NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22336 | 2jnu | 15128 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H SER 1 1HT SER 1 -13.958 -16.198 4.454 2 2H SER 1 2HT SER 1 -12.987 -15.795 5.779 3 3H SER 1 3HT SER 1 -14.213 -16.949 5.948 4 HA SER 1 HA SER 1 -12.031 -17.971 5.824 5 1HB SER 1 2HB SER 1 -13.766 -18.523 3.396 6 2HB SER 1 1HB SER 1 -12.634 -19.647 4.152 7 HG SER 1 HG SER 1 -14.141 -20.156 5.508 8 H MET 2 H MET 2 -12.346 -15.310 3.922 9 HA MET 2 HA MET 2 -10.997 -14.161 2.521 10 1HB MET 2 2HB MET 2 -8.924 -16.239 3.276 11 2HB MET 2 1HB MET 2 -8.593 -14.717 2.458 12 1HG MET 2 2HG MET 2 -9.664 -15.055 5.255 13 2HG MET 2 1HG MET 2 -8.037 -14.553 4.801 14 1HE MET 2 1HE MET 2 -9.753 -12.905 6.877 15 2HE MET 2 2HE MET 2 -9.483 -11.256 6.310 16 3HE MET 2 3HE MET 2 -8.149 -12.409 6.332 17 H THR 3 H THR 3 -12.495 -16.683 1.665 18 HA THR 3 HA THR 3 -11.057 -17.687 -0.607 19 HB THR 3 HB THR 3 -13.323 -18.701 -1.188 20 HG1 THR 3 1HG THR 3 -14.969 -18.458 0.277 21 1HG2 THR 3 1HG2 THR 3 -13.255 -20.335 0.642 22 2HG2 THR 3 2HG2 THR 3 -12.220 -19.256 1.576 23 3HG2 THR 3 3HG2 THR 3 -11.630 -19.958 0.068 24 H GLU 4 H GLU 4 -13.405 -15.190 0.011 25 HA GLU 4 HA GLU 4 -13.091 -14.182 -2.733 26 1HB GLU 4 2HB GLU 4 -15.670 -14.510 -1.180 27 2HB GLU 4 1HB GLU 4 -15.527 -13.413 -2.546 28 1HG GLU 4 2HG GLU 4 -14.956 -16.365 -2.725 29 2HG GLU 4 1HG GLU 4 -16.538 -15.656 -3.043 30 H GLU 5 H GLU 5 -13.710 -11.823 -2.835 31 HA GLU 5 HA GLU 5 -13.341 -10.432 -0.275 32 1HB GLU 5 2HB GLU 5 -11.644 -8.954 -1.254 33 2HB GLU 5 1HB GLU 5 -11.110 -10.629 -1.299 34 1HG GLU 5 2HG GLU 5 -11.792 -10.750 -3.674 35 2HG GLU 5 1HG GLU 5 -12.226 -9.043 -3.609 36 H GLN 6 H GLN 6 -13.936 -8.171 -0.361 37 HA GLN 6 HA GLN 6 -16.267 -7.581 -1.857 38 1HB GLN 6 2HB GLN 6 -14.381 -5.917 -0.179 39 2HB GLN 6 1HB GLN 6 -15.739 -5.184 -1.016 40 1HG GLN 6 2HG GLN 6 -16.251 -7.519 0.767 41 2HG GLN 6 1HG GLN 6 -15.916 -5.950 1.494 42 1HE2 GLN 6 1HE2 GLN 6 -18.127 -7.770 -0.496 43 2HE2 GLN 6 2HE2 GLN 6 -19.447 -6.661 -0.386 44 HA PRO 7 HA PRO 7 -14.560 -5.644 -5.588 45 1HB PRO 7 2HB PRO 7 -16.368 -3.336 -5.046 46 2HB PRO 7 1HB PRO 7 -16.263 -4.365 -6.479 47 1HG PRO 7 2HG PRO 7 -18.315 -4.586 -4.790 48 2HG PRO 7 1HG PRO 7 -17.602 -6.024 -5.550 49 1HD PRO 7 2HD PRO 7 -17.220 -4.963 -2.767 50 2HD PRO 7 1HD PRO 7 -17.429 -6.640 -3.315 51 H VAL 8 H VAL 8 -14.660 -2.624 -5.699 52 HA VAL 8 HA VAL 8 -12.161 -1.982 -4.635 53 HB VAL 8 HB VAL 8 -12.746 0.372 -4.984 54 1HG1 VAL 8 1HG1 VAL 8 -12.077 -0.964 -6.913 55 2HG1 VAL 8 2HG1 VAL 8 -13.259 0.259 -7.379 56 3HG1 VAL 8 3HG1 VAL 8 -13.757 -1.423 -7.195 57 1HG2 VAL 8 1HG2 VAL 8 -15.031 0.339 -4.130 58 2HG2 VAL 8 2HG2 VAL 8 -15.546 -0.639 -5.504 59 3HG2 VAL 8 3HG2 VAL 8 -14.984 1.013 -5.759 60 H ALA 9 H ALA 9 -15.150 -2.347 -3.031 61 HA ALA 9 HA ALA 9 -14.951 -0.604 -0.864 62 1HB ALA 9 1HB ALA 9 -16.960 -1.906 -1.370 63 2HB ALA 9 2HB ALA 9 -16.450 -2.144 0.302 64 3HB ALA 9 3HB ALA 9 -16.123 -3.387 -0.906 65 H SER 10 H SER 10 -13.220 -3.545 -1.555 66 HA SER 10 HA SER 10 -12.437 -4.315 1.006 67 1HB SER 10 2HB SER 10 -10.941 -4.615 -1.610 68 2HB SER 10 1HB SER 10 -10.565 -5.487 -0.123 69 HG SER 10 HG SER 10 -12.324 -6.133 -1.983 70 H TRP 11 H TRP 11 -11.353 -1.632 -0.919 71 HA TRP 11 HA TRP 11 -8.813 -1.198 0.192 72 1HB TRP 11 2HB TRP 11 -10.808 0.914 -0.668 73 2HB TRP 11 1HB TRP 11 -9.080 1.153 -0.457 74 HD1 TRP 11 HD TRP 11 -8.468 -1.733 -2.136 75 HE1 TRP 11 1HE TRP 11 -8.550 -1.539 -4.714 76 HE3 TRP 11 3HE TRP 11 -11.153 2.577 -2.540 77 HZ2 TRP 11 2HZ TRP 11 -9.629 0.217 -6.648 78 HZ3 TRP 11 3HZ TRP 11 -11.677 3.459 -4.759 79 HH2 TRP 11 HH TRP 11 -10.926 2.304 -6.787 80 H ALA 12 H ALA 12 -12.025 -0.089 1.231 81 HA ALA 12 HA ALA 12 -11.048 1.386 3.485 82 1HB ALA 12 1HB ALA 12 -13.862 0.490 2.845 83 2HB ALA 12 2HB ALA 12 -13.117 2.001 2.323 84 3HB ALA 12 3HB ALA 12 -13.401 1.706 4.039 85 H LEU 13 H LEU 13 -11.328 -1.877 2.966 86 HA LEU 13 HA LEU 13 -12.019 -2.574 5.713 87 1HB LEU 13 2HB LEU 13 -11.224 -4.321 3.371 88 2HB LEU 13 1HB LEU 13 -11.717 -4.917 4.945 89 HG LEU 13 HG LEU 13 -13.456 -3.383 3.002 90 1HD1 LEU 13 1HD1 LEU 13 -13.027 -5.691 2.313 91 2HD1 LEU 13 2HD1 LEU 13 -14.705 -5.466 2.805 92 3HD1 LEU 13 3HD1 LEU 13 -13.569 -6.267 3.891 93 1HD2 LEU 13 1HD2 LEU 13 -14.028 -2.821 5.309 94 2HD2 LEU 13 2HD2 LEU 13 -14.140 -4.535 5.712 95 3HD2 LEU 13 3HD2 LEU 13 -15.283 -3.819 4.575 96 H SER 14 H SER 14 -9.229 -2.539 3.551 97 HA SER 14 HA SER 14 -7.445 -2.531 5.845 98 1HB SER 14 2HB SER 14 -7.121 -4.618 3.669 99 2HB SER 14 1HB SER 14 -6.096 -4.406 5.087 100 HG SER 14 HG SER 14 -8.261 -4.733 6.232 101 H PHE 15 H PHE 15 -5.693 -1.289 5.478 102 HA PHE 15 HA PHE 15 -5.491 0.278 3.122 103 1HB PHE 15 2HB PHE 15 -4.720 1.171 5.245 104 2HB PHE 15 1HB PHE 15 -3.554 -0.136 5.418 105 HD1 PHE 15 1HD PHE 15 -4.399 2.246 2.656 106 HD2 PHE 15 2HD PHE 15 -1.395 0.648 5.220 107 HE1 PHE 15 1HE PHE 15 -2.706 3.626 1.526 108 HE2 PHE 15 2HE PHE 15 0.301 2.025 4.091 109 HZ PHE 15 HZ PHE 15 -0.355 3.515 2.242 110 H GLU 16 H GLU 16 -3.643 -2.441 4.396 111 HA GLU 16 HA GLU 16 -1.745 -2.896 2.524 112 1HB GLU 16 2HB GLU 16 -1.996 -4.299 4.470 113 2HB GLU 16 1HB GLU 16 -3.561 -4.872 3.927 114 1HG GLU 16 2HG GLU 16 -1.114 -5.408 2.285 115 2HG GLU 16 1HG GLU 16 -1.466 -6.391 3.703 116 H ARG 17 H ARG 17 -5.168 -3.907 2.284 117 HA ARG 17 HA ARG 17 -4.990 -5.119 -0.248 118 1HB ARG 17 2HB ARG 17 -6.902 -5.207 1.514 119 2HB ARG 17 1HB ARG 17 -7.489 -3.741 0.747 120 1HG ARG 17 2HG ARG 17 -7.060 -6.363 -0.692 121 2HG ARG 17 1HG ARG 17 -8.601 -5.832 -0.026 122 1HD ARG 17 2HD ARG 17 -8.487 -3.831 -1.505 123 2HD ARG 17 1HD ARG 17 -7.021 -4.493 -2.226 124 HE ARG 17 HE ARG 17 -8.964 -6.467 -2.440 125 1HH1 ARG 17 1HH1 ARG 17 -8.470 -3.206 -3.621 126 2HH1 ARG 17 2HH1 ARG 17 -9.384 -3.454 -5.072 127 1HH2 ARG 17 1HH2 ARG 17 -10.201 -6.783 -4.323 128 2HH2 ARG 17 2HH2 ARG 17 -10.390 -5.485 -5.462 129 H LEU 18 H LEU 18 -5.998 -1.828 0.687 130 HA LEU 18 HA LEU 18 -6.476 -0.745 -1.834 131 1HB LEU 18 2HB LEU 18 -7.000 0.518 0.151 132 2HB LEU 18 1HB LEU 18 -5.322 0.514 0.661 133 HG LEU 18 HG LEU 18 -4.827 1.884 -1.444 134 1HD1 LEU 18 1HD1 LEU 18 -7.814 2.270 -1.390 135 2HD1 LEU 18 2HD1 LEU 18 -6.903 1.408 -2.628 136 3HD1 LEU 18 3HD1 LEU 18 -6.664 3.140 -2.405 137 1HD2 LEU 18 1HD2 LEU 18 -5.516 3.993 -0.395 138 2HD2 LEU 18 2HD2 LEU 18 -4.788 2.877 0.759 139 3HD2 LEU 18 3HD2 LEU 18 -6.540 3.092 0.726 140 H LEU 19 H LEU 19 -3.494 -1.223 -0.096 141 HA LEU 19 HA LEU 19 -1.914 0.341 -1.940 142 1HB LEU 19 2HB LEU 19 -1.643 0.308 0.561 143 2HB LEU 19 1HB LEU 19 -1.041 -1.330 0.421 144 HG LEU 19 HG LEU 19 0.863 -0.550 -0.872 145 1HD1 LEU 19 1HD1 LEU 19 -0.310 2.208 -0.486 146 2HD1 LEU 19 2HD1 LEU 19 -0.142 1.346 -2.016 147 3HD1 LEU 19 3HD1 LEU 19 1.295 1.867 -1.137 148 1HD2 LEU 19 1HD2 LEU 19 1.073 -0.642 1.543 149 2HD2 LEU 19 2HD2 LEU 19 0.468 1.010 1.675 150 3HD2 LEU 19 3HD2 LEU 19 2.015 0.696 0.889 151 H GLN 20 H GLN 20 -2.866 -2.908 -1.574 152 HA GLN 20 HA GLN 20 -0.625 -3.992 -3.112 153 1HB GLN 20 2HB GLN 20 -1.718 -5.153 -1.087 154 2HB GLN 20 1HB GLN 20 -3.067 -5.502 -2.158 155 1HG GLN 20 2HG GLN 20 -1.699 -7.432 -2.125 156 2HG GLN 20 1HG GLN 20 -1.434 -6.654 -3.685 157 1HE2 GLN 20 1HE2 GLN 20 -0.079 -5.535 -0.650 158 2HE2 GLN 20 2HE2 GLN 20 1.569 -5.892 -1.033 159 H ASP 21 H ASP 21 -3.878 -2.926 -3.497 160 HA ASP 21 HA ASP 21 -4.311 -4.342 -6.003 161 1HB ASP 21 2HB ASP 21 -6.195 -4.206 -4.492 162 2HB ASP 21 1HB ASP 21 -6.054 -2.455 -4.403 163 HA PRO 22 HA PRO 22 -2.414 -1.142 -8.443 164 1HB PRO 22 2HB PRO 22 -4.298 -2.179 -10.520 165 2HB PRO 22 1HB PRO 22 -2.549 -1.929 -10.610 166 1HG PRO 22 2HG PRO 22 -3.539 -4.381 -10.344 167 2HG PRO 22 1HG PRO 22 -2.078 -3.901 -9.457 168 1HD PRO 22 2HD PRO 22 -4.891 -4.191 -8.467 169 2HD PRO 22 1HD PRO 22 -3.363 -4.611 -7.664 170 H LEU 23 H LEU 23 -5.940 -1.603 -8.845 171 HA LEU 23 HA LEU 23 -6.488 0.975 -9.818 172 1HB LEU 23 2HB LEU 23 -8.209 -1.025 -8.351 173 2HB LEU 23 1HB LEU 23 -8.839 0.507 -8.929 174 HG LEU 23 HG LEU 23 -7.630 -1.641 -10.686 175 1HD1 LEU 23 1HD1 LEU 23 -9.757 -2.357 -9.739 176 2HD1 LEU 23 2HD1 LEU 23 -9.928 -2.008 -11.458 177 3HD1 LEU 23 3HD1 LEU 23 -10.515 -0.853 -10.261 178 1HD2 LEU 23 1HD2 LEU 23 -7.309 0.593 -11.604 179 2HD2 LEU 23 2HD2 LEU 23 -9.021 0.954 -11.379 180 3HD2 LEU 23 3HD2 LEU 23 -8.524 -0.283 -12.535 181 H GLY 24 H GLY 24 -6.683 -0.344 -6.532 182 1HA GLY 24 2HA GLY 24 -7.566 1.925 -5.192 183 2HA GLY 24 1HA GLY 24 -6.569 0.665 -4.480 184 H LEU 25 H LEU 25 -4.218 0.837 -5.628 185 HA LEU 25 HA LEU 25 -3.016 3.039 -4.384 186 1HB LEU 25 2HB LEU 25 -2.156 0.661 -5.574 187 2HB LEU 25 1HB LEU 25 -1.398 1.912 -6.537 188 HG LEU 25 HG LEU 25 -1.122 1.547 -3.547 189 1HD1 LEU 25 1HD1 LEU 25 0.863 1.170 -5.790 190 2HD1 LEU 25 2HD1 LEU 25 0.113 -0.107 -4.831 191 3HD1 LEU 25 3HD1 LEU 25 1.215 1.037 -4.066 192 1HD2 LEU 25 1HD2 LEU 25 0.518 3.369 -3.652 193 2HD2 LEU 25 2HD2 LEU 25 -1.094 3.919 -4.110 194 3HD2 LEU 25 3HD2 LEU 25 0.124 3.626 -5.353 195 H ALA 26 H ALA 26 -4.032 2.507 -7.717 196 HA ALA 26 HA ALA 26 -2.682 4.667 -8.906 197 1HB ALA 26 1HB ALA 26 -4.231 4.419 -10.767 198 2HB ALA 26 2HB ALA 26 -5.286 3.409 -9.774 199 3HB ALA 26 3HB ALA 26 -3.671 2.844 -10.203 200 H TYR 27 H TYR 27 -6.117 4.468 -7.902 201 HA TYR 27 HA TYR 27 -6.702 7.182 -8.394 202 1HB TYR 27 2HB TYR 27 -8.018 5.250 -6.463 203 2HB TYR 27 1HB TYR 27 -8.672 6.826 -6.896 204 HD1 TYR 27 1HD TYR 27 -8.691 3.379 -7.678 205 HD2 TYR 27 2HD TYR 27 -9.047 7.226 -9.471 206 HE1 TYR 27 1HE TYR 27 -9.845 2.371 -9.596 207 HE2 TYR 27 2HE TYR 27 -10.203 6.221 -11.397 208 HH TYR 27 HH TYR 27 -11.347 2.988 -11.369 209 H PHE 28 H PHE 28 -5.578 5.494 -5.521 210 HA PHE 28 HA PHE 28 -5.651 7.608 -3.690 211 1HB PHE 28 2HB PHE 28 -5.293 5.270 -3.043 212 2HB PHE 28 1HB PHE 28 -3.746 5.254 -3.877 213 HD1 PHE 28 1HD PHE 28 -5.090 7.922 -1.656 214 HD2 PHE 28 2HD PHE 28 -2.269 4.764 -2.142 215 HE1 PHE 28 1HE PHE 28 -3.978 8.593 0.433 216 HE2 PHE 28 2HE PHE 28 -1.157 5.435 -0.055 217 HZ PHE 28 HZ PHE 28 -2.011 7.347 1.234 218 H THR 29 H THR 29 -3.199 6.635 -6.029 219 HA THR 29 HA THR 29 -1.332 8.678 -5.243 220 HB THR 29 HB THR 29 -1.343 6.837 -7.652 221 HG1 THR 29 1HG THR 29 -1.163 5.810 -5.574 222 1HG2 THR 29 1HG2 THR 29 0.061 8.813 -8.051 223 2HG2 THR 29 2HG2 THR 29 1.041 7.362 -7.848 224 3HG2 THR 29 3HG2 THR 29 0.903 8.524 -6.527 225 H GLU 30 H GLU 30 -4.029 8.466 -7.408 226 HA GLU 30 HA GLU 30 -3.296 10.547 -9.188 227 1HB GLU 30 2HB GLU 30 -5.917 9.283 -8.447 228 2HB GLU 30 1HB GLU 30 -5.897 10.740 -9.435 229 1HG GLU 30 2HG GLU 30 -4.511 8.143 -10.096 230 2HG GLU 30 1HG GLU 30 -6.018 8.724 -10.804 231 H PHE 31 H PHE 31 -5.041 10.543 -6.105 232 HA PHE 31 HA PHE 31 -5.290 13.395 -5.997 233 1HB PHE 31 2HB PHE 31 -5.343 11.275 -3.831 234 2HB PHE 31 1HB PHE 31 -5.592 12.986 -3.508 235 HD1 PHE 31 1HD PHE 31 -7.482 14.135 -4.888 236 HD2 PHE 31 2HD PHE 31 -7.179 9.931 -4.270 237 HE1 PHE 31 1HE PHE 31 -9.883 13.898 -5.352 238 HE2 PHE 31 2HE PHE 31 -9.581 9.690 -4.737 239 HZ PHE 31 HZ PHE 31 -10.935 11.675 -5.280 240 H LEU 32 H LEU 32 -3.082 11.039 -4.560 241 HA LEU 32 HA LEU 32 -1.405 13.054 -3.390 242 1HB LEU 32 2HB LEU 32 -1.928 10.609 -2.602 243 2HB LEU 32 1HB LEU 32 -0.628 10.169 -3.690 244 HG LEU 32 HG LEU 32 0.898 11.667 -2.415 245 1HD1 LEU 32 1HD1 LEU 32 -1.441 11.925 -0.523 246 2HD1 LEU 32 2HD1 LEU 32 -0.765 13.213 -1.522 247 3HD1 LEU 32 3HD1 LEU 32 0.200 12.502 -0.228 248 1HD2 LEU 32 1HD2 LEU 32 0.790 9.265 -1.932 249 2HD2 LEU 32 2HD2 LEU 32 -0.486 9.558 -0.750 250 3HD2 LEU 32 3HD2 LEU 32 1.134 10.203 -0.479 251 H LYS 33 H LYS 33 -0.976 14.191 -5.379 252 HA LYS 33 HA LYS 33 1.609 13.779 -6.350 253 1HB LYS 33 2HB LYS 33 1.176 13.324 -8.752 254 2HB LYS 33 1HB LYS 33 0.742 11.967 -7.726 255 1HG LYS 33 2HG LYS 33 -1.526 12.231 -8.101 256 2HG LYS 33 1HG LYS 33 -1.367 13.935 -8.520 257 1HD LYS 33 2HD LYS 33 -1.908 12.436 -10.455 258 2HD LYS 33 1HD LYS 33 -0.451 13.404 -10.666 259 1HE LYS 33 2HE LYS 33 -0.022 11.184 -11.472 260 2HE LYS 33 1HE LYS 33 0.898 11.424 -9.990 261 1HZ LYS 33 1HZ LYS 33 -0.111 9.269 -9.978 262 2HZ LYS 33 2HZ LYS 33 -1.647 9.919 -10.265 263 3HZ LYS 33 3HZ LYS 33 -0.859 10.221 -8.798 264 H LYS 34 H LYS 34 -1.572 15.160 -6.855 265 HA LYS 34 HA LYS 34 -0.743 17.290 -8.559 266 1HB LYS 34 2HB LYS 34 -3.245 16.960 -6.883 267 2HB LYS 34 1HB LYS 34 -3.007 18.220 -8.088 268 1HG LYS 34 2HG LYS 34 -2.776 16.498 -9.831 269 2HG LYS 34 1HG LYS 34 -3.061 15.248 -8.616 270 1HD LYS 34 2HD LYS 34 -5.292 16.117 -8.200 271 2HD LYS 34 1HD LYS 34 -5.005 17.459 -9.310 272 1HE LYS 34 2HE LYS 34 -6.336 15.775 -10.418 273 2HE LYS 34 1HE LYS 34 -4.737 15.834 -11.156 274 1HZ LYS 34 1HZ LYS 34 -5.768 13.801 -9.259 275 2HZ LYS 34 2HZ LYS 34 -4.145 13.906 -9.716 276 3HZ LYS 34 3HZ LYS 34 -5.325 13.573 -10.876 277 H GLU 35 H GLU 35 -0.966 16.869 -5.121 278 HA GLU 35 HA GLU 35 -0.173 19.664 -4.654 279 1HB GLU 35 2HB GLU 35 -0.479 18.759 -2.160 280 2HB GLU 35 1HB GLU 35 -1.842 19.311 -3.120 281 1HG GLU 35 2HG GLU 35 -2.356 17.237 -1.951 282 2HG GLU 35 1HG GLU 35 -2.406 17.019 -3.699 283 H PHE 36 H PHE 36 1.024 16.555 -4.929 284 HA PHE 36 HA PHE 36 3.087 15.691 -4.940 285 1HB PHE 36 2HB PHE 36 3.769 17.882 -5.906 286 2HB PHE 36 1HB PHE 36 4.104 18.465 -4.279 287 HD1 PHE 36 1HD PHE 36 5.021 15.718 -6.631 288 HD2 PHE 36 2HD PHE 36 6.251 18.209 -3.397 289 HE1 PHE 36 1HE PHE 36 7.296 14.795 -6.784 290 HE2 PHE 36 2HE PHE 36 8.525 17.283 -3.549 291 HZ PHE 36 HZ PHE 36 9.049 15.578 -5.244 292 H SER 37 H SER 37 1.873 14.898 -2.855 293 HA SER 37 HA SER 37 4.069 14.875 -0.879 294 1HB SER 37 2HB SER 37 2.014 15.914 0.088 295 2HB SER 37 1HB SER 37 1.125 14.434 -0.267 296 HG SER 37 HG SER 37 3.107 13.538 1.048 297 H ALA 38 H ALA 38 3.372 13.368 -3.366 298 HA ALA 38 HA ALA 38 2.554 10.743 -2.681 299 1HB ALA 38 1HB ALA 38 2.381 11.649 -4.957 300 2HB ALA 38 2HB ALA 38 3.288 10.137 -4.923 301 3HB ALA 38 3HB ALA 38 4.141 11.674 -5.077 302 H GLU 39 H GLU 39 5.357 12.362 -1.937 303 HA GLU 39 HA GLU 39 7.447 10.704 -2.563 304 1HB GLU 39 2HB GLU 39 8.465 11.645 -0.346 305 2HB GLU 39 1HB GLU 39 8.134 12.700 -1.699 306 1HG GLU 39 2HG GLU 39 7.429 13.864 0.207 307 2HG GLU 39 1HG GLU 39 5.962 13.305 -0.591 308 H ASN 40 H ASN 40 5.231 10.390 0.156 309 HA ASN 40 HA ASN 40 6.637 8.298 1.435 310 1HB ASN 40 2HB ASN 40 4.577 7.883 2.711 311 2HB ASN 40 1HB ASN 40 4.960 9.597 2.643 312 1HD2 ASN 40 1HD2 ASN 40 3.645 10.968 1.408 313 2HD2 ASN 40 2HD2 ASN 40 2.060 10.498 0.911 314 H VAL 41 H VAL 41 3.708 8.073 -0.657 315 HA VAL 41 HA VAL 41 3.661 5.264 -0.655 316 HB VAL 41 HB VAL 41 2.159 5.399 -2.605 317 1HG1 VAL 41 1HG1 VAL 41 1.533 7.415 -0.450 318 2HG1 VAL 41 2HG1 VAL 41 1.247 5.677 -0.366 319 3HG1 VAL 41 3HG1 VAL 41 0.360 6.662 -1.531 320 1HG2 VAL 41 1HG2 VAL 41 2.734 8.366 -2.539 321 2HG2 VAL 41 2HG2 VAL 41 1.501 7.578 -3.525 322 3HG2 VAL 41 3HG2 VAL 41 3.208 7.241 -3.813 323 H THR 42 H THR 42 5.255 7.560 -2.836 324 HA THR 42 HA THR 42 6.012 5.500 -4.687 325 HB THR 42 HB THR 42 5.681 7.855 -5.423 326 HG1 THR 42 1HG THR 42 8.117 6.489 -5.894 327 1HG2 THR 42 1HG2 THR 42 6.731 9.007 -3.531 328 2HG2 THR 42 2HG2 THR 42 7.462 9.495 -5.059 329 3HG2 THR 42 3HG2 THR 42 8.300 8.358 -4.003 330 H PHE 43 H PHE 43 7.381 6.856 -1.780 331 HA PHE 43 HA PHE 43 9.997 5.742 -2.129 332 1HB PHE 43 2HB PHE 43 9.671 7.501 -0.477 333 2HB PHE 43 1HB PHE 43 8.495 6.519 0.390 334 HD1 PHE 43 1HD PHE 43 12.073 6.584 -0.649 335 HD2 PHE 43 2HD PHE 43 9.194 5.129 2.135 336 HE1 PHE 43 1HE PHE 43 13.882 5.659 0.735 337 HE2 PHE 43 2HE PHE 43 11.003 4.206 3.524 338 HZ PHE 43 HZ PHE 43 13.348 4.468 2.826 339 H TRP 44 H TRP 44 7.023 4.690 -0.522 340 HA TRP 44 HA TRP 44 7.909 2.166 0.332 341 1HB TRP 44 2HB TRP 44 5.758 3.273 1.018 342 2HB TRP 44 1HB TRP 44 5.107 2.912 -0.576 343 HD1 TRP 44 HD TRP 44 6.024 1.239 2.738 344 HE1 TRP 44 1HE TRP 44 4.980 -1.111 2.802 345 HE3 TRP 44 3HE TRP 44 4.316 1.005 -2.070 346 HZ2 TRP 44 2HZ TRP 44 3.607 -2.843 1.030 347 HZ3 TRP 44 3HZ TRP 44 3.145 -1.035 -2.812 348 HH2 TRP 44 HH TRP 44 2.797 -2.917 -1.292 349 H LYS 45 H LYS 45 6.455 3.268 -2.693 350 HA LYS 45 HA LYS 45 6.442 0.832 -4.094 351 1HB LYS 45 2HB LYS 45 6.608 3.709 -4.984 352 2HB LYS 45 1HB LYS 45 6.642 2.390 -6.146 353 1HG LYS 45 2HG LYS 45 4.451 1.662 -5.457 354 2HG LYS 45 1HG LYS 45 4.418 2.871 -4.170 355 1HD LYS 45 2HD LYS 45 4.260 4.656 -5.696 356 2HD LYS 45 1HD LYS 45 4.771 3.653 -7.056 357 1HE LYS 45 2HE LYS 45 2.178 3.314 -5.548 358 2HE LYS 45 1HE LYS 45 2.347 4.181 -7.074 359 1HZ LYS 45 1HZ LYS 45 3.106 2.151 -8.120 360 2HZ LYS 45 2HZ LYS 45 1.592 1.909 -7.406 361 3HZ LYS 45 3HZ LYS 45 2.985 1.308 -6.655 362 H ALA 46 H ALA 46 8.945 3.259 -3.612 363 HA ALA 46 HA ALA 46 10.803 2.227 -5.483 364 1HB ALA 46 1HB ALA 46 11.325 3.900 -3.019 365 2HB ALA 46 2HB ALA 46 10.914 4.522 -4.617 366 3HB ALA 46 3HB ALA 46 12.431 3.661 -4.371 367 H CYS 47 H CYS 47 10.356 1.735 -2.003 368 HA CYS 47 HA CYS 47 12.576 -0.013 -1.683 369 1HB CYS 47 2HB CYS 47 10.086 0.255 0.022 370 2HB CYS 47 1HB CYS 47 11.590 -0.526 0.504 371 HG CYS 47 HG CYS 47 11.316 2.803 -0.252 372 H GLU 48 H GLU 48 9.146 -0.472 -2.354 373 HA GLU 48 HA GLU 48 9.112 -3.292 -2.375 374 1HB GLU 48 2HB GLU 48 7.046 -2.070 -2.289 375 2HB GLU 48 1HB GLU 48 7.412 -1.215 -3.776 376 1HG GLU 48 2HG GLU 48 7.298 -4.138 -4.061 377 2HG GLU 48 1HG GLU 48 5.782 -3.394 -3.564 378 H ARG 49 H ARG 49 9.837 -0.879 -4.817 379 HA ARG 49 HA ARG 49 10.273 -2.570 -7.031 380 1HB ARG 49 2HB ARG 49 10.012 -0.134 -7.230 381 2HB ARG 49 1HB ARG 49 11.491 0.117 -6.319 382 1HG ARG 49 2HG ARG 49 12.059 0.484 -8.563 383 2HG ARG 49 1HG ARG 49 12.694 -1.114 -8.177 384 1HD ARG 49 2HD ARG 49 10.773 -2.154 -9.267 385 2HD ARG 49 1HD ARG 49 10.096 -0.563 -9.617 386 HE ARG 49 HE ARG 49 12.230 -1.901 -11.013 387 1HH1 ARG 49 1HH1 ARG 49 10.782 1.210 -10.300 388 2HH1 ARG 49 2HH1 ARG 49 11.462 1.991 -11.690 389 1HH2 ARG 49 1HH2 ARG 49 13.131 -0.875 -12.842 390 2HH2 ARG 49 2HH2 ARG 49 12.794 0.800 -13.144 391 H PHE 50 H PHE 50 12.229 -1.583 -4.326 392 HA PHE 50 HA PHE 50 14.733 -2.488 -5.345 393 1HB PHE 50 2HB PHE 50 14.309 -0.711 -3.549 394 2HB PHE 50 1HB PHE 50 14.025 -2.043 -2.439 395 HD1 PHE 50 1HD PHE 50 15.825 -2.862 -1.211 396 HD2 PHE 50 2HD PHE 50 16.566 -0.813 -4.869 397 HE1 PHE 50 1HE PHE 50 18.242 -2.969 -0.783 398 HE2 PHE 50 2HE PHE 50 18.983 -0.925 -4.443 399 HZ PHE 50 HZ PHE 50 19.826 -2.002 -2.400 400 H GLN 51 H GLN 51 12.366 -3.814 -3.024 401 HA GLN 51 HA GLN 51 13.862 -6.218 -2.579 402 1HB GLN 51 2HB GLN 51 11.904 -7.017 -1.357 403 2HB GLN 51 1HB GLN 51 12.311 -5.375 -0.877 404 1HG GLN 51 2HG GLN 51 10.495 -4.484 -2.178 405 2HG GLN 51 1HG GLN 51 10.137 -6.077 -2.843 406 1HE2 GLN 51 1HE2 GLN 51 9.096 -7.604 -1.551 407 2HE2 GLN 51 2HE2 GLN 51 8.318 -7.180 -0.069 408 H GLN 52 H GLN 52 11.800 -5.138 -5.056 409 HA GLN 52 HA GLN 52 10.839 -7.637 -6.007 410 1HB GLN 52 2HB GLN 52 9.913 -5.410 -6.673 411 2HB GLN 52 1HB GLN 52 11.382 -5.099 -7.581 412 1HG GLN 52 2HG GLN 52 9.950 -7.596 -8.259 413 2HG GLN 52 1HG GLN 52 9.118 -6.097 -8.655 414 1HE2 GLN 52 1HE2 GLN 52 9.279 -6.448 -10.858 415 2HE2 GLN 52 2HE2 GLN 52 10.772 -6.309 -11.724 416 H ILE 53 H ILE 53 13.818 -5.866 -6.337 417 HA ILE 53 HA ILE 53 14.898 -7.349 -8.525 418 HB ILE 53 HB ILE 53 16.399 -5.781 -6.411 419 1HG1 ILE 53 2HG1 ILE 53 15.372 -4.817 -9.096 420 2HG1 ILE 53 1HG1 ILE 53 14.647 -4.420 -7.541 421 1HG2 ILE 53 1HG2 ILE 53 18.144 -5.568 -8.127 422 2HG2 ILE 53 2HG2 ILE 53 17.193 -6.578 -9.217 423 3HG2 ILE 53 3HG2 ILE 53 17.835 -7.256 -7.721 424 1HD1 ILE 53 1HD1 ILE 53 16.710 -3.290 -6.873 425 2HD1 ILE 53 2HD1 ILE 53 16.030 -2.602 -8.347 426 3HD1 ILE 53 3HD1 ILE 53 17.423 -3.678 -8.439 427 HA PRO 54 HA PRO 54 16.089 -11.017 -6.171 428 1HB PRO 54 2HB PRO 54 17.917 -11.475 -8.464 429 2HB PRO 54 1HB PRO 54 16.642 -12.516 -7.819 430 1HG PRO 54 2HG PRO 54 16.345 -11.228 -10.153 431 2HG PRO 54 1HG PRO 54 14.981 -11.466 -9.045 432 1HD PRO 54 2HD PRO 54 16.641 -9.012 -9.509 433 2HD PRO 54 1HD PRO 54 14.886 -9.156 -9.266 434 H ALA 55 H ALA 55 17.640 -11.199 -4.651 435 HA ALA 55 HA ALA 55 19.615 -9.291 -4.219 436 1HB ALA 55 1HB ALA 55 18.727 -10.773 -2.474 437 2HB ALA 55 2HB ALA 55 20.490 -10.801 -2.515 438 3HB ALA 55 3HB ALA 55 19.570 -12.138 -3.207 439 H SER 56 H SER 56 19.641 -12.083 -6.221 440 HA SER 56 HA SER 56 22.362 -12.638 -6.434 441 1HB SER 56 2HB SER 56 20.285 -12.878 -8.628 442 2HB SER 56 1HB SER 56 21.776 -13.810 -8.468 443 HG SER 56 HG SER 56 20.116 -15.054 -7.673 444 H ASP 57 H ASP 57 20.332 -10.322 -8.229 445 HA ASP 57 HA ASP 57 22.651 -9.438 -9.766 446 1HB ASP 57 2HB ASP 57 20.262 -9.745 -10.738 447 2HB ASP 57 1HB ASP 57 19.896 -8.215 -9.946 448 H THR 58 H THR 58 23.738 -8.706 -7.858 449 HA THR 58 HA THR 58 22.762 -6.689 -6.154 450 HB THR 58 HB THR 58 25.672 -7.229 -6.793 451 HG1 THR 58 1HG THR 58 23.751 -8.758 -5.456 452 1HG2 THR 58 1HG2 THR 58 26.023 -6.569 -4.444 453 2HG2 THR 58 2HG2 THR 58 24.298 -6.240 -4.281 454 3HG2 THR 58 3HG2 THR 58 25.281 -5.267 -5.374 455 H GLN 59 H GLN 59 24.082 -6.590 -9.335 456 HA GLN 59 HA GLN 59 25.081 -3.947 -9.358 457 1HB GLN 59 2HB GLN 59 25.660 -5.643 -11.063 458 2HB GLN 59 1HB GLN 59 24.007 -5.602 -11.659 459 1HG GLN 59 2HG GLN 59 24.262 -3.340 -12.408 460 2HG GLN 59 1HG GLN 59 25.843 -3.212 -11.639 461 1HE2 GLN 59 1HE2 GLN 59 25.087 -2.827 -14.434 462 2HE2 GLN 59 2HE2 GLN 59 26.050 -3.937 -15.344 463 H GLN 60 H GLN 60 21.916 -5.332 -10.224 464 HA GLN 60 HA GLN 60 20.737 -2.875 -11.019 465 1HB GLN 60 2HB GLN 60 19.890 -5.273 -11.465 466 2HB GLN 60 1HB GLN 60 19.202 -5.203 -9.849 467 1HG GLN 60 2HG GLN 60 17.465 -4.634 -11.342 468 2HG GLN 60 1HG GLN 60 17.968 -3.127 -10.577 469 1HE2 GLN 60 1HE2 GLN 60 16.577 -3.506 -13.089 470 2HE2 GLN 60 2HE2 GLN 60 17.569 -2.811 -14.327 471 H LEU 61 H LEU 61 20.860 -4.653 -7.974 472 HA LEU 61 HA LEU 61 19.276 -3.018 -6.375 473 1HB LEU 61 2HB LEU 61 21.771 -4.590 -5.712 474 2HB LEU 61 1HB LEU 61 20.782 -3.806 -4.493 475 HG LEU 61 HG LEU 61 19.759 -5.949 -6.368 476 1HD1 LEU 61 1HD1 LEU 61 19.885 -7.459 -4.441 477 2HD1 LEU 61 2HD1 LEU 61 20.674 -6.194 -3.499 478 3HD1 LEU 61 3HD1 LEU 61 21.482 -6.876 -4.910 479 1HD2 LEU 61 1HD2 LEU 61 18.027 -4.451 -5.515 480 2HD2 LEU 61 2HD2 LEU 61 18.584 -4.729 -3.864 481 3HD2 LEU 61 3HD2 LEU 61 17.882 -6.054 -4.793 482 H ALA 62 H ALA 62 22.716 -2.743 -7.189 483 HA ALA 62 HA ALA 62 23.337 -0.523 -5.597 484 1HB ALA 62 1HB ALA 62 25.040 -1.923 -6.658 485 2HB ALA 62 2HB ALA 62 25.267 -0.225 -7.078 486 3HB ALA 62 3HB ALA 62 24.546 -1.335 -8.246 487 H GLN 63 H GLN 63 22.095 -0.754 -8.892 488 HA GLN 63 HA GLN 63 22.202 1.998 -9.509 489 1HB GLN 63 2HB GLN 63 20.326 -0.111 -10.610 490 2HB GLN 63 1HB GLN 63 20.644 1.457 -11.337 491 1HG GLN 63 2HG GLN 63 22.817 -0.571 -10.885 492 2HG GLN 63 1HG GLN 63 21.817 -0.571 -12.332 493 1HE2 GLN 63 1HE2 GLN 63 22.878 2.397 -10.739 494 2HE2 GLN 63 2HE2 GLN 63 23.957 2.883 -11.988 495 H GLU 64 H GLU 64 19.562 -0.044 -8.279 496 HA GLU 64 HA GLU 64 17.643 2.040 -8.245 497 1HB GLU 64 2HB GLU 64 17.244 -0.498 -8.227 498 2HB GLU 64 1HB GLU 64 17.550 -0.420 -6.498 499 1HG GLU 64 2HG GLU 64 15.173 -0.379 -6.934 500 2HG GLU 64 1HG GLU 64 15.689 1.160 -6.243 501 H ALA 65 H ALA 65 19.934 0.807 -5.878 502 HA ALA 65 HA ALA 65 18.954 2.045 -3.576 503 1HB ALA 65 1HB ALA 65 20.716 0.333 -3.548 504 2HB ALA 65 2HB ALA 65 21.190 1.775 -2.647 505 3HB ALA 65 3HB ALA 65 21.843 1.487 -4.261 506 H ARG 66 H ARG 66 21.312 3.249 -5.975 507 HA ARG 66 HA ARG 66 21.728 5.719 -4.618 508 1HB ARG 66 2HB ARG 66 22.917 6.456 -6.604 509 2HB ARG 66 1HB ARG 66 23.380 4.807 -6.207 510 1HG ARG 66 2HG ARG 66 22.035 3.932 -7.989 511 2HG ARG 66 1HG ARG 66 21.350 5.525 -8.317 512 1HD ARG 66 2HD ARG 66 24.246 4.727 -8.648 513 2HD ARG 66 1HD ARG 66 23.077 4.958 -9.950 514 HE ARG 66 HE ARG 66 24.213 7.072 -8.239 515 1HH1 ARG 66 1HH1 ARG 66 22.412 6.118 -11.095 516 2HH1 ARG 66 2HH1 ARG 66 22.441 7.708 -11.795 517 1HH2 ARG 66 1HH2 ARG 66 24.248 9.163 -9.162 518 2HH2 ARG 66 2HH2 ARG 66 23.487 9.435 -10.700 519 H ASN 67 H ASN 67 19.419 4.637 -7.030 520 HA ASN 67 HA ASN 67 18.400 7.150 -7.815 521 1HB ASN 67 2HB ASN 67 16.906 4.518 -7.547 522 2HB ASN 67 1HB ASN 67 16.321 5.935 -8.410 523 1HD2 ASN 67 1HD2 ASN 67 16.713 3.290 -9.408 524 2HD2 ASN 67 2HD2 ASN 67 17.851 3.408 -10.706 525 H ILE 68 H ILE 68 17.089 4.840 -5.464 526 HA ILE 68 HA ILE 68 15.117 6.470 -4.352 527 HB ILE 68 HB ILE 68 16.665 4.277 -2.940 528 1HG1 ILE 68 2HG1 ILE 68 14.152 4.068 -4.631 529 2HG1 ILE 68 1HG1 ILE 68 15.754 3.542 -5.131 530 1HG2 ILE 68 1HG2 ILE 68 15.300 5.609 -1.420 531 2HG2 ILE 68 2HG2 ILE 68 14.617 3.994 -1.610 532 3HG2 ILE 68 3HG2 ILE 68 13.887 5.364 -2.448 533 1HD1 ILE 68 1HD1 ILE 68 14.378 1.673 -4.415 534 2HD1 ILE 68 2HD1 ILE 68 14.176 2.414 -2.828 535 3HD1 ILE 68 3HD1 ILE 68 15.771 1.878 -3.356 536 H TYR 69 H TYR 69 18.499 6.030 -3.500 537 HA TYR 69 HA TYR 69 18.594 7.429 -1.103 538 1HB TYR 69 2HB TYR 69 20.468 6.080 -1.896 539 2HB TYR 69 1HB TYR 69 20.718 7.176 -3.249 540 HD1 TYR 69 1HD TYR 69 21.033 6.810 0.417 541 HD2 TYR 69 2HD TYR 69 21.894 9.244 -2.972 542 HE1 TYR 69 1HE TYR 69 22.576 8.157 1.781 543 HE2 TYR 69 2HE TYR 69 23.432 10.593 -1.624 544 HH TYR 69 HH TYR 69 23.711 11.147 0.854 545 H GLN 70 H GLN 70 19.518 8.695 -4.315 546 HA GLN 70 HA GLN 70 19.949 11.322 -3.423 547 1HB GLN 70 2HB GLN 70 19.347 10.252 -6.182 548 2HB GLN 70 1HB GLN 70 19.835 11.912 -5.863 549 1HG GLN 70 2HG GLN 70 21.971 11.217 -5.072 550 2HG GLN 70 1HG GLN 70 21.496 9.518 -5.085 551 1HE2 GLN 70 1HE2 GLN 70 21.282 8.459 -7.092 552 2HE2 GLN 70 2HE2 GLN 70 22.014 9.081 -8.529 553 H GLU 71 H GLU 71 17.032 9.704 -4.424 554 HA GLU 71 HA GLU 71 15.595 12.130 -4.984 555 1HB GLU 71 2HB GLU 71 15.129 10.053 -6.220 556 2HB GLU 71 1HB GLU 71 14.625 9.273 -4.728 557 1HG GLU 71 2HG GLU 71 12.680 9.886 -5.979 558 2HG GLU 71 1HG GLU 71 12.772 10.907 -4.546 559 H PHE 72 H PHE 72 15.468 9.669 -2.405 560 HA PHE 72 HA PHE 72 13.568 11.407 -0.952 561 1HB PHE 72 2HB PHE 72 14.000 8.432 -0.582 562 2HB PHE 72 1HB PHE 72 12.725 9.414 0.129 563 HD1 PHE 72 1HD PHE 72 13.695 7.389 -2.649 564 HD2 PHE 72 2HD PHE 72 11.022 10.478 -1.441 565 HE1 PHE 72 1HE PHE 72 12.237 6.870 -4.560 566 HE2 PHE 72 2HE PHE 72 9.563 9.963 -3.350 567 HZ PHE 72 HZ PHE 72 10.167 8.157 -4.912 568 H LEU 73 H LEU 73 16.619 9.735 -0.716 569 HA LEU 73 HA LEU 73 16.600 9.967 2.216 570 1HB LEU 73 2HB LEU 73 18.352 8.263 0.448 571 2HB LEU 73 1HB LEU 73 18.224 8.170 2.195 572 HG LEU 73 HG LEU 73 15.886 7.629 0.358 573 1HD1 LEU 73 1HD1 LEU 73 16.316 5.243 0.698 574 2HD1 LEU 73 2HD1 LEU 73 17.819 5.633 1.533 575 3HD1 LEU 73 3HD1 LEU 73 17.631 6.028 -0.174 576 1HD2 LEU 73 1HD2 LEU 73 14.972 6.494 2.336 577 2HD2 LEU 73 2HD2 LEU 73 15.286 8.202 2.641 578 3HD2 LEU 73 3HD2 LEU 73 16.393 6.977 3.263 579 H SER 74 H SER 74 18.011 11.419 -0.507 580 HA SER 74 HA SER 74 20.631 11.885 0.531 581 1HB SER 74 2HB SER 74 20.288 12.011 -1.858 582 2HB SER 74 1HB SER 74 19.074 13.275 -1.667 583 HG SER 74 HG SER 74 21.436 13.809 -2.208 584 H SER 75 H SER 75 21.516 13.930 1.183 585 HA SER 75 HA SER 75 19.909 15.410 3.011 586 1HB SER 75 2HB SER 75 21.996 16.926 3.023 587 2HB SER 75 1HB SER 75 22.215 15.252 3.537 588 HG SER 75 HG SER 75 23.351 14.835 1.792 589 H GLN 76 H GLN 76 20.537 15.599 -0.338 590 HA GLN 76 HA GLN 76 19.251 18.255 -0.525 591 1HB GLN 76 2HB GLN 76 20.972 16.837 -2.581 592 2HB GLN 76 1HB GLN 76 20.296 18.454 -2.732 593 1HG GLN 76 2HG GLN 76 21.691 19.241 -0.911 594 2HG GLN 76 1HG GLN 76 22.321 17.612 -0.660 595 1HE2 GLN 76 1HE2 GLN 76 22.378 20.425 -2.692 596 2HE2 GLN 76 2HE2 GLN 76 23.753 19.968 -3.633 597 H ALA 77 H ALA 77 18.041 15.575 -0.162 598 HA ALA 77 HA ALA 77 17.071 14.402 -2.479 599 1HB ALA 77 1HB ALA 77 16.899 13.395 -0.247 600 2HB ALA 77 2HB ALA 77 15.344 13.410 -1.079 601 3HB ALA 77 3HB ALA 77 15.674 14.587 0.193 602 H LEU 78 H LEU 78 15.373 14.735 -3.810 603 HA LEU 78 HA LEU 78 14.162 17.355 -3.826 604 1HB LEU 78 2HB LEU 78 13.767 14.963 -5.638 605 2HB LEU 78 1HB LEU 78 13.024 16.528 -5.892 606 HG LEU 78 HG LEU 78 15.355 17.500 -6.075 607 1HD1 LEU 78 1HD1 LEU 78 16.601 15.732 -4.962 608 2HD1 LEU 78 2HD1 LEU 78 17.185 15.962 -6.610 609 3HD1 LEU 78 3HD1 LEU 78 16.145 14.590 -6.226 610 1HD2 LEU 78 1HD2 LEU 78 13.972 17.084 -8.033 611 2HD2 LEU 78 2HD2 LEU 78 14.532 15.414 -8.098 612 3HD2 LEU 78 3HD2 LEU 78 15.664 16.736 -8.386 613 H SER 79 H SER 79 13.363 14.183 -2.760 614 HA SER 79 HA SER 79 10.749 15.155 -1.826 615 1HB SER 79 2HB SER 79 11.168 12.331 -2.838 616 2HB SER 79 1HB SER 79 9.647 13.140 -2.467 617 HG SER 79 HG SER 79 11.321 13.398 -4.692 618 HA PRO 80 HA PRO 80 13.518 13.419 1.499 619 1HB PRO 80 2HB PRO 80 12.930 15.302 3.381 620 2HB PRO 80 1HB PRO 80 14.172 15.526 2.143 621 1HG PRO 80 2HG PRO 80 11.345 16.528 2.190 622 2HG PRO 80 1HG PRO 80 12.828 17.383 1.722 623 1HD PRO 80 2HD PRO 80 11.127 16.338 -0.104 624 2HD PRO 80 1HD PRO 80 12.881 16.403 -0.374 625 H VAL 81 H VAL 81 12.344 11.575 1.932 626 HA VAL 81 HA VAL 81 9.780 11.657 3.235 627 HB VAL 81 HB VAL 81 10.046 9.207 3.486 628 1HG1 VAL 81 1HG1 VAL 81 10.693 10.277 0.735 629 2HG1 VAL 81 2HG1 VAL 81 9.085 10.098 1.440 630 3HG1 VAL 81 3HG1 VAL 81 10.055 8.669 1.081 631 1HG2 VAL 81 1HG2 VAL 81 12.750 9.644 2.199 632 2HG2 VAL 81 2HG2 VAL 81 11.996 8.077 2.493 633 3HG2 VAL 81 3HG2 VAL 81 12.459 9.099 3.853 634 H ASN 82 H ASN 82 9.310 11.274 5.384 635 HA ASN 82 HA ASN 82 11.439 12.082 7.186 636 1HB ASN 82 2HB ASN 82 8.456 11.785 7.602 637 2HB ASN 82 1HB ASN 82 9.577 12.286 8.865 638 1HD2 ASN 82 1HD2 ASN 82 10.576 14.310 8.716 639 2HD2 ASN 82 2HD2 ASN 82 9.970 15.552 7.677 640 H ILE 83 H ILE 83 12.714 10.385 7.550 641 HA ILE 83 HA ILE 83 11.638 8.292 9.311 642 HB ILE 83 HB ILE 83 13.156 6.618 8.314 643 1HG1 ILE 83 2HG1 ILE 83 13.751 8.815 6.297 644 2HG1 ILE 83 1HG1 ILE 83 14.891 8.091 7.427 645 1HG2 ILE 83 1HG2 ILE 83 10.852 6.713 7.533 646 2HG2 ILE 83 2HG2 ILE 83 11.940 6.202 6.244 647 3HG2 ILE 83 3HG2 ILE 83 11.315 7.852 6.267 648 1HD1 ILE 83 1HD1 ILE 83 15.207 7.275 5.155 649 2HD1 ILE 83 2HD1 ILE 83 13.553 6.662 5.139 650 3HD1 ILE 83 3HD1 ILE 83 14.738 5.976 6.250 651 H ASP 84 H ASP 84 13.701 7.218 10.465 652 HA ASP 84 HA ASP 84 14.945 9.463 11.746 653 1HB ASP 84 2HB ASP 84 16.009 7.846 13.246 654 2HB ASP 84 1HB ASP 84 14.288 7.542 13.093 655 H ARG 85 H ARG 85 16.342 10.539 10.558 656 HA ARG 85 HA ARG 85 18.213 9.280 8.767 657 1HB ARG 85 2HB ARG 85 18.033 12.167 9.672 658 2HB ARG 85 1HB ARG 85 18.971 11.571 8.310 659 1HG ARG 85 2HG ARG 85 15.963 11.442 8.525 660 2HG ARG 85 1HG ARG 85 16.868 12.674 7.643 661 1HD ARG 85 2HD ARG 85 17.840 10.900 6.221 662 2HD ARG 85 1HD ARG 85 16.861 9.708 7.077 663 HE ARG 85 HE ARG 85 14.918 10.613 6.078 664 1HH1 ARG 85 1HH1 ARG 85 17.851 12.168 4.952 665 2HH1 ARG 85 2HH1 ARG 85 17.101 12.822 3.531 666 1HH2 ARG 85 1HH2 ARG 85 13.935 11.484 4.200 667 2HH2 ARG 85 2HH2 ARG 85 14.897 12.413 3.088 668 H GLN 86 H GLN 86 18.260 10.721 11.955 669 HA GLN 86 HA GLN 86 20.947 11.128 12.406 670 1HB GLN 86 2HB GLN 86 19.163 11.770 13.979 671 2HB GLN 86 1HB GLN 86 18.887 10.077 14.365 672 1HG GLN 86 2HG GLN 86 20.164 11.060 16.126 673 2HG GLN 86 1HG GLN 86 21.208 9.947 15.242 674 1HE2 GLN 86 1HE2 GLN 86 23.096 10.937 15.878 675 2HE2 GLN 86 2HE2 GLN 86 23.578 12.501 15.318 676 H ALA 87 H ALA 87 19.110 8.116 12.741 677 HA ALA 87 HA ALA 87 21.626 6.652 13.223 678 1HB ALA 87 1HB ALA 87 18.792 5.791 13.822 679 2HB ALA 87 2HB ALA 87 19.933 6.447 14.996 680 3HB ALA 87 3HB ALA 87 20.263 4.899 14.217 681 H TRP 88 H TRP 88 20.296 7.555 10.615 682 HA TRP 88 HA TRP 88 19.495 5.103 9.353 683 1HB TRP 88 2HB TRP 88 18.777 7.512 8.703 684 2HB TRP 88 1HB TRP 88 20.315 7.587 7.846 685 HD1 TRP 88 HD TRP 88 17.108 5.421 7.915 686 HE1 TRP 88 1HE TRP 88 16.735 4.461 5.557 687 HE3 TRP 88 3HE TRP 88 21.320 7.203 5.629 688 HZ2 TRP 88 2HZ TRP 88 18.047 4.458 3.066 689 HZ3 TRP 88 3HZ TRP 88 21.686 6.670 3.251 690 HH2 TRP 88 HH TRP 88 20.084 5.327 2.003 691 H LEU 89 H LEU 89 20.640 4.293 7.391 692 HA LEU 89 HA LEU 89 23.161 3.355 8.206 693 1HB LEU 89 2HB LEU 89 21.910 3.237 5.451 694 2HB LEU 89 1HB LEU 89 23.296 2.300 5.973 695 HG LEU 89 HG LEU 89 21.762 1.272 7.739 696 1HD1 LEU 89 1HD1 LEU 89 19.369 1.319 7.293 697 2HD1 LEU 89 2HD1 LEU 89 19.617 2.465 5.975 698 3HD1 LEU 89 3HD1 LEU 89 19.971 2.940 7.638 699 1HD2 LEU 89 1HD2 LEU 89 22.497 0.065 5.756 700 2HD2 LEU 89 2HD2 LEU 89 21.174 0.763 4.820 701 3HD2 LEU 89 3HD2 LEU 89 20.827 -0.340 6.152 702 H GLY 90 H GLY 90 22.455 5.202 5.249 703 1HA GLY 90 2HA GLY 90 23.587 7.177 4.571 704 2HA GLY 90 1HA GLY 90 24.917 6.756 5.643 705 H GLU 91 H GLU 91 26.629 6.545 4.357 706 HA GLU 91 HA GLU 91 26.648 5.808 1.670 707 1HB GLU 91 2HB GLU 91 28.477 7.005 2.848 708 2HB GLU 91 1HB GLU 91 28.895 5.514 3.680 709 1HG GLU 91 2HG GLU 91 29.439 4.467 1.531 710 2HG GLU 91 1HG GLU 91 29.017 5.964 0.699 711 H GLU 92 H GLU 92 26.373 3.818 4.466 712 HA GLU 92 HA GLU 92 27.690 1.497 3.595 713 1HB GLU 92 2HB GLU 92 27.063 1.854 5.944 714 2HB GLU 92 1HB GLU 92 25.358 1.767 5.514 715 1HG GLU 92 2HG GLU 92 25.653 -0.558 4.805 716 2HG GLU 92 1HG GLU 92 27.360 -0.472 5.229 717 H VAL 93 H VAL 93 24.456 2.747 3.034 718 HA VAL 93 HA VAL 93 23.437 0.265 2.082 719 HB VAL 93 HB VAL 93 21.999 2.080 3.061 720 1HG1 VAL 93 1HG1 VAL 93 22.345 3.357 0.346 721 2HG1 VAL 93 2HG1 VAL 93 22.941 3.993 1.879 722 3HG1 VAL 93 3HG1 VAL 93 21.207 3.868 1.593 723 1HG2 VAL 93 1HG2 VAL 93 20.099 1.636 1.584 724 2HG2 VAL 93 2HG2 VAL 93 21.043 0.176 1.874 725 3HG2 VAL 93 3HG2 VAL 93 21.199 1.036 0.341 726 H LEU 94 H LEU 94 25.179 2.888 0.665 727 HA LEU 94 HA LEU 94 24.683 2.037 -2.064 728 1HB LEU 94 2HB LEU 94 26.706 3.988 -0.928 729 2HB LEU 94 1HB LEU 94 26.512 3.652 -2.635 730 HG LEU 94 HG LEU 94 25.406 5.692 -2.271 731 1HD1 LEU 94 1HD1 LEU 94 23.063 5.233 -2.756 732 2HD1 LEU 94 2HD1 LEU 94 23.270 3.560 -2.236 733 3HD1 LEU 94 3HD1 LEU 94 24.125 4.153 -3.660 734 1HD2 LEU 94 1HD2 LEU 94 23.730 6.066 -0.520 735 2HD2 LEU 94 2HD2 LEU 94 25.308 5.655 0.154 736 3HD2 LEU 94 3HD2 LEU 94 24.029 4.444 0.106 737 H ALA 95 H ALA 95 27.013 1.566 0.477 738 HA ALA 95 HA ALA 95 29.104 0.427 -1.038 739 1HB ALA 95 1HB ALA 95 28.421 0.003 1.875 740 2HB ALA 95 2HB ALA 95 29.427 1.300 1.229 741 3HB ALA 95 3HB ALA 95 29.963 -0.375 1.107 742 H GLU 96 H GLU 96 26.415 -1.038 0.774 743 HA GLU 96 HA GLU 96 26.756 -3.467 -0.841 744 1HB GLU 96 2HB GLU 96 26.244 -4.860 1.147 745 2HB GLU 96 1HB GLU 96 27.769 -3.997 1.283 746 1HG GLU 96 2HG GLU 96 26.802 -2.400 2.796 747 2HG GLU 96 1HG GLU 96 25.193 -3.075 2.550 748 HA PRO 97 HA PRO 97 22.343 -2.304 -1.043 749 1HB PRO 97 2HB PRO 97 21.984 -2.875 -3.641 750 2HB PRO 97 1HB PRO 97 22.726 -1.355 -3.123 751 1HG PRO 97 2HG PRO 97 24.041 -3.850 -4.144 752 2HG PRO 97 1HG PRO 97 24.406 -2.156 -4.526 753 1HD PRO 97 2HD PRO 97 25.828 -3.650 -2.712 754 2HD PRO 97 1HD PRO 97 25.693 -1.882 -2.642 755 H ARG 98 H ARG 98 20.895 -3.742 -0.399 756 HA ARG 98 HA ARG 98 20.811 -6.423 -1.526 757 1HB ARG 98 2HB ARG 98 20.759 -7.487 0.706 758 2HB ARG 98 1HB ARG 98 22.295 -6.689 0.399 759 1HG ARG 98 2HG ARG 98 21.194 -4.689 1.679 760 2HG ARG 98 1HG ARG 98 20.115 -5.937 2.301 761 1HD ARG 98 2HD ARG 98 23.131 -5.972 2.499 762 2HD ARG 98 1HD ARG 98 22.027 -5.521 3.797 763 HE ARG 98 HE ARG 98 21.261 -8.049 3.001 764 1HH1 ARG 98 1HH1 ARG 98 24.197 -6.585 4.247 765 2HH1 ARG 98 2HH1 ARG 98 24.684 -8.008 5.116 766 1HH2 ARG 98 1HH2 ARG 98 21.916 -9.927 4.142 767 2HH2 ARG 98 2HH2 ARG 98 23.404 -9.901 5.037 768 HA PRO 99 HA PRO 99 16.609 -5.337 -1.565 769 1HB PRO 99 2HB PRO 99 15.410 -7.714 -1.955 770 2HB PRO 99 1HB PRO 99 16.495 -7.012 -3.162 771 1HG PRO 99 2HG PRO 99 17.074 -9.109 -1.092 772 2HG PRO 99 1HG PRO 99 17.497 -9.098 -2.815 773 1HD PRO 99 2HD PRO 99 19.257 -8.397 -0.862 774 2HD PRO 99 1HD PRO 99 19.301 -7.694 -2.492 775 H ASP 100 H ASP 100 17.697 -5.821 1.177 776 HA ASP 100 HA ASP 100 15.100 -6.162 2.501 777 1HB ASP 100 2HB ASP 100 16.389 -8.297 2.704 778 2HB ASP 100 1HB ASP 100 17.688 -7.408 3.491 779 H MET 101 H MET 101 17.503 -4.163 1.783 780 HA MET 101 HA MET 101 18.496 -3.138 4.194 781 1HB MET 101 2HB MET 101 18.316 -2.130 1.395 782 2HB MET 101 1HB MET 101 18.644 -0.947 2.651 783 1HG MET 101 2HG MET 101 20.273 -3.411 2.072 784 2HG MET 101 1HG MET 101 20.700 -1.752 1.654 785 1HE MET 101 1HE MET 101 23.272 -2.410 4.500 786 2HE MET 101 2HE MET 101 23.031 -1.783 2.870 787 3HE MET 101 3HE MET 101 22.776 -3.496 3.203 788 H PHE 102 H PHE 102 16.024 -1.579 2.136 789 HA PHE 102 HA PHE 102 15.565 0.402 4.172 790 1HB PHE 102 2HB PHE 102 14.084 0.011 1.563 791 2HB PHE 102 1HB PHE 102 14.116 1.468 2.548 792 HD1 PHE 102 1HD PHE 102 15.569 -0.216 -0.199 793 HD2 PHE 102 2HD PHE 102 16.469 2.550 2.921 794 HE1 PHE 102 1HE PHE 102 17.502 0.597 -1.479 795 HE2 PHE 102 2HE PHE 102 18.397 3.368 1.633 796 HZ PHE 102 HZ PHE 102 18.915 2.393 -0.568 797 H ARG 103 H ARG 103 14.614 -2.504 4.584 798 HA ARG 103 HA ARG 103 11.861 -2.711 4.258 799 1HB ARG 103 2HB ARG 103 11.965 -4.497 6.000 800 2HB ARG 103 1HB ARG 103 13.140 -4.676 4.706 801 1HG ARG 103 2HG ARG 103 14.901 -3.820 6.144 802 2HG ARG 103 1HG ARG 103 13.734 -3.542 7.438 803 1HD ARG 103 2HD ARG 103 14.381 -6.231 6.225 804 2HD ARG 103 1HD ARG 103 15.028 -5.622 7.748 805 HE ARG 103 HE ARG 103 12.539 -5.471 8.386 806 1HH1 ARG 103 1HH1 ARG 103 13.896 -7.944 6.303 807 2HH1 ARG 103 2HH1 ARG 103 12.742 -9.149 6.790 808 1HH2 ARG 103 1HH2 ARG 103 11.019 -7.052 9.008 809 2HH2 ARG 103 2HH2 ARG 103 11.111 -8.645 8.316 810 H ALA 104 H ALA 104 13.583 -1.740 7.264 811 HA ALA 104 HA ALA 104 11.218 -1.381 8.769 812 1HB ALA 104 1HB ALA 104 12.636 -0.229 10.391 813 2HB ALA 104 2HB ALA 104 13.935 -0.132 9.201 814 3HB ALA 104 3HB ALA 104 13.412 -1.703 9.810 815 H GLN 105 H GLN 105 13.216 0.843 6.902 816 HA GLN 105 HA GLN 105 11.815 3.214 7.548 817 1HB GLN 105 2HB GLN 105 13.540 2.500 5.162 818 2HB GLN 105 1HB GLN 105 12.902 4.112 5.447 819 1HG GLN 105 2HG GLN 105 15.210 3.967 6.169 820 2HG GLN 105 1HG GLN 105 14.150 4.248 7.551 821 1HE2 GLN 105 1HE2 GLN 105 16.186 1.909 5.917 822 2HE2 GLN 105 2HE2 GLN 105 16.337 0.823 7.254 823 H GLN 106 H GLN 106 11.368 0.722 5.155 824 HA GLN 106 HA GLN 106 9.469 1.987 3.499 825 1HB GLN 106 2HB GLN 106 10.701 -0.078 2.899 826 2HB GLN 106 1HB GLN 106 9.815 -0.957 4.135 827 1HG GLN 106 2HG GLN 106 7.724 -0.539 2.920 828 2HG GLN 106 1HG GLN 106 8.631 0.315 1.670 829 1HE2 GLN 106 1HE2 GLN 106 6.987 -2.053 1.393 830 2HE2 GLN 106 2HE2 GLN 106 8.020 -3.298 0.782 831 H LEU 107 H LEU 107 9.153 -0.126 6.327 832 HA LEU 107 HA LEU 107 6.300 0.015 6.386 833 1HB LEU 107 2HB LEU 107 8.388 -1.059 8.251 834 2HB LEU 107 1HB LEU 107 6.738 -0.879 8.814 835 HG LEU 107 HG LEU 107 7.150 -3.163 8.064 836 1HD1 LEU 107 1HD1 LEU 107 4.903 -2.256 7.801 837 2HD1 LEU 107 2HD1 LEU 107 5.279 -3.411 6.523 838 3HD1 LEU 107 3HD1 LEU 107 5.315 -1.679 6.185 839 1HD2 LEU 107 1HD2 LEU 107 7.600 -3.680 5.714 840 2HD2 LEU 107 2HD2 LEU 107 8.912 -2.744 6.430 841 3HD2 LEU 107 3HD2 LEU 107 7.749 -1.958 5.361 842 H GLN 108 H GLN 108 8.877 1.960 7.727 843 HA GLN 108 HA GLN 108 7.394 3.397 9.631 844 1HB GLN 108 2HB GLN 108 9.826 3.639 9.473 845 2HB GLN 108 1HB GLN 108 9.688 4.369 7.879 846 1HG GLN 108 2HG GLN 108 10.104 6.054 9.574 847 2HG GLN 108 1HG GLN 108 8.515 6.281 8.845 848 1HE2 GLN 108 1HE2 GLN 108 7.717 7.430 10.587 849 2HE2 GLN 108 2HE2 GLN 108 7.364 6.698 12.111 850 H ILE 109 H ILE 109 7.912 3.994 6.168 851 HA ILE 109 HA ILE 109 6.127 6.186 5.974 852 HB ILE 109 HB ILE 109 7.513 4.400 4.039 853 1HG1 ILE 109 2HG1 ILE 109 8.151 6.566 3.034 854 2HG1 ILE 109 1HG1 ILE 109 7.107 7.402 4.178 855 1HG2 ILE 109 1HG2 ILE 109 6.271 5.294 2.112 856 2HG2 ILE 109 2HG2 ILE 109 5.113 6.039 3.215 857 3HG2 ILE 109 3HG2 ILE 109 5.262 4.282 3.145 858 1HD1 ILE 109 1HD1 ILE 109 8.494 6.627 6.018 859 2HD1 ILE 109 2HD1 ILE 109 9.445 7.518 4.830 860 3HD1 ILE 109 3HD1 ILE 109 9.526 5.756 4.884 861 H PHE 110 H PHE 110 5.713 2.698 5.447 862 HA PHE 110 HA PHE 110 3.146 2.646 4.439 863 1HB PHE 110 2HB PHE 110 4.557 0.637 4.648 864 2HB PHE 110 1HB PHE 110 4.373 0.674 6.395 865 HD1 PHE 110 1HD PHE 110 2.153 0.151 7.419 866 HD2 PHE 110 2HD PHE 110 2.868 -0.273 3.239 867 HE1 PHE 110 1HE PHE 110 0.134 -1.243 7.214 868 HE2 PHE 110 2HE PHE 110 0.851 -1.664 3.034 869 HZ PHE 110 HZ PHE 110 -0.525 -2.145 5.014 870 H ASN 111 H ASN 111 4.115 2.624 7.866 871 HA ASN 111 HA ASN 111 1.394 2.665 8.782 872 1HB ASN 111 2HB ASN 111 4.039 2.957 10.216 873 2HB ASN 111 1HB ASN 111 2.496 3.106 11.050 874 1HD2 ASN 111 1HD2 ASN 111 4.729 0.940 9.534 875 2HD2 ASN 111 2HD2 ASN 111 3.936 -0.525 9.990 876 H LEU 112 H LEU 112 3.723 5.074 7.922 877 HA LEU 112 HA LEU 112 2.665 7.256 9.375 878 1HB LEU 112 2HB LEU 112 4.891 7.118 8.150 879 2HB LEU 112 1HB LEU 112 4.005 7.386 6.665 880 HG LEU 112 HG LEU 112 3.961 9.359 8.959 881 1HD1 LEU 112 1HD1 LEU 112 6.272 9.055 8.259 882 2HD1 LEU 112 2HD1 LEU 112 5.668 10.629 7.745 883 3HD1 LEU 112 3HD1 LEU 112 5.815 9.318 6.575 884 1HD2 LEU 112 1HD2 LEU 112 2.149 9.640 7.356 885 2HD2 LEU 112 2HD2 LEU 112 3.298 9.638 6.019 886 3HD2 LEU 112 3HD2 LEU 112 3.310 10.956 7.193 887 H MET 113 H MET 113 2.065 6.103 6.059 888 HA MET 113 HA MET 113 -0.047 8.036 5.645 889 1HB MET 113 2HB MET 113 -0.271 6.918 3.424 890 2HB MET 113 1HB MET 113 1.348 7.509 3.762 891 1HG MET 113 2HG MET 113 2.059 5.244 4.337 892 2HG MET 113 1HG MET 113 0.432 4.649 4.008 893 1HE MET 113 1HE MET 113 3.258 3.610 2.675 894 2HE MET 113 2HE MET 113 2.709 3.316 1.025 895 3HE MET 113 3HE MET 113 1.699 2.834 2.387 896 H LYS 114 H LYS 114 0.186 4.920 6.946 897 HA LYS 114 HA LYS 114 -2.091 3.595 6.099 898 1HB LYS 114 2HB LYS 114 -0.339 2.520 7.393 899 2HB LYS 114 1HB LYS 114 -0.722 3.506 8.796 900 1HG LYS 114 2HG LYS 114 -2.896 2.419 8.988 901 2HG LYS 114 1HG LYS 114 -2.554 1.457 7.548 902 1HD LYS 114 2HD LYS 114 -0.691 0.374 8.675 903 2HD LYS 114 1HD LYS 114 -0.922 1.395 10.095 904 1HE LYS 114 2HE LYS 114 -2.933 -0.591 9.027 905 2HE LYS 114 1HE LYS 114 -1.853 -0.870 10.393 906 1HZ LYS 114 1HZ LYS 114 -3.974 1.203 10.239 907 2HZ LYS 114 2HZ LYS 114 -2.906 1.001 11.533 908 3HZ LYS 114 3HZ LYS 114 -4.022 -0.212 11.161 909 H PHE 115 H PHE 115 -1.825 6.090 8.607 910 HA PHE 115 HA PHE 115 -4.724 5.787 9.124 911 1HB PHE 115 2HB PHE 115 -3.220 5.168 11.031 912 2HB PHE 115 1HB PHE 115 -2.610 6.817 11.042 913 HD1 PHE 115 1HD PHE 115 -5.832 4.938 11.251 914 HD2 PHE 115 2HD PHE 115 -3.590 8.345 12.484 915 HE1 PHE 115 1HE PHE 115 -7.647 5.575 12.785 916 HE2 PHE 115 2HE PHE 115 -5.403 8.986 14.019 917 HZ PHE 115 HZ PHE 115 -7.433 7.600 14.171 918 H ASP 116 H ASP 116 -3.089 7.550 7.196 919 HA ASP 116 HA ASP 116 -4.198 10.133 8.081 920 1HB ASP 116 2HB ASP 116 -1.402 9.619 7.046 921 2HB ASP 116 1HB ASP 116 -2.134 11.221 7.032 922 H SER 117 H SER 117 -2.274 9.339 5.205 923 HA SER 117 HA SER 117 -4.067 10.688 3.491 924 1HB SER 117 2HB SER 117 -2.695 9.545 1.666 925 2HB SER 117 1HB SER 117 -1.792 10.544 2.806 926 HG SER 117 HG SER 117 -0.924 8.379 2.327 927 H TYR 118 H TYR 118 -3.603 7.268 4.290 928 HA TYR 118 HA TYR 118 -5.521 6.139 2.602 929 1HB TYR 118 2HB TYR 118 -4.108 4.673 3.852 930 2HB TYR 118 1HB TYR 118 -4.608 5.378 5.385 931 HD1 TYR 118 1HD TYR 118 -6.043 4.093 6.672 932 HD2 TYR 118 2HD TYR 118 -6.220 3.698 2.438 933 HE1 TYR 118 1HE TYR 118 -7.757 2.350 6.913 934 HE2 TYR 118 2HE TYR 118 -7.933 1.951 2.669 935 HH TYR 118 HH TYR 118 -8.795 0.412 4.242 936 H ALA 119 H ALA 119 -5.908 7.398 5.909 937 HA ALA 119 HA ALA 119 -8.652 6.878 6.178 938 1HB ALA 119 1HB ALA 119 -8.600 8.491 8.023 939 2HB ALA 119 2HB ALA 119 -7.024 9.068 7.479 940 3HB ALA 119 3HB ALA 119 -7.202 7.418 8.074 941 H ARG 120 H ARG 120 -6.941 9.469 4.613 942 HA ARG 120 HA ARG 120 -9.236 11.188 4.338 943 1HB ARG 120 2HB ARG 120 -6.926 12.063 4.484 944 2HB ARG 120 1HB ARG 120 -6.542 11.281 2.957 945 1HG ARG 120 2HG ARG 120 -8.224 12.696 1.833 946 2HG ARG 120 1HG ARG 120 -8.539 13.507 3.371 947 1HD ARG 120 2HD ARG 120 -6.158 14.185 3.454 948 2HD ARG 120 1HD ARG 120 -5.918 13.451 1.868 949 HE ARG 120 HE ARG 120 -8.036 15.319 1.749 950 1HH1 ARG 120 1HH1 ARG 120 -4.547 15.140 1.988 951 2HH1 ARG 120 2HH1 ARG 120 -4.291 16.719 1.311 952 1HH2 ARG 120 1HH2 ARG 120 -7.701 17.396 0.851 953 2HH2 ARG 120 2HH2 ARG 120 -6.084 18.005 0.687 954 H PHE 121 H PHE 121 -7.509 8.856 2.318 955 HA PHE 121 HA PHE 121 -8.623 9.549 -0.157 956 1HB PHE 121 2HB PHE 121 -6.673 8.122 -0.066 957 2HB PHE 121 1HB PHE 121 -7.562 6.886 0.821 958 HD1 PHE 121 1HD PHE 121 -8.355 5.074 -0.380 959 HD2 PHE 121 2HD PHE 121 -7.791 8.788 -2.394 960 HE1 PHE 121 1HE PHE 121 -9.019 4.023 -2.501 961 HE2 PHE 121 2HE PHE 121 -8.451 7.735 -4.516 962 HZ PHE 121 HZ PHE 121 -9.067 5.353 -4.573 963 H VAL 122 H VAL 122 -9.687 7.157 2.243 964 HA VAL 122 HA VAL 122 -11.797 6.084 0.712 965 HB VAL 122 HB VAL 122 -12.673 5.162 2.803 966 1HG1 VAL 122 1HG1 VAL 122 -9.655 5.044 2.662 967 2HG1 VAL 122 2HG1 VAL 122 -10.780 4.047 1.742 968 3HG1 VAL 122 3HG1 VAL 122 -10.694 3.886 3.495 969 1HG2 VAL 122 1HG2 VAL 122 -12.369 7.094 4.266 970 2HG2 VAL 122 2HG2 VAL 122 -10.618 6.898 4.186 971 3HG2 VAL 122 3HG2 VAL 122 -11.609 5.662 4.963 972 H LYS 123 H LYS 123 -11.501 9.110 2.204 973 HA LYS 123 HA LYS 123 -14.400 9.552 2.387 974 1HB LYS 123 2HB LYS 123 -12.106 11.356 3.217 975 2HB LYS 123 1HB LYS 123 -13.813 11.638 3.538 976 1HG LYS 123 2HG LYS 123 -13.885 9.674 4.979 977 2HG LYS 123 1HG LYS 123 -12.189 9.337 4.622 978 1HD LYS 123 2HD LYS 123 -11.569 11.510 5.623 979 2HD LYS 123 1HD LYS 123 -13.265 11.796 6.018 980 1HE LYS 123 2HE LYS 123 -11.556 9.532 7.062 981 2HE LYS 123 1HE LYS 123 -12.023 10.974 7.962 982 1HZ LYS 123 1HZ LYS 123 -14.365 10.283 7.665 983 2HZ LYS 123 2HZ LYS 123 -13.457 9.185 8.572 984 3HZ LYS 123 3HZ LYS 123 -13.830 8.841 6.961 985 H SER 124 H SER 124 -11.667 10.154 0.422 986 HA SER 124 HA SER 124 -12.681 12.536 -0.861 987 1HB SER 124 2HB SER 124 -10.281 10.791 -1.497 988 2HB SER 124 1HB SER 124 -10.627 12.356 -2.234 989 HG SER 124 HG SER 124 -10.312 11.967 0.560 990 HA PRO 125 HA PRO 125 -14.835 10.800 -4.358 991 1HB PRO 125 2HB PRO 125 -13.044 12.412 -6.121 992 2HB PRO 125 1HB PRO 125 -14.811 12.376 -6.041 993 1HG PRO 125 2HG PRO 125 -13.467 14.432 -5.028 994 2HG PRO 125 1HG PRO 125 -14.885 13.779 -4.184 995 1HD PRO 125 2HD PRO 125 -11.973 13.377 -3.588 996 2HD PRO 125 1HD PRO 125 -13.326 13.639 -2.467 997 H LEU 126 H LEU 126 -14.129 10.150 -6.823 998 HA LEU 126 HA LEU 126 -13.197 8.575 -8.125 999 1HB LEU 126 2HB LEU 126 -10.823 8.876 -6.286 1000 2HB LEU 126 1HB LEU 126 -10.831 7.837 -7.699 1001 HG LEU 126 HG LEU 126 -11.166 10.843 -7.706 1002 1HD1 LEU 126 1HD1 LEU 126 -8.999 10.861 -8.841 1003 2HD1 LEU 126 2HD1 LEU 126 -8.892 9.107 -8.682 1004 3HD1 LEU 126 3HD1 LEU 126 -8.872 10.127 -7.243 1005 1HD2 LEU 126 1HD2 LEU 126 -12.492 9.834 -9.475 1006 2HD2 LEU 126 2HD2 LEU 126 -11.103 8.888 -10.008 1007 3HD2 LEU 126 3HD2 LEU 126 -11.083 10.646 -10.156 1008 H TYR 127 H TYR 127 -12.519 7.829 -4.677 1009 HA TYR 127 HA TYR 127 -12.736 5.046 -4.911 1010 1HB TYR 127 2HB TYR 127 -11.968 6.399 -2.875 1011 2HB TYR 127 1HB TYR 127 -13.668 6.653 -2.512 1012 HD1 TYR 127 1HD TYR 127 -14.560 3.786 -3.370 1013 HD2 TYR 127 2HD TYR 127 -11.429 5.219 -0.863 1014 HE1 TYR 127 1HE TYR 127 -14.584 1.671 -2.144 1015 HE2 TYR 127 2HE TYR 127 -11.453 3.094 0.373 1016 HH TYR 127 HH TYR 127 -13.047 0.335 -0.762 1017 H ARG 128 H ARG 128 -15.203 7.346 -3.754 1018 HA ARG 128 HA ARG 128 -17.362 5.625 -3.729 1019 1HB ARG 128 2HB ARG 128 -18.788 7.638 -3.844 1020 2HB ARG 128 1HB ARG 128 -17.459 7.834 -2.708 1021 1HG ARG 128 2HG ARG 128 -16.232 9.161 -4.311 1022 2HG ARG 128 1HG ARG 128 -17.484 8.900 -5.524 1023 1HD ARG 128 2HD ARG 128 -19.094 10.057 -3.999 1024 2HD ARG 128 1HD ARG 128 -17.730 10.442 -2.943 1025 HE ARG 128 HE ARG 128 -17.119 11.267 -5.557 1026 1HH1 ARG 128 1HH1 ARG 128 -19.251 12.127 -2.919 1027 2HH1 ARG 128 2HH1 ARG 128 -19.380 13.788 -3.400 1028 1HH2 ARG 128 1HH2 ARG 128 -17.282 13.453 -6.184 1029 2HH2 ARG 128 2HH2 ARG 128 -18.252 14.546 -5.255 1030 H GLU 129 H GLU 129 -16.138 7.588 -6.466 1031 HA GLU 129 HA GLU 129 -18.270 7.088 -8.219 1032 1HB GLU 129 2HB GLU 129 -15.378 7.775 -8.722 1033 2HB GLU 129 1HB GLU 129 -16.484 7.479 -10.054 1034 1HG GLU 129 2HG GLU 129 -16.952 9.656 -9.967 1035 2HG GLU 129 1HG GLU 129 -17.876 9.291 -8.515 1036 H CYS 130 H CYS 130 -15.616 5.043 -7.283 1037 HA CYS 130 HA CYS 130 -16.209 3.145 -9.441 1038 1HB CYS 130 2HB CYS 130 -14.012 3.100 -7.353 1039 2HB CYS 130 1HB CYS 130 -14.181 1.968 -8.692 1040 HG CYS 130 HG CYS 130 -13.215 5.226 -8.772 1041 H LEU 131 H LEU 131 -17.108 3.756 -6.264 1042 HA LEU 131 HA LEU 131 -17.470 0.937 -5.552 1043 1HB LEU 131 2HB LEU 131 -16.415 2.394 -3.900 1044 2HB LEU 131 1HB LEU 131 -17.807 3.460 -3.920 1045 HG LEU 131 HG LEU 131 -19.201 1.659 -2.965 1046 1HD1 LEU 131 1HD1 LEU 131 -18.159 -0.380 -2.107 1047 2HD1 LEU 131 2HD1 LEU 131 -16.622 0.094 -2.831 1048 3HD1 LEU 131 3HD1 LEU 131 -18.008 -0.268 -3.860 1049 1HD2 LEU 131 1HD2 LEU 131 -16.691 2.247 -1.387 1050 2HD2 LEU 131 2HD2 LEU 131 -18.219 1.672 -0.718 1051 3HD2 LEU 131 3HD2 LEU 131 -18.131 3.263 -1.473 1052 H LEU 132 H LEU 132 -19.359 3.913 -5.978 1053 HA LEU 132 HA LEU 132 -21.760 2.461 -6.537 1054 1HB LEU 132 2HB LEU 132 -23.073 3.088 -4.652 1055 2HB LEU 132 1HB LEU 132 -21.617 2.337 -4.034 1056 HG LEU 132 HG LEU 132 -22.246 5.300 -4.045 1057 1HD1 LEU 132 1HD1 LEU 132 -21.958 3.330 -1.776 1058 2HD1 LEU 132 2HD1 LEU 132 -23.467 4.030 -2.362 1059 3HD1 LEU 132 3HD1 LEU 132 -22.251 5.063 -1.615 1060 1HD2 LEU 132 1HD2 LEU 132 -19.851 4.953 -4.413 1061 2HD2 LEU 132 2HD2 LEU 132 -19.780 3.897 -3.001 1062 3HD2 LEU 132 3HD2 LEU 132 -20.163 5.608 -2.806 1063 H ALA 133 H ALA 133 -23.664 4.076 -6.672 1064 HA ALA 133 HA ALA 133 -22.836 6.813 -7.300 1065 1HB ALA 133 1HB ALA 133 -23.839 6.760 -9.535 1066 2HB ALA 133 2HB ALA 133 -24.189 5.041 -9.347 1067 3HB ALA 133 3HB ALA 133 -22.517 5.596 -9.411 1068 H GLU 134 H GLU 134 -25.396 4.422 -7.146 1069 HA GLU 134 HA GLU 134 -27.528 6.310 -6.798 1070 1HB GLU 134 2HB GLU 134 -28.940 4.370 -6.414 1071 2HB GLU 134 1HB GLU 134 -27.897 4.070 -7.795 1072 1HG GLU 134 2HG GLU 134 -27.431 3.011 -5.005 1073 2HG GLU 134 1HG GLU 134 -28.148 2.103 -6.333 1074 H ALA 135 H ALA 135 -25.068 5.346 -4.841 1075 HA ALA 135 HA ALA 135 -24.555 5.673 -2.665 1076 1HB ALA 135 1HB ALA 135 -25.983 7.015 -1.218 1077 2HB ALA 135 2HB ALA 135 -27.298 6.907 -2.389 1078 3HB ALA 135 3HB ALA 135 -25.818 7.771 -2.804 1079 H GLU 136 H GLU 136 -28.044 5.066 -2.282 1080 HA GLU 136 HA GLU 136 -27.429 2.868 -0.477 1081 1HB GLU 136 2HB GLU 136 -30.080 4.094 -1.282 1082 2HB GLU 136 1HB GLU 136 -29.863 2.874 -0.031 1083 1HG GLU 136 2HG GLU 136 -28.540 4.412 1.291 1084 2HG GLU 136 1HG GLU 136 -28.623 5.623 0.015 Start of MODEL 2 1 1H SER 1 1HT SER 1 -14.886 -2.134 -18.001 2 2H SER 1 2HT SER 1 -15.121 -2.697 -19.577 3 3H SER 1 3HT SER 1 -15.903 -1.294 -19.059 4 HA SER 1 HA SER 1 -12.970 -1.595 -19.271 5 1HB SER 1 2HB SER 1 -14.849 -0.123 -21.143 6 2HB SER 1 1HB SER 1 -13.102 -0.298 -21.323 7 HG SER 1 HG SER 1 -13.372 -2.486 -21.690 8 H MET 2 H MET 2 -11.855 0.006 -18.318 9 HA MET 2 HA MET 2 -11.359 1.816 -17.057 10 1HB MET 2 2HB MET 2 -13.560 3.096 -18.695 11 2HB MET 2 1HB MET 2 -12.455 3.980 -17.652 12 1HG MET 2 2HG MET 2 -10.570 3.278 -19.018 13 2HG MET 2 1HG MET 2 -11.650 2.331 -20.043 14 1HE MET 2 1HE MET 2 -13.852 5.165 -21.669 15 2HE MET 2 2HE MET 2 -14.202 4.321 -20.161 16 3HE MET 2 3HE MET 2 -13.579 3.428 -21.549 17 H THR 3 H THR 3 -14.698 2.910 -17.207 18 HA THR 3 HA THR 3 -14.903 2.739 -14.331 19 HB THR 3 HB THR 3 -17.226 3.699 -14.758 20 HG1 THR 3 1HG THR 3 -17.408 2.980 -16.948 21 1HG2 THR 3 1HG2 THR 3 -14.854 5.226 -15.855 22 2HG2 THR 3 2HG2 THR 3 -15.340 5.138 -14.161 23 3HG2 THR 3 3HG2 THR 3 -16.382 5.938 -15.338 24 H GLU 4 H GLU 4 -14.836 0.528 -13.968 25 HA GLU 4 HA GLU 4 -17.145 -1.027 -14.947 26 1HB GLU 4 2HB GLU 4 -14.858 -1.628 -15.883 27 2HB GLU 4 1HB GLU 4 -14.418 -2.145 -14.262 28 1HG GLU 4 2HG GLU 4 -16.063 -3.884 -14.298 29 2HG GLU 4 1HG GLU 4 -16.746 -3.276 -15.808 30 H GLU 5 H GLU 5 -17.987 -2.598 -13.500 31 HA GLU 5 HA GLU 5 -18.173 -1.600 -10.842 32 1HB GLU 5 2HB GLU 5 -19.269 -4.118 -12.110 33 2HB GLU 5 1HB GLU 5 -19.665 -3.577 -10.480 34 1HG GLU 5 2HG GLU 5 -20.764 -1.639 -11.287 35 2HG GLU 5 1HG GLU 5 -20.125 -1.868 -12.914 36 H GLN 6 H GLN 6 -16.017 -1.713 -10.131 37 HA GLN 6 HA GLN 6 -15.033 -4.380 -9.395 38 1HB GLN 6 2HB GLN 6 -13.706 -1.661 -9.130 39 2HB GLN 6 1HB GLN 6 -12.951 -3.208 -8.770 40 1HG GLN 6 2HG GLN 6 -13.916 -2.317 -11.485 41 2HG GLN 6 1HG GLN 6 -12.243 -2.308 -10.934 42 1HE2 GLN 6 1HE2 GLN 6 -12.441 -4.827 -9.519 43 2HE2 GLN 6 2HE2 GLN 6 -12.517 -6.066 -10.721 44 HA PRO 7 HA PRO 7 -16.538 -3.773 -5.228 45 1HB PRO 7 2HB PRO 7 -14.312 -5.481 -4.306 46 2HB PRO 7 1HB PRO 7 -16.052 -5.767 -4.215 47 1HG PRO 7 2HG PRO 7 -14.481 -7.159 -5.895 48 2HG PRO 7 1HG PRO 7 -16.143 -6.712 -6.325 49 1HD PRO 7 2HD PRO 7 -13.560 -5.426 -7.161 50 2HD PRO 7 1HD PRO 7 -14.999 -5.800 -8.138 51 H VAL 8 H VAL 8 -15.600 -1.529 -5.590 52 HA VAL 8 HA VAL 8 -13.010 -0.791 -4.862 53 HB VAL 8 HB VAL 8 -13.921 1.504 -4.584 54 1HG1 VAL 8 1HG1 VAL 8 -14.948 0.010 -7.008 55 2HG1 VAL 8 2HG1 VAL 8 -13.331 0.689 -6.810 56 3HG1 VAL 8 3HG1 VAL 8 -14.732 1.757 -6.894 57 1HG2 VAL 8 1HG2 VAL 8 -16.062 0.930 -3.540 58 2HG2 VAL 8 2HG2 VAL 8 -16.602 0.175 -5.040 59 3HG2 VAL 8 3HG2 VAL 8 -16.310 1.913 -4.983 60 H ALA 9 H ALA 9 -15.721 -1.592 -2.873 61 HA ALA 9 HA ALA 9 -15.032 -0.251 -0.501 62 1HB ALA 9 1HB ALA 9 -17.228 -1.274 -0.882 63 2HB ALA 9 2HB ALA 9 -16.502 -1.847 0.620 64 3HB ALA 9 3HB ALA 9 -16.496 -2.876 -0.814 65 H SER 10 H SER 10 -13.526 -2.873 -2.080 66 HA SER 10 HA SER 10 -12.518 -4.328 0.109 67 1HB SER 10 2HB SER 10 -10.854 -5.221 -1.500 68 2HB SER 10 1HB SER 10 -12.487 -5.248 -2.163 69 HG SER 10 HG SER 10 -11.909 -3.865 -3.650 70 H TRP 11 H TRP 11 -11.563 -1.311 -1.325 71 HA TRP 11 HA TRP 11 -8.896 -1.162 -0.472 72 1HB TRP 11 2HB TRP 11 -10.875 1.119 -0.716 73 2HB TRP 11 1HB TRP 11 -9.123 1.269 -0.684 74 HD1 TRP 11 HD TRP 11 -8.716 -1.252 -2.829 75 HE1 TRP 11 1HE TRP 11 -9.121 -0.712 -5.319 76 HE3 TRP 11 3HE TRP 11 -11.541 2.969 -2.286 77 HZ2 TRP 11 2HZ TRP 11 -10.472 1.245 -6.837 78 HZ3 TRP 11 3HZ TRP 11 -12.347 4.124 -4.299 79 HH2 TRP 11 HH TRP 11 -11.822 3.280 -6.536 80 H ALA 12 H ALA 12 -11.919 -0.371 1.171 81 HA ALA 12 HA ALA 12 -10.696 0.802 3.464 82 1HB ALA 12 1HB ALA 12 -12.934 0.735 4.442 83 2HB ALA 12 2HB ALA 12 -13.485 -0.310 3.131 84 3HB ALA 12 3HB ALA 12 -12.985 1.347 2.788 85 H LEU 13 H LEU 13 -11.148 -2.417 2.443 86 HA LEU 13 HA LEU 13 -11.287 -3.601 5.063 87 1HB LEU 13 2HB LEU 13 -10.731 -4.847 2.364 88 2HB LEU 13 1HB LEU 13 -10.987 -5.744 3.850 89 HG LEU 13 HG LEU 13 -13.030 -3.990 2.467 90 1HD1 LEU 13 1HD1 LEU 13 -14.202 -6.084 2.010 91 2HD1 LEU 13 2HD1 LEU 13 -12.887 -6.994 2.755 92 3HD1 LEU 13 3HD1 LEU 13 -12.598 -6.079 1.275 93 1HD2 LEU 13 1HD2 LEU 13 -13.320 -3.928 4.886 94 2HD2 LEU 13 2HD2 LEU 13 -13.286 -5.691 4.952 95 3HD2 LEU 13 3HD2 LEU 13 -14.611 -4.864 4.131 96 H SER 14 H SER 14 -8.791 -2.423 3.035 97 HA SER 14 HA SER 14 -6.775 -2.860 4.957 98 1HB SER 14 2HB SER 14 -6.822 -5.176 4.238 99 2HB SER 14 1HB SER 14 -6.692 -4.700 2.548 100 HG SER 14 HG SER 14 -4.749 -4.911 4.486 101 H PHE 15 H PHE 15 -5.146 -1.449 4.624 102 HA PHE 15 HA PHE 15 -5.159 0.315 2.394 103 1HB PHE 15 2HB PHE 15 -4.216 1.040 4.532 104 2HB PHE 15 1HB PHE 15 -2.975 -0.206 4.436 105 HD1 PHE 15 1HD PHE 15 -0.957 0.969 4.310 106 HD2 PHE 15 2HD PHE 15 -4.191 2.132 1.791 107 HE1 PHE 15 1HE PHE 15 0.528 2.528 3.125 108 HE2 PHE 15 2HE PHE 15 -2.706 3.693 0.605 109 HZ PHE 15 HZ PHE 15 -0.346 3.892 1.270 110 H GLU 16 H GLU 16 -3.325 -2.565 3.206 111 HA GLU 16 HA GLU 16 -1.488 -2.699 1.168 112 1HB GLU 16 2HB GLU 16 -1.690 -4.328 3.046 113 2HB GLU 16 1HB GLU 16 -3.125 -4.998 2.285 114 1HG GLU 16 2HG GLU 16 -1.354 -6.459 1.767 115 2HG GLU 16 1HG GLU 16 -1.687 -5.552 0.294 116 H ARG 17 H ARG 17 -4.894 -3.690 1.182 117 HA ARG 17 HA ARG 17 -5.086 -4.694 -1.422 118 1HB ARG 17 2HB ARG 17 -6.876 -5.080 0.133 119 2HB ARG 17 1HB ARG 17 -7.138 -3.356 0.355 120 1HG ARG 17 2HG ARG 17 -8.888 -4.324 -1.014 121 2HG ARG 17 1HG ARG 17 -7.937 -3.171 -1.948 122 1HD ARG 17 2HD ARG 17 -6.686 -5.035 -2.954 123 2HD ARG 17 1HD ARG 17 -7.659 -6.179 -2.026 124 HE ARG 17 HE ARG 17 -9.387 -4.534 -3.504 125 1HH1 ARG 17 1HH1 ARG 17 -7.004 -7.052 -4.027 126 2HH1 ARG 17 2HH1 ARG 17 -7.736 -7.615 -5.498 127 1HH2 ARG 17 1HH2 ARG 17 -10.340 -5.268 -5.454 128 2HH2 ARG 17 2HH2 ARG 17 -9.623 -6.601 -6.309 129 H LEU 18 H LEU 18 -5.892 -1.429 -0.231 130 HA LEU 18 HA LEU 18 -6.484 -0.230 -2.681 131 1HB LEU 18 2HB LEU 18 -6.965 0.873 -0.579 132 2HB LEU 18 1HB LEU 18 -5.259 0.936 -0.175 133 HG LEU 18 HG LEU 18 -4.990 2.416 -2.259 134 1HD1 LEU 18 1HD1 LEU 18 -7.135 1.951 -3.296 135 2HD1 LEU 18 2HD1 LEU 18 -6.971 3.670 -2.942 136 3HD1 LEU 18 3HD1 LEU 18 -7.976 2.650 -1.911 137 1HD2 LEU 18 1HD2 LEU 18 -5.666 4.436 -1.019 138 2HD2 LEU 18 2HD2 LEU 18 -4.759 3.295 -0.029 139 3HD2 LEU 18 3HD2 LEU 18 -6.511 3.415 0.147 140 H LEU 19 H LEU 19 -3.426 -0.832 -1.113 141 HA LEU 19 HA LEU 19 -1.941 0.958 -2.808 142 1HB LEU 19 2HB LEU 19 -1.498 0.551 -0.364 143 2HB LEU 19 1HB LEU 19 -0.917 -1.047 -0.792 144 HG LEU 19 HG LEU 19 0.907 -0.104 -2.054 145 1HD1 LEU 19 1HD1 LEU 19 -0.292 2.583 -1.352 146 2HD1 LEU 19 2HD1 LEU 19 -0.161 1.873 -2.963 147 3HD1 LEU 19 3HD1 LEU 19 1.295 2.347 -2.089 148 1HD2 LEU 19 1HD2 LEU 19 2.152 0.983 -0.247 149 2HD2 LEU 19 2HD2 LEU 19 1.257 -0.422 0.331 150 3HD2 LEU 19 3HD2 LEU 19 0.650 1.203 0.652 151 H GLN 20 H GLN 20 -2.631 -2.459 -2.669 152 HA GLN 20 HA GLN 20 -0.652 -3.164 -4.660 153 1HB GLN 20 2HB GLN 20 -2.950 -4.728 -3.446 154 2HB GLN 20 1HB GLN 20 -1.858 -5.388 -4.654 155 1HG GLN 20 2HG GLN 20 -1.059 -4.394 -1.922 156 2HG GLN 20 1HG GLN 20 -1.254 -6.081 -2.391 157 1HE2 GLN 20 1HE2 GLN 20 1.090 -4.720 -1.359 158 2HE2 GLN 20 2HE2 GLN 20 2.328 -4.911 -2.550 159 H ASP 21 H ASP 21 -4.081 -2.436 -4.519 160 HA ASP 21 HA ASP 21 -4.662 -3.243 -7.209 161 1HB ASP 21 2HB ASP 21 -6.403 -3.303 -5.490 162 2HB ASP 21 1HB ASP 21 -6.252 -1.567 -5.244 163 HA PRO 22 HA PRO 22 -2.758 0.448 -8.895 164 1HB PRO 22 2HB PRO 22 -3.448 -0.024 -11.512 165 2HB PRO 22 1HB PRO 22 -2.083 -0.800 -10.700 166 1HG PRO 22 2HG PRO 22 -4.849 -1.856 -11.174 167 2HG PRO 22 1HG PRO 22 -3.289 -2.683 -11.361 168 1HD PRO 22 2HD PRO 22 -4.833 -3.071 -9.194 169 2HD PRO 22 1HD PRO 22 -3.061 -3.036 -9.075 170 H LEU 23 H LEU 23 -6.088 -0.507 -9.372 171 HA LEU 23 HA LEU 23 -6.969 1.903 -10.619 172 1HB LEU 23 2HB LEU 23 -8.096 -0.374 -10.676 173 2HB LEU 23 1HB LEU 23 -8.638 -0.070 -9.040 174 HG LEU 23 HG LEU 23 -9.350 1.801 -11.300 175 1HD1 LEU 23 1HD1 LEU 23 -10.079 -0.437 -11.959 176 2HD1 LEU 23 2HD1 LEU 23 -11.454 0.588 -11.556 177 3HD1 LEU 23 3HD1 LEU 23 -10.901 -0.634 -10.411 178 1HD2 LEU 23 1HD2 LEU 23 -9.716 2.638 -9.035 179 2HD2 LEU 23 2HD2 LEU 23 -10.666 1.205 -8.646 180 3HD2 LEU 23 3HD2 LEU 23 -11.251 2.351 -9.854 181 H GLY 24 H GLY 24 -7.222 0.623 -7.312 182 1HA GLY 24 2HA GLY 24 -8.318 2.914 -6.108 183 2HA GLY 24 1HA GLY 24 -7.392 1.667 -5.283 184 H LEU 25 H LEU 25 -4.938 1.838 -6.323 185 HA LEU 25 HA LEU 25 -3.774 4.028 -5.056 186 1HB LEU 25 2HB LEU 25 -2.806 1.726 -5.999 187 2HB LEU 25 1HB LEU 25 -2.339 2.746 -7.344 188 HG LEU 25 HG LEU 25 -1.505 3.164 -4.460 189 1HD1 LEU 25 1HD1 LEU 25 0.075 2.126 -6.809 190 2HD1 LEU 25 2HD1 LEU 25 -0.486 1.179 -5.430 191 3HD1 LEU 25 3HD1 LEU 25 0.708 2.456 -5.195 192 1HD2 LEU 25 1HD2 LEU 25 -1.599 5.281 -5.662 193 2HD2 LEU 25 2HD2 LEU 25 -0.626 4.603 -6.967 194 3HD2 LEU 25 3HD2 LEU 25 0.075 4.814 -5.361 195 H ALA 26 H ALA 26 -4.920 3.655 -8.366 196 HA ALA 26 HA ALA 26 -3.685 5.877 -9.539 197 1HB ALA 26 1HB ALA 26 -6.427 4.766 -10.155 198 2HB ALA 26 2HB ALA 26 -4.906 4.171 -10.820 199 3HB ALA 26 3HB ALA 26 -5.460 5.800 -11.208 200 H TYR 27 H TYR 27 -6.911 5.657 -8.014 201 HA TYR 27 HA TYR 27 -7.338 8.486 -8.142 202 1HB TYR 27 2HB TYR 27 -8.734 6.333 -6.536 203 2HB TYR 27 1HB TYR 27 -9.267 8.011 -6.610 204 HD1 TYR 27 1HD TYR 27 -9.569 4.802 -8.111 205 HD2 TYR 27 2HD TYR 27 -9.717 8.968 -8.995 206 HE1 TYR 27 1HE TYR 27 -10.839 4.322 -10.162 207 HE2 TYR 27 2HE TYR 27 -10.987 8.494 -11.044 208 HH TYR 27 HH TYR 27 -11.342 6.623 -12.603 209 H PHE 28 H PHE 28 -5.914 6.316 -5.835 210 HA PHE 28 HA PHE 28 -5.853 7.994 -3.577 211 1HB PHE 28 2HB PHE 28 -5.372 5.579 -3.486 212 2HB PHE 28 1HB PHE 28 -3.905 5.830 -4.423 213 HD1 PHE 28 1HD PHE 28 -5.536 6.751 -1.207 214 HD2 PHE 28 2HD PHE 28 -1.880 6.255 -3.340 215 HE1 PHE 28 1HE PHE 28 -4.279 7.066 0.880 216 HE2 PHE 28 2HE PHE 28 -0.621 6.574 -1.251 217 HZ PHE 28 HZ PHE 28 -1.818 6.978 0.862 218 H THR 29 H THR 29 -3.537 7.533 -6.236 219 HA THR 29 HA THR 29 -1.699 9.473 -5.205 220 HB THR 29 HB THR 29 -0.943 7.562 -6.625 221 HG1 THR 29 1HG THR 29 -0.374 10.210 -7.504 222 1HG2 THR 29 1HG2 THR 29 -2.750 7.558 -8.286 223 2HG2 THR 29 2HG2 THR 29 -1.175 7.714 -9.064 224 3HG2 THR 29 3HG2 THR 29 -2.212 9.129 -8.883 225 H GLU 30 H GLU 30 -4.541 9.570 -7.143 226 HA GLU 30 HA GLU 30 -4.199 12.002 -8.493 227 1HB GLU 30 2HB GLU 30 -6.111 10.515 -8.891 228 2HB GLU 30 1HB GLU 30 -6.704 10.812 -7.266 229 1HG GLU 30 2HG GLU 30 -7.985 12.063 -8.896 230 2HG GLU 30 1HG GLU 30 -7.108 13.152 -7.825 231 H PHE 31 H PHE 31 -5.559 11.352 -5.255 232 HA PHE 31 HA PHE 31 -5.627 14.122 -4.506 233 1HB PHE 31 2HB PHE 31 -5.789 11.591 -2.850 234 2HB PHE 31 1HB PHE 31 -5.979 13.206 -2.181 235 HD1 PHE 31 1HD PHE 31 -7.620 10.466 -3.793 236 HD2 PHE 31 2HD PHE 31 -7.862 14.662 -3.086 237 HE1 PHE 31 1HE PHE 31 -10.019 10.418 -4.332 238 HE2 PHE 31 2HE PHE 31 -10.261 14.616 -3.622 239 HZ PHE 31 HZ PHE 31 -11.342 12.492 -4.246 240 H LEU 32 H LEU 32 -3.462 11.417 -3.829 241 HA LEU 32 HA LEU 32 -1.681 12.621 -2.072 242 1HB LEU 32 2HB LEU 32 -1.864 10.184 -2.774 243 2HB LEU 32 1HB LEU 32 -0.935 10.607 -4.193 244 HG LEU 32 HG LEU 32 0.934 11.319 -2.691 245 1HD1 LEU 32 1HD1 LEU 32 -0.391 11.772 -0.679 246 2HD1 LEU 32 2HD1 LEU 32 0.911 10.628 -0.363 247 3HD1 LEU 32 3HD1 LEU 32 -0.748 10.050 -0.528 248 1HD2 LEU 32 1HD2 LEU 32 1.643 9.042 -2.135 249 2HD2 LEU 32 2HD2 LEU 32 0.925 9.118 -3.744 250 3HD2 LEU 32 3HD2 LEU 32 -0.003 8.463 -2.394 251 H LYS 33 H LYS 33 -2.012 12.962 -5.501 252 HA LYS 33 HA LYS 33 0.485 14.162 -6.105 253 1HB LYS 33 2HB LYS 33 -1.093 13.234 -7.801 254 2HB LYS 33 1HB LYS 33 -2.205 14.546 -7.452 255 1HG LYS 33 2HG LYS 33 -1.115 15.190 -9.419 256 2HG LYS 33 1HG LYS 33 -0.328 16.124 -8.147 257 1HD LYS 33 2HD LYS 33 1.335 15.238 -9.677 258 2HD LYS 33 1HD LYS 33 1.507 14.474 -8.096 259 1HE LYS 33 2HE LYS 33 1.713 12.854 -9.938 260 2HE LYS 33 1HE LYS 33 0.339 12.495 -8.893 261 1HZ LYS 33 1HZ LYS 33 -1.132 13.489 -10.518 262 2HZ LYS 33 2HZ LYS 33 -0.206 12.274 -11.247 263 3HZ LYS 33 3HZ LYS 33 0.180 13.898 -11.508 264 H LYS 34 H LYS 34 -2.693 15.458 -5.231 265 HA LYS 34 HA LYS 34 -1.937 18.183 -5.664 266 1HB LYS 34 2HB LYS 34 -4.373 17.056 -4.265 267 2HB LYS 34 1HB LYS 34 -4.175 18.718 -4.813 268 1HG LYS 34 2HG LYS 34 -3.982 17.891 -7.140 269 2HG LYS 34 1HG LYS 34 -4.291 16.256 -6.557 270 1HD LYS 34 2HD LYS 34 -6.169 18.614 -6.327 271 2HD LYS 34 1HD LYS 34 -6.321 17.272 -7.459 272 1HE LYS 34 2HE LYS 34 -6.536 15.722 -5.535 273 2HE LYS 34 1HE LYS 34 -6.484 17.110 -4.447 274 1HZ LYS 34 1HZ LYS 34 -8.750 16.492 -4.819 275 2HZ LYS 34 2HZ LYS 34 -8.553 16.538 -6.497 276 3HZ LYS 34 3HZ LYS 34 -8.476 17.968 -5.595 277 H GLU 35 H GLU 35 -2.060 16.065 -2.867 278 HA GLU 35 HA GLU 35 -1.601 18.236 -1.001 279 1HB GLU 35 2HB GLU 35 -1.448 16.482 0.703 280 2HB GLU 35 1HB GLU 35 -2.883 16.268 -0.288 281 1HG GLU 35 2HG GLU 35 -1.783 14.495 -1.537 282 2HG GLU 35 1HG GLU 35 -0.307 14.735 -0.605 283 H PHE 36 H PHE 36 0.251 16.617 -3.199 284 HA PHE 36 HA PHE 36 2.438 16.386 -3.647 285 1HB PHE 36 2HB PHE 36 2.461 18.828 -3.320 286 2HB PHE 36 1HB PHE 36 2.792 18.599 -1.606 287 HD1 PHE 36 1HD PHE 36 4.242 16.976 -4.650 288 HD2 PHE 36 2HD PHE 36 4.941 19.378 -1.196 289 HE1 PHE 36 1HE PHE 36 6.659 16.957 -5.126 290 HE2 PHE 36 2HE PHE 36 7.353 19.360 -1.671 291 HZ PHE 36 HZ PHE 36 8.215 18.151 -3.635 292 H SER 37 H SER 37 2.060 14.296 -2.579 293 HA SER 37 HA SER 37 4.385 13.779 -0.949 294 1HB SER 37 2HB SER 37 2.931 12.348 0.647 295 2HB SER 37 1HB SER 37 2.913 14.095 0.880 296 HG SER 37 HG SER 37 0.808 12.997 0.842 297 H ALA 38 H ALA 38 3.278 13.257 -3.636 298 HA ALA 38 HA ALA 38 2.386 10.592 -3.881 299 1HB ALA 38 1HB ALA 38 2.717 10.886 -6.268 300 2HB ALA 38 2HB ALA 38 3.681 12.334 -5.976 301 3HB ALA 38 3HB ALA 38 1.965 12.322 -5.571 302 H GLU 39 H GLU 39 5.484 11.781 -3.191 303 HA GLU 39 HA GLU 39 6.958 9.780 -4.648 304 1HB GLU 39 2HB GLU 39 8.934 10.639 -3.625 305 2HB GLU 39 1HB GLU 39 7.934 12.002 -4.081 306 1HG GLU 39 2HG GLU 39 8.246 10.879 -1.308 307 2HG GLU 39 1HG GLU 39 9.003 12.343 -1.927 308 H ASN 40 H ASN 40 5.466 10.025 -1.550 309 HA ASN 40 HA ASN 40 6.721 8.091 -0.036 310 1HB ASN 40 2HB ASN 40 3.808 8.846 -0.255 311 2HB ASN 40 1HB ASN 40 4.317 7.545 0.813 312 1HD2 ASN 40 1HD2 ASN 40 4.290 10.957 0.278 313 2HD2 ASN 40 2HD2 ASN 40 4.910 11.412 1.824 314 H VAL 41 H VAL 41 3.917 7.487 -2.165 315 HA VAL 41 HA VAL 41 4.057 4.678 -1.901 316 HB VAL 41 HB VAL 41 2.506 4.546 -3.810 317 1HG1 VAL 41 1HG1 VAL 41 0.659 5.810 -2.806 318 2HG1 VAL 41 2HG1 VAL 41 1.812 6.718 -1.828 319 3HG1 VAL 41 3HG1 VAL 41 1.622 4.982 -1.582 320 1HG2 VAL 41 1HG2 VAL 41 3.427 6.329 -5.206 321 2HG2 VAL 41 2HG2 VAL 41 2.909 7.538 -4.028 322 3HG2 VAL 41 3HG2 VAL 41 1.707 6.595 -4.911 323 H THR 42 H THR 42 5.548 6.916 -4.152 324 HA THR 42 HA THR 42 6.403 5.015 -6.059 325 HB THR 42 HB THR 42 7.702 7.669 -5.370 326 HG1 THR 42 1HG THR 42 5.727 8.273 -6.009 327 1HG2 THR 42 1HG2 THR 42 8.494 7.608 -7.705 328 2HG2 THR 42 2HG2 THR 42 7.795 6.001 -7.898 329 3HG2 THR 42 3HG2 THR 42 9.130 6.253 -6.773 330 H PHE 43 H PHE 43 7.844 6.243 -3.074 331 HA PHE 43 HA PHE 43 10.339 4.934 -3.256 332 1HB PHE 43 2HB PHE 43 9.943 6.716 -1.630 333 2HB PHE 43 1HB PHE 43 8.704 5.757 -0.834 334 HD1 PHE 43 1HD PHE 43 12.317 6.179 -1.347 335 HD2 PHE 43 2HD PHE 43 9.290 3.981 0.694 336 HE1 PHE 43 1HE PHE 43 14.013 5.267 0.186 337 HE2 PHE 43 2HE PHE 43 10.983 3.065 2.225 338 HZ PHE 43 HZ PHE 43 13.347 3.707 1.973 339 H TRP 44 H TRP 44 7.248 4.008 -1.824 340 HA TRP 44 HA TRP 44 8.043 1.495 -0.821 341 1HB TRP 44 2HB TRP 44 5.987 2.756 -0.149 342 2HB TRP 44 1HB TRP 44 5.280 2.370 -1.713 343 HD1 TRP 44 HD TRP 44 6.133 0.785 1.669 344 HE1 TRP 44 1HE TRP 44 4.887 -1.463 1.866 345 HE3 TRP 44 3HE TRP 44 4.333 0.453 -3.106 346 HZ2 TRP 44 2HZ TRP 44 3.350 -3.156 0.189 347 HZ3 TRP 44 3HZ TRP 44 2.988 -1.507 -3.730 348 HH2 TRP 44 HH TRP 44 2.505 -3.272 -2.118 349 H LYS 45 H LYS 45 6.664 2.511 -3.919 350 HA LYS 45 HA LYS 45 6.469 -0.174 -4.928 351 1HB LYS 45 2HB LYS 45 6.136 2.493 -6.315 352 2HB LYS 45 1HB LYS 45 5.838 0.933 -7.071 353 1HG LYS 45 2HG LYS 45 4.144 0.499 -5.247 354 2HG LYS 45 1HG LYS 45 4.334 2.191 -4.784 355 1HD LYS 45 2HD LYS 45 2.406 1.933 -6.244 356 2HD LYS 45 1HD LYS 45 3.661 2.870 -7.059 357 1HE LYS 45 2HE LYS 45 2.603 1.179 -8.531 358 2HE LYS 45 1HE LYS 45 4.339 0.938 -8.339 359 1HZ LYS 45 1HZ LYS 45 3.895 -0.799 -6.728 360 2HZ LYS 45 2HZ LYS 45 3.108 -1.142 -8.184 361 3HZ LYS 45 3HZ LYS 45 2.229 -0.551 -6.871 362 H ALA 46 H ALA 46 9.001 2.022 -4.623 363 HA ALA 46 HA ALA 46 10.532 0.936 -6.853 364 1HB ALA 46 1HB ALA 46 12.324 2.414 -6.075 365 2HB ALA 46 2HB ALA 46 11.376 2.831 -4.647 366 3HB ALA 46 3HB ALA 46 10.810 3.301 -6.250 367 H CYS 47 H CYS 47 10.345 0.691 -3.340 368 HA CYS 47 HA CYS 47 12.637 -1.029 -3.165 369 1HB CYS 47 2HB CYS 47 11.987 -1.265 -0.782 370 2HB CYS 47 1HB CYS 47 12.136 0.410 -1.295 371 HG CYS 47 HG CYS 47 9.680 1.147 -0.887 372 H GLU 48 H GLU 48 9.232 -1.503 -3.731 373 HA GLU 48 HA GLU 48 9.198 -4.282 -3.087 374 1HB GLU 48 2HB GLU 48 7.110 -4.426 -4.199 375 2HB GLU 48 1HB GLU 48 7.137 -2.828 -3.470 376 1HG GLU 48 2HG GLU 48 7.589 -1.800 -5.588 377 2HG GLU 48 1HG GLU 48 7.811 -3.367 -6.359 378 H ARG 49 H ARG 49 10.241 -2.396 -5.804 379 HA ARG 49 HA ARG 49 10.605 -4.576 -7.628 380 1HB ARG 49 2HB ARG 49 11.841 -1.803 -7.627 381 2HB ARG 49 1HB ARG 49 11.841 -2.928 -8.983 382 1HG ARG 49 2HG ARG 49 9.413 -2.779 -9.126 383 2HG ARG 49 1HG ARG 49 9.385 -1.704 -7.730 384 1HD ARG 49 2HD ARG 49 10.838 -0.121 -9.036 385 2HD ARG 49 1HD ARG 49 10.591 -1.158 -10.442 386 HE ARG 49 HE ARG 49 8.295 0.030 -9.032 387 1HH1 ARG 49 1HH1 ARG 49 10.205 -0.352 -11.946 388 2HH1 ARG 49 2HH1 ARG 49 9.046 0.443 -12.965 389 1HH2 ARG 49 1HH2 ARG 49 6.783 1.116 -10.368 390 2HH2 ARG 49 2HH2 ARG 49 7.100 1.277 -12.068 391 H PHE 50 H PHE 50 12.516 -2.929 -5.223 392 HA PHE 50 HA PHE 50 15.078 -3.873 -5.847 393 1HB PHE 50 2HB PHE 50 14.502 -2.031 -4.240 394 2HB PHE 50 1HB PHE 50 13.961 -3.251 -3.097 395 HD1 PHE 50 1HD PHE 50 16.887 -1.810 -4.801 396 HD2 PHE 50 2HD PHE 50 15.544 -4.524 -1.802 397 HE1 PHE 50 1HE PHE 50 19.175 -1.958 -3.915 398 HE2 PHE 50 2HE PHE 50 17.835 -4.672 -0.914 399 HZ PHE 50 HZ PHE 50 19.652 -3.388 -1.969 400 H GLN 51 H GLN 51 12.359 -5.431 -4.383 401 HA GLN 51 HA GLN 51 13.653 -7.446 -2.892 402 1HB GLN 51 2HB GLN 51 10.929 -7.611 -4.213 403 2HB GLN 51 1HB GLN 51 11.495 -8.563 -2.846 404 1HG GLN 51 2HG GLN 51 11.071 -5.579 -2.850 405 2HG GLN 51 1HG GLN 51 9.979 -6.775 -2.155 406 1HE2 GLN 51 1HE2 GLN 51 11.570 -4.514 -1.010 407 2HE2 GLN 51 2HE2 GLN 51 12.451 -5.214 0.308 408 H GLN 52 H GLN 52 13.326 -7.020 -6.254 409 HA GLN 52 HA GLN 52 13.362 -9.762 -7.052 410 1HB GLN 52 2HB GLN 52 14.040 -7.214 -8.530 411 2HB GLN 52 1HB GLN 52 14.053 -8.800 -9.283 412 1HG GLN 52 2HG GLN 52 11.635 -7.577 -7.964 413 2HG GLN 52 1HG GLN 52 11.990 -7.469 -9.687 414 1HE2 GLN 52 1HE2 GLN 52 10.142 -8.563 -10.284 415 2HE2 GLN 52 2HE2 GLN 52 9.929 -10.261 -10.025 416 H ILE 53 H ILE 53 15.712 -7.709 -5.754 417 HA ILE 53 HA ILE 53 17.933 -9.321 -6.822 418 HB ILE 53 HB ILE 53 18.305 -6.916 -5.043 419 1HG1 ILE 53 2HG1 ILE 53 17.996 -6.779 -8.060 420 2HG1 ILE 53 1HG1 ILE 53 16.764 -6.261 -6.914 421 1HG2 ILE 53 1HG2 ILE 53 19.966 -8.094 -7.281 422 2HG2 ILE 53 2HG2 ILE 53 20.239 -8.343 -5.557 423 3HG2 ILE 53 3HG2 ILE 53 20.425 -6.734 -6.254 424 1HD1 ILE 53 1HD1 ILE 53 18.024 -4.375 -7.773 425 2HD1 ILE 53 2HD1 ILE 53 19.524 -5.090 -7.184 426 3HD1 ILE 53 3HD1 ILE 53 18.287 -4.567 -6.039 427 HA PRO 54 HA PRO 54 17.138 -11.439 -2.887 428 1HB PRO 54 2HB PRO 54 18.862 -13.527 -3.323 429 2HB PRO 54 1HB PRO 54 17.226 -13.446 -3.984 430 1HG PRO 54 2HG PRO 54 19.835 -12.782 -5.303 431 2HG PRO 54 1HG PRO 54 18.447 -13.673 -5.956 432 1HD PRO 54 2HD PRO 54 18.899 -11.086 -6.569 433 2HD PRO 54 1HD PRO 54 17.253 -11.734 -6.403 434 H ALA 55 H ALA 55 20.448 -11.073 -4.145 435 HA ALA 55 HA ALA 55 21.720 -9.688 -2.191 436 1HB ALA 55 1HB ALA 55 20.980 -11.307 -0.500 437 2HB ALA 55 2HB ALA 55 22.733 -11.359 -0.679 438 3HB ALA 55 3HB ALA 55 21.734 -12.621 -1.403 439 H SER 56 H SER 56 21.688 -12.364 -4.357 440 HA SER 56 HA SER 56 24.293 -13.177 -4.576 441 1HB SER 56 2HB SER 56 23.607 -13.700 -7.009 442 2HB SER 56 1HB SER 56 22.633 -14.412 -5.721 443 HG SER 56 HG SER 56 21.436 -13.363 -7.471 444 H ASP 57 H ASP 57 22.747 -10.767 -6.717 445 HA ASP 57 HA ASP 57 25.378 -9.868 -7.590 446 1HB ASP 57 2HB ASP 57 23.299 -10.137 -9.119 447 2HB ASP 57 1HB ASP 57 22.759 -8.612 -8.422 448 H THR 58 H THR 58 26.138 -9.025 -5.631 449 HA THR 58 HA THR 58 24.804 -7.185 -3.998 450 HB THR 58 HB THR 58 27.801 -7.410 -4.388 451 HG1 THR 58 1HG THR 58 25.933 -9.117 -3.248 452 1HG2 THR 58 1HG2 THR 58 26.165 -6.513 -2.000 453 2HG2 THR 58 2HG2 THR 58 27.108 -5.460 -3.056 454 3HG2 THR 58 3HG2 THR 58 27.921 -6.661 -2.052 455 H GLN 59 H GLN 59 26.595 -6.767 -6.951 456 HA GLN 59 HA GLN 59 27.112 -3.989 -6.733 457 1HB GLN 59 2HB GLN 59 26.803 -5.677 -9.229 458 2HB GLN 59 1HB GLN 59 27.545 -4.083 -9.148 459 1HG GLN 59 2HG GLN 59 29.320 -4.964 -7.728 460 2HG GLN 59 1HG GLN 59 28.568 -6.558 -7.759 461 1HE2 GLN 59 1HE2 GLN 59 31.220 -5.741 -8.634 462 2HE2 GLN 59 2HE2 GLN 59 31.333 -6.193 -10.299 463 H GLN 60 H GLN 60 24.467 -5.868 -8.166 464 HA GLN 60 HA GLN 60 23.091 -3.649 -9.254 465 1HB GLN 60 2HB GLN 60 22.715 -6.068 -9.890 466 2HB GLN 60 1HB GLN 60 21.829 -6.255 -8.379 467 1HG GLN 60 2HG GLN 60 20.335 -4.385 -9.132 468 2HG GLN 60 1HG GLN 60 21.139 -4.463 -10.697 469 1HE2 GLN 60 1HE2 GLN 60 18.370 -4.880 -10.028 470 2HE2 GLN 60 2HE2 GLN 60 17.968 -6.475 -10.568 471 H LEU 61 H LEU 61 22.958 -5.283 -6.127 472 HA LEU 61 HA LEU 61 20.777 -4.062 -4.948 473 1HB LEU 61 2HB LEU 61 23.473 -4.758 -3.768 474 2HB LEU 61 1HB LEU 61 22.141 -4.170 -2.794 475 HG LEU 61 HG LEU 61 22.055 -6.716 -4.431 476 1HD1 LEU 61 1HD1 LEU 61 22.483 -6.350 -1.461 477 2HD1 LEU 61 2HD1 LEU 61 23.700 -6.881 -2.620 478 3HD1 LEU 61 3HD1 LEU 61 22.289 -7.889 -2.302 479 1HD2 LEU 61 1HD2 LEU 61 20.049 -7.199 -3.108 480 2HD2 LEU 61 2HD2 LEU 61 19.856 -5.719 -4.048 481 3HD2 LEU 61 3HD2 LEU 61 20.188 -5.628 -2.318 482 H ALA 62 H ALA 62 24.068 -2.836 -5.349 483 HA ALA 62 HA ALA 62 23.660 -0.362 -4.024 484 1HB ALA 62 1HB ALA 62 25.783 0.306 -5.047 485 2HB ALA 62 2HB ALA 62 25.723 -1.107 -6.102 486 3HB ALA 62 3HB ALA 62 25.885 -1.316 -4.359 487 H GLN 63 H GLN 63 23.182 -1.442 -7.334 488 HA GLN 63 HA GLN 63 23.083 1.093 -8.575 489 1HB GLN 63 2HB GLN 63 21.694 -1.460 -9.426 490 2HB GLN 63 1HB GLN 63 21.968 -0.052 -10.443 491 1HG GLN 63 2HG GLN 63 24.036 -1.923 -9.310 492 2HG GLN 63 1HG GLN 63 23.583 -1.721 -11.000 493 1HE2 GLN 63 1HE2 GLN 63 25.364 -0.419 -8.334 494 2HE2 GLN 63 2HE2 GLN 63 26.249 0.766 -9.232 495 H GLU 64 H GLU 64 20.445 -1.041 -7.473 496 HA GLU 64 HA GLU 64 18.421 0.897 -7.994 497 1HB GLU 64 2HB GLU 64 18.527 -1.792 -6.735 498 2HB GLU 64 1HB GLU 64 17.187 -0.762 -6.254 499 1HG GLU 64 2HG GLU 64 16.545 -2.215 -8.081 500 2HG GLU 64 1HG GLU 64 16.508 -0.529 -8.587 501 H ALA 65 H ALA 65 20.329 0.045 -5.154 502 HA ALA 65 HA ALA 65 18.898 1.486 -3.224 503 1HB ALA 65 1HB ALA 65 20.956 1.473 -1.900 504 2HB ALA 65 2HB ALA 65 21.876 0.981 -3.325 505 3HB ALA 65 3HB ALA 65 20.663 -0.101 -2.642 506 H ARG 66 H ARG 66 21.712 2.520 -5.166 507 HA ARG 66 HA ARG 66 21.762 5.159 -4.149 508 1HB ARG 66 2HB ARG 66 23.379 5.636 -5.869 509 2HB ARG 66 1HB ARG 66 23.687 4.016 -5.268 510 1HG ARG 66 2HG ARG 66 23.864 3.573 -7.482 511 2HG ARG 66 1HG ARG 66 22.119 3.374 -7.333 512 1HD ARG 66 2HD ARG 66 22.027 5.906 -7.902 513 2HD ARG 66 1HD ARG 66 23.674 5.671 -8.483 514 HE ARG 66 HE ARG 66 21.221 4.652 -9.664 515 1HH1 ARG 66 1HH1 ARG 66 24.731 4.510 -9.649 516 2HH1 ARG 66 2HH1 ARG 66 24.824 3.897 -11.271 517 1HH2 ARG 66 1HH2 ARG 66 21.354 3.864 -11.775 518 2HH2 ARG 66 2HH2 ARG 66 22.905 3.519 -12.477 519 H ASN 67 H ASN 67 20.032 3.639 -6.769 520 HA ASN 67 HA ASN 67 19.148 5.914 -8.163 521 1HB ASN 67 2HB ASN 67 18.925 3.567 -8.971 522 2HB ASN 67 1HB ASN 67 17.695 3.279 -7.748 523 1HD2 ASN 67 1HD2 ASN 67 17.565 3.092 -10.657 524 2HD2 ASN 67 2HD2 ASN 67 16.277 4.138 -11.146 525 H ILE 68 H ILE 68 17.504 4.005 -5.661 526 HA ILE 68 HA ILE 68 15.323 5.727 -5.242 527 HB ILE 68 HB ILE 68 16.651 3.788 -3.323 528 1HG1 ILE 68 2HG1 ILE 68 14.247 3.432 -5.143 529 2HG1 ILE 68 1HG1 ILE 68 15.844 2.746 -5.415 530 1HG2 ILE 68 1HG2 ILE 68 15.263 5.397 -2.115 531 2HG2 ILE 68 2HG2 ILE 68 14.543 3.787 -2.083 532 3HG2 ILE 68 3HG2 ILE 68 13.896 5.022 -3.166 533 1HD1 ILE 68 1HD1 ILE 68 14.326 1.082 -4.538 534 2HD1 ILE 68 2HD1 ILE 68 13.997 2.090 -3.129 535 3HD1 ILE 68 3HD1 ILE 68 15.608 1.414 -3.373 536 H TYR 69 H TYR 69 18.507 5.540 -3.761 537 HA TYR 69 HA TYR 69 18.135 7.290 -1.628 538 1HB TYR 69 2HB TYR 69 20.068 5.838 -1.751 539 2HB TYR 69 1HB TYR 69 20.627 6.637 -3.216 540 HD1 TYR 69 1HD TYR 69 20.338 6.909 0.439 541 HD2 TYR 69 2HD TYR 69 21.736 8.799 -3.114 542 HE1 TYR 69 1HE TYR 69 21.672 8.464 1.802 543 HE2 TYR 69 2HE TYR 69 23.072 10.351 -1.776 544 HH TYR 69 HH TYR 69 22.978 11.290 0.598 545 H GLN 70 H GLN 70 19.375 7.961 -4.885 546 HA GLN 70 HA GLN 70 20.044 10.646 -4.384 547 1HB GLN 70 2HB GLN 70 19.689 9.020 -6.873 548 2HB GLN 70 1HB GLN 70 19.970 10.753 -6.988 549 1HG GLN 70 2HG GLN 70 22.082 10.577 -5.924 550 2HG GLN 70 1HG GLN 70 21.787 8.906 -5.445 551 1HE2 GLN 70 1HE2 GLN 70 23.692 8.238 -6.471 552 2HE2 GLN 70 2HE2 GLN 70 23.822 8.132 -8.192 553 H GLU 71 H GLU 71 16.954 9.278 -4.875 554 HA GLU 71 HA GLU 71 15.887 11.924 -5.618 555 1HB GLU 71 2HB GLU 71 14.650 9.179 -5.860 556 2HB GLU 71 1HB GLU 71 13.759 10.672 -6.125 557 1HG GLU 71 2HG GLU 71 15.493 11.236 -7.888 558 2HG GLU 71 1HG GLU 71 16.046 9.568 -7.732 559 H PHE 72 H PHE 72 15.468 9.272 -3.294 560 HA PHE 72 HA PHE 72 13.416 10.879 -1.920 561 1HB PHE 72 2HB PHE 72 13.949 7.911 -1.661 562 2HB PHE 72 1HB PHE 72 12.578 8.798 -1.002 563 HD1 PHE 72 1HD PHE 72 13.886 7.030 -3.835 564 HD2 PHE 72 2HD PHE 72 10.932 9.852 -2.624 565 HE1 PHE 72 1HE PHE 72 12.625 6.589 -5.897 566 HE2 PHE 72 2HE PHE 72 9.668 9.411 -4.689 567 HZ PHE 72 HZ PHE 72 10.514 7.780 -6.327 568 H LEU 73 H LEU 73 16.661 9.959 -1.532 569 HA LEU 73 HA LEU 73 16.410 10.095 1.409 570 1HB LEU 73 2HB LEU 73 18.194 8.198 -0.117 571 2HB LEU 73 1HB LEU 73 18.020 8.289 1.624 572 HG LEU 73 HG LEU 73 15.691 7.619 -0.180 573 1HD1 LEU 73 1HD1 LEU 73 16.089 5.255 0.356 574 2HD1 LEU 73 2HD1 LEU 73 17.602 5.691 1.150 575 3HD1 LEU 73 3HD1 LEU 73 17.411 5.944 -0.584 576 1HD2 LEU 73 1HD2 LEU 73 15.140 8.379 2.073 577 2HD2 LEU 73 2HD2 LEU 73 16.193 7.141 2.759 578 3HD2 LEU 73 3HD2 LEU 73 14.749 6.673 1.862 579 H SER 74 H SER 74 17.757 11.580 -1.197 580 HA SER 74 HA SER 74 20.361 12.126 -0.023 581 1HB SER 74 2HB SER 74 19.059 13.175 -2.551 582 2HB SER 74 1HB SER 74 20.716 13.523 -2.051 583 HG SER 74 HG SER 74 19.871 10.856 -2.219 584 H SER 75 H SER 75 21.103 14.230 0.513 585 HA SER 75 HA SER 75 19.381 15.819 2.050 586 1HB SER 75 2HB SER 75 22.030 16.627 0.807 587 2HB SER 75 1HB SER 75 21.267 17.355 2.221 588 HG SER 75 HG SER 75 21.604 15.467 3.358 589 H GLN 76 H GLN 76 18.005 17.410 1.518 590 HA GLN 76 HA GLN 76 16.739 18.830 0.274 591 1HB GLN 76 2HB GLN 76 19.463 19.490 -0.873 592 2HB GLN 76 1HB GLN 76 18.016 20.453 -1.146 593 1HG GLN 76 2HG GLN 76 17.842 20.882 1.253 594 2HG GLN 76 1HG GLN 76 19.290 19.916 1.532 595 1HE2 GLN 76 1HE2 GLN 76 20.653 20.902 -0.850 596 2HE2 GLN 76 2HE2 GLN 76 21.139 22.525 -0.493 597 H ALA 77 H ALA 77 16.962 16.147 -0.718 598 HA ALA 77 HA ALA 77 17.273 16.058 -3.524 599 1HB ALA 77 1HB ALA 77 16.116 13.905 -3.394 600 2HB ALA 77 2HB ALA 77 15.628 14.261 -1.735 601 3HB ALA 77 3HB ALA 77 17.335 14.053 -2.130 602 H LEU 78 H LEU 78 15.490 15.568 -5.065 603 HA LEU 78 HA LEU 78 13.693 17.733 -5.167 604 1HB LEU 78 2HB LEU 78 13.787 15.173 -6.776 605 2HB LEU 78 1HB LEU 78 12.685 16.492 -7.120 606 HG LEU 78 HG LEU 78 14.689 17.978 -7.469 607 1HD1 LEU 78 1HD1 LEU 78 16.348 16.705 -6.228 608 2HD1 LEU 78 2HD1 LEU 78 16.851 16.922 -7.903 609 3HD1 LEU 78 3HD1 LEU 78 16.203 15.369 -7.373 610 1HD2 LEU 78 1HD2 LEU 78 15.176 17.106 -9.704 611 2HD2 LEU 78 2HD2 LEU 78 13.454 17.030 -9.340 612 3HD2 LEU 78 3HD2 LEU 78 14.435 15.567 -9.268 613 H SER 79 H SER 79 13.301 14.390 -4.161 614 HA SER 79 HA SER 79 10.756 15.072 -2.916 615 1HB SER 79 2HB SER 79 9.695 13.001 -3.880 616 2HB SER 79 1HB SER 79 10.029 14.252 -5.077 617 HG SER 79 HG SER 79 11.671 11.990 -4.540 618 HA PRO 80 HA PRO 80 13.602 12.343 -0.478 619 1HB PRO 80 2HB PRO 80 13.974 13.915 1.654 620 2HB PRO 80 1HB PRO 80 14.804 14.239 0.126 621 1HG PRO 80 2HG PRO 80 12.374 15.560 1.279 622 2HG PRO 80 1HG PRO 80 13.757 16.292 0.444 623 1HD PRO 80 2HD PRO 80 11.323 15.715 -0.746 624 2HD PRO 80 1HD PRO 80 12.854 15.910 -1.621 625 H VAL 81 H VAL 81 10.953 11.722 -0.654 626 HA VAL 81 HA VAL 81 8.928 11.401 0.459 627 HB VAL 81 HB VAL 81 9.425 9.448 2.192 628 1HG1 VAL 81 1HG1 VAL 81 9.498 7.881 0.322 629 2HG1 VAL 81 2HG1 VAL 81 9.943 9.191 -0.774 630 3HG1 VAL 81 3HG1 VAL 81 8.359 9.189 0.002 631 1HG2 VAL 81 1HG2 VAL 81 12.007 9.580 0.619 632 2HG2 VAL 81 2HG2 VAL 81 11.522 8.288 1.719 633 3HG2 VAL 81 3HG2 VAL 81 11.850 9.903 2.345 634 H ASN 82 H ASN 82 10.668 10.665 3.387 635 HA ASN 82 HA ASN 82 10.566 13.076 4.730 636 1HB ASN 82 2HB ASN 82 8.072 12.809 4.501 637 2HB ASN 82 1HB ASN 82 8.185 11.333 5.452 638 1HD2 ASN 82 1HD2 ASN 82 10.007 14.319 5.960 639 2HD2 ASN 82 2HD2 ASN 82 9.310 14.689 7.497 640 H ILE 83 H ILE 83 9.283 10.034 5.977 641 HA ILE 83 HA ILE 83 9.981 8.672 7.654 642 HB ILE 83 HB ILE 83 11.964 7.339 7.067 643 1HG1 ILE 83 2HG1 ILE 83 12.343 9.385 4.857 644 2HG1 ILE 83 1HG1 ILE 83 13.448 9.073 6.192 645 1HG2 ILE 83 1HG2 ILE 83 9.804 6.854 6.054 646 2HG2 ILE 83 2HG2 ILE 83 11.116 6.499 4.932 647 3HG2 ILE 83 3HG2 ILE 83 10.157 7.966 4.732 648 1HD1 ILE 83 1HD1 ILE 83 12.745 7.136 3.996 649 2HD1 ILE 83 2HD1 ILE 83 13.868 6.837 5.324 650 3HD1 ILE 83 3HD1 ILE 83 14.232 8.076 4.124 651 H ASP 84 H ASP 84 12.615 7.978 8.478 652 HA ASP 84 HA ASP 84 12.784 9.589 10.752 653 1HB ASP 84 2HB ASP 84 14.897 7.735 9.620 654 2HB ASP 84 1HB ASP 84 14.806 8.307 11.283 655 H ARG 85 H ARG 85 14.866 9.518 7.872 656 HA ARG 85 HA ARG 85 16.490 10.882 7.087 657 1HB ARG 85 2HB ARG 85 14.905 12.855 8.711 658 2HB ARG 85 1HB ARG 85 16.389 13.347 7.910 659 1HG ARG 85 2HG ARG 85 13.931 12.221 6.571 660 2HG ARG 85 1HG ARG 85 14.459 13.905 6.555 661 1HD ARG 85 2HD ARG 85 15.818 11.526 5.292 662 2HD ARG 85 1HD ARG 85 15.125 12.930 4.480 663 HE ARG 85 HE ARG 85 17.066 13.954 6.129 664 1HH1 ARG 85 1HH1 ARG 85 17.010 11.630 3.506 665 2HH1 ARG 85 2HH1 ARG 85 18.656 11.922 3.044 666 1HH2 ARG 85 1HH2 ARG 85 19.224 14.333 5.524 667 2HH2 ARG 85 2HH2 ARG 85 19.916 13.451 4.196 668 H GLN 86 H GLN 86 16.229 12.256 10.370 669 HA GLN 86 HA GLN 86 19.024 12.426 10.721 670 1HB GLN 86 2HB GLN 86 16.890 12.346 12.872 671 2HB GLN 86 1HB GLN 86 18.523 12.976 13.048 672 1HG GLN 86 2HG GLN 86 16.361 14.109 11.276 673 2HG GLN 86 1HG GLN 86 16.900 14.770 12.817 674 1HE2 GLN 86 1HE2 GLN 86 16.871 15.956 10.138 675 2HE2 GLN 86 2HE2 GLN 86 18.500 16.443 9.820 676 H ALA 87 H ALA 87 16.634 10.070 11.808 677 HA ALA 87 HA ALA 87 18.671 8.421 13.085 678 1HB ALA 87 1HB ALA 87 16.524 8.786 14.217 679 2HB ALA 87 2HB ALA 87 16.793 7.078 13.872 680 3HB ALA 87 3HB ALA 87 15.684 8.016 12.870 681 H TRP 88 H TRP 88 18.358 8.822 10.064 682 HA TRP 88 HA TRP 88 17.460 6.282 9.068 683 1HB TRP 88 2HB TRP 88 17.358 8.539 7.843 684 2HB TRP 88 1HB TRP 88 19.076 8.313 7.519 685 HD1 TRP 88 HD TRP 88 15.777 6.342 6.959 686 HE1 TRP 88 1HE TRP 88 15.965 5.092 4.720 687 HE3 TRP 88 3HE TRP 88 20.545 7.673 5.674 688 HZ2 TRP 88 2HZ TRP 88 17.867 4.718 2.687 689 HZ3 TRP 88 3HZ TRP 88 21.473 6.820 3.557 690 HH2 TRP 88 HH TRP 88 20.157 5.372 2.098 691 H LEU 89 H LEU 89 18.995 5.089 7.479 692 HA LEU 89 HA LEU 89 20.909 3.819 9.093 693 1HB LEU 89 2HB LEU 89 20.457 3.677 6.106 694 2HB LEU 89 1HB LEU 89 21.597 2.655 6.960 695 HG LEU 89 HG LEU 89 19.659 1.780 8.323 696 1HD1 LEU 89 1HD1 LEU 89 17.401 2.057 7.411 697 2HD1 LEU 89 2HD1 LEU 89 18.018 3.222 6.239 698 3HD1 LEU 89 3HD1 LEU 89 18.076 3.591 7.962 699 1HD2 LEU 89 1HD2 LEU 89 20.623 0.506 6.480 700 2HD2 LEU 89 2HD2 LEU 89 19.567 1.334 5.335 701 3HD2 LEU 89 3HD2 LEU 89 18.877 0.268 6.560 702 H GLY 90 H GLY 90 21.534 5.534 6.030 703 1HA GLY 90 2HA GLY 90 23.126 7.474 6.271 704 2HA GLY 90 1HA GLY 90 24.165 6.331 7.110 705 H GLU 91 H GLU 91 25.377 7.482 5.154 706 HA GLU 91 HA GLU 91 25.058 6.646 2.526 707 1HB GLU 91 2HB GLU 91 27.410 7.266 2.210 708 2HB GLU 91 1HB GLU 91 26.570 8.457 3.196 709 1HG GLU 91 2HG GLU 91 27.559 7.550 5.208 710 2HG GLU 91 1HG GLU 91 28.323 6.258 4.285 711 H GLU 92 H GLU 92 25.987 4.742 5.196 712 HA GLU 92 HA GLU 92 27.926 3.066 4.061 713 1HB GLU 92 2HB GLU 92 27.432 1.515 5.876 714 2HB GLU 92 1HB GLU 92 27.515 3.162 6.484 715 1HG GLU 92 2HG GLU 92 25.166 3.295 6.735 716 2HG GLU 92 1HG GLU 92 24.909 1.826 5.795 717 H VAL 93 H VAL 93 24.445 3.129 3.848 718 HA VAL 93 HA VAL 93 24.166 0.422 3.034 719 HB VAL 93 HB VAL 93 22.321 1.704 4.078 720 1HG1 VAL 93 1HG1 VAL 93 22.104 3.101 1.412 721 2HG1 VAL 93 2HG1 VAL 93 22.680 3.833 2.908 722 3HG1 VAL 93 3HG1 VAL 93 21.010 3.281 2.784 723 1HG2 VAL 93 1HG2 VAL 93 20.520 0.809 2.680 724 2HG2 VAL 93 2HG2 VAL 93 21.840 -0.350 2.838 725 3HG2 VAL 93 3HG2 VAL 93 21.657 0.580 1.352 726 H LEU 94 H LEU 94 25.116 3.277 1.410 727 HA LEU 94 HA LEU 94 24.599 2.200 -1.250 728 1HB LEU 94 2HB LEU 94 26.063 4.712 -0.391 729 2HB LEU 94 1HB LEU 94 25.758 4.251 -2.052 730 HG LEU 94 HG LEU 94 24.156 5.892 -1.576 731 1HD1 LEU 94 1HD1 LEU 94 22.771 3.244 -1.173 732 2HD1 LEU 94 2HD1 LEU 94 23.207 3.968 -2.721 733 3HD1 LEU 94 3HD1 LEU 94 22.009 4.749 -1.691 734 1HD2 LEU 94 1HD2 LEU 94 22.696 5.881 0.391 735 2HD2 LEU 94 2HD2 LEU 94 24.400 5.995 0.831 736 3HD2 LEU 94 3HD2 LEU 94 23.543 4.462 1.007 737 H ALA 95 H ALA 95 27.294 2.858 0.925 738 HA ALA 95 HA ALA 95 29.355 2.025 -0.846 739 1HB ALA 95 1HB ALA 95 30.797 2.092 1.120 740 2HB ALA 95 2HB ALA 95 29.382 2.199 2.169 741 3HB ALA 95 3HB ALA 95 29.759 3.517 1.060 742 H GLU 96 H GLU 96 27.358 0.391 1.509 743 HA GLU 96 HA GLU 96 28.281 -2.185 0.496 744 1HB GLU 96 2HB GLU 96 28.282 -3.125 2.826 745 2HB GLU 96 1HB GLU 96 29.581 -1.987 2.504 746 1HG GLU 96 2HG GLU 96 28.374 -0.239 3.694 747 2HG GLU 96 1HG GLU 96 27.028 -1.340 3.978 748 HA PRO 97 HA PRO 97 23.705 -1.978 0.538 749 1HB PRO 97 2HB PRO 97 23.354 -3.446 -1.708 750 2HB PRO 97 1HB PRO 97 23.733 -1.718 -1.760 751 1HG PRO 97 2HG PRO 97 25.562 -4.068 -2.118 752 2HG PRO 97 1HG PRO 97 25.486 -2.559 -3.048 753 1HD PRO 97 2HD PRO 97 27.328 -3.002 -1.092 754 2HD PRO 97 1HD PRO 97 26.701 -1.387 -1.477 755 H ARG 98 H ARG 98 22.112 -3.918 0.346 756 HA ARG 98 HA ARG 98 23.049 -6.500 1.059 757 1HB ARG 98 2HB ARG 98 22.623 -6.449 3.456 758 2HB ARG 98 1HB ARG 98 23.799 -5.203 3.056 759 1HG ARG 98 2HG ARG 98 21.768 -3.600 2.980 760 2HG ARG 98 1HG ARG 98 20.916 -4.887 3.830 761 1HD ARG 98 2HD ARG 98 21.734 -3.401 5.490 762 2HD ARG 98 1HD ARG 98 22.756 -4.837 5.553 763 HE ARG 98 HE ARG 98 24.130 -3.207 3.894 764 1HH1 ARG 98 1HH1 ARG 98 22.771 -2.754 7.084 765 2HH1 ARG 98 2HH1 ARG 98 23.926 -1.549 7.551 766 1HH2 ARG 98 1HH2 ARG 98 25.657 -1.610 4.498 767 2HH2 ARG 98 2HH2 ARG 98 25.559 -0.888 6.078 768 HA PRO 99 HA PRO 99 18.723 -7.357 0.376 769 1HB PRO 99 2HB PRO 99 18.486 -9.743 1.648 770 2HB PRO 99 1HB PRO 99 19.348 -9.568 0.118 771 1HG PRO 99 2HG PRO 99 20.458 -9.667 2.906 772 2HG PRO 99 1HG PRO 99 21.014 -10.523 1.454 773 1HD PRO 99 2HD PRO 99 22.222 -8.275 2.334 774 2HD PRO 99 1HD PRO 99 22.079 -8.647 0.603 775 H ASP 100 H ASP 100 20.118 -6.975 3.473 776 HA ASP 100 HA ASP 100 17.829 -7.120 5.131 777 1HB ASP 100 2HB ASP 100 20.020 -7.113 6.129 778 2HB ASP 100 1HB ASP 100 20.431 -5.588 5.359 779 H MET 101 H MET 101 19.260 -4.614 3.175 780 HA MET 101 HA MET 101 18.530 -2.669 2.303 781 1HB MET 101 2HB MET 101 16.435 -2.814 1.154 782 2HB MET 101 1HB MET 101 17.187 -4.399 1.130 783 1HG MET 101 2HG MET 101 15.701 -5.119 2.951 784 2HG MET 101 1HG MET 101 14.934 -3.532 2.935 785 1HE MET 101 1HE MET 101 15.440 -6.929 1.061 786 2HE MET 101 2HE MET 101 16.175 -5.794 -0.071 787 3HE MET 101 3HE MET 101 14.672 -6.615 -0.495 788 H PHE 102 H PHE 102 16.140 -1.348 2.269 789 HA PHE 102 HA PHE 102 16.290 0.121 4.762 790 1HB PHE 102 2HB PHE 102 14.440 0.686 2.433 791 2HB PHE 102 1HB PHE 102 15.060 1.822 3.623 792 HD1 PHE 102 1HD PHE 102 17.556 2.358 3.572 793 HD2 PHE 102 2HD PHE 102 15.537 0.365 0.391 794 HE1 PHE 102 1HE PHE 102 19.368 2.973 2.030 795 HE2 PHE 102 2HE PHE 102 17.357 0.976 -1.147 796 HZ PHE 102 HZ PHE 102 19.274 2.280 -0.330 797 H ARG 103 H ARG 103 15.111 -2.516 5.021 798 HA ARG 103 HA ARG 103 12.442 -2.827 4.563 799 1HB ARG 103 2HB ARG 103 12.389 -4.572 6.184 800 2HB ARG 103 1HB ARG 103 13.996 -4.576 5.477 801 1HG ARG 103 2HG ARG 103 13.313 -3.314 8.132 802 2HG ARG 103 1HG ARG 103 13.944 -4.947 7.938 803 1HD ARG 103 2HD ARG 103 16.001 -4.108 7.017 804 2HD ARG 103 1HD ARG 103 15.360 -2.464 6.966 805 HE ARG 103 HE ARG 103 15.252 -3.403 9.614 806 1HH1 ARG 103 1HH1 ARG 103 17.617 -2.469 7.208 807 2HH1 ARG 103 2HH1 ARG 103 18.793 -1.965 8.377 808 1HH2 ARG 103 1HH2 ARG 103 16.787 -2.718 11.157 809 2HH2 ARG 103 2HH2 ARG 103 18.314 -2.085 10.626 810 H ALA 104 H ALA 104 13.859 -1.164 7.341 811 HA ALA 104 HA ALA 104 11.469 -0.852 8.816 812 1HB ALA 104 1HB ALA 104 12.703 0.840 10.086 813 2HB ALA 104 2HB ALA 104 13.974 0.837 8.862 814 3HB ALA 104 3HB ALA 104 13.680 -0.607 9.831 815 H GLN 105 H GLN 105 13.161 1.291 6.544 816 HA GLN 105 HA GLN 105 11.256 3.400 6.809 817 1HB GLN 105 2HB GLN 105 13.550 2.921 4.914 818 2HB GLN 105 1HB GLN 105 12.478 4.306 4.736 819 1HG GLN 105 2HG GLN 105 14.453 4.959 5.950 820 2HG GLN 105 1HG GLN 105 13.053 5.031 7.016 821 1HE2 GLN 105 1HE2 GLN 105 14.176 4.821 8.911 822 2HE2 GLN 105 2HE2 GLN 105 15.017 3.379 9.364 823 H GLN 106 H GLN 106 11.497 0.588 4.797 824 HA GLN 106 HA GLN 106 9.731 1.307 2.735 825 1HB GLN 106 2HB GLN 106 10.245 -1.367 4.057 826 2HB GLN 106 1HB GLN 106 9.210 -1.175 2.649 827 1HG GLN 106 2HG GLN 106 11.112 -0.300 1.373 828 2HG GLN 106 1HG GLN 106 12.148 -0.515 2.784 829 1HE2 GLN 106 1HE2 GLN 106 10.287 -2.155 0.323 830 2HE2 GLN 106 2HE2 GLN 106 11.050 -3.697 0.504 831 H LEU 107 H LEU 107 9.063 -0.411 5.789 832 HA LEU 107 HA LEU 107 6.224 -0.148 5.454 833 1HB LEU 107 2HB LEU 107 7.935 -1.142 7.730 834 2HB LEU 107 1HB LEU 107 6.192 -1.004 7.869 835 HG LEU 107 HG LEU 107 6.719 -3.283 7.348 836 1HD1 LEU 107 1HD1 LEU 107 5.477 -3.626 5.281 837 2HD1 LEU 107 2HD1 LEU 107 5.660 -1.919 4.879 838 3HD1 LEU 107 3HD1 LEU 107 4.718 -2.397 6.291 839 1HD2 LEU 107 1HD2 LEU 107 7.940 -3.960 5.349 840 2HD2 LEU 107 2HD2 LEU 107 8.945 -2.953 6.391 841 3HD2 LEU 107 3HD2 LEU 107 8.222 -2.267 4.936 842 H GLN 108 H GLN 108 8.708 1.783 6.885 843 HA GLN 108 HA GLN 108 7.247 3.400 8.632 844 1HB GLN 108 2HB GLN 108 9.721 3.520 8.258 845 2HB GLN 108 1HB GLN 108 9.419 4.295 6.711 846 1HG GLN 108 2HG GLN 108 9.944 6.053 8.140 847 2HG GLN 108 1HG GLN 108 8.185 6.094 8.044 848 1HE2 GLN 108 1HE2 GLN 108 10.940 5.430 10.046 849 2HE2 GLN 108 2HE2 GLN 108 10.085 5.327 11.545 850 H ILE 109 H ILE 109 7.796 3.734 5.144 851 HA ILE 109 HA ILE 109 6.100 5.958 4.738 852 HB ILE 109 HB ILE 109 7.168 3.844 2.863 853 1HG1 ILE 109 2HG1 ILE 109 8.812 5.436 3.750 854 2HG1 ILE 109 1HG1 ILE 109 8.568 5.687 2.027 855 1HG2 ILE 109 1HG2 ILE 109 6.371 5.233 0.986 856 2HG2 ILE 109 2HG2 ILE 109 5.503 6.256 2.132 857 3HG2 ILE 109 3HG2 ILE 109 5.046 4.564 1.937 858 1HD1 ILE 109 1HD1 ILE 109 8.741 7.795 3.212 859 2HD1 ILE 109 2HD1 ILE 109 7.379 7.350 4.240 860 3HD1 ILE 109 3HD1 ILE 109 7.134 7.604 2.511 861 H PHE 110 H PHE 110 5.568 2.456 4.462 862 HA PHE 110 HA PHE 110 2.990 2.503 3.404 863 1HB PHE 110 2HB PHE 110 4.339 0.439 3.598 864 2HB PHE 110 1HB PHE 110 4.145 0.473 5.345 865 HD1 PHE 110 1HD PHE 110 2.548 -0.260 2.153 866 HD2 PHE 110 2HD PHE 110 1.969 -0.070 6.370 867 HE1 PHE 110 1HE PHE 110 0.463 -1.543 1.923 868 HE2 PHE 110 2HE PHE 110 -0.118 -1.355 6.143 869 HZ PHE 110 HZ PHE 110 -0.877 -2.084 3.912 870 H ASN 111 H ASN 111 3.983 2.386 6.831 871 HA ASN 111 HA ASN 111 1.316 2.487 7.817 872 1HB ASN 111 2HB ASN 111 3.990 2.908 9.154 873 2HB ASN 111 1HB ASN 111 2.473 3.082 10.029 874 1HD2 ASN 111 1HD2 ASN 111 4.726 0.880 8.643 875 2HD2 ASN 111 2HD2 ASN 111 3.968 -0.571 9.189 876 H LEU 112 H LEU 112 3.659 4.903 6.929 877 HA LEU 112 HA LEU 112 2.616 7.125 8.261 878 1HB LEU 112 2HB LEU 112 4.772 7.107 7.054 879 2HB LEU 112 1HB LEU 112 3.911 7.029 5.528 880 HG LEU 112 HG LEU 112 2.929 9.258 5.979 881 1HD1 LEU 112 1HD1 LEU 112 4.723 9.255 8.409 882 2HD1 LEU 112 2HD1 LEU 112 2.960 9.201 8.419 883 3HD1 LEU 112 3HD1 LEU 112 3.793 10.629 7.808 884 1HD2 LEU 112 1HD2 LEU 112 5.946 9.171 6.137 885 2HD2 LEU 112 2HD2 LEU 112 4.978 10.555 5.630 886 3HD2 LEU 112 3HD2 LEU 112 4.979 9.080 4.664 887 H MET 113 H MET 113 1.932 6.024 4.919 888 HA MET 113 HA MET 113 -0.222 7.875 4.566 889 1HB MET 113 2HB MET 113 0.267 5.327 3.011 890 2HB MET 113 1HB MET 113 -0.705 6.693 2.506 891 1HG MET 113 2HG MET 113 2.245 6.948 3.016 892 2HG MET 113 1HG MET 113 1.598 6.445 1.459 893 1HE MET 113 1HE MET 113 0.658 9.293 4.154 894 2HE MET 113 2HE MET 113 1.327 10.674 3.285 895 3HE MET 113 3HE MET 113 2.390 9.379 3.833 896 H LYS 114 H LYS 114 0.066 4.561 5.634 897 HA LYS 114 HA LYS 114 -2.485 3.570 5.529 898 1HB LYS 114 2HB LYS 114 -0.560 2.291 6.329 899 2HB LYS 114 1HB LYS 114 -0.468 3.289 7.771 900 1HG LYS 114 2HG LYS 114 -2.773 2.440 8.370 901 2HG LYS 114 1HG LYS 114 -2.594 1.279 7.048 902 1HD LYS 114 2HD LYS 114 -0.567 0.385 8.100 903 2HD LYS 114 1HD LYS 114 -0.716 1.563 9.406 904 1HE LYS 114 2HE LYS 114 -1.566 -0.495 10.231 905 2HE LYS 114 1HE LYS 114 -2.959 0.542 9.929 906 1HZ LYS 114 1HZ LYS 114 -3.290 -0.624 7.816 907 2HZ LYS 114 2HZ LYS 114 -3.368 -1.677 9.131 908 3HZ LYS 114 3HZ LYS 114 -1.982 -1.640 8.167 909 H PHE 115 H PHE 115 -1.118 5.734 7.994 910 HA PHE 115 HA PHE 115 -3.761 5.916 9.288 911 1HB PHE 115 2HB PHE 115 -1.721 5.196 10.619 912 2HB PHE 115 1HB PHE 115 -1.089 6.823 10.397 913 HD1 PHE 115 1HD PHE 115 -1.564 8.438 12.007 914 HD2 PHE 115 2HD PHE 115 -4.114 5.038 11.665 915 HE1 PHE 115 1HE PHE 115 -2.805 9.168 14.002 916 HE2 PHE 115 2HE PHE 115 -5.355 5.769 13.658 917 HZ PHE 115 HZ PHE 115 -4.703 7.834 14.829 918 H ASP 116 H ASP 116 -2.662 7.401 6.825 919 HA ASP 116 HA ASP 116 -3.459 10.069 7.729 920 1HB ASP 116 2HB ASP 116 -0.984 10.021 7.786 921 2HB ASP 116 1HB ASP 116 -0.965 9.578 6.081 922 H SER 117 H SER 117 -1.994 9.310 4.611 923 HA SER 117 HA SER 117 -4.050 10.613 3.214 924 1HB SER 117 2HB SER 117 -1.715 10.351 2.379 925 2HB SER 117 1HB SER 117 -2.036 8.641 2.092 926 HG SER 117 HG SER 117 -2.850 10.877 0.665 927 H TYR 118 H TYR 118 -3.392 7.134 3.684 928 HA TYR 118 HA TYR 118 -5.525 6.090 2.230 929 1HB TYR 118 2HB TYR 118 -3.889 4.586 3.118 930 2HB TYR 118 1HB TYR 118 -4.203 5.112 4.768 931 HD1 TYR 118 1HD TYR 118 -6.151 3.678 1.898 932 HD2 TYR 118 2HD TYR 118 -5.387 3.623 6.086 933 HE1 TYR 118 1HE TYR 118 -7.756 1.838 2.162 934 HE2 TYR 118 2HE TYR 118 -6.993 1.785 6.360 935 HH TYR 118 HH TYR 118 -8.288 0.065 3.691 936 H ALA 119 H ALA 119 -5.456 6.982 5.681 937 HA ALA 119 HA ALA 119 -8.114 6.345 6.280 938 1HB ALA 119 1HB ALA 119 -6.410 6.774 7.993 939 2HB ALA 119 2HB ALA 119 -7.846 7.766 8.250 940 3HB ALA 119 3HB ALA 119 -6.393 8.481 7.551 941 H ARG 120 H ARG 120 -6.695 9.171 4.839 942 HA ARG 120 HA ARG 120 -8.990 10.865 5.002 943 1HB ARG 120 2HB ARG 120 -6.621 11.638 4.770 944 2HB ARG 120 1HB ARG 120 -6.613 11.010 3.129 945 1HG ARG 120 2HG ARG 120 -8.387 12.603 2.521 946 2HG ARG 120 1HG ARG 120 -8.362 13.241 4.171 947 1HD ARG 120 2HD ARG 120 -6.162 13.346 2.106 948 2HD ARG 120 1HD ARG 120 -7.016 14.701 2.849 949 HE ARG 120 HE ARG 120 -5.930 13.993 4.984 950 1HH1 ARG 120 1HH1 ARG 120 -4.456 13.214 1.896 951 2HH1 ARG 120 2HH1 ARG 120 -2.863 13.042 2.554 952 1HH2 ARG 120 1HH2 ARG 120 -3.843 13.717 5.858 953 2HH2 ARG 120 2HH2 ARG 120 -2.522 13.269 4.822 954 H PHE 121 H PHE 121 -7.570 8.802 2.507 955 HA PHE 121 HA PHE 121 -9.196 9.558 0.360 956 1HB PHE 121 2HB PHE 121 -7.099 8.309 0.085 957 2HB PHE 121 1HB PHE 121 -7.819 6.905 0.866 958 HD1 PHE 121 1HD PHE 121 -8.174 9.141 -2.084 959 HD2 PHE 121 2HD PHE 121 -8.955 5.299 -0.412 960 HE1 PHE 121 1HE PHE 121 -8.970 8.351 -4.273 961 HE2 PHE 121 2HE PHE 121 -9.752 4.508 -2.601 962 HZ PHE 121 HZ PHE 121 -9.760 6.035 -4.537 963 H VAL 122 H VAL 122 -9.561 6.905 2.695 964 HA VAL 122 HA VAL 122 -11.905 5.836 1.477 965 HB VAL 122 HB VAL 122 -12.171 4.513 3.544 966 1HG1 VAL 122 1HG1 VAL 122 -10.055 3.272 3.390 967 2HG1 VAL 122 2HG1 VAL 122 -9.334 4.619 2.507 968 3HG1 VAL 122 3HG1 VAL 122 -10.672 3.715 1.797 969 1HG2 VAL 122 1HG2 VAL 122 -9.819 6.119 4.566 970 2HG2 VAL 122 2HG2 VAL 122 -10.523 4.710 5.360 971 3HG2 VAL 122 3HG2 VAL 122 -11.471 6.185 5.182 972 H LYS 123 H LYS 123 -11.491 8.689 3.148 973 HA LYS 123 HA LYS 123 -14.321 8.741 3.979 974 1HB LYS 123 2HB LYS 123 -12.035 10.559 4.779 975 2HB LYS 123 1HB LYS 123 -13.705 10.764 5.289 976 1HG LYS 123 2HG LYS 123 -13.591 8.524 6.371 977 2HG LYS 123 1HG LYS 123 -11.878 8.459 5.961 978 1HD LYS 123 2HD LYS 123 -13.210 10.530 7.722 979 2HD LYS 123 1HD LYS 123 -12.212 9.185 8.276 980 1HE LYS 123 2HE LYS 123 -10.293 10.122 7.043 981 2HE LYS 123 1HE LYS 123 -11.298 11.480 6.534 982 1HZ LYS 123 1HZ LYS 123 -9.934 12.049 8.443 983 2HZ LYS 123 2HZ LYS 123 -10.616 10.791 9.339 984 3HZ LYS 123 3HZ LYS 123 -11.575 12.094 8.856 985 H SER 124 H SER 124 -12.078 9.872 1.680 986 HA SER 124 HA SER 124 -13.104 12.390 1.015 987 1HB SER 124 2HB SER 124 -11.709 10.369 -0.767 988 2HB SER 124 1HB SER 124 -11.904 12.086 -1.122 989 HG SER 124 HG SER 124 -10.769 11.488 1.332 990 HA PRO 125 HA PRO 125 -16.987 11.748 -0.966 991 1HB PRO 125 2HB PRO 125 -16.680 13.435 -3.171 992 2HB PRO 125 1HB PRO 125 -17.212 13.935 -1.563 993 1HG PRO 125 2HG PRO 125 -14.486 14.077 -2.790 994 2HG PRO 125 1HG PRO 125 -15.313 15.255 -1.752 995 1HD PRO 125 2HD PRO 125 -13.408 13.661 -0.767 996 2HD PRO 125 1HD PRO 125 -14.852 14.049 0.193 997 H LEU 126 H LEU 126 -14.157 11.699 -3.106 998 HA LEU 126 HA LEU 126 -15.222 10.474 -5.334 999 1HB LEU 126 2HB LEU 126 -12.915 11.391 -5.106 1000 2HB LEU 126 1HB LEU 126 -12.472 9.985 -4.161 1001 HG LEU 126 HG LEU 126 -13.514 9.625 -6.964 1002 1HD1 LEU 126 1HD1 LEU 126 -10.652 10.265 -6.239 1003 2HD1 LEU 126 2HD1 LEU 126 -11.748 11.311 -7.143 1004 3HD1 LEU 126 3HD1 LEU 126 -11.236 9.771 -7.829 1005 1HD2 LEU 126 1HD2 LEU 126 -13.223 7.630 -5.582 1006 2HD2 LEU 126 2HD2 LEU 126 -11.546 8.073 -5.270 1007 3HD2 LEU 126 3HD2 LEU 126 -12.057 7.647 -6.904 1008 H TYR 127 H TYR 127 -14.107 8.985 -2.325 1009 HA TYR 127 HA TYR 127 -14.348 6.299 -3.206 1010 1HB TYR 127 2HB TYR 127 -12.951 6.896 -1.288 1011 2HB TYR 127 1HB TYR 127 -14.366 7.451 -0.402 1012 HD1 TYR 127 1HD TYR 127 -12.935 4.388 -2.003 1013 HD2 TYR 127 2HD TYR 127 -15.489 5.966 1.020 1014 HE1 TYR 127 1HE TYR 127 -13.225 2.128 -1.073 1015 HE2 TYR 127 2HE TYR 127 -15.782 3.711 1.955 1016 HH TYR 127 HH TYR 127 -15.607 1.394 1.270 1017 H ARG 128 H ARG 128 -16.458 8.301 -1.131 1018 HA ARG 128 HA ARG 128 -18.422 6.317 -0.743 1019 1HB ARG 128 2HB ARG 128 -19.823 8.096 0.140 1020 2HB ARG 128 1HB ARG 128 -18.172 8.296 0.711 1021 1HG ARG 128 2HG ARG 128 -17.834 10.009 -1.069 1022 2HG ARG 128 1HG ARG 128 -19.548 9.871 -1.461 1023 1HD ARG 128 2HD ARG 128 -19.178 11.773 0.001 1024 2HD ARG 128 1HD ARG 128 -20.113 10.536 0.841 1025 HE ARG 128 HE ARG 128 -17.217 10.975 1.261 1026 1HH1 ARG 128 1HH1 ARG 128 -20.416 10.273 2.493 1027 2HH1 ARG 128 2HH1 ARG 128 -19.872 9.984 4.114 1028 1HH2 ARG 128 1HH2 ARG 128 -16.496 10.658 3.405 1029 2HH2 ARG 128 2HH2 ARG 128 -17.638 10.220 4.639 1030 H GLU 129 H GLU 129 -17.969 8.655 -3.314 1031 HA GLU 129 HA GLU 129 -20.524 8.304 -4.517 1032 1HB GLU 129 2HB GLU 129 -17.962 9.596 -5.264 1033 2HB GLU 129 1HB GLU 129 -18.967 9.076 -6.609 1034 1HG GLU 129 2HG GLU 129 -19.347 11.420 -5.965 1035 2HG GLU 129 1HG GLU 129 -20.797 10.426 -5.852 1036 H CYS 130 H CYS 130 -17.378 6.735 -4.965 1037 HA CYS 130 HA CYS 130 -18.122 5.100 -7.146 1038 1HB CYS 130 2HB CYS 130 -16.021 4.667 -5.004 1039 2HB CYS 130 1HB CYS 130 -16.174 3.687 -6.460 1040 HG CYS 130 HG CYS 130 -14.718 6.642 -6.044 1041 H LEU 131 H LEU 131 -18.750 4.918 -3.753 1042 HA LEU 131 HA LEU 131 -19.724 2.186 -3.860 1043 1HB LEU 131 2HB LEU 131 -19.510 4.278 -1.724 1044 2HB LEU 131 1HB LEU 131 -20.600 2.932 -1.485 1045 HG LEU 131 HG LEU 131 -18.656 1.378 -1.832 1046 1HD1 LEU 131 1HD1 LEU 131 -16.396 2.280 -1.631 1047 2HD1 LEU 131 2HD1 LEU 131 -17.041 3.921 -1.669 1048 3HD1 LEU 131 3HD1 LEU 131 -17.201 2.877 -3.081 1049 1HD2 LEU 131 1HD2 LEU 131 -17.709 1.735 0.394 1050 2HD2 LEU 131 2HD2 LEU 131 -19.461 1.925 0.399 1051 3HD2 LEU 131 3HD2 LEU 131 -18.421 3.349 0.443 1052 H LEU 132 H LEU 132 -21.311 5.203 -2.796 1053 HA LEU 132 HA LEU 132 -23.413 5.050 -4.673 1054 1HB LEU 132 2HB LEU 132 -25.282 4.399 -3.325 1055 2HB LEU 132 1HB LEU 132 -24.087 3.124 -3.257 1056 HG LEU 132 HG LEU 132 -24.509 5.167 -1.059 1057 1HD1 LEU 132 1HD1 LEU 132 -25.507 2.323 -1.245 1058 2HD1 LEU 132 2HD1 LEU 132 -26.495 3.782 -1.320 1059 3HD1 LEU 132 3HD1 LEU 132 -25.636 3.375 0.165 1060 1HD2 LEU 132 1HD2 LEU 132 -22.949 2.577 -1.098 1061 2HD2 LEU 132 2HD2 LEU 132 -23.187 3.620 0.305 1062 3HD2 LEU 132 3HD2 LEU 132 -22.264 4.204 -1.078 1063 H ALA 133 H ALA 133 -22.519 6.129 -1.418 1064 HA ALA 133 HA ALA 133 -22.866 8.870 -1.952 1065 1HB ALA 133 1HB ALA 133 -25.256 8.291 -2.021 1066 2HB ALA 133 2HB ALA 133 -24.883 9.362 -0.671 1067 3HB ALA 133 3HB ALA 133 -25.142 7.641 -0.385 1068 H GLU 134 H GLU 134 -22.627 6.245 0.343 1069 HA GLU 134 HA GLU 134 -21.106 7.966 2.129 1070 1HB GLU 134 2HB GLU 134 -23.374 7.722 3.090 1071 2HB GLU 134 1HB GLU 134 -23.221 5.973 3.012 1072 1HG GLU 134 2HG GLU 134 -22.858 6.880 5.274 1073 2HG GLU 134 1HG GLU 134 -21.461 6.000 4.656 1074 H ALA 135 H ALA 135 -19.477 6.911 3.187 1075 HA ALA 135 HA ALA 135 -18.229 4.812 1.749 1076 1HB ALA 135 1HB ALA 135 -16.965 6.598 2.839 1077 2HB ALA 135 2HB ALA 135 -16.438 5.008 3.393 1078 3HB ALA 135 3HB ALA 135 -17.475 6.002 4.419 1079 H GLU 136 H GLU 136 -19.658 4.955 5.010 1080 HA GLU 136 HA GLU 136 -20.444 3.352 6.417 1081 1HB GLU 136 2HB GLU 136 -20.697 1.813 3.820 1082 2HB GLU 136 1HB GLU 136 -21.395 1.292 5.348 1083 1HG GLU 136 2HG GLU 136 -22.055 3.937 4.071 1084 2HG GLU 136 1HG GLU 136 -22.949 2.457 3.726 Start of MODEL 3 1 1H SER 1 1HT SER 1 -10.143 -19.273 -9.802 2 2H SER 1 2HT SER 1 -9.929 -17.841 -10.675 3 3H SER 1 3HT SER 1 -11.490 -18.408 -10.347 4 HA SER 1 HA SER 1 -9.530 -17.488 -8.340 5 1HB SER 1 2HB SER 1 -11.261 -15.633 -8.040 6 2HB SER 1 1HB SER 1 -10.321 -15.575 -9.531 7 HG SER 1 HG SER 1 -12.294 -15.379 -10.311 8 H MET 2 H MET 2 -10.201 -17.611 -6.193 9 HA MET 2 HA MET 2 -12.027 -19.714 -5.533 10 1HB MET 2 2HB MET 2 -10.591 -17.676 -3.811 11 2HB MET 2 1HB MET 2 -11.579 -18.975 -3.161 12 1HG MET 2 2HG MET 2 -9.105 -19.340 -4.841 13 2HG MET 2 1HG MET 2 -9.189 -19.487 -3.086 14 1HE MET 2 1HE MET 2 -8.720 -23.210 -4.034 15 2HE MET 2 2HE MET 2 -8.201 -21.885 -2.993 16 3HE MET 2 3HE MET 2 -7.927 -21.798 -4.733 17 H THR 3 H THR 3 -12.002 -16.216 -5.018 18 HA THR 3 HA THR 3 -14.944 -16.247 -4.867 19 HB THR 3 HB THR 3 -13.938 -15.852 -2.619 20 HG1 THR 3 1HG THR 3 -15.667 -14.685 -2.370 21 1HG2 THR 3 1HG2 THR 3 -11.867 -14.732 -3.342 22 2HG2 THR 3 2HG2 THR 3 -12.751 -13.767 -2.160 23 3HG2 THR 3 3HG2 THR 3 -12.810 -13.337 -3.869 24 H GLU 4 H GLU 4 -15.833 -14.006 -5.347 25 HA GLU 4 HA GLU 4 -14.201 -12.381 -7.122 26 1HB GLU 4 2HB GLU 4 -15.231 -14.386 -8.418 27 2HB GLU 4 1HB GLU 4 -16.765 -13.554 -8.214 28 1HG GLU 4 2HG GLU 4 -15.878 -11.616 -9.416 29 2HG GLU 4 1HG GLU 4 -14.330 -12.439 -9.604 30 H GLU 5 H GLU 5 -16.142 -10.796 -8.234 31 HA GLU 5 HA GLU 5 -17.567 -9.083 -7.847 32 1HB GLU 5 2HB GLU 5 -18.491 -10.729 -5.473 33 2HB GLU 5 1HB GLU 5 -19.312 -9.309 -6.110 34 1HG GLU 5 2HG GLU 5 -19.808 -10.447 -8.167 35 2HG GLU 5 1HG GLU 5 -18.830 -11.833 -7.685 36 H GLN 6 H GLN 6 -15.473 -8.065 -7.427 37 HA GLN 6 HA GLN 6 -15.098 -7.281 -4.609 38 1HB GLN 6 2HB GLN 6 -13.159 -7.185 -6.934 39 2HB GLN 6 1HB GLN 6 -12.816 -6.575 -5.321 40 1HG GLN 6 2HG GLN 6 -13.156 -8.871 -4.436 41 2HG GLN 6 1HG GLN 6 -13.344 -9.439 -6.096 42 1HE2 GLN 6 1HE2 GLN 6 -11.537 -9.500 -7.453 43 2HE2 GLN 6 2HE2 GLN 6 -9.926 -9.369 -6.844 44 HA PRO 7 HA PRO 7 -16.582 -3.298 -6.231 45 1HB PRO 7 2HB PRO 7 -17.174 -2.639 -3.464 46 2HB PRO 7 1HB PRO 7 -18.302 -2.902 -4.796 47 1HG PRO 7 2HG PRO 7 -18.070 -4.590 -2.654 48 2HG PRO 7 1HG PRO 7 -18.622 -5.106 -4.258 49 1HD PRO 7 2HD PRO 7 -15.909 -5.389 -3.006 50 2HD PRO 7 1HD PRO 7 -16.826 -6.555 -3.989 51 H VAL 8 H VAL 8 -15.719 -1.170 -5.991 52 HA VAL 8 HA VAL 8 -13.004 -1.015 -5.265 53 HB VAL 8 HB VAL 8 -13.180 1.409 -5.565 54 1HG1 VAL 8 1HG1 VAL 8 -12.991 0.016 -7.554 55 2HG1 VAL 8 2HG1 VAL 8 -13.987 1.434 -7.886 56 3HG1 VAL 8 3HG1 VAL 8 -14.748 -0.138 -7.636 57 1HG2 VAL 8 1HG2 VAL 8 -15.336 2.468 -6.094 58 2HG2 VAL 8 2HG2 VAL 8 -15.315 1.809 -4.458 59 3HG2 VAL 8 3HG2 VAL 8 -16.163 0.949 -5.744 60 H ALA 9 H ALA 9 -15.884 -0.665 -3.413 61 HA ALA 9 HA ALA 9 -14.972 0.880 -1.260 62 1HB ALA 9 1HB ALA 9 -16.818 -0.109 0.002 63 2HB ALA 9 2HB ALA 9 -17.010 -1.351 -1.237 64 3HB ALA 9 3HB ALA 9 -17.333 0.339 -1.625 65 H SER 10 H SER 10 -14.128 -2.285 -2.231 66 HA SER 10 HA SER 10 -13.621 -3.542 0.224 67 1HB SER 10 2HB SER 10 -13.752 -4.688 -1.996 68 2HB SER 10 1HB SER 10 -12.177 -4.010 -2.401 69 HG SER 10 HG SER 10 -11.440 -5.109 -0.403 70 H TRP 11 H TRP 11 -11.954 -0.967 -1.300 71 HA TRP 11 HA TRP 11 -9.320 -1.396 -0.426 72 1HB TRP 11 2HB TRP 11 -10.758 1.252 -0.722 73 2HB TRP 11 1HB TRP 11 -9.015 1.030 -0.651 74 HD1 TRP 11 HD TRP 11 -9.139 -1.562 -2.765 75 HE1 TRP 11 1HE TRP 11 -9.367 -0.976 -5.265 76 HE3 TRP 11 3HE TRP 11 -10.936 3.193 -2.313 77 HZ2 TRP 11 2HZ TRP 11 -10.196 1.226 -6.832 78 HZ3 TRP 11 3HZ TRP 11 -11.418 4.481 -4.347 79 HH2 TRP 11 HH TRP 11 -11.057 3.516 -6.568 80 H ALA 12 H ALA 12 -12.164 -0.288 1.253 81 HA ALA 12 HA ALA 12 -10.808 0.949 3.447 82 1HB ALA 12 1HB ALA 12 -13.069 1.612 2.776 83 2HB ALA 12 2HB ALA 12 -13.015 1.114 4.467 84 3HB ALA 12 3HB ALA 12 -13.675 0.024 3.247 85 H LEU 13 H LEU 13 -11.154 -2.251 2.613 86 HA LEU 13 HA LEU 13 -11.545 -3.340 5.253 87 1HB LEU 13 2HB LEU 13 -10.660 -4.676 2.688 88 2HB LEU 13 1HB LEU 13 -11.075 -5.515 4.172 89 HG LEU 13 HG LEU 13 -12.981 -3.851 2.506 90 1HD1 LEU 13 1HD1 LEU 13 -14.041 -5.990 1.967 91 2HD1 LEU 13 2HD1 LEU 13 -12.777 -6.844 2.850 92 3HD1 LEU 13 3HD1 LEU 13 -12.376 -5.930 1.394 93 1HD2 LEU 13 1HD2 LEU 13 -13.549 -3.769 4.879 94 2HD2 LEU 13 2HD2 LEU 13 -13.486 -5.530 4.969 95 3HD2 LEU 13 3HD2 LEU 13 -14.720 -4.740 3.988 96 H SER 14 H SER 14 -8.807 -2.811 3.067 97 HA SER 14 HA SER 14 -6.968 -2.907 5.302 98 1HB SER 14 2HB SER 14 -6.534 -4.819 2.991 99 2HB SER 14 1HB SER 14 -5.567 -4.680 4.457 100 HG SER 14 HG SER 14 -7.688 -5.219 5.537 101 H PHE 15 H PHE 15 -5.329 -1.499 4.981 102 HA PHE 15 HA PHE 15 -5.231 0.150 2.681 103 1HB PHE 15 2HB PHE 15 -4.481 0.957 4.871 104 2HB PHE 15 1HB PHE 15 -3.181 -0.230 4.887 105 HD1 PHE 15 1HD PHE 15 -4.292 1.947 2.077 106 HD2 PHE 15 2HD PHE 15 -1.248 1.089 4.930 107 HE1 PHE 15 1HE PHE 15 -2.814 3.582 0.989 108 HE2 PHE 15 2HE PHE 15 0.232 2.723 3.843 109 HZ PHE 15 HZ PHE 15 -0.550 3.972 1.871 110 H GLU 16 H GLU 16 -3.121 -2.446 3.830 111 HA GLU 16 HA GLU 16 -1.201 -2.620 1.934 112 1HB GLU 16 2HB GLU 16 -1.359 -4.135 3.853 113 2HB GLU 16 1HB GLU 16 -2.759 -4.920 3.139 114 1HG GLU 16 2HG GLU 16 -1.334 -5.665 1.255 115 2HG GLU 16 1HG GLU 16 0.060 -4.950 2.067 116 H ARG 17 H ARG 17 -4.468 -4.048 1.680 117 HA ARG 17 HA ARG 17 -4.095 -5.162 -0.871 118 1HB ARG 17 2HB ARG 17 -5.958 -5.764 0.696 119 2HB ARG 17 1HB ARG 17 -6.727 -4.231 0.314 120 1HG ARG 17 2HG ARG 17 -6.025 -6.099 -1.916 121 2HG ARG 17 1HG ARG 17 -7.435 -6.445 -0.917 122 1HD ARG 17 2HD ARG 17 -8.548 -4.507 -1.605 123 2HD ARG 17 1HD ARG 17 -7.063 -3.730 -2.150 124 HE ARG 17 HE ARG 17 -7.293 -4.758 -4.177 125 1HH1 ARG 17 1HH1 ARG 17 -9.426 -6.393 -1.908 126 2HH1 ARG 17 2HH1 ARG 17 -10.208 -7.324 -3.149 127 1HH2 ARG 17 1HH2 ARG 17 -8.333 -5.954 -5.782 128 2HH2 ARG 17 2HH2 ARG 17 -9.589 -7.077 -5.346 129 H LEU 18 H LEU 18 -5.661 -2.095 0.086 130 HA LEU 18 HA LEU 18 -6.238 -1.040 -2.407 131 1HB LEU 18 2HB LEU 18 -6.979 0.149 -0.493 132 2HB LEU 18 1HB LEU 18 -5.359 0.254 0.172 133 HG LEU 18 HG LEU 18 -4.788 1.782 -1.787 134 1HD1 LEU 18 1HD1 LEU 18 -6.616 2.924 -2.899 135 2HD1 LEU 18 2HD1 LEU 18 -7.786 1.900 -2.066 136 3HD1 LEU 18 3HD1 LEU 18 -6.665 1.193 -3.229 137 1HD2 LEU 18 1HD2 LEU 18 -5.799 3.756 -0.728 138 2HD2 LEU 18 2HD2 LEU 18 -5.088 2.650 0.446 139 3HD2 LEU 18 3HD2 LEU 18 -6.840 2.698 0.227 140 H LEU 19 H LEU 19 -3.228 -0.934 -0.612 141 HA LEU 19 HA LEU 19 -1.943 0.856 -2.443 142 1HB LEU 19 2HB LEU 19 -1.620 0.862 0.024 143 2HB LEU 19 1HB LEU 19 -0.823 -0.693 -0.104 144 HG LEU 19 HG LEU 19 0.959 0.302 -1.424 145 1HD1 LEU 19 1HD1 LEU 19 1.102 2.757 -1.682 146 2HD1 LEU 19 2HD1 LEU 19 -0.532 2.899 -1.027 147 3HD1 LEU 19 3HD1 LEU 19 -0.264 2.063 -2.558 148 1HD2 LEU 19 1HD2 LEU 19 1.202 0.227 0.990 149 2HD2 LEU 19 2HD2 LEU 19 0.428 1.804 1.131 150 3HD2 LEU 19 3HD2 LEU 19 1.989 1.657 0.325 151 H GLN 20 H GLN 20 -2.135 -2.573 -2.016 152 HA GLN 20 HA GLN 20 0.149 -3.056 -3.791 153 1HB GLN 20 2HB GLN 20 -0.155 -4.415 -1.709 154 2HB GLN 20 1HB GLN 20 -1.649 -5.048 -2.379 155 1HG GLN 20 2HG GLN 20 -0.157 -6.732 -2.837 156 2HG GLN 20 1HG GLN 20 -0.163 -5.832 -4.346 157 1HE2 GLN 20 1HE2 GLN 20 1.539 -3.669 -3.250 158 2HE2 GLN 20 2HE2 GLN 20 3.127 -4.333 -3.145 159 H ASP 21 H ASP 21 -3.143 -2.515 -3.985 160 HA ASP 21 HA ASP 21 -3.675 -4.271 -6.247 161 1HB ASP 21 2HB ASP 21 -5.375 -3.760 -4.430 162 2HB ASP 21 1HB ASP 21 -5.467 -2.125 -5.071 163 HA PRO 22 HA PRO 22 -2.234 -1.192 -9.130 164 1HB PRO 22 2HB PRO 22 -3.453 -2.156 -11.396 165 2HB PRO 22 1HB PRO 22 -1.978 -2.843 -10.705 166 1HG PRO 22 2HG PRO 22 -4.817 -3.761 -10.405 167 2HG PRO 22 1HG PRO 22 -3.353 -4.725 -10.681 168 1HD PRO 22 2HD PRO 22 -4.469 -4.505 -8.238 169 2HD PRO 22 1HD PRO 22 -2.708 -4.612 -8.452 170 H LEU 23 H LEU 23 -5.672 -2.055 -9.049 171 HA LEU 23 HA LEU 23 -6.526 0.352 -10.389 172 1HB LEU 23 2HB LEU 23 -7.697 -1.935 -10.364 173 2HB LEU 23 1HB LEU 23 -8.224 -1.539 -8.744 174 HG LEU 23 HG LEU 23 -8.907 0.167 -11.148 175 1HD1 LEU 23 1HD1 LEU 23 -11.087 -0.932 -11.161 176 2HD1 LEU 23 2HD1 LEU 23 -10.547 -2.040 -9.899 177 3HD1 LEU 23 3HD1 LEU 23 -9.793 -2.082 -11.493 178 1HD2 LEU 23 1HD2 LEU 23 -10.715 0.991 -9.699 179 2HD2 LEU 23 2HD2 LEU 23 -9.125 1.313 -9.011 180 3HD2 LEU 23 3HD2 LEU 23 -10.106 -0.010 -8.379 181 H GLY 24 H GLY 24 -6.456 -0.908 -7.099 182 1HA GLY 24 2HA GLY 24 -7.654 1.239 -5.753 183 2HA GLY 24 1HA GLY 24 -6.499 0.109 -5.054 184 H LEU 25 H LEU 25 -4.179 0.549 -6.139 185 HA LEU 25 HA LEU 25 -3.281 2.958 -5.025 186 1HB LEU 25 2HB LEU 25 -2.066 0.667 -5.848 187 2HB LEU 25 1HB LEU 25 -1.598 1.745 -7.146 188 HG LEU 25 HG LEU 25 -0.991 2.084 -4.202 189 1HD1 LEU 25 1HD1 LEU 25 0.392 0.428 -5.342 190 2HD1 LEU 25 2HD1 LEU 25 1.331 1.847 -4.884 191 3HD1 LEU 25 3HD1 LEU 25 0.833 1.625 -6.561 192 1HD2 LEU 25 1HD2 LEU 25 -1.437 4.272 -5.181 193 2HD2 LEU 25 2HD2 LEU 25 -0.292 3.938 -6.481 194 3HD2 LEU 25 3HD2 LEU 25 0.277 4.080 -4.817 195 H ALA 26 H ALA 26 -4.410 2.157 -8.237 196 HA ALA 26 HA ALA 26 -3.397 4.279 -9.713 197 1HB ALA 26 1HB ALA 26 -5.301 3.994 -11.205 198 2HB ALA 26 2HB ALA 26 -6.156 3.070 -9.969 199 3HB ALA 26 3HB ALA 26 -4.683 2.423 -10.692 200 H TYR 27 H TYR 27 -6.563 4.166 -8.042 201 HA TYR 27 HA TYR 27 -7.059 6.962 -8.363 202 1HB TYR 27 2HB TYR 27 -8.275 4.857 -6.560 203 2HB TYR 27 1HB TYR 27 -8.801 6.535 -6.527 204 HD1 TYR 27 1HD TYR 27 -10.338 7.351 -8.112 205 HD2 TYR 27 2HD TYR 27 -8.520 3.550 -8.727 206 HE1 TYR 27 1HE TYR 27 -11.903 6.912 -9.948 207 HE2 TYR 27 2HE TYR 27 -10.080 3.098 -10.571 208 HH TYR 27 HH TYR 27 -12.071 5.513 -11.945 209 H PHE 28 H PHE 28 -5.653 5.003 -5.800 210 HA PHE 28 HA PHE 28 -5.669 6.909 -3.755 211 1HB PHE 28 2HB PHE 28 -5.238 4.512 -3.380 212 2HB PHE 28 1HB PHE 28 -3.693 4.658 -4.209 213 HD1 PHE 28 1HD PHE 28 -5.398 6.683 -1.563 214 HD2 PHE 28 2HD PHE 28 -1.949 4.455 -2.705 215 HE1 PHE 28 1HE PHE 28 -4.326 7.252 0.575 216 HE2 PHE 28 2HE PHE 28 -0.877 5.024 -0.564 217 HZ PHE 28 HZ PHE 28 -2.063 6.420 1.077 218 H THR 29 H THR 29 -3.134 6.164 -6.146 219 HA THR 29 HA THR 29 -1.305 8.078 -5.134 220 HB THR 29 HB THR 29 -0.620 6.135 -6.567 221 HG1 THR 29 1HG THR 29 1.035 7.286 -7.528 222 1HG2 THR 29 1HG2 THR 29 -0.756 6.338 -9.000 223 2HG2 THR 29 2HG2 THR 29 -1.692 7.823 -8.833 224 3HG2 THR 29 3HG2 THR 29 -2.369 6.290 -8.286 225 H GLU 30 H GLU 30 -3.828 8.168 -7.617 226 HA GLU 30 HA GLU 30 -3.260 10.664 -8.737 227 1HB GLU 30 2HB GLU 30 -5.885 9.228 -8.317 228 2HB GLU 30 1HB GLU 30 -5.775 10.746 -9.190 229 1HG GLU 30 2HG GLU 30 -4.214 9.677 -10.783 230 2HG GLU 30 1HG GLU 30 -4.444 8.150 -9.935 231 H PHE 31 H PHE 31 -5.437 9.888 -6.024 232 HA PHE 31 HA PHE 31 -6.111 12.595 -5.492 233 1HB PHE 31 2HB PHE 31 -7.524 10.651 -4.829 234 2HB PHE 31 1HB PHE 31 -6.317 10.215 -3.625 235 HD1 PHE 31 1HD PHE 31 -8.715 12.857 -4.621 236 HD2 PHE 31 2HD PHE 31 -6.295 11.259 -1.494 237 HE1 PHE 31 1HE PHE 31 -9.793 14.370 -3.014 238 HE2 PHE 31 2HE PHE 31 -7.374 12.775 0.116 239 HZ PHE 31 HZ PHE 31 -9.126 14.334 -0.642 240 H LEU 32 H LEU 32 -3.390 10.676 -4.682 241 HA LEU 32 HA LEU 32 -2.601 12.453 -2.492 242 1HB LEU 32 2HB LEU 32 -2.427 9.909 -2.410 243 2HB LEU 32 1HB LEU 32 -1.110 10.050 -3.555 244 HG LEU 32 HG LEU 32 0.207 11.313 -1.928 245 1HD1 LEU 32 1HD1 LEU 32 -0.555 11.645 0.347 246 2HD1 LEU 32 2HD1 LEU 32 -2.122 10.936 -0.049 247 3HD1 LEU 32 3HD1 LEU 32 -1.627 12.461 -0.789 248 1HD2 LEU 32 1HD2 LEU 32 0.593 9.533 -0.305 249 2HD2 LEU 32 2HD2 LEU 32 0.369 8.872 -1.923 250 3HD2 LEU 32 3HD2 LEU 32 -0.942 8.781 -0.747 251 H LYS 33 H LYS 33 -2.166 12.069 -5.839 252 HA LYS 33 HA LYS 33 0.476 13.305 -5.917 253 1HB LYS 33 2HB LYS 33 -0.147 11.376 -7.400 254 2HB LYS 33 1HB LYS 33 -1.279 12.436 -8.225 255 1HG LYS 33 2HG LYS 33 0.512 13.832 -9.017 256 2HG LYS 33 1HG LYS 33 1.691 12.938 -8.054 257 1HD LYS 33 2HD LYS 33 0.063 11.825 -10.351 258 2HD LYS 33 1HD LYS 33 1.772 12.259 -10.408 259 1HE LYS 33 2HE LYS 33 2.230 10.560 -8.666 260 2HE LYS 33 1HE LYS 33 0.528 10.098 -8.698 261 1HZ LYS 33 1HZ LYS 33 1.906 8.627 -10.043 262 2HZ LYS 33 2HZ LYS 33 2.392 9.925 -11.006 263 3HZ LYS 33 3HZ LYS 33 0.772 9.437 -10.996 264 H LYS 34 H LYS 34 -2.855 14.175 -6.282 265 HA LYS 34 HA LYS 34 -2.688 16.518 -7.795 266 1HB LYS 34 2HB LYS 34 -4.719 17.243 -6.540 267 2HB LYS 34 1HB LYS 34 -4.835 15.596 -7.150 268 1HG LYS 34 2HG LYS 34 -4.360 14.699 -4.960 269 2HG LYS 34 1HG LYS 34 -4.083 16.318 -4.318 270 1HD LYS 34 2HD LYS 34 -6.712 15.415 -5.496 271 2HD LYS 34 1HD LYS 34 -6.327 15.311 -3.778 272 1HE LYS 34 2HE LYS 34 -6.368 17.846 -5.424 273 2HE LYS 34 1HE LYS 34 -7.628 17.325 -4.307 274 1HZ LYS 34 1HZ LYS 34 -4.858 18.150 -3.657 275 2HZ LYS 34 2HZ LYS 34 -5.848 17.352 -2.547 276 3HZ LYS 34 3HZ LYS 34 -6.303 18.866 -3.150 277 H GLU 35 H GLU 35 -1.780 15.857 -4.520 278 HA GLU 35 HA GLU 35 -0.961 18.658 -4.103 279 1HB GLU 35 2HB GLU 35 -0.996 17.858 -1.612 280 2HB GLU 35 1HB GLU 35 -2.509 18.244 -2.423 281 1HG GLU 35 2HG GLU 35 -2.561 15.706 -2.991 282 2HG GLU 35 1HG GLU 35 -1.399 15.567 -1.672 283 H PHE 36 H PHE 36 0.230 15.944 -5.155 284 HA PHE 36 HA PHE 36 2.300 15.169 -5.563 285 1HB PHE 36 2HB PHE 36 2.791 17.665 -5.736 286 2HB PHE 36 1HB PHE 36 3.399 17.573 -4.087 287 HD1 PHE 36 1HD PHE 36 5.631 16.917 -3.685 288 HD2 PHE 36 2HD PHE 36 3.871 16.153 -7.491 289 HE1 PHE 36 1HE PHE 36 7.819 16.198 -4.554 290 HE2 PHE 36 2HE PHE 36 6.058 15.436 -8.360 291 HZ PHE 36 HZ PHE 36 8.033 15.455 -6.891 292 H SER 37 H SER 37 0.851 14.948 -2.834 293 HA SER 37 HA SER 37 2.977 14.399 -0.981 294 1HB SER 37 2HB SER 37 0.012 13.794 -0.822 295 2HB SER 37 1HB SER 37 1.155 13.740 0.514 296 HG SER 37 HG SER 37 1.431 16.101 -0.607 297 H ALA 38 H ALA 38 1.942 12.827 -3.633 298 HA ALA 38 HA ALA 38 1.783 10.119 -2.828 299 1HB ALA 38 1HB ALA 38 0.921 10.916 -4.977 300 2HB ALA 38 2HB ALA 38 2.071 9.597 -5.195 301 3HB ALA 38 3HB ALA 38 2.565 11.261 -5.513 302 H GLU 39 H GLU 39 4.314 12.136 -2.500 303 HA GLU 39 HA GLU 39 6.599 10.908 -3.439 304 1HB GLU 39 2HB GLU 39 6.238 12.191 -0.713 305 2HB GLU 39 1HB GLU 39 7.761 11.987 -1.570 306 1HG GLU 39 2HG GLU 39 7.076 13.537 -3.276 307 2HG GLU 39 1HG GLU 39 5.459 13.643 -2.584 308 H ASN 40 H ASN 40 4.720 10.214 -0.550 309 HA ASN 40 HA ASN 40 6.406 8.333 0.653 310 1HB ASN 40 2HB ASN 40 3.384 8.558 0.803 311 2HB ASN 40 1HB ASN 40 4.390 7.634 1.915 312 1HD2 ASN 40 1HD2 ASN 40 2.584 9.968 2.302 313 2HD2 ASN 40 2HD2 ASN 40 3.552 11.150 3.105 314 H VAL 41 H VAL 41 3.540 7.771 -1.419 315 HA VAL 41 HA VAL 41 3.805 4.955 -1.377 316 HB VAL 41 HB VAL 41 2.149 4.848 -3.119 317 1HG1 VAL 41 1HG1 VAL 41 1.322 5.385 -0.908 318 2HG1 VAL 41 2HG1 VAL 41 0.346 6.199 -2.130 319 3HG1 VAL 41 3HG1 VAL 41 1.546 7.107 -1.211 320 1HG2 VAL 41 1HG2 VAL 41 1.312 6.848 -4.289 321 2HG2 VAL 41 2HG2 VAL 41 3.009 6.530 -4.652 322 3HG2 VAL 41 3HG2 VAL 41 2.573 7.815 -3.523 323 H THR 42 H THR 42 5.084 7.445 -3.498 324 HA THR 42 HA THR 42 5.921 5.733 -5.597 325 HB THR 42 HB THR 42 7.082 8.421 -4.773 326 HG1 THR 42 1HG THR 42 4.788 8.413 -5.233 327 1HG2 THR 42 1HG2 THR 42 8.533 7.208 -6.341 328 2HG2 THR 42 2HG2 THR 42 7.779 8.596 -7.125 329 3HG2 THR 42 3HG2 THR 42 7.165 6.972 -7.430 330 H PHE 43 H PHE 43 7.531 6.990 -2.696 331 HA PHE 43 HA PHE 43 10.044 5.795 -3.005 332 1HB PHE 43 2HB PHE 43 9.661 7.426 -1.265 333 2HB PHE 43 1HB PHE 43 8.412 6.431 -0.530 334 HD1 PHE 43 1HD PHE 43 12.061 6.489 -1.280 335 HD2 PHE 43 2HD PHE 43 8.951 4.970 1.205 336 HE1 PHE 43 1HE PHE 43 13.742 5.510 0.226 337 HE2 PHE 43 2HE PHE 43 10.629 3.987 2.709 338 HZ PHE 43 HZ PHE 43 13.028 4.257 2.222 339 H TRP 44 H TRP 44 7.073 4.620 -1.523 340 HA TRP 44 HA TRP 44 7.926 2.113 -0.656 341 1HB TRP 44 2HB TRP 44 5.792 3.239 -0.043 342 2HB TRP 44 1HB TRP 44 5.180 2.921 -1.659 343 HD1 TRP 44 HD TRP 44 6.218 1.010 1.541 344 HE1 TRP 44 1HE TRP 44 4.896 -1.198 1.612 345 HE3 TRP 44 3HE TRP 44 3.934 1.312 -3.015 346 HZ2 TRP 44 2HZ TRP 44 3.102 -2.619 -0.059 347 HZ3 TRP 44 3HZ TRP 44 2.428 -0.504 -3.708 348 HH2 TRP 44 HH TRP 44 2.020 -2.431 -2.258 349 H LYS 45 H LYS 45 6.667 3.158 -3.804 350 HA LYS 45 HA LYS 45 6.480 0.696 -5.110 351 1HB LYS 45 2HB LYS 45 7.418 3.305 -6.343 352 2HB LYS 45 1HB LYS 45 6.742 1.933 -7.206 353 1HG LYS 45 2HG LYS 45 5.258 3.620 -5.201 354 2HG LYS 45 1HG LYS 45 5.157 3.794 -6.949 355 1HD LYS 45 2HD LYS 45 4.408 1.303 -5.412 356 2HD LYS 45 1HD LYS 45 3.276 2.531 -5.982 357 1HE LYS 45 2HE LYS 45 3.813 2.063 -8.274 358 2HE LYS 45 1HE LYS 45 5.134 0.996 -7.801 359 1HZ LYS 45 1HZ LYS 45 2.238 0.512 -7.348 360 2HZ LYS 45 2HZ LYS 45 3.481 -0.493 -6.796 361 3HZ LYS 45 3HZ LYS 45 3.233 -0.288 -8.455 362 H ALA 46 H ALA 46 9.181 2.985 -5.062 363 HA ALA 46 HA ALA 46 11.009 1.412 -6.501 364 1HB ALA 46 1HB ALA 46 11.249 3.832 -6.196 365 2HB ALA 46 2HB ALA 46 12.703 2.974 -5.687 366 3HB ALA 46 3HB ALA 46 11.571 3.588 -4.480 367 H CYS 47 H CYS 47 10.206 1.554 -3.090 368 HA CYS 47 HA CYS 47 12.415 0.079 -2.129 369 1HB CYS 47 2HB CYS 47 9.640 0.433 -0.979 370 2HB CYS 47 1HB CYS 47 10.994 -0.292 -0.115 371 HG CYS 47 HG CYS 47 11.326 2.847 -1.371 372 H GLU 48 H GLU 48 9.155 -0.916 -3.195 373 HA GLU 48 HA GLU 48 9.503 -3.662 -2.640 374 1HB GLU 48 2HB GLU 48 7.751 -2.370 -4.746 375 2HB GLU 48 1HB GLU 48 7.666 -4.055 -4.252 376 1HG GLU 48 2HG GLU 48 7.282 -3.073 -1.875 377 2HG GLU 48 1HG GLU 48 6.843 -1.608 -2.754 378 H ARG 49 H ARG 49 10.275 -1.683 -5.452 379 HA ARG 49 HA ARG 49 11.222 -3.672 -7.186 380 1HB ARG 49 2HB ARG 49 12.053 -0.799 -6.767 381 2HB ARG 49 1HB ARG 49 12.789 -1.806 -8.005 382 1HG ARG 49 2HG ARG 49 10.667 -2.060 -9.126 383 2HG ARG 49 1HG ARG 49 9.843 -1.185 -7.832 384 1HD ARG 49 2HD ARG 49 10.405 0.124 -9.956 385 2HD ARG 49 1HD ARG 49 10.850 0.858 -8.415 386 HE ARG 49 HE ARG 49 13.096 -0.498 -9.147 387 1HH1 ARG 49 1HH1 ARG 49 11.106 1.869 -10.814 388 2HH1 ARG 49 2HH1 ARG 49 12.454 2.562 -11.664 389 1HH2 ARG 49 1HH2 ARG 49 14.839 0.421 -10.247 390 2HH2 ARG 49 2HH2 ARG 49 14.561 1.731 -11.359 391 H PHE 50 H PHE 50 12.708 -2.055 -4.462 392 HA PHE 50 HA PHE 50 15.368 -2.939 -4.947 393 1HB PHE 50 2HB PHE 50 14.761 -0.902 -3.645 394 2HB PHE 50 1HB PHE 50 14.108 -1.931 -2.379 395 HD1 PHE 50 1HD PHE 50 17.247 -1.213 -4.244 396 HD2 PHE 50 2HD PHE 50 15.483 -2.634 -0.636 397 HE1 PHE 50 1HE PHE 50 19.466 -1.279 -3.187 398 HE2 PHE 50 2HE PHE 50 17.700 -2.706 0.419 399 HZ PHE 50 HZ PHE 50 19.696 -2.028 -0.854 400 H GLN 51 H GLN 51 12.780 -4.012 -2.753 401 HA GLN 51 HA GLN 51 14.341 -6.155 -1.652 402 1HB GLN 51 2HB GLN 51 12.303 -6.833 -0.513 403 2HB GLN 51 1HB GLN 51 12.510 -5.092 -0.379 404 1HG GLN 51 2HG GLN 51 10.833 -4.689 -2.032 405 2HG GLN 51 1HG GLN 51 10.735 -6.404 -2.425 406 1HE2 GLN 51 1HE2 GLN 51 10.971 -5.175 0.848 407 2HE2 GLN 51 2HE2 GLN 51 9.378 -5.629 1.332 408 H GLN 52 H GLN 52 12.542 -5.743 -4.518 409 HA GLN 52 HA GLN 52 11.741 -8.424 -4.990 410 1HB GLN 52 2HB GLN 52 10.850 -6.439 -6.224 411 2HB GLN 52 1HB GLN 52 12.404 -6.277 -7.028 412 1HG GLN 52 2HG GLN 52 10.853 -7.365 -8.503 413 2HG GLN 52 1HG GLN 52 12.094 -8.519 -8.018 414 1HE2 GLN 52 1HE2 GLN 52 8.745 -7.642 -7.778 415 2HE2 GLN 52 2HE2 GLN 52 8.192 -9.115 -7.062 416 H ILE 53 H ILE 53 14.753 -6.792 -5.112 417 HA ILE 53 HA ILE 53 16.090 -8.724 -6.794 418 HB ILE 53 HB ILE 53 17.313 -6.643 -4.963 419 1HG1 ILE 53 2HG1 ILE 53 16.676 -6.396 -7.917 420 2HG1 ILE 53 1HG1 ILE 53 15.718 -5.670 -6.632 421 1HG2 ILE 53 1HG2 ILE 53 18.883 -8.370 -5.662 422 2HG2 ILE 53 2HG2 ILE 53 19.264 -6.841 -6.456 423 3HG2 ILE 53 3HG2 ILE 53 18.438 -8.118 -7.351 424 1HD1 ILE 53 1HD1 ILE 53 17.618 -4.302 -5.974 425 2HD1 ILE 53 2HD1 ILE 53 17.210 -4.059 -7.672 426 3HD1 ILE 53 3HD1 ILE 53 18.601 -5.049 -7.234 427 HA PRO 54 HA PRO 54 16.069 -11.819 -3.551 428 1HB PRO 54 2HB PRO 54 18.465 -12.680 -5.147 429 2HB PRO 54 1HB PRO 54 17.141 -13.656 -4.493 430 1HG PRO 54 2HG PRO 54 17.147 -13.002 -7.058 431 2HG PRO 54 1HG PRO 54 15.635 -12.944 -6.130 432 1HD PRO 54 2HD PRO 54 17.371 -10.702 -7.071 433 2HD PRO 54 1HD PRO 54 15.606 -10.764 -6.885 434 H ALA 55 H ALA 55 19.402 -10.951 -4.570 435 HA ALA 55 HA ALA 55 20.232 -9.473 -2.412 436 1HB ALA 55 1HB ALA 55 21.396 -11.064 -0.932 437 2HB ALA 55 2HB ALA 55 20.721 -12.412 -1.849 438 3HB ALA 55 3HB ALA 55 19.655 -11.343 -0.937 439 H SER 56 H SER 56 21.108 -12.147 -4.524 440 HA SER 56 HA SER 56 23.894 -11.935 -4.364 441 1HB SER 56 2HB SER 56 22.301 -12.931 -6.739 442 2HB SER 56 1HB SER 56 23.936 -13.404 -6.272 443 HG SER 56 HG SER 56 22.173 -14.877 -5.658 444 H ASP 57 H ASP 57 21.563 -10.211 -6.334 445 HA ASP 57 HA ASP 57 23.579 -9.066 -8.062 446 1HB ASP 57 2HB ASP 57 20.612 -8.537 -7.786 447 2HB ASP 57 1HB ASP 57 21.645 -7.685 -8.927 448 H THR 58 H THR 58 24.761 -8.349 -6.079 449 HA THR 58 HA THR 58 23.885 -6.251 -4.441 450 HB THR 58 HB THR 58 26.748 -6.759 -5.295 451 HG1 THR 58 1HG THR 58 24.998 -8.230 -3.662 452 1HG2 THR 58 1HG2 THR 58 27.288 -5.952 -3.044 453 2HG2 THR 58 2HG2 THR 58 25.575 -5.696 -2.714 454 3HG2 THR 58 3HG2 THR 58 26.390 -4.730 -3.945 455 H GLN 59 H GLN 59 25.500 -6.284 -7.574 456 HA GLN 59 HA GLN 59 26.047 -3.540 -7.828 457 1HB GLN 59 2HB GLN 59 26.720 -5.628 -9.301 458 2HB GLN 59 1HB GLN 59 25.266 -5.228 -10.198 459 1HG GLN 59 2HG GLN 59 27.559 -3.329 -9.722 460 2HG GLN 59 1HG GLN 59 27.360 -4.312 -11.167 461 1HE2 GLN 59 1HE2 GLN 59 25.702 -3.807 -12.622 462 2HE2 GLN 59 2HE2 GLN 59 24.939 -2.255 -12.624 463 H GLN 60 H GLN 60 23.252 -5.468 -8.876 464 HA GLN 60 HA GLN 60 21.742 -3.372 -9.987 465 1HB GLN 60 2HB GLN 60 21.310 -5.797 -10.351 466 2HB GLN 60 1HB GLN 60 20.739 -5.925 -8.694 467 1HG GLN 60 2HG GLN 60 18.910 -4.395 -9.195 468 2HG GLN 60 1HG GLN 60 19.493 -4.224 -10.848 469 1HE2 GLN 60 1HE2 GLN 60 20.210 -7.064 -11.056 470 2HE2 GLN 60 2HE2 GLN 60 18.718 -7.914 -11.226 471 H LEU 61 H LEU 61 21.818 -4.764 -6.738 472 HA LEU 61 HA LEU 61 19.837 -3.234 -5.505 473 1HB LEU 61 2HB LEU 61 22.393 -4.443 -4.448 474 2HB LEU 61 1HB LEU 61 21.258 -3.609 -3.404 475 HG LEU 61 HG LEU 61 20.465 -5.988 -5.087 476 1HD1 LEU 61 1HD1 LEU 61 22.253 -6.683 -3.588 477 2HD1 LEU 61 2HD1 LEU 61 20.706 -7.340 -3.054 478 3HD1 LEU 61 3HD1 LEU 61 21.412 -5.955 -2.220 479 1HD2 LEU 61 1HD2 LEU 61 19.211 -4.688 -2.659 480 2HD2 LEU 61 2HD2 LEU 61 18.600 -6.114 -3.501 481 3HD2 LEU 61 3HD2 LEU 61 18.634 -4.554 -4.321 482 H ALA 62 H ALA 62 23.278 -2.551 -6.005 483 HA ALA 62 HA ALA 62 23.434 -0.184 -4.509 484 1HB ALA 62 1HB ALA 62 25.042 -0.960 -6.948 485 2HB ALA 62 2HB ALA 62 25.406 -1.418 -5.283 486 3HB ALA 62 3HB ALA 62 25.478 0.277 -5.766 487 H GLN 63 H GLN 63 22.676 -0.734 -7.924 488 HA GLN 63 HA GLN 63 22.503 1.980 -8.679 489 1HB GLN 63 2HB GLN 63 21.186 -0.467 -9.879 490 2HB GLN 63 1HB GLN 63 21.227 1.116 -10.643 491 1HG GLN 63 2HG GLN 63 23.616 -0.597 -9.970 492 2HG GLN 63 1HG GLN 63 22.928 -0.349 -11.574 493 1HE2 GLN 63 1HE2 GLN 63 24.788 1.073 -9.000 494 2HE2 GLN 63 2HE2 GLN 63 25.357 2.441 -9.887 495 H GLU 64 H GLU 64 19.958 -0.348 -7.763 496 HA GLU 64 HA GLU 64 17.788 1.428 -7.929 497 1HB GLU 64 2HB GLU 64 18.162 -0.975 -6.117 498 2HB GLU 64 1HB GLU 64 16.631 -0.159 -6.396 499 1HG GLU 64 2HG GLU 64 18.266 -1.521 -8.532 500 2HG GLU 64 1HG GLU 64 16.903 -2.248 -7.686 501 H ALA 65 H ALA 65 19.945 0.606 -5.260 502 HA ALA 65 HA ALA 65 18.717 2.103 -3.240 503 1HB ALA 65 1HB ALA 65 21.643 1.410 -3.538 504 2HB ALA 65 2HB ALA 65 20.413 0.406 -2.770 505 3HB ALA 65 3HB ALA 65 20.857 1.956 -2.055 506 H ARG 66 H ARG 66 21.255 2.969 -5.565 507 HA ARG 66 HA ARG 66 21.740 5.561 -4.569 508 1HB ARG 66 2HB ARG 66 23.334 4.544 -6.082 509 2HB ARG 66 1HB ARG 66 22.118 4.420 -7.351 510 1HG ARG 66 2HG ARG 66 21.992 6.883 -7.441 511 2HG ARG 66 1HG ARG 66 23.260 6.974 -6.219 512 1HD ARG 66 2HD ARG 66 24.847 5.952 -7.716 513 2HD ARG 66 1HD ARG 66 23.584 5.639 -8.909 514 HE ARG 66 HE ARG 66 23.513 8.347 -8.507 515 1HH1 ARG 66 1HH1 ARG 66 25.993 6.082 -9.517 516 2HH1 ARG 66 2HH1 ARG 66 26.817 7.245 -10.506 517 1HH2 ARG 66 1HH2 ARG 66 24.588 9.864 -9.813 518 2HH2 ARG 66 2HH2 ARG 66 26.025 9.402 -10.667 519 H ASN 67 H ASN 67 19.529 4.364 -7.079 520 HA ASN 67 HA ASN 67 18.579 6.845 -7.974 521 1HB ASN 67 2HB ASN 67 18.101 4.742 -9.162 522 2HB ASN 67 1HB ASN 67 17.082 4.210 -7.827 523 1HD2 ASN 67 1HD2 ASN 67 15.073 5.214 -7.501 524 2HD2 ASN 67 2HD2 ASN 67 14.312 6.161 -8.732 525 H ILE 68 H ILE 68 17.352 4.698 -5.435 526 HA ILE 68 HA ILE 68 15.188 6.358 -4.649 527 HB ILE 68 HB ILE 68 16.658 4.227 -3.065 528 1HG1 ILE 68 2HG1 ILE 68 14.114 4.045 -4.713 529 2HG1 ILE 68 1HG1 ILE 68 15.683 3.408 -5.192 530 1HG2 ILE 68 1HG2 ILE 68 15.389 5.685 -1.589 531 2HG2 ILE 68 2HG2 ILE 68 14.611 4.107 -1.699 532 3HG2 ILE 68 3HG2 ILE 68 13.948 5.479 -2.586 533 1HD1 ILE 68 1HD1 ILE 68 14.139 1.691 -4.335 534 2HD1 ILE 68 2HD1 ILE 68 14.140 2.501 -2.769 535 3HD1 ILE 68 3HD1 ILE 68 15.629 1.801 -3.404 536 H TYR 69 H TYR 69 18.512 6.003 -3.537 537 HA TYR 69 HA TYR 69 18.441 7.585 -1.244 538 1HB TYR 69 2HB TYR 69 20.337 6.106 -1.923 539 2HB TYR 69 1HB TYR 69 20.748 7.252 -3.190 540 HD1 TYR 69 1HD TYR 69 20.953 6.511 0.367 541 HD2 TYR 69 2HD TYR 69 21.680 9.481 -2.594 542 HE1 TYR 69 1HE TYR 69 22.401 7.724 1.941 543 HE2 TYR 69 2HE TYR 69 23.128 10.698 -1.030 544 HH TYR 69 HH TYR 69 24.286 9.352 1.840 545 H GLN 70 H GLN 70 19.579 8.525 -4.484 546 HA GLN 70 HA GLN 70 19.837 11.282 -3.680 547 1HB GLN 70 2HB GLN 70 20.284 9.945 -6.360 548 2HB GLN 70 1HB GLN 70 20.733 11.601 -5.964 549 1HG GLN 70 2HG GLN 70 22.318 10.824 -4.314 550 2HG GLN 70 1HG GLN 70 21.809 9.155 -4.559 551 1HE2 GLN 70 1HE2 GLN 70 24.455 10.277 -4.819 552 2HE2 GLN 70 2HE2 GLN 70 24.960 9.983 -6.448 553 H GLU 71 H GLU 71 17.097 9.944 -3.987 554 HA GLU 71 HA GLU 71 15.929 12.118 -5.587 555 1HB GLU 71 2HB GLU 71 15.904 9.936 -6.834 556 2HB GLU 71 1HB GLU 71 14.869 9.284 -5.571 557 1HG GLU 71 2HG GLU 71 13.146 10.905 -6.100 558 2HG GLU 71 1HG GLU 71 14.193 11.662 -7.300 559 H PHE 72 H PHE 72 15.523 9.773 -2.980 560 HA PHE 72 HA PHE 72 13.302 11.407 -1.914 561 1HB PHE 72 2HB PHE 72 13.902 8.483 -1.372 562 2HB PHE 72 1HB PHE 72 12.536 9.392 -0.738 563 HD1 PHE 72 1HD PHE 72 13.873 7.567 -3.570 564 HD2 PHE 72 2HD PHE 72 10.710 10.099 -2.255 565 HE1 PHE 72 1HE PHE 72 12.528 6.891 -5.515 566 HE2 PHE 72 2HE PHE 72 9.361 9.426 -4.199 567 HZ PHE 72 HZ PHE 72 10.269 7.819 -5.829 568 H LEU 73 H LEU 73 16.415 9.958 -1.210 569 HA LEU 73 HA LEU 73 16.068 10.561 1.659 570 1HB LEU 73 2HB LEU 73 17.815 8.443 0.397 571 2HB LEU 73 1HB LEU 73 17.512 8.666 2.113 572 HG LEU 73 HG LEU 73 15.421 7.878 0.070 573 1HD1 LEU 73 1HD1 LEU 73 16.797 6.200 2.164 574 2HD1 LEU 73 2HD1 LEU 73 17.041 6.091 0.421 575 3HD1 LEU 73 3HD1 LEU 73 15.475 5.677 1.119 576 1HD2 LEU 73 1HD2 LEU 73 14.480 9.148 1.922 577 2HD2 LEU 73 2HD2 LEU 73 15.263 8.074 3.080 578 3HD2 LEU 73 3HD2 LEU 73 13.998 7.455 2.018 579 H SER 74 H SER 74 17.451 11.968 -0.828 580 HA SER 74 HA SER 74 20.141 12.315 0.213 581 1HB SER 74 2HB SER 74 20.312 13.881 -1.798 582 2HB SER 74 1HB SER 74 20.013 12.184 -2.147 583 HG SER 74 HG SER 74 18.591 14.225 -2.939 584 H SER 75 H SER 75 20.831 14.818 -0.137 585 HA SER 75 HA SER 75 19.772 16.253 2.026 586 1HB SER 75 2HB SER 75 21.345 17.351 -0.324 587 2HB SER 75 1HB SER 75 21.190 18.087 1.271 588 HG SER 75 HG SER 75 22.714 15.907 0.444 589 H GLN 76 H GLN 76 17.560 16.282 1.724 590 HA GLN 76 HA GLN 76 15.699 17.609 1.547 591 1HB GLN 76 2HB GLN 76 17.241 19.544 0.971 592 2HB GLN 76 1HB GLN 76 17.042 19.112 -0.718 593 1HG GLN 76 2HG GLN 76 14.647 19.692 0.988 594 2HG GLN 76 1HG GLN 76 15.605 21.006 0.313 595 1HE2 GLN 76 1HE2 GLN 76 13.395 18.426 -0.370 596 2HE2 GLN 76 2HE2 GLN 76 13.089 18.849 -2.018 597 H ALA 77 H ALA 77 17.346 16.628 -1.392 598 HA ALA 77 HA ALA 77 16.789 15.183 -3.042 599 1HB ALA 77 1HB ALA 77 15.182 13.435 -2.552 600 2HB ALA 77 2HB ALA 77 14.553 14.361 -1.189 601 3HB ALA 77 3HB ALA 77 16.201 13.735 -1.146 602 H LEU 78 H LEU 78 14.661 14.316 -4.293 603 HA LEU 78 HA LEU 78 13.294 16.703 -5.257 604 1HB LEU 78 2HB LEU 78 13.255 13.832 -6.231 605 2HB LEU 78 1HB LEU 78 12.373 15.146 -6.987 606 HG LEU 78 HG LEU 78 14.606 16.273 -7.403 607 1HD1 LEU 78 1HD1 LEU 78 15.941 15.068 -5.754 608 2HD1 LEU 78 2HD1 LEU 78 16.608 14.877 -7.375 609 3HD1 LEU 78 3HD1 LEU 78 15.691 13.562 -6.639 610 1HD2 LEU 78 1HD2 LEU 78 14.133 13.586 -8.696 611 2HD2 LEU 78 2HD2 LEU 78 15.122 14.891 -9.352 612 3HD2 LEU 78 3HD2 LEU 78 13.384 15.114 -9.165 613 H SER 79 H SER 79 12.695 13.720 -3.554 614 HA SER 79 HA SER 79 10.078 14.729 -2.723 615 1HB SER 79 2HB SER 79 10.559 11.889 -3.682 616 2HB SER 79 1HB SER 79 9.041 12.530 -3.051 617 HG SER 79 HG SER 79 9.539 14.171 -4.912 618 HA PRO 80 HA PRO 80 12.675 13.336 0.839 619 1HB PRO 80 2HB PRO 80 11.870 15.309 2.534 620 2HB PRO 80 1HB PRO 80 13.174 15.526 1.361 621 1HG PRO 80 2HG PRO 80 10.295 16.351 1.163 622 2HG PRO 80 1HG PRO 80 11.753 17.267 0.732 623 1HD PRO 80 2HD PRO 80 10.242 15.996 -1.120 624 2HD PRO 80 1HD PRO 80 12.001 16.164 -1.289 625 H VAL 81 H VAL 81 11.437 11.465 1.122 626 HA VAL 81 HA VAL 81 8.800 11.542 2.250 627 HB VAL 81 HB VAL 81 9.016 9.099 2.462 628 1HG1 VAL 81 1HG1 VAL 81 9.249 8.598 0.072 629 2HG1 VAL 81 2HG1 VAL 81 9.980 10.183 -0.189 630 3HG1 VAL 81 3HG1 VAL 81 8.301 10.059 0.340 631 1HG2 VAL 81 1HG2 VAL 81 11.376 8.953 3.081 632 2HG2 VAL 81 2HG2 VAL 81 11.847 9.512 1.476 633 3HG2 VAL 81 3HG2 VAL 81 11.044 7.953 1.666 634 H ASN 82 H ASN 82 8.174 10.904 4.344 635 HA ASN 82 HA ASN 82 10.122 11.718 6.365 636 1HB ASN 82 2HB ASN 82 7.923 12.840 6.321 637 2HB ASN 82 1HB ASN 82 7.127 11.294 6.595 638 1HD2 ASN 82 1HD2 ASN 82 7.292 10.315 8.631 639 2HD2 ASN 82 2HD2 ASN 82 7.757 11.215 10.034 640 H ILE 83 H ILE 83 11.358 10.020 6.906 641 HA ILE 83 HA ILE 83 10.077 7.762 8.263 642 HB ILE 83 HB ILE 83 11.837 6.229 7.235 643 1HG1 ILE 83 2HG1 ILE 83 12.012 8.508 5.240 644 2HG1 ILE 83 1HG1 ILE 83 13.302 7.955 6.303 645 1HG2 ILE 83 1HG2 ILE 83 10.504 5.748 5.242 646 2HG2 ILE 83 2HG2 ILE 83 9.703 7.312 5.392 647 3HG2 ILE 83 3HG2 ILE 83 9.475 6.081 6.635 648 1HD1 ILE 83 1HD1 ILE 83 13.635 7.166 4.044 649 2HD1 ILE 83 2HD1 ILE 83 12.056 6.381 4.061 650 3HD1 ILE 83 3HD1 ILE 83 13.337 5.814 5.131 651 H ASP 84 H ASP 84 12.235 6.343 9.048 652 HA ASP 84 HA ASP 84 13.486 7.981 11.009 653 1HB ASP 84 2HB ASP 84 14.388 5.223 10.124 654 2HB ASP 84 1HB ASP 84 14.682 5.993 11.680 655 H ARG 85 H ARG 85 14.368 9.618 9.540 656 HA ARG 85 HA ARG 85 16.631 8.819 7.887 657 1HB ARG 85 2HB ARG 85 15.339 11.521 8.317 658 2HB ARG 85 1HB ARG 85 16.660 11.208 7.198 659 1HG ARG 85 2HG ARG 85 15.214 9.641 5.959 660 2HG ARG 85 1HG ARG 85 13.889 10.017 7.062 661 1HD ARG 85 2HD ARG 85 13.665 11.282 4.996 662 2HD ARG 85 1HD ARG 85 13.974 12.365 6.352 663 HE ARG 85 HE ARG 85 16.381 12.297 5.538 664 1HH1 ARG 85 1HH1 ARG 85 13.646 11.917 3.386 665 2HH1 ARG 85 2HH1 ARG 85 14.481 12.542 2.000 666 1HH2 ARG 85 1HH2 ARG 85 17.483 13.155 3.737 667 2HH2 ARG 85 2HH2 ARG 85 16.673 13.285 2.209 668 H GLN 86 H GLN 86 15.940 10.466 10.896 669 HA GLN 86 HA GLN 86 18.530 11.570 11.300 670 1HB GLN 86 2HB GLN 86 16.469 12.329 12.488 671 2HB GLN 86 1HB GLN 86 16.457 10.815 13.381 672 1HG GLN 86 2HG GLN 86 17.389 12.562 14.750 673 2HG GLN 86 1HG GLN 86 18.642 11.388 14.354 674 1HE2 GLN 86 1HE2 GLN 86 17.448 13.863 12.152 675 2HE2 GLN 86 2HE2 GLN 86 18.916 14.775 12.097 676 H ALA 87 H ALA 87 17.088 8.464 11.925 677 HA ALA 87 HA ALA 87 19.580 7.505 13.186 678 1HB ALA 87 1HB ALA 87 18.229 5.692 14.121 679 2HB ALA 87 2HB ALA 87 16.800 6.316 13.296 680 3HB ALA 87 3HB ALA 87 17.566 7.263 14.572 681 H TRP 88 H TRP 88 18.957 7.871 10.277 682 HA TRP 88 HA TRP 88 18.437 5.259 9.208 683 1HB TRP 88 2HB TRP 88 17.768 7.494 8.165 684 2HB TRP 88 1HB TRP 88 19.445 7.646 7.655 685 HD1 TRP 88 HD TRP 88 16.901 4.714 7.457 686 HE1 TRP 88 1HE TRP 88 16.952 3.782 5.060 687 HE3 TRP 88 3HE TRP 88 20.301 7.936 5.408 688 HZ2 TRP 88 2HZ TRP 88 18.245 4.350 2.636 689 HZ3 TRP 88 3HZ TRP 88 20.886 7.668 3.030 690 HH2 TRP 88 HH TRP 88 19.873 5.905 1.676 691 H LEU 89 H LEU 89 19.944 4.524 7.344 692 HA LEU 89 HA LEU 89 22.416 3.784 8.586 693 1HB LEU 89 2HB LEU 89 21.354 3.191 5.813 694 2HB LEU 89 1HB LEU 89 22.778 2.456 6.524 695 HG LEU 89 HG LEU 89 21.256 1.515 8.331 696 1HD1 LEU 89 1HD1 LEU 89 19.348 3.002 8.024 697 2HD1 LEU 89 2HD1 LEU 89 18.876 1.317 7.814 698 3HD1 LEU 89 3HD1 LEU 89 19.088 2.356 6.403 699 1HD2 LEU 89 1HD2 LEU 89 20.473 -0.329 6.920 700 2HD2 LEU 89 2HD2 LEU 89 22.124 0.142 6.521 701 3HD2 LEU 89 3HD2 LEU 89 20.789 0.638 5.478 702 H GLY 90 H GLY 90 21.533 5.647 5.690 703 1HA GLY 90 2HA GLY 90 22.626 7.503 4.811 704 2HA GLY 90 1HA GLY 90 23.932 7.254 5.960 705 H GLU 91 H GLU 91 25.632 7.334 4.595 706 HA GLU 91 HA GLU 91 25.783 6.201 2.035 707 1HB GLU 91 2HB GLU 91 28.244 6.499 2.237 708 2HB GLU 91 1HB GLU 91 27.330 7.939 2.652 709 1HG GLU 91 2HG GLU 91 28.381 6.027 4.729 710 2HG GLU 91 1HG GLU 91 29.321 7.386 4.116 711 H GLU 92 H GLU 92 25.771 4.656 5.030 712 HA GLU 92 HA GLU 92 27.490 2.481 4.645 713 1HB GLU 92 2HB GLU 92 26.479 2.977 6.816 714 2HB GLU 92 1HB GLU 92 24.875 2.659 6.171 715 1HG GLU 92 2HG GLU 92 25.507 0.305 5.811 716 2HG GLU 92 1HG GLU 92 27.090 0.639 6.514 717 H VAL 93 H VAL 93 24.314 3.226 3.444 718 HA VAL 93 HA VAL 93 23.585 0.658 2.552 719 HB VAL 93 HB VAL 93 22.736 3.347 1.450 720 1HG1 VAL 93 1HG1 VAL 93 20.782 2.158 0.569 721 2HG1 VAL 93 2HG1 VAL 93 21.444 0.631 1.149 722 3HG1 VAL 93 3HG1 VAL 93 22.278 1.529 -0.118 723 1HG2 VAL 93 1HG2 VAL 93 20.770 3.104 2.890 724 2HG2 VAL 93 2HG2 VAL 93 22.254 3.121 3.841 725 3HG2 VAL 93 3HG2 VAL 93 21.419 1.597 3.536 726 H LEU 94 H LEU 94 25.431 3.272 1.134 727 HA LEU 94 HA LEU 94 25.646 2.026 -1.461 728 1HB LEU 94 2HB LEU 94 27.060 4.415 -0.261 729 2HB LEU 94 1HB LEU 94 27.264 3.884 -1.918 730 HG LEU 94 HG LEU 94 25.773 5.736 -1.961 731 1HD1 LEU 94 1HD1 LEU 94 23.741 4.789 -2.912 732 2HD1 LEU 94 2HD1 LEU 94 24.130 3.218 -2.212 733 3HD1 LEU 94 3HD1 LEU 94 25.170 3.912 -3.458 734 1HD2 LEU 94 1HD2 LEU 94 24.117 4.331 0.137 735 2HD2 LEU 94 2HD2 LEU 94 23.694 5.841 -0.671 736 3HD2 LEU 94 3HD2 LEU 94 25.108 5.770 0.379 737 H ALA 95 H ALA 95 27.324 1.973 1.535 738 HA ALA 95 HA ALA 95 29.845 1.034 0.618 739 1HB ALA 95 1HB ALA 95 30.240 0.393 2.942 740 2HB ALA 95 2HB ALA 95 28.530 0.627 3.311 741 3HB ALA 95 3HB ALA 95 29.531 2.005 2.853 742 H GLU 96 H GLU 96 26.954 -0.621 1.872 743 HA GLU 96 HA GLU 96 27.537 -2.927 0.219 744 1HB GLU 96 2HB GLU 96 27.312 -4.517 2.166 745 2HB GLU 96 1HB GLU 96 28.809 -3.596 2.124 746 1HG GLU 96 2HG GLU 96 27.937 -2.075 3.827 747 2HG GLU 96 1HG GLU 96 26.415 -2.964 3.851 748 HA PRO 97 HA PRO 97 23.054 -2.191 0.484 749 1HB PRO 97 2HB PRO 97 22.453 -2.712 -2.063 750 2HB PRO 97 1HB PRO 97 23.287 -1.213 -1.623 751 1HG PRO 97 2HG PRO 97 24.438 -3.770 -2.706 752 2HG PRO 97 1HG PRO 97 24.764 -2.099 -3.218 753 1HD PRO 97 2HD PRO 97 26.390 -3.493 -1.503 754 2HD PRO 97 1HD PRO 97 26.237 -1.724 -1.478 755 H ARG 98 H ARG 98 21.326 -3.572 0.605 756 HA ARG 98 HA ARG 98 21.392 -6.247 -0.434 757 1HB ARG 98 2HB ARG 98 21.017 -7.321 1.802 758 2HB ARG 98 1HB ARG 98 22.639 -6.681 1.582 759 1HG ARG 98 2HG ARG 98 21.771 -4.600 2.821 760 2HG ARG 98 1HG ARG 98 20.419 -5.625 3.304 761 1HD ARG 98 2HD ARG 98 21.930 -7.200 4.349 762 2HD ARG 98 1HD ARG 98 23.329 -6.297 3.769 763 HE ARG 98 HE ARG 98 21.400 -5.256 5.754 764 1HH1 ARG 98 1HH1 ARG 98 24.655 -5.548 4.503 765 2HH1 ARG 98 2HH1 ARG 98 25.377 -4.632 5.780 766 1HH2 ARG 98 1HH2 ARG 98 22.339 -4.050 7.456 767 2HH2 ARG 98 2HH2 ARG 98 24.052 -3.763 7.463 768 HA PRO 99 HA PRO 99 17.176 -5.471 -0.981 769 1HB PRO 99 2HB PRO 99 15.944 -7.838 -0.293 770 2HB PRO 99 1HB PRO 99 16.825 -7.583 -1.801 771 1HG PRO 99 2HG PRO 99 17.774 -8.839 0.755 772 2HG PRO 99 1HG PRO 99 17.990 -9.403 -0.913 773 1HD PRO 99 2HD PRO 99 19.968 -8.147 0.349 774 2HD PRO 99 1HD PRO 99 19.645 -7.812 -1.368 775 H ASP 100 H ASP 100 18.208 -6.386 2.160 776 HA ASP 100 HA ASP 100 15.598 -5.872 3.379 777 1HB ASP 100 2HB ASP 100 18.193 -6.754 4.674 778 2HB ASP 100 1HB ASP 100 16.610 -6.703 5.445 779 H MET 101 H MET 101 18.096 -4.047 2.361 780 HA MET 101 HA MET 101 18.743 -2.393 4.550 781 1HB MET 101 2HB MET 101 19.509 -2.572 1.858 782 2HB MET 101 1HB MET 101 18.772 -0.987 1.984 783 1HG MET 101 2HG MET 101 21.121 -0.780 2.338 784 2HG MET 101 1HG MET 101 20.294 -0.470 3.864 785 1HE MET 101 1HE MET 101 22.782 -0.760 4.978 786 2HE MET 101 2HE MET 101 23.468 -1.202 3.415 787 3HE MET 101 3HE MET 101 23.731 -2.237 4.818 788 H PHE 102 H PHE 102 16.729 -1.527 1.738 789 HA PHE 102 HA PHE 102 15.492 0.619 3.236 790 1HB PHE 102 2HB PHE 102 15.111 -0.309 0.375 791 2HB PHE 102 1HB PHE 102 14.311 1.093 1.078 792 HD1 PHE 102 1HD PHE 102 15.834 1.475 -1.325 793 HD2 PHE 102 2HD PHE 102 17.197 1.399 2.715 794 HE1 PHE 102 1HE PHE 102 17.756 2.890 -1.937 795 HE2 PHE 102 2HE PHE 102 19.104 2.807 2.094 796 HZ PHE 102 HZ PHE 102 19.387 3.556 -0.231 797 H ARG 103 H ARG 103 14.953 -2.599 