 1 22.115 7.930 -1.789 706 2H12 COA 1 2H12 COA 1 21.289 7.710 -3.292 707 1H13 COA 1 1H13 COA 1 24.145 5.990 -5.011 708 2H13 COA 1 2H13 COA 1 22.615 6.791 -5.319 709 3H13 COA 1 3H13 COA 1 24.041 7.742 -4.954 710 1H14 COA 1 1H14 COA 1 22.146 5.298 -2.028 711 2H14 COA 1 2H14 COA 1 22.971 4.689 -3.473 712 3H14 COA 1 3H14 COA 1 21.466 5.542 -3.623 713 H10 COA 1 H10 COA 1 25.195 6.108 -2.789 714 HO1 COA 1 HO1 COA 1 24.234 8.651 -2.947 715 HN8 COA 1 HN8 COA 1 24.063 4.648 -1.405 716 1H7 COA 1 1H7 COA 1 23.189 5.348 1.276 717 2H7 COA 1 2H7 COA 1 23.297 3.731 0.585 718 1H6 COA 1 1H6 COA 1 25.692 5.424 1.446 719 2H6 COA 1 2H6 COA 1 25.028 4.157 2.452 720 HN4 COA 1 HN4 COA 1 25.649 4.046 -1.022 721 1H3 COA 1 1H3 COA 1 26.612 1.619 -1.488 722 2H3 COA 1 2H3 COA 1 27.976 2.250 -0.562 723 1H2 COA 1 1H2 COA 1 27.597 4.314 -2.319 724 2H2 COA 1 2H2 COA 1 28.763 3.043 -2.575 725 1H2 PLY 2 1H2 PLY 2 23.977 2.619 -5.187 726 2H2 PLY 2 2H2 PLY 2 24.689 1.222 -4.374 727 1H3 PLY 2 1H3 PLY 2 23.087 1.577 -2.450 728 2H3 PLY 2 2H3 PLY 2 22.315 2.877 -3.295 729 1H4 PLY 2 1H4 PLY 2 20.887 1.081 -3.973 730 2H4 PLY 2 2H4 PLY 2 22.217 -0.074 -4.021 731 1H5 PLY 2 1H5 PLY 2 21.890 2.194 -6.014 732 2H5 PLY 2 2H5 PLY 2 22.916 0.769 -6.118 733 1H6 PLY 2 1H6 PLY 2 19.929 0.523 -5.799 734 2H6 PLY 2 2H6 PLY 2 21.051 -0.750 -6.266 735 1H7 PLY 2 1H7 PLY 2 19.836 0.158 -8.233 736 2H7 PLY 2 2H7 PLY 2 20.307 1.758 -7.691 737 1H8 PLY 2 1H8 PLY 2 22.593 -0.040 -8.090 738 2H8 PLY 2 2H8 PLY 2 21.690 0.153 -9.555 739 1H9 PLY 2 1H9 PLY 2 22.980 2.391 -7.897 740 2H9 PLY 2 2H9 PLY 2 21.759 2.722 -9.102 741 1HA PLY 2 1HA PLY 2 23.154 1.621 -10.810 742 2HA PLY 2 2HA PLY 2 23.988 2.957 -10.071 743 1HB PLY 2 1HB PLY 2 24.444 0.298 -8.721 744 2HB PLY 2 2HB PLY 2 25.544 1.621 -8.943 745 1HC PLY 2 1HC PLY 2 26.210 -0.201 -10.351 746 2HC PLY 2 2HC PLY 2 25.612 1.072 -11.398 747 1HD PLY 2 1HD PLY 2 23.929 -0.374 -12.210 748 2HD PLY 2 2HD PLY 2 23.376 -0.639 -10.583 749 1HE PLY 2 1HE PLY 2 24.687 -2.481 -10.258 750 2HE PLY 2 2HE PLY 2 23.960 -2.654 -11.826 751 1HF PLY 2 1HF PLY 2 26.857 -2.354 -11.063 752 2HF PLY 2 2HF PLY 2 26.358 -1.405 -12.474 753 1HG PLY 2 1HG PLY 2 27.217 -3.671 -13.033 754 2HG PLY 2 2HG PLY 2 25.935 -4.380 -12.058 755 3HG PLY 2 3HG PLY 2 25.532 -3.446 -13.495
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