3.139 798 HA ARG 103 HA ARG 103 12.202 -2.908 2.708 799 1HB ARG 103 2HB ARG 103 13.926 -4.751 3.032 800 2HB ARG 103 1HB ARG 103 13.828 -4.434 4.759 801 1HG ARG 103 2HG ARG 103 11.292 -4.846 4.465 802 2HG ARG 103 1HG ARG 103 11.747 -5.587 2.930 803 1HD ARG 103 2HD ARG 103 11.668 -7.365 4.474 804 2HD ARG 103 1HD ARG 103 13.384 -7.005 4.277 805 HE ARG 103 HE ARG 103 11.898 -5.820 6.520 806 1HH1 ARG 103 1HH1 ARG 103 14.430 -7.969 5.374 807 2HH1 ARG 103 2HH1 ARG 103 15.070 -8.247 6.961 808 1HH2 ARG 103 1HH2 ARG 103 12.748 -6.206 8.604 809 2HH2 ARG 103 2HH2 ARG 103 14.131 -7.241 8.791 810 H ALA 104 H ALA 104 14.036 -2.076 5.608 811 HA ALA 104 HA ALA 104 11.906 -2.056 7.441 812 1HB ALA 104 1HB ALA 104 14.256 -2.082 8.127 813 2HB ALA 104 2HB ALA 104 13.393 -0.735 8.869 814 3HB ALA 104 3HB ALA 104 14.465 -0.448 7.497 815 H GLN 105 H GLN 105 13.346 0.544 5.495 816 HA GLN 105 HA GLN 105 11.628 2.591 6.440 817 1HB GLN 105 2HB GLN 105 13.309 2.383 3.933 818 2HB GLN 105 1HB GLN 105 12.392 3.820 4.356 819 1HG GLN 105 2HG GLN 105 14.619 4.208 5.029 820 2HG GLN 105 1HG GLN 105 13.694 3.915 6.498 821 1HE2 GLN 105 1HE2 GLN 105 14.121 2.094 7.718 822 2HE2 GLN 105 2HE2 GLN 105 15.515 1.099 7.450 823 H GLN 106 H GLN 106 11.398 0.249 3.869 824 HA GLN 106 HA GLN 106 9.377 1.326 2.295 825 1HB GLN 106 2HB GLN 106 10.634 -0.655 1.639 826 2HB GLN 106 1HB GLN 106 9.957 -1.565 2.981 827 1HG GLN 106 2HG GLN 106 7.734 -1.412 1.981 828 2HG GLN 106 1HG GLN 106 8.395 -0.470 0.645 829 1HE2 GLN 106 1HE2 GLN 106 7.007 -3.045 0.601 830 2HE2 GLN 106 2HE2 GLN 106 8.092 -4.146 -0.167 831 H LEU 107 H LEU 107 9.005 -1.068 4.919 832 HA LEU 107 HA LEU 107 6.169 -0.886 4.924 833 1HB LEU 107 2HB LEU 107 7.545 -2.838 5.746 834 2HB LEU 107 1HB LEU 107 7.927 -1.885 7.169 835 HG LEU 107 HG LEU 107 5.455 -1.750 7.639 836 1HD1 LEU 107 1HD1 LEU 107 4.620 -2.212 5.408 837 2HD1 LEU 107 2HD1 LEU 107 3.987 -3.385 6.562 838 3HD1 LEU 107 3HD1 LEU 107 5.297 -3.840 5.471 839 1HD2 LEU 107 1HD2 LEU 107 6.899 -3.309 8.844 840 2HD2 LEU 107 2HD2 LEU 107 6.680 -4.512 7.572 841 3HD2 LEU 107 3HD2 LEU 107 5.307 -4.016 8.564 842 H GLN 108 H GLN 108 8.701 0.909 6.454 843 HA GLN 108 HA GLN 108 7.242 2.009 8.605 844 1HB GLN 108 2HB GLN 108 9.759 2.044 8.289 845 2HB GLN 108 1HB GLN 108 9.522 3.342 7.129 846 1HG GLN 108 2HG GLN 108 10.125 4.337 9.192 847 2HG GLN 108 1HG GLN 108 8.411 4.657 8.943 848 1HE2 GLN 108 1HE2 GLN 108 10.059 4.578 11.391 849 2HE2 GLN 108 2HE2 GLN 108 9.261 3.467 12.449 850 H ILE 109 H ILE 109 8.012 3.355 5.384 851 HA ILE 109 HA ILE 109 6.529 5.716 5.586 852 HB ILE 109 HB ILE 109 8.154 4.837 3.722 853 1HG1 ILE 109 2HG1 ILE 109 7.295 6.546 2.146 854 2HG1 ILE 109 1HG1 ILE 109 5.777 6.581 3.035 855 1HG2 ILE 109 1HG2 ILE 109 5.526 4.110 2.471 856 2HG2 ILE 109 2HG2 ILE 109 6.789 2.983 2.956 857 3HG2 ILE 109 3HG2 ILE 109 7.092 4.138 1.658 858 1HD1 ILE 109 1HD1 ILE 109 6.949 7.445 4.994 859 2HD1 ILE 109 2HD1 ILE 109 7.173 8.483 3.586 860 3HD1 ILE 109 3HD1 ILE 109 8.469 7.403 4.100 861 H PHE 110 H PHE 110 5.696 2.538 4.461 862 HA PHE 110 HA PHE 110 3.050 2.775 3.746 863 1HB PHE 110 2HB PHE 110 4.228 0.668 3.538 864 2HB PHE 110 1HB PHE 110 4.396 0.529 5.277 865 HD1 PHE 110 1HD PHE 110 2.285 -0.072 2.423 866 HD2 PHE 110 2HD PHE 110 2.359 0.057 6.678 867 HE1 PHE 110 1HE PHE 110 0.194 -1.364 2.496 868 HE2 PHE 110 2HE PHE 110 0.268 -1.236 6.756 869 HZ PHE 110 HZ PHE 110 -0.820 -1.944 4.662 870 H ASN 111 H ASN 111 4.315 2.308 7.052 871 HA ASN 111 HA ASN 111 1.782 2.340 8.319 872 1HB ASN 111 2HB ASN 111 4.596 2.673 9.326 873 2HB ASN 111 1HB ASN 111 3.235 2.965 10.403 874 1HD2 ASN 111 1HD2 ASN 111 5.043 0.586 8.662 875 2HD2 ASN 111 2HD2 ASN 111 4.286 -0.800 9.358 876 H LEU 112 H LEU 112 4.058 4.914 7.518 877 HA LEU 112 HA LEU 112 2.895 6.984 9.013 878 1HB LEU 112 2HB LEU 112 4.582 6.884 6.545 879 2HB LEU 112 1HB LEU 112 3.792 8.398 6.935 880 HG LEU 112 HG LEU 112 6.103 8.344 7.751 881 1HD1 LEU 112 1HD1 LEU 112 4.073 8.314 9.985 882 2HD1 LEU 112 2HD1 LEU 112 4.456 9.688 8.948 883 3HD1 LEU 112 3HD1 LEU 112 5.677 9.049 10.047 884 1HD2 LEU 112 1HD2 LEU 112 6.751 6.862 9.591 885 2HD2 LEU 112 2HD2 LEU 112 6.334 5.949 8.142 886 3HD2 LEU 112 3HD2 LEU 112 5.193 6.041 9.484 887 H MET 113 H MET 113 2.451 6.366 5.528 888 HA MET 113 HA MET 113 0.250 8.154 5.335 889 1HB MET 113 2HB MET 113 -0.024 7.185 3.038 890 2HB MET 113 1HB MET 113 1.576 7.815 3.386 891 1HG MET 113 2HG MET 113 2.350 5.509 3.822 892 2HG MET 113 1HG MET 113 0.756 4.919 3.348 893 1HE MET 113 1HE MET 113 2.146 3.333 1.620 894 2HE MET 113 2HE MET 113 3.672 4.108 2.043 895 3HE MET 113 3HE MET 113 3.189 3.975 0.352 896 H LYS 114 H LYS 114 0.465 4.958 6.435 897 HA LYS 114 HA LYS 114 -2.033 3.886 5.743 898 1HB LYS 114 2HB LYS 114 -0.219 2.579 6.761 899 2HB LYS 114 1HB LYS 114 -0.399 3.474 8.261 900 1HG LYS 114 2HG LYS 114 -2.637 2.534 8.564 901 2HG LYS 114 1HG LYS 114 -2.481 1.660 7.038 902 1HD LYS 114 2HD LYS 114 -0.620 0.375 7.921 903 2HD LYS 114 1HD LYS 114 -0.651 1.305 9.420 904 1HE LYS 114 2HE LYS 114 -2.912 -0.431 8.421 905 2HE LYS 114 1HE LYS 114 -1.717 -0.930 9.617 906 1HZ LYS 114 1HZ LYS 114 -3.682 -0.200 10.729 907 2HZ LYS 114 2HZ LYS 114 -3.693 1.268 9.894 908 3HZ LYS 114 3HZ LYS 114 -2.466 0.941 11.017 909 H PHE 115 H PHE 115 -1.103 6.195 8.214 910 HA PHE 115 HA PHE 115 -3.852 6.222 9.285 911 1HB PHE 115 2HB PHE 115 -2.093 5.736 10.933 912 2HB PHE 115 1HB PHE 115 -1.258 7.223 10.503 913 HD1 PHE 115 1HD PHE 115 -1.571 9.059 11.869 914 HD2 PHE 115 2HD PHE 115 -4.628 6.095 11.675 915 HE1 PHE 115 1HE PHE 115 -2.852 10.270 13.584 916 HE2 PHE 115 2HE PHE 115 -5.911 7.303 13.392 917 HZ PHE 115 HZ PHE 115 -5.023 9.393 14.348 918 H ASP 116 H ASP 116 -2.328 7.697 6.930 919 HA ASP 116 HA ASP 116 -3.289 10.403 7.601 920 1HB ASP 116 2HB ASP 116 -0.646 9.595 6.389 921 2HB ASP 116 1HB ASP 116 -1.324 11.190 6.093 922 H SER 117 H SER 117 -1.729 9.207 4.666 923 HA SER 117 HA SER 117 -3.546 10.430 2.934 924 1HB SER 117 2HB SER 117 -1.790 8.028 2.352 925 2HB SER 117 1HB SER 117 -2.437 9.173 1.174 926 HG SER 117 HG SER 117 -1.204 10.811 2.237 927 H TYR 118 H TYR 118 -3.319 7.062 4.032 928 HA TYR 118 HA TYR 118 -5.510 6.066 2.571 929 1HB TYR 118 2HB TYR 118 -3.863 4.572 3.569 930 2HB TYR 118 1HB TYR 118 -4.308 5.112 5.184 931 HD1 TYR 118 1HD TYR 118 -6.117 3.812 2.168 932 HD2 TYR 118 2HD TYR 118 -5.549 3.562 6.382 933 HE1 TYR 118 1HE TYR 118 -7.776 2.002 2.279 934 HE2 TYR 118 2HE TYR 118 -7.210 1.755 6.502 935 HH TYR 118 HH TYR 118 -8.443 0.205 3.669 936 H ALA 119 H ALA 119 -5.237 7.322 5.878 937 HA ALA 119 HA ALA 119 -7.843 6.844 6.738 938 1HB ALA 119 1HB ALA 119 -7.455 8.590 8.404 939 2HB ALA 119 2HB ALA 119 -6.052 9.156 7.497 940 3HB ALA 119 3HB ALA 119 -6.038 7.554 8.234 941 H ARG 120 H ARG 120 -6.508 9.604 4.970 942 HA ARG 120 HA ARG 120 -9.000 11.038 4.925 943 1HB ARG 120 2HB ARG 120 -6.817 12.196 4.847 944 2HB ARG 120 1HB ARG 120 -6.485 11.453 3.287 945 1HG ARG 120 2HG ARG 120 -8.460 12.618 2.351 946 2HG ARG 120 1HG ARG 120 -8.690 13.418 3.908 947 1HD ARG 120 2HD ARG 120 -6.450 14.424 3.699 948 2HD ARG 120 1HD ARG 120 -6.261 13.650 2.124 949 HE ARG 120 HE ARG 120 -8.555 15.421 2.501 950 1HH1 ARG 120 1HH1 ARG 120 -5.371 14.930 1.130 951 2HH1 ARG 120 2HH1 ARG 120 -5.494 16.266 0.032 952 1HH2 ARG 120 1HH2 ARG 120 -8.726 17.173 1.076 953 2HH2 ARG 120 2HH2 ARG 120 -7.411 17.548 0.005 954 H PHE 121 H PHE 121 -7.314 8.812 2.802 955 HA PHE 121 HA PHE 121 -8.612 9.432 0.403 956 1HB PHE 121 2HB PHE 121 -6.566 8.073 0.494 957 2HB PHE 121 1HB PHE 121 -7.460 6.767 1.268 958 HD1 PHE 121 1HD PHE 121 -8.263 5.054 -0.069 959 HD2 PHE 121 2HD PHE 121 -7.583 8.886 -1.810 960 HE1 PHE 121 1HE PHE 121 -8.847 4.151 -2.282 961 HE2 PHE 121 2HE PHE 121 -8.167 7.984 -4.022 962 HZ PHE 121 HZ PHE 121 -8.800 5.618 -4.261 963 H VAL 122 H VAL 122 -9.507 7.139 2.964 964 HA VAL 122 HA VAL 122 -11.781 6.174 1.474 965 HB VAL 122 HB VAL 122 -12.395 4.962 3.539 966 1HG1 VAL 122 1HG1 VAL 122 -9.483 4.702 2.769 967 2HG1 VAL 122 2HG1 VAL 122 -10.849 3.945 1.950 968 3HG1 VAL 122 3HG1 VAL 122 -10.441 3.476 3.600 969 1HG2 VAL 122 1HG2 VAL 122 -9.969 6.313 4.737 970 2HG2 VAL 122 2HG2 VAL 122 -10.892 5.009 5.486 971 3HG2 VAL 122 3HG2 VAL 122 -11.650 6.579 5.207 972 H LYS 123 H LYS 123 -11.200 9.007 3.128 973 HA LYS 123 HA LYS 123 -14.087 9.463 3.584 974 1HB LYS 123 2HB LYS 123 -11.724 10.875 4.869 975 2HB LYS 123 1HB LYS 123 -13.418 11.246 5.166 976 1HG LYS 123 2HG LYS 123 -13.723 8.970 6.087 977 2HG LYS 123 1HG LYS 123 -12.001 8.672 5.855 978 1HD LYS 123 2HD LYS 123 -13.202 10.820 7.619 979 2HD LYS 123 1HD LYS 123 -12.518 9.294 8.179 980 1HE LYS 123 2HE LYS 123 -10.333 9.972 7.203 981 2HE LYS 123 1HE LYS 123 -11.040 11.531 6.782 982 1HZ LYS 123 1HZ LYS 123 -9.787 11.609 8.861 983 2HZ LYS 123 2HZ LYS 123 -10.807 10.448 9.541 984 3HZ LYS 123 3HZ LYS 123 -11.418 11.966 9.120 985 H SER 124 H SER 124 -11.850 9.889 1.344 986 HA SER 124 HA SER 124 -11.731 12.658 0.834 987 1HB SER 124 2HB SER 124 -10.773 12.022 -1.317 988 2HB SER 124 1HB SER 124 -10.121 10.975 -0.058 989 HG SER 124 HG SER 124 -10.956 9.329 -1.053 990 HA PRO 125 HA PRO 125 -15.501 13.322 -1.574 991 1HB PRO 125 2HB PRO 125 -14.713 15.404 -3.110 992 2HB PRO 125 1HB PRO 125 -15.018 15.590 -1.378 993 1HG PRO 125 2HG PRO 125 -12.403 15.238 -2.809 994 2HG PRO 125 1HG PRO 125 -12.822 16.380 -1.516 995 1HD PRO 125 2HD PRO 125 -11.490 14.056 -1.052 996 2HD PRO 125 1HD PRO 125 -12.587 14.786 0.137 997 H LEU 126 H LEU 126 -13.754 11.213 -2.383 998 HA LEU 126 HA LEU 126 -14.233 11.216 -5.271 999 1HB LEU 126 2HB LEU 126 -11.826 11.821 -4.771 1000 2HB LEU 126 1HB LEU 126 -11.645 10.253 -4.015 1001 HG LEU 126 HG LEU 126 -12.451 10.528 -6.913 1002 1HD1 LEU 126 1HD1 LEU 126 -10.346 11.734 -6.605 1003 2HD1 LEU 126 2HD1 LEU 126 -10.099 10.240 -7.509 1004 3HD1 LEU 126 3HD1 LEU 126 -9.647 10.325 -5.805 1005 1HD2 LEU 126 1HD2 LEU 126 -11.506 8.268 -7.081 1006 2HD2 LEU 126 2HD2 LEU 126 -12.810 8.331 -5.899 1007 3HD2 LEU 126 3HD2 LEU 126 -11.133 8.292 -5.357 1008 H TYR 127 H TYR 127 -13.000 9.268 -2.554 1009 HA TYR 127 HA TYR 127 -13.696 6.737 -3.390 1010 1HB TYR 127 2HB TYR 127 -12.367 7.208 -1.376 1011 2HB TYR 127 1HB TYR 127 -13.787 7.863 -0.574 1012 HD1 TYR 127 1HD TYR 127 -15.186 6.451 0.692 1013 HD2 TYR 127 2HD TYR 127 -12.409 4.730 -2.044 1014 HE1 TYR 127 1HE TYR 127 -15.686 4.220 1.594 1015 HE2 TYR 127 2HE TYR 127 -12.905 2.498 -1.150 1016 HH TYR 127 HH TYR 127 -13.785 1.489 0.914 1017 H ARG 128 H ARG 128 -15.689 9.080 -1.646 1018 HA ARG 128 HA ARG 128 -18.005 7.617 -1.222 1019 1HB ARG 128 2HB ARG 128 -19.172 9.799 -1.206 1020 2HB ARG 128 1HB ARG 128 -17.652 9.876 -0.320 1021 1HG ARG 128 2HG ARG 128 -16.575 11.051 -2.086 1022 2HG ARG 128 1HG ARG 128 -17.911 10.744 -3.192 1023 1HD ARG 128 2HD ARG 128 -19.358 12.122 -1.660 1024 2HD ARG 128 1HD ARG 128 -17.885 12.570 -0.795 1025 HE ARG 128 HE ARG 128 -17.409 13.106 -3.475 1026 1HH1 ARG 128 1HH1 ARG 128 -19.680 14.186 -1.042 1027 2HH1 ARG 128 2HH1 ARG 128 -19.865 15.767 -1.740 1028 1HH2 ARG 128 1HH2 ARG 128 -17.636 15.167 -4.390 1029 2HH2 ARG 128 2HH2 ARG 128 -18.683 16.333 -3.638 1030 H GLU 129 H GLU 129 -16.946 9.306 -4.144 1031 HA GLU 129 HA GLU 129 -19.503 8.984 -5.451 1032 1HB GLU 129 2HB GLU 129 -16.878 10.196 -6.344 1033 2HB GLU 129 1HB GLU 129 -18.313 10.128 -7.364 1034 1HG GLU 129 2HG GLU 129 -19.541 11.527 -5.879 1035 2HG GLU 129 1HG GLU 129 -18.287 11.429 -4.648 1036 H CYS 130 H CYS 130 -16.362 7.443 -5.482 1037 HA CYS 130 HA CYS 130 -16.856 5.759 -7.721 1038 1HB CYS 130 2HB CYS 130 -15.060 5.326 -5.316 1039 2HB CYS 130 1HB CYS 130 -15.027 4.364 -6.792 1040 HG CYS 130 HG CYS 130 -14.701 7.236 -8.003 1041 H LEU 131 H LEU 131 -17.915 5.816 -4.461 1042 HA LEU 131 HA LEU 131 -18.994 3.116 -4.528 1043 1HB LEU 131 2HB LEU 131 -18.652 5.235 -2.474 1044 2HB LEU 131 1HB LEU 131 -20.030 4.181 -2.261 1045 HG LEU 131 HG LEU 131 -18.506 2.219 -2.281 1046 1HD1 LEU 131 1HD1 LEU 131 -16.094 2.559 -2.082 1047 2HD1 LEU 131 2HD1 LEU 131 -16.311 4.290 -2.342 1048 3HD1 LEU 131 3HD1 LEU 131 -16.702 3.150 -3.629 1049 1HD2 LEU 131 1HD2 LEU 131 -19.186 3.221 -0.165 1050 2HD2 LEU 131 2HD2 LEU 131 -17.819 4.334 -0.238 1051 3HD2 LEU 131 3HD2 LEU 131 -17.539 2.601 -0.066 1052 H LEU 132 H LEU 132 -20.645 6.042 -3.396 1053 HA LEU 132 HA LEU 132 -22.768 5.740 -5.368 1054 1HB LEU 132 2HB LEU 132 -23.232 5.385 -2.397 1055 2HB LEU 132 1HB LEU 132 -24.517 5.692 -3.549 1056 HG LEU 132 HG LEU 132 -22.718 3.257 -3.571 1057 1HD1 LEU 132 1HD1 LEU 132 -24.711 2.032 -2.830 1058 2HD1 LEU 132 2HD1 LEU 132 -25.587 3.556 -2.680 1059 3HD1 LEU 132 3HD1 LEU 132 -24.198 3.230 -1.643 1060 1HD2 LEU 132 1HD2 LEU 132 -25.167 3.923 -5.212 1061 2HD2 LEU 132 2HD2 LEU 132 -24.304 2.385 -5.226 1062 3HD2 LEU 132 3HD2 LEU 132 -23.506 3.847 -5.802 1063 H ALA 133 H ALA 133 -21.771 7.331 -2.360 1064 HA ALA 133 HA ALA 133 -21.590 9.499 -1.741 1065 1HB ALA 133 1HB ALA 133 -21.413 11.245 -3.419 1066 2HB ALA 133 2HB ALA 133 -22.057 10.157 -4.649 1067 3HB ALA 133 3HB ALA 133 -20.491 9.824 -3.910 1068 H GLU 134 H GLU 134 -24.377 8.105 -2.563 1069 HA GLU 134 HA GLU 134 -26.076 10.455 -2.475 1070 1HB GLU 134 2HB GLU 134 -26.760 7.506 -2.568 1071 2HB GLU 134 1HB GLU 134 -27.949 8.803 -2.579 1072 1HG GLU 134 2HG GLU 134 -26.852 9.665 -4.667 1073 2HG GLU 134 1HG GLU 134 -25.880 8.196 -4.684 1074 H ALA 135 H ALA 135 -25.946 7.455 -0.510 1075 HA ALA 135 HA ALA 135 -26.302 9.043 1.911 1076 1HB ALA 135 1HB ALA 135 -28.295 6.918 1.115 1077 2HB ALA 135 2HB ALA 135 -28.589 8.658 1.116 1078 3HB ALA 135 3HB ALA 135 -28.280 7.815 2.634 1079 H GLU 136 H GLU 136 -26.223 5.725 0.604 1080 HA GLU 136 HA GLU 136 -25.533 4.376 2.909 1081 1HB GLU 136 2HB GLU 136 -26.162 3.339 0.720 1082 2HB GLU 136 1HB GLU 136 -24.543 3.696 0.131 1083 1HG GLU 136 2HG GLU 136 -23.556 2.211 1.726 1084 2HG GLU 136 1HG GLU 136 -25.098 1.992 2.553 Start of MODEL 4 1 1H SER 1 1HT SER 1 -3.615 -13.865 -6.471 2 2H SER 1 2HT SER 1 -3.578 -13.002 -5.019 3 3H SER 1 3HT SER 1 -4.546 -12.465 -6.294 4 HA SER 1 HA SER 1 -4.895 -14.972 -4.774 5 1HB SER 1 2HB SER 1 -7.043 -13.815 -4.063 6 2HB SER 1 1HB SER 1 -5.562 -13.109 -3.416 7 HG SER 1 HG SER 1 -6.950 -11.498 -4.218 8 H MET 2 H MET 2 -7.253 -15.746 -5.206 9 HA MET 2 HA MET 2 -7.446 -16.415 -7.951 10 1HB MET 2 2HB MET 2 -9.512 -17.577 -7.331 11 2HB MET 2 1HB MET 2 -8.230 -17.921 -6.182 12 1HG MET 2 2HG MET 2 -9.204 -16.264 -4.634 13 2HG MET 2 1HG MET 2 -10.521 -16.002 -5.779 14 1HE MET 2 1HE MET 2 -12.258 -17.990 -2.869 15 2HE MET 2 2HE MET 2 -12.285 -16.522 -3.847 16 3HE MET 2 3HE MET 2 -10.969 -16.796 -2.705 17 H THR 3 H THR 3 -9.495 -16.120 -9.224 18 HA THR 3 HA THR 3 -9.884 -13.397 -9.757 19 HB THR 3 HB THR 3 -11.800 -15.589 -10.591 20 HG1 THR 3 1HG THR 3 -9.327 -14.885 -11.839 21 1HG2 THR 3 1HG2 THR 3 -12.409 -13.284 -11.213 22 2HG2 THR 3 2HG2 THR 3 -11.996 -14.245 -12.631 23 3HG2 THR 3 3HG2 THR 3 -10.838 -13.081 -11.990 24 H GLU 4 H GLU 4 -11.666 -12.033 -9.416 25 HA GLU 4 HA GLU 4 -12.622 -10.881 -7.700 26 1HB GLU 4 2HB GLU 4 -15.013 -11.551 -7.374 27 2HB GLU 4 1HB GLU 4 -14.483 -11.243 -9.008 28 1HG GLU 4 2HG GLU 4 -14.600 -14.039 -7.946 29 2HG GLU 4 1HG GLU 4 -16.055 -13.236 -8.532 30 H GLU 5 H GLU 5 -11.360 -11.139 -6.025 31 HA GLU 5 HA GLU 5 -11.882 -13.187 -4.026 32 1HB GLU 5 2HB GLU 5 -9.566 -12.545 -4.361 33 2HB GLU 5 1HB GLU 5 -9.948 -10.853 -4.074 34 1HG GLU 5 2HG GLU 5 -10.456 -11.315 -1.755 35 2HG GLU 5 1HG GLU 5 -10.221 -13.043 -2.017 36 H GLN 6 H GLN 6 -11.876 -9.631 -4.122 37 HA GLN 6 HA GLN 6 -14.423 -9.462 -2.828 38 1HB GLN 6 2HB GLN 6 -12.836 -9.878 -0.909 39 2HB GLN 6 1HB GLN 6 -12.011 -8.383 -1.330 40 1HG GLN 6 2HG GLN 6 -13.999 -7.100 -0.840 41 2HG GLN 6 1HG GLN 6 -14.916 -8.575 -0.544 42 1HE2 GLN 6 1HE2 GLN 6 -15.441 -7.920 1.543 43 2HE2 GLN 6 2HE2 GLN 6 -14.285 -7.926 2.828 44 HA PRO 7 HA PRO 7 -14.583 -5.970 -5.537 45 1HB PRO 7 2HB PRO 7 -16.144 -4.294 -3.887 46 2HB PRO 7 1HB PRO 7 -16.743 -5.447 -5.080 47 1HG PRO 7 2HG PRO 7 -16.438 -5.756 -2.128 48 2HG PRO 7 1HG PRO 7 -17.700 -6.389 -3.202 49 1HD PRO 7 2HD PRO 7 -15.785 -7.989 -2.254 50 2HD PRO 7 1HD PRO 7 -16.365 -8.164 -3.925 51 H VAL 8 H VAL 8 -14.150 -3.613 -5.646 52 HA VAL 8 HA VAL 8 -11.610 -3.068 -4.570 53 HB VAL 8 HB VAL 8 -11.807 -0.836 -5.559 54 1HG1 VAL 8 1HG1 VAL 8 -11.209 -2.704 -7.007 55 2HG1 VAL 8 2HG1 VAL 8 -12.160 -1.510 -7.890 56 3HG1 VAL 8 3HG1 VAL 8 -12.915 -3.009 -7.344 57 1HG2 VAL 8 1HG2 VAL 8 -13.864 -0.154 -6.730 58 2HG2 VAL 8 2HG2 VAL 8 -14.118 -0.320 -4.992 59 3HG2 VAL 8 3HG2 VAL 8 -14.690 -1.578 -6.091 60 H ALA 9 H ALA 9 -14.707 -2.585 -3.207 61 HA ALA 9 HA ALA 9 -14.290 -0.338 -1.586 62 1HB ALA 9 1HB ALA 9 -16.104 -1.204 -0.196 63 2HB ALA 9 2HB ALA 9 -15.969 -2.778 -0.982 64 3HB ALA 9 3HB ALA 9 -16.490 -1.372 -1.910 65 H SER 10 H SER 10 -12.916 -3.461 -1.468 66 HA SER 10 HA SER 10 -12.324 -3.857 1.204 67 1HB SER 10 2HB SER 10 -10.569 -4.514 -1.180 68 2HB SER 10 1HB SER 10 -10.482 -5.265 0.418 69 HG SER 10 HG SER 10 -12.169 -5.785 -1.654 70 H TRP 11 H TRP 11 -11.032 -1.476 -0.968 71 HA TRP 11 HA TRP 11 -8.576 -0.874 0.189 72 1HB TRP 11 2HB TRP 11 -10.608 1.137 -0.813 73 2HB TRP 11 1HB TRP 11 -8.889 1.423 -0.603 74 HD1 TRP 11 HD TRP 11 -8.292 -1.589 -2.145 75 HE1 TRP 11 1HE TRP 11 -8.334 -1.487 -4.726 76 HE3 TRP 11 3HE TRP 11 -10.850 2.774 -2.721 77 HZ2 TRP 11 2HZ TRP 11 -9.339 0.250 -6.738 78 HZ3 TRP 11 3HZ TRP 11 -11.318 3.610 -4.968 79 HH2 TRP 11 HH TRP 11 -10.576 2.368 -6.956 80 H ALA 12 H ALA 12 -11.839 0.049 1.148 81 HA ALA 12 HA ALA 12 -10.911 1.800 3.263 82 1HB ALA 12 1HB ALA 12 -12.885 2.399 1.944 83 2HB ALA 12 2HB ALA 12 -13.283 2.236 3.654 84 3HB ALA 12 3HB ALA 12 -13.714 0.954 2.522 85 H LEU 13 H LEU 13 -11.032 -1.432 3.039 86 HA LEU 13 HA LEU 13 -12.002 -1.883 5.772 87 1HB LEU 13 2HB LEU 13 -11.241 -3.865 3.616 88 2HB LEU 13 1HB LEU 13 -11.852 -4.286 5.206 89 HG LEU 13 HG LEU 13 -13.375 -2.800 3.054 90 1HD1 LEU 13 1HD1 LEU 13 -14.762 -4.806 2.952 91 2HD1 LEU 13 2HD1 LEU 13 -13.732 -5.594 4.148 92 3HD1 LEU 13 3HD1 LEU 13 -13.082 -5.175 2.563 93 1HD2 LEU 13 1HD2 LEU 13 -14.029 -2.012 5.263 94 2HD2 LEU 13 2HD2 LEU 13 -14.262 -3.672 5.810 95 3HD2 LEU 13 3HD2 LEU 13 -15.309 -3.000 4.560 96 H SER 14 H SER 14 -9.124 -1.932 3.783 97 HA SER 14 HA SER 14 -7.433 -2.144 6.115 98 1HB SER 14 2HB SER 14 -7.266 -4.272 3.960 99 2HB SER 14 1HB SER 14 -6.236 -4.142 5.385 100 HG SER 14 HG SER 14 -8.501 -4.222 6.467 101 H PHE 15 H PHE 15 -5.473 -1.158 5.779 102 HA PHE 15 HA PHE 15 -5.317 0.522 3.477 103 1HB PHE 15 2HB PHE 15 -4.630 1.377 5.648 104 2HB PHE 15 1HB PHE 15 -3.378 0.144 5.773 105 HD1 PHE 15 1HD PHE 15 -1.294 1.136 5.644 106 HD2 PHE 15 2HD PHE 15 -4.375 2.496 3.036 107 HE1 PHE 15 1HE PHE 15 0.304 2.649 4.547 108 HE2 PHE 15 2HE PHE 15 -2.781 4.012 1.939 109 HZ PHE 15 HZ PHE 15 -0.441 4.091 2.693 110 H GLU 16 H GLU 16 -3.206 -2.107 4.691 111 HA GLU 16 HA GLU 16 -1.325 -1.980 2.652 112 1HB GLU 16 2HB GLU 16 -0.505 -4.065 3.378 113 2HB GLU 16 1HB GLU 16 -1.164 -3.306 4.814 114 1HG GLU 16 2HG GLU 16 -2.395 -5.530 3.202 115 2HG GLU 16 1HG GLU 16 -1.711 -5.635 4.820 116 H ARG 17 H ARG 17 -4.473 -3.497 2.752 117 HA ARG 17 HA ARG 17 -4.298 -5.009 0.374 118 1HB ARG 17 2HB ARG 17 -6.095 -5.136 2.182 119 2HB ARG 17 1HB ARG 17 -6.796 -3.693 1.469 120 1HG ARG 17 2HG ARG 17 -7.958 -5.673 0.699 121 2HG ARG 17 1HG ARG 17 -7.119 -4.898 -0.647 122 1HD ARG 17 2HD ARG 17 -6.897 -7.369 -0.650 123 2HD ARG 17 1HD ARG 17 -5.347 -6.534 -0.556 124 HE ARG 17 HE ARG 17 -6.155 -7.079 2.057 125 1HH1 ARG 17 1HH1 ARG 17 -5.298 -8.906 -0.811 126 2HH1 ARG 17 2HH1 ARG 17 -4.602 -10.218 0.087 127 1HH2 ARG 17 1HH2 ARG 17 -5.252 -8.821 3.234 128 2HH2 ARG 17 2HH2 ARG 17 -4.588 -10.176 2.379 129 H LEU 18 H LEU 18 -5.565 -1.753 1.027 130 HA LEU 18 HA LEU 18 -6.102 -0.925 -1.590 131 1HB LEU 18 2HB LEU 18 -6.866 0.459 0.173 132 2HB LEU 18 1HB LEU 18 -5.281 0.531 0.917 133 HG LEU 18 HG LEU 18 -4.514 1.906 -1.065 134 1HD1 LEU 18 1HD1 LEU 18 -6.195 3.014 -2.418 135 2HD1 LEU 18 2HD1 LEU 18 -7.469 2.083 -1.630 136 3HD1 LEU 18 3HD1 LEU 18 -6.270 1.265 -2.634 137 1HD2 LEU 18 1HD2 LEU 18 -5.527 3.979 -0.246 138 2HD2 LEU 18 2HD2 LEU 18 -5.010 2.933 1.076 139 3HD2 LEU 18 3HD2 LEU 18 -6.720 3.039 0.655 140 H LEU 19 H LEU 19 -3.150 -0.830 0.296 141 HA LEU 19 HA LEU 19 -1.711 0.778 -1.587 142 1HB LEU 19 2HB LEU 19 -1.459 0.797 0.921 143 2HB LEU 19 1HB LEU 19 -0.646 -0.748 0.791 144 HG LEU 19 HG LEU 19 1.149 0.255 -0.487 145 1HD1 LEU 19 1HD1 LEU 19 -0.402 2.836 -0.216 146 2HD1 LEU 19 2HD1 LEU 19 -0.094 1.949 -1.710 147 3HD1 LEU 19 3HD1 LEU 19 1.244 2.697 -0.840 148 1HD2 LEU 19 1HD2 LEU 19 0.509 1.828 2.003 149 2HD2 LEU 19 2HD2 LEU 19 2.094 1.718 1.237 150 3HD2 LEU 19 3HD2 LEU 19 1.348 0.279 1.928 151 H GLN 20 H GLN 20 -2.268 -2.572 -1.212 152 HA GLN 20 HA GLN 20 0.068 -3.273 -2.849 153 1HB GLN 20 2HB GLN 20 -0.417 -4.641 -0.833 154 2HB GLN 20 1HB GLN 20 -1.967 -5.089 -1.529 155 1HG GLN 20 2HG GLN 20 -0.642 -6.920 -2.002 156 2HG GLN 20 1HG GLN 20 -0.583 -6.003 -3.501 157 1HE2 GLN 20 1HE2 GLN 20 1.347 -4.031 -2.356 158 2HE2 GLN 20 2HE2 GLN 20 2.865 -4.856 -2.308 159 H ASP 21 H ASP 21 -3.372 -2.871 -3.034 160 HA ASP 21 HA ASP 21 -3.829 -4.443 -5.364 161 1HB ASP 21 2HB ASP 21 -5.635 -3.778 -3.786 162 2HB ASP 21 1HB ASP 21 -5.447 -2.104 -4.301 163 HA PRO 22 HA PRO 22 -1.867 -1.887 -8.414 164 1HB PRO 22 2HB PRO 22 -4.062 -2.862 -10.193 165 2HB PRO 22 1HB PRO 22 -2.311 -2.910 -10.437 166 1HG PRO 22 2HG PRO 22 -3.640 -5.119 -9.778 167 2HG PRO 22 1HG PRO 22 -2.042 -4.783 -9.081 168 1HD PRO 22 2HD PRO 22 -4.756 -4.492 -7.842 169 2HD PRO 22 1HD PRO 22 -3.237 -5.058 -7.114 170 H LEU 23 H LEU 23 -5.439 -1.887 -8.623 171 HA LEU 23 HA LEU 23 -5.536 0.736 -9.759 172 1HB LEU 23 2HB LEU 23 -7.706 -0.954 -8.496 173 2HB LEU 23 1HB LEU 23 -7.992 0.566 -9.323 174 HG LEU 23 HG LEU 23 -6.892 -1.954 -10.584 175 1HD1 LEU 23 1HD1 LEU 23 -9.011 -2.002 -11.803 176 2HD1 LEU 23 2HD1 LEU 23 -9.571 -0.598 -10.893 177 3HD1 LEU 23 3HD1 LEU 23 -9.265 -2.123 -10.061 178 1HD2 LEU 23 1HD2 LEU 23 -5.927 0.015 -11.630 179 2HD2 LEU 23 2HD2 LEU 23 -7.530 0.728 -11.819 180 3HD2 LEU 23 3HD2 LEU 23 -7.105 -0.734 -12.709 181 H GLY 24 H GLY 24 -5.943 -0.627 -6.552 182 1HA GLY 24 2HA GLY 24 -6.842 1.617 -5.167 183 2HA GLY 24 1HA GLY 24 -5.882 0.317 -4.475 184 H LEU 25 H LEU 25 -3.494 0.452 -5.403 185 HA LEU 25 HA LEU 25 -2.294 2.634 -4.143 186 1HB LEU 25 2HB LEU 25 -1.404 0.246 -5.066 187 2HB LEU 25 1HB LEU 25 -0.766 1.293 -6.316 188 HG LEU 25 HG LEU 25 -0.119 1.321 -3.368 189 1HD1 LEU 25 1HD1 LEU 25 2.167 0.959 -4.149 190 2HD1 LEU 25 2HD1 LEU 25 1.599 0.946 -5.819 191 3HD1 LEU 25 3HD1 LEU 25 1.081 -0.317 -4.700 192 1HD2 LEU 25 1HD2 LEU 25 1.365 3.238 -3.815 193 2HD2 LEU 25 2HD2 LEU 25 -0.338 3.641 -4.017 194 3HD2 LEU 25 3HD2 LEU 25 0.678 3.374 -5.436 195 H ALA 26 H ALA 26 -3.041 2.047 -7.554 196 HA ALA 26 HA ALA 26 -1.625 4.173 -8.684 197 1HB ALA 26 1HB ALA 26 -2.595 2.355 -10.003 198 2HB ALA 26 2HB ALA 26 -3.090 3.933 -10.615 199 3HB ALA 26 3HB ALA 26 -4.214 2.965 -9.659 200 H TYR 27 H TYR 27 -5.108 4.072 -7.848 201 HA TYR 27 HA TYR 27 -5.550 6.825 -8.351 202 1HB TYR 27 2HB TYR 27 -7.091 4.751 -6.789 203 2HB TYR 27 1HB TYR 27 -7.627 6.426 -6.867 204 HD1 TYR 27 1HD TYR 27 -6.563 3.664 -9.172 205 HD2 TYR 27 2HD TYR 27 -9.135 7.005 -8.544 206 HE1 TYR 27 1HE TYR 27 -7.687 3.196 -11.306 207 HE2 TYR 27 2HE TYR 27 -10.262 6.542 -10.678 208 HH TYR 27 HH TYR 27 -9.920 5.415 -12.742 209 H PHE 28 H PHE 28 -4.772 5.021 -5.420 210 HA PHE 28 HA PHE 28 -4.981 7.073 -3.547 211 1HB PHE 28 2HB PHE 28 -4.687 4.718 -2.937 212 2HB PHE 28 1HB PHE 28 -3.067 4.724 -3.617 213 HD1 PHE 28 1HD PHE 28 -1.533 4.467 -1.930 214 HD2 PHE 28 2HD PHE 28 -4.855 7.059 -1.300 215 HE1 PHE 28 1HE PHE 28 -0.627 5.091 0.264 216 HE2 PHE 28 2HE PHE 28 -3.948 7.690 0.896 217 HZ PHE 28 HZ PHE 28 -1.833 6.704 1.685 218 H THR 29 H THR 29 -2.371 6.220 -5.741 219 HA THR 29 HA THR 29 -0.499 8.137 -4.782 220 HB THR 29 HB THR 29 -0.699 6.719 -7.453 221 HG1 THR 29 1HG THR 29 -0.281 5.383 -5.620 222 1HG2 THR 29 1HG2 THR 29 1.596 8.337 -6.328 223 2HG2 THR 29 2HG2 THR 29 0.604 8.770 -7.720 224 3HG2 THR 29 3HG2 THR 29 1.653 7.355 -7.792 225 H GLU 30 H GLU 30 -2.839 8.111 -7.470 226 HA GLU 30 HA GLU 30 -2.218 10.555 -8.636 227 1HB GLU 30 2HB GLU 30 -4.912 9.190 -8.385 228 2HB GLU 30 1HB GLU 30 -4.590 10.554 -9.450 229 1HG GLU 30 2HG GLU 30 -2.954 9.225 -10.680 230 2HG GLU 30 1HG GLU 30 -3.235 7.863 -9.600 231 H PHE 31 H PHE 31 -4.682 9.911 -6.140 232 HA PHE 31 HA PHE 31 -5.494 12.540 -5.672 233 1HB PHE 31 2HB PHE 31 -5.271 10.294 -3.640 234 2HB PHE 31 1HB PHE 31 -6.219 11.759 -3.439 235 HD1 PHE 31 1HD PHE 31 -6.363 10.462 -6.785 236 HD2 PHE 31 2HD PHE 31 -8.012 10.060 -2.878 237 HE1 PHE 31 1HE PHE 31 -8.302 9.284 -7.725 238 HE2 PHE 31 2HE PHE 31 -9.953 8.882 -3.817 239 HZ PHE 31 HZ PHE 31 -10.098 8.489 -6.243 240 H LEU 32 H LEU 32 -2.926 10.644 -4.151 241 HA LEU 32 HA LEU 32 -2.238 12.588 -2.209 242 1HB LEU 32 2HB LEU 32 -1.881 10.115 -2.054 243 2HB LEU 32 1HB LEU 32 -0.581 10.271 -3.217 244 HG LEU 32 HG LEU 32 0.703 11.627 -1.645 245 1HD1 LEU 32 1HD1 LEU 32 -1.600 11.229 0.264 246 2HD1 LEU 32 2HD1 LEU 32 -1.148 12.749 -0.512 247 3HD1 LEU 32 3HD1 LEU 32 -0.050 11.989 0.639 248 1HD2 LEU 32 1HD2 LEU 32 1.168 9.913 0.025 249 2HD2 LEU 32 2HD2 LEU 32 0.945 9.193 -1.569 250 3HD2 LEU 32 3HD2 LEU 32 -0.346 9.100 -0.371 251 H LYS 33 H LYS 33 -1.285 12.130 -5.518 252 HA LYS 33 HA LYS 33 1.073 13.767 -5.380 253 1HB LYS 33 2HB LYS 33 -0.616 12.860 -7.728 254 2HB LYS 33 1HB LYS 33 0.831 13.844 -7.905 255 1HG LYS 33 2HG LYS 33 2.150 12.056 -6.829 256 2HG LYS 33 1HG LYS 33 0.694 11.067 -6.737 257 1HD LYS 33 2HD LYS 33 2.016 10.389 -8.646 258 2HD LYS 33 1HD LYS 33 0.524 11.141 -9.207 259 1HE LYS 33 2HE LYS 33 1.687 13.184 -9.730 260 2HE LYS 33 1HE LYS 33 3.170 12.583 -8.989 261 1HZ LYS 33 1HZ LYS 33 3.379 10.946 -10.699 262 2HZ LYS 33 2HZ LYS 33 3.154 12.447 -11.442 263 3HZ LYS 33 3HZ LYS 33 1.874 11.348 -11.360 264 H LYS 34 H LYS 34 -2.335 14.307 -5.799 265 HA LYS 34 HA LYS 34 -2.196 16.886 -6.968 266 1HB LYS 34 2HB LYS 34 -4.211 15.444 -7.027 267 2HB LYS 34 1HB LYS 34 -4.421 15.683 -5.299 268 1HG LYS 34 2HG LYS 34 -4.815 18.051 -5.634 269 2HG LYS 34 1HG LYS 34 -4.489 17.889 -7.361 270 1HD LYS 34 2HD LYS 34 -6.764 16.590 -5.845 271 2HD LYS 34 1HD LYS 34 -6.895 17.976 -6.929 272 1HE LYS 34 2HE LYS 34 -6.083 16.558 -8.789 273 2HE LYS 34 1HE LYS 34 -6.041 15.178 -7.693 274 1HZ LYS 34 1HZ LYS 34 -8.446 16.722 -8.486 275 2HZ LYS 34 2HZ LYS 34 -8.438 15.465 -7.355 276 3HZ LYS 34 3HZ LYS 34 -8.056 15.150 -8.972 277 H GLU 35 H GLU 35 -2.459 15.781 -3.604 278 HA GLU 35 HA GLU 35 -2.366 18.496 -2.577 279 1HB GLU 35 2HB GLU 35 -2.401 17.441 -0.362 280 2HB GLU 35 1HB GLU 35 -3.678 16.801 -1.388 281 1HG GLU 35 2HG GLU 35 -2.502 14.763 -1.734 282 2HG GLU 35 1HG GLU 35 -1.034 15.414 -1.005 283 H PHE 36 H PHE 36 -0.143 16.450 -3.838 284 HA PHE 36 HA PHE 36 2.089 16.210 -3.828 285 1HB PHE 36 2HB PHE 36 2.039 18.675 -4.169 286 2HB PHE 36 1HB PHE 36 2.147 18.896 -2.424 287 HD1 PHE 36 1HD PHE 36 3.945 17.603 -5.392 288 HD2 PHE 36 2HD PHE 36 4.245 18.758 -1.300 289 HE1 PHE 36 1HE PHE 36 6.399 17.490 -5.539 290 HE2 PHE 36 2HE PHE 36 6.699 18.644 -1.445 291 HZ PHE 36 HZ PHE 36 7.778 18.011 -3.566 292 H SER 37 H SER 37 1.605 14.471 -2.336 293 HA SER 37 HA SER 37 3.550 14.610 -0.211 294 1HB SER 37 2HB SER 37 1.408 15.297 0.909 295 2HB SER 37 1HB SER 37 0.715 13.744 0.449 296 HG SER 37 HG SER 37 1.488 13.502 2.498 297 H ALA 38 H ALA 38 2.935 13.341 -2.840 298 HA ALA 38 HA ALA 38 2.307 10.581 -2.390 299 1HB ALA 38 1HB ALA 38 1.732 11.685 -4.489 300 2HB ALA 38 2HB ALA 38 2.794 10.307 -4.772 301 3HB ALA 38 3HB ALA 38 3.441 11.947 -4.829 302 H GLU 39 H GLU 39 4.994 12.379 -1.812 303 HA GLU 39 HA GLU 39 7.154 10.863 -2.690 304 1HB GLU 39 2HB GLU 39 6.975 12.349 -0.053 305 2HB GLU 39 1HB GLU 39 8.449 11.884 -0.890 306 1HG GLU 39 2HG GLU 39 8.224 14.149 -1.364 307 2HG GLU 39 1HG GLU 39 7.620 13.352 -2.813 308 H ASN 40 H ASN 40 4.957 10.396 -0.045 309 HA ASN 40 HA ASN 40 6.346 8.380 1.357 310 1HB ASN 40 2HB ASN 40 3.375 8.959 1.156 311 2HB ASN 40 1HB ASN 40 4.092 7.832 2.306 312 1HD2 ASN 40 1HD2 ASN 40 2.581 10.395 2.619 313 2HD2 ASN 40 2HD2 ASN 40 3.574 11.368 3.643 314 H VAL 41 H VAL 41 3.672 8.113 -1.018 315 HA VAL 41 HA VAL 41 3.661 5.286 -0.966 316 HB VAL 41 HB VAL 41 2.231 5.384 -2.978 317 1HG1 VAL 41 1HG1 VAL 41 0.370 6.615 -1.941 318 2HG1 VAL 41 2HG1 VAL 41 1.502 7.328 -0.790 319 3HG1 VAL 41 3HG1 VAL 41 1.224 5.586 -0.790 320 1HG2 VAL 41 1HG2 VAL 41 3.260 7.285 -4.119 321 2HG2 VAL 41 2HG2 VAL 41 2.695 8.369 -2.847 322 3HG2 VAL 41 3HG2 VAL 41 1.531 7.551 -3.891 323 H THR 42 H THR 42 5.249 7.606 -3.131 324 HA THR 42 HA THR 42 6.102 5.620 -4.981 325 HB THR 42 HB THR 42 5.942 7.953 -5.674 326 HG1 THR 42 1HG THR 42 8.353 8.073 -6.376 327 1HG2 THR 42 1HG2 THR 42 8.261 8.458 -3.807 328 2HG2 THR 42 2HG2 THR 42 6.614 9.047 -3.599 329 3HG2 THR 42 3HG2 THR 42 7.588 9.617 -4.953 330 H PHE 43 H PHE 43 7.595 7.107 -2.116 331 HA PHE 43 HA PHE 43 10.076 5.782 -2.247 332 1HB PHE 43 2HB PHE 43 9.710 7.611 -0.676 333 2HB PHE 43 1HB PHE 43 8.462 6.691 0.157 334 HD1 PHE 43 1HD PHE 43 9.019 5.277 1.951 335 HD2 PHE 43 2HD PHE 43 12.101 6.728 -0.615 336 HE1 PHE 43 1HE PHE 43 10.720 4.380 3.484 337 HE2 PHE 43 2HE PHE 43 13.800 5.828 0.918 338 HZ PHE 43 HZ PHE 43 13.113 4.652 2.969 339 H TRP 44 H TRP 44 6.982 4.863 -0.800 340 HA TRP 44 HA TRP 44 7.759 2.390 0.286 341 1HB TRP 44 2HB TRP 44 5.611 3.609 0.775 342 2HB TRP 44 1HB TRP 44 5.023 3.123 -0.810 343 HD1 TRP 44 HD TRP 44 5.781 1.732 2.665 344 HE1 TRP 44 1HE TRP 44 4.699 -0.586 2.896 345 HE3 TRP 44 3HE TRP 44 4.202 1.090 -2.155 346 HZ2 TRP 44 2HZ TRP 44 3.336 -2.440 1.259 347 HZ3 TRP 44 3HZ TRP 44 3.005 -0.980 -2.737 348 HH2 TRP 44 HH TRP 44 2.584 -2.710 -1.065 349 H LYS 45 H LYS 45 6.466 3.276 -2.873 350 HA LYS 45 HA LYS 45 6.278 0.676 -3.958 351 1HB LYS 45 2HB LYS 45 6.507 3.403 -5.241 352 2HB LYS 45 1HB LYS 45 6.312 1.930 -6.177 353 1HG LYS 45 2HG LYS 45 4.164 1.510 -5.152 354 2HG LYS 45 1HG LYS 45 4.370 2.900 -4.085 355 1HD LYS 45 2HD LYS 45 2.908 3.527 -5.890 356 2HD LYS 45 1HD LYS 45 4.439 4.373 -6.090 357 1HE LYS 45 2HE LYS 45 3.681 1.841 -7.560 358 2HE LYS 45 1HE LYS 45 3.484 3.466 -8.211 359 1HZ LYS 45 1HZ LYS 45 5.948 3.727 -7.841 360 2HZ LYS 45 2HZ LYS 45 5.500 2.657 -9.065 361 3HZ LYS 45 3HZ LYS 45 6.011 2.058 -7.573 362 H ALA 46 H ALA 46 8.861 3.036 -3.816 363 HA ALA 46 HA ALA 46 10.609 1.818 -5.668 364 1HB ALA 46 1HB ALA 46 11.316 3.554 -3.299 365 2HB ALA 46 2HB ALA 46 10.829 4.148 -4.887 366 3HB ALA 46 3HB ALA 46 12.326 3.233 -4.710 367 H CYS 47 H CYS 47 10.326 1.542 -2.133 368 HA CYS 47 HA CYS 47 12.403 -0.415 -1.915 369 1HB CYS 47 2HB CYS 47 11.775 1.028 -0.021 370 2HB CYS 47 1HB CYS 47 10.185 0.275 0.031 371 HG CYS 47 HG CYS 47 11.779 -2.317 0.315 372 H GLU 48 H GLU 48 8.949 -0.502 -2.458 373 HA GLU 48 HA GLU 48 8.544 -3.269 -2.071 374 1HB GLU 48 2HB GLU 48 6.631 -1.833 -2.198 375 2HB GLU 48 1HB GLU 48 7.103 -1.221 -3.770 376 1HG GLU 48 2HG GLU 48 5.260 -2.696 -4.074 377 2HG GLU 48 1HG GLU 48 6.692 -3.496 -4.712 378 H ARG 49 H ARG 49 9.794 -1.376 -4.774 379 HA ARG 49 HA ARG 49 9.973 -3.417 -6.696 380 1HB ARG 49 2HB ARG 49 11.696 -0.994 -6.173 381 2HB ARG 49 1HB ARG 49 12.048 -2.107 -7.486 382 1HG ARG 49 2HG ARG 49 9.837 -1.640 -8.456 383 2HG ARG 49 1HG ARG 49 9.518 -0.495 -7.148 384 1HD ARG 49 2HD ARG 49 11.301 0.925 -7.849 385 2HD ARG 49 1HD ARG 49 11.897 -0.278 -8.993 386 HE ARG 49 HE ARG 49 9.228 0.475 -9.616 387 1HH1 ARG 49 1HH1 ARG 49 12.539 1.594 -9.792 388 2HH1 ARG 49 2HH1 ARG 49 12.264 2.597 -11.179 389 1HH2 ARG 49 1HH2 ARG 49 8.853 1.768 -11.455 390 2HH2 ARG 49 2HH2 ARG 49 10.150 2.699 -12.136 391 H PHE 50 H PHE 50 12.148 -2.478 -4.078 392 HA PHE 50 HA PHE 50 14.337 -4.094 -4.638 393 1HB PHE 50 2HB PHE 50 13.334 -2.579 -2.355 394 2HB PHE 50 1HB PHE 50 14.162 -4.036 -1.834 395 HD1 PHE 50 1HD PHE 50 16.515 -4.220 -1.948 396 HD2 PHE 50 2HD PHE 50 14.546 -0.907 -3.763 397 HE1 PHE 50 1HE PHE 50 18.683 -3.101 -2.258 398 HE2 PHE 50 2HE PHE 50 16.714 0.212 -4.072 399 HZ PHE 50 HZ PHE 50 18.784 -0.888 -3.319 400 H GLN 51 H GLN 51 11.327 -4.836 -3.037 401 HA GLN 51 HA GLN 51 11.899 -7.327 -1.932 402 1HB GLN 51 2HB GLN 51 9.297 -6.389 -3.170 403 2HB GLN 51 1HB GLN 51 9.472 -7.711 -2.024 404 1HG GLN 51 2HG GLN 51 10.207 -4.853 -1.412 405 2HG GLN 51 1HG GLN 51 8.630 -5.563 -1.058 406 1HE2 GLN 51 1HE2 GLN 51 8.462 -7.125 0.542 407 2HE2 GLN 51 2HE2 GLN 51 9.687 -7.365 1.736 408 H GLN 52 H GLN 52 10.973 -6.432 -5.212 409 HA GLN 52 HA GLN 52 10.742 -9.201 -6.056 410 1HB GLN 52 2HB GLN 52 10.240 -6.550 -7.379 411 2HB GLN 52 1HB GLN 52 10.354 -8.013 -8.346 412 1HG GLN 52 2HG GLN 52 8.036 -7.399 -7.804 413 2HG GLN 52 1HG GLN 52 8.482 -8.990 -7.192 414 1HE2 GLN 52 1HE2 GLN 52 7.771 -5.686 -6.335 415 2HE2 GLN 52 2HE2 GLN 52 7.501 -5.969 -4.648 416 H ILE 53 H ILE 53 13.226 -6.842 -5.921 417 HA ILE 53 HA ILE 53 14.668 -7.859 -8.226 418 HB ILE 53 HB ILE 53 15.693 -5.986 -6.073 419 1HG1 ILE 53 2HG1 ILE 53 14.499 -5.315 -8.784 420 2HG1 ILE 53 1HG1 ILE 53 13.696 -5.068 -7.237 421 1HG2 ILE 53 1HG2 ILE 53 17.464 -7.082 -7.361 422 2HG2 ILE 53 2HG2 ILE 53 17.379 -5.364 -7.750 423 3HG2 ILE 53 3HG2 ILE 53 16.711 -6.556 -8.867 424 1HD1 ILE 53 1HD1 ILE 53 14.615 -2.994 -8.079 425 2HD1 ILE 53 2HD1 ILE 53 16.223 -3.714 -8.157 426 3HD1 ILE 53 3HD1 ILE 53 15.437 -3.476 -6.596 427 HA PRO 54 HA PRO 54 16.304 -11.237 -5.737 428 1HB PRO 54 2HB PRO 54 17.848 -11.850 -8.181 429 2HB PRO 54 1HB PRO 54 16.662 -12.841 -7.326 430 1HG PRO 54 2HG PRO 54 16.103 -11.741 -9.708 431 2HG PRO 54 1HG PRO 54 14.867 -11.896 -8.442 432 1HD PRO 54 2HD PRO 54 16.475 -9.482 -9.229 433 2HD PRO 54 1HD PRO 54 14.738 -9.606 -8.867 434 H ALA 55 H ALA 55 18.261 -11.742 -4.752 435 HA ALA 55 HA ALA 55 20.141 -9.693 -4.387 436 1HB ALA 55 1HB ALA 55 21.445 -11.354 -3.141 437 2HB ALA 55 2HB ALA 55 20.445 -12.646 -3.806 438 3HB ALA 55 3HB ALA 55 19.734 -11.448 -2.725 439 H SER 56 H SER 56 19.963 -12.281 -6.685 440 HA SER 56 HA SER 56 22.576 -12.495 -7.583 441 1HB SER 56 2HB SER 56 20.757 -13.970 -8.337 442 2HB SER 56 1HB SER 56 20.013 -12.628 -9.205 443 HG SER 56 HG SER 56 21.474 -12.786 -10.744 444 H ASP 57 H ASP 57 20.134 -10.064 -8.280 445 HA ASP 57 HA ASP 57 21.866 -8.721 -10.207 446 1HB ASP 57 2HB ASP 57 19.054 -8.081 -9.264 447 2HB ASP 57 1HB ASP 57 19.925 -7.191 -10.508 448 H THR 58 H THR 58 23.191 -8.692 -7.950 449 HA THR 58 HA THR 58 22.682 -6.773 -6.012 450 HB THR 58 HB THR 58 25.456 -7.392 -7.052 451 HG1 THR 58 1HG THR 58 23.620 -9.015 -5.664 452 1HG2 THR 58 1HG2 THR 58 25.332 -5.660 -5.323 453 2HG2 THR 58 2HG2 THR 58 26.083 -7.122 -4.685 454 3HG2 THR 58 3HG2 THR 58 24.407 -6.745 -4.285 455 H GLN 59 H GLN 59 24.222 -6.452 -9.169 456 HA GLN 59 HA GLN 59 25.071 -3.778 -8.957 457 1HB GLN 59 2HB GLN 59 24.281 -5.401 -11.389 458 2HB GLN 59 1HB GLN 59 25.087 -3.838 -11.459 459 1HG GLN 59 2HG GLN 59 27.044 -4.716 -10.398 460 2HG GLN 59 1HG GLN 59 26.237 -6.249 -10.060 461 1HE2 GLN 59 1HE2 GLN 59 25.940 -7.723 -11.717 462 2HE2 GLN 59 2HE2 GLN 59 26.782 -7.612 -13.224 463 H GLN 60 H GLN 60 21.998 -5.202 -9.912 464 HA GLN 60 HA GLN 60 20.774 -2.772 -10.778 465 1HB GLN 60 2HB GLN 60 19.961 -4.982 -11.505 466 2HB GLN 60 1HB GLN 60 19.533 -5.377 -9.848 467 1HG GLN 60 2HG GLN 60 17.543 -4.800 -11.029 468 2HG GLN 60 1HG GLN 60 17.892 -3.518 -9.873 469 1HE2 GLN 60 1HE2 GLN 60 16.287 -3.506 -12.333 470 2HE2 GLN 60 2HE2 GLN 60 16.947 -2.249 -13.322 471 H LEU 61 H LEU 61 20.812 -4.620 -7.771 472 HA LEU 61 HA LEU 61 19.052 -3.107 -6.234 473 1HB LEU 61 2HB LEU 61 21.568 -4.585 -5.436 474 2HB LEU 61 1HB LEU 61 20.434 -3.913 -4.279 475 HG LEU 61 HG LEU 61 19.674 -6.005 -6.326 476 1HD1 LEU 61 1HD1 LEU 61 19.783 -7.627 -4.502 477 2HD1 LEU 61 2HD1 LEU 61 20.418 -6.385 -3.424 478 3HD1 LEU 61 3HD1 LEU 61 21.364 -6.913 -4.814 479 1HD2 LEU 61 1HD2 LEU 61 17.722 -6.314 -4.875 480 2HD2 LEU 61 2HD2 LEU 61 17.810 -4.667 -5.499 481 3HD2 LEU 61 3HD2 LEU 61 18.287 -5.007 -3.833 482 H ALA 62 H ALA 62 22.482 -2.632 -6.917 483 HA ALA 62 HA ALA 62 22.949 -0.483 -5.169 484 1HB ALA 62 1HB ALA 62 24.925 -0.024 -6.542 485 2HB ALA 62 2HB ALA 62 24.308 -1.099 -7.798 486 3HB ALA 62 3HB ALA 62 24.756 -1.749 -6.221 487 H GLN 63 H GLN 63 21.986 -0.524 -8.591 488 HA GLN 63 HA GLN 63 22.023 2.299 -8.887 489 1HB GLN 63 2HB GLN 63 20.578 0.219 -10.546 490 2HB GLN 63 1HB GLN 63 20.839 1.896 -11.012 491 1HG GLN 63 2HG GLN 63 22.907 -0.262 -10.665 492 2HG GLN 63 1HG GLN 63 22.443 0.560 -12.151 493 1HE2 GLN 63 1HE2 GLN 63 23.119 2.713 -12.474 494 2HE2 GLN 63 2HE2 GLN 63 24.458 3.375 -11.601 495 H GLU 64 H GLU 64 19.482 -0.021 -8.087 496 HA GLU 64 HA GLU 64 17.353 1.863 -8.168 497 1HB GLU 64 2HB GLU 64 17.013 -0.594 -8.320 498 2HB GLU 64 1HB GLU 64 17.501 -0.750 -6.639 499 1HG GLU 64 2HG GLU 64 15.080 -0.830 -6.862 500 2HG GLU 64 1HG GLU 64 15.583 0.580 -5.935 501 H ALA 65 H ALA 65 19.395 0.593 -5.547 502 HA ALA 65 HA ALA 65 18.263 1.974 -3.398 503 1HB ALA 65 1HB ALA 65 19.960 0.235 -3.099 504 2HB ALA 65 2HB ALA 65 20.443 1.725 -2.290 505 3HB ALA 65 3HB ALA 65 21.177 1.280 -3.832 506 H ARG 66 H ARG 66 20.757 2.942 -5.700 507 HA ARG 66 HA ARG 66 21.215 5.526 -4.630 508 1HB ARG 66 2HB ARG 66 22.836 4.439 -6.085 509 2HB ARG 66 1HB ARG 66 21.678 4.413 -7.407 510 1HG ARG 66 2HG ARG 66 21.760 6.805 -7.608 511 2HG ARG 66 1HG ARG 66 22.756 6.936 -6.157 512 1HD ARG 66 2HD ARG 66 23.569 5.518 -8.698 513 2HD ARG 66 1HD ARG 66 24.066 7.149 -8.245 514 HE ARG 66 HE ARG 66 25.218 6.158 -6.325 515 1HH1 ARG 66 1HH1 ARG 66 24.359 4.022 -8.958 516 2HH1 ARG 66 2HH1 ARG 66 25.583 2.857 -8.587 517 1HH2 ARG 66 1HH2 ARG 66 26.832 4.643 -5.830 518 2HH2 ARG 66 2HH2 ARG 66 26.998 3.201 -6.789 519 H ASN 67 H ASN 67 18.943 4.231 -6.957 520 HA ASN 67 HA ASN 67 17.950 6.697 -7.948 521 1HB ASN 67 2HB ASN 67 17.570 4.680 -9.211 522 2HB ASN 67 1HB ASN 67 16.746 3.919 -7.855 523 1HD2 ASN 67 1HD2 ASN 67 14.609 4.301 -7.531 524 2HD2 ASN 67 2HD2 ASN 67 13.636 5.288 -8.569 525 H ILE 68 H ILE 68 17.032 4.624 -5.243 526 HA ILE 68 HA ILE 68 14.800 6.201 -4.403 527 HB ILE 68 HB ILE 68 16.515 4.317 -2.745 528 1HG1 ILE 68 2HG1 ILE 68 13.970 3.771 -4.303 529 2HG1 ILE 68 1HG1 ILE 68 15.569 3.150 -4.684 530 1HG2 ILE 68 1HG2 ILE 68 13.712 5.343 -2.263 531 2HG2 ILE 68 2HG2 ILE 68 15.161 5.829 -1.383 532 3HG2 ILE 68 3HG2 ILE 68 14.571 4.172 -1.260 533 1HD1 ILE 68 1HD1 ILE 68 14.165 1.459 -3.626 534 2HD1 ILE 68 2HD1 ILE 68 13.980 2.488 -2.207 535 3HD1 ILE 68 3HD1 ILE 68 15.565 1.840 -2.627 536 H TYR 69 H TYR 69 18.215 6.032 -3.590 537 HA TYR 69 HA TYR 69 18.198 7.714 -1.349 538 1HB TYR 69 2HB TYR 69 20.020 6.125 -1.951 539 2HB TYR 69 1HB TYR 69 20.483 7.194 -3.269 540 HD1 TYR 69 1HD TYR 69 20.389 6.803 0.396 541 HD2 TYR 69 2HD TYR 69 21.749 9.206 -2.845 542 HE1 TYR 69 1HE TYR 69 21.880 8.014 1.929 543 HE2 TYR 69 2HE TYR 69 23.241 10.426 -1.323 544 HH TYR 69 HH TYR 69 23.409 10.915 1.109 545 H GLN 70 H GLN 70 19.169 8.448 -4.711 546 HA GLN 70 HA GLN 70 19.683 11.194 -4.021 547 1HB GLN 70 2HB GLN 70 19.887 9.633 -6.588 548 2HB GLN 70 1HB GLN 70 20.181 11.367 -6.523 549 1HG GLN 70 2HG GLN 70 21.987 11.033 -4.936 550 2HG GLN 70 1HG GLN 70 21.673 9.301 -4.906 551 1HE2 GLN 70 1HE2 GLN 70 21.517 11.215 -7.837 552 2HE2 GLN 70 2HE2 GLN 70 22.925 10.538 -8.575 553 H GLU 71 H GLU 71 16.840 10.120 -3.965 554 HA GLU 71 HA GLU 71 15.742 12.484 -5.301 555 1HB GLU 71 2HB GLU 71 15.286 10.541 -6.764 556 2HB GLU 71 1HB GLU 71 14.448 9.747 -5.435 557 1HG GLU 71 2HG GLU 71 12.724 11.405 -5.435 558 2HG GLU 71 1HG GLU 71 13.616 12.414 -6.570 559 H PHE 72 H PHE 72 15.368 9.975 -2.837 560 HA PHE 72 HA PHE 72 13.410 11.692 -1.440 561 1HB PHE 72 2HB PHE 72 13.908 8.743 -0.970 562 2HB PHE 72 1HB PHE 72 12.584 9.715 -0.339 563 HD1 PHE 72 1HD PHE 72 11.043 10.822 -2.149 564 HD2 PHE 72 2HD PHE 72 13.559 7.456 -2.850 565 HE1 PHE 72 1HE PHE 72 9.655 10.181 -4.074 566 HE2 PHE 72 2HE PHE 72 12.175 6.815 -4.775 567 HZ PHE 72 HZ PHE 72 10.221 8.180 -5.391 568 H LEU 73 H LEU 73 16.571 10.308 -1.225 569 HA LEU 73 HA LEU 73 16.627 10.734 1.699 570 1HB LEU 73 2HB LEU 73 18.141 8.615 0.172 571 2HB LEU 73 1HB LEU 73 18.017 8.780 1.914 572 HG LEU 73 HG LEU 73 15.661 8.173 0.116 573 1HD1 LEU 73 1HD1 LEU 73 17.313 6.268 1.765 574 2HD1 LEU 73 2HD1 LEU 73 17.272 6.349 0.006 575 3HD1 LEU 73 3HD1 LEU 73 15.830 5.871 0.900 576 1HD2 LEU 73 1HD2 LEU 73 14.558 7.540 2.210 577 2HD2 LEU 73 2HD2 LEU 73 15.055 9.232 2.221 578 3HD2 LEU 73 3HD2 LEU 73 15.993 8.032 3.113 579 H SER 74 H SER 74 17.829 11.961 -1.088 580 HA SER 74 HA SER 74 20.591 12.252 -0.324 581 1HB SER 74 2HB SER 74 20.570 13.901 -2.301 582 2HB SER 74 1HB SER 74 20.235 12.209 -2.659 583 HG SER 74 HG SER 74 18.780 14.068 -3.470 584 H SER 75 H SER 75 21.619 14.313 0.107 585 HA SER 75 HA SER 75 20.423 15.679 2.227 586 1HB SER 75 2HB SER 75 22.876 15.540 1.830 587 2HB SER 75 1HB SER 75 22.699 16.648 0.472 588 HG SER 75 HG SER 75 22.338 17.143 3.231 589 H GLN 76 H GLN 76 20.416 16.326 -1.203 590 HA GLN 76 HA GLN 76 18.652 18.643 -0.737 591 1HB GLN 76 2HB GLN 76 20.671 18.180 -2.941 592 2HB GLN 76 1HB GLN 76 19.432 19.424 -3.025 593 1HG GLN 76 2HG GLN 76 21.616 19.222 -0.958 594 2HG GLN 76 1HG GLN 76 21.554 20.353 -2.310 595 1HE2 GLN 76 1HE2 GLN 76 20.311 19.570 0.831 596 2HE2 GLN 76 2HE2 GLN 76 19.481 21.061 1.100 597 H ALA 77 H ALA 77 17.714 16.042 -0.751 598 HA ALA 77 HA ALA 77 16.698 15.140 -3.216 599 1HB ALA 77 1HB ALA 77 16.732 13.741 -1.216 600 2HB ALA 77 2HB ALA 77 15.091 13.869 -1.849 601 3HB ALA 77 3HB ALA 77 15.565 14.806 -0.433 602 H LEU 78 H LEU 78 14.212 15.039 -3.575 603 HA LEU 78 HA LEU 78 13.209 17.676 -3.931 604 1HB LEU 78 2HB LEU 78 11.882 14.965 -4.140 605 2HB LEU 78 1HB LEU 78 11.035 16.463 -4.475 606 HG LEU 78 HG LEU 78 12.663 16.941 -6.303 607 1HD1 LEU 78 1HD1 LEU 78 14.100 15.134 -7.131 608 2HD1 LEU 78 2HD1 LEU 78 13.670 14.153 -5.729 609 3HD1 LEU 78 3HD1 LEU 78 14.568 15.655 -5.513 610 1HD2 LEU 78 1HD2 LEU 78 11.187 14.315 -6.522 611 2HD2 LEU 78 2HD2 LEU 78 11.770 15.281 -7.877 612 3HD2 LEU 78 3HD2 LEU 78 10.517 15.920 -6.814 613 H SER 79 H SER 79 12.110 15.002 -1.879 614 HA SER 79 HA SER 79 11.540 16.882 0.282 615 1HB SER 79 2HB SER 79 9.550 14.764 -0.604 616 2HB SER 79 1HB SER 79 9.347 15.912 0.719 617 HG SER 79 HG SER 79 8.341 16.387 -1.430 618 HA PRO 80 HA PRO 80 13.967 13.408 1.993 619 1HB PRO 80 2HB PRO 80 14.339 14.671 4.430 620 2HB PRO 80 1HB PRO 80 15.402 14.864 3.032 621 1HG PRO 80 2HG PRO 80 13.188 16.637 3.993 622 2HG PRO 80 1HG PRO 80 14.781 17.080 3.348 623 1HD PRO 80 2HD PRO 80 12.555 17.242 1.843 624 2HD PRO 80 1HD PRO 80 14.114 16.757 1.142 625 H VAL 81 H VAL 81 12.523 11.806 2.345 626 HA VAL 81 HA VAL 81 10.042 12.025 3.552 627 HB VAL 81 HB VAL 81 10.110 9.534 3.828 628 1HG1 VAL 81 1HG1 VAL 81 9.351 10.558 1.744 629 2HG1 VAL 81 2HG1 VAL 81 10.208 9.050 1.425 630 3HG1 VAL 81 3HG1 VAL 81 11.010 10.597 1.143 631 1HG2 VAL 81 1HG2 VAL 81 12.476 9.253 4.328 632 2HG2 VAL 81 2HG2 VAL 81 12.905 9.833 2.719 633 3HG2 VAL 81 3HG2 VAL 81 12.033 8.309 2.904 634 H ASN 82 H ASN 82 9.214 11.357 5.551 635 HA ASN 82 HA ASN 82 10.646 12.630 7.645 636 1HB ASN 82 2HB ASN 82 8.210 12.819 7.321 637 2HB ASN 82 1HB ASN 82 8.021 11.117 7.721 638 1HD2 ASN 82 1HD2 ASN 82 8.094 10.480 9.844 639 2HD2 ASN 82 2HD2 ASN 82 8.103 11.589 11.164 640 H ILE 83 H ILE 83 11.338 9.682 6.595 641 HA ILE 83 HA ILE 83 11.205 7.991 8.837 642 HB ILE 83 HB ILE 83 12.921 6.638 7.780 643 1HG1 ILE 83 2HG1 ILE 83 13.300 8.963 5.861 644 2HG1 ILE 83 1HG1 ILE 83 14.441 8.484 7.112 645 1HG2 ILE 83 1HG2 ILE 83 11.017 7.801 5.746 646 2HG2 ILE 83 2HG2 ILE 83 10.668 6.493 6.879 647 3HG2 ILE 83 3HG2 ILE 83 11.861 6.257 5.602 648 1HD1 ILE 83 1HD1 ILE 83 14.791 6.357 5.989 649 2HD1 ILE 83 2HD1 ILE 83 15.134 7.712 4.916 650 3HD1 ILE 83 3HD1 ILE 83 13.627 6.813 4.746 651 H ASP 84 H ASP 84 13.028 7.265 10.184 652 HA ASP 84 HA ASP 84 14.490 9.493 11.286 653 1HB ASP 84 2HB ASP 84 14.524 6.539 11.975 654 2HB ASP 84 1HB ASP 84 15.415 7.769 12.863 655 H ARG 85 H ARG 85 16.090 10.224 9.949 656 HA ARG 85 HA ARG 85 17.812 8.436 8.506 657 1HB ARG 85 2HB ARG 85 17.912 11.419 8.967 658 2HB ARG 85 1HB ARG 85 19.169 10.562 8.087 659 1HG ARG 85 2HG ARG 85 17.828 11.326 6.377 660 2HG ARG 85 1HG ARG 85 17.205 9.695 6.618 661 1HD ARG 85 2HD ARG 85 15.328 11.147 6.394 662 2HD ARG 85 1HD ARG 85 15.431 10.688 8.094 663 HE ARG 85 HE ARG 85 16.830 13.044 7.913 664 1HH1 ARG 85 1HH1 ARG 85 13.549 12.039 7.156 665 2HH1 ARG 85 2HH1 ARG 85 12.873 13.607 7.466 666 1HH2 ARG 85 1HH2 ARG 85 15.917 15.109 8.281 667 2HH2 ARG 85 2HH2 ARG 85 14.210 15.347 8.078 668 H GLN 86 H GLN 86 17.716 9.589 11.682 669 HA GLN 86 HA GLN 86 20.458 9.763 12.314 670 1HB GLN 86 2HB GLN 86 18.084 9.127 14.082 671 2HB GLN 86 1HB GLN 86 19.702 9.450 14.684 672 1HG GLN 86 2HG GLN 86 18.397 11.431 14.931 673 2HG GLN 86 1HG GLN 86 19.581 11.710 13.657 674 1HE2 GLN 86 1HE2 GLN 86 18.878 11.989 11.545 675 2HE2 GLN 86 2HE2 GLN 86 17.211 12.250 11.148 676 H ALA 87 H ALA 87 18.153 7.084 12.510 677 HA ALA 87 HA ALA 87 20.348 5.242 13.209 678 1HB ALA 87 1HB ALA 87 18.459 5.266 14.772 679 2HB ALA 87 2HB ALA 87 18.593 3.706 13.960 680 3HB ALA 87 3HB ALA 87 17.358 4.861 13.455 681 H TRP 88 H TRP 88 19.695 6.354 10.535 682 HA TRP 88 HA TRP 88 18.411 4.279 9.021 683 1HB TRP 88 2HB TRP 88 18.372 6.767 8.498 684 2HB TRP 88 1HB TRP 88 20.035 6.600 7.951 685 HD1 TRP 88 HD TRP 88 16.613 4.938 7.166 686 HE1 TRP 88 1HE TRP 88 16.515 4.485 4.637 687 HE3 TRP 88 3HE TRP 88 21.250 6.643 5.850 688 HZ2 TRP 88 2HZ TRP 88 18.174 4.805 2.393 689 HZ3 TRP 88 3HZ TRP 88 21.914 6.532 3.479 690 HH2 TRP 88 HH TRP 88 20.397 5.629 1.790 691 H LEU 89 H LEU 89 19.635 3.535 6.940 692 HA LEU 89 HA LEU 89 21.640 1.754 7.723 693 1HB LEU 89 2HB LEU 89 20.967 2.747 4.940 694 2HB LEU 89 1HB LEU 89 21.997 1.373 5.283 695 HG LEU 89 HG LEU 89 19.901 0.481 4.656 696 1HD1 LEU 89 1HD1 LEU 89 19.126 -0.696 6.640 697 2HD1 LEU 89 2HD1 LEU 89 20.013 0.430 7.666 698 3HD1 LEU 89 3HD1 LEU 89 20.887 -0.641 6.570 699 1HD2 LEU 89 1HD2 LEU 89 18.597 2.349 6.634 700 2HD2 LEU 89 2HD2 LEU 89 17.771 1.105 5.696 701 3HD2 LEU 89 3HD2 LEU 89 18.527 2.469 4.876 702 H GLY 90 H GLY 90 22.040 4.451 5.431 703 1HA GLY 90 2HA GLY 90 23.762 6.151 6.102 704 2HA GLY 90 1HA GLY 90 24.813 4.772 6.399 705 H GLU 91 H GLU 91 25.836 6.525 4.771 706 HA GLU 91 HA GLU 91 25.207 6.412 2.035 707 1HB GLU 91 2HB GLU 91 27.924 6.853 3.306 708 2HB GLU 91 1HB GLU 91 27.440 7.343 1.687 709 1HG GLU 91 2HG GLU 91 25.932 8.980 2.546 710 2HG GLU 91 1HG GLU 91 26.115 8.372 4.190 711 H GLU 92 H GLU 92 26.536 4.087 4.085 712 HA GLU 92 HA GLU 92 28.338 2.726 2.417 713 1HB GLU 92 2HB GLU 92 27.942 0.827 4.028 714 2HB GLU 92 1HB GLU 92 28.401 2.350 4.778 715 1HG GLU 92 2HG GLU 92 25.922 2.755 5.152 716 2HG GLU 92 1HG GLU 92 25.678 1.070 4.698 717 H VAL 93 H VAL 93 24.869 2.770 2.559 718 HA VAL 93 HA VAL 93 24.422 0.225 1.404 719 HB VAL 93 HB VAL 93 22.672 1.461 2.656 720 1HG1 VAL 93 1HG1 VAL 93 22.474 3.184 0.182 721 2HG1 VAL 93 2HG1 VAL 93 23.088 3.701 1.752 722 3HG1 VAL 93 3HG1 VAL 93 21.396 3.235 1.578 723 1HG2 VAL 93 1HG2 VAL 93 21.894 0.701 -0.165 724 2HG2 VAL 93 2HG2 VAL 93 20.796 0.831 1.211 725 3HG2 VAL 93 3HG2 VAL 93 22.056 -0.402 1.202 726 H LEU 94 H LEU 94 25.294 3.299 0.102 727 HA LEU 94 HA LEU 94 24.513 2.831 -2.601 728 1HB LEU 94 2HB LEU 94 26.547 4.696 -1.368 729 2HB LEU 94 1HB LEU 94 26.261 4.628 -3.094 730 HG LEU 94 HG LEU 94 25.070 6.510 -2.199 731 1HD1 LEU 94 1HD1 LEU 94 23.120 4.282 -2.793 732 2HD1 LEU 94 2HD1 LEU 94 23.947 5.285 -3.986 733 3HD1 LEU 94 3HD1 LEU 94 22.782 6.012 -2.881 734 1HD2 LEU 94 1HD2 LEU 94 23.715 4.595 -0.300 735 2HD2 LEU 94 2HD2 LEU 94 23.345 6.311 -0.482 736 3HD2 LEU 94 3HD2 LEU 94 24.920 5.808 0.132 737 H ALA 95 H ALA 95 27.141 1.833 -0.618 738 HA ALA 95 HA ALA 95 28.825 1.046 -2.854 739 1HB ALA 95 1HB ALA 95 30.427 0.357 -1.147 740 2HB ALA 95 2HB ALA 95 29.231 0.664 0.114 741 3HB ALA 95 3HB ALA 95 29.860 2.001 -0.849 742 H GLU 96 H GLU 96 27.155 -0.556 -0.129 743 HA GLU 96 HA GLU 96 27.227 -3.081 -1.664 744 1HB GLU 96 2HB GLU 96 27.436 -2.775 1.344 745 2HB GLU 96 1HB GLU 96 27.438 -4.294 0.458 746 1HG GLU 96 2HG GLU 96 29.536 -3.645 -0.638 747 2HG GLU 96 1HG GLU 96 29.539 -2.137 0.276 748 HA PRO 97 HA PRO 97 22.805 -2.475 -0.778 749 1HB PRO 97 2HB PRO 97 21.860 -3.158 -3.157 750 2HB PRO 97 1HB PRO 97 22.751 -1.642 -2.962 751 1HG PRO 97 2HG PRO 97 23.680 -4.252 -4.099 752 2HG PRO 97 1HG PRO 97 24.020 -2.606 -4.656 753 1HD PRO 97 2HD PRO 97 25.698 -4.168 -3.037 754 2HD PRO 97 1HD PRO 97 25.826 -2.412 -3.274 755 H ARG 98 H ARG 98 20.894 -3.979 -1.029 756 HA ARG 98 HA ARG 98 21.376 -6.791 -1.366 757 1HB ARG 98 2HB ARG 98 20.812 -7.472 0.911 758 2HB ARG 98 1HB ARG 98 22.244 -6.451 0.928 759 1HG ARG 98 2HG ARG 98 20.861 -4.542 1.622 760 2HG ARG 98 1HG ARG 98 19.440 -5.585 1.628 761 1HD ARG 98 2HD ARG 98 21.895 -5.933 3.353 762 2HD ARG 98 1HD ARG 98 20.341 -5.286 3.883 763 HE ARG 98 HE ARG 98 20.191 -7.920 2.715 764 1HH1 ARG 98 1HH1 ARG 98 20.704 -6.114 5.670 765 2HH1 ARG 98 2HH1 ARG 98 20.221 -7.414 6.705 766 1HH2 ARG 98 1HH2 ARG 98 19.547 -9.640 4.055 767 2HH2 ARG 98 2HH2 ARG 98 19.593 -9.451 5.780 768 HA PRO 99 HA PRO 99 17.129 -6.621 -2.496 769 1HB PRO 99 2HB PRO 99 16.181 -9.079 -1.760 770 2HB PRO 99 1HB PRO 99 17.251 -8.828 -3.146 771 1HG PRO 99 2HG PRO 99 17.938 -9.718 -0.362 772 2HG PRO 99 1HG PRO 99 18.497 -10.375 -1.913 773 1HD PRO 99 2HD PRO 99 20.023 -8.704 -0.456 774 2HD PRO 99 1HD PRO 99 20.027 -8.653 -2.233 775 H ASP 100 H ASP 100 17.942 -7.237 0.798 776 HA ASP 100 HA ASP 100 15.231 -6.467 1.672 777 1HB ASP 100 2HB ASP 100 17.426 -7.930 3.173 778 2HB ASP 100 1HB ASP 100 15.936 -7.361 3.918 779 H MET 101 H MET 101 15.761 -4.250 1.144 780 HA MET 101 HA MET 101 17.310 -2.948 3.258 781 1HB MET 101 2HB MET 101 18.765 -3.370 1.224 782 2HB MET 101 1HB MET 101 17.724 -2.267 0.340 783 1HG MET 101 2HG MET 101 19.350 -0.814 0.942 784 2HG MET 101 1HG MET 101 18.334 -0.668 2.372 785 1HE MET 101 1HE MET 101 20.302 -2.894 4.973 786 2HE MET 101 2HE MET 101 18.990 -3.448 3.935 787 3HE MET 101 3HE MET 101 18.891 -1.869 4.712 788 H PHE 102 H PHE 102 16.746 -0.833 3.659 789 HA PHE 102 HA PHE 102 15.475 1.009 3.858 790 1HB PHE 102 2HB PHE 102 14.681 0.409 1.000 791 2HB PHE 102 1HB PHE 102 14.357 1.918 1.847 792 HD1 PHE 102 1HD PHE 102 15.807 1.811 -0.732 793 HD2 PHE 102 2HD PHE 102 17.268 1.547 3.267 794 HE1 PHE 102 1HE PHE 102 17.988 2.686 -1.467 795 HE2 PHE 102 2HE PHE 102 19.439 2.425 2.527 796 HZ PHE 102 HZ PHE 102 19.802 2.994 0.160 797 H ARG 103 H ARG 103 14.148 -2.002 3.614 798 HA ARG 103 HA ARG 103 11.393 -1.426 3.340 799 1HB ARG 103 2HB ARG 103 12.352 -3.664 2.921 800 2HB ARG 103 1HB ARG 103 12.689 -3.835 4.640 801 1HG ARG 103 2HG ARG 103 10.378 -3.907 5.180 802 2HG ARG 103 1HG ARG 103 9.912 -3.386 3.561 803 1HD ARG 103 2HD ARG 103 9.504 -5.752 3.790 804 2HD ARG 103 1HD ARG 103 10.825 -5.495 2.652 805 HE ARG 103 HE ARG 103 11.238 -6.315 5.460 806 1HH1 ARG 103 1HH1 ARG 103 12.048 -6.527 2.055 807 2HH1 ARG 103 2HH1 ARG 103 13.231 -7.780 2.290 808 1HH2 ARG 103 1HH2 ARG 103 12.794 -7.955 5.761 809 2HH2 ARG 103 2HH2 ARG 103 13.664 -8.573 4.387 810 H ALA 104 H ALA 104 13.554 -1.453 6.082 811 HA ALA 104 HA ALA 104 11.647 -1.457 8.153 812 1HB ALA 104 1HB ALA 104 14.364 -0.124 8.092 813 2HB ALA 104 2HB ALA 104 14.046 -1.798 8.549 814 3HB ALA 104 3HB ALA 104 13.417 -0.480 9.539 815 H GLN 105 H GLN 105 13.052 1.110 6.206 816 HA GLN 105 HA GLN 105 11.617 3.227 7.531 817 1HB GLN 105 2HB GLN 105 13.229 3.169 4.966 818 2HB GLN 105 1HB GLN 105 12.531 4.625 5.660 819 1HG GLN 105 2HG GLN 105 14.842 4.545 6.240 820 2HG GLN 105 1HG GLN 105 13.898 4.257 7.698 821 1HE2 GLN 105 1HE2 GLN 105 15.608 3.255 8.738 822 2HE2 GLN 105 2HE2 GLN 105 16.175 1.681 8.305 823 H GLN 106 H GLN 106 11.255 1.237 4.694 824 HA GLN 106 HA GLN 106 9.221 2.526 3.318 825 1HB GLN 106 2HB GLN 106 10.383 0.552 2.449 826 2HB GLN 106 1HB GLN 106 9.691 -0.443 3.722 827 1HG GLN 106 2HG GLN 106 7.427 0.078 2.783 828 2HG GLN 106 1HG GLN 106 8.238 0.863 1.429 829 1HE2 GLN 106 1HE2 GLN 106 7.379 -0.589 -0.054 830 2HE2 GLN 106 2HE2 GLN 106 7.920 -2.227 -0.163 831 H LEU 107 H LEU 107 9.024 0.201 5.989 832 HA LEU 107 HA LEU 107 6.191 0.166 6.116 833 1HB LEU 107 2HB LEU 107 7.751 -1.594 7.033 834 2HB LEU 107 1HB LEU 107 8.115 -0.495 8.351 835 HG LEU 107 HG LEU 107 5.650 -0.505 8.912 836 1HD1 LEU 107 1HD1 LEU 107 4.288 -2.343 8.053 837 2HD1 LEU 107 2HD1 LEU 107 5.597 -2.809 6.966 838 3HD1 LEU 107 3HD1 LEU 107 4.792 -1.252 6.763 839 1HD2 LEU 107 1HD2 LEU 107 5.726 -2.672 10.051 840 2HD2 LEU 107 2HD2 LEU 107 7.265 -1.821 10.192 841 3HD2 LEU 107 3HD2 LEU 107 7.096 -3.154 9.050 842 H GLN 108 H GLN 108 8.634 2.250 7.485 843 HA GLN 108 HA GLN 108 7.023 3.451 9.488 844 1HB GLN 108 2HB GLN 108 9.471 3.645 9.507 845 2HB GLN 108 1HB GLN 108 9.427 4.586 8.020 846 1HG GLN 108 2HG GLN 108 8.371 6.414 9.104 847 2HG GLN 108 1HG GLN 108 8.046 5.457 10.548 848 1HE2 GLN 108 1HE2 GLN 108 9.086 6.919 11.877 849 2HE2 GLN 108 2HE2 GLN 108 10.807 7.087 11.906 850 H ILE 109 H ILE 109 7.716 4.292 6.110 851 HA ILE 109 HA ILE 109 6.030 6.555 5.963 852 HB ILE 109 HB ILE 109 7.501 4.880 4.074 853 1HG1 ILE 109 2HG1 ILE 109 7.796 7.012 2.896 854 2HG1 ILE 109 1HG1 ILE 109 6.542 7.751 3.886 855 1HG2 ILE 109 1HG2 ILE 109 6.159 5.347 2.073 856 2HG2 ILE 109 2HG2 ILE 109 4.866 5.982 3.091 857 3HG2 ILE 109 3HG2 ILE 109 5.317 4.279 3.198 858 1HD1 ILE 109 1HD1 ILE 109 9.167 6.687 4.897 859 2HD1 ILE 109 2HD1 ILE 109 7.923 7.485 5.861 860 3HD1 ILE 109 3HD1 ILE 109 8.782 8.382 4.608 861 H PHE 110 H PHE 110 5.474 3.116 5.448 862 HA PHE 110 HA PHE 110 2.839 3.105 4.601 863 1HB PHE 110 2HB PHE 110 4.279 1.096 4.756 864 2HB PHE 110 1HB PHE 110 4.188 1.163 6.506 865 HD1 PHE 110 1HD PHE 110 2.018 0.665 7.652 866 HD2 PHE 110 2HD PHE 110 2.555 0.125 3.462 867 HE1 PHE 110 1HE PHE 110 0.028 -0.783 7.583 868 HE2 PHE 110 2HE PHE 110 0.566 -1.313 3.389 869 HZ PHE 110 HZ PHE 110 -0.703 -1.770 5.444 870 H ASN 111 H ASN 111 4.066 3.040 7.942 871 HA ASN 111 HA ASN 111 1.524 3.114 9.192 872 1HB ASN 111 2HB ASN 111 4.276 3.833 10.231 873 2HB ASN 111 1HB ASN 111 2.836 3.778 11.243 874 1HD2 ASN 111 1HD2 ASN 111 5.306 2.224 11.358 875 2HD2 ASN 111 2HD2 ASN 111 4.819 0.566 11.286 876 H LEU 112 H LEU 112 3.752 5.608 8.142 877 HA LEU 112 HA LEU 112 2.746 7.794 9.555 878 1HB LEU 112 2HB LEU 112 4.860 7.668 8.179 879 2HB LEU 112 1HB LEU 112 3.874 7.844 6.745 880 HG LEU 112 HG LEU 112 3.883 9.939 8.924 881 1HD1 LEU 112 1HD1 LEU 112 5.708 9.794 6.518 882 2HD1 LEU 112 2HD1 LEU 112 6.194 9.631 8.207 883 3HD1 LEU 112 3HD1 LEU 112 5.555 11.165 7.619 884 1HD2 LEU 112 1HD2 LEU 112 3.217 10.071 5.975 885 2HD2 LEU 112 2HD2 LEU 112 3.171 11.423 7.106 886 3HD2 LEU 112 3HD2 LEU 112 2.054 10.076 7.301 887 H MET 113 H MET 113 1.771 6.473 6.413 888 HA MET 113 HA MET 113 -0.452 8.400 6.306 889 1HB MET 113 2HB MET 113 -0.644 7.729 3.928 890 2HB MET 113 1HB MET 113 0.943 8.371 4.326 891 1HG MET 113 2HG MET 113 1.803 6.060 4.483 892 2HG MET 113 1HG MET 113 0.219 5.467 3.986 893 1HE MET 113 1HE MET 113 2.961 4.719 2.512 894 2HE MET 113 2HE MET 113 2.465 4.839 0.825 895 3HE MET 113 3HE MET 113 1.388 4.101 2.010 896 H LYS 114 H LYS 114 -0.013 5.528 7.625 897 HA LYS 114 HA LYS 114 -1.802 3.735 6.458 898 1HB LYS 114 2HB LYS 114 -0.087 3.129 8.129 899 2HB LYS 114 1HB LYS 114 -1.022 3.943 9.374 900 1HG LYS 114 2HG LYS 114 -2.854 2.344 9.039 901 2HG LYS 114 1HG LYS 114 -1.904 1.525 7.795 902 1HD LYS 114 2HD LYS 114 -0.172 1.012 9.465 903 2HD LYS 114 1HD LYS 114 -1.128 1.829 10.705 904 1HE LYS 114 2HE LYS 114 -2.947 0.191 10.330 905 2HE LYS 114 1HE LYS 114 -1.923 -0.645 9.161 906 1HZ LYS 114 1HZ LYS 114 -1.856 -1.681 11.355 907 2HZ LYS 114 2HZ LYS 114 -1.271 -0.246 12.031 908 3HZ LYS 114 3HZ LYS 114 -0.333 -1.095 10.909 909 H PHE 115 H PHE 115 -2.377 6.259 8.864 910 HA PHE 115 HA PHE 115 -5.270 5.781 8.552 911 1HB PHE 115 2HB PHE 115 -4.301 4.886 10.742 912 2HB PHE 115 1HB PHE 115 -3.985 6.562 11.181 913 HD1 PHE 115 1HD PHE 115 -6.829 4.555 9.797 914 HD2 PHE 115 2HD PHE 115 -5.556 7.518 12.583 915 HE1 PHE 115 1HE PHE 115 -9.126 4.731 10.657 916 HE2 PHE 115 2HE PHE 115 -7.856 7.698 13.443 917 HZ PHE 115 HZ PHE 115 -9.642 6.304 12.480 918 H ASP 116 H ASP 116 -3.383 7.652 7.318 919 HA ASP 116 HA ASP 116 -4.583 10.203 8.198 920 1HB ASP 116 2HB ASP 116 -1.726 9.677 7.333 921 2HB ASP 116 1HB ASP 116 -2.424 11.291 7.381 922 H SER 117 H SER 117 -2.421 9.509 5.482 923 HA SER 117 HA SER 117 -4.018 10.772 3.563 924 1HB SER 117 2HB SER 117 -1.600 10.306 3.250 925 2HB SER 117 1HB SER 117 -1.958 8.583 3.127 926 HG SER 117 HG SER 117 -3.007 10.577 1.399 927 H TYR 118 H TYR 118 -3.764 7.386 4.554 928 HA TYR 118 HA TYR 118 -5.584 6.203 2.819 929 1HB TYR 118 2HB TYR 118 -4.303 4.800 4.252 930 2HB TYR 118 1HB TYR 118 -4.849 5.642 5.694 931 HD1 TYR 118 1HD TYR 118 -6.645 4.792 6.934 932 HD2 TYR 118 2HD TYR 118 -6.078 3.450 2.933 933 HE1 TYR 118 1HE TYR 118 -8.387 3.092 7.267 934 HE2 TYR 118 2HE TYR 118 -7.820 1.748 3.254 935 HH TYR 118 HH TYR 118 -9.918 1.739 5.970 936 H ALA 119 H ALA 119 -6.172 7.711 5.987 937 HA ALA 119 HA ALA 119 -8.943 7.266 6.082 938 1HB ALA 119 1HB ALA 119 -7.355 9.495 7.365 939 2HB ALA 119 2HB ALA 119 -7.627 7.893 8.049 940 3HB ALA 119 3HB ALA 119 -8.985 8.995 7.818 941 H ARG 120 H ARG 120 -7.038 9.825 4.626 942 HA ARG 120 HA ARG 120 -9.319 11.491 4.032 943 1HB ARG 120 2HB ARG 120 -7.087 12.421 4.553 944 2HB ARG 120 1HB ARG 120 -6.446 11.687 3.091 945 1HG ARG 120 2HG ARG 120 -7.669 13.149 1.697 946 2HG ARG 120 1HG ARG 120 -8.697 13.685 3.031 947 1HD ARG 120 2HD ARG 120 -7.013 15.376 2.446 948 2HD ARG 120 1HD ARG 120 -6.798 14.781 4.089 949 HE ARG 120 HE ARG 120 -5.089 14.133 1.769 950 1HH1 ARG 120 1HH1 ARG 120 -5.585 14.181 5.252 951 2HH1 ARG 120 2HH1 ARG 120 -3.931 13.809 5.615 952 1HH2 ARG 120 1HH2 ARG 120 -2.936 13.661 2.252 953 2HH2 ARG 120 2HH2 ARG 120 -2.429 13.489 3.907 954 H PHE 121 H PHE 121 -7.455 9.034 2.428 955 HA PHE 121 HA PHE 121 -8.115 9.502 -0.246 956 1HB PHE 121 2HB PHE 121 -6.414 7.888 0.281 957 2HB PHE 121 1HB PHE 121 -7.530 6.934 1.250 958 HD1 PHE 121 1HD PHE 121 -6.764 7.993 -2.227 959 HD2 PHE 121 2HD PHE 121 -8.821 5.219 0.271 960 HE1 PHE 121 1HE PHE 121 -7.279 6.607 -4.191 961 HE2 PHE 121 2HE PHE 121 -9.338 3.834 -1.694 962 HZ PHE 121 HZ PHE 121 -8.567 4.522 -3.926 963 H VAL 122 H VAL 122 -9.708 7.358 2.113 964 HA VAL 122 HA VAL 122 -11.814 6.594 0.373 965 HB VAL 122 HB VAL 122 -12.924 5.682 2.362 966 1HG1 VAL 122 1HG1 VAL 122 -9.936 5.219 2.375 967 2HG1 VAL 122 2HG1 VAL 122 -11.114 4.396 1.351 968 3HG1 VAL 122 3HG1 VAL 122 -11.146 4.156 3.098 969 1HG2 VAL 122 1HG2 VAL 122 -10.772 7.108 3.945 970 2HG2 VAL 122 2HG2 VAL 122 -11.934 5.957 4.604 971 3HG2 VAL 122 3HG2 VAL 122 -12.494 7.494 3.945 972 H LYS 123 H LYS 123 -11.300 9.432 2.260 973 HA LYS 123 HA LYS 123 -14.061 10.250 2.423 974 1HB LYS 123 2HB LYS 123 -11.475 11.761 2.866 975 2HB LYS 123 1HB LYS 123 -13.069 12.470 3.094 976 1HG LYS 123 2HG LYS 123 -13.559 10.914 4.871 977 2HG LYS 123 1HG LYS 123 -12.038 10.063 4.587 978 1HD LYS 123 2HD LYS 123 -10.786 12.078 5.203 979 2HD LYS 123 1HD LYS 123 -12.300 12.946 5.468 980 1HE LYS 123 2HE LYS 123 -11.419 10.487 6.985 981 2HE LYS 123 1HE LYS 123 -11.264 12.145 7.564 982 1HZ LYS 123 1HZ LYS 123 -13.226 11.039 8.461 983 2HZ LYS 123 2HZ LYS 123 -13.829 10.806 6.897 984 3HZ LYS 123 3HZ LYS 123 -13.656 12.369 7.508 985 H SER 124 H SER 124 -11.473 10.528 0.144 986 HA SER 124 HA SER 124 -12.343 12.776 -1.305 987 1HB SER 124 2HB SER 124 -10.782 10.364 -2.272 988 2HB SER 124 1HB SER 124 -10.919 11.901 -3.127 989 HG SER 124 HG SER 124 -9.785 11.513 -0.548 990 HA PRO 125 HA PRO 125 -16.214 11.258 -2.849 991 1HB PRO 125 2HB PRO 125 -16.391 13.029 -4.992 992 2HB PRO 125 1HB PRO 125 -16.908 13.365 -3.339 993 1HG PRO 125 2HG PRO 125 -14.347 14.094 -4.709 994 2HG PRO 125 1HG PRO 125 -15.339 15.057 -3.593 995 1HD PRO 125 2HD PRO 125 -13.097 13.873 -2.757 996 2HD PRO 125 1HD PRO 125 -14.536 13.928 -1.714 997 H LEU 126 H LEU 126 -13.391 11.586 -4.885 998 HA LEU 126 HA LEU 126 -14.317 10.451 -7.262 999 1HB LEU 126 2HB LEU 126 -12.080 11.644 -6.675 1000 2HB LEU 126 1HB LEU 126 -11.510 10.050 -6.237 1001 HG LEU 126 HG LEU 126 -12.588 10.671 -8.995 1002 1HD1 LEU 126 1HD1 LEU 126 -10.714 12.176 -8.555 1003 2HD1 LEU 126 2HD1 LEU 126 -10.279 10.946 -9.738 1004 3HD1 LEU 126 3HD1 LEU 126 -9.712 10.804 -8.073 1005 1HD2 LEU 126 1HD2 LEU 126 -12.486 8.302 -8.455 1006 2HD2 LEU 126 2HD2 LEU 126 -10.801 8.463 -7.963 1007 3HD2 LEU 126 3HD2 LEU 126 -11.257 8.710 -9.650 1008 H TYR 127 H TYR 127 -13.575 9.006 -4.221 1009 HA TYR 127 HA TYR 127 -12.922 6.391 -4.844 1010 1HB TYR 127 2HB TYR 127 -13.047 7.463 -2.551 1011 2HB TYR 127 1HB TYR 127 -14.787 7.227 -2.605 1012 HD1 TYR 127 1HD TYR 127 -15.612 4.760 -2.917 1013 HD2 TYR 127 2HD TYR 127 -11.668 5.797 -1.687 1014 HE1 TYR 127 1HE TYR 127 -15.321 2.509 -1.963 1015 HE2 TYR 127 2HE TYR 127 -11.372 3.552 -0.737 1016 HH TYR 127 HH TYR 127 -12.774 1.719 0.126 1017 H ARG 128 H ARG 128 -16.110 7.947 -4.776 1018 HA ARG 128 HA ARG 128 -17.531 5.476 -5.026 1019 1HB ARG 128 2HB ARG 128 -19.534 6.763 -5.106 1020 2HB ARG 128 1HB ARG 128 -18.469 7.550 -3.953 1021 1HG ARG 128 2HG ARG 128 -19.188 9.390 -5.060 1022 2HG ARG 128 1HG ARG 128 -17.825 8.984 -6.101 1023 1HD ARG 128 2HD ARG 128 -19.476 7.655 -7.510 1024 2HD ARG 128 1HD ARG 128 -20.753 8.429 -6.568 1025 HE ARG 128 HE ARG 128 -18.838 10.230 -7.768 1026 1HH1 ARG 128 1HH1 ARG 128 -21.958 8.668 -8.077 1027 2HH1 ARG 128 2HH1 ARG 128 -22.491 9.718 -9.349 1028 1HH2 ARG 128 1HH2 ARG 128 -19.515 11.596 -9.427 1029 2HH2 ARG 128 2HH2 ARG 128 -21.094 11.404 -10.122 1030 H GLU 129 H GLU 129 -16.253 7.830 -7.310 1031 HA GLU 129 HA GLU 129 -17.625 6.987 -9.616 1032 1HB GLU 129 2HB GLU 129 -14.965 8.307 -9.160 1033 2HB GLU 129 1HB GLU 129 -15.347 7.700 -10.763 1034 1HG GLU 129 2HG GLU 129 -15.920 9.969 -10.801 1035 2HG GLU 129 1HG GLU 129 -17.449 9.109 -10.662 1036 H CYS 130 H CYS 130 -15.014 5.548 -7.835 1037 HA CYS 130 HA CYS 130 -14.305 3.700 -9.953 1038 1HB CYS 130 2HB CYS 130 -13.396 3.785 -7.066 1039 2HB CYS 130 1HB CYS 130 -12.672 2.826 -8.356 1040 HG CYS 130 HG CYS 130 -12.793 6.056 -9.132 1041 H LEU 131 H LEU 131 -16.139 3.654 -6.941 1042 HA LEU 131 HA LEU 131 -16.516 0.763 -7.114 1043 1HB LEU 131 2HB LEU 131 -15.999 1.758 -4.938 1044 2HB LEU 131 1HB LEU 131 -17.427 2.767 -5.042 1045 HG LEU 131 HG LEU 131 -18.864 0.769 -4.928 1046 1HD1 LEU 131 1HD1 LEU 131 -17.916 -1.422 -4.413 1047 2HD1 LEU 131 2HD1 LEU 131 -16.287 -0.768 -4.590 1048 3HD1 LEU 131 3HD1 LEU 131 -17.363 -0.842 -5.985 1049 1HD2 LEU 131 1HD2 LEU 131 -18.411 0.176 -2.590 1050 2HD2 LEU 131 2HD2 LEU 131 -18.271 1.913 -2.861 1051 3HD2 LEU 131 3HD2 LEU 131 -16.818 0.925 -2.710 1052 H LEU 132 H LEU 132 -18.659 3.609 -6.749 1053 HA LEU 132 HA LEU 132 -20.942 1.992 -7.578 1054 1HB LEU 132 2HB LEU 132 -20.789 4.857 -6.616 1055 2HB LEU 132 1HB LEU 132 -22.273 4.018 -7.010 1056 HG LEU 132 HG LEU 132 -22.158 3.970 -4.673 1057 1HD1 LEU 132 1HD1 LEU 132 -21.049 1.321 -5.589 1058 2HD1 LEU 132 2HD1 LEU 132 -22.746 1.806 -5.618 1059 3HD1 LEU 132 3HD1 LEU 132 -21.907 1.629 -4.078 1060 1HD2 LEU 132 1HD2 LEU 132 -20.184 3.265 -3.393 1061 2HD2 LEU 132 2HD2 LEU 132 -19.871 4.695 -4.375 1062 3HD2 LEU 132 3HD2 LEU 132 -19.273 3.121 -4.896 1063 H ALA 133 H ALA 133 -18.785 4.309 -8.881 1064 HA ALA 133 HA ALA 133 -18.580 5.382 -10.852 1065 1HB ALA 133 1HB ALA 133 -19.574 4.406 -12.846 1066 2HB ALA 133 2HB ALA 133 -20.648 3.423 -11.851 1067 3HB ALA 133 3HB ALA 133 -18.906 3.147 -11.808 1068 H GLU 134 H GLU 134 -22.047 4.612 -11.129 1069 HA GLU 134 HA GLU 134 -22.597 7.518 -11.162 1070 1HB GLU 134 2HB GLU 134 -22.891 6.305 -13.349 1071 2HB GLU 134 1HB GLU 134 -24.157 5.348 -12.592 1072 1HG GLU 134 2HG GLU 134 -25.423 7.433 -12.159 1073 2HG GLU 134 1HG GLU 134 -24.175 8.335 -13.016 1074 H ALA 135 H ALA 135 -23.171 4.587 -9.563 1075 HA ALA 135 HA ALA 135 -25.848 5.053 -8.684 1076 1HB ALA 135 1HB ALA 135 -23.745 3.213 -7.535 1077 2HB ALA 135 2HB ALA 135 -24.908 2.797 -8.794 1078 3HB ALA 135 3HB ALA 135 -25.471 3.177 -7.167 1079 H GLU 136 H GLU 136 -25.843 7.148 -7.888 1080 HA GLU 136 HA GLU 136 -25.911 8.708 -6.248 1081 1HB GLU 136 2HB GLU 136 -25.047 6.363 -4.548 1082 2HB GLU 136 1HB GLU 136 -25.276 7.969 -3.874 1083 1HG GLU 136 2HG GLU 136 -27.244 6.680 -3.464 1084 2HG GLU 136 1HG GLU 136 -27.626 7.920 -4.653 Start of MODEL 5 1 1H SER 1 1HT SER 1 -18.559 -7.648 11.018 2 2H SER 1 2HT SER 1 -18.951 -8.015 9.418 3 3H SER 1 3HT SER 1 -19.888 -6.906 10.283 4 HA SER 1 HA SER 1 -18.451 -5.788 8.728 5 1HB SER 1 2HB SER 1 -19.029 -4.788 10.996 6 2HB SER 1 1HB SER 1 -17.452 -5.336 11.558 7 HG SER 1 HG SER 1 -17.762 -3.695 9.258 8 H MET 2 H MET 2 -15.967 -4.848 9.051 9 HA MET 2 HA MET 2 -13.764 -5.218 8.692 10 1HB MET 2 2HB MET 2 -13.923 -6.549 10.849 11 2HB MET 2 1HB MET 2 -14.111 -7.991 9.859 12 1HG MET 2 2HG MET 2 -11.919 -7.577 8.843 13 2HG MET 2 1HG MET 2 -11.734 -6.134 9.838 14 1HE MET 2 1HE MET 2 -9.389 -6.998 10.729 15 2HE MET 2 2HE MET 2 -9.541 -8.441 9.726 16 3HE MET 2 3HE MET 2 -9.140 -8.595 11.436 17 H THR 3 H THR 3 -15.973 -6.028 6.896 18 HA THR 3 HA THR 3 -14.317 -7.039 4.799 19 HB THR 3 HB THR 3 -14.920 -9.203 5.753 20 HG1 THR 3 1HG THR 3 -15.583 -8.403 3.245 21 1HG2 THR 3 1HG2 THR 3 -16.986 -8.571 6.907 22 2HG2 THR 3 2HG2 THR 3 -17.243 -9.965 5.859 23 3HG2 THR 3 3HG2 THR 3 -17.799 -8.371 5.354 24 H GLU 4 H GLU 4 -17.468 -6.130 6.010 25 HA GLU 4 HA GLU 4 -19.142 -4.859 5.216 26 1HB GLU 4 2HB GLU 4 -17.198 -3.543 3.330 27 2HB GLU 4 1HB GLU 4 -18.553 -2.830 4.189 28 1HG GLU 4 2HG GLU 4 -15.880 -3.646 5.302 29 2HG GLU 4 1HG GLU 4 -16.551 -2.024 5.176 30 H GLU 5 H GLU 5 -17.354 -4.833 2.152 31 HA GLU 5 HA GLU 5 -19.654 -6.134 0.858 32 1HB GLU 5 2HB GLU 5 -18.329 -3.546 -0.005 33 2HB GLU 5 1HB GLU 5 -19.502 -4.434 -0.967 34 1HG GLU 5 2HG GLU 5 -20.031 -3.223 1.742 35 2HG GLU 5 1HG GLU 5 -20.486 -2.508 0.196 36 H GLN 6 H GLN 6 -19.203 -7.098 -1.156 37 HA GLN 6 HA GLN 6 -16.646 -8.289 -1.411 38 1HB GLN 6 2HB GLN 6 -18.659 -9.455 -2.121 39 2HB GLN 6 1HB GLN 6 -18.987 -8.220 -3.327 40 1HG GLN 6 2HG GLN 6 -16.898 -8.850 -4.490 41 2HG GLN 6 1HG GLN 6 -16.664 -10.141 -3.313 42 1HE2 GLN 6 1HE2 GLN 6 -18.039 -11.932 -3.350 43 2HE2 GLN 6 2HE2 GLN 6 -19.016 -12.305 -4.726 44 HA PRO 7 HA PRO 7 -16.338 -5.284 -5.364 45 1HB PRO 7 2HB PRO 7 -17.673 -2.942 -4.066 46 2HB PRO 7 1HB PRO 7 -17.665 -3.436 -5.765 47 1HG PRO 7 2HG PRO 7 -19.814 -3.855 -4.270 48 2HG PRO 7 1HG PRO 7 -19.272 -5.093 -5.420 49 1HD PRO 7 2HD PRO 7 -18.939 -4.996 -2.444 50 2HD PRO 7 1HD PRO 7 -19.317 -6.378 -3.490 51 H VAL 8 H VAL 8 -15.377 -2.847 -5.395 52 HA VAL 8 HA VAL 8 -12.858 -3.102 -4.273 53 HB VAL 8 HB VAL 8 -12.445 -0.783 -4.975 54 1HG1 VAL 8 1HG1 VAL 8 -12.944 -1.077 -7.361 55 2HG1 VAL 8 2HG1 VAL 8 -14.067 -2.379 -6.966 56 3HG1 VAL 8 3HG1 VAL 8 -12.345 -2.570 -6.636 57 1HG2 VAL 8 1HG2 VAL 8 -14.242 0.550 -5.985 58 2HG2 VAL 8 2HG2 VAL 8 -14.574 0.210 -4.287 59 3HG2 VAL 8 3HG2 VAL 8 -15.415 -0.693 -5.547 60 H ALA 9 H ALA 9 -15.666 -2.082 -2.662 61 HA ALA 9 HA ALA 9 -14.839 -0.112 -0.908 62 1HB ALA 9 1HB ALA 9 -17.150 -0.919 -1.062 63 2HB ALA 9 2HB ALA 9 -16.579 -0.914 0.607 64 3HB ALA 9 3HB ALA 9 -16.675 -2.432 -0.288 65 H SER 10 H SER 10 -13.801 -3.386 -1.084 66 HA SER 10 HA SER 10 -13.002 -3.923 1.530 67 1HB SER 10 2HB SER 10 -11.735 -4.802 -1.079 68 2HB SER 10 1HB SER 10 -11.382 -5.509 0.498 69 HG SER 10 HG SER 10 -14.069 -5.363 -0.238 70 H TRP 11 H TRP 11 -11.697 -1.625 -0.687 71 HA TRP 11 HA TRP 11 -9.038 -1.416 0.100 72 1HB TRP 11 2HB TRP 11 -10.953 0.833 -0.576 73 2HB TRP 11 1HB TRP 11 -9.206 0.998 -0.481 74 HD1 TRP 11 HD TRP 11 -9.037 -2.025 -2.153 75 HE1 TRP 11 1HE TRP 11 -9.183 -1.806 -4.719 76 HE3 TRP 11 3HE TRP 11 -11.064 2.643 -2.437 77 HZ2 TRP 11 2HZ TRP 11 -10.050 0.117 -6.615 78 HZ3 TRP 11 3HZ TRP 11 -11.522 3.616 -4.638 79 HH2 TRP 11 HH TRP 11 -11.025 2.377 -6.697 80 H ALA 12 H ALA 12 -11.958 -0.217 1.656 81 HA ALA 12 HA ALA 12 -10.605 1.482 3.523 82 1HB ALA 12 1HB ALA 12 -12.807 1.839 4.489 83 2HB ALA 12 2HB ALA 12 -13.457 0.488 3.560 84 3HB ALA 12 3HB ALA 12 -12.889 1.935 2.729 85 H LEU 13 H LEU 13 -10.636 -1.762 3.367 86 HA LEU 13 HA LEU 13 -10.946 -2.275 6.230 87 1HB LEU 13 2HB LEU 13 -10.360 -4.180 3.954 88 2HB LEU 13 1HB LEU 13 -10.702 -4.637 5.614 89 HG LEU 13 HG LEU 13 -12.651 -3.222 3.788 90 1HD1 LEU 13 1HD1 LEU 13 -13.806 -5.367 3.663 91 2HD1 LEU 13 2HD1 LEU 13 -12.522 -6.123 4.609 92 3HD1 LEU 13 3HD1 LEU 13 -12.174 -5.479 3.004 93 1HD2 LEU 13 1HD2 LEU 13 -14.299 -3.796 5.521 94 2HD2 LEU 13 2HD2 LEU 13 -13.042 -2.726 6.139 95 3HD2 LEU 13 3HD2 LEU 13 -13.006 -4.447 6.529 96 H SER 14 H SER 14 -8.496 -2.243 3.695 97 HA SER 14 HA SER 14 -6.391 -2.282 5.683 98 1HB SER 14 2HB SER 14 -6.499 -4.430 3.557 99 2HB SER 14 1HB SER 14 -5.232 -4.213 4.760 100 HG SER 14 HG SER 14 -7.156 -4.409 6.293 101 H PHE 15 H PHE 15 -4.790 -1.029 5.090 102 HA PHE 15 HA PHE 15 -4.991 0.569 2.783 103 1HB PHE 15 2HB PHE 15 -4.001 1.384 4.874 104 2HB PHE 15 1HB PHE 15 -2.675 0.239 4.708 105 HD1 PHE 15 1HD PHE 15 -4.173 2.298 2.005 106 HD2 PHE 15 2HD PHE 15 -0.842 1.707 4.594 107 HE1 PHE 15 1HE PHE 15 -2.900 3.976 0.743 108 HE2 PHE 15 2HE PHE 15 0.435 3.383 3.332 109 HZ PHE 15 HZ PHE 15 -0.594 4.522 1.404 110 H GLU 16 H GLU 16 -2.812 -2.105 3.615 111 HA GLU 16 HA GLU 16 -1.151 -2.076 1.414 112 1HB GLU 16 2HB GLU 16 -0.663 -3.523 3.249 113 2HB GLU 16 1HB GLU 16 -2.189 -4.372 3.080 114 1HG GLU 16 2HG GLU 16 -0.264 -4.466 0.806 115 2HG GLU 16 1HG GLU 16 0.092 -5.412 2.250 116 H ARG 17 H ARG 17 -4.332 -3.641 1.744 117 HA ARG 17 HA ARG 17 -4.335 -4.850 -0.801 118 1HB ARG 17 2HB ARG 17 -6.680 -3.992 0.911 119 2HB ARG 17 1HB ARG 17 -6.793 -5.029 -0.507 120 1HG ARG 17 2HG ARG 17 -5.171 -6.589 0.697 121 2HG ARG 17 1HG ARG 17 -5.500 -5.628 2.142 122 1HD ARG 17 2HD ARG 17 -6.938 -7.601 2.060 123 2HD ARG 17 1HD ARG 17 -7.893 -6.123 1.924 124 HE ARG 17 HE ARG 17 -7.177 -7.151 -0.636 125 1HH1 ARG 17 1HH1 ARG 17 -9.419 -7.671 2.010 126 2HH1 ARG 17 2HH1 ARG 17 -10.651 -8.336 0.985 127 1HH2 ARG 17 1HH2 ARG 17 -8.774 -8.039 -1.961 128 2HH2 ARG 17 2HH2 ARG 17 -10.277 -8.572 -1.268 129 H LEU 18 H LEU 18 -5.413 -1.684 0.309 130 HA LEU 18 HA LEU 18 -6.467 -0.751 -2.156 131 1HB LEU 18 2HB LEU 18 -7.012 0.451 -0.167 132 2HB LEU 18 1HB LEU 18 -5.325 0.626 0.276 133 HG LEU 18 HG LEU 18 -5.052 2.123 -1.751 134 1HD1 LEU 18 1HD1 LEU 18 -7.060 3.146 -2.684 135 2HD1 LEU 18 2HD1 LEU 18 -8.066 2.057 -1.730 136 3HD1 LEU 18 3HD1 LEU 18 -7.019 1.410 -2.994 137 1HD2 LEU 18 1HD2 LEU 18 -5.197 3.028 0.502 138 2HD2 LEU 18 2HD2 LEU 18 -6.960 3.033 0.404 139 3HD2 LEU 18 3HD2 LEU 18 -6.012 4.082 -0.652 140 H LEU 19 H LEU 19 -3.293 -0.684 -0.685 141 HA LEU 19 HA LEU 19 -2.158 1.124 -2.593 142 1HB LEU 19 2HB LEU 19 -1.586 0.947 -0.138 143 2HB LEU 19 1HB LEU 19 -0.755 -0.548 -0.505 144 HG LEU 19 HG LEU 19 0.843 0.629 -1.888 145 1HD1 LEU 19 1HD1 LEU 19 -0.757 3.110 -1.231 146 2HD1 LEU 19 2HD1 LEU 19 -0.584 2.359 -2.818 147 3HD1 LEU 19 3HD1 LEU 19 0.814 3.097 -2.038 148 1HD2 LEU 19 1HD2 LEU 19 0.449 1.984 0.780 149 2HD2 LEU 19 2HD2 LEU 19 1.939 1.988 -0.167 150 3HD2 LEU 19 3HD2 LEU 19 1.319 0.476 0.493 151 H GLN 20 H GLN 20 -2.531 -2.273 -2.349 152 HA GLN 20 HA GLN 20 -0.462 -2.791 -4.364 153 1HB GLN 20 2HB GLN 20 -0.679 -4.257 -2.323 154 2HB GLN 20 1HB GLN 20 -2.244 -4.780 -2.929 155 1HG GLN 20 2HG GLN 20 -0.564 -6.431 -3.451 156 2HG GLN 20 1HG GLN 20 -1.149 -5.684 -4.936 157 1HE2 GLN 20 1HE2 GLN 20 1.108 -4.156 -2.732 158 2HE2 GLN 20 2HE2 GLN 20 2.471 -4.201 -3.789 159 H ASP 21 H ASP 21 -3.656 -1.927 -4.234 160 HA ASP 21 HA ASP 21 -4.639 -3.596 -6.396 161 1HB ASP 21 2HB ASP 21 -6.064 -2.770 -4.456 162 2HB ASP 21 1HB ASP 21 -5.978 -1.165 -5.173 163 HA PRO 22 HA PRO 22 -3.044 -0.954 -9.636 164 1HB PRO 22 2HB PRO 22 -5.445 -1.967 -11.102 165 2HB PRO 22 1HB PRO 22 -3.748 -1.951 -11.600 166 1HG PRO 22 2HG PRO 22 -4.891 -4.217 -10.802 167 2HG PRO 22 1HG PRO 22 -3.223 -3.836 -10.333 168 1HD PRO 22 2HD PRO 22 -5.738 -3.663 -8.716 169 2HD PRO 22 1HD PRO 22 -4.112 -4.181 -8.222 170 H LEU 23 H LEU 23 -6.599 -1.064 -9.301 171 HA LEU 23 HA LEU 23 -6.965 1.611 -10.255 172 1HB LEU 23 2HB LEU 23 -8.823 -0.257 -8.765 173 2HB LEU 23 1HB LEU 23 -9.308 1.298 -9.414 174 HG LEU 23 HG LEU 23 -8.314 -1.037 -11.064 175 1HD1 LEU 23 1HD1 LEU 23 -10.630 -1.213 -11.839 176 2HD1 LEU 23 2HD1 LEU 23 -11.107 0.059 -10.713 177 3HD1 LEU 23 3HD1 LEU 23 -10.510 -1.483 -10.101 178 1HD2 LEU 23 1HD2 LEU 23 -7.762 1.097 -12.092 179 2HD2 LEU 23 2HD2 LEU 23 -9.423 1.653 -11.887 180 3HD2 LEU 23 3HD2 LEU 23 -9.067 0.314 -12.982 181 H GLY 24 H GLY 24 -6.862 0.032 -7.121 182 1HA GLY 24 2HA GLY 24 -7.620 2.115 -5.452 183 2HA GLY 24 1HA GLY 24 -6.506 0.828 -5.011 184 H LEU 25 H LEU 25 -4.271 1.163 -6.185 185 HA LEU 25 HA LEU 25 -3.045 3.348 -4.954 186 1HB LEU 25 2HB LEU 25 -2.132 1.060 -6.044 187 2HB LEU 25 1HB LEU 25 -1.740 2.148 -7.358 188 HG LEU 25 HG LEU 25 -0.717 2.299 -4.513 189 1HD1 LEU 25 1HD1 LEU 25 0.331 0.564 -5.853 190 2HD1 LEU 25 2HD1 LEU 25 1.463 1.877 -5.534 191 3HD1 LEU 25 3HD1 LEU 25 0.699 1.738 -7.118 192 1HD2 LEU 25 1HD2 LEU 25 -0.147 4.174 -6.813 193 2HD2 LEU 25 2HD2 LEU 25 0.656 4.190 -5.242 194 3HD2 LEU 25 3HD2 LEU 25 -1.064 4.561 -5.356 195 H ALA 26 H ALA 26 -4.225 2.905 -8.259 196 HA ALA 26 HA ALA 26 -3.076 5.145 -9.467 197 1HB ALA 26 1HB ALA 26 -4.191 3.364 -10.727 198 2HB ALA 26 2HB ALA 26 -4.831 4.951 -11.157 199 3HB ALA 26 3HB ALA 26 -5.751 3.886 -10.092 200 H TYR 27 H TYR 27 -6.334 4.855 -8.031 201 HA TYR 27 HA TYR 27 -6.859 7.657 -8.357 202 1HB TYR 27 2HB TYR 27 -8.344 5.529 -6.791 203 2HB TYR 27 1HB TYR 27 -8.933 7.167 -7.062 204 HD1 TYR 27 1HD TYR 27 -9.434 3.953 -8.121 205 HD2 TYR 27 2HD TYR 27 -8.619 7.799 -9.764 206 HE1 TYR 27 1HE TYR 27 -10.438 3.254 -10.251 207 HE2 TYR 27 2HE TYR 27 -9.622 7.105 -11.896 208 HH TYR 27 HH TYR 27 -10.124 5.078 -13.131 209 H PHE 28 H PHE 28 -5.659 5.612 -5.797 210 HA PHE 28 HA PHE 28 -5.873 7.401 -3.645 211 1HB PHE 28 2HB PHE 28 -5.393 5.069 -3.250 212 2HB PHE 28 1HB PHE 28 -3.912 5.161 -4.192 213 HD1 PHE 28 1HD PHE 28 -5.488 6.745 -1.197 214 HD2 PHE 28 2HD PHE 28 -1.919 5.343 -3.052 215 HE1 PHE 28 1HE PHE 28 -4.229 7.237 0.856 216 HE2 PHE 28 2HE PHE 28 -0.658 5.835 -1.003 217 HZ PHE 28 HZ PHE 28 -1.811 6.783 0.958 218 H THR 29 H THR 29 -3.267 6.868 -6.003 219 HA THR 29 HA THR 29 -1.557 8.838 -4.848 220 HB THR 29 HB THR 29 -0.696 6.918 -6.218 221 HG1 THR 29 1HG THR 29 -0.003 9.576 -6.983 222 1HG2 THR 29 1HG2 THR 29 -1.717 8.555 -8.552 223 2HG2 THR 29 2HG2 THR 29 -2.323 6.976 -8.051 224 3HG2 THR 29 3HG2 THR 29 -0.678 7.133 -8.666 225 H GLU 30 H GLU 30 -4.157 8.899 -7.167 226 HA GLU 30 HA GLU 30 -3.670 11.354 -8.412 227 1HB GLU 30 2HB GLU 30 -5.482 9.994 -9.200 228 2HB GLU 30 1HB GLU 30 -6.261 10.006 -7.627 229 1HG GLU 30 2HG GLU 30 -7.384 11.433 -9.307 230 2HG GLU 30 1HG GLU 30 -6.878 12.305 -7.863 231 H PHE 31 H PHE 31 -5.646 10.752 -5.481 232 HA PHE 31 HA PHE 31 -5.875 13.506 -4.825 233 1HB PHE 31 2HB PHE 31 -6.250 11.009 -3.160 234 2HB PHE 31 1HB PHE 31 -6.564 12.629 -2.546 235 HD1 PHE 31 1HD PHE 31 -7.788 9.921 -4.623 236 HD2 PHE 31 2HD PHE 31 -8.371 13.998 -3.534 237 HE1 PHE 31 1HE PHE 31 -10.053 9.850 -5.576 238 HE2 PHE 31 2HE PHE 31 -10.639 13.931 -4.482 239 HZ PHE 31 HZ PHE 31 -11.483 11.855 -5.505 240 H LEU 32 H LEU 32 -3.605 10.991 -3.878 241 HA LEU 32 HA LEU 32 -2.309 12.463 -1.837 242 1HB LEU 32 2HB LEU 32 -2.279 9.976 -2.157 243 2HB LEU 32 1HB LEU 32 -1.176 10.209 -3.496 244 HG LEU 32 HG LEU 32 0.558 11.009 -2.020 245 1HD1 LEU 32 1HD1 LEU 32 -1.459 10.801 0.216 246 2HD1 LEU 32 2HD1 LEU 32 -0.826 12.299 -0.470 247 3HD1 LEU 32 3HD1 LEU 32 0.253 11.200 0.387 248 1HD2 LEU 32 1HD2 LEU 32 -0.795 8.574 -0.869 249 2HD2 LEU 32 2HD2 LEU 32 0.889 9.033 -0.625 250 3HD2 LEU 32 3HD2 LEU 32 0.321 8.597 -2.236 251 H LYS 33 H LYS 33 -1.900 12.363 -5.312 252 HA LYS 33 HA LYS 33 0.492 14.021 -5.190 253 1HB LYS 33 2HB LYS 33 0.908 12.932 -7.107 254 2HB LYS 33 1HB LYS 33 -0.724 12.304 -7.178 255 1HG LYS 33 2HG LYS 33 -0.154 15.098 -8.096 256 2HG LYS 33 1HG LYS 33 0.211 13.723 -9.138 257 1HD LYS 33 2HD LYS 33 -2.156 12.982 -8.919 258 2HD LYS 33 1HD LYS 33 -2.492 14.437 -7.978 259 1HE LYS 33 2HE LYS 33 -1.872 15.831 -9.885 260 2HE LYS 33 1HE LYS 33 -1.480 14.393 -10.827 261 1HZ LYS 33 1HZ LYS 33 -3.805 13.705 -10.631 262 2HZ LYS 33 2HZ LYS 33 -3.662 15.208 -11.392 263 3HZ LYS 33 3HZ LYS 33 -4.163 15.122 -9.780 264 H LYS 34 H LYS 34 -2.908 14.330 -5.463 265 HA LYS 34 HA LYS 34 -3.086 16.907 -6.602 266 1HB LYS 34 2HB LYS 34 -4.973 15.289 -6.320 267 2HB LYS 34 1HB LYS 34 -4.953 15.618 -4.594 268 1HG LYS 34 2HG LYS 34 -5.586 17.916 -4.975 269 2HG LYS 34 1HG LYS 34 -5.468 17.694 -6.723 270 1HD LYS 34 2HD LYS 34 -7.429 16.328 -4.865 271 2HD LYS 34 1HD LYS 34 -7.797 17.610 -6.019 272 1HE LYS 34 2HE LYS 34 -6.841 14.817 -6.670 273 2HE LYS 34 1HE LYS 34 -8.459 15.462 -6.932 274 1HZ LYS 34 1HZ LYS 34 -5.987 16.439 -8.256 275 2HZ LYS 34 2HZ LYS 34 -7.550 17.025 -8.527 276 3HZ LYS 34 3HZ LYS 34 -7.150 15.440 -8.968 277 H GLU 35 H GLU 35 -2.666 15.751 -3.305 278 HA GLU 35 HA GLU 35 -2.466 18.449 -2.231 279 1HB GLU 35 2HB GLU 35 -2.033 17.307 -0.086 280 2HB GLU 35 1HB GLU 35 -3.501 16.721 -0.855 281 1HG GLU 35 2HG GLU 35 -2.349 14.728 -1.618 282 2HG GLU 35 1HG GLU 35 -0.829 15.324 -0.954 283 H PHE 36 H PHE 36 -0.496 16.296 -3.822 284 HA PHE 36 HA PHE 36 1.675 16.203 -4.380 285 1HB PHE 36 2HB PHE 36 1.564 18.706 -4.495 286 2HB PHE 36 1HB PHE 36 2.079 18.770 -2.811 287 HD1 PHE 36 1HD PHE 36 4.382 18.421 -2.209 288 HD2 PHE 36 2HD PHE 36 3.108 17.862 -6.236 289 HE1 PHE 36 1HE PHE 36 6.732 18.310 -2.935 290 HE2 PHE 36 2HE PHE 36 5.455 17.756 -6.965 291 HZ PHE 36 HZ PHE 36 7.269 17.980 -5.315 292 H SER 37 H SER 37 1.476 14.361 -2.968 293 HA SER 37 HA SER 37 3.650 14.336 -1.071 294 1HB SER 37 2HB SER 37 0.811 13.683 -0.219 295 2HB SER 37 1HB SER 37 2.244 13.290 0.724 296 HG SER 37 HG SER 37 1.479 15.906 -0.079 297 H ALA 38 H ALA 38 2.517 13.094 -3.677 298 HA ALA 38 HA ALA 38 2.078 10.314 -3.055 299 1HB ALA 38 1HB ALA 38 0.943 11.382 -4.947 300 2HB ALA 38 2HB ALA 38 1.910 10.004 -5.469 301 3HB ALA 38 3HB ALA 38 2.499 11.646 -5.732 302 H GLU 39 H GLU 39 4.752 12.064 -2.921 303 HA GLU 39 HA GLU 39 6.653 10.481 -4.346 304 1HB GLU 39 2HB GLU 39 6.918 12.521 -2.124 305 2HB GLU 39 1HB GLU 39 8.302 11.746 -2.886 306 1HG GLU 39 2HG GLU 39 7.759 14.021 -3.767 307 2HG GLU 39 1HG GLU 39 7.817 12.756 -4.992 308 H ASN 40 H ASN 40 4.916 10.082 -1.500 309 HA ASN 40 HA ASN 40 6.776 8.479 -0.024 310 1HB ASN 40 2HB ASN 40 4.833 8.006 1.425 311 2HB ASN 40 1HB ASN 40 4.989 9.729 1.097 312 1HD2 ASN 40 1HD2 ASN 40 2.614 8.564 1.978 313 2HD2 ASN 40 2HD2 ASN 40 1.438 8.680 0.730 314 H VAL 41 H VAL 41 4.070 7.823 -2.230 315 HA VAL 41 HA VAL 41 4.122 4.995 -1.751 316 HB VAL 41 HB VAL 41 2.510 4.808 -3.611 317 1HG1 VAL 41 1HG1 VAL 41 0.691 6.084 -2.559 318 2HG1 VAL 41 2HG1 VAL 41 1.878 6.994 -1.624 319 3HG1 VAL 41 3HG1 VAL 41 1.695 5.258 -1.367 320 1HG2 VAL 41 1HG2 VAL 41 1.648 6.821 -4.717 321 2HG2 VAL 41 2HG2 VAL 41 3.363 6.589 -5.060 322 3HG2 VAL 41 3HG2 VAL 41 2.855 7.802 -3.884 323 H THR 42 H THR 42 5.526 7.144 -4.173 324 HA THR 42 HA THR 42 6.409 5.037 -5.876 325 HB THR 42 HB THR 42 6.262 7.261 -6.808 326 HG1 THR 42 1HG THR 42 8.446 7.394 -7.669 327 1HG2 THR 42 1HG2 THR 42 7.796 9.063 -6.153 328 2HG2 THR 42 2HG2 THR 42 8.428 8.051 -4.855 329 3HG2 THR 42 3HG2 THR 42 6.749 8.587 -4.817 330 H PHE 43 H PHE 43 7.881 6.795 -3.155 331 HA PHE 43 HA PHE 43 10.342 5.429 -3.108 332 1HB PHE 43 2HB PHE 43 10.113 7.350 -1.704 333 2HB PHE 43 1HB PHE 43 8.673 6.701 -0.925 334 HD1 PHE 43 1HD PHE 43 12.310 5.978 -1.363 335 HD2 PHE 43 2HD PHE 43 8.874 5.658 1.139 336 HE1 PHE 43 1HE PHE 43 13.706 5.052 0.439 337 HE2 PHE 43 2HE PHE 43 10.268 4.732 2.942 338 HZ PHE 43 HZ PHE 43 12.688 4.429 2.592 339 H TRP 44 H TRP 44 7.209 4.700 -1.657 340 HA TRP 44 HA TRP 44 7.861 2.409 -0.216 341 1HB TRP 44 2HB TRP 44 5.728 3.574 0.018 342 2HB TRP 44 1HB TRP 44 5.276 3.137 -1.622 343 HD1 TRP 44 HD TRP 44 5.655 1.606 1.884 344 HE1 TRP 44 1HE TRP 44 4.322 -0.598 1.958 345 HE3 TRP 44 3HE TRP 44 4.351 1.286 -3.048 346 HZ2 TRP 44 2HZ TRP 44 2.901 -2.250 0.156 347 HZ3 TRP 44 3HZ TRP 44 3.000 -0.627 -3.792 348 HH2 TRP 44 HH TRP 44 2.290 -2.363 -2.224 349 H LYS 45 H LYS 45 6.478 2.597 -3.511 350 HA LYS 45 HA LYS 45 6.671 -0.191 -3.975 351 1HB LYS 45 2HB LYS 45 6.119 0.308 -6.300 352 2HB LYS 45 1HB LYS 45 5.082 1.216 -5.210 353 1HG LYS 45 2HG LYS 45 6.320 3.233 -5.606 354 2HG LYS 45 1HG LYS 45 7.530 2.353 -6.536 355 1HD LYS 45 2HD LYS 45 6.025 3.550 -8.024 356 2HD LYS 45 1HD LYS 45 5.835 1.809 -8.226 357 1HE LYS 45 2HE LYS 45 3.829 1.870 -6.805 358 2HE LYS 45 1HE LYS 45 4.022 3.614 -6.614 359 1HZ LYS 45 1HZ LYS 45 3.555 2.198 -9.185 360 2HZ LYS 45 2HZ LYS 45 3.727 3.871 -8.999 361 3HZ LYS 45 3HZ LYS 45 2.398 3.079 -8.320 362 H ALA 46 H ALA 46 8.912 2.447 -4.384 363 HA ALA 46 HA ALA 46 10.735 1.240 -6.157 364 1HB ALA 46 1HB ALA 46 12.380 2.829 -5.278 365 2HB ALA 46 2HB ALA 46 11.308 3.203 -3.927 366 3HB ALA 46 3HB ALA 46 10.831 3.621 -5.572 367 H CYS 47 H CYS 47 10.715 1.346 -2.582 368 HA CYS 47 HA CYS 47 12.884 -0.483 -2.316 369 1HB CYS 47 2HB CYS 47 12.300 1.079 -0.518 370 2HB CYS 47 1HB CYS 47 10.744 0.280 -0.313 371 HG CYS 47 HG CYS 47 12.293 -2.232 0.201 372 H GLU 48 H GLU 48 9.445 -0.815 -2.673 373 HA GLU 48 HA GLU 48 9.155 -3.517 -1.921 374 1HB GLU 48 2HB GLU 48 7.277 -1.929 -2.279 375 2HB GLU 48 1HB GLU 48 7.613 -1.941 -4.002 376 1HG GLU 48 2HG GLU 48 5.721 -3.352 -3.505 377 2HG GLU 48 1HG GLU 48 7.068 -4.326 -4.095 378 H ARG 49 H ARG 49 10.026 -1.953 -4.972 379 HA ARG 49 HA ARG 49 10.314 -4.461 -6.380 380 1HB ARG 49 2HB ARG 49 11.039 -1.624 -7.166 381 2HB ARG 49 1HB ARG 49 11.204 -3.021 -8.229 382 1HG ARG 49 2HG ARG 49 8.723 -3.406 -7.903 383 2HG ARG 49 1HG ARG 49 8.670 -1.826 -7.119 384 1HD ARG 49 2HD ARG 49 9.657 -2.320 -9.932 385 2HD ARG 49 1HD ARG 49 8.029 -1.788 -9.522 386 HE ARG 49 HE ARG 49 10.158 -0.102 -8.516 387 1HH1 ARG 49 1HH1 ARG 49 7.961 -0.741 -11.166 388 2HH1 ARG 49 2HH1 ARG 49 8.032 0.876 -11.790 389 1HH2 ARG 49 1HH2 ARG 49 10.225 2.051 -9.326 390 2HH2 ARG 49 2HH2 ARG 49 9.289 2.462 -10.728 391 H PHE 50 H PHE 50 12.228 -2.525 -4.343 392 HA PHE 50 HA PHE 50 14.809 -3.247 -5.311 393 1HB PHE 50 2HB PHE 50 14.456 -1.250 -3.931 394 2HB PHE 50 1HB PHE 50 13.924 -2.250 -2.587 395 HD1 PHE 50 1HD PHE 50 15.456 -2.846 -0.959 396 HD2 PHE 50 2HD PHE 50 16.874 -1.735 -4.818 397 HE1 PHE 50 1HE PHE 50 17.770 -2.952 -0.136 398 HE2 PHE 50 2HE PHE 50 19.192 -1.841 -4.001 399 HZ PHE 50 HZ PHE 50 19.641 -2.450 -1.656 400 H GLN 51 H GLN 51 12.693 -4.499 -2.738 401 HA GLN 51 HA GLN 51 14.499 -6.568 -1.932 402 1HB GLN 51 2HB GLN 51 12.678 -7.422 -0.598 403 2HB GLN 51 1HB GLN 51 12.682 -5.669 -0.474 404 1HG GLN 51 2HG GLN 51 10.832 -5.503 -2.009 405 2HG GLN 51 1HG GLN 51 10.877 -7.241 -2.305 406 1HE2 GLN 51 1HE2 GLN 51 8.672 -5.651 -1.350 407 2HE2 GLN 51 2HE2 GLN 51 8.240 -6.282 0.198 408 H GLN 52 H GLN 52 12.334 -6.165 -4.528 409 HA GLN 52 HA GLN 52 11.692 -8.852 -5.116 410 1HB GLN 52 2HB GLN 52 10.394 -7.119 -6.114 411 2HB GLN 52 1HB GLN 52 11.812 -6.336 -6.786 412 1HG GLN 52 2HG GLN 52 11.061 -9.089 -7.690 413 2HG GLN 52 1HG GLN 52 10.204 -7.686 -8.322 414 1HE2 GLN 52 1HE2 GLN 52 12.612 -5.987 -8.175 415 2HE2 GLN 52 2HE2 GLN 52 13.604 -6.481 -9.499 416 H ILE 53 H ILE 53 14.545 -6.953 -5.583 417 HA ILE 53 HA ILE 53 15.815 -8.572 -7.548 418 HB ILE 53 HB ILE 53 17.081 -6.806 -5.428 419 1HG1 ILE 53 2HG1 ILE 53 16.350 -6.150 -8.302 420 2HG1 ILE 53 1HG1 ILE 53 15.455 -5.609 -6.886 421 1HG2 ILE 53 1HG2 ILE 53 18.681 -8.370 -6.394 422 2HG2 ILE 53 2HG2 ILE 53 19.016 -6.729 -6.948 423 3HG2 ILE 53 3HG2 ILE 53 18.211 -7.875 -8.021 424 1HD1 ILE 53 1HD1 ILE 53 18.300 -4.891 -7.555 425 2HD1 ILE 53 2HD1 ILE 53 17.405 -4.346 -6.137 426 3HD1 ILE 53 3HD1 ILE 53 16.887 -3.856 -7.750 427 HA PRO 54 HA PRO 54 16.393 -12.040 -4.815 428 1HB PRO 54 2HB PRO 54 17.740 -13.674 -6.475 429 2HB PRO 54 1HB PRO 54 16.043 -13.261 -6.760 430 1HG PRO 54 2HG PRO 54 18.511 -12.089 -8.010 431 2HG PRO 54 1HG PRO 54 17.008 -12.615 -8.794 432 1HD PRO 54 2HD PRO 54 17.533 -10.009 -8.200 433 2HD PRO 54 1HD PRO 54 15.888 -10.678 -8.227 434 H ALA 55 H ALA 55 18.451 -9.782 -4.818 435 HA ALA 55 HA ALA 55 20.359 -9.334 -3.682 436 1HB ALA 55 1HB ALA 55 21.456 -11.024 -2.318 437 2HB ALA 55 2HB ALA 55 20.515 -12.295 -3.100 438 3HB ALA 55 3HB ALA 55 19.706 -11.089 -2.099 439 H SER 56 H SER 56 20.500 -12.109 -5.859 440 HA SER 56 HA SER 56 23.166 -12.355 -6.387 441 1HB SER 56 2HB SER 56 20.994 -12.496 -8.492 442 2HB SER 56 1HB SER 56 22.524 -13.373 -8.472 443 HG SER 56 HG SER 56 20.640 -14.589 -7.764 444 H ASP 57 H ASP 57 20.910 -10.026 -7.821 445 HA ASP 57 HA ASP 57 22.965 -8.858 -9.490 446 1HB ASP 57 2HB ASP 57 20.157 -7.862 -8.929 447 2HB ASP 57 1HB ASP 57 21.227 -7.291 -10.204 448 H THR 58 H THR 58 24.323 -8.519 -7.499 449 HA THR 58 HA THR 58 23.614 -6.653 -5.511 450 HB THR 58 HB THR 58 26.433 -7.273 -6.440 451 HG1 THR 58 1HG THR 58 24.541 -8.896 -5.301 452 1HG2 THR 58 1HG2 THR 58 25.320 -6.459 -3.742 453 2HG2 THR 58 2HG2 THR 58 26.262 -5.432 -4.825 454 3HG2 THR 58 3HG2 THR 58 27.009 -6.847 -4.085 455 H GLN 59 H GLN 59 25.131 -6.322 -8.665 456 HA GLN 59 HA GLN 59 25.854 -3.608 -8.449 457 1HB GLN 59 2HB GLN 59 25.865 -3.645 -10.966 458 2HB GLN 59 1HB GLN 59 26.845 -4.882 -10.200 459 1HG GLN 59 2HG GLN 59 25.809 -5.981 -11.975 460 2HG GLN 59 1HG GLN 59 24.864 -6.454 -10.568 461 1HE2 GLN 59 1HE2 GLN 59 23.086 -6.976 -11.862 462 2HE2 GLN 59 2HE2 GLN 59 22.093 -5.763 -12.591 463 H GLN 60 H GLN 60 22.842 -5.190 -9.365 464 HA GLN 60 HA GLN 60 21.539 -2.797 -10.224 465 1HB GLN 60 2HB GLN 60 20.831 -5.114 -10.905 466 2HB GLN 60 1HB GLN 60 20.238 -5.362 -9.266 467 1HG GLN 60 2HG GLN 60 18.716 -3.423 -9.578 468 2HG GLN 60 1HG GLN 60 19.253 -3.319 -11.253 469 1HE2 GLN 60 1HE2 GLN 60 16.589 -3.765 -10.234 470 2HE2 GLN 60 2HE2 GLN 60 16.067 -5.284 -10.875 471 H LEU 61 H LEU 61 21.776 -4.601 -7.215 472 HA LEU 61 HA LEU 61 19.982 -3.149 -5.643 473 1HB LEU 61 2HB LEU 61 22.609 -4.452 -4.900 474 2HB LEU 61 1HB LEU 61 21.482 -3.804 -3.723 475 HG LEU 61 HG LEU 61 20.822 -6.043 -5.649 476 1HD1 LEU 61 1HD1 LEU 61 22.557 -6.739 -4.069 477 2HD1 LEU 61 2HD1 LEU 61 21.023 -7.537 -3.729 478 3HD1 LEU 61 3HD1 LEU 61 21.558 -6.191 -2.723 479 1HD2 LEU 61 1HD2 LEU 61 18.874 -6.380 -4.211 480 2HD2 LEU 61 2HD2 LEU 61 18.875 -4.757 -4.901 481 3HD2 LEU 61 3HD2 LEU 61 19.353 -5.000 -3.220 482 H ALA 62 H ALA 62 23.392 -2.564 -6.393 483 HA ALA 62 HA ALA 62 23.744 -0.265 -4.810 484 1HB ALA 62 1HB ALA 62 25.720 0.159 -6.191 485 2HB ALA 62 2HB ALA 62 25.159 -1.024 -7.372 486 3HB ALA 62 3HB ALA 62 25.613 -1.547 -5.751 487 H GLN 63 H GLN 63 23.000 -0.581 -8.288 488 HA GLN 63 HA GLN 63 22.814 2.152 -8.867 489 1HB GLN 63 2HB GLN 63 21.319 -0.131 -10.183 490 2HB GLN 63 1HB GLN 63 21.515 1.479 -10.856 491 1HG GLN 63 2HG GLN 63 23.667 -0.571 -10.379 492 2HG GLN 63 1HG GLN 63 23.050 -0.010 -11.930 493 1HE2 GLN 63 1HE2 GLN 63 23.547 2.142 -12.586 494 2HE2 GLN 63 2HE2 GLN 63 24.957 2.940 -11.978 495 H GLU 64 H GLU 64 20.298 -0.150 -7.920 496 HA GLU 64 HA GLU 64 18.108 1.614 -8.154 497 1HB GLU 64 2HB GLU 64 17.943 -0.875 -8.110 498 2HB GLU 64 1HB GLU 64 18.368 -0.850 -6.405 499 1HG GLU 64 2HG GLU 64 16.009 -1.117 -6.570 500 2HG GLU 64 1HG GLU 64 16.324 0.515 -5.980 501 H ALA 65 H ALA 65 19.853 0.439 -5.273 502 HA ALA 65 HA ALA 65 18.497 1.924 -3.351 503 1HB ALA 65 1HB ALA 65 20.022 0.082 -2.806 504 2HB ALA 65 2HB ALA 65 20.420 1.539 -1.896 505 3HB ALA 65 3HB ALA 65 21.398 1.075 -3.291 506 H ARG 66 H ARG 66 21.309 2.776 -5.313 507 HA ARG 66 HA ARG 66 21.883 5.245 -4.065 508 1HB ARG 66 2HB ARG 66 23.400 3.978 -5.632 509 2HB ARG 66 1HB ARG 66 22.383 4.514 -6.963 510 1HG ARG 66 2HG ARG 66 22.889 6.881 -6.252 511 2HG ARG 66 1HG ARG 66 24.087 6.207 -5.145 512 1HD ARG 66 2HD ARG 66 24.037 6.008 -8.154 513 2HD ARG 66 1HD ARG 66 25.219 6.851 -7.152 514 HE ARG 66 HE ARG 66 25.949 4.645 -6.352 515 1HH1 ARG 66 1HH1 ARG 66 24.073 4.780 -9.303 516 2HH1 ARG 66 2HH1 ARG 66 24.720 3.296 -9.926 517 1HH2 ARG 66 1HH2 ARG 66 26.784 2.678 -7.169 518 2HH2 ARG 66 2HH2 ARG 66 26.238 2.095 -8.711 519 H ASN 67 H ASN 67 19.812 4.361 -6.791 520 HA ASN 67 HA ASN 67 19.169 6.980 -7.624 521 1HB ASN 67 2HB ASN 67 18.782 4.950 -9.004 522 2HB ASN 67 1HB ASN 67 17.503 4.458 -7.899 523 1HD2 ASN 67 1HD2 ASN 67 15.531 5.526 -7.952 524 2HD2 ASN 67 2HD2 ASN 67 15.094 6.610 -9.228 525 H ILE 68 H ILE 68 17.414 4.686 -5.554 526 HA ILE 68 HA ILE 68 15.305 6.379 -4.790 527 HB ILE 68 HB ILE 68 16.580 4.193 -3.113 528 1HG1 ILE 68 2HG1 ILE 68 14.310 3.947 -5.116 529 2HG1 ILE 68 1HG1 ILE 68 15.964 3.415 -5.404 530 1HG2 ILE 68 1HG2 ILE 68 15.035 5.599 -1.850 531 2HG2 ILE 68 2HG2 ILE 68 14.355 3.991 -2.088 532 3HG2 ILE 68 3HG2 ILE 68 13.782 5.342 -3.066 533 1HD1 ILE 68 1HD1 ILE 68 14.096 2.340 -3.300 534 2HD1 ILE 68 2HD1 ILE 68 15.762 1.817 -3.559 535 3HD1 ILE 68 3HD1 ILE 68 14.548 1.548 -4.810 536 H TYR 69 H TYR 69 18.505 5.827 -3.449 537 HA TYR 69 HA TYR 69 18.382 7.304 -1.107 538 1HB TYR 69 2HB TYR 69 20.261 5.862 -1.578 539 2HB TYR 69 1HB TYR 69 20.684 6.794 -3.005 540 HD1 TYR 69 1HD TYR 69 20.587 6.901 0.704 541 HD2 TYR 69 2HD TYR 69 22.115 8.676 -2.851 542 HE1 TYR 69 1HE TYR 69 22.149 8.244 2.052 543 HE2 TYR 69 2HE TYR 69 23.675 10.021 -1.518 544 HH TYR 69 HH TYR 69 24.293 9.413 1.780 545 H GLN 70 H GLN 70 19.605 8.380 -4.269 546 HA GLN 70 HA GLN 70 20.177 11.008 -3.441 547 1HB GLN 70 2HB GLN 70 19.759 9.839 -6.198 548 2HB GLN 70 1HB GLN 70 20.335 11.476 -5.912 549 1HG GLN 70 2HG GLN 70 22.320 10.645 -4.828 550 2HG GLN 70 1HG GLN 70 21.728 8.987 -4.931 551 1HE2 GLN 70 1HE2 GLN 70 23.071 11.668 -6.689 552 2HE2 GLN 70 2HE2 GLN 70 23.482 10.790 -8.122 553 H GLU 71 H GLU 71 17.201 9.567 -4.562 554 HA GLU 71 HA GLU 71 16.141 12.173 -5.326 555 1HB GLU 71 2HB GLU 71 15.862 10.185 -6.808 556 2HB GLU 71 1HB GLU 71 14.827 9.463 -5.586 557 1HG GLU 71 2HG GLU 71 13.141 11.076 -5.904 558 2HG GLU 71 1HG GLU 71 14.218 12.146 -6.799 559 H PHE 72 H PHE 72 15.579 9.700 -2.855 560 HA PHE 72 HA PHE 72 13.424 11.414 -1.755 561 1HB PHE 72 2HB PHE 72 13.745 8.426 -1.386 562 2HB PHE 72 1HB PHE 72 12.400 9.414 -0.832 563 HD1 PHE 72 1HD PHE 72 10.989 10.597 -2.620 564 HD2 PHE 72 2HD PHE 72 13.684 7.405 -3.473 565 HE1 PHE 72 1HE PHE 72 9.798 10.152 -4.725 566 HE2 PHE 72 2HE PHE 72 12.495 6.963 -5.579 567 HZ PHE 72 HZ PHE 72 10.551 8.335 -6.205 568 H LEU 73 H LEU 73 16.467 9.919 -1.082 569 HA LEU 73 HA LEU 73 15.929 9.999 1.816 570 1HB LEU 73 2HB LEU 73 17.784 8.196 0.267 571 2HB LEU 73 1HB LEU 73 17.526 8.146 2.001 572 HG LEU 73 HG LEU 73 15.264 7.731 0.044 573 1HD1 LEU 73 1HD1 LEU 73 15.531 5.328 0.324 574 2HD1 LEU 73 2HD1 LEU 73 16.993 5.584 1.273 575 3HD1 LEU 73 3HD1 LEU 73 16.960 6.033 -0.431 576 1HD2 LEU 73 1HD2 LEU 73 14.215 6.626 1.970 577 2HD2 LEU 73 2HD2 LEU 73 14.620 8.307 2.312 578 3HD2 LEU 73 3HD2 LEU 73 15.630 7.010 2.954 579 H SER 74 H SER 74 17.964 11.317 -0.625 580 HA SER 74 HA SER 74 20.339 11.617 0.904 581 1HB SER 74 2HB SER 74 20.972 13.297 -0.816 582 2HB SER 74 1HB SER 74 20.381 11.796 -1.531 583 HG SER 74 HG SER 74 19.098 13.089 -2.576 584 H SER 75 H SER 75 21.234 13.741 1.612 585 HA SER 75 HA SER 75 19.747 14.869 3.639 586 1HB SER 75 2HB SER 75 22.029 16.149 2.111 587 2HB SER 75 1HB SER 75 21.460 16.643 3.705 588 HG SER 75 HG SER 75 21.871 14.125 3.985 589 H GLN 76 H GLN 76 19.873 15.824 0.268 590 HA GLN 76 HA GLN 76 18.028 18.046 0.828 591 1HB GLN 76 2HB GLN 76 19.656 17.489 -1.667 592 2HB GLN 76 1HB GLN 76 18.590 18.869 -1.431 593 1HG GLN 76 2HG GLN 76 20.018 19.572 0.482 594 2HG GLN 76 1HG GLN 76 21.123 18.259 0.086 595 1HE2 GLN 76 1HE2 GLN 76 20.731 18.612 -2.817 596 2HE2 GLN 76 2HE2 GLN 76 21.613 20.039 -3.233 597 H ALA 77 H ALA 77 18.564 15.734 -1.829 598 HA ALA 77 HA ALA 77 17.177 14.442 -3.061 599 1HB ALA 77 1HB ALA 77 15.188 13.503 -1.997 600 2HB ALA 77 2HB ALA 77 15.311 14.688 -0.696 601 3HB ALA 77 3HB ALA 77 16.569 13.466 -0.900 602 H LEU 78 H LEU 78 14.873 14.383 -4.047 603 HA LEU 78 HA LEU 78 14.176 17.076 -4.883 604 1HB LEU 78 2HB LEU 78 13.161 14.346 -5.703 605 2HB LEU 78 1HB LEU 78 12.468 15.838 -6.310 606 HG LEU 78 HG LEU 78 14.716 16.432 -7.251 607 1HD1 LEU 78 1HD1 LEU 78 15.419 13.598 -6.482 608 2HD1 LEU 78 2HD1 LEU 78 16.136 15.070 -5.824 609 3HD1 LEU 78 3HD1 LEU 78 16.384 14.652 -7.518 610 1HD2 LEU 78 1HD2 LEU 78 14.562 14.895 -9.154 611 2HD2 LEU 78 2HD2 LEU 78 12.975 15.479 -8.657 612 3HD2 LEU 78 3HD2 LEU 78 13.490 13.849 -8.221 613 H SER 79 H SER 79 12.840 14.416 -3.043 614 HA SER 79 HA SER 79 11.205 16.264 -1.532 615 1HB SER 79 2HB SER 79 9.929 13.853 -2.870 616 2HB SER 79 1HB SER 79 9.129 15.009 -1.804 617 HG SER 79 HG SER 79 10.169 16.485 -3.649 618 HA PRO 80 HA PRO 80 13.470 13.197 1.016 619 1HB PRO 80 2HB PRO 80 13.382 14.759 3.289 620 2HB PRO 80 1HB PRO 80 14.641 14.866 2.053 621 1HG PRO 80 2HG PRO 80 12.203 16.567 2.426 622 2HG PRO 80 1HG PRO 80 13.855 17.055 2.003 623 1HD PRO 80 2HD PRO 80 11.922 16.879 0.144 624 2HD PRO 80 1HD PRO 80 13.603 16.436 -0.221 625 H VAL 81 H VAL 81 12.391 11.519 1.781 626 HA VAL 81 HA VAL 81 9.667 11.719 2.691 627 HB VAL 81 HB VAL 81 9.885 9.254 3.082 628 1HG1 VAL 81 1HG1 VAL 81 9.041 10.123 0.965 629 2HG1 VAL 81 2HG1 VAL 81 10.004 8.671 0.694 630 3HG1 VAL 81 3HG1 VAL 81 10.688 10.260 0.346 631 1HG2 VAL 81 1HG2 VAL 81 11.876 8.108 2.189 632 2HG2 VAL 81 2HG2 VAL 81 12.262 9.125 3.579 633 3HG2 VAL 81 3HG2 VAL 81 12.653 9.673 1.947 634 H ASN 82 H ASN 82 12.534 12.241 4.205 635 HA ASN 82 HA ASN 82 13.037 12.835 6.329 636 1HB ASN 82 2HB ASN 82 10.808 13.780 6.536 637 2HB ASN 82 1HB ASN 82 10.131 12.196 6.895 638 1HD2 ASN 82 1HD2 ASN 82 12.118 14.803 8.100 639 2HD2 ASN 82 2HD2 ASN 82 12.027 14.364 9.771 640 H ILE 83 H ILE 83 10.712 10.230 7.004 641 HA ILE 83 HA ILE 83 10.865 8.499 8.488 642 HB ILE 83 HB ILE 83 12.269 6.659 7.699 643 1HG1 ILE 83 2HG1 ILE 83 13.476 8.668 5.774 644 2HG1 ILE 83 1HG1 ILE 83 14.312 7.938 7.140 645 1HG2 ILE 83 1HG2 ILE 83 10.165 7.112 6.574 646 2HG2 ILE 83 2HG2 ILE 83 11.355 6.479 5.438 647 3HG2 ILE 83 3HG2 ILE 83 10.979 8.203 5.450 648 1HD1 ILE 83 1HD1 ILE 83 13.252 6.473 4.728 649 2HD1 ILE 83 2HD1 ILE 83 14.082 5.738 6.100 650 3HD1 ILE 83 3HD1 ILE 83 14.938 6.871 5.057 651 H ASP 84 H ASP 84 13.361 6.948 9.023 652 HA ASP 84 HA ASP 84 14.092 8.437 11.412 653 1HB ASP 84 2HB ASP 84 15.094 6.319 12.144 654 2HB ASP 84 1HB ASP 84 13.449 6.057 11.570 655 H ARG 85 H ARG 85 15.160 9.497 8.945 656 HA ARG 85 HA ARG 85 17.777 8.574 8.436 657 1HB ARG 85 2HB ARG 85 16.532 11.263 7.864 658 2HB ARG 85 1HB ARG 85 18.118 10.770 7.285 659 1HG ARG 85 2HG ARG 85 17.032 8.877 6.091 660 2HG ARG 85 1HG ARG 85 15.466 9.523 6.584 661 1HD ARG 85 2HD ARG 85 17.523 10.834 4.809 662 2HD ARG 85 1HD ARG 85 15.910 10.284 4.358 663 HE ARG 85 HE ARG 85 15.416 12.112 6.300 664 1HH1 ARG 85 1HH1 ARG 85 17.296 12.187 3.351 665 2HH1 ARG 85 2HH1 ARG 85 17.065 13.881 3.080 666 1HH2 ARG 85 1HH2 ARG 85 15.112 14.361 5.972 667 2HH2 ARG 85 2HH2 ARG 85 15.826 15.130 4.592 668 H GLN 86 H GLN 86 16.607 10.266 11.103 669 HA GLN 86 HA GLN 86 18.783 11.888 11.816 670 1HB GLN 86 2HB GLN 86 16.914 10.327 13.617 671 2HB GLN 86 1HB GLN 86 17.975 11.629 14.143 672 1HG GLN 86 2HG GLN 86 16.766 13.192 12.688 673 2HG GLN 86 1HG GLN 86 15.692 11.887 12.188 674 1HE2 GLN 86 1HE2 GLN 86 15.093 14.404 13.527 675 2HE2 GLN 86 2HE2 GLN 86 14.291 13.985 15.001 676 H ALA 87 H ALA 87 18.394 8.478 11.769 677 HA ALA 87 HA ALA 87 21.199 8.122 12.491 678 1HB ALA 87 1HB ALA 87 20.689 6.218 13.967 679 2HB ALA 87 2HB ALA 87 18.965 6.545 13.793 680 3HB ALA 87 3HB ALA 87 20.008 7.719 14.597 681 H TRP 88 H TRP 88 20.846 8.059 10.060 682 HA TRP 88 HA TRP 88 19.512 5.672 9.068 683 1HB TRP 88 2HB TRP 88 19.481 8.198 8.134 684 2HB TRP 88 1HB TRP 88 20.821 7.569 7.183 685 HD1 TRP 88 HD TRP 88 17.300 6.184 8.095 686 HE1 TRP 88 1HE TRP 88 16.250 5.234 5.948 687 HE3 TRP 88 3HE TRP 88 21.060 7.256 4.825 688 HZ2 TRP 88 2HZ TRP 88 16.933 4.973 3.227 689 HZ3 TRP 88 3HZ TRP 88 20.788 6.628 2.467 690 HH2 TRP 88 HH TRP 88 18.774 5.513 1.684 691 H LEU 89 H LEU 89 20.789 4.938 6.851 692 HA LEU 89 HA LEU 89 23.507 4.170 7.682 693 1HB LEU 89 2HB LEU 89 23.082 1.833 7.253 694 2HB LEU 89 1HB LEU 89 21.929 2.413 8.437 695 HG LEU 89 HG LEU 89 21.296 2.018 5.499 696 1HD1 LEU 89 1HD1 LEU 89 20.086 0.012 6.189 697 2HD1 LEU 89 2HD1 LEU 89 20.656 0.231 7.845 698 3HD1 LEU 89 3HD1 LEU 89 21.807 -0.119 6.554 699 1HD2 LEU 89 1HD2 LEU 89 19.480 2.515 7.863 700 2HD2 LEU 89 2HD2 LEU 89 18.960 2.198 6.208 701 3HD2 LEU 89 3HD2 LEU 89 19.856 3.669 6.584 702 H GLY 90 H GLY 90 22.605 6.022 5.648 703 1HA GLY 90 2HA GLY 90 22.332 4.866 3.096 704 2HA GLY 90 1HA GLY 90 22.823 6.521 3.420 705 H GLU 91 H GLU 91 25.184 6.460 4.475 706 HA GLU 91 HA GLU 91 26.858 5.949 2.292 707 1HB GLU 91 2HB GLU 91 27.579 6.424 5.195 708 2HB GLU 91 1HB GLU 91 28.740 6.415 3.877 709 1HG GLU 91 2HG GLU 91 28.233 8.683 4.386 710 2HG GLU 91 1HG GLU 91 27.484 8.303 2.838 711 H GLU 92 H GLU 92 25.691 3.813 4.667 712 HA GLU 92 HA GLU 92 27.853 1.898 4.416 713 1HB GLU 92 2HB GLU 92 26.614 2.148 6.551 714 2HB GLU 92 1HB GLU 92 25.143 1.616 5.748 715 1HG GLU 92 2HG GLU 92 26.149 -0.564 5.315 716 2HG GLU 92 1HG GLU 92 27.649 -0.032 6.073 717 H VAL 93 H VAL 93 24.442 2.186 3.413 718 HA VAL 93 HA VAL 93 24.323 -0.366 2.202 719 HB VAL 93 HB VAL 93 22.295 0.851 2.911 720 1HG1 VAL 93 1HG1 VAL 93 22.813 2.615 0.512 721 2HG1 VAL 93 2HG1 VAL 93 22.883 3.103 2.206 722 3HG1 VAL 93 3HG1 VAL 93 21.346 2.617 1.494 723 1HG2 VAL 93 1HG2 VAL 93 22.320 0.120 -0.024 724 2HG2 VAL 93 2HG2 VAL 93 20.886 0.243 0.997 725 3HG2 VAL 93 3HG2 VAL 93 22.099 -0.994 1.326 726 H LEU 94 H LEU 94 25.301 2.777 0.970 727 HA LEU 94 HA LEU 94 25.254 2.122 -1.781 728 1HB LEU 94 2HB LEU 94 26.709 4.191 -0.170 729 2HB LEU 94 1HB LEU 94 27.148 3.947 -1.848 730 HG LEU 94 HG LEU 94 25.632 5.769 -1.808 731 1HD1 LEU 94 1HD1 LEU 94 23.776 4.985 -3.157 732 2HD1 LEU 94 2HD1 LEU 94 24.061 3.328 -2.626 733 3HD1 LEU 94 3HD1 LEU 94 25.264 4.157 -3.614 734 1HD2 LEU 94 1HD2 LEU 94 23.744 4.058 -0.191 735 2HD2 LEU 94 2HD2 LEU 94 23.407 5.679 -0.798 736 3HD2 LEU 94 3HD2 LEU 94 24.672 5.434 0.406 737 H ALA 95 H ALA 95 27.504 1.417 0.764 738 HA ALA 95 HA ALA 95 29.506 0.401 -1.116 739 1HB ALA 95 1HB ALA 95 29.573 0.570 1.901 740 2HB ALA 95 2HB ALA 95 30.287 1.730 0.781 741 3HB ALA 95 3HB ALA 95 30.914 0.084 0.861 742 H GLU 96 H GLU 96 27.134 -0.701 1.194 743 HA GLU 96 HA GLU 96 27.649 -3.492 0.412 744 1HB GLU 96 2HB GLU 96 27.257 -2.358 3.180 745 2HB GLU 96 1HB GLU 96 26.869 -4.034 2.827 746 1HG GLU 96 2HG GLU 96 29.577 -2.854 2.260 747 2HG GLU 96 1HG GLU 96 29.153 -3.561 3.820 748 HA PRO 97 HA PRO 97 23.195 -2.471 -0.156 749 1HB PRO 97 2HB PRO 97 22.931 -3.183 -2.720 750 2HB PRO 97 1HB PRO 97 23.632 -1.621 -2.268 751 1HG PRO 97 2HG PRO 97 25.001 -4.122 -3.173 752 2HG PRO 97 1HG PRO 97 25.386 -2.433 -3.550 753 1HD PRO 97 2HD PRO 97 26.674 -3.978 -1.625 754 2HD PRO 97 1HD PRO 97 26.687 -2.205 -1.688 755 H ARG 98 H ARG 98 21.524 -3.852 0.015 756 HA ARG 98 HA ARG 98 21.639 -6.584 -0.872 757 1HB ARG 98 2HB ARG 98 21.390 -7.631 1.298 758 2HB ARG 98 1HB ARG 98 22.851 -6.654 1.330 759 1HG ARG 98 2HG ARG 98 21.401 -4.831 2.401 760 2HG ARG 98 1HG ARG 98 20.207 -6.104 2.640 761 1HD ARG 98 2HD ARG 98 23.044 -6.170 3.672 762 2HD ARG 98 1HD ARG 98 21.628 -5.740 4.626 763 HE ARG 98 HE ARG 98 22.303 -8.414 3.607 764 1HH1 ARG 98 1HH1 ARG 98 20.199 -6.372 5.516 765 2HH1 ARG 98 2HH1 ARG 98 19.522 -7.689 6.416 766 1HH2 ARG 98 1HH2 ARG 98 21.427 -10.155 4.800 767 2HH2 ARG 98 2HH2 ARG 98 20.239 -9.836 6.028 768 HA PRO 99 HA PRO 99 17.353 -5.689 -1.347 769 1HB PRO 99 2HB PRO 99 16.214 -8.161 -0.967 770 2HB PRO 99 1HB PRO 99 17.054 -7.689 -2.445 771 1HG PRO 99 2HG PRO 99 18.074 -9.269 -0.109 772 2HG PRO 99 1HG PRO 99 18.291 -9.571 -1.846 773 1HD PRO 99 2HD PRO 99 20.229 -8.441 -0.371 774 2HD PRO 99 1HD PRO 99 19.938 -7.942 -2.051 775 H ASP 100 H ASP 100 18.634 -6.915 1.546 776 HA ASP 100 HA ASP 100 16.175 -6.341 3.068 777 1HB ASP 100 2HB ASP 100 17.297 -8.588 3.341 778 2HB ASP 100 1HB ASP 100 18.684 -7.751 4.022 779 H MET 101 H MET 101 16.581 -4.045 2.738 780 HA MET 101 HA MET 101 18.438 -2.979 4.747 781 1HB MET 101 2HB MET 101 18.394 -2.322 1.829 782 2HB MET 101 1HB MET 101 18.741 -1.027 2.965 783 1HG MET 101 2HG MET 101 20.265 -3.613 2.746 784 2HG MET 101 1HG MET 101 20.773 -2.058 2.089 785 1HE MET 101 1HE MET 101 23.095 -2.033 3.333 786 2HE MET 101 2HE MET 101 22.738 -3.661 3.911 787 3HE MET 101 3HE MET 101 23.288 -2.424 5.042 788 H PHE 102 H PHE 102 16.255 -1.575 2.308 789 HA PHE 102 HA PHE 102 15.393 0.380 4.275 790 1HB PHE 102 2HB PHE 102 14.531 0.131 1.384 791 2HB PHE 102 1HB PHE 102 14.339 1.535 2.424 792 HD1 PHE 102 1HD PHE 102 17.085 1.608 3.657 793 HD2 PHE 102 2HD PHE 102 15.808 0.984 -0.363 794 HE1 PHE 102 1HE PHE 102 19.221 2.508 2.836 795 HE2 PHE 102 2HE PHE 102 17.943 1.880 -1.185 796 HZ PHE 102 HZ PHE 102 19.655 2.644 0.414 797 H ARG 103 H ARG 103 14.416 -2.619 4.046 798 HA ARG 103 HA ARG 103 11.755 -2.645 3.225 799 1HB ARG 103 2HB ARG 103 11.526 -4.697 4.668 800 2HB ARG 103 1HB ARG 103 12.837 -4.732 3.499 801 1HG ARG 103 2HG ARG 103 14.462 -4.296 5.216 802 2HG ARG 103 1HG ARG 103 13.189 -4.049 6.414 803 1HD ARG 103 2HD ARG 103 12.546 -6.349 6.314 804 2HD ARG 103 1HD ARG 103 13.585 -6.639 4.918 805 HE ARG 103 HE ARG 103 15.491 -6.194 6.445 806 1HH1 ARG 103 1HH1 ARG 103 12.421 -7.199 7.812 807 2HH1 ARG 103 2HH1 ARG 103 13.159 -7.994 9.168 808 1HH2 ARG 103 1HH2 ARG 103 16.444 -7.228 8.212 809 2HH2 ARG 103 2HH2 ARG 103 15.446 -7.994 9.410 810 H ALA 104 H ALA 104 13.002 -2.194 6.559 811 HA ALA 104 HA ALA 104 10.426 -1.975 7.734 812 1HB ALA 104 1HB ALA 104 11.593 -1.148 9.716 813 2HB ALA 104 2HB ALA 104 13.069 -0.941 8.772 814 3HB ALA 104 3HB ALA 104 12.416 -2.556 9.042 815 H GLN 105 H GLN 105 12.542 0.282 6.162 816 HA GLN 105 HA GLN 105 11.189 2.646 7.119 817 1HB GLN 105 2HB GLN 105 13.265 2.264 4.944 818 2HB GLN 105 1HB GLN 105 12.726 3.822 5.569 819 1HG GLN 105 2HG GLN 105 13.630 3.365 7.725 820 2HG GLN 105 1HG GLN 105 13.950 1.686 7.302 821 1HE2 GLN 105 1HE2 GLN 105 15.736 3.772 8.301 822 2HE2 GLN 105 2HE2 GLN 105 17.021 3.870 7.145 823 H GLN 106 H GLN 106 11.078 0.545 4.359 824 HA GLN 106 HA GLN 106 9.344 2.087 2.728 825 1HB GLN 106 2HB GLN 106 10.570 0.294 1.725 826 2HB GLN 106 1HB GLN 106 9.984 -0.867 2.901 827 1HG GLN 106 2HG GLN 106 7.917 0.430 1.233 828 2HG GLN 106 1HG GLN 106 9.034 -0.639 0.388 829 1HE2 GLN 106 1HE2 GLN 106 6.217 -1.027 0.793 830 2HE2 GLN 106 2HE2 GLN 106 6.033 -2.498 1.679 831 H LEU 107 H LEU 107 8.885 -0.405 5.185 832 HA LEU 107 HA LEU 107 6.035 -0.300 5.137 833 1HB LEU 107 2HB LEU 107 7.421 -2.222 5.991 834 2HB LEU 107 1HB LEU 107 7.815 -1.241 7.391 835 HG LEU 107 HG LEU 107 5.356 -1.117 7.908 836 1HD1 LEU 107 1HD1 LEU 107 5.160 -3.204 5.734 837 2HD1 LEU 107 2HD1 LEU 107 4.470 -1.580 5.699 838 3HD1 LEU 107 3HD1 LEU 107 3.872 -2.766 6.859 839 1HD2 LEU 107 1HD2 LEU 107 6.816 -2.676 9.086 840 2HD2 LEU 107 2HD2 LEU 107 6.581 -3.879 7.819 841 3HD2 LEU 107 3HD2 LEU 107 5.222 -3.386 8.831 842 H GLN 108 H GLN 108 8.543 1.530 6.713 843 HA GLN 108 HA GLN 108 7.006 2.745 8.744 844 1HB GLN 108 2HB GLN 108 9.470 2.845 8.709 845 2HB GLN 108 1HB GLN 108 9.416 3.849 7.267 846 1HG GLN 108 2HG GLN 108 9.846 5.191 9.246 847 2HG GLN 108 1HG GLN 108 8.294 5.620 8.524 848 1HE2 GLN 108 1HE2 GLN 108 7.487 6.475 10.429 849 2HE2 GLN 108 2HE2 GLN 108 7.040 5.493 11.780 850 H ILE 109 H ILE 109 7.804 3.836 5.443 851 HA ILE 109 HA ILE 109 6.256 6.172 5.439 852 HB ILE 109 HB ILE 109 7.780 4.737 3.543 853 1HG1 ILE 109 2HG1 ILE 109 7.653 6.824 2.228 854 2HG1 ILE 109 1HG1 ILE 109 6.288 7.357 3.203 855 1HG2 ILE 109 1HG2 ILE 109 6.445 4.806 1.496 856 2HG2 ILE 109 2HG2 ILE 109 5.024 5.255 2.438 857 3HG2 ILE 109 3HG2 ILE 109 5.774 3.676 2.675 858 1HD1 ILE 109 1HD1 ILE 109 9.086 6.876 4.202 859 2HD1 ILE 109 2HD1 ILE 109 7.720 7.426 5.174 860 3HD1 ILE 109 3HD1 ILE 109 8.347 8.444 3.878 861 H PHE 110 H PHE 110 5.482 2.855 4.622 862 HA PHE 110 HA PHE 110 2.808 3.097 3.894 863 1HB PHE 110 2HB PHE 110 4.149 1.019 3.705 864 2HB PHE 110 1HB PHE 110 4.120 0.845 5.453 865 HD1 PHE 110 1HD PHE 110 2.270 0.418 2.357 866 HD2 PHE 110 2HD PHE 110 2.021 0.230 6.608 867 HE1 PHE 110 1HE PHE 110 0.190 -0.880 2.177 868 HE2 PHE 110 2HE PHE 110 -0.061 -1.070 6.427 869 HZ PHE 110 HZ PHE 110 -0.977 -1.625 4.210 870 H ASN 111 H ASN 111 4.209 2.597 7.123 871 HA ASN 111 HA ASN 111 1.692 2.580 8.471 872 1HB ASN 111 2HB ASN 111 4.524 2.815 9.512 873 2HB ASN 111 1HB ASN 111 3.112 2.721 10.557 874 1HD2 ASN 111 1HD2 ASN 111 5.350 0.898 10.396 875 2HD2 ASN 111 2HD2 ASN 111 4.700 -0.645 9.970 876 H LEU 112 H LEU 112 3.768 5.060 7.371 877 HA LEU 112 HA LEU 112 2.975 7.076 9.248 878 1HB LEU 112 2HB LEU 112 5.098 7.195 8.008 879 2HB LEU 112 1HB LEU 112 4.215 7.326 6.499 880 HG LEU 112 HG LEU 112 3.283 9.498 7.250 881 1HD1 LEU 112 1HD1 LEU 112 4.217 10.611 9.215 882 2HD1 LEU 112 2HD1 LEU 112 5.122 9.152 9.618 883 3HD1 LEU 112 3HD1 LEU 112 3.358 9.137 9.658 884 1HD2 LEU 112 1HD2 LEU 112 6.300 9.340 7.324 885 2HD2 LEU 112 2HD2 LEU 112 5.347 10.790 7.008 886 3HD2 LEU 112 3HD2 LEU 112 5.302 9.443 5.873 887 H MET 113 H MET 113 2.222 6.526 5.805 888 HA MET 113 HA MET 113 0.050 8.418 5.841 889 1HB MET 113 2HB MET 113 -0.357 7.596 3.509 890 2HB MET 113 1HB MET 113 1.268 8.200 3.791 891 1HG MET 113 2HG MET 113 2.086 5.903 3.998 892 2HG MET 113 1HG MET 113 0.455 5.301 3.704 893 1HE MET 113 1HE MET 113 1.676 3.783 1.773 894 2HE MET 113 2HE MET 113 3.221 4.591 2.040 895 3HE MET 113 3HE MET 113 2.548 4.490 0.414 896 H LYS 114 H LYS 114 0.376 5.272 6.876 897 HA LYS 114 HA LYS 114 -1.971 3.955 6.237 898 1HB LYS 114 2HB LYS 114 -0.074 2.985 7.509 899 2HB LYS 114 1HB LYS 114 -0.516 3.964 8.899 900 1HG LYS 114 2HG LYS 114 -2.724 2.754 8.926 901 2HG LYS 114 1HG LYS 114 -2.065 1.673 7.693 902 1HD LYS 114 2HD LYS 114 -0.225 1.072 9.222 903 2HD LYS 114 1HD LYS 114 -0.907 2.135 10.454 904 1HE LYS 114 2HE LYS 114 -1.604 -0.048 11.027 905 2HE LYS 114 1HE LYS 114 -3.014 0.726 10.309 906 1HZ LYS 114 1HZ LYS 114 -2.531 -0.417 8.232 907 2HZ LYS 114 2HZ LYS 114 -2.723 -1.526 9.493 908 3HZ LYS 114 3HZ LYS 114 -1.174 -1.152 8.929 909 H PHE 115 H PHE 115 -1.390 6.417 8.717 910 HA PHE 115 HA PHE 115 -4.241 6.320 9.460 911 1HB PHE 115 2HB PHE 115 -3.561 7.433 11.560 912 2HB PHE 115 1HB PHE 115 -2.739 5.897 11.332 913 HD1 PHE 115 1HD PHE 115 -0.352 5.798 11.001 914 HD2 PHE 115 2HD PHE 115 -2.330 9.555 11.377 915 HE1 PHE 115 1HE PHE 115 1.818 6.908 11.335 916 HE2 PHE 115 2HE PHE 115 -0.161 10.666 11.707 917 HZ PHE 115 HZ PHE 115 1.917 9.343 11.685 918 H ASP 116 H ASP 116 -2.891 7.806 7.162 919 HA ASP 116 HA ASP 116 -4.028 10.442 7.772 920 1HB ASP 116 2HB ASP 116 -1.677 10.789 8.190 921 2HB ASP 116 1HB ASP 116 -1.234 9.986 6.687 922 H SER 117 H SER 117 -2.070 9.454 4.999 923 HA SER 117 HA SER 117 -3.803 10.548 3.111 924 1HB SER 117 2HB SER 117 -1.862 8.281 2.596 925 2HB SER 117 1HB SER 117 -2.388 9.529 1.464 926 HG SER 117 HG SER 117 -1.414 10.863 3.458 927 H TYR 118 H TYR 118 -3.472 7.232 4.286 928 HA TYR 118 HA TYR 118 -5.401 6.008 2.645 929 1HB TYR 118 2HB TYR 118 -3.907 4.618 3.875 930 2HB TYR 118 1HB TYR 118 -4.337 5.377 5.402 931 HD1 TYR 118 1HD TYR 118 -5.882 3.342 2.651 932 HD2 TYR 118 2HD TYR 118 -5.831 4.293 6.803 933 HE1 TYR 118 1HE TYR 118 -7.504 1.544 3.082 934 HE2 TYR 118 2HE TYR 118 -7.454 2.503 7.240 935 HH TYR 118 HH TYR 118 -9.216 1.250 5.944 936 H ALA 119 H ALA 119 -5.672 7.374 5.917 937 HA ALA 119 HA ALA 119 -8.431 6.861 6.237 938 1HB ALA 119 1HB ALA 119 -6.729 8.951 7.602 939 2HB ALA 119 2HB ALA 119 -6.928 7.278 8.124 940 3HB ALA 119 3HB ALA 119 -8.307 8.377 8.146 941 H ARG 120 H ARG 120 -6.711 9.362 4.594 942 HA ARG 120 HA ARG 120 -8.945 11.203 4.527 943 1HB ARG 120 2HB ARG 120 -6.673 12.070 4.655 944 2HB ARG 120 1HB ARG 120 -6.240 11.247 3.164 945 1HG ARG 120 2HG ARG 120 -7.452 12.737 1.842 946 2HG ARG 120 1HG ARG 120 -8.436 13.292 3.199 947 1HD ARG 120 2HD ARG 120 -6.783 14.977 2.505 948 2HD ARG 120 1HD ARG 120 -6.526 14.439 4.162 949 HE ARG 120 HE ARG 120 -4.835 13.800 1.832 950 1HH1 ARG 120 1HH1 ARG 120 -5.343 13.714 5.303 951 2HH1 ARG 120 2HH1 ARG 120 -3.681 13.368 5.662 952 1HH2 ARG 120 1HH2 ARG 120 -2.664 13.349 2.307 953 2HH2 ARG 120 2HH2 ARG 120 -2.170 13.111 3.962 954 H PHE 121 H PHE 121 -7.293 9.014 2.277 955 HA PHE 121 HA PHE 121 -8.610 9.739 -0.071 956 1HB PHE 121 2HB PHE 121 -6.663 8.330 -0.190 957 2HB PHE 121 1HB PHE 121 -7.439 7.078 0.775 958 HD1 PHE 121 1HD PHE 121 -8.430 5.283 -0.312 959 HD2 PHE 121 2HD PHE 121 -7.880 8.935 -2.440 960 HE1 PHE 121 1HE PHE 121 -9.249 4.207 -2.368 961 HE2 PHE 121 2HE PHE 121 -8.697 7.860 -4.496 962 HZ PHE 121 HZ PHE 121 -9.382 5.495 -4.462 963 H VAL 122 H VAL 122 -9.461 7.220 2.298 964 HA VAL 122 HA VAL 122 -11.705 6.252 0.858 965 HB VAL 122 HB VAL 122 -12.350 5.110 2.942 966 1HG1 VAL 122 1HG1 VAL 122 -10.639 4.102 1.530 967 2HG1 VAL 122 2HG1 VAL 122 -10.307 3.769 3.230 968 3HG1 VAL 122 3HG1 VAL 122 -9.381 5.003 2.376 969 1HG2 VAL 122 1HG2 VAL 122 -11.830 6.876 4.549 970 2HG2 VAL 122 2HG2 VAL 122 -10.107 6.696 4.218 971 3HG2 VAL 122 3HG2 VAL 122 -11.001 5.383 4.985 972 H LYS 123 H LYS 123 -11.296 9.161 2.499 973 HA LYS 123 HA LYS 123 -14.179 9.487 3.018 974 1HB LYS 123 2HB LYS 123 -11.835 11.180 3.928 975 2HB LYS 123 1HB LYS 123 -13.522 11.517 4.289 976 1HG LYS 123 2HG LYS 123 -13.666 9.401 5.533 977 2HG LYS 123 1HG LYS 123 -11.958 9.103 5.197 978 1HD LYS 123 2HD LYS 123 -11.401 11.220 6.377 979 2HD LYS 123 1HD LYS 123 -13.108 11.416 6.775 980 1HE LYS 123 2HE LYS 123 -13.054 9.294 8.014 981 2HE LYS 123 1HE LYS 123 -11.341 9.120 7.629 982 1HZ LYS 123 1HZ LYS 123 -11.571 10.010 9.822 983 2HZ LYS 123 2HZ LYS 123 -12.580 11.255 9.280 984 3HZ LYS 123 3HZ LYS 123 -10.955 11.227 8.824 985 H SER 124 H SER 124 -11.721 10.225 0.835 986 HA SER 124 HA SER 124 -12.765 12.750 -0.094 987 1HB SER 124 2HB SER 124 -10.677 10.903 -1.299 988 2HB SER 124 1HB SER 124 -11.007 12.556 -1.821 989 HG SER 124 HG SER 124 -10.315 11.966 0.853 990 HA PRO 125 HA PRO 125 -15.612 11.351 -3.253 991 1HB PRO 125 2HB PRO 125 -14.118 13.058 -5.188 992 2HB PRO 125 1HB PRO 125 -15.836 13.070 -4.773 993 1HG PRO 125 2HG PRO 125 -14.217 14.993 -3.895 994 2HG PRO 125 1HG PRO 125 -15.495 14.337 -2.850 995 1HD PRO 125 2HD PRO 125 -12.548 13.775 -2.826 996 2HD PRO 125 1HD PRO 125 -13.664 14.000 -1.461 997 H LEU 126 H LEU 126 -15.428 10.781 -5.783 998 HA LEU 126 HA LEU 126 -14.676 9.393 -7.401 999 1HB LEU 126 2HB LEU 126 -12.433 10.603 -6.839 1000 2HB LEU 126 1HB LEU 126 -12.007 9.101 -6.046 1001 HG LEU 126 HG LEU 126 -12.779 9.306 -8.966 1002 1HD1 LEU 126 1HD1 LEU 126 -10.387 9.077 -9.443 1003 2HD1 LEU 126 2HD1 LEU 126 -10.033 9.181 -7.717 1004 3HD1 LEU 126 3HD1 LEU 126 -10.737 10.563 -8.561 1005 1HD2 LEU 126 1HD2 LEU 126 -13.140 7.083 -8.046 1006 2HD2 LEU 126 2HD2 LEU 126 -11.506 7.068 -7.381 1007 3HD2 LEU 126 3HD2 LEU 126 -11.748 7.076 -9.129 1008 H TYR 127 H TYR 127 -13.449 8.388 -4.182 1009 HA TYR 127 HA TYR 127 -13.634 5.642 -4.474 1010 1HB TYR 127 2HB TYR 127 -12.678 6.686 -2.481 1011 2HB TYR 127 1HB TYR 127 -14.248 7.339 -2.034 1012 HD1 TYR 127 1HD TYR 127 -12.337 4.173 -2.420 1013 HD2 TYR 127 2HD TYR 127 -15.781 6.049 -0.751 1014 HE1 TYR 127 1HE TYR 127 -12.788 2.155 -1.084 1015 HE2 TYR 127 2HE TYR 127 -16.233 4.037 0.587 1016 HH TYR 127 HH TYR 127 -13.991 1.570 1.028 1017 H ARG 128 H ARG 128 -16.147 7.884 -3.338 1018 HA ARG 128 HA ARG 128 -18.206 5.969 -3.095 1019 1HB ARG 128 2HB ARG 128 -18.404 8.961 -3.559 1020 2HB ARG 128 1HB ARG 128 -19.721 7.925 -3.015 1021 1HG ARG 128 2HG ARG 128 -18.533 7.419 -0.970 1022 2HG ARG 128 1HG ARG 128 -17.135 8.339 -1.522 1023 1HD ARG 128 2HD ARG 128 -18.499 10.388 -1.522 1024 2HD ARG 128 1HD ARG 128 -19.882 9.457 -0.940 1025 HE ARG 128 HE ARG 128 -18.190 8.886 0.968 1026 1HH1 ARG 128 1HH1 ARG 128 -18.697 12.003 -0.562 1027 2HH1 ARG 128 2HH1 ARG 128 -18.149 12.899 0.816 1028 1HH2 ARG 128 1HH2 ARG 128 -17.493 10.070 2.777 1029 2HH2 ARG 128 2HH2 ARG 128 -17.462 11.803 2.713 1030 H GLU 129 H GLU 129 -17.100 7.946 -5.780 1031 HA GLU 129 HA GLU 129 -19.209 7.482 -7.576 1032 1HB GLU 129 2HB GLU 129 -17.487 9.190 -7.948 1033 2HB GLU 129 1HB GLU 129 -16.267 7.940 -8.135 1034 1HG GLU 129 2HG GLU 129 -17.396 7.130 -10.148 1035 2HG GLU 129 1HG GLU 129 -18.632 8.373 -9.956 1036 H CYS 130 H CYS 130 -16.292 5.632 -6.845 1037 HA CYS 130 HA CYS 130 -16.645 3.685 -8.890 1038 1HB CYS 130 2HB CYS 130 -14.467 4.117 -7.784 1039 2HB CYS 130 1HB CYS 130 -15.108 3.449 -6.287 1040 HG CYS 130 HG CYS 130 -15.719 1.081 -8.243 1041 H LEU 131 H LEU 131 -17.875 4.076 -5.661 1042 HA LEU 131 HA LEU 131 -19.056 1.407 -5.611 1043 1HB LEU 131 2HB LEU 131 -18.891 3.675 -3.649 1044 2HB LEU 131 1HB LEU 131 -20.075 2.410 -3.415 1045 HG LEU 131 HG LEU 131 -18.224 0.735 -3.368 1046 1HD1 LEU 131 1HD1 LEU 131 -15.926 1.486 -3.094 1047 2HD1 LEU 131 2HD1 LEU 131 -16.427 3.159 -3.349 1048 3HD1 LEU 131 3HD1 LEU 131 -16.565 1.986 -4.660 1049 1HD2 LEU 131 1HD2 LEU 131 -17.423 1.326 -1.124 1050 2HD2 LEU 131 2HD2 LEU 131 -19.155 1.606 -1.294 1051 3HD2 LEU 131 3HD2 LEU 131 -18.033 2.967 -1.340 1052 H LEU 132 H LEU 132 -19.830 4.337 -6.952 1053 HA LEU 132 HA LEU 132 -22.623 4.463 -6.303 1054 1HB LEU 132 2HB LEU 132 -21.155 6.437 -6.859 1055 2HB LEU 132 1HB LEU 132 -21.144 5.896 -8.523 1056 HG LEU 132 HG LEU 132 -22.734 7.797 -7.923 1057 1HD1 LEU 132 1HD1 LEU 132 -23.932 5.359 -9.235 1058 2HD1 LEU 132 2HD1 LEU 132 -22.918 6.568 -10.024 1059 3HD1 LEU 132 3HD1 LEU 132 -24.503 7.019 -9.399 1060 1HD2 LEU 132 1HD2 LEU 132 -24.884 7.194 -6.950 1061 2HD2 LEU 132 2HD2 LEU 132 -23.570 6.870 -5.820 1062 3HD2 LEU 132 3HD2 LEU 132 -24.324 5.541 -6.700 1063 H ALA 133 H ALA 133 -23.810 2.783 -6.968 1064 HA ALA 133 HA ALA 133 -24.191 2.451 -9.845 1065 1HB ALA 133 1HB ALA 133 -23.653 0.106 -8.005 1066 2HB ALA 133 2HB ALA 133 -22.561 0.708 -9.253 1067 3HB ALA 133 3HB ALA 133 -24.113 0.001 -9.705 1068 H GLU 134 H GLU 134 -25.587 3.546 -7.420 1069 HA GLU 134 HA GLU 134 -28.017 1.872 -7.465 1070 1HB GLU 134 2HB GLU 134 -28.445 2.690 -5.157 1071 2HB GLU 134 1HB GLU 134 -26.969 1.742 -5.289 1072 1HG GLU 134 2HG GLU 134 -25.644 3.799 -5.327 1073 2HG GLU 134 1HG GLU 134 -27.121 4.753 -5.206 1074 H ALA 135 H ALA 135 -26.676 4.981 -7.998 1075 HA ALA 135 HA ALA 135 -28.885 6.612 -7.331 1076 1HB ALA 135 1HB ALA 135 -26.650 7.167 -9.287 1077 2HB ALA 135 2HB ALA 135 -26.615 7.502 -7.556 1078 3HB ALA 135 3HB ALA 135 -27.747 8.364 -8.597 1079 H GLU 136 H GLU 136 -27.678 5.644 -10.541 1080 HA GLU 136 HA GLU 136 -30.108 6.514 -11.825 1081 1HB GLU 136 2HB GLU 136 -27.749 4.989 -12.965 1082 2HB GLU 136 1HB GLU 136 -29.028 5.759 -13.897 1083 1HG GLU 136 2HG GLU 136 -28.333 7.948 -12.991 1084 2HG GLU 136 1HG GLU 136 -27.010 7.151 -12.142 Start of MODEL 6 1 1H SER 1 1HT SER 1 1.388 -15.501 -7.145 2 2H SER 1 2HT SER 1 2.694 -14.437 -7.070 3 3H SER 1 3HT SER 1 1.965 -14.770 -8.555 4 HA SER 1 HA SER 1 0.725 -13.366 -6.273 5 1HB SER 1 2HB SER 1 0.712 -11.456 -8.012 6 2HB SER 1 1HB SER 1 2.255 -11.859 -7.263 7 HG SER 1 HG SER 1 3.002 -12.371 -9.150 8 H MET 2 H MET 2 0.350 -14.023 -9.765 9 HA MET 2 HA MET 2 -1.405 -14.643 -11.040 10 1HB MET 2 2HB MET 2 -2.620 -15.427 -8.380 11 2HB MET 2 1HB MET 2 -3.401 -15.724 -9.928 12 1HG MET 2 2HG MET 2 -2.333 -17.736 -9.275 13 2HG MET 2 1HG MET 2 -1.394 -17.055 -10.601 14 1HE MET 2 1HE MET 2 -0.120 -17.189 -6.168 15 2HE MET 2 2HE MET 2 -1.490 -18.061 -6.854 16 3HE MET 2 3HE MET 2 -1.549 -16.304 -6.705 17 H THR 3 H THR 3 -2.873 -13.460 -12.092 18 HA THR 3 HA THR 3 -3.739 -10.966 -10.948 19 HB THR 3 HB THR 3 -4.946 -10.811 -13.256 20 HG1 THR 3 1HG THR 3 -4.860 -12.688 -14.250 21 1HG2 THR 3 1HG2 THR 3 -2.885 -9.583 -12.703 22 2HG2 THR 3 2HG2 THR 3 -2.861 -10.160 -14.369 23 3HG2 THR 3 3HG2 THR 3 -1.926 -10.999 -13.131 24 H GLU 4 H GLU 4 -4.929 -12.142 -9.218 25 HA GLU 4 HA GLU 4 -7.364 -13.505 -9.811 26 1HB GLU 4 2HB GLU 4 -6.068 -13.849 -7.724 27 2HB GLU 4 1HB GLU 4 -6.446 -12.205 -7.231 28 1HG GLU 4 2HG GLU 4 -8.853 -12.805 -7.234 29 2HG GLU 4 1HG GLU 4 -8.403 -14.467 -7.611 30 H GLU 5 H GLU 5 -6.464 -10.194 -9.161 31 HA GLU 5 HA GLU 5 -7.540 -8.214 -9.350 32 1HB GLU 5 2HB GLU 5 -9.784 -9.843 -10.574 33 2HB GLU 5 1HB GLU 5 -9.697 -8.086 -10.566 34 1HG GLU 5 2HG GLU 5 -7.675 -8.161 -11.925 35 2HG GLU 5 1HG GLU 5 -7.709 -9.923 -11.900 36 H GLN 6 H GLN 6 -9.730 -7.104 -8.652 37 HA GLN 6 HA GLN 6 -11.150 -8.318 -6.496 38 1HB GLN 6 2HB GLN 6 -10.201 -6.794 -4.718 39 2HB GLN 6 1HB GLN 6 -9.114 -8.067 -5.260 40 1HG GLN 6 2HG GLN 6 -7.925 -6.473 -6.672 41 2HG GLN 6 1HG GLN 6 -9.031 -5.193 -6.175 42 1HE2 GLN 6 1HE2 GLN 6 -7.329 -3.970 -5.380 43 2HE2 GLN 6 2HE2 GLN 6 -6.522 -4.357 -3.900 44 HA PRO 7 HA PRO 7 -13.696 -4.701 -7.318 45 1HB PRO 7 2HB PRO 7 -15.280 -4.700 -5.135 46 2HB PRO 7 1HB PRO 7 -15.419 -5.950 -6.379 47 1HG PRO 7 2HG PRO 7 -14.016 -6.064 -3.728 48 2HG PRO 7 1HG PRO 7 -15.070 -7.273 -4.487 49 1HD PRO 7 2HD PRO 7 -12.342 -7.416 -4.546 50 2HD PRO 7 1HD PRO 7 -13.378 -8.092 -5.821 51 H VAL 8 H VAL 8 -14.117 -2.520 -6.466 52 HA VAL 8 HA VAL 8 -11.761 -1.374 -5.406 53 HB VAL 8 HB VAL 8 -12.934 0.755 -5.387 54 1HG1 VAL 8 1HG1 VAL 8 -12.144 -0.070 -7.536 55 2HG1 VAL 8 2HG1 VAL 8 -13.634 0.851 -7.742 56 3HG1 VAL 8 3HG1 VAL 8 -13.672 -0.912 -7.798 57 1HG2 VAL 8 1HG2 VAL 8 -15.454 -0.842 -5.889 58 2HG2 VAL 8 2HG2 VAL 8 -15.331 0.916 -5.935 59 3HG2 VAL 8 3HG2 VAL 8 -15.061 0.054 -4.422 60 H ALA 9 H ALA 9 -14.488 -2.742 -3.861 61 HA ALA 9 HA ALA 9 -14.473 -1.309 -1.429 62 1HB ALA 9 1HB ALA 9 -15.345 -4.157 -1.943 63 2HB ALA 9 2HB ALA 9 -16.350 -2.719 -2.122 64 3HB ALA 9 3HB ALA 9 -15.758 -3.189 -0.528 65 H SER 10 H SER 10 -12.299 -3.633 -2.713 66 HA SER 10 HA SER 10 -11.432 -4.933 -0.368 67 1HB SER 10 2HB SER 10 -9.412 -5.499 -1.717 68 2HB SER 10 1HB SER 10 -10.919 -5.816 -2.578 69 HG SER 10 HG SER 10 -8.898 -4.221 -3.293 70 H TRP 11 H TRP 11 -10.746 -1.809 -1.692 71 HA TRP 11 HA TRP 11 -8.256 -1.255 -0.568 72 1HB TRP 11 2HB TRP 11 -10.534 0.687 -1.015 73 2HB TRP 11 1HB TRP 11 -8.837 1.103 -0.841 74 HD1 TRP 11 HD TRP 11 -8.169 -1.569 -2.911 75 HE1 TRP 11 1HE TRP 11 -8.331 -1.042 -5.430 76 HE3 TRP 11 3HE TRP 11 -10.919 2.725 -2.652 77 HZ2 TRP 11 2HZ TRP 11 -9.486 0.939 -7.076 78 HZ3 TRP 11 3HZ TRP 11 -11.510 3.883 -4.738 79 HH2 TRP 11 HH TRP 11 -10.806 3.007 -6.910 80 H ALA 12 H ALA 12 -11.500 -0.943 0.788 81 HA ALA 12 HA ALA 12 -10.685 0.515 3.104 82 1HB ALA 12 1HB ALA 12 -12.933 0.726 2.188 83 2HB ALA 12 2HB ALA 12 -12.989 0.182 3.865 84 3HB ALA 12 3HB ALA 12 -13.257 -0.969 2.555 85 H LEU 13 H LEU 13 -10.218 -2.664 2.287 86 HA LEU 13 HA LEU 13 -10.648 -3.841 4.884 87 1HB LEU 13 2HB LEU 13 -9.181 -4.906 2.462 88 2HB LEU 13 1HB LEU 13 -9.541 -5.831 3.908 89 HG LEU 13 HG LEU 13 -11.584 -4.691 1.988 90 1HD1 LEU 13 1HD1 LEU 13 -12.038 -7.029 1.431 91 2HD1 LEU 13 2HD1 LEU 13 -10.729 -7.542 2.495 92 3HD1 LEU 13 3HD1 LEU 13 -10.374 -6.588 1.054 93 1HD2 LEU 13 1HD2 LEU 13 -13.231 -5.939 3.305 94 2HD2 LEU 13 2HD2 LEU 13 -12.436 -4.702 4.275 95 3HD2 LEU 13 3HD2 LEU 13 -11.973 -6.396 4.454 96 H SER 14 H SER 14 -7.838 -2.831 2.951 97 HA SER 14 HA SER 14 -6.253 -2.397 5.318 98 1HB SER 14 2HB SER 14 -5.403 -4.560 3.365 99 2HB SER 14 1HB SER 14 -4.473 -3.991 4.750 100 HG SER 14 HG SER 14 -6.622 -4.629 5.880 101 H PHE 15 H PHE 15 -4.630 -0.949 4.954 102 HA PHE 15 HA PHE 15 -4.609 0.643 2.668 103 1HB PHE 15 2HB PHE 15 -3.702 1.376 4.843 104 2HB PHE 15 1HB PHE 15 -2.368 0.240 4.673 105 HD1 PHE 15 1HD PHE 15 -0.512 1.683 4.644 106 HD2 PHE 15 2HD PHE 15 -3.797 2.450 2.040 107 HE1 PHE 15 1HE PHE 15 0.798 3.423 3.504 108 HE2 PHE 15 2HE PHE 15 -2.486 4.189 0.897 109 HZ PHE 15 HZ PHE 15 -0.189 4.678 1.629 110 H GLU 16 H GLU 16 -2.564 -2.086 3.559 111 HA GLU 16 HA GLU 16 -0.752 -2.140 1.488 112 1HB GLU 16 2HB GLU 16 -0.663 -3.679 3.381 113 2HB GLU 16 1HB GLU 16 -2.146 -4.460 2.850 114 1HG GLU 16 2HG GLU 16 -0.978 -5.198 0.795 115 2HG GLU 16 1HG GLU 16 0.511 -4.489 1.421 116 H ARG 17 H ARG 17 -4.094 -3.294 1.526 117 HA ARG 17 HA ARG 17 -3.872 -4.605 -1.019 118 1HB ARG 17 2HB ARG 17 -5.386 -5.276 0.930 119 2HB ARG 17 1HB ARG 17 -6.438 -3.957 0.434 120 1HG ARG 17 2HG ARG 17 -6.862 -4.988 -1.681 121 2HG ARG 17 1HG ARG 17 -5.613 -6.204 -1.400 122 1HD ARG 17 2HD ARG 17 -6.954 -6.989 0.573 123 2HD ARG 17 1HD ARG 17 -8.241 -5.901 0.054 124 HE ARG 17 HE ARG 17 -7.869 -7.310 -2.166 125 1HH1 ARG 17 1HH1 ARG 17 -8.028 -8.423 1.152 126 2HH1 ARG 17 2HH1 ARG 17 -8.732 -9.957 0.737 127 1HH2 ARG 17 1HH2 ARG 17 -8.774 -9.346 -2.722 128 2HH2 ARG 17 2HH2 ARG 17 -9.157 -10.477 -1.461 129 H LEU 18 H LEU 18 -4.669 -1.430 0.054 130 HA LEU 18 HA LEU 18 -5.797 -0.640 -2.517 131 1HB LEU 18 2HB LEU 18 -6.743 0.472 -0.638 132 2HB LEU 18 1HB LEU 18 -5.171 0.843 0.038 133 HG LEU 18 HG LEU 18 -5.901 2.069 -2.603 134 1HD1 LEU 18 1HD1 LEU 18 -6.934 3.029 0.068 135 2HD1 LEU 18 2HD1 LEU 18 -7.892 2.509 -1.320 136 3HD1 LEU 18 3HD1 LEU 18 -6.933 3.983 -1.417 137 1HD2 LEU 18 1HD2 LEU 18 -3.658 2.431 -1.721 138 2HD2 LEU 18 2HD2 LEU 18 -4.330 3.048 -0.211 139 3HD2 LEU 18 3HD2 LEU 18 -4.569 3.939 -1.714 140 H LEU 19 H LEU 19 -2.803 -0.389 -0.732 141 HA LEU 19 HA LEU 19 -1.633 1.595 -2.436 142 1HB LEU 19 2HB LEU 19 -1.160 1.452 -0.026 143 2HB LEU 19 1HB LEU 19 -0.424 -0.120 -0.259 144 HG LEU 19 HG LEU 19 1.372 0.882 -1.569 145 1HD1 LEU 19 1HD1 LEU 19 0.012 3.520 -1.008 146 2HD1 LEU 19 2HD1 LEU 19 0.143 2.733 -2.581 147 3HD1 LEU 19 3HD1 LEU 19 1.592 3.315 -1.764 148 1HD2 LEU 19 1HD2 LEU 19 1.660 0.699 0.841 149 2HD2 LEU 19 2HD2 LEU 19 0.927 2.288 1.063 150 3HD2 LEU 19 3HD2 LEU 19 2.470 2.137 0.222 151 H GLN 20 H GLN 20 -1.576 -1.887 -2.231 152 HA GLN 20 HA GLN 20 0.554 -2.051 -4.230 153 1HB GLN 20 2HB GLN 20 0.520 -3.563 -2.224 154 2HB GLN 20 1HB GLN 20 -0.937 -4.308 -2.866 155 1HG GLN 20 2HG GLN 20 0.226 -5.214 -4.717 156 2HG GLN 20 1HG GLN 20 1.647 -4.220 -4.405 157 1HE2 GLN 20 1HE2 GLN 20 1.587 -4.679 -1.536 158 2HE2 GLN 20 2HE2 GLN 20 2.142 -6.293 -1.288 159 H ASP 21 H ASP 21 -2.684 -1.558 -4.220 160 HA ASP 21 HA ASP 21 -3.283 -3.143 -6.605 161 1HB ASP 21 2HB ASP 21 -4.962 -3.100 -4.804 162 2HB ASP 21 1HB ASP 21 -5.059 -1.347 -4.924 163 HA PRO 22 HA PRO 22 -2.065 0.333 -9.094 164 1HB PRO 22 2HB PRO 22 -3.119 -0.512 -11.478 165 2HB PRO 22 1HB PRO 22 -1.619 -1.146 -10.792 166 1HG PRO 22 2HG PRO 22 -4.385 -2.303 -10.688 167 2HG PRO 22 1HG PRO 22 -2.841 -3.121 -11.005 168 1HD PRO 22 2HD PRO 22 -4.038 -3.223 -8.589 169 2HD PRO 22 1HD PRO 22 -2.270 -3.180 -8.754 170 H LEU 23 H LEU 23 -5.400 -0.800 -9.034 171 HA LEU 23 HA LEU 23 -6.490 1.528 -10.319 172 1HB LEU 23 2HB LEU 23 -7.439 -0.938 -9.990 173 2HB LEU 23 1HB LEU 23 -8.115 -0.253 -8.528 174 HG LEU 23 HG LEU 23 -8.646 0.825 -11.309 175 1HD1 LEU 23 1HD1 LEU 23 -10.841 -0.244 -11.128 176 2HD1 LEU 23 2HD1 LEU 23 -10.362 -0.982 -9.599 177 3HD1 LEU 23 3HD1 LEU 23 -9.540 -1.434 -11.093 178 1HD2 LEU 23 1HD2 LEU 23 -10.442 2.070 -10.273 179 2HD2 LEU 23 2HD2 LEU 23 -8.918 2.462 -9.481 180 3HD2 LEU 23 3HD2 LEU 23 -10.062 1.371 -8.700 181 H GLY 24 H GLY 24 -6.274 0.322 -7.006 182 1HA GLY 24 2HA GLY 24 -7.528 2.445 -5.680 183 2HA GLY 24 1HA GLY 24 -6.356 1.343 -4.972 184 H LEU 25 H LEU 25 -4.052 1.825 -6.091 185 HA LEU 25 HA LEU 25 -3.196 4.207 -4.892 186 1HB LEU 25 2HB LEU 25 -1.931 1.981 -5.767 187 2HB LEU 25 1HB LEU 25 -1.514 3.076 -7.071 188 HG LEU 25 HG LEU 25 -0.900 3.493 -4.135 189 1HD1 LEU 25 1HD1 LEU 25 0.920 2.857 -6.452 190 2HD1 LEU 25 2HD1 LEU 25 0.463 1.755 -5.154 191 3HD1 LEU 25 3HD1 LEU 25 1.427 3.186 -4.793 192 1HD2 LEU 25 1HD2 LEU 25 -0.163 5.201 -6.513 193 2HD2 LEU 25 2HD2 LEU 25 0.429 5.419 -4.866 194 3HD2 LEU 25 3HD2 LEU 25 -1.285 5.634 -5.222 195 H ALA 26 H ALA 26 -4.276 3.510 -8.158 196 HA ALA 26 HA ALA 26 -3.305 5.749 -9.510 197 1HB ALA 26 1HB ALA 26 -5.954 4.357 -9.933 198 2HB ALA 26 2HB ALA 26 -4.410 3.882 -10.642 199 3HB ALA 26 3HB ALA 26 -5.146 5.422 -11.084 200 H TYR 27 H TYR 27 -6.511 5.381 -7.948 201 HA TYR 27 HA TYR 27 -7.082 8.186 -8.267 202 1HB TYR 27 2HB TYR 27 -8.509 6.007 -6.723 203 2HB TYR 27 1HB TYR 27 -9.104 7.660 -6.861 204 HD1 TYR 27 1HD TYR 27 -10.095 8.459 -8.920 205 HD2 TYR 27 2HD TYR 27 -8.475 4.528 -8.703 206 HE1 TYR 27 1HE TYR 27 -11.192 7.894 -11.046 207 HE2 TYR 27 2HE TYR 27 -9.571 3.957 -10.827 208 HH TYR 27 HH TYR 27 -11.457 4.688 -12.182 209 H PHE 28 H PHE 28 -5.806 6.152 -5.740 210 HA PHE 28 HA PHE 28 -6.004 7.903 -3.564 211 1HB PHE 28 2HB PHE 28 -5.393 5.526 -3.352 212 2HB PHE 28 1HB PHE 28 -3.866 5.840 -4.166 213 HD1 PHE 28 1HD PHE 28 -5.827 6.703 -1.128 214 HD2 PHE 28 2HD PHE 28 -1.973 6.468 -2.934 215 HE1 PHE 28 1HE PHE 28 -4.779 7.161 1.048 216 HE2 PHE 28 2HE PHE 28 -0.925 6.931 -0.759 217 HZ PHE 28 HZ PHE 28 -2.328 7.278 1.236 218 H THR 29 H THR 29 -3.453 7.513 -6.012 219 HA THR 29 HA THR 29 -1.794 9.538 -4.864 220 HB THR 29 HB THR 29 -0.888 7.648 -6.262 221 HG1 THR 29 1HG THR 29 -0.253 10.283 -7.160 222 1HG2 THR 29 1HG2 THR 29 -0.901 7.891 -8.702 223 2HG2 THR 29 2HG2 THR 29 -1.954 9.300 -8.563 224 3HG2 THR 29 3HG2 THR 29 -2.542 7.708 -8.081 225 H GLU 30 H GLU 30 -4.427 9.496 -7.155 226 HA GLU 30 HA GLU 30 -4.057 11.951 -8.416 227 1HB GLU 30 2HB GLU 30 -5.917 10.437 -8.984 228 2HB GLU 30 1HB GLU 30 -6.669 10.765 -7.427 229 1HG GLU 30 2HG GLU 30 -6.940 13.114 -8.045 230 2HG GLU 30 1HG GLU 30 -6.174 12.798 -9.600 231 H PHE 31 H PHE 31 -6.028 11.380 -5.484 232 HA PHE 31 HA PHE 31 -6.234 14.061 -4.684 233 1HB PHE 31 2HB PHE 31 -6.242 11.529 -3.017 234 2HB PHE 31 1HB PHE 31 -6.649 13.118 -2.382 235 HD1 PHE 31 1HD PHE 31 -8.849 13.875 -2.465 236 HD2 PHE 31 2HD PHE 31 -7.657 10.663 -4.997 237 HE1 PHE 31 1HE PHE 31 -11.194 13.527 -3.127 238 HE2 PHE 31 2HE PHE 31 -9.996 10.315 -5.661 239 HZ PHE 31 HZ PHE 31 -11.768 11.747 -4.730 240 H LEU 32 H LEU 32 -3.899 11.568 -3.746 241 HA LEU 32 HA LEU 32 -2.549 13.043 -1.790 242 1HB LEU 32 2HB LEU 32 -2.465 10.597 -2.008 243 2HB LEU 32 1HB LEU 32 -1.541 10.757 -3.488 244 HG LEU 32 HG LEU 32 0.320 11.760 -2.216 245 1HD1 LEU 32 1HD1 LEU 32 -0.971 12.772 -0.404 246 2HD1 LEU 32 2HD1 LEU 32 0.316 11.737 0.213 247 3HD1 LEU 32 3HD1 LEU 32 -1.355 11.167 0.223 248 1HD2 LEU 32 1HD2 LEU 32 0.277 9.351 -2.614 249 2HD2 LEU 32 2HD2 LEU 32 -0.623 9.113 -1.116 250 3HD2 LEU 32 3HD2 LEU 32 1.029 9.728 -1.063 251 H LYS 33 H LYS 33 -2.209 13.103 -5.272 252 HA LYS 33 HA LYS 33 0.342 14.520 -5.042 253 1HB LYS 33 2HB LYS 33 -0.001 12.704 -6.765 254 2HB LYS 33 1HB LYS 33 -1.099 13.795 -7.600 255 1HG LYS 33 2HG LYS 33 0.607 15.244 -8.230 256 2HG LYS 33 1HG LYS 33 1.685 14.692 -6.947 257 1HD LYS 33 2HD LYS 33 1.885 12.507 -8.121 258 2HD LYS 33 1HD LYS 33 0.908 13.161 -9.438 259 1HE LYS 33 2HE LYS 33 2.580 14.767 -9.989 260 2HE LYS 33 1HE LYS 33 3.481 14.438 -8.509 261 1HZ LYS 33 1HZ LYS 33 4.491 13.409 -10.469 262 2HZ LYS 33 2HZ LYS 33 3.092 12.498 -10.730 263 3HZ LYS 33 3HZ LYS 33 4.014 12.250 -9.334 264 H LYS 34 H LYS 34 -3.002 15.204 -5.383 265 HA LYS 34 HA LYS 34 -2.736 17.804 -6.530 266 1HB LYS 34 2HB LYS 34 -4.900 16.598 -4.791 267 2HB LYS 34 1HB LYS 34 -5.004 18.208 -5.494 268 1HG LYS 34 2HG LYS 34 -4.837 17.220 -7.744 269 2HG LYS 34 1HG LYS 34 -4.793 15.612 -7.019 270 1HD LYS 34 2HD LYS 34 -7.020 15.995 -6.050 271 2HD LYS 34 1HD LYS 34 -7.060 17.602 -6.780 272 1HE LYS 34 2HE LYS 34 -6.863 16.534 -9.016 273 2HE LYS 34 1HE LYS 34 -6.957 14.956 -8.237 274 1HZ LYS 34 1HZ LYS 34 -9.057 17.056 -8.146 275 2HZ LYS 34 2HZ LYS 34 -9.152 15.532 -7.412 276 3HZ LYS 34 3HZ LYS 34 -9.098 15.656 -9.098 277 H GLU 35 H GLU 35 -2.441 16.486 -3.320 278 HA GLU 35 HA GLU 35 -1.855 19.128 -2.197 279 1HB GLU 35 2HB GLU 35 -1.649 17.822 -0.035 280 2HB GLU 35 1HB GLU 35 -3.243 17.816 -0.776 281 1HG GLU 35 2HG GLU 35 -2.639 15.575 -1.778 282 2HG GLU 35 1HG GLU 35 -1.217 15.589 -0.735 283 H PHE 36 H PHE 36 -0.305 16.992 -3.982 284 HA PHE 36 HA PHE 36 1.804 16.382 -4.442 285 1HB PHE 36 2HB PHE 36 1.885 18.921 -4.637 286 2HB PHE 36 1HB PHE 36 2.661 18.928 -3.056 287 HD1 PHE 36 1HD PHE 36 2.994 17.716 -6.539 288 HD2 PHE 36 2HD PHE 36 4.984 18.457 -2.844 289 HE1 PHE 36 1HE PHE 36 5.162 17.315 -7.627 290 HE2 PHE 36 2HE PHE 36 7.156 18.056 -3.933 291 HZ PHE 36 HZ PHE 36 7.244 17.485 -6.326 292 H SER 37 H SER 37 1.341 14.723 -2.757 293 HA SER 37 HA SER 37 3.700 14.639 -1.019 294 1HB SER 37 2HB SER 37 1.744 15.233 0.404 295 2HB SER 37 1HB SER 37 0.926 13.771 -0.139 296 HG SER 37 HG SER 37 2.592 14.029 1.880 297 H ALA 38 H ALA 38 2.289 13.443 -3.601 298 HA ALA 38 HA ALA 38 1.915 10.685 -3.176 299 1HB ALA 38 1HB ALA 38 2.654 12.109 -5.735 300 2HB ALA 38 2HB ALA 38 1.018 11.865 -5.124 301 3HB ALA 38 3HB ALA 38 1.993 10.478 -5.608 302 H GLU 39 H GLU 39 4.710 12.492 -3.125 303 HA GLU 39 HA GLU 39 6.569 10.794 -4.392 304 1HB GLU 39 2HB GLU 39 6.955 12.844 -2.191 305 2HB GLU 39 1HB GLU 39 8.268 12.070 -3.066 306 1HG GLU 39 2HG GLU 39 7.830 14.297 -3.936 307 2HG GLU 39 1HG GLU 39 7.494 13.071 -5.155 308 H ASN 40 H ASN 40 5.086 10.739 -1.226 309 HA ASN 40 HA ASN 40 7.026 9.071 0.018 310 1HB ASN 40 2HB ASN 40 5.556 8.869 1.852 311 2HB ASN 40 1HB ASN 40 5.248 10.477 1.214 312 1HD2 ASN 40 1HD2 ASN 40 3.231 10.960 0.431 313 2HD2 ASN 40 2HD2 ASN 40 1.896 9.867 0.496 314 H VAL 41 H VAL 41 3.941 8.369 -1.634 315 HA VAL 41 HA VAL 41 4.194 5.544 -1.266 316 HB VAL 41 HB VAL 41 2.359 5.291 -2.867 317 1HG1 VAL 41 1HG1 VAL 41 0.637 6.532 -1.634 318 2HG1 VAL 41 2HG1 VAL 41 1.892 7.517 -0.881 319 3HG1 VAL 41 3HG1 VAL 41 1.812 5.786 -0.553 320 1HG2 VAL 41 1HG2 VAL 41 1.293 7.246 -3.905 321 2HG2 VAL 41 2HG2 VAL 41 2.952 7.035 -4.466 322 3HG2 VAL 41 3HG2 VAL 41 2.577 8.279 -3.272 323 H THR 42 H THR 42 5.272 7.840 -3.669 324 HA THR 42 HA THR 42 6.048 6.014 -5.675 325 HB THR 42 HB THR 42 7.364 8.652 -4.944 326 HG1 THR 42 1HG THR 42 5.026 8.636 -5.512 327 1HG2 THR 42 1HG2 THR 42 8.773 7.283 -6.416 328 2HG2 THR 42 2HG2 THR 42 8.124 8.673 -7.285 329 3HG2 THR 42 3HG2 THR 42 7.419 7.075 -7.529 330 H PHE 43 H PHE 43 7.724 7.296 -2.824 331 HA PHE 43 HA PHE 43 10.140 5.903 -3.093 332 1HB PHE 43 2HB PHE 43 9.934 7.704 -1.490 333 2HB PHE 43 1HB PHE 43 8.664 6.849 -0.621 334 HD1 PHE 43 1HD PHE 43 12.259 6.573 -1.575 335 HD2 PHE 43 2HD PHE 43 9.208 5.507 1.205 336 HE1 PHE 43 1HE PHE 43 13.951 5.560 -0.106 337 HE2 PHE 43 2HE PHE 43 10.900 4.494 2.676 338 HZ PHE 43 HZ PHE 43 13.274 4.519 2.023 339 H TRP 44 H TRP 44 7.105 4.996 -1.471 340 HA TRP 44 HA TRP 44 7.954 2.518 -0.466 341 1HB TRP 44 2HB TRP 44 5.842 3.625 0.222 342 2HB TRP 44 1HB TRP 44 5.157 3.285 -1.363 343 HD1 TRP 44 HD TRP 44 6.078 1.575 1.939 344 HE1 TRP 44 1HE TRP 44 4.994 -0.756 1.999 345 HE3 TRP 44 3HE TRP 44 4.292 1.363 -2.854 346 HZ2 TRP 44 2HZ TRP 44 3.563 -2.453 0.271 347 HZ3 TRP 44 3HZ TRP 44 3.076 -0.654 -3.564 348 HH2 TRP 44 HH TRP 44 2.718 -2.523 -2.034 349 H LYS 45 H LYS 45 6.409 3.351 -3.561 350 HA LYS 45 HA LYS 45 6.264 0.736 -4.592 351 1HB LYS 45 2HB LYS 45 6.486 3.377 -6.061 352 2HB LYS 45 1HB LYS 45 6.101 1.841 -6.827 353 1HG LYS 45 2HG LYS 45 4.060 1.679 -5.474 354 2HG LYS 45 1HG LYS 45 4.445 3.226 -4.717 355 1HD LYS 45 2HD LYS 45 2.854 3.660 -6.448 356 2HD LYS 45 1HD LYS 45 4.415 4.260 -7.007 357 1HE LYS 45 2HE LYS 45 3.374 3.121 -8.832 358 2HE LYS 45 1HE LYS 45 4.704 2.113 -8.265 359 1HZ LYS 45 1HZ LYS 45 3.040 0.820 -6.984 360 2HZ LYS 45 2HZ LYS 45 2.813 0.737 -8.655 361 3HZ LYS 45 3HZ LYS 45 1.810 1.722 -7.717 362 H ALA 46 H ALA 46 8.837 3.136 -4.614 363 HA ALA 46 HA ALA 46 10.601 1.817 -6.375 364 1HB ALA 46 1HB ALA 46 10.903 4.157 -5.683 365 2HB ALA 46 2HB ALA 46 12.352 3.201 -5.371 366 3HB ALA 46 3HB ALA 46 11.271 3.625 -4.043 367 H CYS 47 H CYS 47 10.137 1.629 -2.874 368 HA CYS 47 HA CYS 47 12.180 -0.280 -2.392 369 1HB CYS 47 2HB CYS 47 9.687 0.335 -0.786 370 2HB CYS 47 1HB CYS 47 11.068 -0.596 -0.211 371 HG CYS 47 HG CYS 47 11.015 2.739 -0.963 372 H GLU 48 H GLU 48 8.746 -0.513 -3.133 373 HA GLU 48 HA GLU 48 8.345 -3.261 -2.827 374 1HB GLU 48 2HB GLU 48 6.468 -1.792 -3.188 375 2HB GLU 48 1HB GLU 48 7.111 -1.252 -4.728 376 1HG GLU 48 2HG GLU 48 6.845 -3.680 -5.495 377 2HG GLU 48 1HG GLU 48 5.867 -3.901 -4.044 378 H ARG 49 H ARG 49 9.462 -1.387 -5.619 379 HA ARG 49 HA ARG 49 9.868 -3.576 -7.366 380 1HB ARG 49 2HB ARG 49 9.736 -1.460 -8.389 381 2HB ARG 49 1HB ARG 49 10.894 -0.745 -7.277 382 1HG ARG 49 2HG ARG 49 12.714 -1.948 -8.330 383 2HG ARG 49 1HG ARG 49 11.582 -2.795 -9.384 384 1HD ARG 49 2HD ARG 49 11.091 -0.852 -10.608 385 2HD ARG 49 1HD ARG 49 11.750 0.205 -9.360 386 HE ARG 49 HE ARG 49 13.953 -0.428 -10.034 387 1HH1 ARG 49 1HH1 ARG 49 11.451 -1.651 -12.163 388 2HH1 ARG 49 2HH1 ARG 49 12.516 -1.802 -13.521 389 1HH2 ARG 49 1HH2 ARG 49 15.342 -0.624 -11.806 390 2HH2 ARG 49 2HH2 ARG 49 14.734 -1.206 -13.327 391 H PHE 50 H PHE 50 11.876 -2.037 -4.936 392 HA PHE 50 HA PHE 50 14.335 -3.200 -5.728 393 1HB PHE 50 2HB PHE 50 14.080 -1.165 -4.262 394 2HB PHE 50 1HB PHE 50 13.590 -2.236 -2.954 395 HD1 PHE 50 1HD PHE 50 15.217 -3.834 -1.985 396 HD2 PHE 50 2HD PHE 50 16.362 -0.961 -4.913 397 HE1 PHE 50 1HE PHE 50 17.578 -4.186 -1.408 398 HE2 PHE 50 2HE PHE 50 18.724 -1.311 -4.336 399 HZ PHE 50 HZ PHE 50 19.337 -2.925 -2.582 400 H GLN 51 H GLN 51 11.892 -4.140 -3.320 401 HA GLN 51 HA GLN 51 13.419 -6.391 -2.392 402 1HB GLN 51 2HB GLN 51 11.395 -6.947 -1.077 403 2HB GLN 51 1HB GLN 51 11.925 -5.288 -0.848 404 1HG GLN 51 2HG GLN 51 10.184 -4.551 -2.446 405 2HG GLN 51 1HG GLN 51 9.618 -6.219 -2.547 406 1HE2 GLN 51 1HE2 GLN 51 7.584 -5.612 -1.754 407 2HE2 GLN 51 2HE2 GLN 51 7.332 -5.230 -0.088 408 H GLN 52 H GLN 52 11.801 -5.897 -5.204 409 HA GLN 52 HA GLN 52 10.710 -8.521 -5.612 410 1HB GLN 52 2HB GLN 52 9.907 -6.583 -6.896 411 2HB GLN 52 1HB GLN 52 11.505 -6.366 -7.595 412 1HG GLN 52 2HG GLN 52 11.308 -8.535 -8.717 413 2HG GLN 52 1HG GLN 52 9.703 -8.746 -8.014 414 1HE2 GLN 52 1HE2 GLN 52 11.603 -6.976 -10.341 415 2HE2 GLN 52 2HE2 GLN 52 10.270 -6.323 -11.225 416 H ILE 53 H ILE 53 13.805 -7.071 -5.692 417 HA ILE 53 HA ILE 53 15.101 -8.966 -7.416 418 HB ILE 53 HB ILE 53 16.331 -7.109 -5.359 419 1HG1 ILE 53 2HG1 ILE 53 15.911 -6.617 -8.324 420 2HG1 ILE 53 1HG1 ILE 53 14.907 -5.931 -7.051 421 1HG2 ILE 53 1HG2 ILE 53 17.547 -8.470 -7.768 422 2HG2 ILE 53 2HG2 ILE 53 17.852 -8.869 -6.078 423 3HG2 ILE 53 3HG2 ILE 53 18.367 -7.310 -6.722 424 1HD1 ILE 53 1HD1 ILE 53 16.852 -4.742 -6.164 425 2HD1 ILE 53 2HD1 ILE 53 16.529 -4.320 -7.845 426 3HD1 ILE 53 3HD1 ILE 53 17.848 -5.422 -7.453 427 HA PRO 54 HA PRO 54 15.119 -12.115 -4.249 428 1HB PRO 54 2HB PRO 54 16.451 -14.040 -5.590 429 2HB PRO 54 1HB PRO 54 14.805 -13.563 -6.023 430 1HG PRO 54 2HG PRO 54 17.405 -12.730 -7.274 431 2HG PRO 54 1HG PRO 54 15.900 -13.245 -8.063 432 1HD PRO 54 2HD PRO 54 16.597 -10.630 -7.779 433 2HD PRO 54 1HD PRO 54 14.907 -11.178 -7.797 434 H ALA 55 H ALA 55 17.384 -10.048 -4.361 435 HA ALA 55 HA ALA 55 19.196 -9.619 -3.061 436 1HB ALA 55 1HB ALA 55 18.179 -11.118 -1.394 437 2HB ALA 55 2HB ALA 55 19.941 -11.183 -1.372 438 3HB ALA 55 3HB ALA 55 19.021 -12.485 -2.127 439 H SER 56 H SER 56 19.333 -12.670 -4.842 440 HA SER 56 HA SER 56 22.062 -13.070 -4.932 441 1HB SER 56 2HB SER 56 20.087 -13.685 -7.145 442 2HB SER 56 1HB SER 56 21.629 -14.491 -6.851 443 HG SER 56 HG SER 56 20.165 -15.790 -5.900 444 H ASP 57 H ASP 57 20.076 -10.902 -6.870 445 HA ASP 57 HA ASP 57 22.220 -10.178 -8.658 446 1HB ASP 57 2HB ASP 57 19.534 -8.855 -8.168 447 2HB ASP 57 1HB ASP 57 20.653 -8.415 -9.449 448 H THR 58 H THR 58 23.617 -9.792 -6.636 449 HA THR 58 HA THR 58 23.270 -7.681 -4.881 450 HB THR 58 HB THR 58 25.924 -8.599 -6.025 451 HG1 THR 58 1HG THR 58 25.754 -10.308 -4.747 452 1HG2 THR 58 1HG2 THR 58 25.246 -7.303 -3.371 453 2HG2 THR 58 2HG2 THR 58 26.089 -6.524 -4.710 454 3HG2 THR 58 3HG2 THR 58 26.842 -7.876 -3.862 455 H GLN 59 H GLN 59 24.664 -7.637 -8.137 456 HA GLN 59 HA GLN 59 25.569 -4.969 -8.101 457 1HB GLN 59 2HB GLN 59 26.276 -6.642 -9.793 458 2HB GLN 59 1HB GLN 59 24.661 -6.604 -10.488 459 1HG GLN 59 2HG GLN 59 26.188 -5.252 -11.803 460 2HG GLN 59 1HG GLN 59 24.955 -4.238 -11.054 461 1HE2 GLN 59 1HE2 GLN 59 26.215 -2.376 -11.178 462 2HE2 GLN 59 2HE2 GLN 59 27.606 -2.130 -10.184 463 H GLN 60 H GLN 60 22.513 -6.414 -9.190 464 HA GLN 60 HA GLN 60 21.339 -4.027 -10.130 465 1HB GLN 60 2HB GLN 60 20.525 -6.310 -10.693 466 2HB GLN 60 1HB GLN 60 19.945 -6.490 -9.043 467 1HG GLN 60 2HG GLN 60 18.388 -4.639 -9.375 468 2HG GLN 60 1HG GLN 60 18.988 -4.421 -11.018 469 1HE2 GLN 60 1HE2 GLN 60 16.962 -4.776 -11.907 470 2HE2 GLN 60 2HE2 GLN 60 16.235 -6.345 -11.969 471 H LEU 61 H LEU 61 21.317 -5.624 -6.973 472 HA LEU 61 HA LEU 61 19.568 -3.954 -5.590 473 1HB LEU 61 2HB LEU 61 22.091 -5.319 -4.627 474 2HB LEU 61 1HB LEU 61 20.943 -4.534 -3.561 475 HG LEU 61 HG LEU 61 20.308 -6.913 -5.321 476 1HD1 LEU 61 1HD1 LEU 61 21.890 -7.499 -3.552 477 2HD1 LEU 61 2HD1 LEU 61 20.305 -8.204 -3.245 478 3HD1 LEU 61 3HD1 LEU 61 20.823 -6.777 -2.346 479 1HD2 LEU 61 1HD2 LEU 61 18.244 -7.036 -4.010 480 2HD2 LEU 61 2HD2 LEU 61 18.362 -5.500 -4.869 481 3HD2 LEU 61 3HD2 LEU 61 18.702 -5.570 -3.140 482 H ALA 62 H ALA 62 23.083 -3.657 -6.030 483 HA ALA 62 HA ALA 62 23.454 -1.279 -4.606 484 1HB ALA 62 1HB ALA 62 25.570 -1.084 -5.811 485 2HB ALA 62 2HB ALA 62 25.028 -2.291 -6.978 486 3HB ALA 62 3HB ALA 62 25.292 -2.749 -5.295 487 H GLN 63 H GLN 63 22.757 -1.838 -8.034 488 HA GLN 63 HA GLN 63 22.952 0.817 -8.919 489 1HB GLN 63 2HB GLN 63 21.295 -1.478 -9.994 490 2HB GLN 63 1HB GLN 63 21.543 0.044 -10.840 491 1HG GLN 63 2HG GLN 63 23.713 -1.903 -10.069 492 2HG GLN 63 1HG GLN 63 23.001 -1.740 -11.672 493 1HE2 GLN 63 1HE2 GLN 63 22.847 1.178 -11.521 494 2HE2 GLN 63 2HE2 GLN 63 24.468 1.747 -11.710 495 H GLU 64 H GLU 64 20.027 -1.059 -8.069 496 HA GLU 64 HA GLU 64 18.232 1.068 -8.496 497 1HB GLU 64 2HB GLU 64 17.903 -1.389 -6.754 498 2HB GLU 64 1HB GLU 64 16.598 -0.316 -7.246 499 1HG GLU 64 2HG GLU 64 18.286 -2.065 -9.030 500 2HG GLU 64 1HG GLU 64 16.583 -2.280 -8.630 501 H ALA 65 H ALA 65 19.852 -0.080 -5.547 502 HA ALA 65 HA ALA 65 18.591 1.630 -3.708 503 1HB ALA 65 1HB ALA 65 19.991 -0.257 -3.016 504 2HB ALA 65 2HB ALA 65 20.529 1.245 -2.263 505 3HB ALA 65 3HB ALA 65 21.421 0.574 -3.630 506 H ARG 66 H ARG 66 21.429 2.082 -5.752 507 HA ARG 66 HA ARG 66 22.198 4.629 -4.830 508 1HB ARG 66 2HB ARG 66 23.606 3.147 -6.241 509 2HB ARG 66 1HB ARG 66 22.516 3.394 -7.592 510 1HG ARG 66 2HG ARG 66 23.974 5.689 -6.305 511 2HG ARG 66 1HG ARG 66 24.721 4.694 -7.553 512 1HD ARG 66 2HD ARG 66 22.250 6.409 -7.795 513 2HD ARG 66 1HD ARG 66 23.797 6.629 -8.609 514 HE ARG 66 HE ARG 66 21.911 4.417 -9.166 515 1HH1 ARG 66 1HH1 ARG 66 24.418 6.639 -10.201 516 2HH1 ARG 66 2HH1 ARG 66 24.325 6.165 -11.866 517 1HH2 ARG 66 1HH2 ARG 66 21.794 3.796 -11.359 518 2HH2 ARG 66 2HH2 ARG 66 22.821 4.567 -12.526 519 H ASN 67 H ASN 67 19.972 3.587 -7.379 520 HA ASN 67 HA ASN 67 19.337 6.098 -8.453 521 1HB ASN 67 2HB ASN 67 17.716 3.545 -8.277 522 2HB ASN 67 1HB ASN 67 17.168 4.969 -9.154 523 1HD2 ASN 67 1HD2 ASN 67 17.132 3.697 -11.054 524 2HD2 ASN 67 2HD2 ASN 67 18.591 3.346 -11.911 525 H ILE 68 H ILE 68 17.867 4.291 -5.782 526 HA ILE 68 HA ILE 68 15.837 6.230 -5.242 527 HB ILE 68 HB ILE 68 16.946 4.104 -3.385 528 1HG1 ILE 68 2HG1 ILE 68 14.571 3.953 -5.270 529 2HG1 ILE 68 1HG1 ILE 68 16.123 3.167 -5.537 530 1HG2 ILE 68 1HG2 ILE 68 14.306 5.580 -3.336 531 2HG2 ILE 68 2HG2 ILE 68 15.648 5.814 -2.216 532 3HG2 ILE 68 3HG2 ILE 68 14.780 4.280 -2.242 533 1HD1 ILE 68 1HD1 ILE 68 14.210 2.594 -3.282 534 2HD1 ILE 68 2HD1 ILE 68 15.774 1.815 -3.527 535 3HD1 ILE 68 3HD1 ILE 68 14.483 1.593 -4.707 536 H TYR 69 H TYR 69 19.084 5.612 -4.051 537 HA TYR 69 HA TYR 69 19.081 7.298 -1.818 538 1HB TYR 69 2HB TYR 69 20.859 5.629 -2.255 539 2HB TYR 69 1HB TYR 69 21.418 6.588 -3.616 540 HD1 TYR 69 1HD TYR 69 22.917 8.397 -3.297 541 HD2 TYR 69 2HD TYR 69 21.025 6.626 0.082 542 HE1 TYR 69 1HE TYR 69 24.388 9.682 -1.808 543 HE2 TYR 69 2HE TYR 69 22.495 7.906 1.580 544 HH TYR 69 HH TYR 69 24.631 9.037 1.553 545 H GLN 70 H GLN 70 20.412 7.944 -5.060 546 HA GLN 70 HA GLN 70 20.824 10.731 -4.429 547 1HB GLN 70 2HB GLN 70 21.212 9.209 -7.019 548 2HB GLN 70 1HB GLN 70 21.742 10.860 -6.722 549 1HG GLN 70 2HG GLN 70 23.249 10.057 -4.964 550 2HG GLN 70 1HG GLN 70 22.728 8.402 -5.275 551 1HE2 GLN 70 1HE2 GLN 70 25.388 9.538 -5.457 552 2HE2 GLN 70 2HE2 GLN 70 25.914 9.296 -7.085 553 H GLU 71 H GLU 71 18.150 10.238 -4.179 554 HA GLU 71 HA GLU 71 17.030 12.030 -6.137 555 1HB GLU 71 2HB GLU 71 16.911 9.534 -6.999 556 2HB GLU 71 1HB GLU 71 15.576 9.414 -5.863 557 1HG GLU 71 2HG GLU 71 14.625 9.910 -7.964 558 2HG GLU 71 1HG GLU 71 14.548 11.402 -7.024 559 H PHE 72 H PHE 72 16.089 9.607 -3.698 560 HA PHE 72 HA PHE 72 14.217 11.558 -2.523 561 1HB PHE 72 2HB PHE 72 14.336 8.543 -2.220 562 2HB PHE 72 1HB PHE 72 13.143 9.592 -1.467 563 HD1 PHE 72 1HD PHE 72 11.303 10.492 -2.732 564 HD2 PHE 72 2HD PHE 72 14.281 8.102 -4.622 565 HE1 PHE 72 1HE PHE 72 9.841 10.227 -4.694 566 HE2 PHE 72 2HE PHE 72 12.826 7.842 -6.588 567 HZ PHE 72 HZ PHE 72 10.605 8.905 -6.626 568 H LEU 73 H LEU 73 17.088 9.705 -1.879 569 HA LEU 73 HA LEU 73 16.811 10.177 1.023 570 1HB LEU 73 2HB LEU 73 18.238 7.930 -0.404 571 2HB LEU 73 1HB LEU 73 18.134 8.130 1.335 572 HG LEU 73 HG LEU 73 15.731 7.721 -0.455 573 1HD1 LEU 73 1HD1 LEU 73 17.192 5.692 1.234 574 2HD1 LEU 73 2HD1 LEU 73 17.176 5.753 -0.527 575 3HD1 LEU 73 3HD1 LEU 73 15.686 5.424 0.355 576 1HD2 LEU 73 1HD2 LEU 73 16.056 7.618 2.547 577 2HD2 LEU 73 2HD2 LEU 73 14.584 7.211 1.664 578 3HD2 LEU 73 3HD2 LEU 73 15.207 8.860 1.624 579 H SER 74 H SER 74 18.351 11.521 -1.428 580 HA SER 74 HA SER 74 21.012 11.631 -0.258 581 1HB SER 74 2HB SER 74 21.436 13.205 -2.213 582 2HB SER 74 1HB SER 74 20.976 11.561 -2.650 583 HG SER 74 HG SER 74 19.879 13.526 -3.671 584 H SER 75 H SER 75 22.001 13.798 0.165 585 HA SER 75 HA SER 75 20.384 15.325 1.934 586 1HB SER 75 2HB SER 75 23.102 15.988 0.758 587 2HB SER 75 1HB SER 75 22.365 16.763 2.162 588 HG SER 75 HG SER 75 23.644 15.223 3.010 589 H GLN 76 H GLN 76 21.598 15.825 -1.336 590 HA GLN 76 HA GLN 76 20.055 18.297 -1.630 591 1HB GLN 76 2HB GLN 76 22.126 16.914 -3.346 592 2HB GLN 76 1HB GLN 76 21.155 18.240 -3.966 593 1HG GLN 76 2HG GLN 76 23.299 19.066 -3.255 594 2HG GLN 76 1HG GLN 76 22.042 19.703 -2.201 595 1HE2 GLN 76 1HE2 GLN 76 24.743 17.508 -2.444 596 2HE2 GLN 76 2HE2 GLN 76 24.968 17.289 -0.746 597 H ALA 77 H ALA 77 18.615 15.883 -1.236 598 HA ALA 77 HA ALA 77 17.718 14.711 -3.651 599 1HB ALA 77 1HB ALA 77 17.482 13.604 -1.480 600 2HB ALA 77 2HB ALA 77 15.923 13.753 -2.293 601 3HB ALA 77 3HB ALA 77 16.334 14.843 -0.968 602 H LEU 78 H LEU 78 15.935 15.111 -4.908 603 HA LEU 78 HA LEU 78 14.961 17.804 -4.983 604 1HB LEU 78 2HB LEU 78 14.287 15.326 -6.574 605 2HB LEU 78 1HB LEU 78 13.451 16.847 -6.821 606 HG LEU 78 HG LEU 78 15.622 17.912 -7.416 607 1HD1 LEU 78 1HD1 LEU 78 17.140 16.450 -6.206 608 2HD1 LEU 78 2HD1 LEU 78 17.559 16.500 -7.918 609 3HD1 LEU 78 3HD1 LEU 78 16.710 15.101 -7.258 610 1HD2 LEU 78 1HD2 LEU 78 15.822 16.877 -9.627 611 2HD2 LEU 78 2HD2 LEU 78 14.135 17.086 -9.163 612 3HD2 LEU 78 3HD2 LEU 78 14.884 15.491 -9.068 613 H SER 79 H SER 79 13.850 14.794 -3.679 614 HA SER 79 HA SER 79 11.649 16.199 -2.383 615 1HB SER 79 2HB SER 79 10.100 14.268 -2.888 616 2HB SER 79 1HB SER 79 10.518 15.257 -4.288 617 HG SER 79 HG SER 79 11.766 12.803 -3.574 618 HA PRO 80 HA PRO 80 14.044 13.638 0.628 619 1HB PRO 80 2HB PRO 80 12.925 15.749 2.403 620 2HB PRO 80 1HB PRO 80 14.580 15.141 2.285 621 1HG PRO 80 2HG PRO 80 13.938 17.545 1.319 622 2HG PRO 80 1HG PRO 80 15.092 16.498 0.470 623 1HD PRO 80 2HD PRO 80 12.201 17.023 -0.145 624 2HD PRO 80 1HD PRO 80 13.581 16.872 -1.255 625 H VAL 81 H VAL 81 13.114 11.946 1.592 626 HA VAL 81 HA VAL 81 10.298 11.610 1.592 627 HB VAL 81 HB VAL 81 12.277 9.877 3.090 628 1HG1 VAL 81 1HG1 VAL 81 10.668 8.092 2.612 629 2HG1 VAL 81 2HG1 VAL 81 9.612 9.259 1.816 630 3HG1 VAL 81 3HG1 VAL 81 9.937 9.398 3.544 631 1HG2 VAL 81 1HG2 VAL 81 13.100 10.205 0.813 632 2HG2 VAL 81 2HG2 VAL 81 11.524 9.745 0.166 633 3HG2 VAL 81 3HG2 VAL 81 12.503 8.559 1.030 634 H ASN 82 H ASN 82 12.491 12.886 3.906 635 HA ASN 82 HA ASN 82 12.207 13.923 5.899 636 1HB ASN 82 2HB ASN 82 9.269 13.679 5.203 637 2HB ASN 82 1HB ASN 82 9.889 14.613 6.561 638 1HD2 ASN 82 1HD2 ASN 82 8.406 15.439 4.148 639 2HD2 ASN 82 2HD2 ASN 82 9.378 16.651 3.399 640 H ILE 83 H ILE 83 11.965 10.876 5.551 641 HA ILE 83 HA ILE 83 10.679 10.009 7.985 642 HB ILE 83 HB ILE 83 11.817 7.815 7.447 643 1HG1 ILE 83 2HG1 ILE 83 12.734 9.395 5.024 644 2HG1 ILE 83 1HG1 ILE 83 13.760 8.649 6.243 645 1HG2 ILE 83 1HG2 ILE 83 9.534 8.288 6.735 646 2HG2 ILE 83 2HG2 ILE 83 10.379 7.321 5.527 647 3HG2 ILE 83 3HG2 ILE 83 10.137 9.048 5.262 648 1HD1 ILE 83 1HD1 ILE 83 12.987 6.440 5.508 649 2HD1 ILE 83 2HD1 ILE 83 13.772 7.349 4.218 650 3HD1 ILE 83 3HD1 ILE 83 12.015 7.214 4.256 651 H ASP 84 H ASP 84 12.621 8.159 8.944 652 HA ASP 84 HA ASP 84 14.159 9.743 10.679 653 1HB ASP 84 2HB ASP 84 15.418 7.545 11.118 654 2HB ASP 84 1HB ASP 84 13.692 7.569 11.454 655 H ARG 85 H ARG 85 15.369 11.224 9.632 656 HA ARG 85 HA ARG 85 17.416 10.302 7.716 657 1HB ARG 85 2HB ARG 85 16.111 13.003 8.124 658 2HB ARG 85 1HB ARG 85 17.473 12.740 7.044 659 1HG ARG 85 2HG ARG 85 14.925 11.175 6.748 660 2HG ARG 85 1HG ARG 85 15.110 12.782 6.043 661 1HD ARG 85 2HD ARG 85 16.959 10.450 5.524 662 2HD ARG 85 1HD ARG 85 15.642 10.950 4.459 663 HE ARG 85 HE ARG 85 17.045 13.223 4.699 664 1HH1 ARG 85 1HH1 ARG 85 18.098 9.962 3.961 665 2HH1 ARG 85 2HH1 ARG 85 19.418 10.485 2.966 666 1HH2 ARG 85 1HH2 ARG 85 18.771 13.903 3.412 667 2HH2 ARG 85 2HH2 ARG 85 19.819 12.728 2.675 668 H GLN 86 H GLN 86 16.945 11.591 10.843 669 HA GLN 86 HA GLN 86 19.347 13.142 11.026 670 1HB GLN 86 2HB GLN 86 17.751 12.017 13.339 671 2HB GLN 86 1HB GLN 86 18.790 13.436 13.338 672 1HG GLN 86 2HG GLN 86 16.134 13.134 11.949 673 2HG GLN 86 1HG GLN 86 16.487 14.124 13.364 674 1HE2 GLN 86 1HE2 GLN 86 15.393 14.859 10.752 675 2HE2 GLN 86 2HE2 GLN 86 16.440 16.085 10.127 676 H ALA 87 H ALA 87 18.419 9.854 11.740 677 HA ALA 87 HA ALA 87 21.222 9.202 12.407 678 1HB ALA 87 1HB ALA 87 19.851 9.170 14.444 679 2HB ALA 87 2HB ALA 87 20.405 7.550 14.022 680 3HB ALA 87 3HB ALA 87 18.740 8.029 13.682 681 H TRP 88 H TRP 88 20.110 9.110 9.834 682 HA TRP 88 HA TRP 88 19.031 6.543 9.227 683 1HB TRP 88 2HB TRP 88 18.787 8.767 7.908 684 2HB TRP 88 1HB TRP 88 20.340 8.342 7.191 685 HD1 TRP 88 HD TRP 88 17.120 6.259 7.843 686 HE1 TRP 88 1HE TRP 88 16.520 5.025 5.673 687 HE3 TRP 88 3HE TRP 88 20.852 8.037 4.829 688 HZ2 TRP 88 2HZ TRP 88 17.484 4.833 3.040 689 HZ3 TRP 88 3HZ TRP 88 20.933 7.275 2.486 690 HH2 TRP 88 HH TRP 88 19.284 5.708 1.616 691 H LEU 89 H LEU 89 20.187 5.240 7.370 692 HA LEU 89 HA LEU 89 22.878 4.596 8.406 693 1HB LEU 89 2HB LEU 89 22.408 2.257 8.003 694 2HB LEU 89 1HB LEU 89 21.165 2.936 9.033 695 HG LEU 89 HG LEU 89 20.792 2.519 6.056 696 1HD1 LEU 89 1HD1 LEU 89 21.219 0.364 7.118 697 2HD1 LEU 89 2HD1 LEU 89 19.535 0.505 6.614 698 3HD1 LEU 89 3HD1 LEU 89 19.966 0.694 8.316 699 1HD2 LEU 89 1HD2 LEU 89 19.272 4.150 7.039 700 2HD2 LEU 89 2HD2 LEU 89 18.815 2.997 8.292 701 3HD2 LEU 89 3HD2 LEU 89 18.403 2.678 6.606 702 H GLY 90 H GLY 90 22.418 6.389 6.230 703 1HA GLY 90 2HA GLY 90 22.217 5.337 3.691 704 2HA GLY 90 1HA GLY 90 23.071 6.816 4.081 705 H GLU 91 H GLU 91 25.352 6.324 5.085 706 HA GLU 91 HA GLU 91 26.788 5.323 2.872 707 1HB GLU 91 2HB GLU 91 27.472 7.132 4.556 708 2HB GLU 91 1HB GLU 91 27.946 5.821 5.621 709 1HG GLU 91 2HG GLU 91 29.056 6.125 2.842 710 2HG GLU 91 1HG GLU 91 29.767 6.928 4.236 711 H GLU 92 H GLU 92 25.909 3.914 5.969 712 HA GLU 92 HA GLU 92 27.753 1.712 5.727 713 1HB GLU 92 2HB GLU 92 26.741 0.916 7.825 714 2HB GLU 92 1HB GLU 92 27.253 2.594 7.932 715 1HG GLU 92 2HG GLU 92 24.915 3.300 7.563 716 2HG GLU 92 1HG GLU 92 24.431 1.605 7.553 717 H VAL 93 H VAL 93 24.595 2.364 4.580 718 HA VAL 93 HA VAL 93 24.044 -0.497 4.286 719 HB VAL 93 HB VAL 93 22.223 1.118 5.071 720 1HG1 VAL 93 1HG1 VAL 93 22.133 1.835 2.142 721 2HG1 VAL 93 2HG1 VAL 93 22.621 2.908 3.456 722 3HG1 VAL 93 3HG1 VAL 93 20.963 2.316 3.372 723 1HG2 VAL 93 1HG2 VAL 93 21.662 -0.651 2.686 724 2HG2 VAL 93 2HG2 VAL 93 20.459 -0.071 3.838 725 3HG2 VAL 93 3HG2 VAL 93 21.736 -1.163 4.372 726 H LEU 94 H LEU 94 24.585 2.424 2.336 727 HA LEU 94 HA LEU 94 24.319 1.154 -0.188 728 1HB LEU 94 2HB LEU 94 25.548 3.721 0.736 729 2HB LEU 94 1HB LEU 94 25.931 3.146 -0.873 730 HG LEU 94 HG LEU 94 24.159 4.700 -1.120 731 1HD1 LEU 94 1HD1 LEU 94 22.370 3.380 -2.088 732 2HD1 LEU 94 2HD1 LEU 94 22.928 1.948 -1.220 733 3HD1 LEU 94 3HD1 LEU 94 23.939 2.670 -2.475 734 1HD2 LEU 94 1HD2 LEU 94 22.050 4.594 0.070 735 2HD2 LEU 94 2HD2 LEU 94 23.389 4.742 1.209 736 3HD2 LEU 94 3HD2 LEU 94 22.602 3.182 0.969 737 H ALA 95 H ALA 95 26.896 1.372 2.120 738 HA ALA 95 HA ALA 95 29.110 0.710 0.580 739 1HB ALA 95 1HB ALA 95 29.251 1.385 2.926 740 2HB ALA 95 2HB ALA 95 30.100 -0.137 2.655 741 3HB ALA 95 3HB ALA 95 28.509 -0.138 3.417 742 H GLU 96 H GLU 96 26.546 -1.331 1.838 743 HA GLU 96 HA GLU 96 27.398 -3.517 0.099 744 1HB GLU 96 2HB GLU 96 26.889 -3.873 3.071 745 2HB GLU 96 1HB GLU 96 27.073 -5.189 1.921 746 1HG GLU 96 2HG GLU 96 29.377 -4.475 1.476 747 2HG GLU 96 1HG GLU 96 29.187 -3.160 2.636 748 HA PRO 97 HA PRO 97 22.933 -2.853 -0.283 749 1HB PRO 97 2HB PRO 97 22.564 -4.341 -2.530 750 2HB PRO 97 1HB PRO 97 23.187 -2.685 -2.557 751 1HG PRO 97 2HG PRO 97 24.681 -5.271 -2.759 752 2HG PRO 97 1HG PRO 97 24.938 -3.753 -3.642 753 1HD PRO 97 2HD PRO 97 26.467 -4.519 -1.513 754 2HD PRO 97 1HD PRO 97 26.162 -2.822 -1.927 755 H ARG 98 H ARG 98 21.028 -4.207 -0.261 756 HA ARG 98 HA ARG 98 21.230 -7.024 0.225 757 1HB ARG 98 2HB ARG 98 20.580 -6.952 2.600 758 2HB ARG 98 1HB ARG 98 22.128 -6.156 2.351 759 1HG ARG 98 2HG ARG 98 20.637 -3.994 2.183 760 2HG ARG 98 1HG ARG 98 19.486 -4.980 3.084 761 1HD ARG 98 2HD ARG 98 20.780 -3.717 4.658 762 2HD ARG 98 1HD ARG 98 21.282 -5.405 4.773 763 HE ARG 98 HE ARG 98 22.973 -4.148 2.944 764 1HH1 ARG 98 1HH1 ARG 98 22.249 -3.934 6.371 765 2HH1 ARG 98 2HH1 ARG 98 23.841 -3.376 6.788 766 1HH2 ARG 98 1HH2 ARG 98 25.041 -3.415 3.499 767 2HH2 ARG 98 2HH2 ARG 98 25.438 -3.106 5.162 768 HA PRO 99 HA PRO 99 17.004 -6.758 -1.064 769 1HB PRO 99 2HB PRO 99 15.858 -8.812 0.368 770 2HB PRO 99 1HB PRO 99 16.845 -9.054 -1.079 771 1HG PRO 99 2HG PRO 99 17.644 -9.242 1.809 772 2HG PRO 99 1HG PRO 99 18.041 -10.333 0.466 773 1HD PRO 99 2HD PRO 99 19.812 -8.525 1.342 774 2HD PRO 99 1HD PRO 99 19.661 -8.888 -0.391 775 H ASP 100 H ASP 100 17.847 -6.630 2.279 776 HA ASP 100 HA ASP 100 15.244 -5.456 3.020 777 1HB ASP 100 2HB ASP 100 16.506 -7.420 4.319 778 2HB ASP 100 1HB ASP 100 17.381 -6.075 5.042 779 H MET 101 H MET 101 16.863 -3.986 1.397 780 HA MET 101 HA MET 101 18.883 -2.445 2.546 781 1HB MET 101 2HB MET 101 18.181 -2.764 0.070 782 2HB MET 101 1HB MET 101 17.094 -1.415 0.355 783 1HG MET 101 2HG MET 101 19.036 -0.515 -0.618 784 2HG MET 101 1HG MET 101 19.111 -0.097 1.094 785 1HE MET 101 1HE MET 101 21.575 -0.069 -1.045 786 2HE MET 101 2HE MET 101 22.868 -0.686 -0.018 787 3HE MET 101 3HE MET 101 21.718 0.488 0.623 788 H PHE 102 H PHE 102 15.675 -1.185 1.626 789 HA PHE 102 HA PHE 102 15.821 0.683 3.913 790 1HB PHE 102 2HB PHE 102 14.522 1.253 1.233 791 2HB PHE 102 1HB PHE 102 14.783 2.388 2.550 792 HD1 PHE 102 1HD PHE 102 17.514 2.211 3.281 793 HD2 PHE 102 2HD PHE 102 15.793 1.786 -0.598 794 HE1 PHE 102 1HE PHE 102 19.636 2.912 2.258 795 HE2 PHE 102 2HE PHE 102 17.919 2.485 -1.620 796 HZ PHE 102 HZ PHE 102 19.845 3.046 -0.191 797 H ARG 103 H ARG 103 14.527 -1.971 3.717 798 HA ARG 103 HA ARG 103 11.768 -1.685 3.146 799 1HB ARG 103 2HB ARG 103 12.965 -3.865 3.141 800 2HB ARG 103 1HB ARG 103 13.093 -3.774 4.894 801 1HG ARG 103 2HG ARG 103 10.667 -3.842 5.098 802 2HG ARG 103 1HG ARG 103 10.504 -3.854 3.340 803 1HD ARG 103 2HD ARG 103 10.228 -6.096 4.225 804 2HD ARG 103 1HD ARG 103 11.699 -5.999 3.258 805 HE ARG 103 HE ARG 103 12.892 -5.765 5.467 806 1HH1 ARG 103 1HH1 ARG 103 9.822 -7.446 5.198 807 2HH1 ARG 103 2HH1 ARG 103 10.131 -8.481 6.557 808 1HH2 ARG 103 1HH2 ARG 103 13.307 -7.134 7.231 809 2HH2 ARG 103 2HH2 ARG 103 12.119 -8.308 7.717 810 H ALA 104 H ALA 104 13.668 -1.288 6.075 811 HA ALA 104 HA ALA 104 11.572 -1.071 7.934 812 1HB ALA 104 1HB ALA 104 14.239 0.358 7.922 813 2HB ALA 104 2HB ALA 104 13.924 -1.240 8.601 814 3HB ALA 104 3HB ALA 104 13.169 0.186 9.315 815 H GLN 105 H GLN 105 13.166 1.350 5.911 816 HA GLN 105 HA GLN 105 11.562 3.545 6.755 817 1HB GLN 105 2HB GLN 105 13.347 3.135 4.345 818 2HB GLN 105 1HB GLN 105 12.518 4.649 4.678 819 1HG GLN 105 2HG GLN 105 14.775 4.826 5.444 820 2HG GLN 105 1HG GLN 105 13.710 4.786 6.845 821 1HE2 GLN 105 1HE2 GLN 105 15.350 4.119 8.218 822 2HE2 GLN 105 2HE2 GLN 105 16.010 2.517 8.170 823 H GLN 106 H GLN 106 11.254 1.077 4.338 824 HA GLN 106 HA GLN 106 9.240 2.171 2.719 825 1HB GLN 106 2HB GLN 106 10.423 0.126 2.106 826 2HB GLN 106 1HB GLN 106 9.774 -0.707 3.511 827 1HG GLN 106 2HG GLN 106 7.490 -0.390 2.547 828 2HG GLN 106 1HG GLN 106 8.254 0.245 1.091 829 1HE2 GLN 106 1HE2 GLN 106 10.516 -1.623 1.300 830 2HE2 GLN 106 2HE2 GLN 106 9.901 -3.159 0.805 831 H LEU 107 H LEU 107 8.993 0.053 5.573 832 HA LEU 107 HA LEU 107 6.147 0.274 5.717 833 1HB LEU 107 2HB LEU 107 8.244 -0.899 7.516 834 2HB LEU 107 1HB LEU 107 6.591 -0.739 8.076 835 HG LEU 107 HG LEU 107 6.979 -2.986 7.244 836 1HD1 LEU 107 1HD1 LEU 107 5.151 -3.161 5.646 837 2HD1 LEU 107 2HD1 LEU 107 5.217 -1.421 5.365 838 3HD1 LEU 107 3HD1 LEU 107 4.754 -2.042 6.951 839 1HD2 LEU 107 1HD2 LEU 107 8.792 -2.537 5.681 840 2HD2 LEU 107 2HD2 LEU 107 7.674 -1.700 4.605 841 3HD2 LEU 107 3HD2 LEU 107 7.491 -3.430 4.894 842 H GLN 108 H GLN 108 8.762 2.190 6.869 843 HA GLN 108 HA GLN 108 7.512 3.616 8.939 844 1HB GLN 108 2HB GLN 108 9.912 3.833 8.326 845 2HB GLN 108 1HB GLN 108 9.449 4.661 6.848 846 1HG GLN 108 2HG GLN 108 10.130 6.328 8.372 847 2HG GLN 108 1HG GLN 108 8.372 6.419 8.290 848 1HE2 GLN 108 1HE2 GLN 108 11.117 5.599 10.242 849 2HE2 GLN 108 2HE2 GLN 108 10.266 5.452 11.742 850 H ILE 109 H ILE 109 7.723 4.366 5.465 851 HA ILE 109 HA ILE 109 5.874 6.493 5.453 852 HB ILE 109 HB ILE 109 6.786 4.615 3.264 853 1HG1 ILE 109 2HG1 ILE 109 8.490 6.143 4.166 854 2HG1 ILE 109 1HG1 ILE 109 8.084 6.553 2.502 855 1HG2 ILE 109 1HG2 ILE 109 4.571 5.387 2.650 856 2HG2 ILE 109 2HG2 ILE 109 5.782 6.180 1.645 857 3HG2 ILE 109 3HG2 ILE 109 5.033 7.058 2.978 858 1HD1 ILE 109 1HD1 ILE 109 7.075 7.969 4.963 859 2HD1 ILE 109 2HD1 ILE 109 6.681 8.385 3.293 860 3HD1 ILE 109 3HD1 ILE 109 8.339 8.538 3.872 861 H PHE 110 H PHE 110 5.506 3.038 4.799 862 HA PHE 110 HA PHE 110 2.860 2.992 3.981 863 1HB PHE 110 2HB PHE 110 4.379 1.052 3.855 864 2HB PHE 110 1HB PHE 110 4.334 0.896 5.606 865 HD1 PHE 110 1HD PHE 110 2.484 0.424 2.493 866 HD2 PHE 110 2HD PHE 110 2.373 -0.017 6.727 867 HE1 PHE 110 1HE PHE 110 0.504 -1.016 2.289 868 HE2 PHE 110 2HE PHE 110 0.391 -1.457 6.526 869 HZ PHE 110 HZ PHE 110 -0.548 -1.954 4.305 870 H ASN 111 H ASN 111 4.114 2.483 7.282 871 HA ASN 111 HA ASN 111 1.520 2.287 8.450 872 1HB ASN 111 2HB ASN 111 4.276 2.632 9.647 873 2HB ASN 111 1HB ASN 111 2.822 2.485 10.629 874 1HD2 ASN 111 1HD2 ASN 111 5.228 0.732 10.278 875 2HD2 ASN 111 2HD2 ASN 111 4.579 -0.828 9.913 876 H LEU 112 H LEU 112 3.531 4.930 7.598 877 HA LEU 112 HA LEU 112 2.513 6.864 9.413 878 1HB LEU 112 2HB LEU 112 4.603 6.993 7.921 879 2HB LEU 112 1HB LEU 112 3.517 7.421 6.615 880 HG LEU 112 HG LEU 112 3.785 9.022 9.175 881 1HD1 LEU 112 1HD1 LEU 112 5.903 9.021 7.976 882 2HD1 LEU 112 2HD1 LEU 112 5.122 10.598 7.865 883 3HD1 LEU 112 3HD1 LEU 112 5.081 9.495 6.488 884 1HD2 LEU 112 1HD2 LEU 112 2.497 9.688 6.521 885 2HD2 LEU 112 2HD2 LEU 112 2.696 10.803 7.874 886 3HD2 LEU 112 3HD2 LEU 112 1.661 9.387 8.045 887 H MET 113 H MET 113 1.781 6.273 5.966 888 HA MET 113 HA MET 113 -0.496 8.026 6.012 889 1HB MET 113 2HB MET 113 0.366 6.048 3.893 890 2HB MET 113 1HB MET 113 -0.836 7.306 3.692 891 1HG MET 113 2HG MET 113 2.081 7.772 4.288 892 2HG MET 113 1HG MET 113 1.306 7.948 2.711 893 1HE MET 113 1HE MET 113 2.428 10.465 2.703 894 2HE MET 113 2HE MET 113 3.045 10.209 4.335 895 3HE MET 113 3HE MET 113 2.101 11.651 3.965 896 H LYS 114 H LYS 114 0.025 4.719 6.685 897 HA LYS 114 HA LYS 114 -2.410 3.536 6.023 898 1HB LYS 114 2HB LYS 114 -0.382 2.327 6.795 899 2HB LYS 114 1HB LYS 114 -0.656 2.937 8.420 900 1HG LYS 114 2HG LYS 114 -2.755 1.714 8.548 901 2HG LYS 114 1HG LYS 114 -2.537 1.140 6.893 902 1HD LYS 114 2HD LYS 114 -0.483 -0.029 7.579 903 2HD LYS 114 1HD LYS 114 -0.716 0.539 9.234 904 1HE LYS 114 2HE LYS 114 -2.611 -1.247 7.701 905 2HE LYS 114 1HE LYS 114 -1.478 -1.777 8.944 906 1HZ LYS 114 1HZ LYS 114 -3.739 0.106 9.350 907 2HZ LYS 114 2HZ LYS 114 -2.647 -0.386 10.541 908 3HZ LYS 114 3HZ LYS 114 -3.694 -1.509 9.841 909 H PHE 115 H PHE 115 -1.682 5.856 8.451 910 HA PHE 115 HA PHE 115 -4.323 5.448 9.705 911 1HB PHE 115 2HB PHE 115 -2.357 4.873 11.163 912 2HB PHE 115 1HB PHE 115 -1.825 6.543 11.033 913 HD1 PHE 115 1HD PHE 115 -2.410 7.988 12.743 914 HD2 PHE 115 2HD PHE 115 -4.876 4.595 11.977 915 HE1 PHE 115 1HE PHE 115 -3.806 8.566 14.682 916 HE2 PHE 115 2HE PHE 115 -6.275 5.175 13.916 917 HZ PHE 115 HZ PHE 115 -5.741 7.161 15.271 918 H ASP 116 H ASP 116 -3.274 7.226 7.414 919 HA ASP 116 HA ASP 116 -4.513 9.688 8.394 920 1HB ASP 116 2HB ASP 116 -2.087 10.066 8.685 921 2HB ASP 116 1HB ASP 116 -1.829 9.708 6.980 922 H SER 117 H SER 117 -2.669 9.367 5.403 923 HA SER 117 HA SER 117 -4.776 10.434 3.890 924 1HB SER 117 2HB SER 117 -3.345 9.738 1.904 925 2HB SER 117 1HB SER 117 -2.563 10.782 3.091 926 HG SER 117 HG SER 117 -1.128 9.290 3.275 927 H TYR 118 H TYR 118 -3.661 7.070 4.308 928 HA TYR 118 HA TYR 118 -5.456 5.788 2.621 929 1HB TYR 118 2HB TYR 118 -3.865 4.428 3.749 930 2HB TYR 118 1HB TYR 118 -4.386 4.993 5.333 931 HD1 TYR 118 1HD TYR 118 -5.644 3.512 6.592 932 HD2 TYR 118 2HD TYR 118 -5.883 3.273 2.346 933 HE1 TYR 118 1HE TYR 118 -7.167 1.595 6.791 934 HE2 TYR 118 2HE TYR 118 -7.408 1.353 2.538 935 HH TYR 118 HH TYR 118 -8.911 0.479 5.439 936 H ALA 119 H ALA 119 -5.991 6.538 6.073 937 HA ALA 119 HA ALA 119 -8.676 5.677 6.136 938 1HB ALA 119 1HB ALA 119 -7.293 5.950 8.149 939 2HB ALA 119 2HB ALA 119 -8.814 6.832 8.280 940 3HB ALA 119 3HB ALA 119 -7.319 7.700 7.927 941 H ARG 120 H ARG 120 -7.200 8.696 5.267 942 HA ARG 120 HA ARG 120 -9.576 10.279 5.348 943 1HB ARG 120 2HB ARG 120 -7.497 11.379 5.694 944 2HB ARG 120 1HB ARG 120 -6.800 10.691 4.237 945 1HG ARG 120 2HG ARG 120 -8.006 12.150 2.843 946 2HG ARG 120 1HG ARG 120 -9.107 12.616 4.142 947 1HD ARG 120 2HD ARG 120 -7.278 14.287 3.496 948 2HD ARG 120 1HD ARG 120 -7.484 13.932 5.208 949 HE ARG 120 HE ARG 120 -5.483 12.618 5.139 950 1HH1 ARG 120 1HH1 ARG 120 -6.099 14.406 2.192 951 2HH1 ARG 120 2HH1 ARG 120 -4.429 14.446 1.718 952 1HH2 ARG 120 1HH2 ARG 120 -3.270 12.681 4.521 953 2HH2 ARG 120 2HH2 ARG 120 -2.833 13.470 3.026 954 H PHE 121 H PHE 121 -7.827 8.515 2.840 955 HA PHE 121 HA PHE 121 -9.215 9.569 0.617 956 1HB PHE 121 2HB PHE 121 -7.092 8.434 0.307 957 2HB PHE 121 1HB PHE 121 -7.752 6.937 0.958 958 HD1 PHE 121 1HD PHE 121 -8.651 5.344 -0.486 959 HD2 PHE 121 2HD PHE 121 -8.206 9.358 -1.846 960 HE1 PHE 121 1HE PHE 121 -9.310 4.646 -2.748 961 HE2 PHE 121 2HE PHE 121 -8.866 8.660 -4.113 962 HZ PHE 121 HZ PHE 121 -9.418 6.304 -4.566 963 H VAL 122 H VAL 122 -9.734 6.648 2.573 964 HA VAL 122 HA VAL 122 -11.919 5.699 1.013 965 HB VAL 122 HB VAL 122 -12.364 4.132 2.857 966 1HG1 VAL 122 1HG1 VAL 122 -10.215 2.954 2.830 967 2HG1 VAL 122 2HG1 VAL 122 -9.423 4.409 2.221 968 3HG1 VAL 122 3HG1 VAL 122 -10.628 3.582 1.233 969 1HG2 VAL 122 1HG2 VAL 122 -10.219 5.656 4.345 970 2HG2 VAL 122 2HG2 VAL 122 -10.947 4.136 4.867 971 3HG2 VAL 122 3HG2 VAL 122 -11.934 5.594 4.758 972 H LYS 123 H LYS 123 -11.699 8.310 3.079 973 HA LYS 123 HA LYS 123 -14.584 8.267 3.680 974 1HB LYS 123 2HB LYS 123 -12.345 9.832 4.990 975 2HB LYS 123 1HB LYS 123 -14.052 10.072 5.345 976 1HG LYS 123 2HG LYS 123 -14.192 7.706 6.078 977 2HG LYS 123 1HG LYS 123 -12.453 7.555 5.820 978 1HD LYS 123 2HD LYS 123 -13.781 9.492 7.729 979 2HD LYS 123 1HD LYS 123 -13.030 7.965 8.189 980 1HE LYS 123 2HE LYS 123 -10.871 8.788 7.346 981 2HE LYS 123 1HE LYS 123 -11.630 10.318 6.911 982 1HZ LYS 123 1HZ LYS 123 -12.100 10.735 9.213 983 2HZ LYS 123 2HZ LYS 123 -10.450 10.404 9.046 984 3HZ LYS 123 3HZ LYS 123 -11.492 9.224 9.668 985 H SER 124 H SER 124 -12.289 9.553 1.618 986 HA SER 124 HA SER 124 -13.603 12.070 1.099 987 1HB SER 124 2HB SER 124 -11.469 10.571 -0.457 988 2HB SER 124 1HB SER 124 -12.012 12.211 -0.810 989 HG SER 124 HG SER 124 -11.079 11.537 1.761 990 HA PRO 125 HA PRO 125 -16.584 10.755 -1.965 991 1HB PRO 125 2HB PRO 125 -16.188 12.626 -3.954 992 2HB PRO 125 1HB PRO 125 -17.128 12.924 -2.487 993 1HG PRO 125 2HG PRO 125 -14.279 13.643 -3.089 994 2HG PRO 125 1HG PRO 125 -15.535 14.614 -2.294 995 1HD PRO 125 2HD PRO 125 -13.630 13.368 -0.873 996 2HD PRO 125 1HD PRO 125 -15.297 13.488 -0.268 997 H LEU 126 H LEU 126 -16.501 10.728 -4.665 998 HA LEU 126 HA LEU 126 -15.717 9.638 -6.478 999 1HB LEU 126 2HB LEU 126 -13.656 10.979 -6.144 1000 2HB LEU 126 1HB LEU 126 -13.010 9.711 -5.123 1001 HG LEU 126 HG LEU 126 -13.767 9.118 -7.978 1002 1HD1 LEU 126 1HD1 LEU 126 -11.125 10.256 -7.052 1003 2HD1 LEU 126 2HD1 LEU 126 -12.307 11.075 -8.073 1004 3HD1 LEU 126 3HD1 LEU 126 -11.480 9.637 -8.666 1005 1HD2 LEU 126 1HD2 LEU 126 -11.706 7.939 -6.101 1006 2HD2 LEU 126 2HD2 LEU 126 -12.011 7.413 -7.757 1007 3HD2 LEU 126 3HD2 LEU 126 -13.258 7.215 -6.527 1008 H TYR 127 H TYR 127 -14.026 8.235 -3.604 1009 HA TYR 127 HA TYR 127 -14.090 5.589 -4.536 1010 1HB TYR 127 2HB TYR 127 -12.672 6.282 -2.660 1011 2HB TYR 127 1HB TYR 127 -14.093 6.602 -1.677 1012 HD1 TYR 127 1HD TYR 127 -13.348 5.115 0.098 1013 HD2 TYR 127 2HD TYR 127 -13.927 3.623 -3.851 1014 HE1 TYR 127 1HE TYR 127 -13.255 2.812 0.954 1015 HE2 TYR 127 2HE TYR 127 -13.839 1.317 -2.994 1016 HH TYR 127 HH TYR 127 -12.966 0.102 -1.113 1017 H ARG 128 H ARG 128 -16.305 7.275 -2.330 1018 HA ARG 128 HA ARG 128 -18.181 5.254 -1.951 1019 1HB ARG 128 2HB ARG 128 -18.597 8.253 -2.101 1020 2HB ARG 128 1HB ARG 128 -19.784 7.117 -1.476 1021 1HG ARG 128 2HG ARG 128 -17.021 7.474 -0.317 1022 2HG ARG 128 1HG ARG 128 -18.459 8.309 0.272 1023 1HD ARG 128 2HD ARG 128 -18.095 5.308 0.169 1024 2HD ARG 128 1HD ARG 128 -17.921 6.309 1.611 1025 HE ARG 128 HE ARG 128 -20.433 6.859 0.620 1026 1HH1 ARG 128 1HH1 ARG 128 -18.745 4.020 1.809 1027 2HH1 ARG 128 2HH1 ARG 128 -20.196 3.255 2.382 1028 1HH2 ARG 128 1HH2 ARG 128 -22.332 5.841 1.389 1029 2HH2 ARG 128 2HH2 ARG 128 -22.216 4.282 2.154 1030 H GLU 129 H GLU 129 -17.790 7.534 -4.586 1031 HA GLU 129 HA GLU 129 -20.310 6.964 -5.822 1032 1HB GLU 129 2HB GLU 129 -17.865 8.399 -6.880 1033 2HB GLU 129 1HB GLU 129 -19.445 8.381 -7.657 1034 1HG GLU 129 2HG GLU 129 -20.426 9.548 -5.777 1035 2HG GLU 129 1HG GLU 129 -18.895 9.486 -4.905 1036 H CYS 130 H CYS 130 -17.055 5.730 -6.106 1037 HA CYS 130 HA CYS 130 -17.610 4.268 -8.545 1038 1HB CYS 130 2HB CYS 130 -15.249 4.130 -6.649 1039 2HB CYS 130 1HB CYS 130 -15.341 3.332 -8.217 1040 HG CYS 130 HG CYS 130 -15.536 6.726 -7.851 1041 H LEU 131 H LEU 131 -17.771 3.770 -5.133 1042 HA LEU 131 HA LEU 131 -17.711 0.912 -5.175 1043 1HB LEU 131 2HB LEU 131 -17.044 2.253 -3.208 1044 2HB LEU 131 1HB LEU 131 -18.699 2.809 -3.034 1045 HG LEU 131 HG LEU 131 -19.421 0.485 -2.578 1046 1HD1 LEU 131 1HD1 LEU 131 -17.698 -0.703 -3.822 1047 2HD1 LEU 131 2HD1 LEU 131 -17.758 -1.252 -2.148 1048 3HD1 LEU 131 3HD1 LEU 131 -16.475 -0.160 -2.672 1049 1HD2 LEU 131 1HD2 LEU 131 -18.876 1.973 -0.719 1050 2HD2 LEU 131 2HD2 LEU 131 -17.189 1.459 -0.790 1051 3HD2 LEU 131 3HD2 LEU 131 -18.446 0.304 -0.343 1052 H LEU 132 H LEU 132 -20.249 3.368 -5.212 1053 HA LEU 132 HA LEU 132 -22.369 1.553 -4.696 1054 1HB LEU 132 2HB LEU 132 -23.871 3.394 -5.399 1055 2HB LEU 132 1HB LEU 132 -22.718 3.844 -4.162 1056 HG LEU 132 HG LEU 132 -21.327 4.817 -6.144 1057 1HD1 LEU 132 1HD1 LEU 132 -22.659 3.874 -7.961 1058 2HD1 LEU 132 2HD1 LEU 132 -22.667 5.635 -8.015 1059 3HD1 LEU 132 3HD1 LEU 132 -24.073 4.766 -7.399 1060 1HD2 LEU 132 1HD2 LEU 132 -22.329 6.157 -4.372 1061 2HD2 LEU 132 2HD2 LEU 132 -23.881 6.132 -5.209 1062 3HD2 LEU 132 3HD2 LEU 132 -22.500 6.957 -5.934 1063 H ALA 133 H ALA 133 -23.671 0.455 -5.978 1064 HA ALA 133 HA ALA 133 -23.893 0.792 -8.808 1065 1HB ALA 133 1HB ALA 133 -23.013 -1.422 -9.444 1066 2HB ALA 133 2HB ALA 133 -22.471 -1.684 -7.787 1067 3HB ALA 133 3HB ALA 133 -21.745 -0.404 -8.759 1068 H GLU 134 H GLU 134 -24.212 -1.418 -6.071 1069 HA GLU 134 HA GLU 134 -26.891 -2.216 -6.826 1070 1HB GLU 134 2HB GLU 134 -25.175 -2.787 -4.385 1071 2HB GLU 134 1HB GLU 134 -26.793 -3.430 -4.614 1072 1HG GLU 134 2HG GLU 134 -25.122 -5.094 -5.165 1073 2HG GLU 134 1HG GLU 134 -26.043 -4.643 -6.597 1074 H ALA 135 H ALA 135 -27.726 -2.183 -3.980 1075 HA ALA 135 HA ALA 135 -28.880 -0.898 -2.513 1076 1HB ALA 135 1HB ALA 135 -26.685 0.120 -2.093 1077 2HB ALA 135 2HB ALA 135 -27.993 1.288 -1.909 1078 3HB ALA 135 3HB ALA 135 -26.994 1.304 -3.363 1079 H GLU 136 H GLU 136 -28.154 1.574 -4.985 1080 HA GLU 136 HA GLU 136 -30.739 2.621 -5.172 1081 1HB GLU 136 2HB GLU 136 -28.585 2.523 -7.305 1082 2HB GLU 136 1HB GLU 136 -29.990 3.579 -7.329 1083 1HG GLU 136 2HG GLU 136 -27.843 3.631 -5.211 1084 2HG GLU 136 1HG GLU 136 -27.901 4.700 -6.611 Start of MODEL 7 1 1H SER 1 1HT SER 1 -12.744 -18.861 -4.272 2 2H SER 1 2HT SER 1 -11.563 -17.769 -4.779 3 3H SER 1 3HT SER 1 -13.183 -17.288 -4.715 4 HA SER 1 HA SER 1 -13.206 -17.538 -2.334 5 1HB SER 1 2HB SER 1 -11.473 -19.322 -2.239 6 2HB SER 1 1HB SER 1 -10.242 -18.124 -2.635 7 HG SER 1 HG SER 1 -11.542 -18.620 -0.253 8 H MET 2 H MET 2 -10.778 -16.127 -4.477 9 HA MET 2 HA MET 2 -10.169 -13.889 -2.842 10 1HB MET 2 2HB MET 2 -9.897 -14.231 -5.839 11 2HB MET 2 1HB MET 2 -9.191 -12.918 -4.905 12 1HG MET 2 2HG MET 2 -8.535 -15.846 -4.632 13 2HG MET 2 1HG MET 2 -7.537 -14.621 -5.412 14 1HE MET 2 1HE MET 2 -5.475 -15.416 -3.895 15 2HE MET 2 2HE MET 2 -6.496 -16.610 -3.092 16 3HE MET 2 3HE MET 2 -5.532 -15.487 -2.135 17 H THR 3 H THR 3 -12.411 -14.380 -5.536 18 HA THR 3 HA THR 3 -14.301 -13.311 -6.182 19 HB THR 3 HB THR 3 -14.216 -11.963 -3.463 20 HG1 THR 3 1HG THR 3 -14.465 -14.525 -4.019 21 1HG2 THR 3 1HG2 THR 3 -16.520 -12.463 -5.362 22 2HG2 THR 3 2HG2 THR 3 -15.788 -10.897 -5.013 23 3HG2 THR 3 3HG2 THR 3 -16.653 -11.768 -3.747 24 H GLU 4 H GLU 4 -13.346 -12.134 -7.850 25 HA GLU 4 HA GLU 4 -12.536 -9.372 -7.191 26 1HB GLU 4 2HB GLU 4 -11.679 -10.823 -9.692 27 2HB GLU 4 1HB GLU 4 -10.980 -9.385 -8.969 28 1HG GLU 4 2HG GLU 4 -9.398 -10.866 -8.326 29 2HG GLU 4 1HG GLU 4 -10.507 -11.102 -6.977 30 H GLU 5 H GLU 5 -13.577 -7.743 -8.142 31 HA GLU 5 HA GLU 5 -14.572 -7.844 -10.793 32 1HB GLU 5 2HB GLU 5 -16.943 -7.465 -10.399 33 2HB GLU 5 1HB GLU 5 -16.473 -9.000 -9.690 34 1HG GLU 5 2HG GLU 5 -16.851 -6.428 -8.160 35 2HG GLU 5 1HG GLU 5 -18.045 -7.715 -8.292 36 H GLN 6 H GLN 6 -14.764 -6.240 -7.656 37 HA GLN 6 HA GLN 6 -13.386 -3.951 -8.531 38 1HB GLN 6 2HB GLN 6 -15.206 -2.264 -8.238 39 2HB GLN 6 1HB GLN 6 -15.419 -3.291 -9.648 40 1HG GLN 6 2HG GLN 6 -17.064 -4.636 -8.407 41 2HG GLN 6 1HG GLN 6 -16.866 -3.570 -7.016 42 1HE2 GLN 6 1HE2 GLN 6 -19.261 -4.134 -8.555 43 2HE2 GLN 6 2HE2 GLN 6 -19.812 -2.617 -9.174 44 HA PRO 7 HA PRO 7 -13.528 -4.883 -4.009 45 1HB PRO 7 2HB PRO 7 -10.889 -5.191 -3.612 46 2HB PRO 7 1HB PRO 7 -11.862 -6.470 -4.350 47 1HG PRO 7 2HG PRO 7 -10.067 -4.457 -5.664 48 2HG PRO 7 1HG PRO 7 -10.232 -6.192 -5.993 49 1HD PRO 7 2HD PRO 7 -11.452 -4.224 -7.480 50 2HD PRO 7 1HD PRO 7 -12.066 -5.884 -7.339 51 H VAL 8 H VAL 8 -13.609 -2.240 -5.300 52 HA VAL 8 HA VAL 8 -11.539 -0.579 -4.324 53 HB VAL 8 HB VAL 8 -12.957 1.311 -4.952 54 1HG1 VAL 8 1HG1 VAL 8 -13.050 -0.922 -6.990 55 2HG1 VAL 8 2HG1 VAL 8 -11.691 0.165 -6.704 56 3HG1 VAL 8 3HG1 VAL 8 -13.209 0.800 -7.336 57 1HG2 VAL 8 1HG2 VAL 8 -15.116 0.490 -4.182 58 2HG2 VAL 8 2HG2 VAL 8 -15.114 -0.753 -5.435 59 3HG2 VAL 8 3HG2 VAL 8 -15.208 0.950 -5.883 60 H ALA 9 H ALA 9 -14.699 -1.503 -3.038 61 HA ALA 9 HA ALA 9 -14.672 0.381 -0.890 62 1HB ALA 9 1HB ALA 9 -16.756 -0.575 -1.759 63 2HB ALA 9 2HB ALA 9 -16.585 -0.866 -0.028 64 3HB ALA 9 3HB ALA 9 -16.270 -2.168 -1.175 65 H SER 10 H SER 10 -12.909 -2.422 -1.428 66 HA SER 10 HA SER 10 -12.757 -3.319 1.310 67 1HB SER 10 2HB SER 10 -11.058 -4.093 -1.077 68 2HB SER 10 1HB SER 10 -11.143 -4.945 0.464 69 HG SER 10 HG SER 10 -12.481 -5.940 -1.056 70 H TRP 11 H TRP 11 -11.305 -0.849 -0.498 71 HA TRP 11 HA TRP 11 -8.686 -0.842 0.555 72 1HB TRP 11 2HB TRP 11 -10.359 1.503 -0.385 73 2HB TRP 11 1HB TRP 11 -8.618 1.532 -0.128 74 HD1 TRP 11 HD TRP 11 -8.381 -1.505 -1.610 75 HE1 TRP 11 1HE TRP 11 -8.330 -1.472 -4.181 76 HE3 TRP 11 3HE TRP 11 -10.377 3.122 -2.390 77 HZ2 TRP 11 2HZ TRP 11 -9.044 0.294 -6.270 78 HZ3 TRP 11 3HZ TRP 11 -10.661 3.921 -4.692 79 HH2 TRP 11 HH TRP 11 -10.007 2.533 -6.601 80 H ALA 12 H ALA 12 -11.734 0.453 1.735 81 HA ALA 12 HA ALA 12 -10.607 1.951 3.894 82 1HB ALA 12 1HB ALA 12 -12.793 2.503 2.921 83 2HB ALA 12 2HB ALA 12 -12.910 2.216 4.656 84 3HB ALA 12 3HB ALA 12 -13.444 0.977 3.518 85 H LEU 13 H LEU 13 -10.826 -1.324 3.414 86 HA LEU 13 HA LEU 13 -11.295 -1.995 6.222 87 1HB LEU 13 2HB LEU 13 -10.837 -3.796 3.833 88 2HB LEU 13 1HB LEU 13 -11.237 -4.335 5.453 89 HG LEU 13 HG LEU 13 -13.027 -2.695 3.645 90 1HD1 LEU 13 1HD1 LEU 13 -14.420 -4.711 3.581 91 2HD1 LEU 13 2HD1 LEU 13 -13.204 -5.579 4.517 92 3HD1 LEU 13 3HD1 LEU 13 -12.821 -4.997 2.897 93 1HD2 LEU 13 1HD2 LEU 13 -14.743 -3.029 5.359 94 2HD2 LEU 13 2HD2 LEU 13 -13.372 -2.122 5.994 95 3HD2 LEU 13 3HD2 LEU 13 -13.561 -3.829 6.395 96 H SER 14 H SER 14 -8.741 -1.962 3.798 97 HA SER 14 HA SER 14 -6.743 -2.217 5.883 98 1HB SER 14 2HB SER 14 -6.805 -4.190 3.585 99 2HB SER 14 1HB SER 14 -5.573 -4.094 4.841 100 HG SER 14 HG SER 14 -7.429 -4.433 6.334 101 H PHE 15 H PHE 15 -4.988 -1.046 5.439 102 HA PHE 15 HA PHE 15 -4.967 0.701 3.210 103 1HB PHE 15 2HB PHE 15 -3.982 1.321 5.383 104 2HB PHE 15 1HB PHE 15 -2.745 0.085 5.182 105 HD1 PHE 15 1HD PHE 15 -4.007 2.365 2.539 106 HD2 PHE 15 2HD PHE 15 -0.809 1.440 5.198 107 HE1 PHE 15 1HE PHE 15 -2.583 4.007 1.394 108 HE2 PHE 15 2HE PHE 15 0.615 3.084 4.053 109 HZ PHE 15 HZ PHE 15 -0.271 4.370 2.149 110 H GLU 16 H GLU 16 -3.096 -2.192 4.032 111 HA GLU 16 HA GLU 16 -1.400 -2.260 1.844 112 1HB GLU 16 2HB GLU 16 -1.182 -3.788 3.757 113 2HB GLU 16 1HB GLU 16 -2.660 -4.615 3.278 114 1HG GLU 16 2HG GLU 16 -1.624 -5.411 1.255 115 2HG GLU 16 1HG GLU 16 -0.177 -4.455 1.571 116 H ARG 17 H ARG 17 -4.773 -3.259 2.120 117 HA ARG 17 HA ARG 17 -5.014 -4.554 -0.367 118 1HB ARG 17 2HB ARG 17 -6.725 -4.763 1.351 119 2HB ARG 17 1HB ARG 17 -7.086 -3.046 1.250 120 1HG ARG 17 2HG ARG 17 -8.762 -4.448 0.117 121 2HG ARG 17 1HG ARG 17 -7.973 -3.314 -0.980 122 1HD ARG 17 2HD ARG 17 -8.240 -5.539 -1.988 123 2HD ARG 17 1HD ARG 17 -6.545 -5.082 -1.830 124 HE ARG 17 HE ARG 17 -7.450 -6.620 0.404 125 1HH1 ARG 17 1HH1 ARG 17 -6.269 -6.839 -2.892 126 2HH1 ARG 17 2HH1 ARG 17 -5.719 -8.478 -2.711 127 1HH2 ARG 17 1HH2 ARG 17 -6.695 -8.769 0.633 128 2HH2 ARG 17 2HH2 ARG 17 -5.957 -9.568 -0.722 129 H LEU 18 H LEU 18 -5.455 -1.173 0.574 130 HA LEU 18 HA LEU 18 -6.111 -0.209 -2.023 131 1HB LEU 18 2HB LEU 18 -6.675 1.126 -0.114 132 2HB LEU 18 1HB LEU 18 -5.015 1.131 0.452 133 HG LEU 18 HG LEU 18 -4.397 2.477 -1.578 134 1HD1 LEU 18 1HD1 LEU 18 -6.178 3.629 -2.795 135 2HD1 LEU 18 2HD1 LEU 18 -7.385 2.673 -1.934 136 3HD1 LEU 18 3HD1 LEU 18 -6.246 1.883 -3.025 137 1HD2 LEU 18 1HD2 LEU 18 -5.276 4.587 -0.715 138 2HD2 LEU 18 2HD2 LEU 18 -4.710 3.538 0.585 139 3HD2 LEU 18 3HD2 LEU 18 -6.441 3.703 0.276 140 H LEU 19 H LEU 19 -3.094 -0.678 -0.291 141 HA LEU 19 HA LEU 19 -1.627 1.023 -2.133 142 1HB LEU 19 2HB LEU 19 -1.370 1.107 0.345 143 2HB LEU 19 1HB LEU 19 -0.655 -0.489 0.290 144 HG LEU 19 HG LEU 19 1.215 0.359 -1.020 145 1HD1 LEU 19 1HD1 LEU 19 -0.180 3.031 -0.804 146 2HD1 LEU 19 2HD1 LEU 19 0.111 2.107 -2.280 147 3HD1 LEU 19 3HD1 LEU 19 1.468 2.793 -1.389 148 1HD2 LEU 19 1HD2 LEU 19 2.252 1.771 0.689 149 2HD2 LEU 19 2HD2 LEU 19 1.392 0.409 1.405 150 3HD2 LEU 19 3HD2 LEU 19 0.675 2.019 1.441 151 H GLN 20 H GLN 20 -2.158 -2.350 -1.678 152 HA GLN 20 HA GLN 20 0.344 -3.055 -3.039 153 1HB GLN 20 2HB GLN 20 -0.383 -4.186 -0.895 154 2HB GLN 20 1HB GLN 20 -1.673 -4.944 -1.816 155 1HG GLN 20 2HG GLN 20 -0.115 -6.158 -3.149 156 2HG GLN 20 1HG GLN 20 1.245 -5.238 -2.503 157 1HE2 GLN 20 1HE2 GLN 20 1.909 -5.607 -0.368 158 2HE2 GLN 20 2HE2 GLN 20 1.516 -7.068 0.467 159 H ASP 21 H ASP 21 -3.087 -2.931 -3.583 160 HA ASP 21 HA ASP 21 -2.966 -4.565 -5.973 161 1HB ASP 21 2HB ASP 21 -5.155 -3.085 -4.547 162 2HB ASP 21 1HB ASP 21 -5.390 -3.549 -6.231 163 HA PRO 22 HA PRO 22 -1.576 -1.423 -8.717 164 1HB PRO 22 2HB PRO 22 -2.800 -2.314 -11.034 165 2HB PRO 22 1HB PRO 22 -1.300 -2.974 -10.373 166 1HG PRO 22 2HG PRO 22 -4.105 -4.004 -10.104 167 2HG PRO 22 1HG PRO 22 -2.602 -4.903 -10.397 168 1HD PRO 22 2HD PRO 22 -3.719 -4.821 -7.963 169 2HD PRO 22 1HD PRO 22 -1.953 -4.793 -8.164 170 H LEU 23 H LEU 23 -5.009 -2.302 -8.961 171 HA LEU 23 HA LEU 23 -5.907 0.066 -10.199 172 1HB LEU 23 2HB LEU 23 -7.096 -2.201 -9.902 173 2HB LEU 23 1HB LEU 23 -7.542 -1.634 -8.308 174 HG LEU 23 HG LEU 23 -8.296 -0.155 -10.837 175 1HD1 LEU 23 1HD1 LEU 23 -9.902 -2.223 -9.331 176 2HD1 LEU 23 2HD1 LEU 23 -9.242 -2.392 -10.959 177 3HD1 LEU 23 3HD1 LEU 23 -10.506 -1.205 -10.640 178 1HD2 LEU 23 1HD2 LEU 23 -8.404 1.181 -8.798 179 2HD2 LEU 23 2HD2 LEU 23 -9.404 -0.049 -8.027 180 3HD2 LEU 23 3HD2 LEU 23 -10.021 0.850 -9.414 181 H GLY 24 H GLY 24 -5.656 -0.912 -6.807 182 1HA GLY 24 2HA GLY 24 -6.782 1.380 -5.634 183 2HA GLY 24 1HA GLY 24 -5.633 0.296 -4.858 184 H LEU 25 H LEU 25 -3.353 0.550 -6.101 185 HA LEU 25 HA LEU 25 -2.251 2.965 -5.298 186 1HB LEU 25 2HB LEU 25 -1.359 0.648 -6.871 187 2HB LEU 25 1HB LEU 25 -0.526 2.136 -7.283 188 HG LEU 25 HG LEU 25 -0.690 0.935 -4.512 189 1HD1 LEU 25 1HD1 LEU 25 1.693 0.479 -4.799 190 2HD1 LEU 25 2HD1 LEU 25 1.614 1.073 -6.458 191 3HD1 LEU 25 3HD1 LEU 25 0.727 -0.381 -5.998 192 1HD2 LEU 25 1HD2 LEU 25 0.965 2.660 -3.924 193 2HD2 LEU 25 2HD2 LEU 25 -0.569 3.365 -4.429 194 3HD2 LEU 25 3HD2 LEU 25 0.804 3.355 -5.538 195 H ALA 26 H ALA 26 -3.661 2.073 -8.386 196 HA ALA 26 HA ALA 26 -2.654 4.117 -9.982 197 1HB ALA 26 1HB ALA 26 -3.909 2.217 -10.885 198 2HB ALA 26 2HB ALA 26 -4.590 3.748 -11.434 199 3HB ALA 26 3HB ALA 26 -5.387 2.838 -10.150 200 H TYR 27 H TYR 27 -5.888 4.083 -8.459 201 HA TYR 27 HA TYR 27 -6.315 6.861 -8.941 202 1HB TYR 27 2HB TYR 27 -7.716 4.893 -7.119 203 2HB TYR 27 1HB TYR 27 -8.254 6.555 -7.345 204 HD1 TYR 27 1HD TYR 27 -7.819 3.287 -9.018 205 HD2 TYR 27 2HD TYR 27 -9.423 7.216 -9.317 206 HE1 TYR 27 1HE TYR 27 -9.107 2.606 -10.997 207 HE2 TYR 27 2HE TYR 27 -10.722 6.553 -11.284 208 HH TYR 27 HH TYR 27 -10.597 4.808 -13.073 209 H PHE 28 H PHE 28 -5.047 5.026 -6.242 210 HA PHE 28 HA PHE 28 -5.249 7.009 -4.266 211 1HB PHE 28 2HB PHE 28 -4.821 4.614 -3.794 212 2HB PHE 28 1HB PHE 28 -3.210 4.776 -4.473 213 HD1 PHE 28 1HD PHE 28 -1.892 4.243 -2.610 214 HD2 PHE 28 2HD PHE 28 -4.933 7.206 -2.255 215 HE1 PHE 28 1HE PHE 28 -1.039 4.850 -0.387 216 HE2 PHE 28 2HE PHE 28 -4.080 7.817 -0.031 217 HZ PHE 28 HZ PHE 28 -2.133 6.637 0.904 218 H THR 29 H THR 29 -2.590 6.219 -6.521 219 HA THR 29 HA THR 29 -0.868 8.223 -5.431 220 HB THR 29 HB THR 29 -0.014 6.212 -6.686 221 HG1 THR 29 1HG THR 29 0.757 8.850 -7.425 222 1HG2 THR 29 1HG2 THR 29 -0.905 7.786 -9.116 223 2HG2 THR 29 2HG2 THR 29 -1.579 6.247 -8.580 224 3HG2 THR 29 3HG2 THR 29 0.091 6.329 -9.138 225 H GLU 30 H GLU 30 -3.284 8.142 -7.976 226 HA GLU 30 HA GLU 30 -2.605 10.564 -9.255 227 1HB GLU 30 2HB GLU 30 -5.263 9.145 -8.977 228 2HB GLU 30 1HB GLU 30 -5.022 10.560 -9.990 229 1HG GLU 30 2HG GLU 30 -3.324 9.318 -11.278 230 2HG GLU 30 1HG GLU 30 -3.652 7.895 -10.293 231 H PHE 31 H PHE 31 -5.057 9.906 -6.751 232 HA PHE 31 HA PHE 31 -5.748 12.626 -6.370 233 1HB PHE 31 2HB PHE 31 -7.170 10.652 -5.735 234 2HB PHE 31 1HB PHE 31 -6.074 10.353 -4.391 235 HD1 PHE 31 1HD PHE 31 -6.158 11.704 -2.397 236 HD2 PHE 31 2HD PHE 31 -8.586 12.663 -5.765 237 HE1 PHE 31 1HE PHE 31 -7.449 13.282 -1.018 238 HE2 PHE 31 2HE PHE 31 -9.878 14.235 -4.391 239 HZ PHE 31 HZ PHE 31 -9.310 14.552 -2.013 240 H LEU 32 H LEU 32 -3.324 10.537 -4.937 241 HA LEU 32 HA LEU 32 -2.704 12.325 -2.779 242 1HB LEU 32 2HB LEU 32 -2.413 9.798 -2.824 243 2HB LEU 32 1HB LEU 32 -1.000 10.063 -3.823 244 HG LEU 32 HG LEU 32 0.154 11.178 -2.022 245 1HD1 LEU 32 1HD1 LEU 32 -0.838 11.539 0.162 246 2HD1 LEU 32 2HD1 LEU 32 -2.386 10.916 -0.418 247 3HD1 LEU 32 3HD1 LEU 32 -1.730 12.414 -1.081 248 1HD2 LEU 32 1HD2 LEU 32 -1.241 8.698 -1.013 249 2HD2 LEU 32 2HD2 LEU 32 0.253 9.379 -0.367 250 3HD2 LEU 32 3HD2 LEU 32 0.214 8.742 -2.011 251 H LYS 33 H LYS 33 -1.597 11.886 -6.072 252 HA LYS 33 HA LYS 33 0.619 13.715 -5.815 253 1HB LYS 33 2HB LYS 33 -0.757 12.413 -8.150 254 2HB LYS 33 1HB LYS 33 0.322 13.771 -8.427 255 1HG LYS 33 2HG LYS 33 1.112 11.221 -7.020 256 2HG LYS 33 1HG LYS 33 1.394 11.560 -8.727 257 1HD LYS 33 2HD LYS 33 2.747 13.541 -8.071 258 2HD LYS 33 1HD LYS 33 2.521 13.104 -6.376 259 1HE LYS 33 2HE LYS 33 3.656 10.966 -6.775 260 2HE LYS 33 1HE LYS 33 3.867 11.389 -8.474 261 1HZ LYS 33 1HZ LYS 33 5.073 12.786 -6.146 262 2HZ LYS 33 2HZ LYS 33 5.219 13.290 -7.752 263 3HZ LYS 33 3HZ LYS 33 5.882 11.814 -7.272 264 H LYS 34 H LYS 34 -2.790 13.923 -6.491 265 HA LYS 34 HA LYS 34 -3.021 16.463 -7.601 266 1HB LYS 34 2HB LYS 34 -4.895 14.860 -7.264 267 2HB LYS 34 1HB LYS 34 -4.837 15.179 -5.540 268 1HG LYS 34 2HG LYS 34 -6.606 16.490 -6.198 269 2HG LYS 34 1HG LYS 34 -5.282 17.652 -6.240 270 1HD LYS 34 2HD LYS 34 -6.102 16.117 -8.700 271 2HD LYS 34 1HD LYS 34 -6.935 17.594 -8.223 272 1HE LYS 34 2HE LYS 34 -3.970 17.378 -8.744 273 2HE LYS 34 1HE LYS 34 -5.156 17.968 -9.905 274 1HZ LYS 34 1HZ LYS 34 -5.712 19.752 -8.374 275 2HZ LYS 34 2HZ LYS 34 -4.067 19.787 -8.766 276 3HZ LYS 34 3HZ LYS 34 -4.566 19.190 -7.264 277 H GLU 35 H GLU 35 -2.685 15.488 -4.229 278 HA GLU 35 HA GLU 35 -2.622 18.228 -3.260 279 1HB GLU 35 2HB GLU 35 -2.014 15.673 -1.747 280 2HB GLU 35 1HB GLU 35 -2.433 17.236 -1.062 281 1HG GLU 35 2HG GLU 35 -4.267 15.495 -2.707 282 2HG GLU 35 1HG GLU 35 -4.285 15.637 -0.950 283 H PHE 36 H PHE 36 -0.478 16.258 -4.777 284 HA PHE 36 HA PHE 36 1.739 15.861 -4.864 285 1HB PHE 36 2HB PHE 36 1.658 18.389 -5.285 286 2HB PHE 36 1HB PHE 36 2.158 18.584 -3.609 287 HD1 PHE 36 1HD PHE 36 4.372 17.501 -2.885 288 HD2 PHE 36 2HD PHE 36 3.242 17.971 -6.967 289 HE1 PHE 36 1HE PHE 36 6.719 17.209 -3.563 290 HE2 PHE 36 2HE PHE 36 5.588 17.688 -7.648 291 HZ PHE 36 HZ PHE 36 7.328 17.305 -5.947 292 H SER 37 H SER 37 1.138 14.308 -3.151 293 HA SER 37 HA SER 37 3.066 14.521 -1.000 294 1HB SER 37 2HB SER 37 1.281 13.812 0.692 295 2HB SER 37 1HB SER 37 1.217 15.489 0.152 296 HG SER 37 HG SER 37 -0.315 14.505 -1.517 297 H ALA 38 H ALA 38 2.223 12.904 -3.484 298 HA ALA 38 HA ALA 38 1.725 10.252 -2.444 299 1HB ALA 38 1HB ALA 38 1.788 9.534 -4.769 300 2HB ALA 38 2HB ALA 38 2.376 11.121 -5.261 301 3HB ALA 38 3HB ALA 38 0.755 10.952 -4.589 302 H GLU 39 H GLU 39 4.313 12.091 -2.325 303 HA GLU 39 HA GLU 39 6.439 10.663 -3.443 304 1HB GLU 39 2HB GLU 39 6.683 12.140 -0.822 305 2HB GLU 39 1HB GLU 39 7.852 12.019 -2.127 306 1HG GLU 39 2HG GLU 39 5.342 13.677 -2.034 307 2HG GLU 39 1HG GLU 39 7.008 14.236 -2.148 308 H ASN 40 H ASN 40 4.588 10.230 -0.566 309 HA ASN 40 HA ASN 40 6.229 8.416 0.827 310 1HB ASN 40 2HB ASN 40 4.016 7.779 1.957 311 2HB ASN 40 1HB ASN 40 4.516 9.461 2.075 312 1HD2 ASN 40 1HD2 ASN 40 2.418 10.200 2.421 313 2HD2 ASN 40 2HD2 ASN 40 1.236 10.235 1.170 314 H VAL 41 H VAL 41 3.590 7.884 -1.514 315 HA VAL 41 HA VAL 41 3.855 5.020 -1.325 316 HB VAL 41 HB VAL 41 2.187 4.860 -3.083 317 1HG1 VAL 41 1HG1 VAL 41 1.393 5.212 -0.820 318 2HG1 VAL 41 2HG1 VAL 41 0.324 6.014 -1.971 319 3HG1 VAL 41 3HG1 VAL 41 1.480 6.961 -1.034 320 1HG2 VAL 41 1HG2 VAL 41 2.353 7.871 -3.302 321 2HG2 VAL 41 2HG2 VAL 41 1.194 6.836 -4.134 322 3HG2 VAL 41 3HG2 VAL 41 2.911 6.714 -4.511 323 H THR 42 H THR 42 4.995 7.571 -3.453 324 HA THR 42 HA THR 42 6.046 5.989 -5.512 325 HB THR 42 HB THR 42 7.222 8.562 -4.402 326 HG1 THR 42 1HG THR 42 5.032 8.030 -6.114 327 1HG2 THR 42 1HG2 THR 42 8.721 7.407 -5.966 328 2HG2 THR 42 2HG2 THR 42 8.078 8.885 -6.684 329 3HG2 THR 42 3HG2 THR 42 7.423 7.317 -7.156 330 H PHE 43 H PHE 43 7.370 6.982 -2.387 331 HA PHE 43 HA PHE 43 9.879 5.711 -2.596 332 1HB PHE 43 2HB PHE 43 9.430 7.402 -0.895 333 2HB PHE 43 1HB PHE 43 8.197 6.383 -0.164 334 HD1 PHE 43 1HD PHE 43 11.822 6.801 -0.696 335 HD2 PHE 43 2HD PHE 43 8.783 4.617 1.346 336 HE1 PHE 43 1HE PHE 43 13.521 5.821 0.785 337 HE2 PHE 43 2HE PHE 43 10.483 3.635 2.828 338 HZ PHE 43 HZ PHE 43 12.853 4.237 2.548 339 H TRP 44 H TRP 44 6.804 4.647 -1.157 340 HA TRP 44 HA TRP 44 7.631 2.155 -0.206 341 1HB TRP 44 2HB TRP 44 5.460 3.297 0.330 342 2HB TRP 44 1HB TRP 44 4.876 2.856 -1.268 343 HD1 TRP 44 HD TRP 44 5.688 1.336 2.151 344 HE1 TRP 44 1HE TRP 44 4.605 -0.998 2.308 345 HE3 TRP 44 3HE TRP 44 4.061 0.875 -2.674 346 HZ2 TRP 44 2HZ TRP 44 3.237 -2.787 0.611 347 HZ3 TRP 44 3HZ TRP 44 2.864 -1.176 -3.321 348 HH2 TRP 44 HH TRP 44 2.466 -2.969 -1.713 349 H LYS 45 H LYS 45 6.218 3.033 -3.332 350 HA LYS 45 HA LYS 45 6.112 0.452 -4.443 351 1HB LYS 45 2HB LYS 45 6.320 3.168 -5.767 352 2HB LYS 45 1HB LYS 45 6.025 1.673 -6.646 353 1HG LYS 45 2HG LYS 45 3.926 1.356 -5.547 354 2HG LYS 45 1HG LYS 45 4.242 2.695 -4.446 355 1HD LYS 45 2HD LYS 45 2.695 3.451 -6.116 356 2HD LYS 45 1HD LYS 45 4.244 4.235 -6.410 357 1HE LYS 45 2HE LYS 45 3.366 1.745 -7.871 358 2HE LYS 45 1HE LYS 45 3.003 3.369 -8.448 359 1HZ LYS 45 1HZ LYS 45 5.691 2.165 -8.079 360 2HZ LYS 45 2HZ LYS 45 5.431 3.795 -8.443 361 3HZ LYS 45 3HZ LYS 45 4.954 2.601 -9.535 362 H ALA 46 H ALA 46 8.564 3.011 -4.699 363 HA ALA 46 HA ALA 46 10.331 1.648 -6.401 364 1HB ALA 46 1HB ALA 46 12.015 3.255 -5.654 365 2HB ALA 46 2HB ALA 46 10.981 3.727 -4.305 366 3HB ALA 46 3HB ALA 46 10.473 4.056 -5.961 367 H CYS 47 H CYS 47 10.055 1.724 -2.882 368 HA CYS 47 HA CYS 47 12.361 0.186 -2.326 369 1HB CYS 47 2HB CYS 47 11.233 1.595 -0.636 370 2HB CYS 47 1HB CYS 47 9.847 0.510 -0.663 371 HG CYS 47 HG CYS 47 11.104 -1.622 0.494 372 H GLU 48 H GLU 48 8.968 -0.669 -2.881 373 HA GLU 48 HA GLU 48 9.232 -3.425 -2.304 374 1HB GLU 48 2HB GLU 48 7.055 -2.272 -2.413 375 2HB GLU 48 1HB GLU 48 7.260 -2.035 -4.140 376 1HG GLU 48 2HG GLU 48 5.751 -3.875 -3.708 377 2HG GLU 48 1HG GLU 48 7.222 -4.461 -4.482 378 H ARG 49 H ARG 49 9.794 -1.506 -5.192 379 HA ARG 49 HA ARG 49 10.332 -3.779 -6.880 380 1HB ARG 49 2HB ARG 49 10.851 -0.822 -7.241 381 2HB ARG 49 1HB ARG 49 11.246 -2.030 -8.457 382 1HG ARG 49 2HG ARG 49 8.850 -2.670 -8.536 383 2HG ARG 49 1HG ARG 49 8.499 -1.354 -7.411 384 1HD ARG 49 2HD ARG 49 9.795 -1.021 -10.121 385 2HD ARG 49 1HD ARG 49 8.088 -0.746 -9.777 386 HE ARG 49 HE ARG 49 8.652 1.178 -8.552 387 1HH1 ARG 49 1HH1 ARG 49 11.479 -0.347 -9.966 388 2HH1 ARG 49 2HH1 ARG 49 12.501 1.037 -9.732 389 1HH2 ARG 49 1HH2 ARG 49 9.971 3.015 -8.310 390 2HH2 ARG 49 2HH2 ARG 49 11.629 2.963 -8.823 391 H PHE 50 H PHE 50 11.973 -2.397 -4.375 392 HA PHE 50 HA PHE 50 14.646 -2.976 -5.414 393 1HB PHE 50 2HB PHE 50 14.366 -0.885 -4.190 394 2HB PHE 50 1HB PHE 50 13.689 -1.742 -2.814 395 HD1 PHE 50 1HD PHE 50 16.799 -1.755 -4.898 396 HD2 PHE 50 2HD PHE 50 15.075 -2.100 -1.016 397 HE1 PHE 50 1HE PHE 50 19.045 -1.907 -3.910 398 HE2 PHE 50 2HE PHE 50 17.322 -2.257 -0.029 399 HZ PHE 50 HZ PHE 50 19.312 -2.160 -1.476 400 H GLN 51 H GLN 51 12.422 -3.943 -2.834 401 HA GLN 51 HA GLN 51 14.156 -6.058 -1.910 402 1HB GLN 51 2HB GLN 51 12.218 -6.589 -0.395 403 2HB GLN 51 1HB GLN 51 12.856 -4.957 -0.245 404 1HG GLN 51 2HG GLN 51 11.003 -4.248 -1.833 405 2HG GLN 51 1HG GLN 51 10.304 -5.840 -1.556 406 1HE2 GLN 51 1HE2 GLN 51 9.354 -6.289 0.420 407 2HE2 GLN 51 2HE2 GLN 51 9.036 -5.063 1.598 408 H GLN 52 H GLN 52 12.042 -5.775 -4.485 409 HA GLN 52 HA GLN 52 11.169 -8.524 -4.545 410 1HB GLN 52 2HB GLN 52 10.227 -8.031 -6.694 411 2HB GLN 52 1HB GLN 52 9.922 -6.656 -5.648 412 1HG GLN 52 2HG GLN 52 10.565 -5.530 -7.503 413 2HG GLN 52 1HG GLN 52 12.151 -5.759 -6.777 414 1HE2 GLN 52 1HE2 GLN 52 9.980 -6.755 -9.304 415 2HE2 GLN 52 2HE2 GLN 52 11.150 -7.574 -10.273 416 H ILE 53 H ILE 53 13.986 -6.806 -5.300 417 HA ILE 53 HA ILE 53 15.073 -8.522 -7.305 418 HB ILE 53 HB ILE 53 16.579 -6.752 -5.354 419 1HG1 ILE 53 2HG1 ILE 53 15.551 -6.039 -8.121 420 2HG1 ILE 53 1HG1 ILE 53 14.807 -5.513 -6.615 421 1HG2 ILE 53 1HG2 ILE 53 18.001 -8.352 -6.522 422 2HG2 ILE 53 2HG2 ILE 53 18.316 -6.713 -7.094 423 3HG2 ILE 53 3HG2 ILE 53 17.354 -7.821 -8.074 424 1HD1 ILE 53 1HD1 ILE 53 16.839 -4.288 -6.038 425 2HD1 ILE 53 2HD1 ILE 53 16.179 -3.754 -7.584 426 3HD1 ILE 53 3HD1 ILE 53 17.589 -4.817 -7.545 427 HA PRO 54 HA PRO 54 15.727 -11.914 -4.458 428 1HB PRO 54 2HB PRO 54 17.288 -13.156 -6.630 429 2HB PRO 54 1HB PRO 54 15.780 -13.692 -5.883 430 1HG PRO 54 2HG PRO 54 15.841 -12.720 -8.387 431 2HG PRO 54 1HG PRO 54 14.468 -12.421 -7.304 432 1HD PRO 54 2HD PRO 54 16.763 -10.608 -7.996 433 2HD PRO 54 1HD PRO 54 15.028 -10.232 -7.881 434 H ALA 55 H ALA 55 17.875 -9.661 -4.936 435 HA ALA 55 HA ALA 55 19.824 -9.116 -3.929 436 1HB ALA 55 1HB ALA 55 19.946 -11.963 -2.922 437 2HB ALA 55 2HB ALA 55 19.172 -10.617 -2.089 438 3HB ALA 55 3HB ALA 55 20.915 -10.602 -2.353 439 H SER 56 H SER 56 19.585 -11.836 -6.032 440 HA SER 56 HA SER 56 22.233 -12.518 -6.469 441 1HB SER 56 2HB SER 56 21.327 -13.226 -8.777 442 2HB SER 56 1HB SER 56 20.574 -13.949 -7.354 443 HG SER 56 HG SER 56 19.438 -12.486 -9.278 444 H ASP 57 H ASP 57 20.248 -10.319 -8.492 445 HA ASP 57 HA ASP 57 22.616 -9.343 -9.828 446 1HB ASP 57 2HB ASP 57 20.279 -9.610 -10.876 447 2HB ASP 57 1HB ASP 57 19.856 -8.126 -10.027 448 H THR 58 H THR 58 23.800 -8.514 -8.100 449 HA THR 58 HA THR 58 22.741 -6.731 -6.172 450 HB THR 58 HB THR 58 25.639 -7.232 -6.894 451 HG1 THR 58 1HG THR 58 23.811 -8.861 -5.851 452 1HG2 THR 58 1HG2 THR 58 24.397 -6.141 -4.356 453 2HG2 THR 58 2HG2 THR 58 25.351 -5.217 -5.518 454 3HG2 THR 58 3HG2 THR 58 26.105 -6.512 -4.587 455 H GLN 59 H GLN 59 24.239 -6.250 -9.297 456 HA GLN 59 HA GLN 59 24.974 -3.554 -9.041 457 1HB GLN 59 2HB GLN 59 24.913 -3.447 -11.479 458 2HB GLN 59 1HB GLN 59 25.651 -4.955 -10.957 459 1HG GLN 59 2HG GLN 59 23.543 -6.127 -11.384 460 2HG GLN 59 1HG GLN 59 22.816 -4.615 -11.921 461 1HE2 GLN 59 1HE2 GLN 59 23.126 -7.084 -13.366 462 2HE2 GLN 59 2HE2 GLN 59 24.076 -6.728 -14.770 463 H GLN 60 H GLN 60 21.868 -5.059 -9.862 464 HA GLN 60 HA GLN 60 20.514 -2.623 -10.434 465 1HB GLN 60 2HB GLN 60 19.767 -4.923 -11.151 466 2HB GLN 60 1HB GLN 60 19.285 -5.222 -9.488 467 1HG GLN 60 2HG GLN 60 17.627 -3.492 -9.587 468 2HG GLN 60 1HG GLN 60 18.190 -2.976 -11.175 469 1HE2 GLN 60 1HE2 GLN 60 16.442 -5.403 -9.408 470 2HE2 GLN 60 2HE2 GLN 60 15.703 -6.155 -10.772 471 H LEU 61 H LEU 61 21.074 -4.501 -7.519 472 HA LEU 61 HA LEU 61 19.358 -3.175 -5.755 473 1HB LEU 61 2HB LEU 61 22.092 -4.373 -5.277 474 2HB LEU 61 1HB LEU 61 21.065 -3.775 -3.989 475 HG LEU 61 HG LEU 61 20.339 -6.040 -5.861 476 1HD1 LEU 61 1HD1 LEU 61 20.707 -7.491 -3.919 477 2HD1 LEU 61 2HD1 LEU 61 21.286 -6.106 -2.994 478 3HD1 LEU 61 3HD1 LEU 61 22.187 -6.664 -4.403 479 1HD2 LEU 61 1HD2 LEU 61 18.981 -5.000 -3.368 480 2HD2 LEU 61 2HD2 LEU 61 18.504 -6.433 -4.280 481 3HD2 LEU 61 3HD2 LEU 61 18.387 -4.838 -5.022 482 H ALA 62 H ALA 62 22.727 -2.449 -6.627 483 HA ALA 62 HA ALA 62 23.009 -0.133 -5.064 484 1HB ALA 62 1HB ALA 62 24.398 -0.827 -7.657 485 2HB ALA 62 2HB ALA 62 24.909 -1.328 -6.045 486 3HB ALA 62 3HB ALA 62 24.932 0.381 -6.486 487 H GLN 63 H GLN 63 21.953 -0.571 -8.417 488 HA GLN 63 HA GLN 63 21.742 2.128 -9.134 489 1HB GLN 63 2HB GLN 63 20.275 -0.319 -10.134 490 2HB GLN 63 1HB GLN 63 20.071 1.272 -10.853 491 1HG GLN 63 2HG GLN 63 22.678 -0.232 -10.659 492 2HG GLN 63 1HG GLN 63 21.659 -0.132 -12.094 493 1HE2 GLN 63 1HE2 GLN 63 20.968 2.675 -11.611 494 2HE2 GLN 63 2HE2 GLN 63 22.377 3.586 -12.029 495 H GLU 64 H GLU 64 19.186 -0.077 -7.963 496 HA GLU 64 HA GLU 64 17.177 1.925 -7.978 497 1HB GLU 64 2HB GLU 64 16.799 -0.593 -8.043 498 2HB GLU 64 1HB GLU 64 17.146 -0.607 -6.321 499 1HG GLU 64 2HG GLU 64 14.740 -0.600 -6.776 500 2HG GLU 64 1HG GLU 64 15.247 0.833 -5.882 501 H ALA 65 H ALA 65 19.372 0.684 -5.519 502 HA ALA 65 HA ALA 65 18.270 1.959 -3.278 503 1HB ALA 65 1HB ALA 65 19.962 0.187 -3.107 504 2HB ALA 65 2HB ALA 65 20.435 1.628 -2.205 505 3HB ALA 65 3HB ALA 65 21.175 1.284 -3.770 506 H ARG 66 H ARG 66 20.835 3.047 -5.515 507 HA ARG 66 HA ARG 66 21.237 5.510 -4.140 508 1HB ARG 66 2HB ARG 66 22.737 6.106 -5.885 509 2HB ARG 66 1HB ARG 66 22.934 4.384 -5.623 510 1HG ARG 66 2HG ARG 66 22.896 4.351 -7.882 511 2HG ARG 66 1HG ARG 66 21.152 4.299 -7.624 512 1HD ARG 66 2HD ARG 66 20.970 6.671 -7.986 513 2HD ARG 66 1HD ARG 66 22.723 6.846 -8.030 514 HE ARG 66 HE ARG 66 21.000 5.959 -10.167 515 1HH1 ARG 66 1HH1 ARG 66 24.277 5.893 -8.914 516 2HH1 ARG 66 2HH1 ARG 66 24.997 5.687 -10.481 517 1HH2 ARG 66 1HH2 ARG 66 21.960 5.698 -12.220 518 2HH2 ARG 66 2HH2 ARG 66 23.693 5.606 -12.354 519 H ASN 67 H ASN 67 19.166 4.472 -6.753 520 HA ASN 67 HA ASN 67 18.225 6.967 -7.621 521 1HB ASN 67 2HB ASN 67 17.635 5.057 -8.919 522 2HB ASN 67 1HB ASN 67 16.934 4.235 -7.531 523 1HD2 ASN 67 1HD2 ASN 67 14.830 4.572 -7.032 524 2HD2 ASN 67 2HD2 ASN 67 13.773 5.608 -7.926 525 H ILE 68 H ILE 68 16.699 4.735 -5.297 526 HA ILE 68 HA ILE 68 14.726 6.494 -4.372 527 HB ILE 68 HB ILE 68 16.062 4.236 -2.850 528 1HG1 ILE 68 2HG1 ILE 68 13.569 4.201 -4.578 529 2HG1 ILE 68 1HG1 ILE 68 15.133 3.545 -5.047 530 1HG2 ILE 68 1HG2 ILE 68 14.782 5.700 -1.376 531 2HG2 ILE 68 2HG2 ILE 68 13.980 4.140 -1.553 532 3HG2 ILE 68 3HG2 ILE 68 13.372 5.548 -2.425 533 1HD1 ILE 68 1HD1 ILE 68 14.996 1.899 -3.269 534 2HD1 ILE 68 2HD1 ILE 68 13.586 1.808 -4.322 535 3HD1 ILE 68 3HD1 ILE 68 13.454 2.577 -2.742 536 H TYR 69 H TYR 69 18.018 5.909 -3.268 537 HA TYR 69 HA TYR 69 17.987 7.351 -0.884 538 1HB TYR 69 2HB TYR 69 19.813 5.836 -1.502 539 2HB TYR 69 1HB TYR 69 20.278 6.906 -2.817 540 HD1 TYR 69 1HD TYR 69 20.147 6.574 0.867 541 HD2 TYR 69 2HD TYR 69 21.675 8.810 -2.421 542 HE1 TYR 69 1HE TYR 69 21.673 7.754 2.388 543 HE2 TYR 69 2HE TYR 69 23.202 9.999 -0.908 544 HH TYR 69 HH TYR 69 23.804 8.978 2.279 545 H GLN 70 H GLN 70 19.143 8.429 -4.078 546 HA GLN 70 HA GLN 70 19.779 11.036 -3.190 547 1HB GLN 70 2HB GLN 70 19.436 9.857 -5.944 548 2HB GLN 70 1HB GLN 70 19.959 11.515 -5.671 549 1HG GLN 70 2HG GLN 70 21.961 10.827 -4.630 550 2HG GLN 70 1HG GLN 70 21.393 9.170 -4.450 551 1HE2 GLN 70 1HE2 GLN 70 20.972 11.015 -7.399 552 2HE2 GLN 70 2HE2 GLN 70 22.089 10.098 -8.349 553 H GLU 71 H GLU 71 16.765 9.659 -4.092 554 HA GLU 71 HA GLU 71 15.639 12.235 -4.865 555 1HB GLU 71 2HB GLU 71 14.347 9.500 -4.742 556 2HB GLU 71 1HB GLU 71 13.583 10.955 -5.366 557 1HG GLU 71 2HG GLU 71 16.031 9.625 -6.515 558 2HG GLU 71 1HG GLU 71 14.393 9.497 -7.151 559 H PHE 72 H PHE 72 15.294 9.849 -2.250 560 HA PHE 72 HA PHE 72 13.452 11.728 -0.887 561 1HB PHE 72 2HB PHE 72 13.554 8.713 -0.588 562 2HB PHE 72 1HB PHE 72 12.400 9.796 0.179 563 HD1 PHE 72 1HD PHE 72 13.258 7.968 -2.828 564 HD2 PHE 72 2HD PHE 72 10.673 10.936 -1.199 565 HE1 PHE 72 1HE PHE 72 11.742 7.697 -4.746 566 HE2 PHE 72 2HE PHE 72 9.155 10.669 -3.113 567 HZ PHE 72 HZ PHE 72 9.689 9.048 -4.890 568 H LEU 73 H LEU 73 16.388 9.910 -0.593 569 HA LEU 73 HA LEU 73 16.313 10.115 2.348 570 1HB LEU 73 2HB LEU 73 17.936 8.208 0.666 571 2HB LEU 73 1HB LEU 73 17.727 8.164 2.408 572 HG LEU 73 HG LEU 73 15.493 7.737 0.411 573 1HD1 LEU 73 1HD1 LEU 73 17.121 5.924 0.282 574 2HD1 LEU 73 2HD1 LEU 73 15.611 5.379 1.008 575 3HD1 LEU 73 3HD1 LEU 73 17.015 5.695 2.027 576 1HD2 LEU 73 1HD2 LEU 73 15.588 7.341 3.403 577 2HD2 LEU 73 2HD2 LEU 73 14.229 6.944 2.351 578 3HD2 LEU 73 3HD2 LEU 73 14.726 8.622 2.550 579 H SER 74 H SER 74 17.841 11.526 -0.298 580 HA SER 74 HA SER 74 20.501 11.670 0.754 581 1HB SER 74 2HB SER 74 20.817 13.435 -1.018 582 2HB SER 74 1HB SER 74 20.220 11.892 -1.624 583 HG SER 74 HG SER 74 18.801 13.193 -2.528 584 H SER 75 H SER 75 19.895 12.306 2.934 585 HA SER 75 HA SER 75 19.579 13.751 4.649 586 1HB SER 75 2HB SER 75 21.022 15.612 2.745 587 2HB SER 75 1HB SER 75 20.840 15.876 4.481 588 HG SER 75 HG SER 75 22.051 13.569 3.352 589 H GLN 76 H GLN 76 19.345 16.374 2.305 590 HA GLN 76 HA GLN 76 16.579 16.861 3.216 591 1HB GLN 76 2HB GLN 76 18.637 18.883 2.269 592 2HB GLN 76 1HB GLN 76 16.996 19.253 2.784 593 1HG GLN 76 2HG GLN 76 19.215 18.154 4.506 594 2HG GLN 76 1HG GLN 76 18.570 19.794 4.537 595 1HE2 GLN 76 1HE2 GLN 76 16.510 20.149 5.440 596 2HE2 GLN 76 2HE2 GLN 76 15.767 18.994 6.486 597 H ALA 77 H ALA 77 16.724 15.115 1.355 598 HA ALA 77 HA ALA 77 17.119 15.753 -1.305 599 1HB ALA 77 1HB ALA 77 15.122 13.798 -0.177 600 2HB ALA 77 2HB ALA 77 16.836 13.481 -0.442 601 3HB ALA 77 3HB ALA 77 15.776 13.798 -1.815 602 H LEU 78 H LEU 78 15.233 15.510 -2.957 603 HA LEU 78 HA LEU 78 13.864 17.948 -3.009 604 1HB LEU 78 2HB LEU 78 13.369 15.412 -4.589 605 2HB LEU 78 1HB LEU 78 12.586 16.942 -4.929 606 HG LEU 78 HG LEU 78 14.874 17.929 -5.336 607 1HD1 LEU 78 1HD1 LEU 78 16.715 16.390 -5.827 608 2HD1 LEU 78 2HD1 LEU 78 15.733 15.035 -5.265 609 3HD1 LEU 78 3HD1 LEU 78 16.224 16.298 -4.135 610 1HD2 LEU 78 1HD2 LEU 78 14.024 15.642 -7.113 611 2HD2 LEU 78 2HD2 LEU 78 15.084 16.972 -7.577 612 3HD2 LEU 78 3HD2 LEU 78 13.399 17.290 -7.168 613 H SER 79 H SER 79 12.612 14.666 -2.469 614 HA SER 79 HA SER 79 10.395 15.854 -0.928 615 1HB SER 79 2HB SER 79 10.249 13.329 -2.607 616 2HB SER 79 1HB SER 79 8.927 14.077 -1.712 617 HG SER 79 HG SER 79 8.889 14.598 -3.951 618 HA PRO 80 HA PRO 80 12.946 13.150 1.767 619 1HB PRO 80 2HB PRO 80 12.774 14.657 4.007 620 2HB PRO 80 1HB PRO 80 13.892 15.042 2.693 621 1HG PRO 80 2HG PRO 80 11.221 16.244 3.318 622 2HG PRO 80 1HG PRO 80 12.717 17.047 2.808 623 1HD PRO 80 2HD PRO 80 10.650 16.474 1.105 624 2HD PRO 80 1HD PRO 80 12.341 16.604 0.584 625 H VAL 81 H VAL 81 11.793 11.363 2.203 626 HA VAL 81 HA VAL 81 9.220 11.375 3.438 627 HB VAL 81 HB VAL 81 9.601 8.908 3.734 628 1HG1 VAL 81 1HG1 VAL 81 8.526 9.812 1.723 629 2HG1 VAL 81 2HG1 VAL 81 9.464 8.360 1.374 630 3HG1 VAL 81 3HG1 VAL 81 10.104 9.948 0.944 631 1HG2 VAL 81 1HG2 VAL 81 12.028 8.943 3.991 632 2HG2 VAL 81 2HG2 VAL 81 12.209 9.480 2.320 633 3HG2 VAL 81 3HG2 VAL 81 11.551 7.879 2.667 634 H ASN 82 H ASN 82 8.721 11.495 5.521 635 HA ASN 82 HA ASN 82 10.732 11.852 7.522 636 1HB ASN 82 2HB ASN 82 8.489 13.003 7.523 637 2HB ASN 82 1HB ASN 82 7.750 11.458 7.931 638 1HD2 ASN 82 1HD2 ASN 82 9.679 14.101 9.061 639 2HD2 ASN 82 2HD2 ASN 82 9.649 13.679 10.738 640 H ILE 83 H ILE 83 11.898 10.141 8.133 641 HA ILE 83 HA ILE 83 10.533 7.704 9.035 642 HB ILE 83 HB ILE 83 12.299 6.300 7.928 643 1HG1 ILE 83 2HG1 ILE 83 12.883 8.865 6.415 644 2HG1 ILE 83 1HG1 ILE 83 13.971 8.058 7.541 645 1HG2 ILE 83 1HG2 ILE 83 11.257 6.285 5.718 646 2HG2 ILE 83 2HG2 ILE 83 10.529 7.860 6.042 647 3HG2 ILE 83 3HG2 ILE 83 10.048 6.453 6.992 648 1HD1 ILE 83 1HD1 ILE 83 14.586 7.632 5.230 649 2HD1 ILE 83 2HD1 ILE 83 12.996 6.930 4.926 650 3HD1 ILE 83 3HD1 ILE 83 14.109 6.144 6.048 651 H ASP 84 H ASP 84 12.859 6.213 9.520 652 HA ASP 84 HA ASP 84 13.648 6.934 12.045 653 1HB ASP 84 2HB ASP 84 15.496 5.532 10.095 654 2HB ASP 84 1HB ASP 84 15.414 5.324 11.841 655 H ARG 85 H ARG 85 15.362 7.565 9.022 656 HA ARG 85 HA ARG 85 16.863 9.105 8.347 657 1HB ARG 85 2HB ARG 85 14.797 10.476 9.504 658 2HB ARG 85 1HB ARG 85 16.168 11.112 10.404 659 1HG ARG 85 2HG ARG 85 15.829 12.565 8.568 660 2HG ARG 85 1HG ARG 85 17.259 11.603 8.186 661 1HD ARG 85 2HD ARG 85 15.844 10.103 6.814 662 2HD ARG 85 1HD ARG 85 14.459 11.144 7.144 663 HE ARG 85 HE ARG 85 16.630 12.616 6.030 664 1HH1 ARG 85 1HH1 ARG 85 13.945 10.512 5.201 665 2HH1 ARG 85 2HH1 ARG 85 13.891 11.027 3.550 666 1HH2 ARG 85 1HH2 ARG 85 16.522 13.312 3.853 667 2HH2 ARG 85 2HH2 ARG 85 15.350 12.606 2.781 668 H GLN 86 H GLN 86 16.849 10.074 11.767 669 HA GLN 86 HA GLN 86 19.656 10.290 11.949 670 1HB GLN 86 2HB GLN 86 17.626 9.921 14.171 671 2HB GLN 86 1HB GLN 86 19.281 10.477 14.381 672 1HG GLN 86 2HG GLN 86 18.789 12.475 13.073 673 2HG GLN 86 1HG GLN 86 17.136 11.915 12.823 674 1HE2 GLN 86 1HE2 GLN 86 16.222 13.693 13.830 675 2HE2 GLN 86 2HE2 GLN 86 16.309 13.939 15.543 676 H ALA 87 H ALA 87 17.397 7.711 12.672 677 HA ALA 87 HA ALA 87 19.507 5.977 13.713 678 1HB ALA 87 1HB ALA 87 17.354 6.058 14.896 679 2HB ALA 87 2HB ALA 87 17.697 4.441 14.282 680 3HB ALA 87 3HB ALA 87 16.537 5.474 13.446 681 H TRP 88 H TRP 88 18.811 6.850 10.743 682 HA TRP 88 HA TRP 88 18.358 4.307 9.456 683 1HB TRP 88 2HB TRP 88 17.644 6.661 8.616 684 2HB TRP 88 1HB TRP 88 19.307 6.811 8.055 685 HD1 TRP 88 HD TRP 88 16.542 4.105 7.726 686 HE1 TRP 88 1HE TRP 88 16.525 3.268 5.294 687 HE3 TRP 88 3HE TRP 88 20.310 6.997 5.852 688 HZ2 TRP 88 2HZ TRP 88 17.916 3.776 2.903 689 HZ3 TRP 88 3HZ TRP 88 20.901 6.762 3.475 690 HH2 TRP 88 HH TRP 88 19.728 5.185 2.031 691 H LEU 89 H LEU 89 19.942 3.470 7.790 692 HA LEU 89 HA LEU 89 22.401 3.076 9.191 693 1HB LEU 89 2HB LEU 89 23.003 1.610 7.159 694 2HB LEU 89 1HB LEU 89 21.748 1.087 8.251 695 HG LEU 89 HG LEU 89 21.300 0.631 5.845 696 1HD1 LEU 89 1HD1 LEU 89 19.467 0.700 7.434 697 2HD1 LEU 89 2HD1 LEU 89 18.965 1.313 5.859 698 3HD1 LEU 89 3HD1 LEU 89 19.290 2.437 7.179 699 1HD2 LEU 89 1HD2 LEU 89 20.613 2.398 4.352 700 2HD2 LEU 89 2HD2 LEU 89 22.266 2.678 4.902 701 3HD2 LEU 89 3HD2 LEU 89 20.937 3.610 5.591 702 H GLY 90 H GLY 90 21.444 5.058 6.516 703 1HA GLY 90 2HA GLY 90 22.621 7.027 5.979 704 2HA GLY 90 1HA GLY 90 24.083 6.321 6.646 705 H GLU 91 H GLU 91 25.319 6.849 4.867 706 HA GLU 91 HA GLU 91 24.425 6.260 2.188 707 1HB GLU 91 2HB GLU 91 25.706 8.306 2.759 708 2HB GLU 91 1HB GLU 91 27.098 7.307 3.153 709 1HG GLU 91 2HG GLU 91 27.259 6.566 0.847 710 2HG GLU 91 1HG GLU 91 25.797 7.462 0.436 711 H GLU 92 H GLU 92 25.892 4.404 4.556 712 HA GLU 92 HA GLU 92 27.898 3.035 3.149 713 1HB GLU 92 2HB GLU 92 27.656 1.269 4.848 714 2HB GLU 92 1HB GLU 92 27.715 2.870 5.573 715 1HG GLU 92 2HG GLU 92 25.312 2.847 5.902 716 2HG GLU 92 1HG GLU 92 25.194 1.288 5.085 717 H VAL 93 H VAL 93 24.467 2.864 3.001 718 HA VAL 93 HA VAL 93 24.178 0.252 1.992 719 HB VAL 93 HB VAL 93 22.282 1.505 2.915 720 1HG1 VAL 93 1HG1 VAL 93 22.425 3.184 0.411 721 2HG1 VAL 93 2HG1 VAL 93 22.836 3.724 2.039 722 3HG1 VAL 93 3HG1 VAL 93 21.175 3.269 1.654 723 1HG2 VAL 93 1HG2 VAL 93 21.843 -0.374 1.405 724 2HG2 VAL 93 2HG2 VAL 93 21.836 0.729 0.029 725 3HG2 VAL 93 3HG2 VAL 93 20.595 0.866 1.275 726 H LEU 94 H LEU 94 25.188 3.222 0.528 727 HA LEU 94 HA LEU 94 24.734 2.504 -2.195 728 1HB LEU 94 2HB LEU 94 26.558 4.527 -0.886 729 2HB LEU 94 1HB LEU 94 26.537 4.285 -2.620 730 HG LEU 94 HG LEU 94 25.201 6.204 -2.108 731 1HD1 LEU 94 1HD1 LEU 94 24.390 4.785 -3.906 732 2HD1 LEU 94 2HD1 LEU 94 23.055 5.571 -3.067 733 3HD1 LEU 94 3HD1 LEU 94 23.408 3.870 -2.762 734 1HD2 LEU 94 1HD2 LEU 94 23.232 6.120 -0.663 735 2HD2 LEU 94 2HD2 LEU 94 24.704 5.741 0.230 736 3HD2 LEU 94 3HD2 LEU 94 23.605 4.447 -0.246 737 H ALA 95 H ALA 95 27.258 1.909 0.130 738 HA ALA 95 HA ALA 95 29.152 0.926 -1.820 739 1HB ALA 95 1HB ALA 95 29.216 0.795 1.199 740 2HB ALA 95 2HB ALA 95 29.943 2.056 0.205 741 3HB ALA 95 3HB ALA 95 30.553 0.403 0.118 742 H GLU 96 H GLU 96 27.343 -0.511 0.893 743 HA GLU 96 HA GLU 96 27.491 -3.129 -0.467 744 1HB GLU 96 2HB GLU 96 27.620 -2.526 2.502 745 2HB GLU 96 1HB GLU 96 27.502 -4.143 1.818 746 1HG GLU 96 2HG GLU 96 29.761 -2.233 1.240 747 2HG GLU 96 1HG GLU 96 29.799 -3.455 2.511 748 HA PRO 97 HA PRO 97 23.053 -2.251 0.190 749 1HB PRO 97 2HB PRO 97 22.182 -2.706 -2.285 750 2HB PRO 97 1HB PRO 97 23.100 -1.239 -1.911 751 1HG PRO 97 2HG PRO 97 24.000 -3.738 -3.285 752 2HG PRO 97 1HG PRO 97 24.448 -2.055 -3.610 753 1HD PRO 97 2HD PRO 97 25.933 -3.911 -2.097 754 2HD PRO 97 1HD PRO 97 26.194 -2.158 -2.153 755 H ARG 98 H ARG 98 21.120 -3.583 -0.096 756 HA ARG 98 HA ARG 98 21.224 -6.243 -1.064 757 1HB ARG 98 2HB ARG 98 20.918 -7.497 0.959 758 2HB ARG 98 1HB ARG 98 22.372 -6.530 1.162 759 1HG ARG 98 2HG ARG 98 21.069 -4.904 2.486 760 2HG ARG 98 1HG ARG 98 19.651 -5.945 2.325 761 1HD ARG 98 2HD ARG 98 20.991 -7.780 3.399 762 2HD ARG 98 1HD ARG 98 22.252 -6.588 3.716 763 HE ARG 98 HE ARG 98 19.510 -6.308 4.775 764 1HH1 ARG 98 1HH1 ARG 98 22.978 -6.284 5.222 765 2HH1 ARG 98 2HH1 ARG 98 22.891 -5.803 6.886 766 1HH2 ARG 98 1HH2 ARG 98 19.382 -5.685 6.966 767 2HH2 ARG 98 2HH2 ARG 98 20.836 -5.465 7.886 768 HA PRO 99 HA PRO 99 17.141 -5.347 -1.924 769 1HB PRO 99 2HB PRO 99 15.729 -7.643 -1.334 770 2HB PRO 99 1HB PRO 99 16.746 -7.434 -2.759 771 1HG PRO 99 2HG PRO 99 17.399 -8.750 -0.144 772 2HG PRO 99 1HG PRO 99 17.756 -9.300 -1.794 773 1HD PRO 99 2HD PRO 99 19.643 -8.138 -0.302 774 2HD PRO 99 1HD PRO 99 19.526 -7.799 -2.043 775 H ASP 100 H ASP 100 17.580 -6.563 1.347 776 HA ASP 100 HA ASP 100 14.899 -5.674 2.120 777 1HB ASP 100 2HB ASP 100 15.355 -6.800 4.258 778 2HB ASP 100 1HB ASP 100 15.611 -7.876 2.888 779 H MET 101 H MET 101 17.744 -4.144 1.780 780 HA MET 101 HA MET 101 18.342 -2.874 4.167 781 1HB MET 101 2HB MET 101 18.613 -2.058 1.298 782 2HB MET 101 1HB MET 101 18.920 -0.859 2.544 783 1HG MET 101 2HG MET 101 20.319 -3.511 2.296 784 2HG MET 101 1HG MET 101 20.966 -1.951 1.788 785 1HE MET 101 1HE MET 101 22.589 -3.857 3.728 786 2HE MET 101 2HE MET 101 23.148 -2.704 4.940 787 3HE MET 101 3HE MET 101 23.154 -2.262 3.232 788 H PHE 102 H PHE 102 16.061 -1.744 1.667 789 HA PHE 102 HA PHE 102 15.262 0.456 3.402 790 1HB PHE 102 2HB PHE 102 14.507 -0.196 0.541 791 2HB PHE 102 1HB PHE 102 13.974 1.235 1.414 792 HD1 PHE 102 1HD PHE 102 15.184 1.784 -1.047 793 HD2 PHE 102 2HD PHE 102 17.129 0.895 2.641 794 HE1 PHE 102 1HE PHE 102 17.194 2.984 -1.812 795 HE2 PHE 102 2HE PHE 102 19.132 2.090 1.872 796 HZ PHE 102 HZ PHE 102 19.164 3.137 -0.353 797 H ARG 103 H ARG 103 14.336 -2.687 3.119 798 HA ARG 103 HA ARG 103 11.553 -2.610 2.786 799 1HB ARG 103 2HB ARG 103 12.993 -4.686 2.787 800 2HB ARG 103 1HB ARG 103 13.050 -4.573 4.542 801 1HG ARG 103 2HG ARG 103 10.561 -4.726 4.576 802 2HG ARG 103 1HG ARG 103 10.597 -4.996 2.835 803 1HD ARG 103 2HD ARG 103 10.443 -7.144 3.779 804 2HD ARG 103 1HD ARG 103 12.141 -6.968 3.334 805 HE ARG 103 HE ARG 103 11.215 -6.480 6.095 806 1HH1 ARG 103 1HH1 ARG 103 13.300 -8.159 3.839 807 2HH1 ARG 103 2HH1 ARG 103 14.236 -8.935 5.076 808 1HH2 ARG 103 1HH2 ARG 103 12.420 -7.539 7.732 809 2HH2 ARG 103 2HH2 ARG 103 13.723 -8.595 7.288 810 H ALA 104 H ALA 104 13.568 -2.092 5.606 811 HA ALA 104 HA ALA 104 11.563 -2.130 7.582 812 1HB ALA 104 1HB ALA 104 14.149 -0.558 7.533 813 2HB ALA 104 2HB ALA 104 13.945 -2.204 8.131 814 3HB ALA 104 3HB ALA 104 13.155 -0.862 8.958 815 H GLN 105 H GLN 105 12.890 0.497 5.602 816 HA GLN 105 HA GLN 105 11.179 2.482 6.759 817 1HB GLN 105 2HB GLN 105 13.046 2.523 4.388 818 2HB GLN 105 1HB GLN 105 12.065 3.911 4.844 819 1HG GLN 105 2HG GLN 105 14.255 4.192 5.761 820 2HG GLN 105 1HG GLN 105 13.129 3.881 7.081 821 1HE2 GLN 105 1HE2 GLN 105 14.593 3.079 8.514 822 2HE2 GLN 105 2HE2 GLN 105 15.463 1.601 8.278 823 H GLN 106 H GLN 106 10.940 0.266 4.101 824 HA GLN 106 HA GLN 106 8.860 1.414 2.628 825 1HB GLN 106 2HB GLN 106 9.997 -0.693 1.971 826 2HB GLN 106 1HB GLN 106 9.243 -1.519 3.330 827 1HG GLN 106 2HG GLN 106 7.016 -0.724 2.238 828 2HG GLN 106 1HG GLN 106 8.004 -0.521 0.794 829 1HE2 GLN 106 1HE2 GLN 106 6.912 -2.118 -0.316 830 2HE2 GLN 106 2HE2 GLN 106 7.082 -3.799 0.047 831 H LEU 107 H LEU 107 8.704 -0.851 5.352 832 HA LEU 107 HA LEU 107 5.884 -0.623 5.669 833 1HB LEU 107 2HB LEU 107 7.389 -2.569 6.371 834 2HB LEU 107 1HB LEU 107 7.830 -1.592 7.760 835 HG LEU 107 HG LEU 107 5.364 -1.495 8.338 836 1HD1 LEU 107 1HD1 LEU 107 5.195 -3.667 6.256 837 2HD1 LEU 107 2HD1 LEU 107 4.452 -2.069 6.169 838 3HD1 LEU 107 3HD1 LEU 107 3.918 -3.223 7.390 839 1HD2 LEU 107 1HD2 LEU 107 6.917 -2.954 9.534 840 2HD2 LEU 107 2HD2 LEU 107 6.693 -4.212 8.318 841 3HD2 LEU 107 3HD2 LEU 107 5.346 -3.729 9.350 842 H GLN 108 H GLN 108 8.660 1.027 7.012 843 HA GLN 108 HA GLN 108 7.509 2.344 9.187 844 1HB GLN 108 2HB GLN 108 9.940 2.362 8.547 845 2HB GLN 108 1HB GLN 108 9.551 3.491 7.261 846 1HG GLN 108 2HG GLN 108 10.412 4.792 9.012 847 2HG GLN 108 1HG GLN 108 8.669 5.041 9.057 848 1HE2 GLN 108 1HE2 GLN 108 10.723 5.341 11.142 849 2HE2 GLN 108 2HE2 GLN 108 10.214 4.344 12.456 850 H ILE 109 H ILE 109 7.882 3.546 5.845 851 HA ILE 109 HA ILE 109 6.227 5.804 6.140 852 HB ILE 109 HB ILE 109 7.128 4.241 3.720 853 1HG1 ILE 109 2HG1 ILE 109 8.815 5.647 4.782 854 2HG1 ILE 109 1HG1 ILE 109 8.365 6.336 3.230 855 1HG2 ILE 109 1HG2 ILE 109 5.340 6.676 3.689 856 2HG2 ILE 109 2HG2 ILE 109 4.920 5.054 3.135 857 3HG2 ILE 109 3HG2 ILE 109 6.148 5.989 2.280 858 1HD1 ILE 109 1HD1 ILE 109 6.977 7.986 4.338 859 2HD1 ILE 109 2HD1 ILE 109 8.626 8.034 4.963 860 3HD1 ILE 109 3HD1 ILE 109 7.350 7.269 5.907 861 H PHE 110 H PHE 110 5.537 2.475 5.184 862 HA PHE 110 HA PHE 110 2.924 2.696 4.324 863 1HB PHE 110 2HB PHE 110 4.211 0.591 4.265 864 2HB PHE 110 1HB PHE 110 4.109 0.473 6.016 865 HD1 PHE 110 1HD PHE 110 2.386 -0.044 2.869 866 HD2 PHE 110 2HD PHE 110 1.927 -0.017 7.105 867 HE1 PHE 110 1HE PHE 110 0.264 -1.262 2.646 868 HE2 PHE 110 2HE PHE 110 -0.197 -1.238 6.884 869 HZ PHE 110 HZ PHE 110 -1.033 -1.855 4.650 870 H ASN 111 H ASN 111 4.006 2.099 7.678 871 HA ASN 111 HA ASN 111 1.371 2.278 8.749 872 1HB ASN 111 2HB ASN 111 4.087 2.335 10.082 873 2HB ASN 111 1HB ASN 111 2.575 2.405 10.979 874 1HD2 ASN 111 1HD2 ASN 111 4.743 0.404 9.186 875 2HD2 ASN 111 2HD2 ASN 111 3.950 -1.097 9.506 876 H LEU 112 H LEU 112 3.905 4.587 8.136 877 HA LEU 112 HA LEU 112 3.054 6.655 9.852 878 1HB LEU 112 2HB LEU 112 5.260 6.578 8.721 879 2HB LEU 112 1HB LEU 112 4.468 6.882 7.185 880 HG LEU 112 HG LEU 112 3.681 9.084 8.090 881 1HD1 LEU 112 1HD1 LEU 112 4.761 9.982 10.094 882 2HD1 LEU 112 2HD1 LEU 112 5.535 8.424 10.382 883 3HD1 LEU 112 3HD1 LEU 112 3.780 8.567 10.470 884 1HD2 LEU 112 1HD2 LEU 112 5.650 8.939 6.656 885 2HD2 LEU 112 2HD2 LEU 112 6.671 8.653 8.065 886 3HD2 LEU 112 3HD2 LEU 112 5.847 10.201 7.871 887 H MET 113 H MET 113 2.314 5.985 6.440 888 HA MET 113 HA MET 113 0.341 8.151 6.399 889 1HB MET 113 2HB MET 113 0.219 7.736 3.993 890 2HB MET 113 1HB MET 113 1.872 8.008 4.513 891 1HG MET 113 2HG MET 113 2.310 5.616 4.416 892 2HG MET 113 1HG MET 113 0.641 5.320 3.935 893 1HE MET 113 1HE MET 113 1.713 3.901 1.873 894 2HE MET 113 2HE MET 113 3.346 4.361 2.355 895 3HE MET 113 3HE MET 113 2.816 4.607 0.691 896 H LYS 114 H LYS 114 0.309 5.097 7.433 897 HA LYS 114 HA LYS 114 -1.975 3.926 6.288 898 1HB LYS 114 2HB LYS 114 -0.392 2.694 7.701 899 2HB LYS 114 1HB LYS 114 -0.869 3.651 9.097 900 1HG LYS 114 2HG LYS 114 -3.126 2.712 8.980 901 2HG LYS 114 1HG LYS 114 -2.661 1.767 7.562 902 1HD LYS 114 2HD LYS 114 -1.037 0.533 8.875 903 2HD LYS 114 1HD LYS 114 -1.376 1.535 10.289 904 1HE LYS 114 2HE LYS 114 -3.343 -0.302 8.914 905 2HE LYS 114 1HE LYS 114 -2.498 -0.647 10.423 906 1HZ LYS 114 1HZ LYS 114 -3.597 1.339 11.378 907 2HZ LYS 114 2HZ LYS 114 -4.684 0.130 10.923 908 3HZ LYS 114 3HZ LYS 114 -4.497 1.500 9.953 909 H PHE 115 H PHE 115 -1.632 6.598 8.440 910 HA PHE 115 HA PHE 115 -4.563 6.737 8.724 911 1HB PHE 115 2HB PHE 115 -4.264 7.736 10.973 912 2HB PHE 115 1HB PHE 115 -3.673 6.084 10.889 913 HD1 PHE 115 1HD PHE 115 -1.200 5.669 10.777 914 HD2 PHE 115 2HD PHE 115 -2.826 9.528 11.571 915 HE1 PHE 115 1HE PHE 115 0.962 6.389 11.698 916 HE2 PHE 115 2HE PHE 115 -0.660 10.252 12.489 917 HZ PHE 115 HZ PHE 115 1.235 8.684 12.553 918 H ASP 116 H ASP 116 -2.455 7.976 6.909 919 HA ASP 116 HA ASP 116 -3.274 10.783 7.323 920 1HB ASP 116 2HB ASP 116 -0.574 9.685 6.597 921 2HB ASP 116 1HB ASP 116 -1.053 11.261 5.977 922 H SER 117 H SER 117 -1.510 9.295 4.625 923 HA SER 117 HA SER 117 -3.138 10.521 2.674 924 1HB SER 117 2HB SER 117 -1.960 8.990 1.083 925 2HB SER 117 1HB SER 117 -0.851 9.844 2.155 926 HG SER 117 HG SER 117 -0.411 7.570 1.947 927 H TYR 118 H TYR 118 -3.053 7.313 4.120 928 HA TYR 118 HA TYR 118 -5.113 6.085 2.673 929 1HB TYR 118 2HB TYR 118 -3.741 4.785 4.159 930 2HB TYR 118 1HB TYR 118 -4.215 5.757 5.543 931 HD1 TYR 118 1HD TYR 118 -6.203 5.271 6.769 932 HD2 TYR 118 2HD TYR 118 -5.395 3.195 3.140 933 HE1 TYR 118 1HE TYR 118 -7.976 3.661 7.302 934 HE2 TYR 118 2HE TYR 118 -7.166 1.577 3.665 935 HH TYR 118 HH TYR 118 -9.449 2.074 6.133 936 H ALA 119 H ALA 119 -5.272 7.874 5.740 937 HA ALA 119 HA ALA 119 -8.048 7.672 6.104 938 1HB ALA 119 1HB ALA 119 -7.789 9.439 7.766 939 2HB ALA 119 2HB ALA 119 -6.181 9.808 7.138 940 3HB ALA 119 3HB ALA 119 -6.491 8.251 7.907 941 H ARG 120 H ARG 120 -6.133 9.823 4.165 942 HA ARG 120 HA ARG 120 -8.195 11.776 3.745 943 1HB ARG 120 2HB ARG 120 -5.827 12.367 3.503 944 2HB ARG 120 1HB ARG 120 -5.651 11.197 2.203 945 1HG ARG 120 2HG ARG 120 -5.794 13.388 1.253 946 2HG ARG 120 1HG ARG 120 -7.273 12.512 0.859 947 1HD ARG 120 2HD ARG 120 -8.432 13.667 2.699 948 2HD ARG 120 1HD ARG 120 -6.953 14.557 3.064 949 HE ARG 120 HE ARG 120 -8.824 15.084 0.948 950 1HH1 ARG 120 1HH1 ARG 120 -5.468 15.482 1.931 951 2HH1 ARG 120 2HH1 ARG 120 -5.199 16.826 0.865 952 1HH2 ARG 120 1HH2 ARG 120 -8.440 16.855 -0.428 953 2HH2 ARG 120 2HH2 ARG 120 -6.872 17.597 -0.463 954 H PHE 121 H PHE 121 -6.830 9.114 1.818 955 HA PHE 121 HA PHE 121 -8.388 9.655 -0.474 956 1HB PHE 121 2HB PHE 121 -6.247 8.387 -0.497 957 2HB PHE 121 1HB PHE 121 -7.070 7.036 0.278 958 HD1 PHE 121 1HD PHE 121 -8.058 5.391 -1.049 959 HD2 PHE 121 2HD PHE 121 -7.271 9.227 -2.734 960 HE1 PHE 121 1HE PHE 121 -8.755 4.566 -3.256 961 HE2 PHE 121 2HE PHE 121 -7.970 8.400 -4.943 962 HZ PHE 121 HZ PHE 121 -8.715 6.065 -5.204 963 H VAL 122 H VAL 122 -8.852 7.347 2.204 964 HA VAL 122 HA VAL 122 -11.083 6.068 0.976 965 HB VAL 122 HB VAL 122 -11.508 5.025 3.156 966 1HG1 VAL 122 1HG1 VAL 122 -8.574 5.091 2.429 967 2HG1 VAL 122 2HG1 VAL 122 -9.807 4.070 1.688 968 3HG1 VAL 122 3HG1 VAL 122 -9.374 3.840 3.383 969 1HG2 VAL 122 1HG2 VAL 122 -10.044 5.508 5.082 970 2HG2 VAL 122 2HG2 VAL 122 -11.035 6.896 4.634 971 3HG2 VAL 122 3HG2 VAL 122 -9.329 6.852 4.188 972 H LYS 123 H LYS 123 -10.802 9.126 2.358 973 HA LYS 123 HA LYS 123 -13.692 9.280 2.898 974 1HB LYS 123 2HB LYS 123 -11.345 10.899 3.803 975 2HB LYS 123 1HB LYS 123 -12.891 11.716 3.638 976 1HG LYS 123 2HG LYS 123 -12.636 11.034 5.909 977 2HG LYS 123 1HG LYS 123 -13.888 10.034 5.174 978 1HD LYS 123 2HD LYS 123 -12.291 8.207 4.908 979 2HD LYS 123 1HD LYS 123 -11.009 9.210 5.585 980 1HE LYS 123 2HE LYS 123 -13.501 8.277 7.013 981 2HE LYS 123 1HE LYS 123 -11.860 7.685 7.270 982 1HZ LYS 123 1HZ LYS 123 -12.496 9.265 8.973 983 2HZ LYS 123 2HZ LYS 123 -12.809 10.446 7.805 984 3HZ LYS 123 3HZ LYS 123 -11.231 9.892 8.040 985 H SER 124 H SER 124 -11.325 10.077 0.560 986 HA SER 124 HA SER 124 -12.314 12.485 -0.471 987 1HB SER 124 2HB SER 124 -11.001 12.026 -2.445 988 2HB SER 124 1HB SER 124 -10.101 11.436 -1.050 989 HG SER 124 HG SER 124 -11.168 9.340 -1.585 990 HA PRO 125 HA PRO 125 -16.134 11.470 -2.544 991 1HB PRO 125 2HB PRO 125 -15.141 13.328 -4.661 992 2HB PRO 125 1HB PRO 125 -16.671 13.346 -3.775 993 1HG PRO 125 2HG PRO 125 -14.754 15.106 -3.201 994 2HG PRO 125 1HG PRO 125 -15.728 14.375 -1.910 995 1HD PRO 125 2HD PRO 125 -12.926 13.742 -2.766 996 2HD PRO 125 1HD PRO 125 -13.619 13.810 -1.131 997 H LEU 126 H LEU 126 -13.070 11.499 -4.286 998 HA LEU 126 HA LEU 126 -13.801 10.160 -6.621 999 1HB LEU 126 2HB LEU 126 -11.601 11.291 -6.110 1000 2HB LEU 126 1HB LEU 126 -11.164 9.892 -5.155 1001 HG LEU 126 HG LEU 126 -11.816 9.674 -8.096 1002 1HD1 LEU 126 1HD1 LEU 126 -9.993 11.290 -7.825 1003 2HD1 LEU 126 2HD1 LEU 126 -9.423 9.786 -8.548 1004 3HD1 LEU 126 3HD1 LEU 126 -9.102 10.123 -6.846 1005 1HD2 LEU 126 1HD2 LEU 126 -10.205 7.919 -6.231 1006 2HD2 LEU 126 2HD2 LEU 126 -10.491 7.627 -7.946 1007 3HD2 LEU 126 3HD2 LEU 126 -11.836 7.583 -6.813 1008 H TYR 127 H TYR 127 -12.682 8.900 -3.505 1009 HA TYR 127 HA TYR 127 -12.691 6.180 -4.064 1010 1HB TYR 127 2HB TYR 127 -11.774 7.024 -1.986 1011 2HB TYR 127 1HB TYR 127 -13.346 7.640 -1.490 1012 HD1 TYR 127 1HD TYR 127 -11.837 4.371 -2.553 1013 HD2 TYR 127 2HD TYR 127 -14.469 6.399 0.113 1014 HE1 TYR 127 1HE TYR 127 -12.275 2.256 -1.381 1015 HE2 TYR 127 2HE TYR 127 -14.912 4.286 1.288 1016 HH TYR 127 HH TYR 127 -14.793 1.890 0.896 1017 H ARG 128 H ARG 128 -15.339 8.232 -2.896 1018 HA ARG 128 HA ARG 128 -17.254 6.169 -2.644 1019 1HB ARG 128 2HB ARG 128 -17.710 9.126 -3.139 1020 2HB ARG 128 1HB ARG 128 -18.913 7.985 -2.549 1021 1HG ARG 128 2HG ARG 128 -16.386 8.815 -1.121 1022 2HG ARG 128 1HG ARG 128 -18.031 9.312 -0.721 1023 1HD ARG 128 2HD ARG 128 -18.623 7.023 -0.164 1024 2HD ARG 128 1HD ARG 128 -17.026 6.462 -0.664 1025 HE ARG 128 HE ARG 128 -16.778 8.439 1.340 1026 1HH1 ARG 128 1HH1 ARG 128 -17.728 5.088 0.942 1027 2HH1 ARG 128 2HH1 ARG 128 -17.275 4.645 2.555 1028 1HH2 ARG 128 1HH2 ARG 128 -16.190 7.844 3.455 1029 2HH2 ARG 128 2HH2 ARG 128 -16.412 6.198 3.978 1030 H GLU 129 H GLU 129 -16.415 8.316 -5.334 1031 HA GLU 129 HA GLU 129 -18.531 7.537 -7.041 1032 1HB GLU 129 2HB GLU 129 -17.173 9.581 -7.395 1033 2HB GLU 129 1HB GLU 129 -15.786 8.579 -7.803 1034 1HG GLU 129 2HG GLU 129 -16.986 7.691 -9.739 1035 2HG GLU 129 1HG GLU 129 -18.392 8.668 -9.323 1036 H CYS 130 H CYS 130 -15.390 6.157 -6.335 1037 HA CYS 130 HA CYS 130 -15.364 4.254 -8.454 1038 1HB CYS 130 2HB CYS 130 -13.965 4.195 -5.766 1039 2HB CYS 130 1HB CYS 130 -13.621 3.108 -7.108 1040 HG CYS 130 HG CYS 130 -13.278 6.494 -7.387 1041 H LEU 131 H LEU 131 -16.731 4.330 -5.233 1042 HA LEU 131 HA LEU 131 -17.535 1.596 -5.133 1043 1HB LEU 131 2HB LEU 131 -18.199 4.084 -3.611 1044 2HB LEU 131 1HB LEU 131 -19.285 2.722 -3.460 1045 HG LEU 131 HG LEU 131 -17.439 1.323 -2.627 1046 1HD1 LEU 131 1HD1 LEU 131 -15.285 2.299 -2.062 1047 2HD1 LEU 131 2HD1 LEU 131 -15.776 3.834 -2.781 1048 3HD1 LEU 131 3HD1 LEU 131 -15.588 2.405 -3.796 1049 1HD2 LEU 131 1HD2 LEU 131 -17.751 3.931 -1.133 1050 2HD2 LEU 131 2HD2 LEU 131 -17.165 2.412 -0.451 1051 3HD2 LEU 131 3HD2 LEU 131 -18.826 2.535 -1.030 1052 H LEU 132 H LEU 132 -19.441 4.568 -5.632 1053 HA LEU 132 HA LEU 132 -20.698 3.707 -7.975 1054 1HB LEU 132 2HB LEU 132 -22.950 3.222 -7.281 1055 2HB LEU 132 1HB LEU 132 -21.864 2.123 -6.470 1056 HG LEU 132 HG LEU 132 -23.492 2.650 -4.873 1057 1HD1 LEU 132 1HD1 LEU 132 -21.204 4.512 -4.259 1058 2HD1 LEU 132 2HD1 LEU 132 -21.254 2.780 -3.930 1059 3HD1 LEU 132 3HD1 LEU 132 -22.367 3.867 -3.098 1060 1HD2 LEU 132 1HD2 LEU 132 -23.212 5.570 -5.578 1061 2HD2 LEU 132 2HD2 LEU 132 -24.238 4.907 -4.309 1062 3HD2 LEU 132 3HD2 LEU 132 -24.562 4.511 -5.995 1063 H ALA 133 H ALA 133 -22.332 5.256 -8.720 1064 HA ALA 133 HA ALA 133 -22.407 7.793 -7.242 1065 1HB ALA 133 1HB ALA 133 -21.500 7.552 -10.119 1066 2HB ALA 133 2HB ALA 133 -20.472 7.953 -8.744 1067 3HB ALA 133 3HB ALA 133 -21.753 9.060 -9.239 1068 H GLU 134 H GLU 134 -24.296 5.636 -7.906 1069 HA GLU 134 HA GLU 134 -26.182 7.055 -9.655 1070 1HB GLU 134 2HB GLU 134 -25.350 4.957 -10.653 1071 2HB GLU 134 1HB GLU 134 -25.887 4.066 -9.235 1072 1HG GLU 134 2HG GLU 134 -28.203 4.634 -9.732 1073 2HG GLU 134 1HG GLU 134 -27.685 5.585 -11.125 1074 H ALA 135 H ALA 135 -27.761 7.864 -8.552 1075 HA ALA 135 HA ALA 135 -29.679 7.982 -7.333 1076 1HB ALA 135 1HB ALA 135 -30.585 6.057 -6.156 1077 2HB ALA 135 2HB ALA 135 -29.063 5.190 -6.363 1078 3HB ALA 135 3HB ALA 135 -30.046 5.593 -7.770 1079 H GLU 136 H GLU 136 -27.416 6.105 -5.293 1080 HA GLU 136 HA GLU 136 -27.881 7.664 -2.976 1081 1HB GLU 136 2HB GLU 136 -25.673 5.759 -3.747 1082 2HB GLU 136 1HB GLU 136 -25.666 6.601 -2.207 1083 1HG GLU 136 2HG GLU 136 -26.543 4.333 -2.006 1084 2HG GLU 136 1HG GLU 136 -27.753 5.540 -1.581 Start of MODEL 8 1 1H SER 1 1HT SER 1 -2.117 -20.209 -1.902 2 2H SER 1 2HT SER 1 -3.616 -20.611 -1.233 3 3H SER 1 3HT SER 1 -2.224 -21.447 -0.752 4 HA SER 1 HA SER 1 -2.855 -19.900 0.943 5 1HB SER 1 2HB SER 1 -0.432 -20.312 0.503 6 2HB SER 1 1HB SER 1 -0.413 -18.916 -0.573 7 HG SER 1 HG SER 1 0.285 -18.612 1.702 8 H MET 2 H MET 2 -3.564 -17.888 1.564 9 HA MET 2 HA MET 2 -4.633 -15.901 1.430 10 1HB MET 2 2HB MET 2 -2.952 -15.526 -1.066 11 2HB MET 2 1HB MET 2 -3.910 -14.263 -0.307 12 1HG MET 2 2HG MET 2 -2.556 -14.495 1.738 13 2HG MET 2 1HG MET 2 -1.573 -15.712 0.929 14 1HE MET 2 1HE MET 2 -1.727 -11.249 -0.258 15 2HE MET 2 2HE MET 2 -2.621 -11.955 1.090 16 3HE MET 2 3HE MET 2 -3.070 -12.349 -0.571 17 H THR 3 H THR 3 -5.908 -14.459 -0.356 18 HA THR 3 HA THR 3 -7.651 -16.381 -1.763 19 HB THR 3 HB THR 3 -8.784 -15.346 0.155 20 HG1 THR 3 1HG THR 3 -9.928 -14.020 -2.044 21 1HG2 THR 3 1HG2 THR 3 -8.214 -12.713 -1.224 22 2HG2 THR 3 2HG2 THR 3 -7.510 -13.263 0.297 23 3HG2 THR 3 3HG2 THR 3 -9.238 -12.930 0.196 24 H GLU 4 H GLU 4 -8.899 -15.332 -3.586 25 HA GLU 4 HA GLU 4 -7.084 -13.906 -5.317 26 1HB GLU 4 2HB GLU 4 -9.910 -14.923 -5.691 27 2HB GLU 4 1HB GLU 4 -9.052 -14.023 -6.933 28 1HG GLU 4 2HG GLU 4 -8.920 -16.401 -7.364 29 2HG GLU 4 1HG GLU 4 -7.321 -15.755 -7.002 30 H GLU 5 H GLU 5 -8.460 -12.145 -6.739 31 HA GLU 5 HA GLU 5 -8.313 -9.862 -5.157 32 1HB GLU 5 2HB GLU 5 -9.237 -8.652 -7.085 33 2HB GLU 5 1HB GLU 5 -7.982 -9.787 -7.562 34 1HG GLU 5 2HG GLU 5 -9.667 -11.363 -8.334 35 2HG GLU 5 1HG GLU 5 -10.949 -10.274 -7.803 36 H GLN 6 H GLN 6 -9.721 -8.604 -4.125 37 HA GLN 6 HA GLN 6 -12.504 -9.520 -3.820 38 1HB GLN 6 2HB GLN 6 -10.831 -7.704 -2.050 39 2HB GLN 6 1HB GLN 6 -12.479 -8.219 -1.716 40 1HG GLN 6 2HG GLN 6 -11.735 -10.531 -1.522 41 2HG GLN 6 1HG GLN 6 -10.085 -10.042 -1.910 42 1HE2 GLN 6 1HE2 GLN 6 -12.602 -9.974 0.501 43 2HE2 GLN 6 2HE2 GLN 6 -11.599 -9.492 1.823 44 HA PRO 7 HA PRO 7 -14.184 -5.879 -5.767 45 1HB PRO 7 2HB PRO 7 -15.670 -5.274 -3.249 46 2HB PRO 7 1HB PRO 7 -16.279 -5.465 -4.897 47 1HG PRO 7 2HG PRO 7 -16.651 -7.390 -3.104 48 2HG PRO 7 1HG PRO 7 -16.235 -7.793 -4.783 49 1HD PRO 7 2HD PRO 7 -14.486 -7.785 -2.344 50 2HD PRO 7 1HD PRO 7 -14.537 -8.943 -3.691 51 H VAL 8 H VAL 8 -14.398 -3.489 -5.568 52 HA VAL 8 HA VAL 8 -12.001 -2.369 -4.546 53 HB VAL 8 HB VAL 8 -12.870 -0.201 -5.285 54 1HG1 VAL 8 1HG1 VAL 8 -13.428 -2.428 -7.251 55 2HG1 VAL 8 2HG1 VAL 8 -11.868 -1.657 -6.956 56 3HG1 VAL 8 3HG1 VAL 8 -13.188 -0.730 -7.669 57 1HG2 VAL 8 1HG2 VAL 8 -15.191 -0.416 -4.585 58 2HG2 VAL 8 2HG2 VAL 8 -15.462 -1.673 -5.796 59 3HG2 VAL 8 3HG2 VAL 8 -15.109 -0.021 -6.303 60 H ALA 9 H ALA 9 -15.237 -2.633 -3.264 61 HA ALA 9 HA ALA 9 -15.119 -0.602 -1.313 62 1HB ALA 9 1HB ALA 9 -17.213 -1.679 -2.002 63 2HB ALA 9 2HB ALA 9 -16.994 -1.761 -0.254 64 3HB ALA 9 3HB ALA 9 -16.689 -3.185 -1.249 65 H SER 10 H SER 10 -13.483 -3.568 -1.534 66 HA SER 10 HA SER 10 -13.202 -4.116 1.251 67 1HB SER 10 2HB SER 10 -11.537 -5.109 -1.077 68 2HB SER 10 1HB SER 10 -11.598 -5.815 0.541 69 HG SER 10 HG SER 10 -13.958 -6.016 0.078 70 H TRP 11 H TRP 11 -11.864 -1.711 -0.697 71 HA TRP 11 HA TRP 11 -9.235 -1.503 0.270 72 1HB TRP 11 2HB TRP 11 -11.147 0.728 -0.476 73 2HB TRP 11 1HB TRP 11 -9.418 0.930 -0.229 74 HD1 TRP 11 HD TRP 11 -8.926 -1.975 -1.968 75 HE1 TRP 11 1HE TRP 11 -8.918 -1.714 -4.534 76 HE3 TRP 11 3HE TRP 11 -11.296 2.529 -2.330 77 HZ2 TRP 11 2HZ TRP 11 -9.801 0.167 -6.452 78 HZ3 TRP 11 3HZ TRP 11 -11.675 3.501 -4.548 79 HH2 TRP 11 HH TRP 11 -10.942 2.342 -6.575 80 H ALA 12 H ALA 12 -12.317 -0.506 1.623 81 HA ALA 12 HA ALA 12 -11.224 1.002 3.789 82 1HB ALA 12 1HB ALA 12 -13.456 1.448 2.886 83 2HB ALA 12 2HB ALA 12 -13.513 1.104 4.616 84 3HB ALA 12 3HB ALA 12 -14.002 -0.131 3.453 85 H LEU 13 H LEU 13 -11.201 -2.266 3.244 86 HA LEU 13 HA LEU 13 -11.598 -3.078 6.006 87 1HB LEU 13 2HB LEU 13 -10.641 -4.649 3.603 88 2HB LEU 13 1HB LEU 13 -10.974 -5.330 5.185 89 HG LEU 13 HG LEU 13 -13.011 -4.047 3.352 90 1HD1 LEU 13 1HD1 LEU 13 -12.594 -6.936 4.122 91 2HD1 LEU 13 2HD1 LEU 13 -12.247 -6.221 2.548 92 3HD1 LEU 13 3HD1 LEU 13 -13.908 -6.308 3.129 93 1HD2 LEU 13 1HD2 LEU 13 -13.567 -3.665 5.696 94 2HD2 LEU 13 2HD2 LEU 13 -13.367 -5.383 6.040 95 3HD2 LEU 13 3HD2 LEU 13 -14.669 -4.842 4.981 96 H SER 14 H SER 14 -8.945 -2.610 3.715 97 HA SER 14 HA SER 14 -7.053 -2.413 5.903 98 1HB SER 14 2HB SER 14 -6.581 -4.462 3.724 99 2HB SER 14 1HB SER 14 -5.554 -4.140 5.117 100 HG SER 14 HG SER 14 -7.034 -5.062 6.442 101 H PHE 15 H PHE 15 -5.569 -0.922 5.468 102 HA PHE 15 HA PHE 15 -5.489 0.593 3.108 103 1HB PHE 15 2HB PHE 15 -4.637 1.508 5.182 104 2HB PHE 15 1HB PHE 15 -3.430 0.232 5.306 105 HD1 PHE 15 1HD PHE 15 -1.308 1.075 5.024 106 HD2 PHE 15 2HD PHE 15 -4.452 2.585 2.579 107 HE1 PHE 15 1HE PHE 15 0.302 2.501 3.835 108 HE2 PHE 15 2HE PHE 15 -2.846 4.011 1.389 109 HZ PHE 15 HZ PHE 15 -0.466 3.972 2.017 110 H GLU 16 H GLU 16 -3.424 -1.996 4.275 111 HA GLU 16 HA GLU 16 -1.613 -2.462 2.347 112 1HB GLU 16 2HB GLU 16 -3.407 -4.622 3.498 113 2HB GLU 16 1HB GLU 16 -1.827 -4.867 2.776 114 1HG GLU 16 2HG GLU 16 -1.590 -5.036 5.109 115 2HG GLU 16 1HG GLU 16 -0.846 -3.516 4.626 116 H ARG 17 H ARG 17 -4.914 -3.757 2.300 117 HA ARG 17 HA ARG 17 -4.775 -5.031 -0.154 118 1HB ARG 17 2HB ARG 17 -6.518 -5.464 1.533 119 2HB ARG 17 1HB ARG 17 -7.220 -3.885 1.230 120 1HG ARG 17 2HG ARG 17 -6.982 -5.884 -0.997 121 2HG ARG 17 1HG ARG 17 -8.294 -6.001 0.175 122 1HD ARG 17 2HD ARG 17 -9.071 -3.789 -0.403 123 2HD ARG 17 1HD ARG 17 -7.689 -3.536 -1.464 124 HE ARG 17 HE ARG 17 -10.059 -5.134 -2.011 125 1HH1 ARG 17 1HH1 ARG 17 -6.808 -4.277 -2.994 126 2HH1 ARG 17 2HH1 ARG 17 -7.067 -4.704 -4.659 127 1HH2 ARG 17 1HH2 ARG 17 -10.400 -5.670 -4.214 128 2HH2 ARG 17 2HH2 ARG 17 -9.108 -5.468 -5.351 129 H LEU 18 H LEU 18 -5.637 -1.716 0.635 130 HA LEU 18 HA LEU 18 -6.427 -0.925 -1.996 131 1HB LEU 18 2HB LEU 18 -7.157 0.412 -0.155 132 2HB LEU 18 1HB LEU 18 -5.522 0.586 0.456 133 HG LEU 18 HG LEU 18 -5.003 1.912 -1.654 134 1HD1 LEU 18 1HD1 LEU 18 -8.007 1.957 -1.891 135 2HD1 LEU 18 2HD1 LEU 18 -6.885 1.173 -3.003 136 3HD1 LEU 18 3HD1 LEU 18 -6.872 2.927 -2.834 137 1HD2 LEU 18 1HD2 LEU 18 -5.967 3.981 -0.783 138 2HD2 LEU 18 2HD2 LEU 18 -5.291 2.987 0.507 139 3HD2 LEU 18 3HD2 LEU 18 -7.039 3.047 0.264 140 H LEU 19 H LEU 19 -3.434 -0.811 -0.174 141 HA LEU 19 HA LEU 19 -2.098 0.951 -1.965 142 1HB LEU 19 2HB LEU 19 -1.719 0.818 0.491 143 2HB LEU 19 1HB LEU 19 -0.968 -0.746 0.260 144 HG LEU 19 HG LEU 19 0.801 0.280 -1.071 145 1HD1 LEU 19 1HD1 LEU 19 -0.426 2.136 -2.044 146 2HD1 LEU 19 2HD1 LEU 19 0.998 2.735 -1.196 147 3HD1 LEU 19 3HD1 LEU 19 -0.598 2.885 -0.456 148 1HD2 LEU 19 1HD2 LEU 19 1.924 1.496 0.720 149 2HD2 LEU 19 2HD2 LEU 19 1.122 0.049 1.327 150 3HD2 LEU 19 3HD2 LEU 19 0.395 1.634 1.587 151 H GLN 20 H GLN 20 -2.391 -2.492 -1.724 152 HA GLN 20 HA GLN 20 -0.248 -2.825 -3.719 153 1HB GLN 20 2HB GLN 20 -0.328 -5.226 -3.166 154 2HB GLN 20 1HB GLN 20 0.020 -4.229 -1.761 155 1HG GLN 20 2HG GLN 20 -2.514 -4.394 -1.293 156 2HG GLN 20 1HG GLN 20 -2.476 -5.747 -2.424 157 1HE2 GLN 20 1HE2 GLN 20 0.182 -4.918 -0.308 158 2HE2 GLN 20 2HE2 GLN 20 0.064 -6.301 0.716 159 H ASP 21 H ASP 21 -3.174 -1.916 -3.967 160 HA ASP 21 HA ASP 21 -3.960 -3.801 -6.092 161 1HB ASP 21 2HB ASP 21 -5.657 -3.321 -4.312 162 2HB ASP 21 1HB ASP 21 -5.632 -1.628 -4.798 163 HA PRO 22 HA PRO 22 -2.210 -0.813 -8.879 164 1HB PRO 22 2HB PRO 22 -4.025 -2.093 -10.866 165 2HB PRO 22 1HB PRO 22 -2.274 -1.851 -10.932 166 1HG PRO 22 2HG PRO 22 -3.294 -4.268 -10.448 167 2HG PRO 22 1HG PRO 22 -1.836 -3.711 -9.603 168 1HD PRO 22 2HD PRO 22 -4.660 -3.869 -8.611 169 2HD PRO 22 1HD PRO 22 -3.143 -4.245 -7.763 170 H LEU 23 H LEU 23 -5.706 -1.430 -9.061 171 HA LEU 23 HA LEU 23 -6.339 1.044 -10.334 172 1HB LEU 23 2HB LEU 23 -7.706 -1.110 -10.328 173 2HB LEU 23 1HB LEU 23 -8.190 -0.708 -8.695 174 HG LEU 23 HG LEU 23 -8.757 1.095 -11.061 175 1HD1 LEU 23 1HD1 LEU 23 -11.021 0.165 -11.069 176 2HD1 LEU 23 2HD1 LEU 23 -10.546 -1.013 -9.843 177 3HD1 LEU 23 3HD1 LEU 23 -9.817 -1.067 -11.450 178 1HD2 LEU 23 1HD2 LEU 23 -8.870 2.200 -8.888 179 2HD2 LEU 23 2HD2 LEU 23 -9.965 0.954 -8.294 180 3HD2 LEU 23 3HD2 LEU 23 -10.479 2.036 -9.588 181 H GLY 24 H GLY 24 -6.468 -0.155 -7.019 182 1HA GLY 24 2HA GLY 24 -7.572 2.103 -5.779 183 2HA GLY 24 1HA GLY 24 -6.562 0.893 -4.999 184 H LEU 25 H LEU 25 -4.167 1.101 -5.856 185 HA LEU 25 HA LEU 25 -3.097 3.402 -4.722 186 1HB LEU 25 2HB LEU 25 -2.082 1.009 -5.544 187 2HB LEU 25 1HB LEU 25 -1.440 2.061 -6.788 188 HG LEU 25 HG LEU 25 -0.962 2.272 -3.808 189 1HD1 LEU 25 1HD1 LEU 25 1.384 1.857 -4.434 190 2HD1 LEU 25 2HD1 LEU 25 0.875 1.616 -6.106 191 3HD1 LEU 25 3HD1 LEU 25 0.318 0.514 -4.850 192 1HD2 LEU 25 1HD2 LEU 25 0.539 4.139 -4.313 193 2HD2 LEU 25 2HD2 LEU 25 -1.131 4.515 -4.736 194 3HD2 LEU 25 3HD2 LEU 25 0.027 4.098 -6.002 195 H ALA 26 H ALA 26 -4.058 2.731 -8.033 196 HA ALA 26 HA ALA 26 -2.714 4.767 -9.384 197 1HB ALA 26 1HB ALA 26 -3.949 3.000 -10.542 198 2HB ALA 26 2HB ALA 26 -4.461 4.595 -11.092 199 3HB ALA 26 3HB ALA 26 -5.472 3.682 -9.972 200 H TYR 27 H TYR 27 -6.048 4.854 -8.091 201 HA TYR 27 HA TYR 27 -6.355 7.659 -8.484 202 1HB TYR 27 2HB TYR 27 -7.860 5.614 -6.864 203 2HB TYR 27 1HB TYR 27 -8.262 7.323 -6.759 204 HD1 TYR 27 1HD TYR 27 -8.769 8.532 -8.994 205 HD2 TYR 27 2HD TYR 27 -8.852 4.298 -8.531 206 HE1 TYR 27 1HE TYR 27 -10.210 8.350 -10.973 207 HE2 TYR 27 2HE TYR 27 -10.288 4.108 -10.518 208 HH TYR 27 HH TYR 27 -11.955 5.641 -11.734 209 H PHE 28 H PHE 28 -5.338 5.660 -5.798 210 HA PHE 28 HA PHE 28 -5.405 7.566 -3.761 211 1HB PHE 28 2HB PHE 28 -5.193 5.148 -3.375 212 2HB PHE 28 1HB PHE 28 -3.576 5.172 -4.067 213 HD1 PHE 28 1HD PHE 28 -5.150 7.550 -1.672 214 HD2 PHE 28 2HD PHE 28 -2.186 4.561 -2.313 215 HE1 PHE 28 1HE PHE 28 -4.221 7.998 0.555 216 HE2 PHE 28 2HE PHE 28 -1.253 5.007 -0.086 217 HZ PHE 28 HZ PHE 28 -2.271 6.725 1.356 218 H THR 29 H THR 29 -2.847 6.784 -6.085 219 HA THR 29 HA THR 29 -1.029 8.705 -4.915 220 HB THR 29 HB THR 29 -0.193 6.609 -6.016 221 HG1 THR 29 1HG THR 29 0.688 9.148 -6.964 222 1HG2 THR 29 1HG2 THR 29 -1.713 6.568 -7.953 223 2HG2 THR 29 2HG2 THR 29 -0.024 6.538 -8.459 224 3HG2 THR 29 3HG2 THR 29 -0.953 8.032 -8.578 225 H GLU 30 H GLU 30 -3.511 8.681 -7.301 226 HA GLU 30 HA GLU 30 -2.687 10.747 -8.994 227 1HB GLU 30 2HB GLU 30 -4.698 9.178 -9.244 228 2HB GLU 30 1HB GLU 30 -5.556 10.260 -8.160 229 1HG GLU 30 2HG GLU 30 -4.339 11.125 -10.780 230 2HG GLU 30 1HG GLU 30 -6.006 10.594 -10.599 231 H PHE 31 H PHE 31 -5.030 11.019 -6.291 232 HA PHE 31 HA PHE 31 -4.893 13.870 -6.341 233 1HB PHE 31 2HB PHE 31 -6.466 13.877 -4.594 234 2HB PHE 31 1HB PHE 31 -6.854 12.431 -5.513 235 HD1 PHE 31 1HD PHE 31 -6.066 10.189 -4.624 236 HD2 PHE 31 2HD PHE 31 -5.945 13.763 -2.308 237 HE1 PHE 31 1HE PHE 31 -5.916 8.852 -2.566 238 HE2 PHE 31 2HE PHE 31 -5.795 12.428 -0.248 239 HZ PHE 31 HZ PHE 31 -5.780 9.969 -0.376 240 H LEU 32 H LEU 32 -3.185 11.381 -4.582 241 HA LEU 32 HA LEU 32 -2.155 13.037 -2.526 242 1HB LEU 32 2HB LEU 32 -2.249 10.547 -2.466 243 2HB LEU 32 1HB LEU 32 -0.952 10.499 -3.642 244 HG LEU 32 HG LEU 32 0.556 11.583 -2.032 245 1HD1 LEU 32 1HD1 LEU 32 -0.124 11.904 0.291 246 2HD1 LEU 32 2HD1 LEU 32 -1.772 11.422 -0.116 247 3HD1 LEU 32 3HD1 LEU 32 -1.090 12.899 -0.799 248 1HD2 LEU 32 1HD2 LEU 32 -0.848 9.152 -0.914 249 2HD2 LEU 32 2HD2 LEU 32 0.760 9.716 -0.457 250 3HD2 LEU 32 3HD2 LEU 32 0.460 9.146 -2.097 251 H LYS 33 H LYS 33 -1.062 12.300 -5.801 252 HA LYS 33 HA LYS 33 1.435 13.692 -5.544 253 1HB LYS 33 2HB LYS 33 0.772 11.936 -7.325 254 2HB LYS 33 1HB LYS 33 -0.051 13.252 -8.143 255 1HG LYS 33 2HG LYS 33 2.881 13.349 -7.443 256 2HG LYS 33 1HG LYS 33 2.283 12.669 -8.954 257 1HD LYS 33 2HD LYS 33 1.250 14.834 -9.510 258 2HD LYS 33 1HD LYS 33 1.868 15.512 -8.004 259 1HE LYS 33 2HE LYS 33 3.583 14.379 -10.219 260 2HE LYS 33 1HE LYS 33 3.247 16.092 -9.987 261 1HZ LYS 33 1HZ LYS 33 5.398 15.368 -9.058 262 2HZ LYS 33 2HZ LYS 33 4.580 14.369 -7.967 263 3HZ LYS 33 3HZ LYS 33 4.375 16.045 -7.894 264 H LYS 34 H LYS 34 -1.838 14.487 -6.490 265 HA LYS 34 HA LYS 34 -1.456 17.134 -7.351 266 1HB LYS 34 2HB LYS 34 -3.557 15.687 -7.501 267 2HB LYS 34 1HB LYS 34 -3.854 16.098 -5.820 268 1HG LYS 34 2HG LYS 34 -3.939 18.491 -6.461 269 2HG LYS 34 1HG LYS 34 -3.750 18.010 -8.149 270 1HD LYS 34 2HD LYS 34 -5.814 16.563 -7.832 271 2HD LYS 34 1HD LYS 34 -6.045 17.386 -6.289 272 1HE LYS 34 2HE LYS 34 -7.414 18.486 -7.901 273 2HE LYS 34 1HE LYS 34 -6.059 19.556 -7.550 274 1HZ LYS 34 1HZ LYS 34 -4.986 18.783 -9.586 275 2HZ LYS 34 2HZ LYS 34 -6.498 19.466 -9.910 276 3HZ LYS 34 3HZ LYS 34 -6.310 17.784 -9.923 277 H GLU 35 H GLU 35 -1.775 15.677 -4.179 278 HA GLU 35 HA GLU 35 -1.579 18.222 -2.773 279 1HB GLU 35 2HB GLU 35 -1.636 15.379 -1.715 280 2HB GLU 35 1HB GLU 35 -1.737 16.836 -0.736 281 1HG GLU 35 2HG GLU 35 -3.751 15.955 -2.800 282 2HG GLU 35 1HG GLU 35 -3.923 15.795 -1.053 283 H PHE 36 H PHE 36 0.556 16.440 -4.383 284 HA PHE 36 HA PHE 36 2.805 16.511 -4.561 285 1HB PHE 36 2HB PHE 36 2.844 18.785 -3.785 286 2HB PHE 36 1HB PHE 36 2.641 18.278 -2.112 287 HD1 PHE 36 1HD PHE 36 4.515 18.110 -0.760 288 HD2 PHE 36 2HD PHE 36 4.992 17.860 -4.989 289 HE1 PHE 36 1HE PHE 36 6.958 18.046 -0.480 290 HE2 PHE 36 2HE PHE 36 7.437 17.798 -4.708 291 HZ PHE 36 HZ PHE 36 8.422 17.891 -2.454 292 H SER 37 H SER 37 1.305 15.354 -1.665 293 HA SER 37 HA SER 37 3.768 14.393 -0.507 294 1HB SER 37 2HB SER 37 1.739 15.246 0.810 295 2HB SER 37 1HB SER 37 0.996 13.682 0.464 296 HG SER 37 HG SER 37 3.603 13.723 1.494 297 H ALA 38 H ALA 38 2.726 13.345 -3.152 298 HA ALA 38 HA ALA 38 2.094 10.631 -2.978 299 1HB ALA 38 1HB ALA 38 3.812 12.011 -5.048 300 2HB ALA 38 2HB ALA 38 2.055 11.875 -5.088 301 3HB ALA 38 3HB ALA 38 3.053 10.428 -5.226 302 H GLU 39 H GLU 39 4.878 12.315 -2.096 303 HA GLU 39 HA GLU 39 7.101 10.854 -2.257 304 1HB GLU 39 2HB GLU 39 6.109 11.747 0.458 305 2HB GLU 39 1HB GLU 39 7.766 11.722 -0.136 306 1HG GLU 39 2HG GLU 39 7.424 13.615 -1.489 307 2HG GLU 39 1HG GLU 39 5.669 13.497 -1.359 308 H ASN 40 H ASN 40 4.421 10.152 -0.075 309 HA ASN 40 HA ASN 40 5.543 7.993 1.301 310 1HB ASN 40 2HB ASN 40 2.638 8.651 0.746 311 2HB ASN 40 1HB ASN 40 3.170 7.410 1.876 312 1HD2 ASN 40 1HD2 ASN 40 2.816 10.808 1.306 313 2HD2 ASN 40 2HD2 ASN 40 3.222 11.319 2.906 314 H VAL 41 H VAL 41 3.051 7.830 -1.248 315 HA VAL 41 HA VAL 41 3.152 5.018 -1.443 316 HB VAL 41 HB VAL 41 1.790 5.288 -3.503 317 1HG1 VAL 41 1HG1 VAL 41 0.922 6.968 -1.149 318 2HG1 VAL 41 2HG1 VAL 41 0.723 5.222 -1.319 319 3HG1 VAL 41 3HG1 VAL 41 -0.143 6.316 -2.397 320 1HG2 VAL 41 1HG2 VAL 41 2.808 7.335 -4.372 321 2HG2 VAL 41 2HG2 VAL 41 2.168 8.248 -3.005 322 3HG2 VAL 41 3HG2 VAL 41 1.067 7.534 -4.184 323 H THR 42 H THR 42 4.869 7.558 -3.160 324 HA THR 42 HA THR 42 5.840 5.887 -5.254 325 HB THR 42 HB THR 42 7.094 8.453 -4.237 326 HG1 THR 42 1HG THR 42 4.713 7.971 -5.550 327 1HG2 THR 42 1HG2 THR 42 8.456 7.153 -5.847 328 2HG2 THR 42 2HG2 THR 42 7.907 8.683 -6.529 329 3HG2 THR 42 3HG2 THR 42 7.109 7.177 -6.984 330 H PHE 43 H PHE 43 7.097 6.909 -2.097 331 HA PHE 43 HA PHE 43 9.606 5.609 -2.306 332 1HB PHE 43 2HB PHE 43 9.206 7.347 -0.623 333 2HB PHE 43 1HB PHE 43 7.995 6.338 0.159 334 HD1 PHE 43 1HD PHE 43 8.634 5.051 1.979 335 HD2 PHE 43 2HD PHE 43 11.600 6.268 -0.821 336 HE1 PHE 43 1HE PHE 43 10.384 4.087 3.416 337 HE2 PHE 43 2HE PHE 43 13.351 5.307 0.609 338 HZ PHE 43 HZ PHE 43 12.745 4.215 2.732 339 H TRP 44 H TRP 44 6.442 4.611 -1.082 340 HA TRP 44 HA TRP 44 7.287 2.055 -0.183 341 1HB TRP 44 2HB TRP 44 5.147 3.240 0.494 342 2HB TRP 44 1HB TRP 44 4.487 2.787 -1.074 343 HD1 TRP 44 HD TRP 44 5.482 1.291 2.311 344 HE1 TRP 44 1HE TRP 44 4.481 -1.073 2.505 345 HE3 TRP 44 3HE TRP 44 3.735 0.762 -2.469 346 HZ2 TRP 44 2HZ TRP 44 3.140 -2.921 0.842 347 HZ3 TRP 44 3HZ TRP 44 2.610 -1.336 -3.085 348 HH2 TRP 44 HH TRP 44 2.320 -3.141 -1.463 349 H LYS 45 H LYS 45 6.076 3.298 -3.254 350 HA LYS 45 HA LYS 45 5.869 0.827 -4.597 351 1HB LYS 45 2HB LYS 45 6.128 3.672 -5.475 352 2HB LYS 45 1HB LYS 45 6.455 2.416 -6.663 353 1HG LYS 45 2HG LYS 45 4.204 1.430 -6.029 354 2HG LYS 45 1HG LYS 45 3.900 2.941 -5.171 355 1HD LYS 45 2HD LYS 45 3.727 4.163 -7.102 356 2HD LYS 45 1HD LYS 45 4.837 3.119 -7.992 357 1HE LYS 45 2HE LYS 45 1.992 2.449 -7.230 358 2HE LYS 45 1HE LYS 45 2.551 2.906 -8.837 359 1HZ LYS 45 1HZ LYS 45 2.291 0.478 -8.527 360 2HZ LYS 45 2HZ LYS 45 3.517 0.509 -7.361 361 3HZ LYS 45 3HZ LYS 45 3.861 0.926 -8.967 362 H ALA 46 H ALA 46 8.581 2.784 -3.718 363 HA ALA 46 HA ALA 46 10.498 1.639 -5.436 364 1HB ALA 46 1HB ALA 46 10.913 3.683 -4.124 365 2HB ALA 46 2HB ALA 46 12.164 2.466 -3.870 366 3HB ALA 46 3HB ALA 46 10.922 2.719 -2.645 367 H CYS 47 H CYS 47 8.970 0.489 -2.490 368 HA CYS 47 HA CYS 47 10.941 -1.501 -1.912 369 1HB CYS 47 2HB CYS 47 9.534 -2.253 -0.173 370 2HB CYS 47 1HB CYS 47 9.268 -0.517 -0.246 371 HG CYS 47 HG CYS 47 6.724 -0.589 -0.651 372 H GLU 48 H GLU 48 7.725 -1.583 -3.458 373 HA GLU 48 HA GLU 48 7.625 -4.357 -3.863 374 1HB GLU 48 2HB GLU 48 5.859 -3.949 -5.468 375 2HB GLU 48 1HB GLU 48 5.661 -2.858 -4.106 376 1HG GLU 48 2HG GLU 48 6.540 -1.016 -5.387 377 2HG GLU 48 1HG GLU 48 6.924 -2.085 -6.733 378 H ARG 49 H ARG 49 9.376 -1.889 -5.507 379 HA ARG 49 HA ARG 49 10.095 -3.649 -7.728 380 1HB ARG 49 2HB ARG 49 9.599 -1.205 -8.069 381 2HB ARG 49 1HB ARG 49 11.048 -0.832 -7.144 382 1HG ARG 49 2HG ARG 49 12.424 -1.951 -8.813 383 2HG ARG 49 1HG ARG 49 10.980 -2.401 -9.722 384 1HD ARG 49 2HD ARG 49 11.950 -0.478 -10.771 385 2HD ARG 49 1HD ARG 49 10.460 0.027 -9.975 386 HE ARG 49 HE ARG 49 13.173 0.506 -8.895 387 1HH1 ARG 49 1HH1 ARG 49 9.843 1.493 -9.346 388 2HH1 ARG 49 2HH1 ARG 49 10.050 3.022 -8.557 389 1HH2 ARG 49 1HH2 ARG 49 13.455 2.533 -7.863 390 2HH2 ARG 49 2HH2 ARG 49 12.110 3.618 -7.718 391 H PHE 50 H PHE 50 11.337 -2.400 -4.738 392 HA PHE 50 HA PHE 50 14.094 -2.930 -5.116 393 1HB PHE 50 2HB PHE 50 12.960 -1.432 -3.369 394 2HB PHE 50 1HB PHE 50 12.617 -2.901 -2.471 395 HD1 PHE 50 1HD PHE 50 13.944 -2.954 -0.594 396 HD2 PHE 50 2HD PHE 50 15.656 -1.689 -4.283 397 HE1 PHE 50 1HE PHE 50 16.138 -2.744 0.497 398 HE2 PHE 50 2HE PHE 50 17.850 -1.483 -3.196 399 HZ PHE 50 HZ PHE 50 18.093 -2.007 -0.805 400 H GLN 51 H GLN 51 11.519 -4.730 -3.446 401 HA GLN 51 HA GLN 51 13.155 -6.989 -2.844 402 1HB GLN 51 2HB GLN 51 11.056 -8.076 -2.154 403 2HB GLN 51 1HB GLN 51 11.199 -6.460 -1.476 404 1HG GLN 51 2HG GLN 51 9.666 -5.599 -3.168 405 2HG GLN 51 1HG GLN 51 9.545 -7.203 -3.886 406 1HE2 GLN 51 1HE2 GLN 51 8.335 -8.790 -2.848 407 2HE2 GLN 51 2HE2 GLN 51 7.244 -8.425 -1.557 408 H GLN 52 H GLN 52 11.640 -5.925 -5.667 409 HA GLN 52 HA GLN 52 10.996 -8.399 -6.897 410 1HB GLN 52 2HB GLN 52 10.070 -6.314 -7.728 411 2HB GLN 52 1HB GLN 52 11.676 -5.695 -8.078 412 1HG GLN 52 2HG GLN 52 11.966 -7.397 -9.805 413 2HG GLN 52 1HG GLN 52 10.366 -8.043 -9.442 414 1HE2 GLN 52 1HE2 GLN 52 12.138 -5.386 -10.835 415 2HE2 GLN 52 2HE2 GLN 52 10.799 -4.673 -11.667 416 H ILE 53 H ILE 53 13.912 -6.548 -6.522 417 HA ILE 53 HA ILE 53 15.457 -8.108 -8.400 418 HB ILE 53 HB ILE 53 16.392 -6.127 -6.300 419 1HG1 ILE 53 2HG1 ILE 53 15.843 -5.644 -9.248 420 2HG1 ILE 53 1HG1 ILE 53 14.726 -5.216 -7.958 421 1HG2 ILE 53 1HG2 ILE 53 18.413 -5.937 -7.691 422 2HG2 ILE 53 2HG2 ILE 53 17.783 -7.174 -8.779 423 3HG2 ILE 53 3HG2 ILE 53 18.186 -7.588 -7.113 424 1HD1 ILE 53 1HD1 ILE 53 16.408 -3.685 -7.036 425 2HD1 ILE 53 2HD1 ILE 53 15.958 -3.275 -8.690 426 3HD1 ILE 53 3HD1 ILE 53 17.487 -4.094 -8.368 427 HA PRO 54 HA PRO 54 16.002 -11.209 -5.253 428 1HB PRO 54 2HB PRO 54 17.275 -13.002 -7.002 429 2HB PRO 54 1HB PRO 54 15.535 -12.824 -6.784 430 1HG PRO 54 2HG PRO 54 17.020 -12.206 -9.113 431 2HG PRO 54 1HG PRO 54 15.320 -11.819 -8.804 432 1HD PRO 54 2HD PRO 54 17.739 -10.097 -8.529 433 2HD PRO 54 1HD PRO 54 16.084 -9.655 -8.987 434 H ALA 55 H ALA 55 18.180 -9.135 -5.696 435 HA ALA 55 HA ALA 55 20.314 -8.713 -5.054 436 1HB ALA 55 1HB ALA 55 19.654 -9.866 -2.981 437 2HB ALA 55 2HB ALA 55 21.350 -10.141 -3.374 438 3HB ALA 55 3HB ALA 55 20.159 -11.403 -3.684 439 H SER 56 H SER 56 22.568 -10.255 -4.836 440 HA SER 56 HA SER 56 24.118 -11.569 -5.835 441 1HB SER 56 2HB SER 56 22.280 -13.221 -6.259 442 2HB SER 56 1HB SER 56 21.986 -12.433 -7.809 443 HG SER 56 HG SER 56 24.600 -12.977 -7.586 444 H ASP 57 H ASP 57 22.047 -9.550 -7.815 445 HA ASP 57 HA ASP 57 24.254 -8.959 -9.634 446 1HB ASP 57 2HB ASP 57 21.695 -9.115 -10.268 447 2HB ASP 57 1HB ASP 57 21.630 -7.476 -9.635 448 H THR 58 H THR 58 25.593 -8.163 -7.881 449 HA THR 58 HA THR 58 24.862 -6.168 -6.077 450 HB THR 58 HB THR 58 27.653 -6.665 -7.148 451 HG1 THR 58 1HG THR 58 27.752 -8.365 -5.783 452 1HG2 THR 58 1HG2 THR 58 26.692 -5.602 -4.477 453 2HG2 THR 58 2HG2 THR 58 27.448 -4.645 -5.752 454 3HG2 THR 58 3HG2 THR 58 28.371 -5.902 -4.926 455 H GLN 59 H GLN 59 26.015 -5.944 -9.377 456 HA GLN 59 HA GLN 59 26.566 -3.200 -9.505 457 1HB GLN 59 2HB GLN 59 27.129 -4.696 -11.338 458 2HB GLN 59 1HB GLN 59 25.430 -5.057 -11.611 459 1HG GLN 59 2HG GLN 59 25.066 -2.678 -12.220 460 2HG GLN 59 1HG GLN 59 26.800 -2.405 -12.049 461 1HE2 GLN 59 1HE2 GLN 59 28.205 -3.252 -13.583 462 2HE2 GLN 59 2HE2 GLN 59 27.656 -3.852 -15.111 463 H GLN 60 H GLN 60 23.548 -4.926 -10.295 464 HA GLN 60 HA GLN 60 21.910 -2.693 -10.682 465 1HB GLN 60 2HB GLN 60 21.141 -4.844 -11.393 466 2HB GLN 60 1HB GLN 60 21.308 -5.514 -9.779 467 1HG GLN 60 2HG GLN 60 18.968 -5.169 -10.412 468 2HG GLN 60 1HG GLN 60 19.422 -4.227 -8.996 469 1HE2 GLN 60 1HE2 GLN 60 19.335 -2.034 -9.074 470 2HE2 GLN 60 2HE2 GLN 60 18.707 -1.142 -10.423 471 H LEU 61 H LEU 61 22.509 -4.615 -7.756 472 HA LEU 61 HA LEU 61 20.769 -3.341 -6.026 473 1HB LEU 61 2HB LEU 61 23.459 -4.576 -5.446 474 2HB LEU 61 1HB LEU 61 22.320 -4.087 -4.205 475 HG LEU 61 HG LEU 61 21.863 -6.229 -6.293 476 1HD1 LEU 61 1HD1 LEU 61 21.894 -7.769 -4.397 477 2HD1 LEU 61 2HD1 LEU 61 22.268 -6.431 -3.308 478 3HD1 LEU 61 3HD1 LEU 61 23.426 -6.908 -4.550 479 1HD2 LEU 61 1HD2 LEU 61 19.782 -5.060 -5.774 480 2HD2 LEU 61 2HD2 LEU 61 20.063 -5.303 -4.049 481 3HD2 LEU 61 3HD2 LEU 61 19.772 -6.690 -5.100 482 H ALA 62 H ALA 62 24.086 -2.439 -6.873 483 HA ALA 62 HA ALA 62 24.291 -0.246 -5.112 484 1HB ALA 62 1HB ALA 62 26.243 -1.216 -6.204 485 2HB ALA 62 2HB ALA 62 26.124 0.507 -6.567 486 3HB ALA 62 3HB ALA 62 25.646 -0.686 -7.775 487 H GLN 63 H GLN 63 22.797 -0.662 -8.227 488 HA GLN 63 HA GLN 63 22.604 2.121 -8.856 489 1HB GLN 63 2HB GLN 63 21.273 -0.308 -10.065 490 2HB GLN 63 1HB GLN 63 21.090 1.324 -10.696 491 1HG GLN 63 2HG GLN 63 23.684 -0.199 -10.472 492 2HG GLN 63 1HG GLN 63 22.755 0.056 -11.949 493 1HE2 GLN 63 1HE2 GLN 63 22.726 2.099 -12.896 494 2HE2 GLN 63 2HE2 GLN 63 23.874 3.325 -12.480 495 H GLU 64 H GLU 64 20.056 -0.306 -7.998 496 HA GLU 64 HA GLU 64 18.070 1.745 -8.023 497 1HB GLU 64 2HB GLU 64 16.493 0.103 -7.722 498 2HB GLU 64 1HB GLU 64 17.806 -0.863 -8.352 499 1HG GLU 64 2HG GLU 64 17.258 -0.550 -5.412 500 2HG GLU 64 1HG GLU 64 16.534 -1.814 -6.402 501 H ALA 65 H ALA 65 19.882 0.127 -5.446 502 HA ALA 65 HA ALA 65 18.633 1.330 -3.251 503 1HB ALA 65 1HB ALA 65 20.257 -0.494 -3.034 504 2HB ALA 65 2HB ALA 65 20.696 0.879 -2.018 505 3HB ALA 65 3HB ALA 65 21.552 0.593 -3.534 506 H ARG 66 H ARG 66 21.366 2.462 -5.235 507 HA ARG 66 HA ARG 66 21.746 4.887 -3.810 508 1HB ARG 66 2HB ARG 66 23.511 3.972 -5.187 509 2HB ARG 66 1HB ARG 66 22.516 4.098 -6.627 510 1HG ARG 66 2HG ARG 66 22.709 6.431 -6.702 511 2HG ARG 66 1HG ARG 66 23.261 6.529 -5.030 512 1HD ARG 66 2HD ARG 66 25.058 6.894 -6.715 513 2HD ARG 66 1HD ARG 66 25.379 5.572 -5.596 514 HE ARG 66 HE ARG 66 24.164 4.513 -7.889 515 1HH1 ARG 66 1HH1 ARG 66 27.159 6.071 -6.961 516 2HH1 ARG 66 2HH1 ARG 66 28.108 5.237 -8.152 517 1HH2 ARG 66 1HH2 ARG 66 25.421 3.410 -9.465 518 2HH2 ARG 66 2HH2 ARG 66 27.122 3.740 -9.578 519 H ASN 67 H ASN 67 19.694 3.968 -6.497 520 HA ASN 67 HA ASN 67 18.831 6.527 -7.289 521 1HB ASN 67 2HB ASN 67 17.406 3.856 -7.374 522 2HB ASN 67 1HB ASN 67 16.734 5.325 -8.071 523 1HD2 ASN 67 1HD2 ASN 67 19.327 6.310 -8.996 524 2HD2 ASN 67 2HD2 ASN 67 19.736 5.339 -10.363 525 H ILE 68 H ILE 68 17.330 4.209 -5.035 526 HA ILE 68 HA ILE 68 15.259 5.870 -4.138 527 HB ILE 68 HB ILE 68 16.669 3.622 -2.669 528 1HG1 ILE 68 2HG1 ILE 68 14.106 3.639 -4.298 529 2HG1 ILE 68 1HG1 ILE 68 15.637 2.941 -4.808 530 1HG2 ILE 68 1HG2 ILE 68 14.657 3.495 -1.264 531 2HG2 ILE 68 2HG2 ILE 68 14.010 4.924 -2.071 532 3HG2 ILE 68 3HG2 ILE 68 15.473 5.050 -1.094 533 1HD1 ILE 68 1HD1 ILE 68 14.027 1.260 -4.041 534 2HD1 ILE 68 2HD1 ILE 68 14.015 2.009 -2.445 535 3HD1 ILE 68 3HD1 ILE 68 15.493 1.272 -3.065 536 H TYR 69 H TYR 69 18.582 5.477 -3.031 537 HA TYR 69 HA TYR 69 18.487 7.006 -0.704 538 1HB TYR 69 2HB TYR 69 20.445 5.660 -1.296 539 2HB TYR 69 1HB TYR 69 20.776 6.703 -2.673 540 HD1 TYR 69 1HD TYR 69 20.920 6.421 0.995 541 HD2 TYR 69 2HD TYR 69 21.809 8.888 -2.363 542 HE1 TYR 69 1HE TYR 69 22.365 7.823 2.410 543 HE2 TYR 69 2HE TYR 69 23.247 10.295 -0.956 544 HH TYR 69 HH TYR 69 23.589 10.852 1.369 545 H GLN 70 H GLN 70 19.565 8.100 -3.933 546 HA GLN 70 HA GLN 70 19.714 10.830 -3.101 547 1HB GLN 70 2HB GLN 70 19.839 9.580 -5.853 548 2HB GLN 70 1HB GLN 70 20.164 11.276 -5.517 549 1HG GLN 70 2HG GLN 70 22.044 10.628 -4.082 550 2HG GLN 70 1HG GLN 70 21.720 8.930 -4.435 551 1HE2 GLN 70 1HE2 GLN 70 22.872 11.960 -5.725 552 2HE2 GLN 70 2HE2 GLN 70 23.627 11.299 -7.131 553 H GLU 71 H GLU 71 17.024 9.031 -3.694 554 HA GLU 71 HA GLU 71 15.605 11.218 -5.052 555 1HB GLU 71 2HB GLU 71 15.680 8.946 -6.145 556 2HB GLU 71 1HB GLU 71 14.714 8.341 -4.810 557 1HG GLU 71 2HG GLU 71 12.860 9.712 -5.431 558 2HG GLU 71 1HG GLU 71 13.830 10.580 -6.623 559 H PHE 72 H PHE 72 15.557 9.152 -2.216 560 HA PHE 72 HA PHE 72 13.339 10.785 -1.141 561 1HB PHE 72 2HB PHE 72 13.740 7.820 -0.660 562 2HB PHE 72 1HB PHE 72 12.447 8.815 -0.003 563 HD1 PHE 72 1HD PHE 72 10.798 9.866 -1.640 564 HD2 PHE 72 2HD PHE 72 13.508 6.761 -2.726 565 HE1 PHE 72 1HE PHE 72 9.397 9.325 -3.588 566 HE2 PHE 72 2HE PHE 72 12.110 6.221 -4.672 567 HZ PHE 72 HZ PHE 72 10.056 7.502 -5.105 568 H LEU 73 H LEU 73 16.281 8.975 -0.512 569 HA LEU 73 HA LEU 73 16.087 9.402 2.359 570 1HB LEU 73 2HB LEU 73 18.234 8.002 0.760 571 2HB LEU 73 1HB LEU 73 18.029 7.940 2.502 572 HG LEU 73 HG LEU 73 16.045 6.849 0.492 573 1HD1 LEU 73 1HD1 LEU 73 16.788 4.641 1.221 574 2HD1 LEU 73 2HD1 LEU 73 18.019 5.385 2.243 575 3HD1 LEU 73 3HD1 LEU 73 18.110 5.550 0.490 576 1HD2 LEU 73 1HD2 LEU 73 14.979 7.566 2.557 577 2HD2 LEU 73 2HD2 LEU 73 16.139 6.630 3.500 578 3HD2 LEU 73 3HD2 LEU 73 14.992 5.807 2.443 579 H SER 74 H SER 74 17.635 10.881 -0.349 580 HA SER 74 HA SER 74 19.881 11.947 1.064 581 1HB SER 74 2HB SER 74 20.028 13.469 -0.970 582 2HB SER 74 1HB SER 74 20.080 11.740 -1.306 583 HG SER 74 HG SER 74 18.638 13.016 -2.666 584 H SER 75 H SER 75 20.208 14.357 1.307 585 HA SER 75 HA SER 75 18.231 15.384 3.045 586 1HB SER 75 2HB SER 75 20.623 15.946 3.274 587 2HB SER 75 1HB SER 75 20.568 16.819 1.743 588 HG SER 75 HG SER 75 19.975 17.711 4.176 589 H GLN 76 H GLN 76 19.307 16.487 -0.165 590 HA GLN 76 HA GLN 76 16.862 18.096 -0.441 591 1HB GLN 76 2HB GLN 76 19.137 19.138 -0.817 592 2HB GLN 76 1HB GLN 76 19.323 18.086 -2.214 593 1HG GLN 76 2HG GLN 76 17.300 19.115 -3.209 594 2HG GLN 76 1HG GLN 76 17.225 20.219 -1.836 595 1HE2 GLN 76 1HE2 GLN 76 18.933 19.349 -4.732 596 2HE2 GLN 76 2HE2 GLN 76 19.896 20.785 -4.842 597 H ALA 77 H ALA 77 16.455 15.439 -0.526 598 HA ALA 77 HA ALA 77 16.630 14.111 -2.968 599 1HB ALA 77 1HB ALA 77 14.533 13.830 -0.814 600 2HB ALA 77 2HB ALA 77 16.089 13.002 -0.868 601 3HB ALA 77 3HB ALA 77 14.865 12.656 -2.088 602 H LEU 78 H LEU 78 14.877 13.537 -4.454 603 HA LEU 78 HA LEU 78 13.580 15.730 -5.624 604 1HB LEU 78 2HB LEU 78 13.062 12.759 -5.861 605 2HB LEU 78 1HB LEU 78 12.193 13.949 -6.809 606 HG LEU 78 HG LEU 78 14.354 14.681 -7.813 607 1HD1 LEU 78 1HD1 LEU 78 15.873 13.997 -6.038 608 2HD1 LEU 78 2HD1 LEU 78 16.332 13.263 -7.573 609 3HD1 LEU 78 3HD1 LEU 78 15.499 12.303 -6.350 610 1HD2 LEU 78 1HD2 LEU 78 14.618 12.732 -9.275 611 2HD2 LEU 78 2HD2 LEU 78 12.917 13.086 -8.972 612 3HD2 LEU 78 3HD2 LEU 78 13.702 11.747 -8.133 613 H SER 79 H SER 79 12.422 13.201 -3.467 614 HA SER 79 HA SER 79 10.432 15.056 -2.413 615 1HB SER 79 2HB SER 79 8.751 13.161 -2.337 616 2HB SER 79 1HB SER 79 9.103 13.769 -3.954 617 HG SER 79 HG SER 79 10.366 11.505 -2.792 618 HA PRO 80 HA PRO 80 13.045 13.105 0.814 619 1HB PRO 80 2HB PRO 80 12.832 15.201 2.569 620 2HB PRO 80 1HB PRO 80 14.035 15.122 1.278 621 1HG PRO 80 2HG PRO 80 11.419 16.577 1.342 622 2HG PRO 80 1HG PRO 80 12.987 17.114 0.707 623 1HD PRO 80 2HD PRO 80 11.005 16.212 -0.901 624 2HD PRO 80 1HD PRO 80 12.721 15.953 -1.278 625 H VAL 81 H VAL 81 11.750 11.496 1.503 626 HA VAL 81 HA VAL 81 9.136 11.730 2.470 627 HB VAL 81 HB VAL 81 9.513 9.435 3.433 628 1HG1 VAL 81 1HG1 VAL 81 9.773 8.352 1.244 629 2HG1 VAL 81 2HG1 VAL 81 10.363 9.868 0.562 630 3HG1 VAL 81 3HG1 VAL 81 8.703 9.750 1.148 631 1HG2 VAL 81 1HG2 VAL 81 11.885 9.657 3.987 632 2HG2 VAL 81 2HG2 VAL 81 12.283 9.810 2.275 633 3HG2 VAL 81 3HG2 VAL 81 11.624 8.296 2.895 634 H ASN 82 H ASN 82 12.083 12.480 4.005 635 HA ASN 82 HA ASN 82 12.505 13.562 5.954 636 1HB ASN 82 2HB ASN 82 10.364 14.747 5.385 637 2HB ASN 82 1HB ASN 82 9.502 13.578 6.380 638 1HD2 ASN 82 1HD2 ASN 82 8.761 15.051 7.854 639 2HD2 ASN 82 2HD2 ASN 82 9.791 15.889 8.962 640 H ILE 83 H ILE 83 11.954 10.552 5.778 641 HA ILE 83 HA ILE 83 11.138 9.708 8.373 642 HB ILE 83 HB ILE 83 12.160 7.528 7.764 643 1HG1 ILE 83 2HG1 ILE 83 13.048 9.029 5.279 644 2HG1 ILE 83 1HG1 ILE 83 14.091 8.314 6.503 645 1HG2 ILE 83 1HG2 ILE 83 10.464 8.751 5.586 646 2HG2 ILE 83 2HG2 ILE 83 9.871 8.047 7.091 647 3HG2 ILE 83 3HG2 ILE 83 10.668 7.025 5.893 648 1HD1 ILE 83 1HD1 ILE 83 13.277 6.090 5.869 649 2HD1 ILE 83 2HD1 ILE 83 14.035 6.941 4.525 650 3HD1 ILE 83 3HD1 ILE 83 12.278 6.828 4.618 651 H ASP 84 H ASP 84 13.098 7.983 9.264 652 HA ASP 84 HA ASP 84 14.806 9.784 10.662 653 1HB ASP 84 2HB ASP 84 15.792 7.659 11.631 654 2HB ASP 84 1HB ASP 84 14.064 7.875 11.876 655 H ARG 85 H ARG 85 15.869 10.780 8.874 656 HA ARG 85 HA ARG 85 17.878 9.232 7.444 657 1HB ARG 85 2HB ARG 85 17.214 12.187 7.374 658 2HB ARG 85 1HB ARG 85 18.399 11.400 6.341 659 1HG ARG 85 2HG ARG 85 16.624 10.044 5.337 660 2HG ARG 85 1HG ARG 85 15.434 10.829 6.378 661 1HD ARG 85 2HD ARG 85 17.163 12.206 4.314 662 2HD ARG 85 1HD ARG 85 15.456 11.806 4.125 663 HE ARG 85 HE ARG 85 15.670 13.338 6.431 664 1HH1 ARG 85 1HH1 ARG 85 16.311 13.775 3.005 665 2HH1 ARG 85 2HH1 ARG 85 15.965 15.475 3.034 666 1HH2 ARG 85 1HH2 ARG 85 15.209 15.555 6.465 667 2HH2 ARG 85 2HH2 ARG 85 15.320 16.483 5.007 668 H GLN 86 H GLN 86 17.654 11.776 9.882 669 HA GLN 86 HA GLN 86 20.406 12.267 10.204 670 1HB GLN 86 2HB GLN 86 18.188 12.526 12.253 671 2HB GLN 86 1HB GLN 86 19.774 13.279 12.360 672 1HG GLN 86 2HG GLN 86 19.296 14.606 10.369 673 2HG GLN 86 1HG GLN 86 17.717 13.835 10.224 674 1HE2 GLN 86 1HE2 GLN 86 18.408 16.656 10.561 675 2HE2 GLN 86 2HE2 GLN 86 17.578 17.180 11.985 676 H ALA 87 H ALA 87 18.376 9.709 11.295 677 HA ALA 87 HA ALA 87 20.588 8.559 12.884 678 1HB ALA 87 1HB ALA 87 17.612 8.130 13.238 679 2HB ALA 87 2HB ALA 87 18.638 9.128 14.269 680 3HB ALA 87 3HB ALA 87 18.888 7.383 14.200 681 H TRP 88 H TRP 88 20.081 8.387 9.995 682 HA TRP 88 HA TRP 88 18.997 5.743 9.527 683 1HB TRP 88 2HB TRP 88 18.632 7.714 7.984 684 2HB TRP 88 1HB TRP 88 20.326 7.585 7.525 685 HD1 TRP 88 HD TRP 88 17.293 5.158 7.669 686 HE1 TRP 88 1HE TRP 88 17.365 3.679 5.565 687 HE3 TRP 88 3HE TRP 88 21.533 7.029 5.514 688 HZ2 TRP 88 2HZ TRP 88 18.995 3.368 3.292 689 HZ3 TRP 88 3HZ TRP 88 22.278 6.085 3.368 690 HH2 TRP 88 HH TRP 88 21.033 4.289 2.280 691 H LEU 89 H LEU 89 20.262 4.269 8.042 692 HA LEU 89 HA LEU 89 22.465 3.225 9.349 693 1HB LEU 89 2HB LEU 89 21.886 2.911 6.400 694 2HB LEU 89 1HB LEU 89 22.745 1.784 7.434 695 HG LEU 89 HG LEU 89 19.797 2.452 7.619 696 1HD1 LEU 89 1HD1 LEU 89 21.175 -0.059 6.659 697 2HD1 LEU 89 2HD1 LEU 89 20.346 1.122 5.644 698 3HD1 LEU 89 3HD1 LEU 89 19.434 0.179 6.822 699 1HD2 LEU 89 1HD2 LEU 89 19.694 0.621 9.249 700 2HD2 LEU 89 2HD2 LEU 89 20.720 1.938 9.811 701 3HD2 LEU 89 3HD2 LEU 89 21.449 0.462 9.181 702 H GLY 90 H GLY 90 22.561 4.805 6.149 703 1HA GLY 90 2HA GLY 90 23.979 6.813 5.959 704 2HA GLY 90 1HA GLY 90 25.177 5.953 6.910 705 H GLU 91 H GLU 91 26.519 6.617 5.122 706 HA GLU 91 HA GLU 91 26.313 5.867 2.476 707 1HB GLU 91 2HB GLU 91 28.816 6.106 2.448 708 2HB GLU 91 1HB GLU 91 27.953 7.463 3.163 709 1HG GLU 91 2HG GLU 91 28.434 6.548 5.408 710 2HG GLU 91 1HG GLU 91 29.375 5.262 4.654 711 H GLU 92 H GLU 92 26.857 3.789 5.139 712 HA GLU 92 HA GLU 92 28.555 1.851 4.047 713 1HB GLU 92 2HB GLU 92 27.614 0.338 5.763 714 2HB GLU 92 1HB GLU 92 28.047 1.908 6.427 715 1HG GLU 92 2HG GLU 92 25.677 2.584 6.321 716 2HG GLU 92 1HG GLU 92 25.265 0.976 5.726 717 H VAL 93 H VAL 93 25.196 2.533 3.620 718 HA VAL 93 HA VAL 93 24.413 0.067 2.486 719 HB VAL 93 HB VAL 93 23.200 2.821 2.168 720 1HG1 VAL 93 1HG1 VAL 93 22.497 1.387 0.331 721 2HG1 VAL 93 2HG1 VAL 93 21.158 1.649 1.447 722 3HG1 VAL 93 3HG1 VAL 93 22.035 0.120 1.469 723 1HG2 VAL 93 1HG2 VAL 93 23.227 2.057 4.482 724 2HG2 VAL 93 2HG2 VAL 93 22.474 0.534 4.008 725 3HG2 VAL 93 3HG2 VAL 93 21.579 2.046 3.853 726 H LEU 94 H LEU 94 25.661 3.075 1.156 727 HA LEU 94 HA LEU 94 25.267 2.359 -1.583 728 1HB LEU 94 2HB LEU 94 26.997 4.479 -0.294 729 2HB LEU 94 1HB LEU 94 26.814 4.296 -2.028 730 HG LEU 94 HG LEU 94 25.390 6.081 -1.358 731 1HD1 LEU 94 1HD1 LEU 94 23.183 5.296 -2.017 732 2HD1 LEU 94 2HD1 LEU 94 23.680 3.626 -1.747 733 3HD1 LEU 94 3HD1 LEU 94 24.438 4.577 -3.026 734 1HD2 LEU 94 1HD2 LEU 94 25.248 5.625 1.026 735 2HD2 LEU 94 2HD2 LEU 94 24.214 4.229 0.719 736 3HD2 LEU 94 3HD2 LEU 94 23.638 5.854 0.344 737 H ALA 95 H ALA 95 27.659 1.734 0.794 738 HA ALA 95 HA ALA 95 29.744 0.959 -1.021 739 1HB ALA 95 1HB ALA 95 29.403 0.348 1.923 740 2HB ALA 95 2HB ALA 95 30.269 1.729 1.248 741 3HB ALA 95 3HB ALA 95 30.870 0.094 0.977 742 H GLU 96 H GLU 96 27.398 -0.764 1.029 743 HA GLU 96 HA GLU 96 27.703 -3.136 -0.685 744 1HB GLU 96 2HB GLU 96 27.557 -3.207 2.340 745 2HB GLU 96 1HB GLU 96 27.682 -4.598 1.267 746 1HG GLU 96 2HG GLU 96 29.888 -3.789 0.516 747 2HG GLU 96 1HG GLU 96 29.763 -2.447 1.650 748 HA PRO 97 HA PRO 97 23.276 -2.211 -0.298 749 1HB PRO 97 2HB PRO 97 22.608 -2.656 -2.843 750 2HB PRO 97 1HB PRO 97 23.534 -1.222 -2.379 751 1HG PRO 97 2HG PRO 97 24.477 -3.761 -3.648 752 2HG PRO 97 1HG PRO 97 24.986 -2.093 -3.964 753 1HD PRO 97 2HD PRO 97 26.330 -3.929 -2.337 754 2HD PRO 97 1HD PRO 97 26.573 -2.171 -2.332 755 H ARG 98 H ARG 98 21.284 -3.438 -0.859 756 HA ARG 98 HA ARG 98 21.313 -6.219 -1.397 757 1HB ARG 98 2HB ARG 98 20.627 -7.004 0.874 758 2HB ARG 98 1HB ARG 98 22.289 -6.429 0.818 759 1HG ARG 98 2HG ARG 98 21.458 -4.233 1.711 760 2HG ARG 98 1HG ARG 98 19.892 -5.001 1.950 761 1HD ARG 98 2HD ARG 98 22.424 -6.123 3.128 762 2HD ARG 98 1HD ARG 98 21.462 -4.900 3.958 763 HE ARG 98 HE ARG 98 19.748 -6.978 3.226 764 1HH1 ARG 98 1HH1 ARG 98 22.523 -6.517 5.312 765 2HH1 ARG 98 2HH1 ARG 98 21.961 -7.636 6.516 766 1HH2 ARG 98 1HH2 ARG 98 19.002 -8.437 4.799 767 2HH2 ARG 98 2HH2 ARG 98 19.961 -8.741 6.217 768 HA PRO 99 HA PRO 99 17.296 -4.907 -2.420 769 1HB PRO 99 2HB PRO 99 16.030 -7.230 -2.866 770 2HB PRO 99 1HB PRO 99 17.409 -6.729 -3.853 771 1HG PRO 99 2HG PRO 99 17.348 -8.616 -1.515 772 2HG PRO 99 1HG PRO 99 18.120 -8.831 -3.099 773 1HD PRO 99 2HD PRO 99 19.493 -8.024 -0.894 774 2HD PRO 99 1HD PRO 99 19.931 -7.509 -2.536 775 H ASP 100 H ASP 100 17.810 -5.700 0.622 776 HA ASP 100 HA ASP 100 14.958 -5.470 1.337 777 1HB ASP 100 2HB ASP 100 15.205 -7.072 3.148 778 2HB ASP 100 1HB ASP 100 15.688 -7.840 1.639 779 H MET 101 H MET 101 17.699 -3.915 1.288 780 HA MET 101 HA MET 101 18.509 -3.438 3.924 781 1HB MET 101 2HB MET 101 19.814 -2.932 1.845 782 2HB MET 101 1HB MET 101 18.773 -1.546 1.582 783 1HG MET 101 2HG MET 101 20.680 -0.649 2.562 784 2HG MET 101 1HG MET 101 19.530 -0.751 3.890 785 1HE MET 101 1HE MET 101 20.976 -3.467 6.200 786 2HE MET 101 2HE MET 101 19.557 -3.524 5.155 787 3HE MET 101 3HE MET 101 19.920 -2.059 6.068 788 H PHE 102 H PHE 102 15.929 -1.969 2.060 789 HA PHE 102 HA PHE 102 15.755 0.245 4.000 790 1HB PHE 102 2HB PHE 102 14.547 0.081 1.227 791 2HB PHE 102 1HB PHE 102 14.561 1.491 2.280 792 HD1 PHE 102 1HD PHE 102 17.393 1.303 3.268 793 HD2 PHE 102 2HD PHE 102 15.740 0.882 -0.636 794 HE1 PHE 102 1HE PHE 102 19.531 2.009 2.285 795 HE2 PHE 102 2HE PHE 102 17.884 1.591 -1.618 796 HZ PHE 102 HZ PHE 102 19.778 2.154 -0.158 797 H ARG 103 H ARG 103 14.450 -2.641 3.986 798 HA ARG 103 HA ARG 103 11.688 -2.321 3.606 799 1HB ARG 103 2HB ARG 103 13.208 -4.255 5.361 800 2HB ARG 103 1HB ARG 103 11.460 -4.315 5.164 801 1HG ARG 103 2HG ARG 103 11.862 -4.530 2.679 802 2HG ARG 103 1HG ARG 103 13.571 -4.754 3.060 803 1HD ARG 103 2HD ARG 103 11.298 -6.469 4.080 804 2HD ARG 103 1HD ARG 103 12.391 -6.896 2.764 805 HE ARG 103 HE ARG 103 14.061 -6.396 4.856 806 1HH1 ARG 103 1HH1 ARG 103 11.267 -8.488 4.464 807 2HH1 ARG 103 2HH1 ARG 103 11.868 -9.694 5.551 808 1HH2 ARG 103 1HH2 ARG 103 14.852 -7.993 6.262 809 2HH2 ARG 103 2HH2 ARG 103 13.910 -9.421 6.571 810 H ALA 104 H ALA 104 13.660 -1.850 6.506 811 HA ALA 104 HA ALA 104 11.634 -1.440 8.370 812 1HB ALA 104 1HB ALA 104 13.999 -1.695 8.967 813 2HB ALA 104 2HB ALA 104 13.305 -0.247 9.696 814 3HB ALA 104 3HB ALA 104 14.347 -0.109 8.279 815 H GLN 105 H GLN 105 13.389 1.016 6.475 816 HA GLN 105 HA GLN 105 11.889 3.228 7.356 817 1HB GLN 105 2HB GLN 105 13.521 2.790 4.846 818 2HB GLN 105 1HB GLN 105 12.757 4.324 5.226 819 1HG GLN 105 2HG GLN 105 15.039 4.466 5.873 820 2HG GLN 105 1HG GLN 105 14.072 4.391 7.342 821 1HE2 GLN 105 1HE2 GLN 105 14.236 2.602 8.674 822 2HE2 GLN 105 2HE2 GLN 105 15.488 1.422 8.495 823 H GLN 106 H GLN 106 11.387 0.933 4.758 824 HA GLN 106 HA GLN 106 9.429 2.285 3.288 825 1HB GLN 106 2HB GLN 106 9.974 -0.655 3.705 826 2HB GLN 106 1HB GLN 106 8.693 -0.087 2.641 827 1HG GLN 106 2HG GLN 106 11.606 0.635 2.359 828 2HG GLN 106 1HG GLN 106 10.785 -0.632 1.448 829 1HE2 GLN 106 1HE2 GLN 106 12.098 1.793 0.475 830 2HE2 GLN 106 2HE2 GLN 106 10.889 2.663 -0.401 831 H LEU 107 H LEU 107 9.067 0.016 6.005 832 HA LEU 107 HA LEU 107 6.229 0.184 6.024 833 1HB LEU 107 2HB LEU 107 8.263 -0.944 7.910 834 2HB LEU 107 1HB LEU 107 6.601 -0.771 8.440 835 HG LEU 107 HG LEU 107 6.987 -3.030 7.642 836 1HD1 LEU 107 1HD1 LEU 107 5.192 -3.205 6.002 837 2HD1 LEU 107 2HD1 LEU 107 5.276 -1.468 5.711 838 3HD1 LEU 107 3HD1 LEU 107 4.775 -2.074 7.289 839 1HD2 LEU 107 1HD2 LEU 107 7.750 -1.776 5.003 840 2HD2 LEU 107 2HD2 LEU 107 7.548 -3.503 5.306 841 3HD2 LEU 107 3HD2 LEU 107 8.837 -2.611 6.114 842 H GLN 108 H GLN 108 8.746 2.120 7.465 843 HA GLN 108 HA GLN 108 7.237 3.456 9.420 844 1HB GLN 108 2HB GLN 108 9.665 3.751 9.244 845 2HB GLN 108 1HB GLN 108 9.478 4.535 7.681 846 1HG GLN 108 2HG GLN 108 9.889 6.162 9.445 847 2HG GLN 108 1HG GLN 108 8.296 6.391 8.725 848 1HE2 GLN 108 1HE2 GLN 108 7.440 7.441 10.496 849 2HE2 GLN 108 2HE2 GLN 108 7.110 6.646 11.994 850 H ILE 109 H ILE 109 7.842 4.321 6.029 851 HA ILE 109 HA ILE 109 6.037 6.486 5.916 852 HB ILE 109 HB ILE 109 7.298 4.732 3.820 853 1HG1 ILE 109 2HG1 ILE 109 8.702 6.419 4.923 854 2HG1 ILE 109 1HG1 ILE 109 8.466 6.816 3.224 855 1HG2 ILE 109 1HG2 ILE 109 5.118 5.263 2.915 856 2HG2 ILE 109 2HG2 ILE 109 6.357 6.192 2.074 857 3HG2 ILE 109 3HG2 ILE 109 5.345 6.970 3.291 858 1HD1 ILE 109 1HD1 ILE 109 8.328 8.789 4.640 859 2HD1 ILE 109 2HD1 ILE 109 6.994 8.066 5.536 860 3HD1 ILE 109 3HD1 ILE 109 6.794 8.477 3.832 861 H PHE 110 H PHE 110 5.674 3.044 5.199 862 HA PHE 110 HA PHE 110 3.119 2.996 4.158 863 1HB PHE 110 2HB PHE 110 4.519 1.004 4.272 864 2HB PHE 110 1HB PHE 110 4.437 0.999 6.025 865 HD1 PHE 110 1HD PHE 110 2.399 0.267 7.179 866 HD2 PHE 110 2HD PHE 110 2.682 0.226 2.928 867 HE1 PHE 110 1HE PHE 110 0.416 -1.185 7.058 868 HE2 PHE 110 2HE PHE 110 0.699 -1.220 2.809 869 HZ PHE 110 HZ PHE 110 -0.435 -1.924 4.869 870 H ASN 111 H ASN 111 4.046 2.823 7.603 871 HA ASN 111 HA ASN 111 1.364 2.842 8.553 872 1HB ASN 111 2HB ASN 111 4.018 3.299 9.915 873 2HB ASN 111 1HB ASN 111 2.494 3.457 10.783 874 1HD2 ASN 111 1HD2 ASN 111 4.771 1.273 9.392 875 2HD2 ASN 111 2HD2 ASN 111 4.028 -0.184 9.946 876 H LEU 112 H LEU 112 3.679 5.348 7.796 877 HA LEU 112 HA LEU 112 2.558 7.489 9.201 878 1HB LEU 112 2HB LEU 112 4.754 7.570 8.083 879 2HB LEU 112 1HB LEU 112 3.959 7.532 6.520 880 HG LEU 112 HG LEU 112 2.902 9.723 7.027 881 1HD1 LEU 112 1HD1 LEU 112 4.636 9.651 9.500 882 2HD1 LEU 112 2HD1 LEU 112 2.874 9.587 9.458 883 3HD1 LEU 112 3HD1 LEU 112 3.714 11.042 8.925 884 1HD2 LEU 112 1HD2 LEU 112 4.978 9.631 5.749 885 2HD2 LEU 112 2HD2 LEU 112 5.918 9.687 7.240 886 3HD2 LEU 112 3HD2 LEU 112 4.930 11.070 6.766 887 H MET 113 H MET 113 1.956 6.427 5.856 888 HA MET 113 HA MET 113 -0.251 8.296 5.586 889 1HB MET 113 2HB MET 113 -0.449 7.345 3.285 890 2HB MET 113 1HB MET 113 1.137 8.010 3.648 891 1HG MET 113 2HG MET 113 2.016 5.769 4.009 892 2HG MET 113 1HG MET 113 0.419 5.084 3.702 893 1HE MET 113 1HE MET 113 1.763 3.476 1.921 894 2HE MET 113 2HE MET 113 3.257 4.360 2.228 895 3HE MET 113 3HE MET 113 2.695 4.126 0.572 896 H LYS 114 H LYS 114 0.165 5.101 6.646 897 HA LYS 114 HA LYS 114 -2.119 3.768 5.806 898 1HB LYS 114 2HB LYS 114 -0.272 2.690 7.002 899 2HB LYS 114 1HB LYS 114 -0.681 3.572 8.464 900 1HG LYS 114 2HG LYS 114 -2.822 2.376 8.584 901 2HG LYS 114 1HG LYS 114 -2.403 1.491 7.113 902 1HD LYS 114 2HD LYS 114 -0.521 0.450 8.209 903 2HD LYS 114 1HD LYS 114 -0.750 1.446 9.645 904 1HE LYS 114 2HE LYS 114 -1.615 -0.731 10.112 905 2HE LYS 114 1HE LYS 114 -2.980 0.368 9.950 906 1HZ LYS 114 1HZ LYS 114 -2.018 -1.560 7.903 907 2HZ LYS 114 2HZ LYS 114 -3.274 -0.452 7.668 908 3HZ LYS 114 3HZ LYS 114 -3.437 -1.676 8.818 909 H PHE 115 H PHE 115 -1.729 6.118 8.399 910 HA PHE 115 HA PHE 115 -4.649 6.020 8.872 911 1HB PHE 115 2HB PHE 115 -2.419 6.684 10.816 912 2HB PHE 115 1HB PHE 115 -4.132 6.887 11.168 913 HD1 PHE 115 1HD PHE 115 -5.616 4.874 11.223 914 HD2 PHE 115 2HD PHE 115 -1.370 4.570 11.030 915 HE1 PHE 115 1HE PHE 115 -5.752 2.545 11.997 916 HE2 PHE 115 2HE PHE 115 -1.504 2.237 11.800 917 HZ PHE 115 HZ PHE 115 -3.694 1.221 12.283 918 H ASP 116 H ASP 116 -3.067 7.610 6.923 919 HA ASP 116 HA ASP 116 -3.926 10.286 7.787 920 1HB ASP 116 2HB ASP 116 -1.502 10.178 8.166 921 2HB ASP 116 1HB ASP 116 -1.250 9.650 6.507 922 H SER 117 H SER 117 -2.133 9.344 4.897 923 HA SER 117 HA SER 117 -3.863 10.661 3.136 924 1HB SER 117 2HB SER 117 -1.997 8.376 2.444 925 2HB SER 117 1HB SER 117 -2.543 9.673 1.377 926 HG SER 117 HG SER 117 -1.485 10.939 3.351 927 H TYR 118 H TYR 118 -3.708 7.314 4.223 928 HA TYR 118 HA TYR 118 -5.668 6.222 2.532 929 1HB TYR 118 2HB TYR 118 -4.281 4.741 3.809 930 2HB TYR 118 1HB TYR 118 -4.779 5.478 5.328 931 HD1 TYR 118 1HD TYR 118 -6.277 3.694 2.389 932 HD2 TYR 118 2HD TYR 118 -6.390 4.381 6.592 933 HE1 TYR 118 1HE TYR 118 -8.056 2.012 2.614 934 HE2 TYR 118 2HE TYR 118 -8.168 2.703 6.822 935 HH TYR 118 HH TYR 118 -9.047 0.585 4.267 936 H ALA 119 H ALA 119 -5.914 7.657 5.770 937 HA ALA 119 HA ALA 119 -8.674 7.313 6.133 938 1HB ALA 119 1HB ALA 119 -7.135 7.909 7.950 939 2HB ALA 119 2HB ALA 119 -8.492 9.031 7.859 940 3HB ALA 119 3HB ALA 119 -6.911 9.506 7.237 941 H ARG 120 H ARG 120 -6.821 9.791 4.506 942 HA ARG 120 HA ARG 120 -8.986 11.581 4.017 943 1HB ARG 120 2HB ARG 120 -6.655 12.325 3.991 944 2HB ARG 120 1HB ARG 120 -6.306 11.258 2.642 945 1HG ARG 120 2HG ARG 120 -6.508 13.555 1.903 946 2HG ARG 120 1HG ARG 120 -7.791 12.565 1.210 947 1HD ARG 120 2HD ARG 120 -9.408 13.466 2.722 948 2HD ARG 120 1HD ARG 120 -8.157 14.263 3.679 949 HE ARG 120 HE ARG 120 -7.730 15.541 1.492 950 1HH1 ARG 120 1HH1 ARG 120 -10.900 14.507 2.586 951 2HH1 ARG 120 2HH1 ARG 120 -11.732 15.784 1.761 952 1HH2 ARG 120 1HH2 ARG 120 -8.820 17.205 0.420 953 2HH2 ARG 120 2HH2 ARG 120 -10.548 17.320 0.526 954 H PHE 121 H PHE 121 -7.469 8.968 2.180 955 HA PHE 121 HA PHE 121 -8.751 9.393 -0.276 956 1HB PHE 121 2HB PHE 121 -6.798 7.965 -0.124 957 2HB PHE 121 1HB PHE 121 -7.648 6.846 0.934 958 HD1 PHE 121 1HD PHE 121 -7.597 8.216 -2.513 959 HD2 PHE 121 2HD PHE 121 -8.927 5.078 0.041 960 HE1 PHE 121 1HE PHE 121 -8.327 6.932 -4.477 961 HE2 PHE 121 2HE PHE 121 -9.657 3.790 -1.920 962 HZ PHE 121 HZ PHE 121 -9.358 4.716 -4.183 963 H VAL 122 H VAL 122 -9.584 7.046 2.293 964 HA VAL 122 HA VAL 122 -11.904 6.108 0.943 965 HB VAL 122 HB VAL 122 -12.500 5.015 3.087 966 1HG1 VAL 122 1HG1 VAL 122 -9.599 4.710 2.297 967 2HG1 VAL 122 2HG1 VAL 122 -10.976 3.912 1.536 968 3HG1 VAL 122 3HG1 VAL 122 -10.551 3.534 3.207 969 1HG2 VAL 122 1HG2 VAL 122 -10.973 5.191 5.014 970 2HG2 VAL 122 2HG2 VAL 122 -11.741 6.734 4.644 971 3HG2 VAL 122 3HG2 VAL 122 -10.065 6.449 4.174 972 H LYS 123 H LYS 123 -11.312 8.912 2.800 973 HA LYS 123 HA LYS 123 -14.112 9.273 3.541 974 1HB LYS 123 2HB LYS 123 -12.275 9.817 5.138 975 2HB LYS 123 1HB LYS 123 -11.743 11.089 4.047 976 1HG LYS 123 2HG LYS 123 -13.759 12.331 4.393 977 2HG LYS 123 1HG LYS 123 -14.494 10.993 5.282 978 1HD LYS 123 2HD LYS 123 -12.072 12.585 6.159 979 2HD LYS 123 1HD LYS 123 -13.708 12.755 6.800 980 1HE LYS 123 2HE LYS 123 -13.633 10.423 7.583 981 2HE LYS 123 1HE LYS 123 -11.992 10.270 6.956 982 1HZ LYS 123 1HZ LYS 123 -11.296 12.010 8.498 983 2HZ LYS 123 2HZ LYS 123 -11.974 10.696 9.316 984 3HZ LYS 123 3HZ LYS 123 -12.870 12.113 9.114 985 H SER 124 H SER 124 -11.776 10.420 1.205 986 HA SER 124 HA SER 124 -13.262 12.689 0.338 987 1HB SER 124 2HB SER 124 -11.737 12.640 -1.635 988 2HB SER 124 1HB SER 124 -10.865 12.543 -0.105 989 HG SER 124 HG SER 124 -11.435 10.068 -0.864 990 HA PRO 125 HA PRO 125 -16.576 10.949 -2.002 991 1HB PRO 125 2HB PRO 125 -15.810 12.923 -4.117 992 2HB PRO 125 1HB PRO 125 -17.387 12.624 -3.374 993 1HG PRO 125 2HG PRO 125 -15.958 14.755 -2.674 994 2HG PRO 125 1HG PRO 125 -16.859 13.832 -1.455 995 1HD PRO 125 2HD PRO 125 -13.924 13.852 -2.034 996 2HD PRO 125 1HD PRO 125 -14.767 13.722 -0.476 997 H LEU 126 H LEU 126 -13.434 11.372 -3.503 998 HA LEU 126 HA LEU 126 -13.640 10.075 -5.901 999 1HB LEU 126 2HB LEU 126 -11.601 11.150 -4.832 1000 2HB LEU 126 1HB LEU 126 -11.352 9.651 -3.965 1001 HG LEU 126 HG LEU 126 -11.386 9.806 -6.987 1002 1HD1 LEU 126 1HD1 LEU 126 -8.937 9.790 -6.889 1003 2HD1 LEU 126 2HD1 LEU 126 -9.004 9.944 -5.133 1004 3HD1 LEU 126 3HD1 LEU 126 -9.605 11.248 -6.157 1005 1HD2 LEU 126 1HD2 LEU 126 -10.156 7.681 -6.827 1006 2HD2 LEU 126 2HD2 LEU 126 -11.755 7.572 -6.097 1007 3HD2 LEU 126 3HD2 LEU 126 -10.327 7.720 -5.073 1008 H TYR 127 H TYR 127 -13.246 8.577 -2.705 1009 HA TYR 127 HA TYR 127 -13.045 5.909 -3.518 1010 1HB TYR 127 2HB TYR 127 -12.561 6.597 -1.231 1011 2HB TYR 127 1HB TYR 127 -14.232 7.087 -0.989 1012 HD1 TYR 127 1HD TYR 127 -15.313 5.682 0.496 1013 HD2 TYR 127 2HD TYR 127 -12.588 3.970 -2.297 1014 HE1 TYR 127 1HE TYR 127 -15.843 3.443 1.357 1015 HE2 TYR 127 2HE TYR 127 -13.123 1.723 -1.444 1016 HH TYR 127 HH TYR 127 -15.756 1.129 0.648 1017 H ARG 128 H ARG 128 -15.900 7.834 -2.682 1018 HA ARG 128 HA ARG 128 -17.815 5.785 -3.034 1019 1HB ARG 128 2HB ARG 128 -18.206 7.916 -1.797 1020 2HB ARG 128 1HB ARG 128 -18.188 8.783 -3.327 1021 1HG ARG 128 2HG ARG 128 -20.157 7.497 -4.062 1022 2HG ARG 128 1HG ARG 128 -20.180 6.668 -2.503 1023 1HD ARG 128 2HD ARG 128 -20.542 9.633 -2.967 1024 2HD ARG 128 1HD ARG 128 -21.802 8.481 -2.524 1025 HE ARG 128 HE ARG 128 -19.506 8.975 -0.740 1026 1HH1 ARG 128 1HH1 ARG 128 -22.954 8.938 -1.320 1027 2HH1 ARG 128 2HH1 ARG 128 -23.370 9.210 0.342 1028 1HH2 ARG 128 1HH2 ARG 128 -20.048 9.378 1.450 1029 2HH2 ARG 128 2HH2 ARG 128 -21.717 9.473 1.917 1030 H GLU 129 H GLU 129 -16.381 8.129 -5.245 1031 HA GLU 129 HA GLU 129 -18.103 7.734 -7.436 1032 1HB GLU 129 2HB GLU 129 -15.172 8.510 -7.434 1033 2HB GLU 129 1HB GLU 129 -16.265 8.675 -8.803 1034 1HG GLU 129 2HG GLU 129 -17.647 10.235 -7.481 1035 2HG GLU 129 1HG GLU 129 -16.489 10.110 -6.160 1036 H CYS 130 H CYS 130 -15.256 5.987 -6.334 1037 HA CYS 130 HA CYS 130 -15.023 4.321 -8.644 1038 1HB CYS 130 2HB CYS 130 -13.980 3.886 -5.832 1039 2HB CYS 130 1HB CYS 130 -13.474 2.994 -7.264 1040 HG CYS 130 HG CYS 130 -12.770 6.208 -6.405 1041 H LEU 131 H LEU 131 -16.797 4.153 -5.639 1042 HA LEU 131 HA LEU 131 -17.649 1.408 -6.065 1043 1HB LEU 131 2HB LEU 131 -18.081 3.463 -3.926 1044 2HB LEU 131 1HB LEU 131 -19.158 2.086 -4.014 1045 HG LEU 131 HG LEU 131 -17.210 0.568 -3.767 1046 1HD1 LEU 131 1HD1 LEU 131 -15.049 1.458 -3.083 1047 2HD1 LEU 131 2HD1 LEU 131 -15.639 3.103 -3.317 1048 3HD1 LEU 131 3HD1 LEU 131 -15.482 2.017 -4.698 1049 1HD2 LEU 131 1HD2 LEU 131 -18.511 1.210 -1.812 1050 2HD2 LEU 131 2HD2 LEU 131 -17.503 2.640 -1.589 1051 3HD2 LEU 131 3HD2 LEU 131 -16.808 1.031 -1.391 1052 H LEU 132 H LEU 132 -18.647 4.477 -7.056 1053 HA LEU 132 HA LEU 132 -20.469 5.324 -8.093 1054 1HB LEU 132 2HB LEU 132 -21.309 2.426 -8.333 1055 2HB LEU 132 1HB LEU 132 -22.106 3.767 -9.136 1056 HG LEU 132 HG LEU 132 -19.252 2.871 -9.619 1057 1HD1 LEU 132 1HD1 LEU 132 -21.722 2.607 -11.340 1058 2HD1 LEU 132 2HD1 LEU 132 -20.887 1.293 -10.510 1059 3HD1 LEU 132 3HD1 LEU 132 -20.081 2.166 -11.813 1060 1HD2 LEU 132 1HD2 LEU 132 -19.504 5.283 -9.914 1061 2HD2 LEU 132 2HD2 LEU 132 -20.883 5.022 -10.981 1062 3HD2 LEU 132 3HD2 LEU 132 -19.277 4.481 -11.467 1063 H ALA 133 H ALA 133 -21.594 6.513 -6.719 1064 HA ALA 133 HA ALA 133 -22.482 5.892 -4.213 1065 1HB ALA 133 1HB ALA 133 -23.925 7.860 -4.355 1066 2HB ALA 133 2HB ALA 133 -23.766 7.857 -6.112 1067 3HB ALA 133 3HB ALA 133 -22.355 8.170 -5.100 1068 H GLU 134 H GLU 134 -24.463 5.823 -7.164 1069 HA GLU 134 HA GLU 134 -25.942 3.552 -6.269 1070 1HB GLU 134 2HB GLU 134 -27.056 5.398 -4.976 1071 2HB GLU 134 1HB GLU 134 -27.470 6.166 -6.502 1072 1HG GLU 134 2HG GLU 134 -29.383 4.976 -5.680 1073 2HG GLU 134 1HG GLU 134 -28.777 4.160 -7.121 1074 H ALA 135 H ALA 135 -25.819 2.487 -8.141 1075 HA ALA 135 HA ALA 135 -26.872 3.782 -10.560 1076 1HB ALA 135 1HB ALA 135 -25.045 2.881 -11.914 1077 2HB ALA 135 2HB ALA 135 -24.280 2.229 -10.464 1078 3HB ALA 135 3HB ALA 135 -24.433 3.974 -10.673 1079 H GLU 136 H GLU 136 -25.498 0.665 -9.464 1080 HA GLU 136 HA GLU 136 -27.778 -0.698 -10.765 1081 1HB GLU 136 2HB GLU 136 -24.889 -1.606 -10.650 1082 2HB GLU 136 1HB GLU 136 -26.218 -2.527 -11.342 1083 1HG GLU 136 2HG GLU 136 -26.515 -0.899 -13.082 1084 2HG GLU 136 1HG GLU 136 -25.330 0.173 -12.338 Start of MODEL 9 1 1H SER 1 1HT SER 1 -14.753 -18.594 8.493 2 2H SER 1 2HT SER 1 -13.282 -18.067 7.856 3 3H SER 1 3HT SER 1 -13.921 -19.560 7.384 4 HA SER 1 HA SER 1 -14.222 -17.897 5.671 5 1HB SER 1 2HB SER 1 -15.887 -19.727 5.958 6 2HB SER 1 1HB SER 1 -16.824 -18.688 7.032 7 HG SER 1 HG SER 1 -17.734 -17.960 5.292 8 H MET 2 H MET 2 -14.781 -15.815 5.097 9 HA MET 2 HA MET 2 -16.047 -14.069 7.067 10 1HB MET 2 2HB MET 2 -13.558 -14.064 7.509 11 2HB MET 2 1HB MET 2 -13.329 -13.394 5.902 12 1HG MET 2 2HG MET 2 -14.930 -12.085 8.095 13 2HG MET 2 1HG MET 2 -13.252 -11.709 7.711 14 1HE MET 2 1HE MET 2 -13.872 -9.134 7.464 15 2HE MET 2 2HE MET 2 -15.551 -9.507 7.858 16 3HE MET 2 3HE MET 2 -15.175 -8.541 6.432 17 H THR 3 H THR 3 -14.259 -13.991 3.972 18 HA THR 3 HA THR 3 -16.560 -13.237 2.479 19 HB THR 3 HB THR 3 -16.114 -11.036 3.515 20 HG1 THR 3 1HG THR 3 -16.933 -10.617 1.582 21 1HG2 THR 3 1HG2 THR 3 -14.081 -9.786 2.958 22 2HG2 THR 3 2HG2 THR 3 -13.438 -11.191 2.110 23 3HG2 THR 3 3HG2 THR 3 -13.686 -11.254 3.855 24 H GLU 4 H GLU 4 -16.213 -13.328 0.266 25 HA GLU 4 HA GLU 4 -13.840 -14.685 -0.634 26 1HB GLU 4 2HB GLU 4 -16.071 -15.179 -1.561 27 2HB GLU 4 1HB GLU 4 -16.181 -13.542 -2.185 28 1HG GLU 4 2HG GLU 4 -14.392 -13.940 -3.729 29 2HG GLU 4 1HG GLU 4 -14.062 -15.517 -3.012 30 H GLU 5 H GLU 5 -14.941 -11.470 -0.360 31 HA GLU 5 HA GLU 5 -14.074 -9.440 -0.835 32 1HB GLU 5 2HB GLU 5 -12.127 -10.396 0.379 33 2HB GLU 5 1HB GLU 5 -11.468 -10.952 -1.155 34 1HG GLU 5 2HG GLU 5 -11.381 -8.589 -1.915 35 2HG GLU 5 1HG GLU 5 -11.919 -8.092 -0.311 36 H GLN 6 H GLN 6 -15.426 -9.729 -2.807 37 HA GLN 6 HA GLN 6 -13.889 -10.004 -5.274 38 1HB GLN 6 2HB GLN 6 -16.094 -11.158 -5.015 39 2HB GLN 6 1HB GLN 6 -16.869 -9.581 -4.966 40 1HG GLN 6 2HG GLN 6 -17.062 -10.516 -7.177 41 2HG GLN 6 1HG GLN 6 -16.010 -9.103 -7.222 42 1HE2 GLN 6 1HE2 GLN 6 -16.191 -12.554 -7.513 43 2HE2 GLN 6 2HE2 GLN 6 -14.613 -12.788 -8.181 44 HA PRO 7 HA PRO 7 -15.655 -5.555 -5.848 45 1HB PRO 7 2HB PRO 7 -16.586 -4.185 -3.706 46 2HB PRO 7 1HB PRO 7 -17.614 -5.260 -4.662 47 1HG PRO 7 2HG PRO 7 -16.234 -5.788 -2.052 48 2HG PRO 7 1HG PRO 7 -17.894 -6.182 -2.537 49 1HD PRO 7 2HD PRO 7 -15.887 -8.009 -2.568 50 2HD PRO 7 1HD PRO 7 -17.239 -8.056 -3.718 51 H VAL 8 H VAL 8 -14.511 -3.630 -5.796 52 HA VAL 8 HA VAL 8 -11.903 -3.713 -4.711 53 HB VAL 8 HB VAL 8 -11.624 -1.451 -5.596 54 1HG1 VAL 8 1HG1 VAL 8 -11.440 -3.320 -7.151 55 2HG1 VAL 8 2HG1 VAL 8 -12.131 -1.911 -7.957 56 3HG1 VAL 8 3HG1 VAL 8 -13.174 -3.247 -7.470 57 1HG2 VAL 8 1HG2 VAL 8 -13.768 -0.488 -4.964 58 2HG2 VAL 8 2HG2 VAL 8 -14.603 -1.534 -6.113 59 3HG2 VAL 8 3HG2 VAL 8 -13.501 -0.286 -6.696 60 H ALA 9 H ALA 9 -14.843 -2.801 -3.310 61 HA ALA 9 HA ALA 9 -14.173 -0.713 -1.589 62 1HB ALA 9 1HB ALA 9 -16.068 -3.008 -1.059 63 2HB ALA 9 2HB ALA 9 -16.466 -1.521 -1.920 64 3HB ALA 9 3HB ALA 9 -16.045 -1.462 -0.209 65 H SER 10 H SER 10 -12.968 -3.865 -1.667 66 HA SER 10 HA SER 10 -12.486 -4.518 0.985 67 1HB SER 10 2HB SER 10 -10.481 -5.783 -0.052 68 2HB SER 10 1HB SER 10 -12.100 -6.193 -0.621 69 HG SER 10 HG SER 10 -11.547 -5.550 -2.537 70 H TRP 11 H TRP 11 -10.990 -2.083 -0.987 71 HA TRP 11 HA TRP 11 -8.529 -1.750 0.286 72 1HB TRP 11 2HB TRP 11 -10.320 0.467 -0.743 73 2HB TRP 11 1HB TRP 11 -8.586 0.571 -0.475 74 HD1 TRP 11 HD TRP 11 -7.930 -2.289 -1.985 75 HE1 TRP 11 1HE TRP 11 -7.996 -2.282 -4.564 76 HE3 TRP 11 3HE TRP 11 -10.779 1.884 -2.707 77 HZ2 TRP 11 2HZ TRP 11 -9.106 -0.704 -6.626 78 HZ3 TRP 11 3HZ TRP 11 -11.298 2.582 -5.003 79 HH2 TRP 11 HH TRP 11 -10.478 1.315 -6.925 80 H ALA 12 H ALA 12 -11.753 -0.746 1.232 81 HA ALA 12 HA ALA 12 -10.939 1.082 3.272 82 1HB ALA 12 1HB ALA 12 -13.085 1.293 2.111 83 2HB ALA 12 2HB ALA 12 -13.307 1.166 3.856 84 3HB ALA 12 3HB ALA 12 -13.620 -0.229 2.823 85 H LEU 13 H LEU 13 -10.870 -2.253 3.150 86 HA LEU 13 HA LEU 13 -11.559 -2.776 5.904 87 1HB LEU 13 2HB LEU 13 -10.164 -4.527 3.865 88 2HB LEU 13 1HB LEU 13 -10.730 -5.060 5.439 89 HG LEU 13 HG LEU 13 -12.480 -4.081 3.171 90 1HD1 LEU 13 1HD1 LEU 13 -11.537 -6.282 2.731 91 2HD1 LEU 13 2HD1 LEU 13 -13.264 -6.397 3.066 92 3HD1 LEU 13 3HD1 LEU 13 -12.094 -6.853 4.305 93 1HD2 LEU 13 1HD2 LEU 13 -13.436 -3.485 5.330 94 2HD2 LEU 13 2HD2 LEU 13 -13.236 -5.144 5.898 95 3HD2 LEU 13 3HD2 LEU 13 -14.359 -4.790 4.584 96 H SER 14 H SER 14 -8.587 -2.472 3.995 97 HA SER 14 HA SER 14 -7.081 -1.775 6.366 98 1HB SER 14 2HB SER 14 -6.294 -4.208 4.731 99 2HB SER 14 1HB SER 14 -5.357 -3.504 6.047 100 HG SER 14 HG SER 14 -7.726 -3.919 7.052 101 H PHE 15 H PHE 15 -5.371 -0.459 5.888 102 HA PHE 15 HA PHE 15 -5.207 0.806 3.400 103 1HB PHE 15 2HB PHE 15 -4.378 1.881 5.427 104 2HB PHE 15 1HB PHE 15 -3.137 0.645 5.612 105 HD1 PHE 15 1HD PHE 15 -4.222 2.576 2.602 106 HD2 PHE 15 2HD PHE 15 -1.091 1.717 5.364 107 HE1 PHE 15 1HE PHE 15 -2.677 3.945 1.271 108 HE2 PHE 15 2HE PHE 15 0.456 3.086 4.031 109 HZ PHE 15 HZ PHE 15 -0.336 4.202 1.982 110 H GLU 16 H GLU 16 -3.156 -1.690 4.819 111 HA GLU 16 HA GLU 16 -1.338 -2.221 2.891 112 1HB GLU 16 2HB GLU 16 -1.476 -3.432 5.006 113 2HB GLU 16 1HB GLU 16 -2.960 -4.216 4.487 114 1HG GLU 16 2HG GLU 16 -1.698 -5.338 2.682 115 2HG GLU 16 1HG GLU 16 -0.216 -4.601 3.297 116 H ARG 17 H ARG 17 -4.708 -3.385 2.935 117 HA ARG 17 HA ARG 17 -4.589 -4.944 0.609 118 1HB ARG 17 2HB ARG 17 -6.458 -4.645 2.475 119 2HB ARG 17 1HB ARG 17 -7.119 -3.491 1.327 120 1HG ARG 17 2HG ARG 17 -6.546 -6.400 0.739 121 2HG ARG 17 1HG ARG 17 -8.130 -5.732 1.128 122 1HD ARG 17 2HD ARG 17 -8.105 -4.391 -0.882 123 2HD ARG 17 1HD ARG 17 -6.451 -4.893 -1.236 124 HE ARG 17 HE ARG 17 -8.255 -7.112 -1.027 125 1HH1 ARG 17 1HH1 ARG 17 -7.062 -4.620 -3.169 126 2HH1 ARG 17 2HH1 ARG 17 -7.441 -5.488 -4.619 127 1HH2 ARG 17 1HH2 ARG 17 -8.753 -8.279 -2.907 128 2HH2 ARG 17 2HH2 ARG 17 -8.400 -7.604 -4.467 129 H LEU 18 H LEU 18 -5.502 -1.549 1.083 130 HA LEU 18 HA LEU 18 -6.051 -0.894 -1.604 131 1HB LEU 18 2HB LEU 18 -6.733 0.604 0.141 132 2HB LEU 18 1HB LEU 18 -5.090 0.753 0.740 133 HG LEU 18 HG LEU 18 -4.501 1.895 -1.442 134 1HD1 LEU 18 1HD1 LEU 18 -6.321 2.854 -2.750 135 2HD1 LEU 18 2HD1 LEU 18 -7.495 1.976 -1.770 136 3HD1 LEU 18 3HD1 LEU 18 -6.355 1.091 -2.785 137 1HD2 LEU 18 1HD2 LEU 18 -4.820 3.162 0.605 138 2HD2 LEU 18 2HD2 LEU 18 -6.561 3.226 0.320 139 3HD2 LEU 18 3HD2 LEU 18 -5.454 4.053 -0.779 140 H LEU 19 H LEU 19 -3.106 -0.737 0.297 141 HA LEU 19 HA LEU 19 -1.597 0.673 -1.664 142 1HB LEU 19 2HB LEU 19 -1.331 0.795 0.842 143 2HB LEU 19 1HB LEU 19 -0.601 -0.798 0.781 144 HG LEU 19 HG LEU 19 1.221 0.069 -0.589 145 1HD1 LEU 19 1HD1 LEU 19 0.040 1.830 -1.782 146 2HD1 LEU 19 2HD1 LEU 19 1.455 2.493 -0.966 147 3HD1 LEU 19 3HD1 LEU 19 -0.155 2.742 -0.286 148 1HD2 LEU 19 1HD2 LEU 19 2.304 1.472 1.099 149 2HD2 LEU 19 2HD2 LEU 19 1.481 0.093 1.826 150 3HD2 LEU 19 3HD2 LEU 19 0.750 1.696 1.905 151 H GLN 20 H GLN 20 -2.281 -2.627 -1.059 152 HA GLN 20 HA GLN 20 -0.042 -3.565 -2.699 153 1HB GLN 20 2HB GLN 20 -1.775 -4.762 -0.663 154 2HB GLN 20 1HB GLN 20 -1.618 -5.782 -2.082 155 1HG GLN 20 2HG GLN 20 0.026 -6.344 -0.372 156 2HG GLN 20 1HG GLN 20 0.791 -5.795 -1.859 157 1HE2 GLN 20 1HE2 GLN 20 -0.669 -3.600 0.442 158 2HE2 GLN 20 2HE2 GLN 20 0.805 -2.886 0.980 159 H ASP 21 H ASP 21 -3.014 -2.307 -3.243 160 HA ASP 21 HA ASP 21 -3.638 -4.088 -5.504 161 1HB ASP 21 2HB ASP 21 -5.461 -3.610 -3.847 162 2HB ASP 21 1HB ASP 21 -5.371 -1.910 -4.298 163 HA PRO 22 HA PRO 22 -1.548 -1.055 -8.054 164 1HB PRO 22 2HB PRO 22 -3.126 -2.432 -10.187 165 2HB PRO 22 1HB PRO 22 -1.394 -2.087 -10.115 166 1HG PRO 22 2HG PRO 22 -2.288 -4.552 -9.677 167 2HG PRO 22 1HG PRO 22 -0.957 -3.891 -8.707 168 1HD PRO 22 2HD PRO 22 -3.845 -4.242 -7.982 169 2HD PRO 22 1HD PRO 22 -2.394 -4.479 -6.985 170 H LEU 23 H LEU 23 -4.984 -1.783 -8.708 171 HA LEU 23 HA LEU 23 -5.555 0.605 -10.095 172 1HB LEU 23 2HB LEU 23 -6.921 -1.563 -9.979 173 2HB LEU 23 1HB LEU 23 -7.530 -0.986 -8.443 174 HG LEU 23 HG LEU 23 -7.893 0.509 -11.055 175 1HD1 LEU 23 1HD1 LEU 23 -9.805 -1.362 -9.653 176 2HD1 LEU 23 2HD1 LEU 23 -9.003 -1.651 -11.197 177 3HD1 LEU 23 3HD1 LEU 23 -10.188 -0.355 -11.049 178 1HD2 LEU 23 1HD2 LEU 23 -9.675 1.690 -9.831 179 2HD2 LEU 23 2HD2 LEU 23 -8.093 1.940 -9.096 180 3HD2 LEU 23 3HD2 LEU 23 -9.235 0.815 -8.362 181 H GLY 24 H GLY 24 -6.051 -0.333 -6.710 182 1HA GLY 24 2HA GLY 24 -7.153 2.058 -5.769 183 2HA GLY 24 1HA GLY 24 -6.275 0.887 -4.796 184 H LEU 25 H LEU 25 -3.788 0.953 -5.476 185 HA LEU 25 HA LEU 25 -2.708 3.243 -4.356 186 1HB LEU 25 2HB LEU 25 -1.729 0.826 -5.007 187 2HB LEU 25 1HB LEU 25 -1.049 1.745 -6.333 188 HG LEU 25 HG LEU 25 -0.572 2.230 -3.384 189 1HD1 LEU 25 1HD1 LEU 25 1.721 1.553 -3.874 190 2HD1 LEU 25 2HD1 LEU 25 1.273 1.224 -5.548 191 3HD1 LEU 25 3HD1 LEU 25 0.574 0.264 -4.242 192 1HD2 LEU 25 1HD2 LEU 25 0.547 3.712 -5.767 193 2HD2 LEU 25 2HD2 LEU 25 1.075 3.909 -4.095 194 3HD2 LEU 25 3HD2 LEU 25 -0.566 4.356 -4.558 195 H ALA 26 H ALA 26 -3.321 2.486 -7.751 196 HA ALA 26 HA ALA 26 -1.834 4.517 -8.962 197 1HB ALA 26 1HB ALA 26 -4.431 3.304 -9.917 198 2HB ALA 26 2HB ALA 26 -2.816 2.658 -10.211 199 3HB ALA 26 3HB ALA 26 -3.285 4.208 -10.908 200 H TYR 27 H TYR 27 -5.316 4.536 -8.158 201 HA TYR 27 HA TYR 27 -5.602 7.301 -8.821 202 1HB TYR 27 2HB TYR 27 -7.411 5.333 -7.416 203 2HB TYR 27 1HB TYR 27 -7.863 7.020 -7.663 204 HD1 TYR 27 1HD TYR 27 -8.442 7.847 -9.852 205 HD2 TYR 27 2HD TYR 27 -7.171 3.814 -9.354 206 HE1 TYR 27 1HE TYR 27 -9.195 7.334 -12.130 207 HE2 TYR 27 2HE TYR 27 -7.924 3.291 -11.634 208 HH TYR 27 HH TYR 27 -8.663 5.671 -13.905 209 H PHE 28 H PHE 28 -4.858 5.531 -5.926 210 HA PHE 28 HA PHE 28 -5.297 7.514 -4.007 211 1HB PHE 28 2HB PHE 28 -4.790 5.209 -3.391 212 2HB PHE 28 1HB PHE 28 -3.186 5.338 -4.101 213 HD1 PHE 28 1HD PHE 28 -1.636 5.162 -2.407 214 HD2 PHE 28 2HD PHE 28 -5.081 7.592 -1.796 215 HE1 PHE 28 1HE PHE 28 -0.744 5.876 -0.234 216 HE2 PHE 28 2HE PHE 28 -4.190 8.314 0.378 217 HZ PHE 28 HZ PHE 28 -2.019 7.452 1.164 218 H THR 29 H THR 29 -2.268 6.720 -5.741 219 HA THR 29 HA THR 29 -0.883 9.006 -4.759 220 HB THR 29 HB THR 29 0.319 6.978 -5.496 221 HG1 THR 29 1HG THR 29 1.133 9.065 -7.224 222 1HG2 THR 29 1HG2 THR 29 -0.490 7.821 -8.288 223 2HG2 THR 29 2HG2 THR 29 -1.051 6.380 -7.440 224 3HG2 THR 29 3HG2 THR 29 0.647 6.532 -7.888 225 H GLU 30 H GLU 30 -3.121 8.522 -7.315 226 HA GLU 30 HA GLU 30 -2.301 10.497 -9.129 227 1HB GLU 30 2HB GLU 30 -3.985 8.793 -9.671 228 2HB GLU 30 1HB GLU 30 -5.103 9.519 -8.523 229 1HG GLU 30 2HG GLU 30 -5.294 11.498 -9.859 230 2HG GLU 30 1HG GLU 30 -4.010 10.954 -10.937 231 H PHE 31 H PHE 31 -4.811 10.718 -6.567 232 HA PHE 31 HA PHE 31 -4.787 13.624 -6.878 233 1HB PHE 31 2HB PHE 31 -6.798 13.696 -5.643 234 2HB PHE 31 1HB PHE 31 -6.930 12.256 -6.643 235 HD1 PHE 31 1HD PHE 31 -6.333 13.462 -3.198 236 HD2 PHE 31 2HD PHE 31 -7.168 10.111 -5.696 237 HE1 PHE 31 1HE PHE 31 -6.870 12.117 -1.210 238 HE2 PHE 31 2HE PHE 31 -7.702 8.773 -3.715 239 HZ PHE 31 HZ PHE 31 -7.551 9.767 -1.468 240 H LEU 32 H LEU 32 -3.172 11.347 -5.047 241 HA LEU 32 HA LEU 32 -2.944 12.533 -2.517 242 1HB LEU 32 2HB LEU 32 -2.256 10.254 -3.015 243 2HB LEU 32 1HB LEU 32 -1.001 10.834 -4.087 244 HG LEU 32 HG LEU 32 0.268 11.703 -2.218 245 1HD1 LEU 32 1HD1 LEU 32 -0.428 11.412 0.079 246 2HD1 LEU 32 2HD1 LEU 32 -1.971 10.731 -0.450 247 3HD1 LEU 32 3HD1 LEU 32 -1.582 12.418 -0.795 248 1HD2 LEU 32 1HD2 LEU 32 0.562 9.350 -2.811 249 2HD2 LEU 32 2HD2 LEU 32 -0.709 8.898 -1.675 250 3HD2 LEU 32 3HD2 LEU 32 0.795 9.608 -1.084 251 H LYS 33 H LYS 33 -1.857 13.690 -5.497 252 HA LYS 33 HA LYS 33 0.485 15.081 -4.669 253 1HB LYS 33 2HB LYS 33 -0.089 14.498 -7.042 254 2HB LYS 33 1HB LYS 33 -1.344 15.728 -6.997 255 1HG LYS 33 2HG LYS 33 0.314 17.465 -6.672 256 2HG LYS 33 1HG LYS 33 1.598 16.258 -6.577 257 1HD LYS 33 2HD LYS 33 1.064 15.565 -8.901 258 2HD LYS 33 1HD LYS 33 -0.133 16.858 -8.984 259 1HE LYS 33 2HE LYS 33 2.819 17.255 -8.483 260 2HE LYS 33 1HE LYS 33 2.024 17.459 -10.041 261 1HZ LYS 33 1HZ LYS 33 0.683 19.227 -9.082 262 2HZ LYS 33 2HZ LYS 33 2.330 19.571 -8.923 263 3HZ LYS 33 3HZ LYS 33 1.451 19.032 -7.587 264 H LYS 34 H LYS 34 -2.874 15.642 -4.225 265 HA LYS 34 HA LYS 34 -3.009 18.438 -4.094 266 1HB LYS 34 2HB LYS 34 -4.545 16.362 -2.509 267 2HB LYS 34 1HB LYS 34 -4.951 18.072 -2.552 268 1HG LYS 34 2HG LYS 34 -5.455 17.950 -4.904 269 2HG LYS 34 1HG LYS 34 -4.901 16.275 -4.974 270 1HD LYS 34 2HD LYS 34 -6.696 15.613 -3.437 271 2HD LYS 34 1HD LYS 34 -7.244 17.288 -3.348 272 1HE LYS 34 2HE LYS 34 -7.151 15.638 -5.877 273 2HE LYS 34 1HE LYS 34 -8.591 15.885 -4.892 274 1HZ LYS 34 1HZ LYS 34 -8.505 17.397 -6.782 275 2HZ LYS 34 2HZ LYS 34 -7.043 18.036 -6.230 276 3HZ LYS 34 3HZ LYS 34 -8.452 18.248 -5.322 277 H GLU 35 H GLU 35 -2.499 16.105 -1.446 278 HA GLU 35 HA GLU 35 -1.742 18.217 0.390 279 1HB GLU 35 2HB GLU 35 -1.465 16.392 2.018 280 2HB GLU 35 1HB GLU 35 -3.028 16.314 1.214 281 1HG GLU 35 2HG GLU 35 -2.045 14.597 -0.330 282 2HG GLU 35 1HG GLU 35 -0.615 14.588 0.701 283 H PHE 36 H PHE 36 -0.206 16.747 -2.071 284 HA PHE 36 HA PHE 36 1.929 16.556 -2.769 285 1HB PHE 36 2HB PHE 36 1.895 18.973 -2.139 286 2HB PHE 36 1HB PHE 36 2.524 18.541 -0.555 287 HD1 PHE 36 1HD PHE 36 4.794 18.838 -0.251 288 HD2 PHE 36 2HD PHE 36 3.348 17.897 -4.149 289 HE1 PHE 36 1HE PHE 36 7.085 18.982 -1.134 290 HE2 PHE 36 2HE PHE 36 5.639 18.041 -5.033 291 HZ PHE 36 HZ PHE 36 7.509 18.583 -3.529 292 H SER 37 H SER 37 1.207 14.466 -1.251 293 HA SER 37 HA SER 37 3.794 13.785 -0.024 294 1HB SER 37 2HB SER 37 2.549 12.280 1.559 295 2HB SER 37 1HB SER 37 2.235 13.996 1.818 296 HG SER 37 HG SER 37 0.255 13.124 1.801 297 H ALA 38 H ALA 38 2.362 13.460 -2.701 298 HA ALA 38 HA ALA 38 1.880 10.696 -3.135 299 1HB ALA 38 1HB ALA 38 2.714 12.823 -5.114 300 2HB ALA 38 2HB ALA 38 1.056 12.428 -4.662 301 3HB ALA 38 3HB ALA 38 2.042 11.242 -5.518 302 H GLU 39 H GLU 39 4.627 12.465 -2.545 303 HA GLU 39 HA GLU 39 6.552 10.878 -3.977 304 1HB GLU 39 2HB GLU 39 6.855 12.878 -1.718 305 2HB GLU 39 1HB GLU 39 8.204 12.130 -2.560 306 1HG GLU 39 2HG GLU 39 7.743 14.405 -3.359 307 2HG GLU 39 1HG GLU 39 7.570 13.199 -4.630 308 H ASN 40 H ASN 40 4.985 10.807 -0.886 309 HA ASN 40 HA ASN 40 6.853 9.197 0.497 310 1HB ASN 40 2HB ASN 40 5.498 9.581 2.252 311 2HB ASN 40 1HB ASN 40 4.517 10.558 1.171 312 1HD2 ASN 40 1HD2 ASN 40 2.560 9.708 0.384 313 2HD2 ASN 40 2HD2 ASN 40 1.830 8.309 1.091 314 H VAL 41 H VAL 41 3.905 8.390 -1.338 315 HA VAL 41 HA VAL 41 4.148 5.585 -0.902 316 HB VAL 41 HB VAL 41 2.490 5.279 -2.656 317 1HG1 VAL 41 1HG1 VAL 41 1.706 5.917 -0.449 318 2HG1 VAL 41 2HG1 VAL 41 0.664 6.602 -1.696 319 3HG1 VAL 41 3HG1 VAL 41 1.842 7.625 -0.873 320 1HG2 VAL 41 1HG2 VAL 41 3.265 6.902 -4.289 321 2HG2 VAL 41 2HG2 VAL 41 2.830 8.231 -3.213 322 3HG2 VAL 41 3HG2 VAL 41 1.571 7.204 -3.898 323 H THR 42 H THR 42 5.434 7.817 -3.272 324 HA THR 42 HA THR 42 6.337 5.894 -5.141 325 HB THR 42 HB THR 42 7.505 8.636 -4.553 326 HG1 THR 42 1HG THR 42 5.646 9.261 -5.362 327 1HG2 THR 42 1HG2 THR 42 8.338 8.534 -6.862 328 2HG2 THR 42 2HG2 THR 42 7.703 6.897 -7.026 329 3HG2 THR 42 3HG2 THR 42 9.013 7.224 -5.892 330 H PHE 43 H PHE 43 7.785 7.343 -2.259 331 HA PHE 43 HA PHE 43 10.304 6.084 -2.417 332 1HB PHE 43 2HB PHE 43 9.927 7.968 -0.923 333 2HB PHE 43 1HB PHE 43 8.722 7.059 -0.020 334 HD1 PHE 43 1HD PHE 43 9.356 5.766 1.829 335 HD2 PHE 43 2HD PHE 43 12.335 7.121 -0.895 336 HE1 PHE 43 1HE PHE 43 11.109 4.972 3.360 337 HE2 PHE 43 2HE PHE 43 14.089 6.324 0.630 338 HZ PHE 43 HZ PHE 43 13.484 5.249 2.757 339 H TRP 44 H TRP 44 7.210 5.088 -1.065 340 HA TRP 44 HA TRP 44 8.138 2.701 0.156 341 1HB TRP 44 2HB TRP 44 5.989 3.833 0.744 342 2HB TRP 44 1HB TRP 44 5.337 3.345 -0.817 343 HD1 TRP 44 HD TRP 44 6.310 1.904 2.609 344 HE1 TRP 44 1HE TRP 44 5.246 -0.421 2.848 345 HE3 TRP 44 3HE TRP 44 4.487 1.344 -2.145 346 HZ2 TRP 44 2HZ TRP 44 3.821 -2.258 1.243 347 HZ3 TRP 44 3HZ TRP 44 3.281 -0.729 -2.707 348 HH2 TRP 44 HH TRP 44 2.958 -2.492 -1.047 349 H LYS 45 H LYS 45 6.507 3.341 -2.936 350 HA LYS 45 HA LYS 45 6.508 0.697 -3.890 351 1HB LYS 45 2HB LYS 45 6.499 3.306 -5.431 352 2HB LYS 45 1HB LYS 45 6.190 1.726 -6.140 353 1HG LYS 45 2HG LYS 45 4.223 1.471 -4.683 354 2HG LYS 45 1HG LYS 45 4.525 3.077 -4.016 355 1HD LYS 45 2HD LYS 45 2.802 3.199 -5.724 356 2HD LYS 45 1HD LYS 45 4.250 4.044 -6.274 357 1HE LYS 45 2HE LYS 45 4.885 2.043 -7.578 358 2HE LYS 45 1HE LYS 45 3.398 1.252 -7.059 359 1HZ LYS 45 1HZ LYS 45 2.140 3.001 -8.171 360 2HZ LYS 45 2HZ LYS 45 3.158 2.196 -9.251 361 3HZ LYS 45 3HZ LYS 45 3.578 3.730 -8.684 362 H ALA 46 H ALA 46 8.949 3.190 -3.883 363 HA ALA 46 HA ALA 46 10.729 2.077 -5.755 364 1HB ALA 46 1HB ALA 46 12.453 3.415 -4.658 365 2HB ALA 46 2HB ALA 46 11.388 3.680 -3.276 366 3HB ALA 46 3HB ALA 46 10.970 4.351 -4.852 367 H CYS 47 H CYS 47 10.085 1.358 -2.381 368 HA CYS 47 HA CYS 47 12.282 -0.527 -2.189 369 1HB CYS 47 2HB CYS 47 11.574 0.823 -0.231 370 2HB CYS 47 1HB CYS 47 10.022 -0.008 -0.245 371 HG CYS 47 HG CYS 47 11.539 -2.564 -0.003 372 H GLU 48 H GLU 48 8.836 -0.544 -2.769 373 HA GLU 48 HA GLU 48 8.381 -3.317 -2.550 374 1HB GLU 48 2HB GLU 48 6.462 -1.967 -2.597 375 2HB GLU 48 1HB GLU 48 7.004 -1.059 -3.992 376 1HG GLU 48 2HG GLU 48 6.344 -3.968 -4.275 377 2HG GLU 48 1HG GLU 48 5.049 -2.777 -4.195 378 H ARG 49 H ARG 49 9.265 -1.287 -5.318 379 HA ARG 49 HA ARG 49 9.602 -3.452 -7.135 380 1HB ARG 49 2HB ARG 49 9.163 -1.081 -7.807 381 2HB ARG 49 1HB ARG 49 10.786 -0.663 -7.275 382 1HG ARG 49 2HG ARG 49 11.739 -2.142 -8.966 383 2HG ARG 49 1HG ARG 49 10.116 -2.615 -9.479 384 1HD ARG 49 2HD ARG 49 10.992 -0.944 -10.994 385 2HD ARG 49 1HD ARG 49 9.650 -0.262 -10.073 386 HE ARG 49 HE ARG 49 12.249 0.241 -8.924 387 1HH1 ARG 49 1HH1 ARG 49 9.836 1.397 -11.170 388 2HH1 ARG 49 2HH1 ARG 49 10.427 3.027 -11.170 389 1HH2 ARG 49 1HH2 ARG 49 13.033 2.372 -8.895 390 2HH2 ARG 49 2HH2 ARG 49 12.240 3.595 -9.845 391 H PHE 50 H PHE 50 11.532 -2.029 -4.680 392 HA PHE 50 HA PHE 50 14.096 -2.891 -5.566 393 1HB PHE 50 2HB PHE 50 13.644 -1.069 -3.890 394 2HB PHE 50 1HB PHE 50 13.186 -2.311 -2.735 395 HD1 PHE 50 1HD PHE 50 14.787 -2.939 -1.205 396 HD2 PHE 50 2HD PHE 50 16.038 -1.500 -5.015 397 HE1 PHE 50 1HE PHE 50 17.133 -3.093 -0.493 398 HE2 PHE 50 2HE PHE 50 18.386 -1.659 -4.305 399 HZ PHE 50 HZ PHE 50 18.940 -2.456 -2.043 400 H GLN 51 H GLN 51 11.672 -4.251 -3.338 401 HA GLN 51 HA GLN 51 13.213 -6.628 -2.833 402 1HB GLN 51 2HB GLN 51 11.208 -7.447 -1.661 403 2HB GLN 51 1HB GLN 51 11.652 -5.828 -1.138 404 1HG GLN 51 2HG GLN 51 9.890 -4.876 -2.518 405 2HG GLN 51 1HG GLN 51 9.469 -6.481 -3.110 406 1HE2 GLN 51 1HE2 GLN 51 7.370 -6.295 -2.351 407 2HE2 GLN 51 2HE2 GLN 51 6.981 -6.402 -0.673 408 H GLN 52 H GLN 52 11.134 -5.565 -5.320 409 HA GLN 52 HA GLN 52 10.269 -8.046 -6.371 410 1HB GLN 52 2HB GLN 52 9.301 -5.939 -7.134 411 2HB GLN 52 1HB GLN 52 10.859 -5.411 -7.753 412 1HG GLN 52 2HG GLN 52 10.794 -7.309 -9.364 413 2HG GLN 52 1HG GLN 52 9.165 -7.674 -8.798 414 1HE2 GLN 52 1HE2 GLN 52 11.157 -5.430 -10.559 415 2HE2 GLN 52 2HE2 GLN 52 9.863 -4.572 -11.321 416 H ILE 53 H ILE 53 13.278 -6.349 -6.399 417 HA ILE 53 HA ILE 53 14.552 -7.646 -8.565 418 HB ILE 53 HB ILE 53 15.769 -6.413 -6.077 419 1HG1 ILE 53 2HG1 ILE 53 15.348 -5.167 -8.809 420 2HG1 ILE 53 1HG1 ILE 53 14.267 -4.917 -7.444 421 1HG2 ILE 53 1HG2 ILE 53 17.029 -7.039 -8.751 422 2HG2 ILE 53 2HG2 ILE 53 17.365 -7.853 -7.224 423 3HG2 ILE 53 3HG2 ILE 53 17.805 -6.157 -7.436 424 1HD1 ILE 53 1HD1 ILE 53 17.174 -4.146 -7.551 425 2HD1 ILE 53 2HD1 ILE 53 16.081 -3.883 -6.190 426 3HD1 ILE 53 3HD1 ILE 53 15.797 -3.057 -7.723 427 HA PRO 54 HA PRO 54 14.910 -11.671 -6.739 428 1HB PRO 54 2HB PRO 54 16.617 -12.816 -8.500 429 2HB PRO 54 1HB PRO 54 14.945 -12.420 -8.917 430 1HG PRO 54 2HG PRO 54 17.452 -10.866 -9.491 431 2HG PRO 54 1HG PRO 54 16.112 -11.265 -10.586 432 1HD PRO 54 2HD PRO 54 16.309 -8.853 -9.383 433 2HD PRO 54 1HD PRO 54 14.739 -9.615 -9.710 434 H ALA 55 H ALA 55 16.933 -9.469 -5.910 435 HA ALA 55 HA ALA 55 18.625 -9.317 -4.418 436 1HB ALA 55 1HB ALA 55 17.381 -11.077 -3.234 437 2HB ALA 55 2HB ALA 55 19.121 -11.206 -2.983 438 3HB ALA 55 3HB ALA 55 18.307 -12.303 -4.101 439 H SER 56 H SER 56 19.365 -12.517 -5.799 440 HA SER 56 HA SER 56 22.101 -12.322 -5.770 441 1HB SER 56 2HB SER 56 20.489 -13.812 -7.852 442 2HB SER 56 1HB SER 56 22.116 -14.197 -7.291 443 HG SER 56 HG SER 56 21.272 -15.234 -5.679 444 H ASP 57 H ASP 57 19.903 -10.917 -8.066 445 HA ASP 57 HA ASP 57 21.545 -10.405 -10.243 446 1HB ASP 57 2HB ASP 57 19.104 -9.846 -10.116 447 2HB ASP 57 1HB ASP 57 19.502 -8.492 -9.066 448 H THR 58 H THR 58 20.965 -8.282 -7.457 449 HA THR 58 HA THR 58 22.310 -6.975 -6.200 450 HB THR 58 HB THR 58 24.631 -7.978 -7.867 451 HG1 THR 58 1HG THR 58 23.068 -9.304 -6.193 452 1HG2 THR 58 1HG2 THR 58 25.153 -5.941 -6.588 453 2HG2 THR 58 2HG2 THR 58 25.991 -7.341 -5.918 454 3HG2 THR 58 3HG2 THR 58 24.554 -6.707 -5.116 455 H GLN 59 H GLN 59 22.631 -6.807 -9.677 456 HA GLN 59 HA GLN 59 23.878 -4.245 -9.792 457 1HB GLN 59 2HB GLN 59 22.210 -5.681 -11.879 458 2HB GLN 59 1HB GLN 59 23.251 -4.293 -12.178 459 1HG GLN 59 2HG GLN 59 25.213 -5.573 -11.681 460 2HG GLN 59 1HG GLN 59 24.244 -6.941 -11.137 461 1HE2 GLN 59 1HE2 GLN 59 26.278 -6.802 -13.225 462 2HE2 GLN 59 2HE2 GLN 59 25.510 -7.341 -14.679 463 H GLN 60 H GLN 60 20.563 -5.333 -10.435 464 HA GLN 60 HA GLN 60 19.297 -2.880 -10.663 465 1HB GLN 60 2HB GLN 60 18.235 -5.455 -9.470 466 2HB GLN 60 1HB GLN 60 17.236 -4.094 -9.949 467 1HG GLN 60 2HG GLN 60 17.901 -4.388 -12.266 468 2HG GLN 60 1HG GLN 60 18.977 -5.708 -11.803 469 1HE2 GLN 60 1HE2 GLN 60 17.920 -7.212 -13.083 470 2HE2 GLN 60 2HE2 GLN 60 16.339 -7.812 -12.718 471 H LEU 61 H LEU 61 20.143 -4.738 -7.785 472 HA LEU 61 HA LEU 61 18.784 -3.209 -5.864 473 1HB LEU 61 2HB LEU 61 21.333 -4.819 -5.641 474 2HB LEU 61 1HB LEU 61 20.511 -4.114 -4.265 475 HG LEU 61 HG LEU 61 19.323 -6.205 -6.102 476 1HD1 LEU 61 1HD1 LEU 61 19.611 -7.739 -4.219 477 2HD1 LEU 61 2HD1 LEU 61 20.429 -6.472 -3.304 478 3HD1 LEU 61 3HD1 LEU 61 21.161 -7.110 -4.776 479 1HD2 LEU 61 1HD2 LEU 61 17.633 -4.740 -5.106 480 2HD2 LEU 61 2HD2 LEU 61 18.298 -5.050 -3.502 481 3HD2 LEU 61 3HD2 LEU 61 17.556 -6.362 -4.418 482 H ALA 62 H ALA 62 22.121 -2.969 -7.071 483 HA ALA 62 HA ALA 62 22.894 -0.797 -5.449 484 1HB ALA 62 1HB ALA 62 23.976 -1.616 -8.151 485 2HB ALA 62 2HB ALA 62 24.512 -2.242 -6.590 486 3HB ALA 62 3HB ALA 62 24.774 -0.546 -6.996 487 H GLN 63 H GLN 63 21.753 -0.921 -8.808 488 HA GLN 63 HA GLN 63 21.864 1.800 -9.401 489 1HB GLN 63 2HB GLN 63 19.926 -0.297 -10.422 490 2HB GLN 63 1HB GLN 63 20.177 1.281 -11.157 491 1HG GLN 63 2HG GLN 63 22.436 0.724 -11.742 492 2HG GLN 63 1HG GLN 63 22.345 -0.786 -10.835 493 1HE2 GLN 63 1HE2 GLN 63 22.944 -0.314 -13.669 494 2HE2 GLN 63 2HE2 GLN 63 21.786 -1.244 -14.555 495 H GLU 64 H GLU 64 19.111 -0.112 -8.216 496 HA GLU 64 HA GLU 64 17.266 2.006 -8.122 497 1HB GLU 64 2HB GLU 64 16.719 -0.451 -8.072 498 2HB GLU 64 1HB GLU 64 17.247 -0.482 -6.396 499 1HG GLU 64 2HG GLU 64 14.855 -0.337 -6.463 500 2HG GLU 64 1HG GLU 64 15.503 1.185 -5.850 501 H ALA 65 H ALA 65 19.168 0.499 -5.501 502 HA ALA 65 HA ALA 65 18.217 2.019 -3.383 503 1HB ALA 65 1HB ALA 65 20.257 1.386 -2.194 504 2HB ALA 65 2HB ALA 65 21.002 0.894 -3.716 505 3HB ALA 65 3HB ALA 65 19.601 0.021 -3.097 506 H ARG 66 H ARG 66 20.905 2.720 -5.588 507 HA ARG 66 HA ARG 66 21.746 5.077 -4.221 508 1HB ARG 66 2HB ARG 66 22.278 4.150 -7.057 509 2HB ARG 66 1HB ARG 66 23.086 5.508 -6.279 510 1HG ARG 66 2HG ARG 66 24.026 4.021 -4.601 511 2HG ARG 66 1HG ARG 66 23.173 2.652 -5.311 512 1HD ARG 66 2HD ARG 66 24.458 2.984 -7.400 513 2HD ARG 66 1HD ARG 66 25.350 4.290 -6.613 514 HE ARG 66 HE ARG 66 25.520 1.981 -5.021 515 1HH1 ARG 66 1HH1 ARG 66 26.726 3.248 -8.048 516 2HH1 ARG 66 2HH1 ARG 66 28.136 2.237 -8.055 517 1HH2 ARG 66 1HH2 ARG 66 27.372 0.672 -5.007 518 2HH2 ARG 66 2HH2 ARG 66 28.509 0.769 -6.319 519 H ASN 67 H ASN 67 19.517 4.434 -6.867 520 HA ASN 67 HA ASN 67 18.982 7.113 -7.579 521 1HB ASN 67 2HB ASN 67 18.258 5.288 -9.016 522 2HB ASN 67 1HB ASN 67 17.223 4.645 -7.746 523 1HD2 ASN 67 1HD2 ASN 67 15.274 5.661 -7.293 524 2HD2 ASN 67 2HD2 ASN 67 14.577 6.846 -8.341 525 H ILE 68 H ILE 68 17.223 4.892 -5.412 526 HA ILE 68 HA ILE 68 15.296 6.658 -4.456 527 HB ILE 68 HB ILE 68 16.620 4.493 -2.793 528 1HG1 ILE 68 2HG1 ILE 68 14.236 4.192 -4.649 529 2HG1 ILE 68 1HG1 ILE 68 15.863 3.644 -5.032 530 1HG2 ILE 68 1HG2 ILE 68 15.164 5.988 -1.530 531 2HG2 ILE 68 2HG2 ILE 68 14.435 4.388 -1.663 532 3HG2 ILE 68 3HG2 ILE 68 13.852 5.709 -2.677 533 1HD1 ILE 68 1HD1 ILE 68 15.790 2.106 -3.126 534 2HD1 ILE 68 2HD1 ILE 68 14.482 1.805 -4.271 535 3HD1 ILE 68 3HD1 ILE 68 14.151 2.650 -2.759 536 H TYR 69 H TYR 69 18.585 6.036 -3.341 537 HA TYR 69 HA TYR 69 18.625 7.574 -1.026 538 1HB TYR 69 2HB TYR 69 20.453 6.053 -1.668 539 2HB TYR 69 1HB TYR 69 20.874 7.112 -3.007 540 HD1 TYR 69 1HD TYR 69 20.975 6.695 0.647 541 HD2 TYR 69 2HD TYR 69 22.074 9.204 -2.617 542 HE1 TYR 69 1HE TYR 69 22.496 7.942 2.121 543 HE2 TYR 69 2HE TYR 69 23.597 10.450 -1.154 544 HH TYR 69 HH TYR 69 23.906 10.916 1.224 545 H GLN 70 H GLN 70 19.893 8.567 -4.212 546 HA GLN 70 HA GLN 70 20.272 11.255 -3.436 547 1HB GLN 70 2HB GLN 70 20.164 9.959 -6.160 548 2HB GLN 70 1HB GLN 70 20.579 11.651 -5.910 549 1HG GLN 70 2HG GLN 70 22.501 10.998 -4.562 550 2HG GLN 70 1HG GLN 70 22.080 9.299 -4.758 551 1HE2 GLN 70 1HE2 GLN 70 24.035 8.810 -5.748 552 2HE2 GLN 70 2HE2 GLN 70 24.423 9.322 -7.352 553 H GLU 71 H GLU 71 17.453 9.598 -4.271 554 HA GLU 71 HA GLU 71 16.083 11.847 -5.461 555 1HB GLU 71 2HB GLU 71 15.732 9.348 -6.011 556 2HB GLU 71 1HB GLU 71 14.815 9.274 -4.514 557 1HG GLU 71 2HG GLU 71 13.213 9.551 -6.186 558 2HG GLU 71 1HG GLU 71 13.392 11.153 -5.474 559 H PHE 72 H PHE 72 15.480 9.832 -2.573 560 HA PHE 72 HA PHE 72 13.964 12.090 -1.419 561 1HB PHE 72 2HB PHE 72 13.704 9.131 -0.816 562 2HB PHE 72 1HB PHE 72 12.718 10.415 -0.125 563 HD1 PHE 72 1HD PHE 72 12.954 8.007 -2.700 564 HD2 PHE 72 2HD PHE 72 11.391 11.878 -1.835 565 HE1 PHE 72 1HE PHE 72 11.346 7.768 -4.545 566 HE2 PHE 72 2HE PHE 72 9.783 11.639 -3.680 567 HZ PHE 72 HZ PHE 72 9.757 9.584 -5.037 568 H LEU 73 H LEU 73 16.559 9.813 -0.837 569 HA LEU 73 HA LEU 73 16.576 10.474 2.022 570 1HB LEU 73 2HB LEU 73 17.962 8.292 0.468 571 2HB LEU 73 1HB LEU 73 18.158 8.551 2.191 572 HG LEU 73 HG LEU 73 15.505 7.935 0.873 573 1HD1 LEU 73 1HD1 LEU 73 17.037 6.038 0.644 574 2HD1 LEU 73 2HD1 LEU 73 15.760 5.683 1.807 575 3HD1 LEU 73 3HD1 LEU 73 17.381 6.092 2.373 576 1HD2 LEU 73 1HD2 LEU 73 14.769 7.501 3.167 577 2HD2 LEU 73 2HD2 LEU 73 15.305 9.167 2.962 578 3HD2 LEU 73 3HD2 LEU 73 16.348 7.998 3.773 579 H SER 74 H SER 74 17.982 11.700 -0.677 580 HA SER 74 HA SER 74 20.673 11.995 0.167 581 1HB SER 74 2HB SER 74 20.607 13.973 -1.477 582 2HB SER 74 1HB SER 74 20.257 12.377 -2.122 583 HG SER 74 HG SER 74 18.603 13.487 -2.890 584 H SER 75 H SER 75 21.608 14.246 0.629 585 HA SER 75 HA SER 75 20.752 15.055 3.152 586 1HB SER 75 2HB SER 75 23.047 15.404 2.244 587 2HB SER 75 1HB SER 75 22.414 16.665 1.187 588 HG SER 75 HG SER 75 22.916 17.882 2.841 589 H GLN 76 H GLN 76 20.472 16.863 0.085 590 HA GLN 76 HA GLN 76 18.533 18.684 1.218 591 1HB GLN 76 2HB GLN 76 20.193 19.436 -0.470 592 2HB GLN 76 1HB GLN 76 19.461 18.361 -1.653 593 1HG GLN 76 2HG GLN 76 18.690 20.602 -2.039 594 2HG GLN 76 1HG GLN 76 17.346 19.628 -1.446 595 1HE2 GLN 76 1HE2 GLN 76 16.190 21.368 -0.678 596 2HE2 GLN 76 2HE2 GLN 76 16.679 22.290 0.699 597 H ALA 77 H ALA 77 18.495 16.483 -1.579 598 HA ALA 77 HA ALA 77 16.944 15.098 -2.452 599 1HB ALA 77 1HB ALA 77 15.321 14.045 -0.975 600 2HB ALA 77 2HB ALA 77 15.632 15.264 0.262 601 3HB ALA 77 3HB ALA 77 16.903 14.131 -0.201 602 H LEU 78 H LEU 78 14.786 14.956 -3.296 603 HA LEU 78 HA LEU 78 13.532 17.494 -3.775 604 1HB LEU 78 2HB LEU 78 12.684 14.662 -4.442 605 2HB LEU 78 1HB LEU 78 11.768 16.081 -4.912 606 HG LEU 78 HG LEU 78 13.731 16.858 -6.245 607 1HD1 LEU 78 1HD1 LEU 78 14.863 14.135 -5.591 608 2HD1 LEU 78 2HD1 LEU 78 15.516 15.690 -5.074 609 3HD1 LEU 78 3HD1 LEU 78 15.510 15.261 -6.785 610 1HD2 LEU 78 1HD2 LEU 78 12.657 14.127 -6.957 611 2HD2 LEU 78 2HD2 LEU 78 13.408 15.266 -8.074 612 3HD2 LEU 78 3HD2 LEU 78 11.879 15.672 -7.297 613 H SER 79 H SER 79 12.830 14.613 -1.902 614 HA SER 79 HA SER 79 11.341 16.133 0.038 615 1HB SER 79 2HB SER 79 9.555 15.606 -1.564 616 2HB SER 79 1HB SER 79 9.999 13.901 -1.529 617 HG SER 79 HG SER 79 9.292 15.260 0.845 618 HA PRO 80 HA PRO 80 13.700 12.819 2.134 619 1HB PRO 80 2HB PRO 80 13.352 14.598 4.457 620 2HB PRO 80 1HB PRO 80 14.841 14.004 3.718 621 1HG PRO 80 2HG PRO 80 14.089 16.581 3.522 622 2HG PRO 80 1HG PRO 80 14.950 15.752 2.210 623 1HD PRO 80 2HD PRO 80 12.015 16.339 2.475 624 2HD PRO 80 1HD PRO 80 13.073 16.503 1.055 625 H VAL 81 H VAL 81 11.044 12.411 1.606 626 HA VAL 81 HA VAL 81 8.874 12.245 2.429 627 HB VAL 81 HB VAL 81 8.885 10.022 3.842 628 1HG1 VAL 81 1HG1 VAL 81 9.106 8.734 1.780 629 2HG1 VAL 81 2HG1 VAL 81 9.872 10.114 0.985 630 3HG1 VAL 81 3HG1 VAL 81 8.186 10.215 1.498 631 1HG2 VAL 81 1HG2 VAL 81 11.698 10.044 2.731 632 2HG2 VAL 81 2HG2 VAL 81 10.895 8.676 3.502 633 3HG2 VAL 81 3HG2 VAL 81 11.271 10.120 4.440 634 H ASN 82 H ASN 82 9.896 10.787 5.391 635 HA ASN 82 HA ASN 82 9.798 13.027 7.097 636 1HB ASN 82 2HB ASN 82 7.378 12.964 6.401 637 2HB ASN 82 1HB ASN 82 7.265 11.345 7.082 638 1HD2 ASN 82 1HD2 ASN 82 5.690 11.991 8.568 639 2HD2 ASN 82 2HD2 ASN 82 6.068 12.961 9.944 640 H ILE 83 H ILE 83 11.665 11.355 7.137 641 HA ILE 83 HA ILE 83 11.223 9.462 9.337 642 HB ILE 83 HB ILE 83 12.460 7.684 8.182 643 1HG1 ILE 83 2HG1 ILE 83 12.478 9.625 5.851 644 2HG1 ILE 83 1HG1 ILE 83 13.876 8.998 6.719 645 1HG2 ILE 83 1HG2 ILE 83 10.770 7.010 6.560 646 2HG2 ILE 83 2HG2 ILE 83 10.137 8.656 6.513 647 3HG2 ILE 83 3HG2 ILE 83 10.018 7.708 7.994 648 1HD1 ILE 83 1HD1 ILE 83 13.632 7.921 4.571 649 2HD1 ILE 83 2HD1 ILE 83 12.002 7.401 4.989 650 3HD1 ILE 83 3HD1 ILE 83 13.388 6.761 5.873 651 H ASP 84 H ASP 84 13.598 8.416 9.756 652 HA ASP 84 HA ASP 84 15.344 10.743 10.143 653 1HB ASP 84 2HB ASP 84 16.492 9.370 11.843 654 2HB ASP 84 1HB ASP 84 14.776 9.537 12.179 655 H ARG 85 H ARG 85 17.046 11.017 8.907 656 HA ARG 85 HA ARG 85 18.010 8.777 7.250 657 1HB ARG 85 2HB ARG 85 18.257 11.762 6.873 658 2HB ARG 85 1HB ARG 85 18.967 10.571 5.803 659 1HG ARG 85 2HG ARG 85 16.835 9.837 5.058 660 2HG ARG 85 1HG ARG 85 16.007 10.743 6.328 661 1HD ARG 85 2HD ARG 85 17.650 12.014 4.130 662 2HD ARG 85 1HD ARG 85 15.897 11.817 4.071 663 HE ARG 85 HE ARG 85 16.105 13.130 6.340 664 1HH1 ARG 85 1HH1 ARG 85 17.840 13.759 3.344 665 2HH1 ARG 85 2HH1 ARG 85 17.966 15.463 3.645 666 1HH2 ARG 85 1HH2 ARG 85 16.262 15.351 6.707 667 2HH2 ARG 85 2HH2 ARG 85 17.072 16.369 5.555 668 H GLN 86 H GLN 86 18.933 10.981 9.751 669 HA GLN 86 HA GLN 86 21.720 11.051 9.235 670 1HB GLN 86 2HB GLN 86 20.650 12.749 10.616 671 2HB GLN 86 1HB GLN 86 20.198 11.536 11.804 672 1HG GLN 86 2HG GLN 86 22.085 12.778 12.609 673 2HG GLN 86 1HG GLN 86 22.583 11.125 12.267 674 1HE2 GLN 86 1HE2 GLN 86 24.156 13.571 12.480 675 2HE2 GLN 86 2HE2 GLN 86 25.015 13.722 10.988 676 H ALA 87 H ALA 87 19.738 9.051 11.399 677 HA ALA 87 HA ALA 87 22.043 7.442 12.162 678 1HB ALA 87 1HB ALA 87 19.130 7.153 12.906 679 2HB ALA 87 2HB ALA 87 20.357 8.002 13.848 680 3HB ALA 87 3HB ALA 87 20.474 6.258 13.613 681 H TRP 88 H TRP 88 20.710 7.573 9.384 682 HA TRP 88 HA TRP 88 19.658 4.975 8.881 683 1HB TRP 88 2HB TRP 88 19.286 7.108 7.502 684 2HB TRP 88 1HB TRP 88 20.885 6.826 6.821 685 HD1 TRP 88 HD TRP 88 17.716 4.659 7.329 686 HE1 TRP 88 1HE TRP 88 17.306 3.313 5.174 687 HE3 TRP 88 3HE TRP 88 21.662 6.362 4.580 688 HZ2 TRP 88 2HZ TRP 88 18.509 3.037 2.622 689 HZ3 TRP 88 3HZ TRP 88 21.962 5.521 2.288 690 HH2 TRP 88 HH TRP 88 20.419 3.892 1.331 691 H LEU 89 H LEU 89 20.748 3.478 7.255 692 HA LEU 89 HA LEU 89 23.141 2.527 8.364 693 1HB LEU 89 2HB LEU 89 22.083 1.918 5.600 694 2HB LEU 89 1HB LEU 89 23.234 0.961 6.507 695 HG LEU 89 HG LEU 89 21.210 0.870 8.254 696 1HD1 LEU 89 1HD1 LEU 89 19.805 1.138 5.590 697 2HD1 LEU 89 2HD1 LEU 89 19.730 2.297 6.920 698 3HD1 LEU 89 3HD1 LEU 89 19.064 0.677 7.125 699 1HD2 LEU 89 1HD2 LEU 89 20.573 -1.286 7.270 700 2HD2 LEU 89 2HD2 LEU 89 22.323 -1.068 7.302 701 3HD2 LEU 89 3HD2 LEU 89 21.436 -0.861 5.791 702 H GLY 90 H GLY 90 22.535 4.522 5.520 703 1HA GLY 90 2HA GLY 90 23.950 6.288 4.869 704 2HA GLY 90 1HA GLY 90 25.277 5.514 5.718 705 H GLU 91 H GLU 91 26.662 5.718 4.008 706 HA GLU 91 HA GLU 91 26.096 5.091 1.321 707 1HB GLU 91 2HB GLU 91 28.776 5.194 2.723 708 2HB GLU 91 1HB GLU 91 28.510 5.300 0.986 709 1HG GLU 91 2HG GLU 91 27.443 7.416 1.190 710 2HG GLU 91 1HG GLU 91 27.364 7.278 2.946 711 H GLU 92 H GLU 92 26.794 3.116 4.000 712 HA GLU 92 HA GLU 92 28.180 0.971 2.851 713 1HB GLU 92 2HB GLU 92 27.913 1.353 5.280 714 2HB GLU 92 1HB GLU 92 26.202 0.979 5.148 715 1HG GLU 92 2HG GLU 92 26.697 -1.303 4.552 716 2HG GLU 92 1HG GLU 92 28.426 -0.953 4.513 717 H VAL 93 H VAL 93 24.875 1.958 2.742 718 HA VAL 93 HA VAL 93 23.741 -0.490 1.872 719 HB VAL 93 HB VAL 93 22.761 2.356 1.551 720 1HG1 VAL 93 1HG1 VAL 93 21.258 -0.223 1.066 721 2HG1 VAL 93 2HG1 VAL 93 21.767 0.929 -0.169 722 3HG1 VAL 93 3HG1 VAL 93 20.566 1.400 1.033 723 1HG2 VAL 93 1HG2 VAL 93 21.980 0.190 3.508 724 2HG2 VAL 93 2HG2 VAL 93 21.242 1.787 3.391 725 3HG2 VAL 93 3HG2 VAL 93 22.931 1.630 3.871 726 H LEU 94 H LEU 94 25.023 2.353 0.232 727 HA LEU 94 HA LEU 94 24.175 1.489 -2.372 728 1HB LEU 94 2HB LEU 94 26.117 3.680 -1.614 729 2HB LEU 94 1HB LEU 94 25.408 3.440 -3.198 730 HG LEU 94 HG LEU 94 24.124 5.171 -2.348 731 1HD1 LEU 94 1HD1 LEU 94 22.588 2.724 -1.485 732 2HD1 LEU 94 2HD1 LEU 94 22.673 3.368 -3.125 733 3HD1 LEU 94 3HD1 LEU 94 21.913 4.314 -1.848 734 1HD2 LEU 94 1HD2 LEU 94 25.022 5.245 -0.110 735 2HD2 LEU 94 2HD2 LEU 94 24.120 3.798 0.340 736 3HD2 LEU 94 3HD2 LEU 94 23.261 5.291 -0.042 737 H ALA 95 H ALA 95 26.934 1.050 -0.377 738 HA ALA 95 HA ALA 95 28.718 0.165 -2.446 739 1HB ALA 95 1HB ALA 95 28.831 -0.280 0.543 740 2HB ALA 95 2HB ALA 95 29.571 1.061 -0.332 741 3HB ALA 95 3HB ALA 95 30.142 -0.586 -0.599 742 H GLU 96 H GLU 96 27.023 -1.550 0.197 743 HA GLU 96 HA GLU 96 26.904 -3.949 -1.525 744 1HB GLU 96 2HB GLU 96 27.286 -3.894 1.484 745 2HB GLU 96 1HB GLU 96 27.145 -5.336 0.491 746 1HG GLU 96 2HG GLU 96 29.373 -3.308 0.363 747 2HG GLU 96 1HG GLU 96 29.456 -4.899 1.116 748 HA PRO 97 HA PRO 97 22.604 -2.962 -0.336 749 1HB PRO 97 2HB PRO 97 21.452 -3.425 -2.704 750 2HB PRO 97 1HB PRO 97 22.415 -1.967 -2.430 751 1HG PRO 97 2HG PRO 97 23.158 -4.485 -3.867 752 2HG PRO 97 1HG PRO 97 23.548 -2.804 -4.275 753 1HD PRO 97 2HD PRO 97 25.249 -4.586 -2.960 754 2HD PRO 97 1HD PRO 97 25.421 -2.821 -2.970 755 H ARG 98 H ARG 98 20.531 -4.261 -0.666 756 HA ARG 98 HA ARG 98 20.682 -7.057 -1.219 757 1HB ARG 98 2HB ARG 98 20.333 -7.934 0.994 758 2HB ARG 98 1HB ARG 98 21.763 -6.914 1.059 759 1HG ARG 98 2HG ARG 98 20.262 -5.075 1.940 760 2HG ARG 98 1HG ARG 98 19.007 -6.306 2.102 761 1HD ARG 98 2HD ARG 98 21.704 -6.272 3.459 762 2HD ARG 98 1HD ARG 98 20.132 -6.033 4.219 763 HE ARG 98 HE ARG 98 19.933 -8.497 3.073 764 1HH1 ARG 98 1HH1 ARG 98 22.193 -7.025 5.304 765 2HH1 ARG 98 2HH1 ARG 98 22.588 -8.520 6.090 766 1HH2 ARG 98 1HH2 ARG 98 20.468 -10.475 4.087 767 2HH2 ARG 98 2HH2 ARG 98 21.623 -10.491 5.385 768 HA PRO 99 HA PRO 99 16.454 -6.471 -2.126 769 1HB PRO 99 2HB PRO 99 15.194 -8.624 -0.882 770 2HB PRO 99 1HB PRO 99 15.994 -8.676 -2.455 771 1HG PRO 99 2HG PRO 99 17.042 -9.482 0.232 772 2HG PRO 99 1HG PRO 99 17.246 -10.283 -1.338 773 1HD PRO 99 2HD PRO 99 19.217 -8.822 -0.281 774 2HD PRO 99 1HD PRO 99 18.894 -8.778 -2.028 775 H ASP 100 H ASP 100 17.051 -7.177 1.290 776 HA ASP 100 HA ASP 100 14.783 -5.415 1.989 777 1HB ASP 100 2HB ASP 100 14.523 -7.810 2.702 778 2HB ASP 100 1HB ASP 100 15.954 -7.622 3.709 779 H MET 101 H MET 101 15.654 -3.480 2.371 780 HA MET 101 HA MET 101 17.897 -3.273 4.263 781 1HB MET 101 2HB MET 101 18.844 -3.115 1.985 782 2HB MET 101 1HB MET 101 17.727 -1.813 1.610 783 1HG MET 101 2HG MET 101 19.844 -0.840 2.072 784 2HG MET 101 1HG MET 101 18.781 -0.469 3.426 785 1HE MET 101 1HE MET 101 22.011 -2.248 2.217 786 2HE MET 101 2HE MET 101 20.948 -3.641 2.409 787 3HE MET 101 3HE MET 101 22.319 -3.425 3.495 788 H PHE 102 H PHE 102 15.411 -1.512 2.437 789 HA PHE 102 HA PHE 102 15.515 0.744 4.270 790 1HB PHE 102 2HB PHE 102 13.859 0.236 1.783 791 2HB PHE 102 1HB PHE 102 13.777 1.712 2.733 792 HD1 PHE 102 1HD PHE 102 17.023 0.080 2.253 793 HD2 PHE 102 2HD PHE 102 14.332 3.028 0.758 794 HE1 PHE 102 1HE PHE 102 18.819 1.019 0.874 795 HE2 PHE 102 2HE PHE 102 16.140 3.978 -0.611 796 HZ PHE 102 HZ PHE 102 18.384 2.973 -0.561 797 H ARG 103 H ARG 103 14.326 -2.078 4.833 798 HA ARG 103 HA ARG 103 11.572 -2.070 4.915 799 1HB ARG 103 2HB ARG 103 13.114 -4.006 5.374 800 2HB ARG 103 1HB ARG 103 13.365 -3.353 6.987 801 1HG ARG 103 2HG ARG 103 10.997 -3.644 7.495 802 2HG ARG 103 1HG ARG 103 10.710 -4.247 5.859 803 1HD ARG 103 2HD ARG 103 12.427 -6.050 6.376 804 2HD ARG 103 1HD ARG 103 12.329 -5.527 8.056 805 HE ARG 103 HE ARG 103 10.020 -6.223 8.077 806 1HH1 ARG 103 1HH1 ARG 103 11.861 -7.201 5.264 807 2HH1 ARG 103 2HH1 ARG 103 10.822 -8.544 4.894 808 1HH2 ARG 103 1HH2 ARG 103 8.660 -8.006 7.600 809 2HH2 ARG 103 2HH2 ARG 103 9.019 -9.013 6.227 810 H ALA 104 H ALA 104 13.770 -1.178 7.585 811 HA ALA 104 HA ALA 104 11.902 -0.525 9.508 812 1HB ALA 104 1HB ALA 104 14.311 -0.653 9.936 813 2HB ALA 104 2HB ALA 104 13.631 0.860 10.538 814 3HB ALA 104 3HB ALA 104 14.553 0.844 9.033 815 H GLN 105 H GLN 105 13.240 1.574 6.982 816 HA GLN 105 HA GLN 105 11.871 3.927 7.764 817 1HB GLN 105 2HB GLN 105 13.130 3.073 5.159 818 2HB GLN 105 1HB GLN 105 12.369 4.645 5.365 819 1HG GLN 105 2HG GLN 105 13.942 5.182 7.157 820 2HG GLN 105 1HG GLN 105 14.700 3.598 6.966 821 1HE2 GLN 105 1HE2 GLN 105 14.530 3.566 4.087 822 2HE2 GLN 105 2HE2 GLN 105 15.693 4.701 3.507 823 H GLN 106 H GLN 106 11.049 1.259 5.637 824 HA GLN 106 HA GLN 106 8.920 2.551 4.289 825 1HB GLN 106 2HB GLN 106 9.549 -0.385 4.633 826 2HB GLN 106 1HB GLN 106 8.278 0.232 3.583 827 1HG GLN 106 2HG GLN 106 11.245 0.684 3.331 828 2HG GLN 106 1HG GLN 106 10.196 -0.231 2.247 829 1HE2 GLN 106 1HE2 GLN 106 11.932 1.990 1.596 830 2HE2 GLN 106 2HE2 GLN 106 10.921 3.222 0.930 831 H LEU 107 H LEU 107 9.056 0.619 7.234 832 HA LEU 107 HA LEU 107 6.246 0.372 7.544 833 1HB LEU 107 2HB LEU 107 8.567 0.126 9.432 834 2HB LEU 107 1HB LEU 107 6.929 0.142 10.061 835 HG LEU 107 HG LEU 107 6.401 -1.814 8.587 836 1HD1 LEU 107 1HD1 LEU 107 8.225 -3.109 7.629 837 2HD1 LEU 107 2HD1 LEU 107 9.378 -1.863 8.109 838 3HD1 LEU 107 3HD1 LEU 107 8.137 -1.502 6.909 839 1HD2 LEU 107 1HD2 LEU 107 6.929 -2.115 10.950 840 2HD2 LEU 107 2HD2 LEU 107 8.649 -2.209 10.569 841 3HD2 LEU 107 3HD2 LEU 107 7.547 -3.461 9.993 842 H GLN 108 H GLN 108 8.571 2.840 8.494 843 HA GLN 108 HA GLN 108 6.832 4.424 10.050 844 1HB GLN 108 2HB GLN 108 9.215 4.821 10.127 845 2HB GLN 108 1HB GLN 108 9.269 5.174 8.406 846 1HG GLN 108 2HG GLN 108 9.437 7.204 9.729 847 2HG GLN 108 1HG GLN 108 7.968 7.199 8.757 848 1HE2 GLN 108 1HE2 GLN 108 6.977 8.706 10.086 849 2HE2 GLN 108 2HE2 GLN 108 6.399 8.316 11.666 850 H ILE 109 H ILE 109 7.600 4.446 6.594 851 HA ILE 109 HA ILE 109 5.943 6.621 5.884 852 HB ILE 109 HB ILE 109 7.086 4.325 4.292 853 1HG1 ILE 109 2HG1 ILE 109 8.714 5.959 5.044 854 2HG1 ILE 109 1HG1 ILE 109 8.479 6.144 3.314 855 1HG2 ILE 109 1HG2 ILE 109 5.007 4.945 3.195 856 2HG2 ILE 109 2HG2 ILE 109 6.389 5.482 2.240 857 3HG2 ILE 109 3HG2 ILE 109 5.483 6.643 3.212 858 1HD1 ILE 109 1HD1 ILE 109 8.637 8.294 4.426 859 2HD1 ILE 109 2HD1 ILE 109 7.263 7.882 5.450 860 3HD1 ILE 109 3HD1 ILE 109 7.042 8.073 3.709 861 H PHE 110 H PHE 110 5.415 3.117 5.630 862 HA PHE 110 HA PHE 110 2.834 3.142 4.617 863 1HB PHE 110 2HB PHE 110 4.156 1.103 4.711 864 2HB PHE 110 1HB PHE 110 4.162 1.133 6.466 865 HD1 PHE 110 1HD PHE 110 2.316 0.225 3.486 866 HD2 PHE 110 2HD PHE 110 2.073 0.613 7.720 867 HE1 PHE 110 1HE PHE 110 0.284 -1.158 3.494 868 HE2 PHE 110 2HE PHE 110 0.041 -0.772 7.731 869 HZ PHE 110 HZ PHE 110 -0.859 -1.658 5.617 870 H ASN 111 H ASN 111 3.875 3.041 8.019 871 HA ASN 111 HA ASN 111 1.205 3.005 9.031 872 1HB ASN 111 2HB ASN 111 3.891 3.397 10.355 873 2HB ASN 111 1HB ASN 111 2.380 3.438 11.259 874 1HD2 ASN 111 1HD2 ASN 111 4.670 1.571 11.377 875 2HD2 ASN 111 2HD2 ASN 111 3.986 0.002 11.139 876 H LEU 112 H LEU 112 3.245 5.511 7.937 877 HA LEU 112 HA LEU 112 2.211 7.625 9.563 878 1HB LEU 112 2HB LEU 112 4.390 7.754 8.404 879 2HB LEU 112 1HB LEU 112 3.563 7.741 6.859 880 HG LEU 112 HG LEU 112 2.481 9.903 7.456 881 1HD1 LEU 112 1HD1 LEU 112 4.315 9.803 9.854 882 2HD1 LEU 112 2HD1 LEU 112 2.554 9.712 9.885 883 3HD1 LEU 112 3HD1 LEU 112 3.350 11.191 9.351 884 1HD2 LEU 112 1HD2 LEU 112 4.510 9.856 6.097 885 2HD2 LEU 112 2HD2 LEU 112 5.501 9.906 7.556 886 3HD2 LEU 112 3HD2 LEU 112 4.477 11.280 7.136 887 H MET 113 H MET 113 1.777 6.994 6.075 888 HA MET 113 HA MET 113 -0.496 8.715 5.878 889 1HB MET 113 2HB MET 113 -0.716 7.703 3.577 890 2HB MET 113 1HB MET 113 0.839 8.444 3.922 891 1HG MET 113 2HG MET 113 1.824 6.258 4.309 892 2HG MET 113 1HG MET 113 0.260 5.489 4.046 893 1HE MET 113 1HE MET 113 3.157 4.934 2.527 894 2HE MET 113 2HE MET 113 2.565 4.597 0.899 895 3HE MET 113 3HE MET 113 1.729 3.922 2.299 896 H LYS 114 H LYS 114 -0.110 5.575 6.996 897 HA LYS 114 HA LYS 114 -2.331 4.151 6.221 898 1HB LYS 114 2HB LYS 114 -0.561 3.194 7.579 899 2HB LYS 114 1HB LYS 114 -0.973 4.246 8.924 900 1HG LYS 114 2HG LYS 114 -3.184 3.107 9.062 901 2HG LYS 114 1HG LYS 114 -2.630 1.984 7.816 902 1HD LYS 114 2HD LYS 114 -0.818 1.234 9.250 903 2HD LYS 114 1HD LYS 114 -1.255 2.428 10.474 904 1HE LYS 114 2HE LYS 114 -3.464 1.308 10.702 905 2HE LYS 114 1HE LYS 114 -2.910 0.066 9.578 906 1HZ LYS 114 1HZ LYS 114 -1.538 0.707 12.130 907 2HZ LYS 114 2HZ LYS 114 -1.237 -0.607 11.112 908 3HZ LYS 114 3HZ LYS 114 -2.690 -0.516 11.969 909 H PHE 115 H PHE 115 -2.137 6.588 8.819 910 HA PHE 115 HA PHE 115 -4.968 6.087 9.435 911 1HB PHE 115 2HB PHE 115 -4.529 7.306 11.546 912 2HB PHE 115 1HB PHE 115 -3.493 5.901 11.345 913 HD1 PHE 115 1HD PHE 115 -3.590 9.598 11.246 914 HD2 PHE 115 2HD PHE 115 -1.122 6.125 11.233 915 HE1 PHE 115 1HE PHE 115 -1.612 11.004 11.645 916 HE2 PHE 115 2HE PHE 115 0.858 7.530 11.630 917 HZ PHE 115 HZ PHE 115 0.615 9.971 11.838 918 H ASP 116 H ASP 116 -3.704 7.927 7.227 919 HA ASP 116 HA ASP 116 -5.394 10.237 7.845 920 1HB ASP 116 2HB ASP 116 -3.145 10.838 8.671 921 2HB ASP 116 1HB ASP 116 -2.482 10.544 7.065 922 H SER 117 H SER 117 -2.902 9.667 5.359 923 HA SER 117 HA SER 117 -4.432 10.676 3.254 924 1HB SER 117 2HB SER 117 -2.253 8.587 3.002 925 2HB SER 117 1HB SER 117 -2.728 9.791 1.803 926 HG SER 117 HG SER 117 -1.760 11.356 2.949 927 H TYR 118 H TYR 118 -3.988 7.348 4.396 928 HA TYR 118 HA TYR 118 -5.641 6.045 2.537 929 1HB TYR 118 2HB TYR 118 -4.310 4.646 3.878 930 2HB TYR 118 1HB TYR 118 -4.811 5.436 5.366 931 HD1 TYR 118 1HD TYR 118 -6.195 3.329 2.590 932 HD2 TYR 118 2HD TYR 118 -6.428 4.424 6.702 933 HE1 TYR 118 1HE TYR 118 -7.870 1.566 2.966 934 HE2 TYR 118 2HE TYR 118 -8.098 2.666 7.082 935 HH TYR 118 HH TYR 118 -9.807 1.405 5.659 936 H ALA 119 H ALA 119 -6.392 7.344 5.762 937 HA ALA 119 HA ALA 119 -9.105 6.679 5.841 938 1HB ALA 119 1HB ALA 119 -9.307 8.392 7.572 939 2HB ALA 119 2HB ALA 119 -7.748 9.069 7.100 940 3HB ALA 119 3HB ALA 119 -7.832 7.450 7.793 941 H ARG 120 H ARG 120 -7.426 9.271 4.269 942 HA ARG 120 HA ARG 120 -9.795 10.799 3.663 943 1HB ARG 120 2HB ARG 120 -7.736 11.970 4.097 944 2HB ARG 120 1HB ARG 120 -6.899 11.069 2.843 945 1HG ARG 120 2HG ARG 120 -7.926 12.261 1.124 946 2HG ARG 120 1HG ARG 120 -9.238 12.821 2.164 947 1HD ARG 120 2HD ARG 120 -7.462 14.539 1.549 948 2HD ARG 120 1HD ARG 120 -7.845 14.381 3.262 949 HE ARG 120 HE ARG 120 -5.403 13.388 1.933 950 1HH1 ARG 120 1HH1 ARG 120 -7.151 14.195 4.863 951 2HH1 ARG 120 2HH1 ARG 120 -5.758 14.065 5.883 952 1HH2 ARG 120 1HH2 ARG 120 -3.575 13.200 3.280 953 2HH2 ARG 120 2HH2 ARG 120 -3.731 13.482 4.989 954 H PHE 121 H PHE 121 -7.712 8.474 2.016 955 HA PHE 121 HA PHE 121 -8.571 8.869 -0.613 956 1HB PHE 121 2HB PHE 121 -6.679 7.408 -0.134 957 2HB PHE 121 1HB PHE 121 -7.723 6.287 0.737 958 HD1 PHE 121 1HD PHE 121 -6.921 7.653 -2.601 959 HD2 PHE 121 2HD PHE 121 -9.012 4.646 -0.426 960 HE1 PHE 121 1HE PHE 121 -7.373 6.461 -4.700 961 HE2 PHE 121 2HE PHE 121 -9.460 3.442 -2.524 962 HZ PHE 121 HZ PHE 121 -8.641 4.347 -4.664 963 H VAL 122 H VAL 122 -9.788 6.520 1.773 964 HA VAL 122 HA VAL 122 -11.949 5.639 0.158 965 HB VAL 122 HB VAL 122 -12.822 4.570 2.196 966 1HG1 VAL 122 1HG1 VAL 122 -11.047 3.453 0.941 967 2HG1 VAL 122 2HG1 VAL 122 -10.902 3.116 2.666 968 3HG1 VAL 122 3HG1 VAL 122 -9.825 4.287 1.904 969 1HG2 VAL 122 1HG2 VAL 122 -12.327 6.347 3.808 970 2HG2 VAL 122 2HG2 VAL 122 -10.599 6.036 3.636 971 3HG2 VAL 122 3HG2 VAL 122 -11.651 4.808 4.342 972 H LYS 123 H LYS 123 -11.460 8.484 1.888 973 HA LYS 123 HA LYS 123 -14.284 9.051 2.350 974 1HB LYS 123 2HB LYS 123 -12.510 9.667 4.013 975 2HB LYS 123 1HB LYS 123 -11.852 10.795 2.838 976 1HG LYS 123 2HG LYS 123 -14.017 12.013 2.864 977 2HG LYS 123 1HG LYS 123 -14.574 10.923 4.134 978 1HD LYS 123 2HD LYS 123 -12.235 12.834 4.284 979 2HD LYS 123 1HD LYS 123 -13.779 12.988 5.123 980 1HE LYS 123 2HE LYS 123 -11.754 10.783 5.547 981 2HE LYS 123 1HE LYS 123 -12.008 12.162 6.611 982 1HZ LYS 123 1HZ LYS 123 -13.126 10.207 7.448 983 2HZ LYS 123 2HZ LYS 123 -14.001 10.039 6.013 984 3HZ LYS 123 3HZ LYS 123 -14.268 11.375 7.013 985 H SER 124 H SER 124 -11.836 9.575 -0.003 986 HA SER 124 HA SER 124 -12.819 12.007 -1.112 987 1HB SER 124 2HB SER 124 -11.028 9.884 -2.331 988 2HB SER 124 1HB SER 124 -11.292 11.499 -2.994 989 HG SER 124 HG SER 124 -10.465 11.292 -0.335 990 HA PRO 125 HA PRO 125 -16.332 10.573 -3.378 991 1HB PRO 125 2HB PRO 125 -15.594 12.593 -5.429 992 2HB PRO 125 1HB PRO 125 -17.087 12.426 -4.497 993 1HG PRO 125 2HG PRO 125 -15.345 14.368 -3.943 994 2HG PRO 125 1HG PRO 125 -16.211 13.521 -2.646 995 1HD PRO 125 2HD PRO 125 -13.384 13.156 -3.591 996 2HD PRO 125 1HD PRO 125 -14.024 13.189 -1.932 997 H LEU 126 H LEU 126 -13.189 10.784 -4.853 998 HA LEU 126 HA LEU 126 -13.638 9.621 -7.345 999 1HB LEU 126 2HB LEU 126 -11.465 10.574 -6.122 1000 2HB LEU 126 1HB LEU 126 -11.186 8.879 -5.787 1001 HG LEU 126 HG LEU 126 -11.500 10.059 -8.560 1002 1HD1 LEU 126 1HD1 LEU 126 -9.461 10.853 -7.484 1003 2HD1 LEU 126 2HD1 LEU 126 -9.092 9.721 -8.784 1004 3HD1 LEU 126 3HD1 LEU 126 -9.001 9.192 -7.103 1005 1HD2 LEU 126 1HD2 LEU 126 -10.669 7.294 -7.669 1006 2HD2 LEU 126 2HD2 LEU 126 -10.625 7.892 -9.328 1007 3HD2 LEU 126 3HD2 LEU 126 -12.168 7.724 -8.495 1008 H TYR 127 H TYR 127 -13.570 8.243 -4.159 1009 HA TYR 127 HA TYR 127 -13.233 5.541 -4.603 1010 1HB TYR 127 2HB TYR 127 -13.450 6.625 -2.387 1011 2HB TYR 127 1HB TYR 127 -15.162 6.879 -2.682 1012 HD1 TYR 127 1HD TYR 127 -16.676 5.321 -1.859 1013 HD2 TYR 127 2HD TYR 127 -12.638 4.117 -2.491 1014 HE1 TYR 127 1HE TYR 127 -17.166 3.151 -0.817 1015 HE2 TYR 127 2HE TYR 127 -13.121 1.937 -1.455 1016 HH TYR 127 HH TYR 127 -16.285 0.860 -0.837 1017 H ARG 128 H ARG 128 -16.077 7.546 -5.166 1018 HA ARG 128 HA ARG 128 -17.942 5.538 -5.788 1019 1HB ARG 128 2HB ARG 128 -18.881 7.655 -5.514 1020 2HB ARG 128 1HB ARG 128 -17.647 8.444 -6.481 1021 1HG ARG 128 2HG ARG 128 -19.741 8.528 -7.646 1022 2HG ARG 128 1HG ARG 128 -18.644 7.459 -8.515 1023 1HD ARG 128 2HD ARG 128 -19.772 5.524 -7.394 1024 2HD ARG 128 1HD ARG 128 -20.947 6.663 -6.731 1025 HE ARG 128 HE ARG 128 -20.578 6.663 -9.625 1026 1HH1 ARG 128 1HH1 ARG 128 -22.528 5.664 -6.899 1027 2HH1 ARG 128 2HH1 ARG 128 -23.934 5.329 -7.860 1028 1HH2 ARG 128 1HH2 ARG 128 -22.423 6.226 -10.901 1029 2HH2 ARG 128 2HH2 ARG 128 -23.871 5.645 -10.140 1030 H GLU 129 H GLU 129 -15.806 7.423 -7.947 1031 HA GLU 129 HA GLU 129 -16.521 6.143 -10.332 1032 1HB GLU 129 2HB GLU 129 -13.935 7.508 -9.548 1033 2HB GLU 129 1HB GLU 129 -14.259 6.921 -11.172 1034 1HG GLU 129 2HG GLU 129 -14.785 9.161 -11.325 1035 2HG GLU 129 1HG GLU 129 -16.359 8.414 -11.067 1036 H CYS 130 H CYS 130 -14.325 5.188 -7.803 1037 HA CYS 130 HA CYS 130 -13.053 3.103 -9.316 1038 1HB CYS 130 2HB CYS 130 -13.129 3.614 -6.333 1039 2HB CYS 130 1HB CYS 130 -12.083 2.446 -7.136 1040 HG CYS 130 HG CYS 130 -10.150 4.095 -7.385 1041 H LEU 131 H LEU 131 -15.920 3.380 -7.380 1042 HA LEU 131 HA LEU 131 -16.156 0.521 -6.948 1043 1HB LEU 131 2HB LEU 131 -17.499 2.945 -5.944 1044 2HB LEU 131 1HB LEU 131 -18.551 1.557 -6.128 1045 HG LEU 131 HG LEU 131 -17.611 1.771 -3.842 1046 1HD1 LEU 131 1HD1 LEU 131 -18.295 -0.421 -4.672 1047 2HD1 LEU 131 2HD1 LEU 131 -16.909 -0.556 -3.593 1048 3HD1 LEU 131 3HD1 LEU 131 -16.684 -0.684 -5.336 1049 1HD2 LEU 131 1HD2 LEU 131 -14.971 1.255 -5.216 1050 2HD2 LEU 131 2HD2 LEU 131 -15.236 1.237 -3.473 1051 3HD2 LEU 131 3HD2 LEU 131 -15.449 2.733 -4.380 1052 H LEU 132 H LEU 132 -18.032 3.008 -8.719 1053 HA LEU 132 HA LEU 132 -19.363 0.801 -10.146 1054 1HB LEU 132 2HB LEU 132 -20.241 3.664 -9.753 1055 2HB LEU 132 1HB LEU 132 -21.036 2.545 -10.845 1056 HG LEU 132 HG LEU 132 -21.314 1.037 -8.743 1057 1HD1 LEU 132 1HD1 LEU 132 -21.484 2.249 -6.633 1058 2HD1 LEU 132 2HD1 LEU 132 -20.881 3.712 -7.413 1059 3HD1 LEU 132 3HD1 LEU 132 -19.839 2.295 -7.267 1060 1HD2 LEU 132 1HD2 LEU 132 -22.899 3.589 -9.048 1061 2HD2 LEU 132 2HD2 LEU 132 -23.423 2.148 -8.178 1062 3HD2 LEU 132 3HD2 LEU 132 -23.169 2.082 -9.922 1063 H ALA 133 H ALA 133 -17.868 0.368 -11.673 1064 HA ALA 133 HA ALA 133 -17.818 2.252 -13.914 1065 1HB ALA 133 1HB ALA 133 -15.337 0.894 -12.839 1066 2HB ALA 133 2HB ALA 133 -15.702 2.615 -12.718 1067 3HB ALA 133 3HB ALA 133 -15.428 1.882 -14.297 1068 H GLU 134 H GLU 134 -19.065 -0.361 -13.056 1069 HA GLU 134 HA GLU 134 -18.374 -1.946 -15.422 1070 1HB GLU 134 2HB GLU 134 -17.241 -2.729 -13.208 1071 2HB GLU 134 1HB GLU 134 -18.847 -3.254 -12.736 1072 1HG GLU 134 2HG GLU 134 -17.511 -4.176 -15.271 1073 2HG GLU 134 1HG GLU 134 -17.299 -4.997 -13.730 1074 H ALA 135 H ALA 135 -20.175 -2.082 -16.543 1075 HA ALA 135 HA ALA 135 -22.319 -2.444 -17.168 1076 1HB ALA 135 1HB ALA 135 -22.833 -3.276 -14.311 1077 2HB ALA 135 2HB ALA 135 -22.302 -4.344 -15.608 1078 3HB ALA 135 3HB ALA 135 -23.887 -3.574 -15.694 1079 H GLU 136 H GLU 136 -22.644 -1.200 -13.840 1080 HA GLU 136 HA GLU 136 -23.636 0.628 -12.955 1081 1HB GLU 136 2HB GLU 136 -23.587 1.681 -15.790 1082 2HB GLU 136 1HB GLU 136 -24.179 2.605 -14.417 1083 1HG GLU 136 2HG GLU 136 -21.889 2.261 -13.375 1084 2HG GLU 136 1HG GLU 136 -21.372 1.678 -14.959 Start of MODEL 10 1 1H SER 1 1HT SER 1 -21.521 -8.163 5.811 2 2H SER 1 2HT SER 1 -21.341 -9.523 4.826 3 3H SER 1 3HT SER 1 -21.103 -7.982 4.184 4 HA SER 1 HA SER 1 -19.195 -7.645 5.604 5 1HB SER 1 2HB SER 1 -20.012 -9.162 7.426 6 2HB SER 1 1HB SER 1 -19.620 -10.544 6.405 7 HG SER 1 HG SER 1 -17.924 -8.766 7.754 8 H MET 2 H MET 2 -19.814 -10.891 4.221 9 HA MET 2 HA MET 2 -18.277 -10.257 1.873 10 1HB MET 2 2HB MET 2 -16.455 -10.884 3.395 11 2HB MET 2 1HB MET 2 -17.269 -12.397 3.770 12 1HG MET 2 2HG MET 2 -17.016 -13.106 1.432 13 2HG MET 2 1HG MET 2 -16.183 -11.596 1.072 14 1HE MET 2 1HE MET 2 -13.765 -10.977 1.963 15 2HE MET 2 2HE MET 2 -12.889 -11.946 3.147 16 3HE MET 2 3HE MET 2 -14.381 -11.128 3.609 17 H THR 3 H THR 3 -19.993 -10.771 0.645 18 HA THR 3 HA THR 3 -20.644 -13.584 0.312 19 HB THR 3 HB THR 3 -22.247 -12.867 2.064 20 HG1 THR 3 1HG THR 3 -22.935 -13.834 -0.404 21 1HG2 THR 3 1HG2 THR 3 -23.978 -11.208 1.555 22 2HG2 THR 3 2HG2 THR 3 -23.216 -10.877 -0.000 23 3HG2 THR 3 3HG2 THR 3 -22.372 -10.482 1.498 24 H GLU 4 H GLU 4 -19.430 -11.273 -1.124 25 HA GLU 4 HA GLU 4 -21.190 -11.181 -3.479 26 1HB GLU 4 2HB GLU 4 -20.701 -8.799 -3.772 27 2HB GLU 4 1HB GLU 4 -21.481 -9.084 -2.226 28 1HG GLU 4 2HG GLU 4 -18.538 -8.587 -2.673 29 2HG GLU 4 1HG GLU 4 -19.706 -7.441 -2.021 30 H GLU 5 H GLU 5 -19.596 -9.636 -5.104 31 HA GLU 5 HA GLU 5 -17.642 -11.572 -5.903 32 1HB GLU 5 2HB GLU 5 -19.052 -10.200 -7.470 33 2HB GLU 5 1HB GLU 5 -18.098 -8.794 -7.023 34 1HG GLU 5 2HG GLU 5 -17.351 -9.712 -9.139 35 2HG GLU 5 1HG GLU 5 -16.088 -9.865 -7.916 36 H GLN 6 H GLN 6 -17.482 -9.342 -3.531 37 HA GLN 6 HA GLN 6 -15.864 -8.240 -2.398 38 1HB GLN 6 2HB GLN 6 -13.991 -10.050 -3.948 39 2HB GLN 6 1HB GLN 6 -13.565 -9.124 -2.513 40 1HG GLN 6 2HG GLN 6 -15.064 -10.429 -1.155 41 2HG GLN 6 1HG GLN 6 -15.675 -11.277 -2.576 42 1HE2 GLN 6 1HE2 GLN 6 -14.379 -12.828 -3.577 43 2HE2 GLN 6 2HE2 GLN 6 -13.022 -13.536 -2.778 44 HA PRO 7 HA PRO 7 -15.138 -5.461 -5.960 45 1HB PRO 7 2HB PRO 7 -16.427 -3.316 -5.022 46 2HB PRO 7 1HB PRO 7 -17.320 -4.718 -5.628 47 1HG PRO 7 2HG PRO 7 -16.741 -3.918 -2.799 48 2HG PRO 7 1HG PRO 7 -18.239 -4.562 -3.495 49 1HD PRO 7 2HD PRO 7 -16.354 -6.064 -2.119 50 2HD PRO 7 1HD PRO 7 -17.545 -6.728 -3.256 51 H VAL 8 H VAL 8 -14.622 -2.849 -5.645 52 HA VAL 8 HA VAL 8 -11.967 -2.727 -4.815 53 HB VAL 8 HB VAL 8 -12.167 -0.266 -5.020 54 1HG1 VAL 8 1HG1 VAL 8 -12.787 -0.220 -7.391 55 2HG1 VAL 8 2HG1 VAL 8 -13.540 -1.808 -7.231 56 3HG1 VAL 8 3HG1 VAL 8 -11.798 -1.632 -7.015 57 1HG2 VAL 8 1HG2 VAL 8 -14.395 0.019 -4.056 58 2HG2 VAL 8 2HG2 VAL 8 -15.113 -0.816 -5.435 59 3HG2 VAL 8 3HG2 VAL 8 -14.311 0.738 -5.664 60 H ALA 9 H ALA 9 -14.749 -2.674 -2.882 61 HA ALA 9 HA ALA 9 -14.020 -1.042 -0.734 62 1HB ALA 9 1HB ALA 9 -15.629 -3.599 -0.662 63 2HB ALA 9 2HB ALA 9 -16.264 -1.988 -1.000 64 3HB ALA 9 3HB ALA 9 -15.599 -2.356 0.591 65 H SER 10 H SER 10 -12.585 -3.914 -1.835 66 HA SER 10 HA SER 10 -11.645 -5.140 0.473 67 1HB SER 10 2HB SER 10 -9.786 -5.971 -0.995 68 2HB SER 10 1HB SER 10 -11.391 -6.187 -1.692 69 HG SER 10 HG SER 10 -10.886 -4.865 -3.261 70 H TRP 11 H TRP 11 -10.497 -2.256 -1.180 71 HA TRP 11 HA TRP 11 -7.995 -1.981 0.064 72 1HB TRP 11 2HB TRP 11 -9.816 0.303 -0.719 73 2HB TRP 11 1HB TRP 11 -8.066 0.346 -0.567 74 HD1 TRP 11 HD TRP 11 -7.705 -2.461 -2.358 75 HE1 TRP 11 1HE TRP 11 -7.919 -2.205 -4.917 76 HE3 TRP 11 3HE TRP 11 -10.214 1.969 -2.511 77 HZ2 TRP 11 2HZ TRP 11 -9.011 -0.346 -6.754 78 HZ3 TRP 11 3HZ TRP 11 -10.812 2.937 -4.678 79 HH2 TRP 11 HH TRP 11 -10.221 1.799 -6.772 80 H ALA 12 H ALA 12 -11.231 -1.006 1.071 81 HA ALA 12 HA ALA 12 -10.450 0.593 3.279 82 1HB ALA 12 1HB ALA 12 -12.628 0.819 2.181 83 2HB ALA 12 2HB ALA 12 -12.811 0.525 3.911 84 3HB ALA 12 3HB ALA 12 -13.091 -0.780 2.758 85 H LEU 13 H LEU 13 -10.115 -2.663 2.879 86 HA LEU 13 HA LEU 13 -10.635 -3.386 5.656 87 1HB LEU 13 2HB LEU 13 -9.571 -5.051 3.364 88 2HB LEU 13 1HB LEU 13 -9.992 -5.659 4.955 89 HG LEU 13 HG LEU 13 -11.924 -4.460 2.958 90 1HD1 LEU 13 1HD1 LEU 13 -11.133 -6.664 2.287 91 2HD1 LEU 13 2HD1 LEU 13 -12.819 -6.732 2.795 92 3HD1 LEU 13 3HD1 LEU 13 -11.550 -7.313 3.873 93 1HD2 LEU 13 1HD2 LEU 13 -12.610 -3.972 5.246 94 2HD2 LEU 13 2HD2 LEU 13 -12.433 -5.672 5.681 95 3HD2 LEU 13 3HD2 LEU 13 -13.672 -5.181 4.526 96 H SER 14 H SER 14 -7.944 -2.731 3.490 97 HA SER 14 HA SER 14 -6.132 -2.521 5.732 98 1HB SER 14 2HB SER 14 -5.609 -4.593 3.579 99 2HB SER 14 1HB SER 14 -4.483 -4.134 4.853 100 HG SER 14 HG SER 14 -6.674 -4.744 6.106 101 H PHE 15 H PHE 15 -4.473 -1.131 5.327 102 HA PHE 15 HA PHE 15 -4.591 0.553 3.056 103 1HB PHE 15 2HB PHE 15 -3.722 1.331 5.226 104 2HB PHE 15 1HB PHE 15 -2.366 0.216 5.097 105 HD1 PHE 15 1HD PHE 15 -3.829 2.470 2.505 106 HD2 PHE 15 2HD PHE 15 -0.487 1.590 4.996 107 HE1 PHE 15 1HE PHE 15 -2.527 4.222 1.374 108 HE2 PHE 15 2HE PHE 15 0.819 3.343 3.868 109 HZ PHE 15 HZ PHE 15 -0.200 4.661 2.054 110 H GLU 16 H GLU 16 -2.440 -2.078 3.992 111 HA GLU 16 HA GLU 16 -0.646 -2.159 1.926 112 1HB GLU 16 2HB GLU 16 -0.576 -3.649 3.866 113 2HB GLU 16 1HB GLU 16 -2.028 -4.468 3.324 114 1HG GLU 16 2HG GLU 16 0.445 -4.450 1.627 115 2HG GLU 16 1HG GLU 16 0.270 -5.584 2.963 116 H ARG 17 H ARG 17 -3.921 -3.539 1.989 117 HA ARG 17 HA ARG 17 -3.914 -4.757 -0.520 118 1HB ARG 17 2HB ARG 17 -5.656 -5.124 1.192 119 2HB ARG 17 1HB ARG 17 -6.248 -3.489 0.941 120 1HG ARG 17 2HG ARG 17 -7.700 -5.017 -0.195 121 2HG ARG 17 1HG ARG 17 -6.804 -4.097 -1.403 122 1HD ARG 17 2HD ARG 17 -5.899 -6.815 -0.478 123 2HD ARG 17 1HD ARG 17 -7.074 -6.619 -1.774 124 HE ARG 17 HE ARG 17 -5.155 -5.120 -2.740 125 1HH1 ARG 17 1HH1 ARG 17 -4.739 -8.124 -0.981 126 2HH1 ARG 17 2HH1 ARG 17 -3.392 -8.643 -1.944 127 1HH2 ARG 17 1HH2 ARG 17 -3.384 -5.826 -4.014 128 2HH2 ARG 17 2HH2 ARG 17 -2.628 -7.350 -3.659 129 H LEU 18 H LEU 18 -4.896 -1.474 0.416 130 HA LEU 18 HA LEU 18 -5.590 -0.569 -2.184 131 1HB LEU 18 2HB LEU 18 -6.350 0.646 -0.245 132 2HB LEU 18 1HB LEU 18 -4.705 0.895 0.311 133 HG LEU 18 HG LEU 18 -4.324 2.298 -1.765 134 1HD1 LEU 18 1HD1 LEU 18 -7.330 2.137 -1.952 135 2HD1 LEU 18 2HD1 LEU 18 -6.175 1.457 -3.099 136 3HD1 LEU 18 3HD1 LEU 18 -6.287 3.204 -2.894 137 1HD2 LEU 18 1HD2 LEU 18 -6.417 3.270 0.184 138 2HD2 LEU 18 2HD2 LEU 18 -5.393 4.284 -0.839 139 3HD2 LEU 18 3HD2 LEU 18 -4.670 3.300 0.435 140 H LEU 19 H LEU 19 -2.621 -0.513 -0.331 141 HA LEU 19 HA LEU 19 -1.272 1.310 -2.080 142 1HB LEU 19 2HB LEU 19 -1.000 1.141 0.428 143 2HB LEU 19 1HB LEU 19 -0.117 -0.348 0.164 144 HG LEU 19 HG LEU 19 1.592 0.865 -1.091 145 1HD1 LEU 19 1HD1 LEU 19 1.596 3.311 -1.172 146 2HD1 LEU 19 2HD1 LEU 19 -0.000 3.340 -0.417 147 3HD1 LEU 19 3HD1 LEU 19 0.205 2.641 -2.023 148 1HD2 LEU 19 1HD2 LEU 19 1.891 0.593 1.304 149 2HD2 LEU 19 2HD2 LEU 19 1.011 2.092 1.601 150 3HD2 LEU 19 3HD2 LEU 19 2.563 2.130 0.764 151 H GLN 20 H GLN 20 -1.726 -2.054 -1.971 152 HA GLN 20 HA GLN 20 0.567 -2.517 -3.762 153 1HB GLN 20 2HB GLN 20 0.306 -3.972 -1.731 154 2HB GLN 20 1HB GLN 20 -1.199 -4.573 -2.409 155 1HG GLN 20 2HG GLN 20 0.615 -6.135 -2.801 156 2HG GLN 20 1HG GLN 20 0.010 -5.485 -4.322 157 1HE2 GLN 20 1HE2 GLN 20 2.115 -3.705 -2.154 158 2HE2 GLN 20 2HE2 GLN 20 3.499 -3.712 -3.189 159 H ASP 21 H ASP 21 -2.585 -1.672 -3.962 160 HA ASP 21 HA ASP 21 -3.283 -3.435 -6.193 161 1HB ASP 21 2HB ASP 21 -4.952 -2.921 -4.372 162 2HB ASP 21 1HB ASP 21 -4.966 -1.251 -4.931 163 HA PRO 22 HA PRO 22 -1.691 -0.449 -9.095 164 1HB PRO 22 2HB PRO 22 -3.579 -1.786 -10.972 165 2HB PRO 22 1HB PRO 22 -1.836 -1.530 -11.122 166 1HG PRO 22 2HG PRO 22 -2.810 -3.947 -10.560 167 2HG PRO 22 1HG PRO 22 -1.320 -3.367 -9.789 168 1HD PRO 22 2HD PRO 22 -4.100 -3.523 -8.668 169 2HD PRO 22 1HD PRO 22 -2.547 -3.894 -7.887 170 H LEU 23 H LEU 23 -5.177 -1.139 -9.006 171 HA LEU 23 HA LEU 23 -5.912 1.291 -10.348 172 1HB LEU 23 2HB LEU 23 -7.202 -0.943 -10.228 173 2HB LEU 23 1HB LEU 23 -7.724 -0.423 -8.641 174 HG LEU 23 HG LEU 23 -8.266 1.182 -11.151 175 1HD1 LEU 23 1HD1 LEU 23 -9.293 -1.026 -11.375 176 2HD1 LEU 23 2HD1 LEU 23 -10.516 0.221 -11.133 177 3HD1 LEU 23 3HD1 LEU 23 -10.061 -0.838 -9.797 178 1HD2 LEU 23 1HD2 LEU 23 -10.025 2.215 -9.786 179 2HD2 LEU 23 2HD2 LEU 23 -8.432 2.455 -9.074 180 3HD2 LEU 23 3HD2 LEU 23 -9.522 1.243 -8.402 181 H GLY 24 H GLY 24 -5.850 0.131 -7.013 182 1HA GLY 24 2HA GLY 24 -6.899 2.387 -5.722 183 2HA GLY 24 1HA GLY 24 -5.770 1.241 -5.009 184 H LEU 25 H LEU 25 -3.457 1.504 -5.994 185 HA LEU 25 HA LEU 25 -2.325 3.881 -5.213 186 1HB LEU 25 2HB LEU 25 -1.447 1.619 -6.904 187 2HB LEU 25 1HB LEU 25 -0.553 3.108 -7.136 188 HG LEU 25 HG LEU 25 -0.879 1.635 -4.515 189 1HD1 LEU 25 1HD1 LEU 25 1.518 1.201 -4.727 190 2HD1 LEU 25 2HD1 LEU 25 1.528 1.991 -6.305 191 3HD1 LEU 25 3HD1 LEU 25 0.618 0.498 -6.072 192 1HD2 LEU 25 1HD2 LEU 25 0.766 3.282 -3.672 193 2HD2 LEU 25 2HD2 LEU 25 -0.773 4.018 -4.116 194 3HD2 LEU 25 3HD2 LEU 25 0.620 4.171 -5.188 195 H ALA 26 H ALA 26 -3.659 3.080 -8.376 196 HA ALA 26 HA ALA 26 -2.579 5.142 -9.891 197 1HB ALA 26 1HB ALA 26 -3.863 3.292 -10.855 198 2HB ALA 26 2HB ALA 26 -4.484 4.852 -11.395 199 3HB ALA 26 3HB ALA 26 -5.342 3.944 -10.149 200 H TYR 27 H TYR 27 -5.854 5.159 -8.437 201 HA TYR 27 HA TYR 27 -6.153 7.967 -8.904 202 1HB TYR 27 2HB TYR 27 -7.809 5.993 -7.322 203 2HB TYR 27 1HB TYR 27 -8.247 7.691 -7.495 204 HD1 TYR 27 1HD TYR 27 -7.968 8.456 -10.141 205 HD2 TYR 27 2HD TYR 27 -9.025 4.585 -8.715 206 HE1 TYR 27 1HE TYR 27 -9.077 7.977 -12.281 207 HE2 TYR 27 2HE TYR 27 -10.134 4.097 -10.855 208 HH TYR 27 HH TYR 27 -9.660 5.833 -13.615 209 H PHE 28 H PHE 28 -5.165 6.025 -6.167 210 HA PHE 28 HA PHE 28 -5.345 7.993 -4.167 211 1HB PHE 28 2HB PHE 28 -5.043 5.618 -3.648 212 2HB PHE 28 1HB PHE 28 -3.447 5.635 -4.385 213 HD1 PHE 28 1HD PHE 28 -1.861 5.318 -2.738 214 HD2 PHE 28 2HD PHE 28 -5.133 7.938 -1.969 215 HE1 PHE 28 1HE PHE 28 -0.881 5.902 -0.560 216 HE2 PHE 28 2HE PHE 28 -4.153 8.525 0.206 217 HZ PHE 28 HZ PHE 28 -2.027 7.507 0.918 218 H THR 29 H THR 29 -2.746 7.163 -6.432 219 HA THR 29 HA THR 29 -0.943 9.114 -5.324 220 HB THR 29 HB THR 29 -0.274 6.941 -6.561 221 HG1 THR 29 1HG THR 29 0.898 9.491 -6.937 222 1HG2 THR 29 1HG2 THR 29 -1.600 7.288 -8.594 223 2HG2 THR 29 2HG2 THR 29 0.118 7.186 -8.973 224 3HG2 THR 29 3HG2 THR 29 -0.686 8.754 -8.949 225 H GLU 30 H GLU 30 -3.519 9.138 -7.605 226 HA GLU 30 HA GLU 30 -2.782 11.360 -9.172 227 1HB GLU 30 2HB GLU 30 -5.480 10.258 -8.390 228 2HB GLU 30 1HB GLU 30 -5.315 11.668 -9.426 229 1HG GLU 30 2HG GLU 30 -4.155 8.955 -10.018 230 2HG GLU 30 1HG GLU 30 -5.672 9.569 -10.668 231 H PHE 31 H PHE 31 -5.109 11.350 -6.437 232 HA PHE 31 HA PHE 31 -4.932 14.241 -6.393 233 1HB PHE 31 2HB PHE 31 -6.808 14.241 -4.936 234 2HB PHE 31 1HB PHE 31 -7.101 12.988 -6.132 235 HD1 PHE 31 1HD PHE 31 -7.357 10.731 -5.527 236 HD2 PHE 31 2HD PHE 31 -6.208 13.605 -2.606 237 HE1 PHE 31 1HE PHE 31 -7.842 9.119 -3.749 238 HE2 PHE 31 2HE PHE 31 -6.682 11.986 -0.817 239 HZ PHE 31 HZ PHE 31 -7.504 9.738 -1.389 240 H LEU 32 H LEU 32 -3.078 11.874 -5.026 241 HA LEU 32 HA LEU 32 -2.412 13.424 -2.639 242 1HB LEU 32 2HB LEU 32 -2.510 10.989 -2.457 243 2HB LEU 32 1HB LEU 32 -1.306 10.822 -3.712 244 HG LEU 32 HG LEU 32 0.378 11.839 -2.248 245 1HD1 LEU 32 1HD1 LEU 32 -1.771 11.877 -0.132 246 2HD1 LEU 32 2HD1 LEU 32 -1.089 13.293 -0.937 247 3HD1 LEU 32 3HD1 LEU 32 -0.066 12.287 0.088 248 1HD2 LEU 32 1HD2 LEU 32 -1.102 9.535 -0.975 249 2HD2 LEU 32 2HD2 LEU 32 0.566 10.000 -0.636 250 3HD2 LEU 32 3HD2 LEU 32 0.122 9.421 -2.241 251 H LYS 33 H LYS 33 -1.432 13.097 -5.907 252 HA LYS 33 HA LYS 33 1.091 14.519 -5.348 253 1HB LYS 33 2HB LYS 33 1.164 12.354 -6.682 254 2HB LYS 33 1HB LYS 33 0.293 13.195 -7.957 255 1HG LYS 33 2HG LYS 33 2.111 14.688 -8.331 256 2HG LYS 33 1HG LYS 33 2.944 14.141 -6.875 257 1HD LYS 33 2HD LYS 33 3.998 13.171 -8.830 258 2HD LYS 33 1HD LYS 33 3.206 11.903 -7.896 259 1HE LYS 33 2HE LYS 33 2.804 11.555 -10.257 260 2HE LYS 33 1HE LYS 33 1.294 11.983 -9.454 261 1HZ LYS 33 1HZ LYS 33 2.997 13.814 -11.059 262 2HZ LYS 33 2HZ LYS 33 1.573 14.255 -10.264 263 3HZ LYS 33 3HZ LYS 33 1.518 13.150 -11.538 264 H LYS 34 H LYS 34 -1.893 15.359 -5.683 265 HA LYS 34 HA LYS 34 -1.826 17.217 -7.887 266 1HB LYS 34 2HB LYS 34 -3.943 16.220 -7.140 267 2HB LYS 34 1HB LYS 34 -3.741 16.945 -5.553 268 1HG LYS 34 2HG LYS 34 -3.595 19.017 -7.517 269 2HG LYS 34 1HG LYS 34 -5.019 18.032 -7.844 270 1HD LYS 34 2HD LYS 34 -4.331 19.324 -5.195 271 2HD LYS 34 1HD LYS 34 -5.539 19.903 -6.344 272 1HE LYS 34 2HE LYS 34 -6.759 17.759 -6.074 273 2HE LYS 34 1HE LYS 34 -5.583 17.275 -4.852 274 1HZ LYS 34 1HZ LYS 34 -7.614 18.193 -3.889 275 2HZ LYS 34 2HZ LYS 34 -7.337 19.667 -4.671 276 3HZ LYS 34 3HZ LYS 34 -6.263 19.124 -3.486 277 H GLU 35 H GLU 35 -1.504 17.327 -4.395 278 HA GLU 35 HA GLU 35 -0.564 20.108 -4.531 279 1HB GLU 35 2HB GLU 35 -0.837 20.148 -2.077 280 2HB GLU 35 1HB GLU 35 -2.340 19.771 -2.901 281 1HG GLU 35 2HG GLU 35 -0.560 17.647 -1.727 282 2HG GLU 35 1HG GLU 35 -1.821 18.455 -0.801 283 H PHE 36 H PHE 36 0.659 17.219 -4.914 284 HA PHE 36 HA PHE 36 2.753 16.376 -4.951 285 1HB PHE 36 2HB PHE 36 3.349 18.757 -5.572 286 2HB PHE 36 1HB PHE 36 3.690 19.050 -3.872 287 HD1 PHE 36 1HD PHE 36 4.647 16.821 -6.703 288 HD2 PHE 36 2HD PHE 36 5.842 18.670 -3.051 289 HE1 PHE 36 1HE PHE 36 6.948 16.023 -7.054 290 HE2 PHE 36 2HE PHE 36 8.143 17.873 -3.400 291 HZ PHE 36 HZ PHE 36 8.700 16.549 -5.404 292 H SER 37 H SER 37 1.878 15.026 -3.273 293 HA SER 37 HA SER 37 3.472 15.175 -0.838 294 1HB SER 37 2HB SER 37 0.450 14.866 -0.795 295 2HB SER 37 1HB SER 37 1.517 14.812 0.604 296 HG SER 37 HG SER 37 1.182 17.033 -1.126 297 H ALA 38 H ALA 38 2.935 13.490 -3.405 298 HA ALA 38 HA ALA 38 2.148 10.916 -2.257 299 1HB ALA 38 1HB ALA 38 1.146 11.600 -4.389 300 2HB ALA 38 2HB ALA 38 2.092 10.121 -4.564 301 3HB ALA 38 3HB ALA 38 2.749 11.661 -5.122 302 H GLU 39 H GLU 39 4.895 12.619 -2.472 303 HA GLU 39 HA GLU 39 6.787 10.972 -3.697 304 1HB GLU 39 2HB GLU 39 7.229 12.823 -1.337 305 2HB GLU 39 1HB GLU 39 8.481 12.196 -2.399 306 1HG GLU 39 2HG GLU 39 8.061 14.428 -3.067 307 2HG GLU 39 1HG GLU 39 7.342 13.390 -4.296 308 H ASN 40 H ASN 40 5.330 10.793 -0.548 309 HA ASN 40 HA ASN 40 7.239 9.060 0.644 310 1HB ASN 40 2HB ASN 40 5.580 8.726 2.409 311 2HB ASN 40 1HB ASN 40 5.703 10.432 1.994 312 1HD2 ASN 40 1HD2 ASN 40 3.981 11.428 0.896 313 2HD2 ASN 40 2HD2 ASN 40 2.413 10.713 0.839 314 H VAL 41 H VAL 41 4.091 8.443 -0.950 315 HA VAL 41 HA VAL 41 4.294 5.620 -0.607 316 HB VAL 41 HB VAL 41 2.397 5.413 -2.131 317 1HG1 VAL 41 1HG1 VAL 41 0.748 6.695 -0.854 318 2HG1 VAL 41 2HG1 VAL 41 2.039 7.679 -0.166 319 3HG1 VAL 41 3HG1 VAL 41 1.951 5.955 0.202 320 1HG2 VAL 41 1HG2 VAL 41 1.347 7.370 -3.167 321 2HG2 VAL 41 2HG2 VAL 41 2.991 7.141 -3.762 322 3HG2 VAL 41 3HG2 VAL 41 2.653 8.394 -2.569 323 H THR 42 H THR 42 5.207 7.905 -3.121 324 HA THR 42 HA THR 42 5.912 6.051 -5.116 325 HB THR 42 HB THR 42 7.136 8.772 -4.563 326 HG1 THR 42 1HG THR 42 5.551 9.434 -6.143 327 1HG2 THR 42 1HG2 THR 42 7.694 8.758 -6.960 328 2HG2 THR 42 2HG2 THR 42 7.061 7.117 -7.103 329 3HG2 THR 42 3HG2 THR 42 8.490 7.430 -6.115 330 H PHE 43 H PHE 43 7.726 7.432 -2.409 331 HA PHE 43 HA PHE 43 10.178 6.149 -2.760 332 1HB PHE 43 2HB PHE 43 10.014 7.794 -1.041 333 2HB PHE 43 1HB PHE 43 8.643 6.990 -0.291 334 HD1 PHE 43 1HD PHE 43 12.295 6.684 -0.905 335 HD2 PHE 43 2HD PHE 43 8.963 5.431 1.435 336 HE1 PHE 43 1HE PHE 43 13.819 5.563 0.668 337 HE2 PHE 43 2HE PHE 43 10.483 4.311 3.006 338 HZ PHE 43 HZ PHE 43 12.915 4.375 2.625 339 H TRP 44 H TRP 44 7.245 5.069 -1.103 340 HA TRP 44 HA TRP 44 8.218 2.559 -0.283 341 1HB TRP 44 2HB TRP 44 6.191 3.735 0.631 342 2HB TRP 44 1HB TRP 44 5.335 3.307 -0.845 343 HD1 TRP 44 HD TRP 44 6.616 1.804 2.422 344 HE1 TRP 44 1HE TRP 44 5.599 -0.544 2.715 345 HE3 TRP 44 3HE TRP 44 4.444 1.299 -2.175 346 HZ2 TRP 44 2HZ TRP 44 4.076 -2.375 1.186 347 HZ3 TRP 44 3HZ TRP 44 3.226 -0.786 -2.686 348 HH2 TRP 44 HH TRP 44 3.047 -2.582 -1.039 349 H LYS 45 H LYS 45 6.559 3.613 -3.236 350 HA LYS 45 HA LYS 45 6.085 1.123 -4.429 351 1HB LYS 45 2HB LYS 45 6.862 3.714 -5.806 352 2HB LYS 45 1HB LYS 45 6.175 2.310 -6.604 353 1HG LYS 45 2HG LYS 45 4.093 2.608 -5.361 354 2HG LYS 45 1HG LYS 45 4.787 4.004 -4.531 355 1HD LYS 45 2HD LYS 45 5.159 5.030 -6.817 356 2HD LYS 45 1HD LYS 45 4.182 3.720 -7.475 357 1HE LYS 45 2HE LYS 45 2.286 4.442 -6.106 358 2HE LYS 45 1HE LYS 45 3.268 5.738 -5.420 359 1HZ LYS 45 1HZ LYS 45 1.979 6.689 -7.143 360 2HZ LYS 45 2HZ LYS 45 2.353 5.447 -8.228 361 3HZ LYS 45 3HZ LYS 45 3.548 6.552 -7.766 362 H ALA 46 H ALA 46 8.856 3.309 -4.732 363 HA ALA 46 HA ALA 46 10.397 1.703 -6.446 364 1HB ALA 46 1HB ALA 46 11.337 3.783 -4.463 365 2HB ALA 46 2HB ALA 46 10.806 4.097 -6.115 366 3HB ALA 46 3HB ALA 46 12.265 3.151 -5.824 367 H CYS 47 H CYS 47 10.275 1.944 -2.917 368 HA CYS 47 HA CYS 47 12.447 0.171 -2.441 369 1HB CYS 47 2HB CYS 47 10.177 1.020 -0.625 370 2HB CYS 47 1HB CYS 47 11.613 0.146 -0.103 371 HG CYS 47 HG CYS 47 11.593 3.304 -1.422 372 H GLU 48 H GLU 48 8.998 -0.275 -2.896 373 HA GLU 48 HA GLU 48 8.918 -3.014 -2.103 374 1HB GLU 48 2HB GLU 48 6.932 -1.449 -2.299 375 2HB GLU 48 1HB GLU 48 7.066 -1.594 -4.043 376 1HG GLU 48 2HG GLU 48 6.648 -3.961 -2.230 377 2HG GLU 48 1HG GLU 48 5.322 -3.028 -2.916 378 H ARG 49 H ARG 49 9.162 -1.351 -5.228 379 HA ARG 49 HA ARG 49 9.543 -3.649 -6.815 380 1HB ARG 49 2HB ARG 49 9.643 -0.767 -7.180 381 2HB ARG 49 1HB ARG 49 10.943 -1.550 -8.066 382 1HG ARG 49 2HG ARG 49 8.929 -1.250 -9.430 383 2HG ARG 49 1HG ARG 49 9.359 -2.950 -9.242 384 1HD ARG 49 2HD ARG 49 7.668 -3.078 -7.385 385 2HD ARG 49 1HD ARG 49 7.162 -1.444 -7.818 386 HE ARG 49 HE ARG 49 6.736 -2.468 -10.114 387 1HH1 ARG 49 1HH1 ARG 49 6.340 -4.199 -7.095 388 2HH1 ARG 49 2HH1 ARG 49 5.227 -5.354 -7.762 389 1HH2 ARG 49 1HH2 ARG 49 5.239 -3.981 -10.980 390 2HH2 ARG 49 2HH2 ARG 49 4.620 -5.243 -9.959 391 H PHE 50 H PHE 50 11.609 -1.954 -4.672 392 HA PHE 50 HA PHE 50 14.095 -2.974 -5.655 393 1HB PHE 50 2HB PHE 50 14.137 -0.950 -4.363 394 2HB PHE 50 1HB PHE 50 13.272 -1.707 -3.032 395 HD1 PHE 50 1HD PHE 50 14.422 -2.829 -1.315 396 HD2 PHE 50 2HD PHE 50 16.498 -1.674 -4.853 397 HE1 PHE 50 1HE PHE 50 16.560 -3.386 -0.240 398 HE2 PHE 50 2HE PHE 50 18.637 -2.233 -3.778 399 HZ PHE 50 HZ PHE 50 18.670 -3.091 -1.472 400 H GLN 51 H GLN 51 11.976 -3.824 -2.903 401 HA GLN 51 HA GLN 51 13.544 -6.107 -2.171 402 1HB GLN 51 2HB GLN 51 11.768 -6.595 -0.575 403 2HB GLN 51 1HB GLN 51 12.174 -4.885 -0.524 404 1HG GLN 51 2HG GLN 51 10.203 -4.377 -1.882 405 2HG GLN 51 1HG GLN 51 9.796 -6.090 -1.935 406 1HE2 GLN 51 1HE2 GLN 51 9.047 -7.103 -0.056 407 2HE2 GLN 51 2HE2 GLN 51 8.432 -6.204 1.282 408 H GLN 52 H GLN 52 11.318 -5.521 -4.616 409 HA GLN 52 HA GLN 52 10.286 -8.195 -4.892 410 1HB GLN 52 2HB GLN 52 9.145 -6.057 -5.672 411 2HB GLN 52 1HB GLN 52 10.324 -5.991 -6.971 412 1HG GLN 52 2HG GLN 52 8.236 -6.932 -7.751 413 2HG GLN 52 1HG GLN 52 9.519 -8.138 -7.816 414 1HE2 GLN 52 1HE2 GLN 52 6.638 -7.112 -6.124 415 2HE2 GLN 52 2HE2 GLN 52 6.322 -8.622 -5.343 416 H ILE 53 H ILE 53 13.230 -6.733 -5.495 417 HA ILE 53 HA ILE 53 13.974 -8.300 -7.832 418 HB ILE 53 HB ILE 53 15.643 -6.466 -6.086 419 1HG1 ILE 53 2HG1 ILE 53 14.403 -5.885 -8.790 420 2HG1 ILE 53 1HG1 ILE 53 13.733 -5.344 -7.255 421 1HG2 ILE 53 1HG2 ILE 53 17.022 -8.066 -7.307 422 2HG2 ILE 53 2HG2 ILE 53 17.239 -6.440 -7.951 423 3HG2 ILE 53 3HG2 ILE 53 16.242 -7.606 -8.821 424 1HD1 ILE 53 1HD1 ILE 53 16.428 -4.584 -8.359 425 2HD1 ILE 53 2HD1 ILE 53 15.738 -4.026 -6.834 426 3HD1 ILE 53 3HD1 ILE 53 14.981 -3.580 -8.363 427 HA PRO 54 HA PRO 54 15.510 -11.823 -5.493 428 1HB PRO 54 2HB PRO 54 17.545 -11.904 -7.682 429 2HB PRO 54 1HB PRO 54 16.502 -13.193 -7.069 430 1HG PRO 54 2HG PRO 54 15.958 -12.026 -9.392 431 2HG PRO 54 1HG PRO 54 14.647 -12.439 -8.267 432 1HD PRO 54 2HD PRO 54 15.904 -9.774 -8.824 433 2HD PRO 54 1HD PRO 54 14.201 -10.178 -8.534 434 H ALA 55 H ALA 55 16.922 -11.935 -3.859 435 HA ALA 55 HA ALA 55 18.545 -9.793 -3.130 436 1HB ALA 55 1HB ALA 55 19.395 -11.245 -1.355 437 2HB ALA 55 2HB ALA 55 18.715 -12.654 -2.171 438 3HB ALA 55 3HB ALA 55 17.648 -11.406 -1.527 439 H SER 56 H SER 56 19.314 -12.707 -4.932 440 HA SER 56 HA SER 56 22.172 -12.313 -4.698 441 1HB SER 56 2HB SER 56 21.105 -14.583 -4.707 442 2HB SER 56 1HB SER 56 20.678 -14.329 -6.397 443 HG SER 56 HG SER 56 22.571 -15.205 -6.711 444 H ASP 57 H ASP 57 19.896 -10.788 -6.538 445 HA ASP 57 HA ASP 57 21.196 -10.788 -9.080 446 1HB ASP 57 2HB ASP 57 18.817 -10.190 -8.834 447 2HB ASP 57 1HB ASP 57 19.266 -8.772 -7.890 448 H THR 58 H THR 58 20.899 -8.229 -6.626 449 HA THR 58 HA THR 58 22.440 -6.891 -5.628 450 HB THR 58 HB THR 58 24.535 -8.207 -7.379 451 HG1 THR 58 1HG THR 58 23.140 -9.152 -5.259 452 1HG2 THR 58 1HG2 THR 58 24.807 -6.631 -4.806 453 2HG2 THR 58 2HG2 THR 58 25.268 -6.068 -6.413 454 3HG2 THR 58 3HG2 THR 58 26.120 -7.425 -5.678 455 H GLN 59 H GLN 59 22.465 -7.179 -9.121 456 HA GLN 59 HA GLN 59 23.824 -4.704 -9.629 457 1HB GLN 59 2HB GLN 59 22.034 -6.282 -11.498 458 2HB GLN 59 1HB GLN 59 23.239 -5.085 -11.955 459 1HG GLN 59 2HG GLN 59 25.018 -6.540 -11.146 460 2HG GLN 59 1HG GLN 59 23.824 -7.734 -10.637 461 1HE2 GLN 59 1HE2 GLN 59 23.594 -5.868 -13.604 462 2HE2 GLN 59 2HE2 GLN 59 23.841 -7.199 -14.677 463 H GLN 60 H GLN 60 20.517 -5.714 -10.375 464 HA GLN 60 HA GLN 60 19.352 -3.238 -10.770 465 1HB GLN 60 2HB GLN 60 18.293 -5.904 -9.841 466 2HB GLN 60 1HB GLN 60 17.222 -4.510 -9.929 467 1HG GLN 60 2HG GLN 60 17.208 -6.051 -11.923 468 2HG GLN 60 1HG GLN 60 17.442 -4.341 -12.267 469 1HE2 GLN 60 1HE2 GLN 60 18.989 -7.478 -12.143 470 2HE2 GLN 60 2HE2 GLN 60 20.349 -7.050 -13.118 471 H LEU 61 H LEU 61 19.794 -5.070 -7.786 472 HA LEU 61 HA LEU 61 18.356 -3.494 -6.011 473 1HB LEU 61 2HB LEU 61 20.904 -5.063 -5.582 474 2HB LEU 61 1HB LEU 61 19.992 -4.330 -4.276 475 HG LEU 61 HG LEU 61 18.908 -6.458 -6.136 476 1HD1 LEU 61 1HD1 LEU 61 20.703 -7.338 -4.727 477 2HD1 LEU 61 2HD1 LEU 61 19.136 -7.977 -4.237 478 3HD1 LEU 61 3HD1 LEU 61 19.900 -6.698 -3.292 479 1HD2 LEU 61 1HD2 LEU 61 17.179 -4.990 -5.217 480 2HD2 LEU 61 2HD2 LEU 61 17.787 -5.279 -3.587 481 3HD2 LEU 61 3HD2 LEU 61 17.081 -6.604 -4.514 482 H ALA 62 H ALA 62 21.780 -3.211 -6.946 483 HA ALA 62 HA ALA 62 22.412 -1.041 -5.280 484 1HB ALA 62 1HB ALA 62 24.106 -2.459 -6.332 485 2HB ALA 62 2HB ALA 62 24.386 -0.757 -6.698 486 3HB ALA 62 3HB ALA 62 23.673 -1.816 -7.915 487 H GLN 63 H GLN 63 21.291 -1.146 -8.643 488 HA GLN 63 HA GLN 63 21.558 1.626 -9.141 489 1HB GLN 63 2HB GLN 63 19.740 -0.385 -10.494 490 2HB GLN 63 1HB GLN 63 20.160 1.204 -11.123 491 1HG GLN 63 2HG GLN 63 22.546 0.490 -11.170 492 2HG GLN 63 1HG GLN 63 22.028 -1.126 -10.694 493 1HE2 GLN 63 1HE2 GLN 63 22.084 1.241 -13.221 494 2HE2 GLN 63 2HE2 GLN 63 21.608 0.189 -14.505 495 H GLU 64 H GLU 64 18.729 -0.352 -8.277 496 HA GLU 64 HA GLU 64 16.842 1.716 -8.202 497 1HB GLU 64 2HB GLU 64 16.929 -0.889 -6.654 498 2HB GLU 64 1HB GLU 64 15.527 0.172 -6.727 499 1HG GLU 64 2HG GLU 64 16.805 -1.088 -9.147 500 2HG GLU 64 1HG GLU 64 15.458 -1.797 -8.264 501 H ALA 65 H ALA 65 18.812 0.313 -5.596 502 HA ALA 65 HA ALA 65 17.742 1.745 -3.464 503 1HB ALA 65 1HB ALA 65 19.196 -0.193 -3.172 504 2HB ALA 65 2HB ALA 65 19.791 1.192 -2.253 505 3HB ALA 65 3HB ALA 65 20.569 0.737 -3.771 506 H ARG 66 H ARG 66 20.450 2.604 -5.608 507 HA ARG 66 HA ARG 66 21.243 4.870 -4.092 508 1HB ARG 66 2HB ARG 66 22.657 3.651 -5.827 509 2HB ARG 66 1HB ARG 66 21.731 4.501 -7.059 510 1HG ARG 66 2HG ARG 66 22.443 6.657 -5.962 511 2HG ARG 66 1HG ARG 66 23.536 5.700 -4.963 512 1HD ARG 66 2HD ARG 66 23.587 6.057 -7.954 513 2HD ARG 66 1HD ARG 66 24.812 6.546 -6.784 514 HE ARG 66 HE ARG 66 24.390 3.907 -7.901 515 1HH1 ARG 66 1HH1 ARG 66 25.889 5.732 -5.305 516 2HH1 ARG 66 2HH1 ARG 66 27.147 4.565 -5.049 517 1HH2 ARG 66 1HH2 ARG 66 26.050 2.390 -7.577 518 2HH2 ARG 66 2HH2 ARG 66 27.248 2.674 -6.352 519 H ASN 67 H ASN 67 19.084 4.474 -6.885 520 HA ASN 67 HA ASN 67 18.561 7.228 -7.270 521 1HB ASN 67 2HB ASN 67 17.028 4.731 -7.975 522 2HB ASN 67 1HB ASN 67 16.342 6.325 -8.275 523 1HD2 ASN 67 1HD2 ASN 67 17.245 7.638 -9.842 524 2HD2 ASN 67 2HD2 ASN 67 18.329 7.025 -11.044 525 H ILE 68 H ILE 68 16.839 4.746 -5.395 526 HA ILE 68 HA ILE 68 14.823 6.308 -4.290 527 HB ILE 68 HB ILE 68 16.371 4.062 -2.955 528 1HG1 ILE 68 2HG1 ILE 68 13.744 3.977 -4.472 529 2HG1 ILE 68 1HG1 ILE 68 15.293 3.442 -5.112 530 1HG2 ILE 68 1HG2 ILE 68 14.381 3.794 -1.525 531 2HG2 ILE 68 2HG2 ILE 68 13.674 5.237 -2.251 532 3HG2 ILE 68 3HG2 ILE 68 15.156 5.361 -1.301 533 1HD1 ILE 68 1HD1 ILE 68 15.410 1.724 -3.374 534 2HD1 ILE 68 2HD1 ILE 68 13.967 1.561 -4.374 535 3HD1 ILE 68 3HD1 ILE 68 13.844 2.252 -2.756 536 H TYR 69 H TYR 69 18.144 5.788 -3.214 537 HA TYR 69 HA TYR 69 18.108 7.345 -0.897 538 1HB TYR 69 2HB TYR 69 19.964 5.819 -1.433 539 2HB TYR 69 1HB TYR 69 20.400 6.812 -2.816 540 HD1 TYR 69 1HD TYR 69 21.778 8.720 -2.574 541 HD2 TYR 69 2HD TYR 69 20.249 6.786 0.899 542 HE1 TYR 69 1HE TYR 69 23.244 10.096 -1.168 543 HE2 TYR 69 2HE TYR 69 21.725 8.159 2.314 544 HH TYR 69 HH TYR 69 23.792 9.448 2.118 545 H GLN 70 H GLN 70 19.167 8.243 -4.180 546 HA GLN 70 HA GLN 70 19.777 10.925 -3.367 547 1HB GLN 70 2HB GLN 70 19.783 9.607 -6.087 548 2HB GLN 70 1HB GLN 70 20.359 11.239 -5.773 549 1HG GLN 70 2HG GLN 70 22.088 10.375 -4.301 550 2HG GLN 70 1HG GLN 70 21.488 8.733 -4.532 551 1HE2 GLN 70 1HE2 GLN 70 24.123 9.869 -5.104 552 2HE2 GLN 70 2HE2 GLN 70 24.404 9.591 -6.788 553 H GLU 71 H GLU 71 16.808 9.680 -3.816 554 HA GLU 71 HA GLU 71 15.821 12.205 -4.995 555 1HB GLU 71 2HB GLU 71 15.714 10.172 -6.533 556 2HB GLU 71 1HB GLU 71 14.499 9.523 -5.444 557 1HG GLU 71 2HG GLU 71 13.071 11.457 -5.867 558 2HG GLU 71 1HG GLU 71 14.293 12.135 -6.940 559 H PHE 72 H PHE 72 15.591 9.927 -2.445 560 HA PHE 72 HA PHE 72 13.299 11.439 -1.363 561 1HB PHE 72 2HB PHE 72 13.644 8.436 -1.171 562 2HB PHE 72 1HB PHE 72 12.346 9.374 -0.441 563 HD1 PHE 72 1HD PHE 72 13.501 7.689 -3.400 564 HD2 PHE 72 2HD PHE 72 10.713 10.571 -1.954 565 HE1 PHE 72 1HE PHE 72 12.160 7.412 -5.443 566 HE2 PHE 72 2HE PHE 72 9.369 10.293 -3.997 567 HZ PHE 72 HZ PHE 72 10.091 8.715 -5.742 568 H LEU 73 H LEU 73 16.459 10.370 -0.832 569 HA LEU 73 HA LEU 73 16.097 10.431 2.098 570 1HB LEU 73 2HB LEU 73 17.802 8.481 0.542 571 2HB LEU 73 1HB LEU 73 17.663 8.552 2.291 572 HG LEU 73 HG LEU 73 15.317 7.988 0.468 573 1HD1 LEU 73 1HD1 LEU 73 17.068 6.019 1.931 574 2HD1 LEU 73 2HD1 LEU 73 16.959 6.220 0.184 575 3HD1 LEU 73 3HD1 LEU 73 15.566 5.635 1.092 576 1HD2 LEU 73 1HD2 LEU 73 14.731 8.871 2.667 577 2HD2 LEU 73 2HD2 LEU 73 15.702 7.618 3.441 578 3HD2 LEU 73 3HD2 LEU 73 14.265 7.176 2.519 579 H SER 74 H SER 74 18.111 11.277 -0.615 580 HA SER 74 HA SER 74 20.496 11.692 0.932 581 1HB SER 74 2HB SER 74 20.556 11.040 -1.469 582 2HB SER 74 1HB SER 74 19.874 12.608 -1.893 583 HG SER 74 HG SER 74 21.728 13.590 -1.351 584 H SER 75 H SER 75 19.517 13.097 2.548 585 HA SER 75 HA SER 75 18.954 15.066 3.513 586 1HB SER 75 2HB SER 75 20.571 16.960 2.853 587 2HB SER 75 1HB SER 75 21.266 15.464 3.478 588 HG SER 75 HG SER 75 21.649 14.837 1.303 589 H GLN 76 H GLN 76 19.729 16.525 0.350 590 HA GLN 76 HA GLN 76 17.240 17.987 0.347 591 1HB GLN 76 2HB GLN 76 19.272 17.683 -1.890 592 2HB GLN 76 1HB GLN 76 17.965 18.856 -1.832 593 1HG GLN 76 2HG GLN 76 19.874 20.069 -1.251 594 2HG GLN 76 1HG GLN 76 19.075 19.749 0.287 595 1HE2 GLN 76 1HE2 GLN 76 20.964 19.969 1.480 596 2HE2 GLN 76 2HE2 GLN 76 22.240 18.803 1.425 597 H ALA 77 H ALA 77 18.650 15.863 -2.142 598 HA ALA 77 HA ALA 77 17.825 14.173 -3.402 599 1HB ALA 77 1HB ALA 77 15.846 13.836 -1.145 600 2HB ALA 77 2HB ALA 77 17.469 13.148 -1.196 601 3HB ALA 77 3HB ALA 77 16.258 12.634 -2.368 602 H LEU 78 H LEU 78 16.376 16.956 -3.199 603 HA LEU 78 HA LEU 78 14.867 18.117 -4.410 604 1HB LEU 78 2HB LEU 78 14.526 15.465 -5.797 605 2HB LEU 78 1HB LEU 78 13.483 16.823 -6.168 606 HG LEU 78 HG LEU 78 15.519 18.141 -6.805 607 1HD1 LEU 78 1HD1 LEU 78 16.923 15.487 -6.514 608 2HD1 LEU 78 2HD1 LEU 78 17.199 16.931 -5.538 609 3HD1 LEU 78 3HD1 LEU 78 17.601 16.938 -7.253 610 1HD2 LEU 78 1HD2 LEU 78 15.060 15.573 -8.325 611 2HD2 LEU 78 2HD2 LEU 78 15.827 17.029 -8.963 612 3HD2 LEU 78 3HD2 LEU 78 14.129 17.062 -8.490 613 H SER 79 H SER 79 13.809 15.058 -3.068 614 HA SER 79 HA SER 79 11.534 16.331 -1.809 615 1HB SER 79 2HB SER 79 11.105 13.979 -3.681 616 2HB SER 79 1HB SER 79 9.869 14.797 -2.726 617 HG SER 79 HG SER 79 10.900 16.725 -4.033 618 HA PRO 80 HA PRO 80 13.488 13.008 0.703 619 1HB PRO 80 2HB PRO 80 13.850 14.420 2.961 620 2HB PRO 80 1HB PRO 80 14.948 14.581 1.583 621 1HG PRO 80 2HG PRO 80 12.714 16.378 2.449 622 2HG PRO 80 1HG PRO 80 14.320 16.805 1.833 623 1HD PRO 80 2HD PRO 80 12.011 16.793 0.312 624 2HD PRO 80 1HD PRO 80 13.652 16.638 -0.349 625 H VAL 81 H VAL 81 12.256 11.541 1.709 626 HA VAL 81 HA VAL 81 9.570 12.031 2.478 627 HB VAL 81 HB VAL 81 9.678 9.739 3.522 628 1HG1 VAL 81 1HG1 VAL 81 9.006 10.082 1.183 629 2HG1 VAL 81 2HG1 VAL 81 9.849 8.552 1.413 630 3HG1 VAL 81 3HG1 VAL 81 10.691 9.920 0.682 631 1HG2 VAL 81 1HG2 VAL 81 12.029 9.721 4.166 632 2HG2 VAL 81 2HG2 VAL 81 12.510 9.795 2.470 633 3HG2 VAL 81 3HG2 VAL 81 11.674 8.370 3.088 634 H ASN 82 H ASN 82 12.523 12.502 4.087 635 HA ASN 82 HA ASN 82 13.077 13.347 6.104 636 1HB ASN 82 2HB ASN 82 10.177 14.194 6.002 637 2HB ASN 82 1HB ASN 82 11.275 14.698 7.284 638 1HD2 ASN 82 1HD2 ASN 82 9.893 16.318 5.288 639 2HD2 ASN 82 2HD2 ASN 82 11.127 17.169 4.428 640 H ILE 83 H ILE 83 12.275 10.573 5.999 641 HA ILE 83 HA ILE 83 11.010 9.800 8.402 642 HB ILE 83 HB ILE 83 12.428 7.688 8.155 643 1HG1 ILE 83 2HG1 ILE 83 13.305 9.149 5.645 644 2HG1 ILE 83 1HG1 ILE 83 14.336 8.645 6.979 645 1HG2 ILE 83 1HG2 ILE 83 10.150 7.866 7.293 646 2HG2 ILE 83 2HG2 ILE 83 11.162 6.872 6.248 647 3HG2 ILE 83 3HG2 ILE 83 10.769 8.527 5.777 648 1HD1 ILE 83 1HD1 ILE 83 12.869 6.826 5.082 649 2HD1 ILE 83 2HD1 ILE 83 13.876 6.305 6.433 650 3HD1 ILE 83 3HD1 ILE 83 14.598 7.175 5.082 651 H ASP 84 H ASP 84 12.730 8.279 9.874 652 HA ASP 84 HA ASP 84 13.780 9.973 11.741 653 1HB ASP 84 2HB ASP 84 14.814 7.217 11.025 654 2HB ASP 84 1HB ASP 84 15.201 8.075 12.511 655 H ARG 85 H ARG 85 15.737 8.248 9.320 656 HA ARG 85 HA ARG 85 17.703 8.683 8.310 657 1HB ARG 85 2HB ARG 85 17.162 11.535 9.159 658 2HB ARG 85 1HB ARG 85 18.510 11.053 8.135 659 1HG ARG 85 2HG ARG 85 16.860 10.104 6.518 660 2HG ARG 85 1HG ARG 85 15.571 10.785 7.511 661 1HD ARG 85 2HD ARG 85 17.768 12.332 6.129 662 2HD ARG 85 1HD ARG 85 16.082 12.240 5.620 663 HE ARG 85 HE ARG 85 16.797 13.363 8.251 664 1HH1 ARG 85 1HH1 ARG 85 15.368 13.765 5.079 665 2HH1 ARG 85 2HH1 ARG 85 14.629 15.285 5.464 666 1HH2 ARG 85 1HH2 ARG 85 15.862 15.364 8.748 667 2HH2 ARG 85 2HH2 ARG 85 14.917 16.202 7.557 668 H GLN 86 H GLN 86 17.593 10.435 11.429 669 HA GLN 86 HA GLN 86 20.268 10.202 12.124 670 1HB GLN 86 2HB GLN 86 17.801 10.180 13.880 671 2HB GLN 86 1HB GLN 86 19.440 10.333 14.500 672 1HG GLN 86 2HG GLN 86 18.202 12.256 12.536 673 2HG GLN 86 1HG GLN 86 18.188 12.482 14.284 674 1HE2 GLN 86 1HE2 GLN 86 19.377 14.385 14.143 675 2HE2 GLN 86 2HE2 GLN 86 21.063 14.403 13.759 676 H ALA 87 H ALA 87 17.721 7.817 12.229 677 HA ALA 87 HA ALA 87 19.570 5.847 13.427 678 1HB ALA 87 1HB ALA 87 17.483 6.192 14.674 679 2HB ALA 87 2HB ALA 87 17.572 4.558 14.016 680 3HB ALA 87 3HB ALA 87 16.551 5.770 13.238 681 H TRP 88 H TRP 88 19.470 6.752 10.595 682 HA TRP 88 HA TRP 88 18.305 4.486 9.164 683 1HB TRP 88 2HB TRP 88 18.114 6.985 8.490 684 2HB TRP 88 1HB TRP 88 19.758 6.807 7.894 685 HD1 TRP 88 HD TRP 88 16.293 5.144 7.374 686 HE1 TRP 88 1HE TRP 88 16.114 4.414 4.920 687 HE3 TRP 88 3HE TRP 88 20.977 6.464 5.808 688 HZ2 TRP 88 2HZ TRP 88 17.753 4.409 2.619 689 HZ3 TRP 88 3HZ TRP 88 21.588 6.060 3.454 690 HH2 TRP 88 HH TRP 88 20.005 5.055 1.900 691 H LEU 89 H LEU 89 19.857 3.990 7.090 692 HA LEU 89 HA LEU 89 21.978 2.460 8.215 693 1HB LEU 89 2HB LEU 89 21.343 3.004 5.305 694 2HB LEU 89 1HB LEU 89 22.434 1.771 5.895 695 HG LEU 89 HG LEU 89 20.439 0.666 5.261 696 1HD1 LEU 89 1HD1 LEU 89 19.635 -0.337 7.320 697 2HD1 LEU 89 2HD1 LEU 89 20.383 0.958 8.257 698 3HD1 LEU 89 3HD1 LEU 89 21.389 -0.159 7.333 699 1HD2 LEU 89 1HD2 LEU 89 18.216 1.243 6.106 700 2HD2 LEU 89 2HD2 LEU 89 18.924 2.558 5.172 701 3HD2 LEU 89 3HD2 LEU 89 18.894 2.646 6.933 702 H GLY 90 H GLY 90 22.291 4.582 5.388 703 1HA GLY 90 2HA GLY 90 23.689 6.640 5.645 704 2HA GLY 90 1HA GLY 90 24.824 5.616 6.515 705 H GLU 91 H GLU 91 26.118 6.729 4.685 706 HA GLU 91 HA GLU 91 25.952 6.073 2.011 707 1HB GLU 91 2HB GLU 91 28.562 6.287 3.529 708 2HB GLU 91 1HB GLU 91 28.291 6.623 1.824 709 1HG GLU 91 2HG GLU 91 27.364 8.227 4.194 710 2HG GLU 91 1HG GLU 91 28.510 8.701 2.940 711 H GLU 92 H GLU 92 27.009 4.084 4.656 712 HA GLU 92 HA GLU 92 28.652 2.298 3.203 713 1HB GLU 92 2HB GLU 92 28.494 0.863 5.217 714 2HB GLU 92 1HB GLU 92 28.906 2.530 5.598 715 1HG GLU 92 2HG GLU 92 26.541 2.939 6.205 716 2HG GLU 92 1HG GLU 92 26.201 1.233 5.913 717 H VAL 93 H VAL 93 25.235 2.575 3.514 718 HA VAL 93 HA VAL 93 24.685 -0.200 3.074 719 HB VAL 93 HB VAL 93 23.133 1.471 4.236 720 1HG1 VAL 93 1HG1 VAL 93 22.333 2.107 1.394 721 2HG1 VAL 93 2HG1 VAL 93 23.178 3.201 2.488 722 3HG1 VAL 93 3HG1 VAL 93 21.537 2.675 2.863 723 1HG2 VAL 93 1HG2 VAL 93 22.016 -0.364 2.113 724 2HG2 VAL 93 2HG2 VAL 93 21.110 0.285 3.480 725 3HG2 VAL 93 3HG2 VAL 93 22.465 -0.810 3.759 726 H LEU 94 H LEU 94 25.358 2.527 1.072 727 HA LEU 94 HA LEU 94 24.285 1.414 -1.363 728 1HB LEU 94 2HB LEU 94 26.228 3.664 -0.833 729 2HB LEU 94 1HB LEU 94 25.749 3.189 -2.448 730 HG LEU 94 HG LEU 94 24.453 5.091 -1.916 731 1HD1 LEU 94 1HD1 LEU 94 22.708 2.674 -1.452 732 2HD1 LEU 94 2HD1 LEU 94 23.185 3.335 -3.017 733 3HD1 LEU 94 3HD1 LEU 94 22.155 4.277 -1.940 734 1HD2 LEU 94 1HD2 LEU 94 23.690 3.775 0.690 735 2HD2 LEU 94 2HD2 LEU 94 23.093 5.326 0.094 736 3HD2 LEU 94 3HD2 LEU 94 24.799 5.132 0.495 737 H ALA 95 H ALA 95 27.098 1.023 0.515 738 HA ALA 95 HA ALA 95 28.925 0.167 -1.476 739 1HB ALA 95 1HB ALA 95 28.871 -0.515 1.466 740 2HB ALA 95 2HB ALA 95 29.642 0.902 0.749 741 3HB ALA 95 3HB ALA 95 30.244 -0.714 0.375 742 H GLU 96 H GLU 96 26.421 -1.470 0.358 743 HA GLU 96 HA GLU 96 26.693 -3.764 -1.417 744 1HB GLU 96 2HB GLU 96 26.449 -5.362 0.490 745 2HB GLU 96 1HB GLU 96 27.991 -4.521 0.448 746 1HG GLU 96 2HG GLU 96 27.305 -3.061 2.242 747 2HG GLU 96 1HG GLU 96 25.677 -3.741 2.219 748 HA PRO 97 HA PRO 97 22.268 -2.883 -1.101 749 1HB PRO 97 2HB PRO 97 21.562 -4.048 -3.423 750 2HB PRO 97 1HB PRO 97 22.321 -2.449 -3.372 751 1HG PRO 97 2HG PRO 97 23.563 -5.115 -3.966 752 2HG PRO 97 1HG PRO 97 23.812 -3.560 -4.782 753 1HD PRO 97 2HD PRO 97 25.535 -4.569 -2.912 754 2HD PRO 97 1HD PRO 97 25.319 -2.832 -3.201 755 H ARG 98 H ARG 98 20.463 -4.194 -0.683 756 HA ARG 98 HA ARG 98 20.498 -7.028 -0.808 757 1HB ARG 98 2HB ARG 98 20.598 -7.470 1.643 758 2HB ARG 98 1HB ARG 98 22.112 -6.852 1.001 759 1HG ARG 98 2HG ARG 98 21.281 -4.548 1.797 760 2HG ARG 98 1HG ARG 98 20.101 -5.459 2.738 761 1HD ARG 98 2HD ARG 98 23.102 -5.772 2.898 762 2HD ARG 98 1HD ARG 98 22.093 -4.909 4.061 763 HE ARG 98 HE ARG 98 20.971 -7.340 4.071 764 1HH1 ARG 98 1HH1 ARG 98 24.336 -6.353 4.319 765 2HH1 ARG 98 2HH1 ARG 98 24.777 -7.698 5.322 766 1HH2 ARG 98 1HH2 ARG 98 21.566 -9.115 5.361 767 2HH2 ARG 98 2HH2 ARG 98 23.203 -9.267 5.915 768 HA PRO 99 HA PRO 99 16.227 -6.249 -0.705 769 1HB PRO 99 2HB PRO 99 15.182 -8.517 0.396 770 2HB PRO 99 1HB PRO 99 15.885 -8.466 -1.224 771 1HG PRO 99 2HG PRO 99 17.144 -9.352 1.355 772 2HG PRO 99 1HG PRO 99 17.174 -10.149 -0.231 773 1HD PRO 99 2HD PRO 99 19.251 -8.682 0.635 774 2HD PRO 99 1HD PRO 99 18.773 -8.682 -1.076 775 H ASP 100 H ASP 100 17.921 -6.374 2.176 776 HA ASP 100 HA ASP 100 15.548 -5.595 3.755 777 1HB ASP 100 2HB ASP 100 16.664 -6.522 5.737 778 2HB ASP 100 1HB ASP 100 16.457 -7.753 4.499 779 H MET 101 H MET 101 17.510 -3.977 2.144 780 HA MET 101 HA MET 101 19.229 -2.558 3.868 781 1HB MET 101 2HB MET 101 17.970 -1.806 1.227 782 2HB MET 101 1HB MET 101 19.083 -0.741 2.073 783 1HG MET 101 2HG MET 101 20.861 -2.309 1.872 784 2HG MET 101 1HG MET 101 19.769 -3.557 1.282 785 1HE MET 101 1HE MET 101 21.164 0.117 -1.133 786 2HE MET 101 2HE MET 101 21.786 -0.337 0.454 787 3HE MET 101 3HE MET 101 20.143 0.282 0.295 788 H PHE 102 H PHE 102 16.226 -1.238 2.435 789 HA PHE 102 HA PHE 102 16.256 0.786 4.567 790 1HB PHE 102 2HB PHE 102 14.653 0.806 2.000 791 2HB PHE 102 1HB PHE 102 14.908 2.155 3.099 792 HD1 PHE 102 1HD PHE 102 15.431 2.114 0.114 793 HD2 PHE 102 2HD PHE 102 17.973 1.356 3.459 794 HE1 PHE 102 1HE PHE 102 17.379 2.803 -1.214 795 HE2 PHE 102 2HE PHE 102 19.918 2.048 2.125 796 HZ PHE 102 HZ PHE 102 19.626 2.775 -0.209 797 H ARG 103 H ARG 103 14.818 -2.089 4.196 798 HA ARG 103 HA ARG 103 12.100 -1.825 4.177 799 1HB ARG 103 2HB ARG 103 12.064 -3.976 5.530 800 2HB ARG 103 1HB ARG 103 12.998 -3.997 4.043 801 1HG ARG 103 2HG ARG 103 14.377 -5.110 5.525 802 2HG ARG 103 1HG ARG 103 15.025 -3.472 5.561 803 1HD ARG 103 2HD ARG 103 14.937 -4.210 7.809 804 2HD ARG 103 1HD ARG 103 13.600 -3.081 7.612 805 HE ARG 103 HE ARG 103 13.102 -5.964 7.360 806 1HH1 ARG 103 1HH1 ARG 103 12.630 -2.972 9.101 807 2HH1 ARG 103 2HH1 ARG 103 11.420 -3.617 10.156 808 1HH2 ARG 103 1HH2 ARG 103 11.516 -6.833 8.749 809 2HH2 ARG 103 2HH2 ARG 103 10.791 -5.827 9.965 810 H ALA 104 H ALA 104 14.195 -1.048 6.848 811 HA ALA 104 HA ALA 104 12.318 -1.225 8.948 812 1HB ALA 104 1HB ALA 104 13.893 0.131 10.234 813 2HB ALA 104 2HB ALA 104 14.775 0.520 8.757 814 3HB ALA 104 3HB ALA 104 14.728 -1.143 9.344 815 H GLN 105 H GLN 105 13.662 1.810 7.633 816 HA GLN 105 HA GLN 105 11.455 3.293 8.699 817 1HB GLN 105 2HB GLN 105 13.854 4.109 7.064 818 2HB GLN 105 1HB GLN 105 12.624 5.248 7.608 819 1HG GLN 105 2HG GLN 105 13.074 4.659 9.928 820 2HG GLN 105 1HG GLN 105 14.268 3.475 9.413 821 1HE2 GLN 105 1HE2 GLN 105 15.913 4.430 10.563 822 2HE2 GLN 105 2HE2 GLN 105 16.621 5.935 10.103 823 H GLN 106 H GLN 106 12.032 1.674 5.791 824 HA GLN 106 HA GLN 106 10.313 2.992 4.016 825 1HB GLN 106 2HB GLN 106 11.723 1.099 3.344 826 2HB GLN 106 1HB GLN 106 10.812 0.023 4.394 827 1HG GLN 106 2HG GLN 106 8.789 0.509 2.997 828 2HG GLN 106 1HG GLN 106 9.844 1.385 1.887 829 1HE2 GLN 106 1HE2 GLN 106 8.250 -0.974 1.367 830 2HE2 GLN 106 2HE2 GLN 106 9.349 -2.213 0.871 831 H LEU 107 H LEU 107 9.683 0.489 6.458 832 HA LEU 107 HA LEU 107 6.879 0.383 6.053 833 1HB LEU 107 2HB LEU 107 8.281 -1.384 7.160 834 2HB LEU 107 1HB LEU 107 8.406 -0.337 8.562 835 HG LEU 107 HG LEU 107 5.907 -0.419 8.769 836 1HD1 LEU 107 1HD1 LEU 107 5.355 -0.981 6.471 837 2HD1 LEU 107 2HD1 LEU 107 4.689 -2.175 7.584 838 3HD1 LEU 107 3HD1 LEU 107 6.137 -2.553 6.651 839 1HD2 LEU 107 1HD2 LEU 107 7.329 -3.081 8.885 840 2HD2 LEU 107 2HD2 LEU 107 5.840 -2.664 9.734 841 3HD2 LEU 107 3HD2 LEU 107 7.345 -1.843 10.142 842 H GLN 108 H GLN 108 8.945 2.526 7.828 843 HA GLN 108 HA GLN 108 7.071 3.606 9.640 844 1HB GLN 108 2HB GLN 108 9.528 3.994 9.770 845 2HB GLN 108 1HB GLN 108 9.426 5.007 8.337 846 1HG GLN 108 2HG GLN 108 9.543 6.370 10.328 847 2HG GLN 108 1HG GLN 108 7.976 6.570 9.546 848 1HE2 GLN 108 1HE2 GLN 108 9.664 5.245 12.288 849 2HE2 GLN 108 2HE2 GLN 108 8.266 4.980 13.274 850 H ILE 109 H ILE 109 7.983 4.529 6.326 851 HA ILE 109 HA ILE 109 6.173 6.658 5.998 852 HB ILE 109 HB ILE 109 7.341 4.712 4.001 853 1HG1 ILE 109 2HG1 ILE 109 8.933 6.285 4.986 854 2HG1 ILE 109 1HG1 ILE 109 8.665 6.680 3.295 855 1HG2 ILE 109 1HG2 ILE 109 6.525 6.195 2.205 856 2HG2 ILE 109 2HG2 ILE 109 5.593 7.101 3.398 857 3HG2 ILE 109 3HG2 ILE 109 5.214 5.408 3.081 858 1HD1 ILE 109 1HD1 ILE 109 7.413 8.088 5.643 859 2HD1 ILE 109 2HD1 ILE 109 7.181 8.495 3.942 860 3HD1 ILE 109 3HD1 ILE 109 8.772 8.671 4.682 861 H PHE 110 H PHE 110 5.802 3.188 5.374 862 HA PHE 110 HA PHE 110 3.209 3.153 4.384 863 1HB PHE 110 2HB PHE 110 4.700 1.175 4.461 864 2HB PHE 110 1HB PHE 110 4.516 1.106 6.208 865 HD1 PHE 110 1HD PHE 110 2.429 0.334 7.215 866 HD2 PHE 110 2HD PHE 110 2.930 0.452 2.986 867 HE1 PHE 110 1HE PHE 110 0.453 -1.105 6.942 868 HE2 PHE 110 2HE PHE 110 0.952 -0.982 2.710 869 HZ PHE 110 HZ PHE 110 -0.291 -1.761 4.690 870 H ASN 111 H ASN 111 4.280 2.881 7.761 871 HA ASN 111 HA ASN 111 1.671 2.806 8.880 872 1HB ASN 111 2HB ASN 111 4.386 3.362 10.092 873 2HB ASN 111 1HB ASN 111 2.909 3.315 11.048 874 1HD2 ASN 111 1HD2 ASN 111 5.301 1.614 11.119 875 2HD2 ASN 111 2HD2 ASN 111 4.727 -0.002 10.914 876 H LEU 112 H LEU 112 3.624 5.378 7.733 877 HA LEU 112 HA LEU 112 2.656 7.474 9.377 878 1HB LEU 112 2HB LEU 112 4.682 7.430 7.762 879 2HB LEU 112 1HB LEU 112 3.525 7.821 6.508 880 HG LEU 112 HG LEU 112 4.004 9.536 8.959 881 1HD1 LEU 112 1HD1 LEU 112 5.270 11.019 7.485 882 2HD1 LEU 112 2HD1 LEU 112 5.088 9.868 6.160 883 3HD1 LEU 112 3HD1 LEU 112 6.021 9.427 7.590 884 1HD2 LEU 112 1HD2 LEU 112 2.532 10.113 6.381 885 2HD2 LEU 112 2HD2 LEU 112 2.833 11.273 7.676 886 3HD2 LEU 112 3HD2 LEU 112 1.800 9.874 7.967 887 H MET 113 H MET 113 1.776 6.575 6.025 888 HA MET 113 HA MET 113 -0.552 8.295 6.132 889 1HB MET 113 2HB MET 113 0.374 6.399 3.966 890 2HB MET 113 1HB MET 113 -0.959 7.530 3.815 891 1HG MET 113 2HG MET 113 1.932 8.251 4.265 892 2HG MET 113 1HG MET 113 1.031 8.419 2.758 893 1HE MET 113 1HE MET 113 1.574 12.141 4.010 894 2HE MET 113 2HE MET 113 1.877 10.999 2.701 895 3HE MET 113 3HE MET 113 2.687 10.795 4.256 896 H LYS 114 H LYS 114 0.120 5.074 6.928 897 HA LYS 114 HA LYS 114 -2.232 3.721 6.290 898 1HB LYS 114 2HB LYS 114 -0.216 2.603 7.095 899 2HB LYS 114 1HB LYS 114 -0.391 3.363 8.670 900 1HG LYS 114 2HG LYS 114 -2.387 2.096 9.121 901 2HG LYS 114 1HG LYS 114 -2.385 1.436 7.482 902 1HD LYS 114 2HD LYS 114 -0.309 0.257 7.922 903 2HD LYS 114 1HD LYS 114 -0.195 0.991 9.521 904 1HE LYS 114 2HE LYS 114 -2.460 -0.805 8.644 905 2HE LYS 114 1HE LYS 114 -1.029 -1.371 9.505 906 1HZ LYS 114 1HZ LYS 114 -1.597 0.087 11.343 907 2HZ LYS 114 2HZ LYS 114 -2.870 -0.976 11.013 908 3HZ LYS 114 3HZ LYS 114 -2.971 0.638 10.515 909 H PHE 115 H PHE 115 -1.659 6.156 8.675 910 HA PHE 115 HA PHE 115 -4.324 5.665 9.856 911 1HB PHE 115 2HB PHE 115 -1.879 6.900 11.156 912 2HB PHE 115 1HB PHE 115 -3.464 6.765 11.909 913 HD1 PHE 115 1HD PHE 115 -0.377 5.054 11.094 914 HD2 PHE 115 2HD PHE 115 -4.369 4.521 12.487 915 HE1 PHE 115 1HE PHE 115 0.224 2.833 11.958 916 HE2 PHE 115 2HE PHE 115 -3.769 2.298 13.353 917 HZ PHE 115 HZ PHE 115 -1.471 1.452 13.091 918 H ASP 116 H ASP 116 -3.469 7.387 7.480 919 HA ASP 116 HA ASP 116 -4.912 9.756 8.309 920 1HB ASP 116 2HB ASP 116 -2.517 10.217 8.938 921 2HB ASP 116 1HB ASP 116 -2.111 10.125 7.227 922 H SER 117 H SER 117 -2.612 9.427 5.614 923 HA SER 117 HA SER 117 -4.375 10.505 3.737 924 1HB SER 117 2HB SER 117 -1.887 10.392 3.486 925 2HB SER 117 1HB SER 117 -2.035 8.669 3.147 926 HG SER 117 HG SER 117 -2.533 10.829 1.533 927 H TYR 118 H TYR 118 -3.632 7.125 4.526 928 HA TYR 118 HA TYR 118 -5.306 5.819 2.745 929 1HB TYR 118 2HB TYR 118 -3.885 4.539 4.191 930 2HB TYR 118 1HB TYR 118 -4.639 5.209 5.633 931 HD1 TYR 118 1HD TYR 118 -5.970 3.720 6.787 932 HD2 TYR 118 2HD TYR 118 -5.793 3.415 2.540 933 HE1 TYR 118 1HE TYR 118 -7.523 1.820 6.862 934 HE2 TYR 118 2HE TYR 118 -7.346 1.510 2.610 935 HH TYR 118 HH TYR 118 -8.156 -0.152 4.114 936 H ALA 119 H ALA 119 -6.115 7.201 5.925 937 HA ALA 119 HA ALA 119 -8.871 6.542 5.844 938 1HB ALA 119 1HB ALA 119 -9.098 8.099 7.720 939 2HB ALA 119 2HB ALA 119 -7.473 8.713 7.414 940 3HB ALA 119 3HB ALA 119 -7.702 7.044 7.933 941 H ARG 120 H ARG 120 -7.008 9.121 4.498 942 HA ARG 120 HA ARG 120 -9.153 10.930 3.967 943 1HB ARG 120 2HB ARG 120 -6.823 11.673 4.089 944 2HB ARG 120 1HB ARG 120 -6.402 10.650 2.727 945 1HG ARG 120 2HG ARG 120 -7.726 12.021 1.232 946 2HG ARG 120 1HG ARG 120 -8.292 13.002 2.590 947 1HD ARG 120 2HD ARG 120 -5.990 13.713 3.039 948 2HD ARG 120 1HD ARG 120 -5.414 12.720 1.704 949 HE ARG 120 HE ARG 120 -6.354 14.246 0.177 950 1HH1 ARG 120 1HH1 ARG 120 -6.864 15.256 3.492 951 2HH1 ARG 120 2HH1 ARG 120 -7.059 16.931 3.087 952 1HH2 ARG 120 1HH2 ARG 120 -6.580 16.446 -0.360 953 2HH2 ARG 120 2HH2 ARG 120 -6.878 17.615 0.892 954 H PHE 121 H PHE 121 -7.485 8.420 2.129 955 HA PHE 121 HA PHE 121 -8.744 8.885 -0.352 956 1HB PHE 121 2HB PHE 121 -6.660 7.571 -0.122 957 2HB PHE 121 1HB PHE 121 -7.559 6.297 0.696 958 HD1 PHE 121 1HD PHE 121 -8.823 4.695 -0.545 959 HD2 PHE 121 2HD PHE 121 -7.104 8.050 -2.516 960 HE1 PHE 121 1HE PHE 121 -9.333 3.680 -2.722 961 HE2 PHE 121 2HE PHE 121 -7.612 7.044 -4.696 962 HZ PHE 121 HZ PHE 121 -8.730 4.850 -4.803 963 H VAL 122 H VAL 122 -9.520 6.660 2.299 964 HA VAL 122 HA VAL 122 -11.646 5.371 0.890 965 HB VAL 122 HB VAL 122 -12.156 4.240 2.976 966 1HG1 VAL 122 1HG1 VAL 122 -9.988 3.193 3.428 967 2HG1 VAL 122 2HG1 VAL 122 -9.169 4.519 2.601 968 3HG1 VAL 122 3HG1 VAL 122 -10.232 3.440 1.700 969 1HG2 VAL 122 1HG2 VAL 122 -10.964 4.767 5.070 970 2HG2 VAL 122 2HG2 VAL 122 -11.985 6.102 4.536 971 3HG2 VAL 122 3HG2 VAL 122 -10.240 6.175 4.291 972 H LYS 123 H LYS 123 -11.558 8.458 1.901 973 HA LYS 123 HA LYS 123 -14.458 8.521 2.478 974 1HB LYS 123 2HB LYS 123 -12.333 10.549 3.223 975 2HB LYS 123 1HB LYS 123 -14.051 10.739 3.515 976 1HG LYS 123 2HG LYS 123 -13.898 8.609 4.903 977 2HG LYS 123 1HG LYS 123 -12.148 8.802 4.798 978 1HD LYS 123 2HD LYS 123 -14.152 10.665 6.073 979 2HD LYS 123 1HD LYS 123 -12.825 9.803 6.852 980 1HE LYS 123 2HE LYS 123 -12.554 12.041 4.837 981 2HE LYS 123 1HE LYS 123 -12.306 12.176 6.577 982 1HZ LYS 123 1HZ LYS 123 -10.407 10.796 6.452 983 2HZ LYS 123 2HZ LYS 123 -10.243 11.940 5.223 984 3HZ LYS 123 3HZ LYS 123 -10.722 10.361 4.851 985 H SER 124 H SER 124 -11.836 9.705 0.518 986 HA SER 124 HA SER 124 -13.184 11.881 -0.692 987 1HB SER 124 2HB SER 124 -11.277 11.705 -2.367 988 2HB SER 124 1HB SER 124 -10.792 11.890 -0.681 989 HG SER 124 HG SER 124 -11.106 9.281 -1.549 990 HA PRO 125 HA PRO 125 -15.505 10.102 -4.101 991 1HB PRO 125 2HB PRO 125 -13.933 11.897 -5.898 992 2HB PRO 125 1HB PRO 125 -15.685 11.724 -5.733 993 1HG PRO 125 2HG PRO 125 -14.442 13.848 -4.723 994 2HG PRO 125 1HG PRO 125 -15.773 13.072 -3.839 995 1HD PRO 125 2HD PRO 125 -12.817 12.878 -3.370 996 2HD PRO 125 1HD PRO 125 -14.142 12.987 -2.190 997 H LEU 126 H LEU 126 -14.793 9.607 -6.668 998 HA LEU 126 HA LEU 126 -13.754 8.104 -8.002 999 1HB LEU 126 2HB LEU 126 -11.426 8.502 -6.112 1000 2HB LEU 126 1HB LEU 126 -11.346 7.523 -7.564 1001 HG LEU 126 HG LEU 126 -11.965 10.485 -7.539 1002 1HD1 LEU 126 1HD1 LEU 126 -9.392 9.067 -8.230 1003 2HD1 LEU 126 2HD1 LEU 126 -9.676 10.058 -6.798 1004 3HD1 LEU 126 3HD1 LEU 126 -9.706 10.795 -8.399 1005 1HD2 LEU 126 1HD2 LEU 126 -12.929 9.323 -9.452 1006 2HD2 LEU 126 2HD2 LEU 126 -11.368 8.582 -9.810 1007 3HD2 LEU 126 3HD2 LEU 126 -11.571 10.329 -9.959 1008 H TYR 127 H TYR 127 -12.745 7.295 -4.650 1009 HA TYR 127 HA TYR 127 -12.945 4.505 -4.984 1010 1HB TYR 127 2HB TYR 127 -11.767 5.761 -3.102 1011 2HB TYR 127 1HB TYR 127 -13.350 6.008 -2.381 1012 HD1 TYR 127 1HD TYR 127 -11.354 4.767 -0.765 1013 HD2 TYR 127 2HD TYR 127 -13.892 2.920 -3.645 1014 HE1 TYR 127 1HE TYR 127 -11.117 2.619 0.400 1015 HE2 TYR 127 2HE TYR 127 -13.658 0.775 -2.478 1016 HH TYR 127 HH TYR 127 -12.006 -0.314 -0.971 1017 H ARG 128 H ARG 128 -15.139 6.613 -3.110 1018 HA ARG 128 HA ARG 128 -17.246 4.763 -2.950 1019 1HB ARG 128 2HB ARG 128 -18.633 6.633 -2.243 1020 2HB ARG 128 1HB ARG 128 -17.048 6.744 -1.490 1021 1HG ARG 128 2HG ARG 128 -16.392 8.425 -3.177 1022 2HG ARG 128 1HG ARG 128 -18.019 8.345 -3.855 1023 1HD ARG 128 2HD ARG 128 -18.925 9.041 -1.652 1024 2HD ARG 128 1HD ARG 128 -17.271 9.217 -1.063 1025 HE ARG 128 HE ARG 128 -18.075 10.743 -3.430 1026 1HH1 ARG 128 1HH1 ARG 128 -17.227 10.717 -0.025 1027 2HH1 ARG 128 2HH1 ARG 128 -17.064 12.441 0.069 1028 1HH2 ARG 128 1HH2 ARG 128 -17.848 12.996 -3.301 1029 2HH2 ARG 128 2HH2 ARG 128 -17.404 13.735 -1.788 1030 H GLU 129 H GLU 129 -16.237 6.860 -5.494 1031 HA GLU 129 HA GLU 129 -18.668 6.929 -6.972 1032 1HB GLU 129 2HB GLU 129 -16.790 8.537 -7.278 1033 2HB GLU 129 1HB GLU 129 -15.819 7.240 -7.960 1034 1HG GLU 129 2HG GLU 129 -17.385 7.019 -9.812 1035 2HG GLU 129 1HG GLU 129 -18.400 8.283 -9.117 1036 H CYS 130 H CYS 130 -15.966 4.704 -6.748 1037 HA CYS 130 HA CYS 130 -16.758 3.045 -8.942 1038 1HB CYS 130 2HB CYS 130 -14.996 2.434 -6.553 1039 2HB CYS 130 1HB CYS 130 -15.172 1.400 -7.967 1040 HG CYS 130 HG CYS 130 -14.157 4.598 -8.446 1041 H LEU 131 H LEU 131 -17.560 3.270 -5.545 1042 HA LEU 131 HA LEU 131 -19.083 0.838 -5.460 1043 1HB LEU 131 2HB LEU 131 -18.956 3.261 -3.667 1044 2HB LEU 131 1HB LEU 131 -20.162 2.016 -3.415 1045 HG LEU 131 HG LEU 131 -18.337 0.348 -3.121 1046 1HD1 LEU 131 1HD1 LEU 131 -16.520 2.756 -3.201 1047 2HD1 LEU 131 2HD1 LEU 131 -16.592 1.472 -4.408 1048 3HD1 LEU 131 3HD1 LEU 131 -16.050 1.110 -2.770 1049 1HD2 LEU 131 1HD2 LEU 131 -19.378 1.396 -1.184 1050 2HD2 LEU 131 2HD2 LEU 131 -18.231 2.732 -1.269 1051 3HD2 LEU 131 3HD2 LEU 131 -17.665 1.104 -0.888 1052 H LEU 132 H LEU 132 -20.467 4.056 -4.859 1053 HA LEU 132 HA LEU 132 -22.363 3.620 -7.077 1054 1HB LEU 132 2HB LEU 132 -22.958 4.675 -4.306 1055 2HB LEU 132 1HB LEU 132 -24.018 4.968 -5.667 1056 HG LEU 132 HG LEU 132 -24.211 2.437 -5.903 1057 1HD1 LEU 132 1HD1 LEU 132 -22.954 2.522 -3.161 1058 2HD1 LEU 132 2HD1 LEU 132 -22.301 1.738 -4.599 1059 3HD1 LEU 132 3HD1 LEU 132 -23.778 1.127 -3.857 1060 1HD2 LEU 132 1HD2 LEU 132 -25.258 3.732 -3.383 1061 2HD2 LEU 132 2HD2 LEU 132 -25.909 2.285 -4.153 1062 3HD2 LEU 132 3HD2 LEU 132 -25.990 3.837 -4.984 1063 H ALA 133 H ALA 133 -21.486 6.184 -4.761 1064 HA ALA 133 HA ALA 133 -20.254 7.954 -6.502 1065 1HB ALA 133 1HB ALA 133 -22.413 7.976 -7.704 1066 2HB ALA 133 2HB ALA 133 -22.052 9.550 -7.000 1067 3HB ALA 133 3HB ALA 133 -23.226 8.486 -6.225 1068 H GLU 134 H GLU 134 -21.621 10.326 -5.423 1069 HA GLU 134 HA GLU 134 -20.388 10.586 -2.898 1070 1HB GLU 134 2HB GLU 134 -22.356 12.241 -4.451 1071 2HB GLU 134 1HB GLU 134 -22.020 12.652 -2.777 1072 1HG GLU 134 2HG GLU 134 -20.695 13.925 -4.459 1073 2HG GLU 134 1HG GLU 134 -19.738 13.086 -3.241 1074 H ALA 135 H ALA 135 -23.134 8.894 -3.731 1075 HA ALA 135 HA ALA 135 -24.933 9.270 -1.662 1076 1HB ALA 135 1HB ALA 135 -25.375 7.802 -3.565 1077 2HB ALA 135 2HB ALA 135 -25.630 6.949 -2.042 1078 3HB ALA 135 3HB ALA 135 -24.163 6.661 -2.980 1079 H GLU 136 H GLU 136 -21.917 7.431 -1.725 1080 HA GLU 136 HA GLU 136 -22.159 6.538 0.995 1081 1HB GLU 136 2HB GLU 136 -19.788 6.615 -0.887 1082 2HB GLU 136 1HB GLU 136 -19.729 5.954 0.740 1083 1HG GLU 136 2HG GLU 136 -19.951 4.173 -0.861 1084 2HG GLU 136 1HG GLU 136 -21.414 4.281 0.115 Start of MODEL 11 1 1H SER 1 1HT SER 1 -17.357 -9.106 2.486 2 2H SER 1 2HT SER 1 -16.894 -10.622 3.073 3 3H SER 1 3HT SER 1 -15.757 -9.628 2.324 4 HA SER 1 HA SER 1 -15.908 -8.028 4.084 5 1HB SER 1 2HB SER 1 -17.825 -10.015 5.350 6 2HB SER 1 1HB SER 1 -17.287 -8.490 6.057 7 HG SER 1 HG SER 1 -19.395 -8.818 4.604 8 H MET 2 H MET 2 -13.950 -8.239 4.975 9 HA MET 2 HA MET 2 -12.020 -9.138 5.765 10 1HB MET 2 2HB MET 2 -13.643 -9.736 7.654 11 2HB MET 2 1HB MET 2 -13.715 -11.348 6.965 12 1HG MET 2 2HG MET 2 -11.379 -11.697 7.393 13 2HG MET 2 1HG MET 2 -11.176 -10.022 7.902 14 1HE MET 2 1HE MET 2 -13.809 -9.546 9.636 15 2HE MET 2 2HE MET 2 -12.206 -9.028 10.162 16 3HE MET 2 3HE MET 2 -13.233 -9.961 11.249 17 H THR 3 H THR 3 -10.729 -11.404 5.783 18 HA THR 3 HA THR 3 -9.611 -12.781 4.368 19 HB THR 3 HB THR 3 -11.319 -14.310 5.299 20 HG1 THR 3 1HG THR 3 -10.863 -14.958 2.570 21 1HG2 THR 3 1HG2 THR 3 -12.873 -13.747 2.763 22 2HG2 THR 3 2HG2 THR 3 -13.369 -13.322 4.402 23 3HG2 THR 3 3HG2 THR 3 -13.239 -15.017 3.931 24 H GLU 4 H GLU 4 -9.960 -10.420 3.204 25 HA GLU 4 HA GLU 4 -9.967 -9.244 1.291 26 1HB GLU 4 2HB GLU 4 -9.829 -11.973 -0.012 27 2HB GLU 4 1HB GLU 4 -9.631 -10.450 -0.870 28 1HG GLU 4 2HG GLU 4 -7.667 -9.935 0.511 29 2HG GLU 4 1HG GLU 4 -7.861 -11.475 1.349 30 H GLU 5 H GLU 5 -11.564 -11.421 -0.804 31 HA GLU 5 HA GLU 5 -13.554 -11.253 -1.877 32 1HB GLU 5 2HB GLU 5 -14.377 -11.007 1.015 33 2HB GLU 5 1HB GLU 5 -15.563 -11.060 -0.281 34 1HG GLU 5 2HG GLU 5 -13.497 -13.193 0.248 35 2HG GLU 5 1HG GLU 5 -15.177 -13.254 0.782 36 H GLN 6 H GLN 6 -15.864 -9.737 -1.343 37 HA GLN 6 HA GLN 6 -16.819 -7.696 -1.623 38 1HB GLN 6 2HB GLN 6 -14.158 -6.532 -0.746 39 2HB GLN 6 1HB GLN 6 -15.683 -5.666 -0.848 40 1HG GLN 6 2HG GLN 6 -15.089 -7.947 1.032 41 2HG GLN 6 1HG GLN 6 -15.069 -6.237 1.454 42 1HE2 GLN 6 1HE2 GLN 6 -17.016 -5.112 1.593 43 2HE2 GLN 6 2HE2 GLN 6 -18.536 -5.928 1.729 44 HA PRO 7 HA PRO 7 -15.392 -6.334 -5.690 45 1HB PRO 7 2HB PRO 7 -16.784 -4.017 -5.931 46 2HB PRO 7 1HB PRO 7 -17.572 -5.596 -6.048 47 1HG PRO 7 2HG PRO 7 -17.421 -3.724 -3.705 48 2HG PRO 7 1HG PRO 7 -18.820 -4.618 -4.332 49 1HD PRO 7 2HD PRO 7 -17.381 -5.468 -2.192 50 2HD PRO 7 1HD PRO 7 -18.174 -6.591 -3.316 51 H VAL 8 H VAL 8 -15.248 -3.399 -6.154 52 HA VAL 8 HA VAL 8 -12.641 -2.816 -5.355 53 HB VAL 8 HB VAL 8 -13.135 -0.454 -5.951 54 1HG1 VAL 8 1HG1 VAL 8 -13.679 -0.868 -8.307 55 2HG1 VAL 8 2HG1 VAL 8 -14.226 -2.495 -7.898 56 3HG1 VAL 8 3HG1 VAL 8 -12.528 -2.058 -7.695 57 1HG2 VAL 8 1HG2 VAL 8 -15.368 0.141 -6.785 58 2HG2 VAL 8 2HG2 VAL 8 -15.416 -0.316 -5.081 59 3HG2 VAL 8 3HG2 VAL 8 -15.968 -1.451 -6.314 60 H ALA 9 H ALA 9 -15.457 -2.802 -3.479 61 HA ALA 9 HA ALA 9 -14.790 -0.828 -1.544 62 1HB ALA 9 1HB ALA 9 -16.509 -1.884 -0.166 63 2HB ALA 9 2HB ALA 9 -16.550 -3.269 -1.258 64 3HB ALA 9 3HB ALA 9 -17.073 -1.683 -1.826 65 H SER 10 H SER 10 -13.298 -3.710 -2.304 66 HA SER 10 HA SER 10 -12.674 -4.786 0.226 67 1HB SER 10 2HB SER 10 -10.786 -5.910 -1.061 68 2HB SER 10 1HB SER 10 -12.414 -6.194 -1.677 69 HG SER 10 HG SER 10 -11.897 -5.221 -3.458 70 H TRP 11 H TRP 11 -11.354 -2.091 -1.546 71 HA TRP 11 HA TRP 11 -8.777 -1.961 -0.471 72 1HB TRP 11 2HB TRP 11 -10.511 0.452 -1.024 73 2HB TRP 11 1HB TRP 11 -8.757 0.374 -1.038 74 HD1 TRP 11 HD TRP 11 -8.825 -2.409 -2.945 75 HE1 TRP 11 1HE TRP 11 -9.224 -2.016 -5.464 76 HE3 TRP 11 3HE TRP 11 -10.856 2.256 -2.712 77 HZ2 TRP 11 2HZ TRP 11 -10.271 0.030 -7.124 78 HZ3 TRP 11 3HZ TRP 11 -11.534 3.378 -4.778 79 HH2 TRP 11 HH TRP 11 -11.246 2.285 -6.956 80 H ALA 12 H ALA 12 -11.862 -0.853 0.796 81 HA ALA 12 HA ALA 12 -10.882 0.759 2.890 82 1HB ALA 12 1HB ALA 12 -13.559 -0.618 2.654 83 2HB ALA 12 2HB ALA 12 -13.147 0.961 1.985 84 3HB ALA 12 3HB ALA 12 -13.172 0.723 3.733 85 H LEU 13 H LEU 13 -10.871 -2.605 2.578 86 HA LEU 13 HA LEU 13 -11.271 -3.361 5.287 87 1HB LEU 13 2HB LEU 13 -9.691 -4.768 3.123 88 2HB LEU 13 1HB LEU 13 -10.197 -5.483 4.644 89 HG LEU 13 HG LEU 13 -12.046 -4.536 2.441 90 1HD1 LEU 13 1HD1 LEU 13 -10.827 -6.557 1.827 91 2HD1 LEU 13 2HD1 LEU 13 -12.530 -6.912 2.114 92 3HD1 LEU 13 3HD1 LEU 13 -11.323 -7.332 3.332 93 1HD2 LEU 13 1HD2 LEU 13 -12.665 -5.924 5.056 94 2HD2 LEU 13 2HD2 LEU 13 -13.823 -5.599 3.765 95 3HD2 LEU 13 3HD2 LEU 13 -13.073 -4.260 4.632 96 H SER 14 H SER 14 -8.418 -2.518 3.372 97 HA SER 14 HA SER 14 -6.938 -1.721 5.685 98 1HB SER 14 2HB SER 14 -6.070 -4.242 4.233 99 2HB SER 14 1HB SER 14 -5.036 -3.334 5.333 100 HG SER 14 HG SER 14 -7.563 -4.396 6.077 101 H PHE 15 H PHE 15 -5.207 -0.424 5.156 102 HA PHE 15 HA PHE 15 -5.118 0.830 2.669 103 1HB PHE 15 2HB PHE 15 -4.215 1.834 4.730 104 2HB PHE 15 1HB PHE 15 -2.925 0.638 4.757 105 HD1 PHE 15 1HD PHE 15 -0.985 1.924 4.520 106 HD2 PHE 15 2HD PHE 15 -4.247 2.557 1.849 107 HE1 PHE 15 1HE PHE 15 0.417 3.417 3.161 108 HE2 PHE 15 2HE PHE 15 -2.845 4.051 0.491 109 HZ PHE 15 HZ PHE 15 -0.511 4.482 1.143 110 H GLU 16 H GLU 16 -3.178 -1.795 3.966 111 HA GLU 16 HA GLU 16 -1.390 -2.357 2.006 112 1HB GLU 16 2HB GLU 16 -1.554 -3.642 4.062 113 2HB GLU 16 1HB GLU 16 -3.124 -4.273 3.589 114 1HG GLU 16 2HG GLU 16 -2.043 -5.463 1.710 115 2HG GLU 16 1HG GLU 16 -0.477 -4.879 2.274 116 H ARG 17 H ARG 17 -4.850 -3.177 2.018 117 HA ARG 17 HA ARG 17 -4.827 -4.744 -0.351 118 1HB ARG 17 2HB ARG 17 -6.600 -4.822 1.432 119 2HB ARG 17 1HB ARG 17 -7.166 -3.255 0.879 120 1HG ARG 17 2HG ARG 17 -8.624 -4.697 -0.176 121 2HG ARG 17 1HG ARG 17 -7.412 -4.431 -1.429 122 1HD ARG 17 2HD ARG 17 -7.548 -6.804 0.442 123 2HD ARG 17 1HD ARG 17 -8.025 -6.797 -1.253 124 HE ARG 17 HE ARG 17 -5.662 -6.378 -1.799 125 1HH1 ARG 17 1HH1 ARG 17 -6.417 -7.664 1.388 126 2HH1 ARG 17 2HH1 ARG 17 -4.855 -8.400 1.589 127 1HH2 ARG 17 1HH2 ARG 17 -3.617 -7.354 -1.513 128 2HH2 ARG 17 2HH2 ARG 17 -3.275 -8.226 -0.048 129 H LEU 18 H LEU 18 -5.848 -1.413 0.320 130 HA LEU 18 HA LEU 18 -6.534 -0.625 -2.279 131 1HB LEU 18 2HB LEU 18 -7.163 0.712 -0.389 132 2HB LEU 18 1HB LEU 18 -5.493 0.914 0.103 133 HG LEU 18 HG LEU 18 -5.191 2.177 -2.134 134 1HD1 LEU 18 1HD1 LEU 18 -8.192 2.335 -1.884 135 2HD1 LEU 18 2HD1 LEU 18 -7.300 1.503 -3.157 136 3HD1 LEU 18 3HD1 LEU 18 -7.191 3.257 -3.008 137 1HD2 LEU 18 1HD2 LEU 18 -5.086 3.263 0.031 138 2HD2 LEU 18 2HD2 LEU 18 -6.848 3.362 0.094 139 3HD2 LEU 18 3HD2 LEU 18 -5.954 4.277 -1.121 140 H LEU 19 H LEU 19 -3.485 -0.448 -0.543 141 HA LEU 19 HA LEU 19 -2.143 1.137 -2.477 142 1HB LEU 19 2HB LEU 19 -1.652 1.111 -0.031 143 2HB LEU 19 1HB LEU 19 -0.992 -0.503 -0.213 144 HG LEU 19 HG LEU 19 0.772 0.343 -1.650 145 1HD1 LEU 19 1HD1 LEU 19 -0.394 2.167 -2.740 146 2HD1 LEU 19 2HD1 LEU 19 1.070 2.778 -1.970 147 3HD1 LEU 19 3HD1 LEU 19 -0.504 3.046 -1.213 148 1HD2 LEU 19 1HD2 LEU 19 1.179 0.297 0.746 149 2HD2 LEU 19 2HD2 LEU 19 0.524 1.927 0.903 150 3HD2 LEU 19 3HD2 LEU 19 2.013 1.656 -0.003 151 H GLN 20 H GLN 20 -2.518 -2.283 -1.955 152 HA GLN 20 HA GLN 20 -0.416 -2.925 -3.887 153 1HB GLN 20 2HB GLN 20 -0.740 -4.230 -1.732 154 2HB GLN 20 1HB GLN 20 -2.237 -4.846 -2.414 155 1HG GLN 20 2HG GLN 20 -0.441 -6.455 -2.678 156 2HG GLN 20 1HG GLN 20 -0.986 -5.874 -4.250 157 1HE2 GLN 20 1HE2 GLN 20 1.082 -4.031 -2.095 158 2HE2 GLN 20 2HE2 GLN 20 2.495 -4.103 -3.082 159 H ASP 21 H ASP 21 -3.356 -1.759 -4.211 160 HA ASP 21 HA ASP 21 -4.211 -3.591 -6.357 161 1HB ASP 21 2HB ASP 21 -5.826 -3.058 -4.464 162 2HB ASP 21 1HB ASP 21 -5.866 -1.405 -5.069 163 HA PRO 22 HA PRO 22 -2.648 -0.529 -9.195 164 1HB PRO 22 2HB PRO 22 -4.534 -1.787 -11.121 165 2HB PRO 22 1HB PRO 22 -2.785 -1.566 -11.240 166 1HG PRO 22 2HG PRO 22 -3.832 -3.977 -10.761 167 2HG PRO 22 1HG PRO 22 -2.326 -3.460 -9.976 168 1HD PRO 22 2HD PRO 22 -5.106 -3.574 -8.852 169 2HD PRO 22 1HD PRO 22 -3.562 -4.015 -8.089 170 H LEU 23 H LEU 23 -6.142 -1.224 -9.185 171 HA LEU 23 HA LEU 23 -6.845 1.276 -10.400 172 1HB LEU 23 2HB LEU 23 -8.141 -0.994 -10.345 173 2HB LEU 23 1HB LEU 23 -8.738 -0.436 -8.797 174 HG LEU 23 HG LEU 23 -9.121 1.075 -11.396 175 1HD1 LEU 23 1HD1 LEU 23 -10.265 -1.075 -11.504 176 2HD1 LEU 23 2HD1 LEU 23 -11.422 0.248 -11.362 177 3HD1 LEU 23 3HD1 LEU 23 -11.048 -0.751 -9.957 178 1HD2 LEU 23 1HD2 LEU 23 -10.836 2.304 -10.153 179 2HD2 LEU 23 2HD2 LEU 23 -9.246 2.498 -9.418 180 3HD2 LEU 23 3HD2 LEU 23 -10.425 1.406 -8.690 181 H GLY 24 H GLY 24 -6.797 -0.048 -7.134 182 1HA GLY 24 2HA GLY 24 -7.941 2.101 -5.753 183 2HA GLY 24 1HA GLY 24 -6.813 0.935 -5.074 184 H LEU 25 H LEU 25 -4.495 1.349 -6.215 185 HA LEU 25 HA LEU 25 -3.462 3.644 -5.011 186 1HB LEU 25 2HB LEU 25 -2.386 1.391 -6.097 187 2HB LEU 25 1HB LEU 25 -1.952 2.562 -7.326 188 HG LEU 25 HG LEU 25 -1.197 2.696 -4.395 189 1HD1 LEU 25 1HD1 LEU 25 0.017 0.973 -5.619 190 2HD1 LEU 25 2HD1 LEU 25 1.080 2.312 -5.185 191 3HD1 LEU 25 3HD1 LEU 25 0.489 2.159 -6.840 192 1HD2 LEU 25 1HD2 LEU 25 0.203 4.611 -5.027 193 2HD2 LEU 25 2HD2 LEU 25 -1.508 4.940 -5.289 194 3HD2 LEU 25 3HD2 LEU 25 -0.465 4.559 -6.660 195 H ALA 26 H ALA 26 -4.719 3.123 -8.244 196 HA ALA 26 HA ALA 26 -3.696 5.377 -9.546 197 1HB ALA 26 1HB ALA 26 -5.551 5.120 -11.117 198 2HB ALA 26 2HB ALA 26 -6.371 4.042 -9.986 199 3HB ALA 26 3HB ALA 26 -4.843 3.555 -10.717 200 H TYR 27 H TYR 27 -6.958 5.038 -8.097 201 HA TYR 27 HA TYR 27 -7.500 7.826 -8.220 202 1HB TYR 27 2HB TYR 27 -8.804 5.503 -6.826 203 2HB TYR 27 1HB TYR 27 -9.310 7.146 -6.449 204 HD1 TYR 27 1HD TYR 27 -9.236 4.545 -9.048 205 HD2 TYR 27 2HD TYR 27 -10.509 8.489 -8.065 206 HE1 TYR 27 1HE TYR 27 -10.707 4.560 -11.020 207 HE2 TYR 27 2HE TYR 27 -11.983 8.514 -10.028 208 HH TYR 27 HH TYR 27 -12.122 7.373 -12.235 209 H PHE 28 H PHE 28 -5.937 5.784 -5.870 210 HA PHE 28 HA PHE 28 -6.089 7.502 -3.648 211 1HB PHE 28 2HB PHE 28 -5.404 5.146 -3.451 212 2HB PHE 28 1HB PHE 28 -3.921 5.497 -4.333 213 HD1 PHE 28 1HD PHE 28 -1.997 5.976 -3.122 214 HD2 PHE 28 2HD PHE 28 -5.798 6.596 -1.300 215 HE1 PHE 28 1HE PHE 28 -0.888 6.552 -1.002 216 HE2 PHE 28 2HE PHE 28 -4.692 7.173 0.818 217 HZ PHE 28 HZ PHE 28 -2.234 7.150 0.970 218 H THR 29 H THR 29 -3.686 7.261 -6.270 219 HA THR 29 HA THR 29 -1.982 9.251 -5.136 220 HB THR 29 HB THR 29 -1.163 7.520 -6.755 221 HG1 THR 29 1HG THR 29 -0.692 10.283 -7.063 222 1HG2 THR 29 1HG2 THR 29 -1.407 7.968 -9.168 223 2HG2 THR 29 2HG2 THR 29 -2.549 9.263 -8.803 224 3HG2 THR 29 3HG2 THR 29 -2.952 7.592 -8.409 225 H GLU 30 H GLU 30 -4.719 9.302 -7.339 226 HA GLU 30 HA GLU 30 -4.531 11.943 -8.257 227 1HB GLU 30 2HB GLU 30 -6.948 10.229 -7.644 228 2HB GLU 30 1HB GLU 30 -7.073 11.823 -8.370 229 1HG GLU 30 2HG GLU 30 -5.670 11.027 -10.253 230 2HG GLU 30 1HG GLU 30 -5.692 9.414 -9.539 231 H PHE 31 H PHE 31 -5.914 10.617 -5.292 232 HA PHE 31 HA PHE 31 -6.700 13.199 -4.266 233 1HB PHE 31 2HB PHE 31 -7.846 10.964 -3.784 234 2HB PHE 31 1HB PHE 31 -6.490 10.598 -2.726 235 HD1 PHE 31 1HD PHE 31 -6.131 11.939 -0.663 236 HD2 PHE 31 2HD PHE 31 -9.569 12.473 -3.126 237 HE1 PHE 31 1HE PHE 31 -7.262 13.121 1.172 238 HE2 PHE 31 2HE PHE 31 -10.700 13.658 -1.290 239 HZ PHE 31 HZ PHE 31 -9.548 13.981 0.860 240 H LEU 32 H LEU 32 -3.991 11.037 -4.009 241 HA LEU 32 HA LEU 32 -2.762 12.056 -1.689 242 1HB LEU 32 2HB LEU 32 -2.184 9.893 -2.633 243 2HB LEU 32 1HB LEU 32 -1.614 10.644 -4.103 244 HG LEU 32 HG LEU 32 0.319 11.528 -2.993 245 1HD1 LEU 32 1HD1 LEU 32 -0.849 10.464 -0.424 246 2HD1 LEU 32 2HD1 LEU 32 -0.685 12.162 -0.873 247 3HD1 LEU 32 3HD1 LEU 32 0.753 11.178 -0.618 248 1HD2 LEU 32 1HD2 LEU 32 -0.153 8.671 -2.129 249 2HD2 LEU 32 2HD2 LEU 32 1.416 9.468 -2.250 250 3HD2 LEU 32 3HD2 LEU 32 0.455 9.195 -3.701 251 H LYS 33 H LYS 33 -2.861 13.188 -4.975 252 HA LYS 33 HA LYS 33 -0.588 14.920 -4.712 253 1HB LYS 33 2HB LYS 33 -1.410 13.923 -6.885 254 2HB LYS 33 1HB LYS 33 -2.740 15.072 -6.827 255 1HG LYS 33 2HG LYS 33 -1.320 16.916 -7.118 256 2HG LYS 33 1HG LYS 33 0.116 15.989 -6.683 257 1HD LYS 33 2HD LYS 33 -0.186 14.648 -8.763 258 2HD LYS 33 1HD LYS 33 -1.523 15.714 -9.209 259 1HE LYS 33 2HE LYS 33 -0.052 17.613 -9.322 260 2HE LYS 33 1HE LYS 33 1.290 16.674 -8.665 261 1HZ LYS 33 1HZ LYS 33 1.253 15.303 -10.650 262 2HZ LYS 33 2HZ LYS 33 1.478 16.929 -11.050 263 3HZ LYS 33 3HZ LYS 33 -0.032 16.206 -11.282 264 H LYS 34 H LYS 34 -3.635 15.054 -3.446 265 HA LYS 34 HA LYS 34 -3.914 17.946 -3.563 266 1HB LYS 34 2HB LYS 34 -5.546 15.932 -1.993 267 2HB LYS 34 1HB LYS 34 -5.960 17.618 -2.284 268 1HG LYS 34 2HG LYS 34 -6.023 17.095 -4.734 269 2HG LYS 34 1HG LYS 34 -5.823 15.391 -4.313 270 1HD LYS 34 2HD LYS 34 -7.894 15.516 -2.961 271 2HD LYS 34 1HD LYS 34 -8.102 17.194 -3.470 272 1HE LYS 34 2HE LYS 34 -8.080 16.339 -5.854 273 2HE LYS 34 1HE LYS 34 -8.195 14.713 -5.180 274 1HZ LYS 34 1HZ LYS 34 -10.251 15.450 -4.037 275 2HZ LYS 34 2HZ LYS 34 -10.369 15.473 -5.724 276 3HZ LYS 34 3HZ LYS 34 -10.153 16.920 -4.874 277 H GLU 35 H GLU 35 -2.945 15.438 -1.273 278 HA GLU 35 HA GLU 35 -2.569 17.375 0.854 279 1HB GLU 35 2HB GLU 35 -1.807 15.491 2.210 280 2HB GLU 35 1HB GLU 35 -3.346 15.134 1.444 281 1HG GLU 35 2HG GLU 35 -2.510 13.278 0.560 282 2HG GLU 35 1HG GLU 35 -1.258 14.203 -0.265 283 H PHE 36 H PHE 36 -0.558 15.474 -1.376 284 HA PHE 36 HA PHE 36 1.566 17.428 -1.000 285 1HB PHE 36 2HB PHE 36 2.126 15.617 0.593 286 2HB PHE 36 1HB PHE 36 2.067 14.446 -0.720 287 HD1 PHE 36 1HD PHE 36 4.036 13.900 -1.826 288 HD2 PHE 36 2HD PHE 36 3.793 17.606 0.264 289 HE1 PHE 36 1HE PHE 36 6.415 14.316 -2.287 290 HE2 PHE 36 2HE PHE 36 6.173 18.024 -0.197 291 HZ PHE 36 HZ PHE 36 7.486 16.379 -1.475 292 H SER 37 H SER 37 1.557 14.221 -2.542 293 HA SER 37 HA SER 37 1.136 15.240 -5.169 294 1HB SER 37 2HB SER 37 3.972 14.455 -4.445 295 2HB SER 37 1HB SER 37 3.383 14.781 -6.067 296 HG SER 37 HG SER 37 2.723 16.910 -4.982 297 H ALA 38 H ALA 38 3.143 12.658 -3.752 298 HA ALA 38 HA ALA 38 1.728 10.412 -4.385 299 1HB ALA 38 1HB ALA 38 3.362 11.271 -6.785 300 2HB ALA 38 2HB ALA 38 1.602 11.207 -6.707 301 3HB ALA 38 3HB ALA 38 2.542 9.720 -6.596 302 H GLU 39 H GLU 39 4.730 12.086 -4.279 303 HA GLU 39 HA GLU 39 6.644 10.167 -4.573 304 1HB GLU 39 2HB GLU 39 6.761 12.393 -2.530 305 2HB GLU 39 1HB GLU 39 8.128 11.579 -3.281 306 1HG GLU 39 2HG GLU 39 6.160 13.454 -4.570 307 2HG GLU 39 1HG GLU 39 7.891 13.689 -4.339 308 H ASN 40 H ASN 40 4.523 10.599 -1.841 309 HA ASN 40 HA ASN 40 5.875 9.154 0.117 310 1HB ASN 40 2HB ASN 40 2.876 9.135 -0.365 311 2HB ASN 40 1HB ASN 40 3.692 8.738 1.144 312 1HD2 ASN 40 1HD2 ASN 40 1.683 10.686 0.850 313 2HD2 ASN 40 2HD2 ASN 40 2.362 12.232 1.210 314 H VAL 41 H VAL 41 3.416 7.935 -2.177 315 HA VAL 41 HA VAL 41 3.949 5.202 -1.523 316 HB VAL 41 HB VAL 41 2.459 4.609 -3.367 317 1HG1 VAL 41 1HG1 VAL 41 1.406 6.904 -1.710 318 2HG1 VAL 41 2HG1 VAL 41 1.458 5.205 -1.237 319 3HG1 VAL 41 3HG1 VAL 41 0.419 5.717 -2.565 320 1HG2 VAL 41 1HG2 VAL 41 2.409 7.561 -4.019 321 2HG2 VAL 41 2HG2 VAL 41 1.384 6.327 -4.755 322 3HG2 VAL 41 3HG2 VAL 41 3.130 6.290 -5.006 323 H THR 42 H THR 42 5.133 7.461 -3.912 324 HA THR 42 HA THR 42 6.325 5.634 -5.688 325 HB THR 42 HB THR 42 7.351 8.407 -5.020 326 HG1 THR 42 1HG THR 42 5.924 9.011 -6.799 327 1HG2 THR 42 1HG2 THR 42 7.533 6.747 -7.549 328 2HG2 THR 42 2HG2 THR 42 8.861 7.091 -6.440 329 3HG2 THR 42 3HG2 THR 42 8.119 8.401 -7.360 330 H PHE 43 H PHE 43 7.481 7.104 -2.677 331 HA PHE 43 HA PHE 43 10.096 6.008 -2.753 332 1HB PHE 43 2HB PHE 43 9.548 7.862 -1.252 333 2HB PHE 43 1HB PHE 43 8.392 6.853 -0.388 334 HD1 PHE 43 1HD PHE 43 12.005 6.850 -1.354 335 HD2 PHE 43 2HD PHE 43 9.088 5.891 1.599 336 HE1 PHE 43 1HE PHE 43 13.792 6.147 0.181 337 HE2 PHE 43 2HE PHE 43 10.875 5.188 3.135 338 HZ PHE 43 HZ PHE 43 13.231 5.313 2.430 339 H TRP 44 H TRP 44 7.030 4.918 -1.375 340 HA TRP 44 HA TRP 44 7.931 2.520 -0.220 341 1HB TRP 44 2HB TRP 44 5.684 3.632 0.125 342 2HB TRP 44 1HB TRP 44 5.203 3.017 -1.452 343 HD1 TRP 44 HD TRP 44 6.155 1.751 2.069 344 HE1 TRP 44 1HE TRP 44 5.080 -0.560 2.416 345 HE3 TRP 44 3HE TRP 44 4.258 1.032 -2.624 346 HZ2 TRP 44 2HZ TRP 44 3.615 -2.443 0.898 347 HZ3 TRP 44 3HZ TRP 44 3.032 -1.050 -3.097 348 HH2 TRP 44 HH TRP 44 2.718 -2.751 -1.374 349 H LYS 45 H LYS 45 7.008 3.376 -3.495 350 HA LYS 45 HA LYS 45 7.033 0.764 -4.599 351 1HB LYS 45 2HB LYS 45 7.459 3.467 -5.893 352 2HB LYS 45 1HB LYS 45 7.360 1.962 -6.795 353 1HG LYS 45 2HG LYS 45 5.081 1.613 -5.968 354 2HG LYS 45 1HG LYS 45 5.180 3.130 -5.069 355 1HD LYS 45 2HD LYS 45 5.512 4.354 -7.174 356 2HD LYS 45 1HD LYS 45 5.418 2.837 -8.071 357 1HE LYS 45 2HE LYS 45 3.112 2.524 -7.244 358 2HE LYS 45 1HE LYS 45 3.216 4.078 -6.416 359 1HZ LYS 45 1HZ LYS 45 3.544 5.154 -8.551 360 2HZ LYS 45 2HZ LYS 45 2.099 4.274 -8.553 361 3HZ LYS 45 3HZ LYS 45 3.463 3.664 -9.347 362 H ALA 46 H ALA 46 9.532 3.144 -3.965 363 HA ALA 46 HA ALA 46 11.616 2.062 -5.477 364 1HB ALA 46 1HB ALA 46 11.756 4.229 -4.308 365 2HB ALA 46 2HB ALA 46 13.132 3.190 -3.940 366 3HB ALA 46 3HB ALA 46 11.832 3.381 -2.763 367 H CYS 47 H CYS 47 10.172 1.030 -2.480 368 HA CYS 47 HA CYS 47 12.184 -0.836 -1.725 369 1HB CYS 47 2HB CYS 47 10.529 0.077 -0.131 370 2HB CYS 47 1HB CYS 47 9.246 -0.770 -0.985 371 HG CYS 47 HG CYS 47 10.178 -3.318 -0.343 372 H GLU 48 H GLU 48 9.022 -1.197 -3.367 373 HA GLU 48 HA GLU 48 9.277 -4.008 -3.638 374 1HB GLU 48 2HB GLU 48 7.344 -3.861 -5.183 375 2HB GLU 48 1HB GLU 48 7.075 -3.055 -3.649 376 1HG GLU 48 2HG GLU 48 6.152 -1.562 -5.121 377 2HG GLU 48 1HG GLU 48 7.776 -0.912 -4.942 378 H ARG 49 H ARG 49 10.116 -1.315 -5.739 379 HA ARG 49 HA ARG 49 10.801 -2.813 -8.031 380 1HB ARG 49 2HB ARG 49 10.542 -0.305 -7.923 381 2HB ARG 49 1HB ARG 49 12.096 -0.235 -7.101 382 1HG ARG 49 2HG ARG 49 12.915 -1.580 -9.214 383 2HG ARG 49 1HG ARG 49 11.479 -0.871 -9.951 384 1HD ARG 49 2HD ARG 49 13.771 0.607 -8.660 385 2HD ARG 49 1HD ARG 49 13.406 0.525 -10.381 386 HE ARG 49 HE ARG 49 11.154 1.594 -9.237 387 1HH1 ARG 49 1HH1 ARG 49 14.567 2.406 -9.254 388 2HH1 ARG 49 2HH1 ARG 49 14.290 4.119 -9.168 389 1HH2 ARG 49 1HH2 ARG 49 10.785 3.859 -9.097 390 2HH2 ARG 49 2HH2 ARG 49 12.136 4.947 -9.075 391 H PHE 50 H PHE 50 12.552 -1.951 -5.116 392 HA PHE 50 HA PHE 50 15.131 -2.727 -6.027 393 1HB PHE 50 2HB PHE 50 14.637 -1.126 -4.140 394 2HB PHE 50 1HB PHE 50 14.176 -2.512 -3.162 395 HD1 PHE 50 1HD PHE 50 15.891 -4.167 -2.470 396 HD2 PHE 50 2HD PHE 50 16.929 -0.596 -4.552 397 HE1 PHE 50 1HE PHE 50 18.232 -4.440 -1.774 398 HE2 PHE 50 2HE PHE 50 19.269 -0.872 -3.855 399 HZ PHE 50 HZ PHE 50 19.926 -2.794 -2.463 400 H GLN 51 H GLN 51 12.646 -4.345 -4.059 401 HA GLN 51 HA GLN 51 14.295 -6.637 -3.567 402 1HB GLN 51 2HB GLN 51 12.291 -7.619 -2.532 403 2HB GLN 51 1HB GLN 51 12.638 -6.006 -1.929 404 1HG GLN 51 2HG GLN 51 10.890 -5.100 -3.405 405 2HG GLN 51 1HG GLN 51 10.522 -6.737 -3.947 406 1HE2 GLN 51 1HE2 GLN 51 11.379 -5.950 -0.636 407 2HE2 GLN 51 2HE2 GLN 51 9.824 -6.272 0.039 408 H GLN 52 H GLN 52 12.629 -5.662 -6.288 409 HA GLN 52 HA GLN 52 11.885 -8.190 -7.370 410 1HB GLN 52 2HB GLN 52 12.618 -5.561 -8.683 411 2HB GLN 52 1HB GLN 52 12.115 -6.975 -9.597 412 1HG GLN 52 2HG GLN 52 10.441 -5.658 -7.471 413 2HG GLN 52 1HG GLN 52 10.318 -5.303 -9.191 414 1HE2 GLN 52 1HE2 GLN 52 9.441 -6.842 -10.573 415 2HE2 GLN 52 2HE2 GLN 52 8.520 -8.184 -9.991 416 H ILE 53 H ILE 53 14.859 -6.615 -6.814 417 HA ILE 53 HA ILE 53 16.412 -7.988 -8.816 418 HB ILE 53 HB ILE 53 17.295 -6.405 -6.385 419 1HG1 ILE 53 2HG1 ILE 53 17.103 -5.524 -9.279 420 2HG1 ILE 53 1HG1 ILE 53 15.934 -5.109 -8.029 421 1HG2 ILE 53 1HG2 ILE 53 19.054 -7.895 -7.168 422 2HG2 ILE 53 2HG2 ILE 53 19.459 -6.218 -7.532 423 3HG2 ILE 53 3HG2 ILE 53 18.868 -7.281 -8.810 424 1HD1 ILE 53 1HD1 ILE 53 17.688 -3.921 -6.799 425 2HD1 ILE 53 2HD1 ILE 53 17.464 -3.280 -8.426 426 3HD1 ILE 53 3HD1 ILE 53 18.840 -4.324 -8.072 427 HA PRO 54 HA PRO 54 17.221 -11.780 -6.486 428 1HB PRO 54 2HB PRO 54 19.807 -12.113 -7.542 429 2HB PRO 54 1HB PRO 54 18.318 -12.788 -8.209 430 1HG PRO 54 2HG PRO 54 19.811 -10.330 -9.008 431 2HG PRO 54 1HG PRO 54 18.932 -11.492 -10.021 432 1HD PRO 54 2HD PRO 54 17.898 -9.089 -9.444 433 2HD PRO 54 1HD PRO 54 16.865 -10.533 -9.537 434 H ALA 55 H ALA 55 17.951 -11.930 -4.452 435 HA ALA 55 HA ALA 55 19.079 -9.704 -3.168 436 1HB ALA 55 1HB ALA 55 18.823 -12.531 -2.147 437 2HB ALA 55 2HB ALA 55 17.587 -11.276 -2.049 438 3HB ALA 55 3HB ALA 55 19.101 -11.093 -1.162 439 H SER 56 H SER 56 20.626 -12.214 -4.867 440 HA SER 56 HA SER 56 23.111 -11.983 -3.345 441 1HB SER 56 2HB SER 56 22.227 -14.227 -4.075 442 2HB SER 56 1HB SER 56 22.541 -13.749 -5.743 443 HG SER 56 HG SER 56 24.785 -13.278 -4.639 444 H ASP 57 H ASP 57 21.647 -10.487 -6.006 445 HA ASP 57 HA ASP 57 24.075 -10.134 -7.550 446 1HB ASP 57 2HB ASP 57 21.767 -10.384 -8.572 447 2HB ASP 57 1HB ASP 57 21.397 -8.779 -7.959 448 H THR 58 H THR 58 25.326 -9.113 -5.937 449 HA THR 58 HA THR 58 24.687 -6.897 -4.419 450 HB THR 58 HB THR 58 27.411 -7.521 -5.595 451 HG1 THR 58 1HG THR 58 26.392 -8.387 -3.085 452 1HG2 THR 58 1HG2 THR 58 26.631 -6.069 -3.053 453 2HG2 THR 58 2HG2 THR 58 27.277 -5.314 -4.511 454 3HG2 THR 58 3HG2 THR 58 28.278 -6.427 -3.577 455 H GLN 59 H GLN 59 26.029 -7.025 -7.697 456 HA GLN 59 HA GLN 59 26.615 -4.287 -7.938 457 1HB GLN 59 2HB GLN 59 27.559 -6.006 -9.422 458 2HB GLN 59 1HB GLN 59 25.968 -6.287 -10.117 459 1HG GLN 59 2HG GLN 59 25.929 -4.053 -11.039 460 2HG GLN 59 1HG GLN 59 27.459 -3.669 -10.253 461 1HE2 GLN 59 1HE2 GLN 59 28.629 -6.282 -10.837 462 2HE2 GLN 59 2HE2 GLN 59 29.000 -6.272 -12.526 463 H GLN 60 H GLN 60 23.746 -6.146 -8.975 464 HA GLN 60 HA GLN 60 22.436 -3.914 -10.137 465 1HB GLN 60 2HB GLN 60 21.940 -6.380 -10.561 466 2HB GLN 60 1HB GLN 60 21.075 -6.375 -9.033 467 1HG GLN 60 2HG GLN 60 19.443 -4.872 -9.824 468 2HG GLN 60 1HG GLN 60 20.404 -4.444 -11.237 469 1HE2 GLN 60 1HE2 GLN 60 20.115 -7.769 -10.235 470 2HE2 GLN 60 2HE2 GLN 60 19.086 -8.272 -11.529 471 H LEU 61 H LEU 61 22.224 -5.440 -6.945 472 HA LEU 61 HA LEU 61 20.165 -3.894 -5.853 473 1HB LEU 61 2HB LEU 61 22.576 -5.148 -4.526 474 2HB LEU 61 1HB LEU 61 21.244 -4.434 -3.640 475 HG LEU 61 HG LEU 61 20.957 -6.787 -5.521 476 1HD1 LEU 61 1HD1 LEU 61 22.352 -7.380 -3.604 477 2HD1 LEU 61 2HD1 LEU 61 20.775 -8.160 -3.507 478 3HD1 LEU 61 3HD1 LEU 61 21.125 -6.752 -2.504 479 1HD2 LEU 61 1HD2 LEU 61 18.765 -7.046 -4.480 480 2HD2 LEU 61 2HD2 LEU 61 18.913 -5.459 -5.231 481 3HD2 LEU 61 3HD2 LEU 61 19.055 -5.622 -3.481 482 H ALA 62 H ALA 62 23.674 -3.343 -5.877 483 HA ALA 62 HA ALA 62 23.693 -1.039 -4.266 484 1HB ALA 62 1HB ALA 62 25.695 -2.377 -4.718 485 2HB ALA 62 2HB ALA 62 25.953 -0.678 -5.114 486 3HB ALA 62 3HB ALA 62 25.669 -1.851 -6.401 487 H GLN 63 H GLN 63 23.276 -1.473 -7.733 488 HA GLN 63 HA GLN 63 23.609 1.215 -8.506 489 1HB GLN 63 2HB GLN 63 22.078 -1.059 -9.780 490 2HB GLN 63 1HB GLN 63 22.267 0.518 -10.541 491 1HG GLN 63 2HG GLN 63 24.654 0.258 -10.626 492 2HG GLN 63 1HG GLN 63 24.569 -1.235 -9.694 493 1HE2 GLN 63 1HE2 GLN 63 23.878 -3.108 -10.691 494 2HE2 GLN 63 2HE2 GLN 63 23.764 -3.269 -12.406 495 H GLU 64 H GLU 64 20.598 -0.617 -7.838 496 HA GLU 64 HA GLU 64 18.936 1.684 -8.052 497 1HB GLU 64 2HB GLU 64 18.492 -1.053 -6.871 498 2HB GLU 64 1HB GLU 64 17.271 0.208 -6.745 499 1HG GLU 64 2HG GLU 64 18.395 -0.958 -9.289 500 2HG GLU 64 1HG GLU 64 16.785 -1.227 -8.623 501 H ALA 65 H ALA 65 20.701 0.218 -5.394 502 HA ALA 65 HA ALA 65 19.577 1.649 -3.263 503 1HB ALA 65 1HB ALA 65 21.685 1.241 -2.081 504 2HB ALA 65 2HB ALA 65 22.451 0.768 -3.599 505 3HB ALA 65 3HB ALA 65 21.144 -0.208 -2.931 506 H ARG 66 H ARG 66 22.170 2.470 -5.521 507 HA ARG 66 HA ARG 66 22.801 5.006 -4.446 508 1HB ARG 66 2HB ARG 66 24.344 3.948 -5.967 509 2HB ARG 66 1HB ARG 66 23.124 3.864 -7.232 510 1HG ARG 66 2HG ARG 66 23.113 6.340 -7.339 511 2HG ARG 66 1HG ARG 66 24.411 6.370 -6.143 512 1HD ARG 66 2HD ARG 66 25.196 6.609 -8.496 513 2HD ARG 66 1HD ARG 66 25.903 5.238 -7.643 514 HE ARG 66 HE ARG 66 24.871 3.815 -9.105 515 1HH1 ARG 66 1HH1 ARG 66 23.419 6.993 -9.471 516 2HH1 ARG 66 2HH1 ARG 66 22.543 6.548 -10.902 517 1HH2 ARG 66 1HH2 ARG 66 23.714 3.259 -10.987 518 2HH2 ARG 66 2HH2 ARG 66 22.681 4.437 -11.740 519 H ASN 67 H ASN 67 20.565 3.989 -7.019 520 HA ASN 67 HA ASN 67 19.674 6.491 -7.853 521 1HB ASN 67 2HB ASN 67 19.014 4.449 -9.031 522 2HB ASN 67 1HB ASN 67 18.086 3.912 -7.634 523 1HD2 ASN 67 1HD2 ASN 67 16.133 4.982 -7.125 524 2HD2 ASN 67 2HD2 ASN 67 15.308 5.982 -8.272 525 H ILE 68 H ILE 68 18.065 4.349 -5.509 526 HA ILE 68 HA ILE 68 16.109 6.156 -4.673 527 HB ILE 68 HB ILE 68 17.350 3.940 -3.016 528 1HG1 ILE 68 2HG1 ILE 68 14.965 3.809 -4.891 529 2HG1 ILE 68 1HG1 ILE 68 16.568 3.197 -5.279 530 1HG2 ILE 68 1HG2 ILE 68 15.180 3.882 -1.868 531 2HG2 ILE 68 2HG2 ILE 68 14.621 5.238 -2.848 532 3HG2 ILE 68 3HG2 ILE 68 15.947 5.462 -1.708 533 1HD1 ILE 68 1HD1 ILE 68 15.042 1.422 -4.599 534 2HD1 ILE 68 2HD1 ILE 68 14.817 2.208 -3.036 535 3HD1 ILE 68 3HD1 ILE 68 16.400 1.570 -3.485 536 H TYR 69 H TYR 69 19.381 5.580 -3.487 537 HA TYR 69 HA TYR 69 19.406 7.159 -1.204 538 1HB TYR 69 2HB TYR 69 21.290 5.708 -1.910 539 2HB TYR 69 1HB TYR 69 21.635 6.809 -3.235 540 HD1 TYR 69 1HD TYR 69 22.755 8.937 -2.833 541 HD2 TYR 69 2HD TYR 69 21.848 6.324 0.407 542 HE1 TYR 69 1HE TYR 69 24.264 10.223 -1.383 543 HE2 TYR 69 2HE TYR 69 23.359 7.607 1.863 544 HH TYR 69 HH TYR 69 24.630 10.655 0.978 545 H GLN 70 H GLN 70 20.336 8.130 -4.512 546 HA GLN 70 HA GLN 70 20.553 10.897 -3.684 547 1HB GLN 70 2HB GLN 70 20.953 9.615 -6.397 548 2HB GLN 70 1HB GLN 70 21.343 11.282 -5.991 549 1HG GLN 70 2HG GLN 70 22.987 10.493 -4.351 550 2HG GLN 70 1HG GLN 70 22.604 8.827 -4.779 551 1HE2 GLN 70 1HE2 GLN 70 22.799 11.446 -7.110 552 2HE2 GLN 70 2HE2 GLN 70 24.235 10.885 -7.897 553 H GLU 71 H GLU 71 17.900 9.209 -4.200 554 HA GLU 71 HA GLU 71 16.635 11.226 -5.921 555 1HB GLU 71 2HB GLU 71 16.677 8.906 -6.820 556 2HB GLU 71 1HB GLU 71 15.727 8.383 -5.438 557 1HG GLU 71 2HG GLU 71 13.825 9.572 -6.163 558 2HG GLU 71 1HG GLU 71 14.756 10.501 -7.338 559 H PHE 72 H PHE 72 16.026 9.204 -3.049 560 HA PHE 72 HA PHE 72 13.964 11.168 -2.238 561 1HB PHE 72 2HB PHE 72 14.138 8.227 -1.527 562 2HB PHE 72 1HB PHE 72 12.913 9.343 -0.945 563 HD1 PHE 72 1HD PHE 72 11.290 10.339 -2.591 564 HD2 PHE 72 2HD PHE 72 13.908 7.129 -3.597 565 HE1 PHE 72 1HE PHE 72 9.854 9.766 -4.503 566 HE2 PHE 72 2HE PHE 72 12.478 6.562 -5.514 567 HZ PHE 72 HZ PHE 72 10.450 7.881 -5.969 568 H LEU 73 H LEU 73 17.051 10.057 -1.481 569 HA LEU 73 HA LEU 73 16.563 10.279 1.424 570 1HB LEU 73 2HB LEU 73 18.515 8.488 -0.026 571 2HB LEU 73 1HB LEU 73 18.303 8.569 1.717 572 HG LEU 73 HG LEU 73 16.042 7.815 -0.139 573 1HD1 LEU 73 1HD1 LEU 73 17.964 5.941 1.229 574 2HD1 LEU 73 2HD1 LEU 73 17.848 6.224 -0.505 575 3HD1 LEU 73 3HD1 LEU 73 16.506 5.476 0.357 576 1HD2 LEU 73 1HD2 LEU 73 15.401 8.543 2.097 577 2HD2 LEU 73 2HD2 LEU 73 16.498 7.361 2.813 578 3HD2 LEU 73 3HD2 LEU 73 15.097 6.819 1.887 579 H SER 74 H SER 74 18.720 11.213 -1.202 580 HA SER 74 HA SER 74 20.906 11.909 0.509 581 1HB SER 74 2HB SER 74 21.850 12.978 -1.544 582 2HB SER 74 1HB SER 74 21.359 11.302 -1.787 583 HG SER 74 HG SER 74 20.035 13.661 -2.610 584 H SER 75 H SER 75 19.888 13.227 2.065 585 HA SER 75 HA SER 75 19.209 15.152 3.052 586 1HB SER 75 2HB SER 75 20.677 17.112 2.479 587 2HB SER 75 1HB SER 75 21.549 15.621 2.826 588 HG SER 75 HG SER 75 22.465 16.353 0.997 589 H GLN 76 H GLN 76 19.851 16.767 -0.013 590 HA GLN 76 HA GLN 76 17.052 17.710 -0.056 591 1HB GLN 76 2HB GLN 76 19.535 19.044 -1.181 592 2HB GLN 76 1HB GLN 76 17.905 19.705 -1.218 593 1HG GLN 76 2HG GLN 76 17.888 19.845 1.218 594 2HG GLN 76 1HG GLN 76 19.502 19.141 1.281 595 1HE2 GLN 76 1HE2 GLN 76 18.493 21.474 -1.131 596 2HE2 GLN 76 2HE2 GLN 76 19.488 22.768 -0.567 597 H ALA 77 H ALA 77 17.403 15.311 -1.086 598 HA ALA 77 HA ALA 77 18.194 15.120 -3.787 599 1HB ALA 77 1HB ALA 77 17.105 12.949 -3.747 600 2HB ALA 77 2HB ALA 77 16.262 13.378 -2.257 601 3HB ALA 77 3HB ALA 77 18.017 13.203 -2.258 602 H LEU 78 H LEU 78 16.185 13.885 -5.154 603 HA LEU 78 HA LEU 78 14.775 16.014 -6.298 604 1HB LEU 78 2HB LEU 78 14.346 13.028 -6.473 605 2HB LEU 78 1HB LEU 78 13.391 14.173 -7.393 606 HG LEU 78 HG LEU 78 15.112 13.264 -8.810 607 1HD1 LEU 78 1HD1 LEU 78 16.236 15.303 -9.546 608 2HD1 LEU 78 2HD1 LEU 78 15.792 16.101 -8.036 609 3HD1 LEU 78 3HD1 LEU 78 14.538 15.599 -9.173 610 1HD2 LEU 78 1HD2 LEU 78 16.710 12.568 -7.109 611 2HD2 LEU 78 2HD2 LEU 78 17.113 14.252 -6.775 612 3HD2 LEU 78 3HD2 LEU 78 17.497 13.547 -8.346 613 H SER 79 H SER 79 13.593 13.407 -4.173 614 HA SER 79 HA SER 79 11.634 15.281 -3.089 615 1HB SER 79 2HB SER 79 9.909 13.356 -3.183 616 2HB SER 79 1HB SER 79 10.231 14.250 -4.667 617 HG SER 79 HG SER 79 10.247 12.037 -5.077 618 HA PRO 80 HA PRO 80 13.758 12.825 0.175 619 1HB PRO 80 2HB PRO 80 14.373 14.909 1.785 620 2HB PRO 80 1HB PRO 80 15.370 14.462 0.396 621 1HG PRO 80 2HG PRO 80 13.336 16.644 0.645 622 2HG PRO 80 1HG PRO 80 14.922 16.675 -0.148 623 1HD PRO 80 2HD PRO 80 12.552 16.360 -1.496 624 2HD PRO 80 1HD PRO 80 14.111 15.741 -2.081 625 H VAL 81 H VAL 81 11.853 11.840 0.792 626 HA VAL 81 HA VAL 81 9.626 13.099 1.961 627 HB VAL 81 HB VAL 81 8.984 10.830 2.749 628 1HG1 VAL 81 1HG1 VAL 81 8.796 9.801 0.524 629 2HG1 VAL 81 2HG1 VAL 81 9.990 10.937 -0.103 630 3HG1 VAL 81 3HG1 VAL 81 8.430 11.525 0.475 631 1HG2 VAL 81 1HG2 VAL 81 11.191 9.973 3.333 632 2HG2 VAL 81 2HG2 VAL 81 11.680 10.015 1.638 633 3HG2 VAL 81 3HG2 VAL 81 10.412 8.906 2.164 634 H ASN 82 H ASN 82 8.850 12.694 4.226 635 HA ASN 82 HA ASN 82 10.790 13.829 6.001 636 1HB ASN 82 2HB ASN 82 8.436 14.544 6.071 637 2HB ASN 82 1HB ASN 82 7.955 12.929 6.577 638 1HD2 ASN 82 1HD2 ASN 82 10.828 14.653 7.699 639 2HD2 ASN 82 2HD2 ASN 82 10.310 14.807 9.340 640 H ILE 83 H ILE 83 12.293 12.042 5.932 641 HA ILE 83 HA ILE 83 11.841 10.326 8.264 642 HB ILE 83 HB ILE 83 13.004 8.418 7.183 643 1HG1 ILE 83 2HG1 ILE 83 12.834 10.168 4.708 644 2HG1 ILE 83 1HG1 ILE 83 14.300 9.585 5.488 645 1HG2 ILE 83 1HG2 ILE 83 10.556 9.314 5.679 646 2HG2 ILE 83 2HG2 ILE 83 10.572 8.483 7.234 647 3HG2 ILE 83 3HG2 ILE 83 11.168 7.663 5.790 648 1HD1 ILE 83 1HD1 ILE 83 13.705 7.295 4.865 649 2HD1 ILE 83 2HD1 ILE 83 13.847 8.354 3.462 650 3HD1 ILE 83 3HD1 ILE 83 12.254 7.899 4.065 651 H ASP 84 H ASP 84 14.089 9.447 9.011 652 HA ASP 84 HA ASP 84 15.336 11.844 9.795 653 1HB ASP 84 2HB ASP 84 16.740 10.494 11.211 654 2HB ASP 84 1HB ASP 84 15.120 9.807 11.219 655 H ARG 85 H ARG 85 16.849 9.108 8.019 656 HA ARG 85 HA ARG 85 18.846 8.924 6.960 657 1HB ARG 85 2HB ARG 85 18.249 11.777 6.148 658 2HB ARG 85 1HB ARG 85 19.522 10.791 5.449 659 1HG ARG 85 2HG ARG 85 18.038 10.159 3.911 660 2HG ARG 85 1HG ARG 85 17.249 9.219 5.178 661 1HD ARG 85 2HD ARG 85 15.561 10.547 4.177 662 2HD ARG 85 1HD ARG 85 15.921 11.292 5.734 663 HE ARG 85 HE ARG 85 17.373 12.390 3.480 664 1HH1 ARG 85 1HH1 ARG 85 14.577 12.668 5.573 665 2HH1 ARG 85 2HH1 ARG 85 14.187 14.278 5.051 666 1HH2 ARG 85 1HH2 ARG 85 16.859 14.553 2.822 667 2HH2 ARG 85 2HH2 ARG 85 15.478 15.339 3.514 668 H GLN 86 H GLN 86 18.748 9.955 9.747 669 HA GLN 86 HA GLN 86 21.308 11.431 9.850 670 1HB GLN 86 2HB GLN 86 19.187 11.287 12.011 671 2HB GLN 86 1HB GLN 86 20.620 12.308 12.003 672 1HG GLN 86 2HG GLN 86 18.245 12.528 10.162 673 2HG GLN 86 1HG GLN 86 18.661 13.616 11.484 674 1HE2 GLN 86 1HE2 GLN 86 18.318 14.089 8.587 675 2HE2 GLN 86 2HE2 GLN 86 19.784 14.848 8.073 676 H ALA 87 H ALA 87 19.363 9.062 11.654 677 HA ALA 87 HA ALA 87 21.776 7.814 12.758 678 1HB ALA 87 1HB ALA 87 20.192 6.461 14.070 679 2HB ALA 87 2HB ALA 87 18.842 7.213 13.217 680 3HB ALA 87 3HB ALA 87 19.875 8.185 14.264 681 H TRP 88 H TRP 88 20.842 7.832 9.926 682 HA TRP 88 HA TRP 88 19.717 5.343 9.205 683 1HB TRP 88 2HB TRP 88 19.693 7.650 8.034 684 2HB TRP 88 1HB TRP 88 21.255 7.180 7.381 685 HD1 TRP 88 HD TRP 88 18.115 4.938 7.695 686 HE1 TRP 88 1HE TRP 88 17.456 4.165 5.332 687 HE3 TRP 88 3HE TRP 88 21.579 7.550 5.011 688 HZ2 TRP 88 2HZ TRP 88 18.315 4.607 2.682 689 HZ3 TRP 88 3HZ TRP 88 21.592 7.325 2.565 690 HH2 TRP 88 HH TRP 88 19.993 5.882 1.425 691 H LEU 89 H LEU 89 20.921 4.135 7.286 692 HA LEU 89 HA LEU 89 23.675 3.532 8.120 693 1HB LEU 89 2HB LEU 89 23.144 1.100 7.560 694 2HB LEU 89 1HB LEU 89 22.518 1.732 9.063 695 HG LEU 89 HG LEU 89 20.942 0.216 7.905 696 1HD1 LEU 89 1HD1 LEU 89 20.072 1.893 9.440 697 2HD1 LEU 89 2HD1 LEU 89 18.944 1.579 8.123 698 3HD1 LEU 89 3HD1 LEU 89 19.923 3.046 8.112 699 1HD2 LEU 89 1HD2 LEU 89 20.794 2.351 5.775 700 2HD2 LEU 89 2HD2 LEU 89 19.769 0.919 5.888 701 3HD2 LEU 89 3HD2 LEU 89 21.498 0.743 5.587 702 H GLY 90 H GLY 90 22.722 5.195 5.952 703 1HA GLY 90 2HA GLY 90 22.596 3.895 3.474 704 2HA GLY 90 1HA GLY 90 23.068 5.567 3.718 705 H GLU 91 H GLU 91 25.380 4.942 5.340 706 HA GLU 91 HA GLU 91 27.290 4.946 3.316 707 1HB GLU 91 2HB GLU 91 27.706 4.273 6.234 708 2HB GLU 91 1HB GLU 91 28.959 4.763 5.098 709 1HG GLU 91 2HG GLU 91 27.724 6.920 4.796 710 2HG GLU 91 1HG GLU 91 26.656 6.422 6.109 711 H GLU 92 H GLU 92 25.806 2.239 4.924 712 HA GLU 92 HA GLU 92 27.865 0.416 3.923 713 1HB GLU 92 2HB GLU 92 26.746 -1.340 5.174 714 2HB GLU 92 1HB GLU 92 27.037 0.045 6.215 715 1HG GLU 92 2HG GLU 92 24.749 0.681 6.160 716 2HG GLU 92 1HG GLU 92 24.394 -0.461 4.866 717 H VAL 93 H VAL 93 24.631 1.485 3.155 718 HA VAL 93 HA VAL 93 23.838 -0.878 1.783 719 HB VAL 93 HB VAL 93 22.255 0.898 2.695 720 1HG1 VAL 93 1HG1 VAL 93 22.916 2.275 0.090 721 2HG1 VAL 93 2HG1 VAL 93 23.282 2.873 1.708 722 3HG1 VAL 93 3HG1 VAL 93 21.606 2.715 1.187 723 1HG2 VAL 93 1HG2 VAL 93 20.568 0.468 0.963 724 2HG2 VAL 93 2HG2 VAL 93 21.497 -0.983 1.335 725 3HG2 VAL 93 3HG2 VAL 93 21.836 -0.074 -0.137 726 H LEU 94 H LEU 94 25.671 1.924 0.838 727 HA LEU 94 HA LEU 94 25.511 1.455 -1.990 728 1HB LEU 94 2HB LEU 94 27.369 3.092 -0.272 729 2HB LEU 94 1HB LEU 94 27.647 2.909 -1.990 730 HG LEU 94 HG LEU 94 26.560 5.012 -1.607 731 1HD1 LEU 94 1HD1 LEU 94 25.897 3.804 -3.622 732 2HD1 LEU 94 2HD1 LEU 94 24.580 4.800 -3.003 733 3HD1 LEU 94 3HD1 LEU 94 24.564 3.055 -2.740 734 1HD2 LEU 94 1HD2 LEU 94 24.363 3.489 -0.214 735 2HD2 LEU 94 2HD2 LEU 94 24.369 5.218 -0.564 736 3HD2 LEU 94 3HD2 LEU 94 25.547 4.543 0.559 737 H ALA 95 H ALA 95 27.406 0.211 0.624 738 HA ALA 95 HA ALA 95 29.408 -0.970 -1.145 739 1HB ALA 95 1HB ALA 95 30.158 0.069 0.947 740 2HB ALA 95 2HB ALA 95 30.538 -1.654 0.912 741 3HB ALA 95 3HB ALA 95 29.173 -1.068 1.868 742 H GLU 96 H GLU 96 27.483 -2.214 1.579 743 HA GLU 96 HA GLU 96 27.114 -4.746 0.115 744 1HB GLU 96 2HB GLU 96 27.121 -4.236 3.103 745 2HB GLU 96 1HB GLU 96 26.835 -5.795 2.339 746 1HG GLU 96 2HG GLU 96 29.385 -4.194 2.161 747 2HG GLU 96 1HG GLU 96 29.113 -5.587 3.208 748 HA PRO 97 HA PRO 97 22.872 -3.043 0.461 749 1HB PRO 97 2HB PRO 97 22.024 -3.754 -1.987 750 2HB PRO 97 1HB PRO 97 23.060 -2.343 -1.742 751 1HG PRO 97 2HG PRO 97 23.793 -5.085 -2.693 752 2HG PRO 97 1HG PRO 97 24.353 -3.509 -3.280 753 1HD PRO 97 2HD PRO 97 25.769 -5.117 -1.539 754 2HD PRO 97 1HD PRO 97 25.976 -3.359 -1.674 755 H ARG 98 H ARG 98 20.770 -4.121 0.336 756 HA ARG 98 HA ARG 98 20.630 -6.990 0.111 757 1HB ARG 98 2HB ARG 98 19.964 -7.442 2.403 758 2HB ARG 98 1HB ARG 98 21.546 -6.674 2.420 759 1HG ARG 98 2HG ARG 98 20.490 -4.529 2.995 760 2HG ARG 98 1HG ARG 98 18.911 -5.316 3.000 761 1HD ARG 98 2HD ARG 98 19.764 -6.843 4.790 762 2HD ARG 98 1HD ARG 98 21.234 -5.871 4.849 763 HE ARG 98 HE ARG 98 18.542 -5.026 5.686 764 1HH1 ARG 98 1HH1 ARG 98 21.977 -4.349 5.454 765 2HH1 ARG 98 2HH1 ARG 98 21.936 -3.079 6.634 766 1HH2 ARG 98 1HH2 ARG 98 18.477 -3.346 7.221 767 2HH2 ARG 98 2HH2 ARG 98 19.938 -2.520 7.658 768 HA PRO 99 HA PRO 99 16.464 -5.787 -0.898 769 1HB PRO 99 2HB PRO 99 15.104 -8.086 -0.569 770 2HB PRO 99 1HB PRO 99 16.334 -7.913 -1.827 771 1HG PRO 99 2HG PRO 99 16.576 -9.182 0.884 772 2HG PRO 99 1HG PRO 99 17.123 -9.797 -0.687 773 1HD PRO 99 2HD PRO 99 18.792 -8.552 1.066 774 2HD PRO 99 1HD PRO 99 19.010 -8.467 -0.695 775 H ASP 100 H ASP 100 17.028 -4.768 1.540 776 HA ASP 100 HA ASP 100 14.568 -4.932 3.029 777 1HB ASP 100 2HB ASP 100 15.651 -6.826 4.050 778 2HB ASP 100 1HB ASP 100 17.177 -5.959 4.184 779 H MET 101 H MET 101 17.934 -4.081 3.579 780 HA MET 101 HA MET 101 18.903 -2.180 4.401 781 1HB MET 101 2HB MET 101 19.260 -0.638 2.577 782 2HB MET 101 1HB MET 101 19.260 -2.291 1.994 783 1HG MET 101 2HG MET 101 16.971 -0.350 1.725 784 2HG MET 101 1HG MET 101 18.137 -0.737 0.466 785 1HE MET 101 1HE MET 101 15.774 -1.106 -0.960 786 2HE MET 101 2HE MET 101 14.805 -0.933 0.505 787 3HE MET 101 3HE MET 101 14.603 -2.351 -0.526 788 H PHE 102 H PHE 102 15.911 -0.788 2.927 789 HA PHE 102 HA PHE 102 16.075 1.318 4.989 790 1HB PHE 102 2HB PHE 102 14.527 1.467 2.392 791 2HB PHE 102 1HB PHE 102 14.971 2.795 3.458 792 HD1 PHE 102 1HD PHE 102 17.894 1.910 3.863 793 HD2 PHE 102 2HD PHE 102 15.456 2.338 0.392 794 HE1 PHE 102 1HE PHE 102 19.903 2.296 2.498 795 HE2 PHE 102 2HE PHE 102 17.467 2.726 -0.972 796 HZ PHE 102 HZ PHE 102 19.692 2.699 0.079 797 H ARG 103 H ARG 103 14.785 -1.371 5.191 798 HA ARG 103 HA ARG 103 12.095 -1.520 4.841 799 1HB ARG 103 2HB ARG 103 13.602 -3.298 5.776 800 2HB ARG 103 1HB ARG 103 13.522 -2.484 7.331 801 1HG ARG 103 2HG ARG 103 11.982 -4.296 7.389 802 2HG ARG 103 1HG ARG 103 11.038 -2.809 7.286 803 1HD ARG 103 2HD ARG 103 10.758 -3.161 4.871 804 2HD ARG 103 1HD ARG 103 11.706 -4.645 4.978 805 HE ARG 103 HE ARG 103 9.271 -4.424 6.596 806 1HH1 ARG 103 1HH1 ARG 103 10.925 -5.851 3.847 807 2HH1 ARG 103 2HH1 ARG 103 9.758 -7.118 3.648 808 1HH2 ARG 103 1HH2 ARG 103 7.724 -6.057 6.310 809 2HH2 ARG 103 2HH2 ARG 103 7.913 -7.220 5.031 810 H ALA 104 H ALA 104 13.689 -0.137 7.715 811 HA ALA 104 HA ALA 104 11.355 0.464 9.149 812 1HB ALA 104 1HB ALA 104 12.765 1.940 10.497 813 2HB ALA 104 2HB ALA 104 14.038 1.844 9.278 814 3HB ALA 104 3HB ALA 104 13.570 0.403 10.180 815 H GLN 105 H GLN 105 13.205 2.392 6.827 816 HA GLN 105 HA GLN 105 11.691 4.776 7.261 817 1HB GLN 105 2HB GLN 105 13.603 4.001 5.058 818 2HB GLN 105 1HB GLN 105 12.863 5.592 5.203 819 1HG GLN 105 2HG GLN 105 13.885 5.780 7.478 820 2HG GLN 105 1HG GLN 105 14.747 4.277 7.153 821 1HE2 GLN 105 1HE2 GLN 105 15.772 6.971 7.678 822 2HE2 GLN 105 2HE2 GLN 105 16.763 7.358 6.312 823 H GLN 106 H GLN 106 11.539 2.116 4.973 824 HA GLN 106 HA GLN 106 9.650 3.183 3.185 825 1HB GLN 106 2HB GLN 106 10.135 0.309 4.025 826 2HB GLN 106 1HB GLN 106 9.126 0.787 2.665 827 1HG GLN 106 2HG GLN 106 12.078 1.340 2.941 828 2HG GLN 106 1HG GLN 106 11.351 0.076 1.949 829 1HE2 GLN 106 1HE2 GLN 106 13.044 2.324 1.156 830 2HE2 GLN 106 2HE2 GLN 106 12.131 3.217 -0.005 831 H LEU 107 H LEU 107 9.243 1.206 6.105 832 HA LEU 107 HA LEU 107 6.393 1.336 6.050 833 1HB LEU 107 2HB LEU 107 8.416 0.402 8.056 834 2HB LEU 107 1HB LEU 107 6.745 0.599 8.545 835 HG LEU 107 HG LEU 107 7.190 -1.721 7.961 836 1HD1 LEU 107 1HD1 LEU 107 5.453 -0.372 5.898 837 2HD1 LEU 107 2HD1 LEU 107 4.960 -0.841 7.526 838 3HD1 LEU 107 3HD1 LEU 107 5.399 -2.077 6.347 839 1HD2 LEU 107 1HD2 LEU 107 7.760 -2.385 5.675 840 2HD2 LEU 107 2HD2 LEU 107 9.030 -1.398 6.397 841 3HD2 LEU 107 3HD2 LEU 107 7.924 -0.688 5.220 842 H GLN 108 H GLN 108 8.844 3.508 7.104 843 HA GLN 108 HA GLN 108 7.376 4.913 9.061 844 1HB GLN 108 2HB GLN 108 9.830 5.204 8.672 845 2HB GLN 108 1HB GLN 108 9.479 6.093 7.194 846 1HG GLN 108 2HG GLN 108 9.954 7.620 9.006 847 2HG GLN 108 1HG GLN 108 8.271 7.779 8.504 848 1HE2 GLN 108 1HE2 GLN 108 7.655 8.671 10.470 849 2HE2 GLN 108 2HE2 GLN 108 7.546 7.737 11.918 850 H ILE 109 H ILE 109 7.726 5.428 5.549 851 HA ILE 109 HA ILE 109 5.796 7.510 5.399 852 HB ILE 109 HB ILE 109 6.930 5.641 3.315 853 1HG1 ILE 109 2HG1 ILE 109 7.847 7.775 2.390 854 2HG1 ILE 109 1HG1 ILE 109 7.142 8.636 3.753 855 1HG2 ILE 109 1HG2 ILE 109 4.636 6.031 2.643 856 2HG2 ILE 109 2HG2 ILE 109 5.727 6.931 1.591 857 3HG2 ILE 109 3HG2 ILE 109 4.836 7.770 2.860 858 1HD1 ILE 109 1HD1 ILE 109 9.261 6.509 3.920 859 2HD1 ILE 109 2HD1 ILE 109 8.571 7.398 5.279 860 3HD1 ILE 109 3HD1 ILE 109 9.517 8.248 4.056 861 H PHE 110 H PHE 110 5.603 4.015 4.755 862 HA PHE 110 HA PHE 110 3.002 3.824 3.883 863 1HB PHE 110 2HB PHE 110 4.554 1.920 3.872 864 2HB PHE 110 1HB PHE 110 4.497 1.837 5.627 865 HD1 PHE 110 1HD PHE 110 2.516 0.947 6.771 866 HD2 PHE 110 2HD PHE 110 2.725 1.110 2.519 867 HE1 PHE 110 1HE PHE 110 0.590 -0.578 6.620 868 HE2 PHE 110 2HE PHE 110 0.804 -0.416 2.367 869 HZ PHE 110 HZ PHE 110 -0.273 -1.257 4.410 870 H ASN 111 H ASN 111 4.157 3.732 7.240 871 HA ASN 111 HA ASN 111 1.579 3.285 8.352 872 1HB ASN 111 2HB ASN 111 4.220 4.124 9.548 873 2HB ASN 111 1HB ASN 111 2.763 3.973 10.527 874 1HD2 ASN 111 1HD2 ASN 111 5.347 2.437 10.427 875 2HD2 ASN 111 2HD2 ASN 111 4.862 0.785 10.292 876 H LEU 112 H LEU 112 3.515 6.211 7.808 877 HA LEU 112 HA LEU 112 1.889 7.981 9.271 878 1HB LEU 112 2HB LEU 112 3.685 8.461 6.892 879 2HB LEU 112 1HB LEU 112 2.863 9.756 7.743 880 HG LEU 112 HG LEU 112 4.902 7.880 8.959 881 1HD1 LEU 112 1HD1 LEU 112 6.352 9.848 9.046 882 2HD1 LEU 112 2HD1 LEU 112 5.127 10.791 8.196 883 3HD1 LEU 112 3HD1 LEU 112 5.917 9.436 7.387 884 1HD2 LEU 112 1HD2 LEU 112 3.496 10.277 10.145 885 2HD2 LEU 112 2HD2 LEU 112 4.803 9.369 10.906 886 3HD2 LEU 112 3HD2 LEU 112 3.250 8.591 10.604 887 H MET 113 H MET 113 1.810 7.132 5.808 888 HA MET 113 HA MET 113 -0.511 8.782 5.350 889 1HB MET 113 2HB MET 113 -0.423 7.920 3.049 890 2HB MET 113 1HB MET 113 1.138 8.527 3.576 891 1HG MET 113 2HG MET 113 1.898 6.234 3.964 892 2HG MET 113 1HG MET 113 0.331 5.628 3.428 893 1HE MET 113 1HE MET 113 3.217 4.747 2.183 894 2HE MET 113 2HE MET 113 2.785 4.677 0.474 895 3HE MET 113 3HE MET 113 1.672 4.053 1.691 896 H LYS 114 H LYS 114 -0.058 5.776 6.692 897 HA LYS 114 HA LYS 114 -2.265 4.326 5.651 898 1HB LYS 114 2HB LYS 114 -0.387 3.249 6.814 899 2HB LYS 114 1HB LYS 114 -0.833 4.059 8.307 900 1HG LYS 114 2HG LYS 114 -2.942 2.823 8.361 901 2HG LYS 114 1HG LYS 114 -2.513 2.023 6.846 902 1HD LYS 114 2HD LYS 114 -0.535 1.042 7.935 903 2HD LYS 114 1HD LYS 114 -0.981 1.832 9.447 904 1HE LYS 114 2HE LYS 114 -2.668 -0.203 7.988 905 2HE LYS 114 1HE LYS 114 -1.632 -0.553 9.369 906 1HZ LYS 114 1HZ LYS 114 -2.964 1.018 10.679 907 2HZ LYS 114 2HZ LYS 114 -3.886 -0.270 10.093 908 3HZ LYS 114 3HZ LYS 114 -3.996 1.251 9.358 909 H PHE 115 H PHE 115 -1.867 6.355 8.563 910 HA PHE 115 HA PHE 115 -4.680 5.908 9.239 911 1HB PHE 115 2HB PHE 115 -4.133 6.972 11.404 912 2HB PHE 115 1HB PHE 115 -3.111 5.586 11.057 913 HD1 PHE 115 1HD PHE 115 -3.185 9.303 11.060 914 HD2 PHE 115 2HD PHE 115 -0.768 5.792 11.031 915 HE1 PHE 115 1HE PHE 115 -1.188 10.675 11.485 916 HE2 PHE 115 2HE PHE 115 1.228 7.163 11.452 917 HZ PHE 115 HZ PHE 115 1.023 9.605 11.680 918 H ASP 116 H ASP 116 -3.459 7.874 7.112 919 HA ASP 116 HA ASP 116 -5.269 10.055 7.837 920 1HB ASP 116 2HB ASP 116 -2.913 10.700 8.526 921 2HB ASP 116 1HB ASP 116 -2.486 10.674 6.816 922 H SER 117 H SER 117 -2.849 9.641 5.250 923 HA SER 117 HA SER 117 -4.373 10.650 3.193 924 1HB SER 117 2HB SER 117 -2.443 8.362 2.789 925 2HB SER 117 1HB SER 117 -2.757 9.736 1.725 926 HG SER 117 HG SER 117 -1.504 10.985 2.931 927 H TYR 118 H TYR 118 -4.004 7.242 4.118 928 HA TYR 118 HA TYR 118 -5.939 6.188 2.356 929 1HB TYR 118 2HB TYR 118 -4.375 4.686 3.327 930 2HB TYR 118 1HB TYR 118 -4.757 5.218 4.957 931 HD1 TYR 118 1HD TYR 118 -6.156 3.898 6.261 932 HD2 TYR 118 2HD TYR 118 -6.381 3.548 2.020 933 HE1 TYR 118 1HE TYR 118 -7.724 2.023 6.502 934 HE2 TYR 118 2HE TYR 118 -7.955 1.672 2.256 935 HH TYR 118 HH TYR 118 -9.504 0.916 5.146 936 H ALA 119 H ALA 119 -6.145 7.197 5.755 937 HA ALA 119 HA ALA 119 -8.771 6.325 6.225 938 1HB ALA 119 1HB ALA 119 -7.175 6.855 8.009 939 2HB ALA 119 2HB ALA 119 -8.700 7.714 8.222 940 3HB ALA 119 3HB ALA 119 -7.287 8.568 7.598 941 H ARG 120 H ARG 120 -7.567 9.262 4.768 942 HA ARG 120 HA ARG 120 -10.153 10.592 4.964 943 1HB ARG 120 2HB ARG 120 -9.030 12.534 4.039 944 2HB ARG 120 1HB ARG 120 -8.068 11.867 5.351 945 1HG ARG 120 2HG ARG 120 -6.754 10.647 3.510 946 2HG ARG 120 1HG ARG 120 -7.535 11.774 2.400 947 1HD ARG 120 2HD ARG 120 -5.774 12.473 4.752 948 2HD ARG 120 1HD ARG 120 -5.357 12.617 3.045 949 HE ARG 120 HE ARG 120 -7.564 14.172 3.272 950 1HH1 ARG 120 1HH1 ARG 120 -4.556 14.020 5.073 951 2HH1 ARG 120 2HH1 ARG 120 -4.538 15.722 5.422 952 1HH2 ARG 120 1HH2 ARG 120 -7.562 16.388 3.747 953 2HH2 ARG 120 2HH2 ARG 120 -6.253 17.079 4.660 954 H PHE 121 H PHE 121 -8.227 8.841 2.660 955 HA PHE 121 HA PHE 121 -9.508 9.675 0.282 956 1HB PHE 121 2HB PHE 121 -7.380 8.523 0.177 957 2HB PHE 121 1HB PHE 121 -8.056 7.105 0.970 958 HD1 PHE 121 1HD PHE 121 -8.869 5.341 -0.321 959 HD2 PHE 121 2HD PHE 121 -8.427 9.189 -2.099 960 HE1 PHE 121 1HE PHE 121 -9.435 4.389 -2.518 961 HE2 PHE 121 2HE PHE 121 -8.991 8.239 -4.296 962 HZ PHE 121 HZ PHE 121 -9.498 5.838 -4.507 963 H VAL 122 H VAL 122 -9.960 6.704 2.214 964 HA VAL 122 HA VAL 122 -12.230 5.800 0.783 965 HB VAL 122 HB VAL 122 -12.587 4.241 2.640 966 1HG1 VAL 122 1HG1 VAL 122 -10.854 3.713 1.006 967 2HG1 VAL 122 2HG1 VAL 122 -10.411 3.111 2.604 968 3HG1 VAL 122 3HG1 VAL 122 -9.660 4.578 1.975 969 1HG2 VAL 122 1HG2 VAL 122 -10.464 5.823 4.101 970 2HG2 VAL 122 2HG2 VAL 122 -11.164 4.299 4.647 971 3HG2 VAL 122 3HG2 VAL 122 -12.175 5.738 4.522 972 H LYS 123 H LYS 123 -11.809 8.162 3.233 973 HA LYS 123 HA LYS 123 -14.407 8.160 4.382 974 1HB LYS 123 2HB LYS 123 -12.436 9.124 5.500 975 2HB LYS 123 1HB LYS 123 -12.325 10.357 4.253 976 1HG LYS 123 2HG LYS 123 -14.624 11.122 4.958 977 2HG LYS 123 1HG LYS 123 -14.479 10.026 6.335 978 1HD LYS 123 2HD LYS 123 -12.658 12.351 5.679 979 2HD LYS 123 1HD LYS 123 -13.841 12.283 6.984 980 1HE LYS 123 2HE LYS 123 -12.584 10.479 8.047 981 2HE LYS 123 1HE LYS 123 -11.420 10.492 6.722 982 1HZ LYS 123 1HZ LYS 123 -11.929 12.736 8.599 983 2HZ LYS 123 2HZ LYS 123 -10.820 12.755 7.325 984 3HZ LYS 123 3HZ LYS 123 -10.587 11.706 8.630 985 H SER 124 H SER 124 -12.894 9.956 1.738 986 HA SER 124 HA SER 124 -15.082 11.744 1.346 987 1HB SER 124 2HB SER 124 -13.890 12.352 -0.753 988 2HB SER 124 1HB SER 124 -12.830 12.370 0.655 989 HG SER 124 HG SER 124 -12.644 9.949 -0.257 990 HA PRO 125 HA PRO 125 -17.916 9.313 -1.033 991 1HB PRO 125 2HB PRO 125 -18.786 11.160 -2.881 992 2HB PRO 125 1HB PRO 125 -19.339 11.101 -1.204 993 1HG PRO 125 2HG PRO 125 -17.229 12.839 -2.441 994 2HG PRO 125 1HG PRO 125 -18.503 13.276 -1.286 995 1HD PRO 125 2HD PRO 125 -15.976 12.880 -0.482 996 2HD PRO 125 1HD PRO 125 -17.350 12.365 0.522 997 H LEU 126 H LEU 126 -15.175 10.777 -2.464 998 HA LEU 126 HA LEU 126 -15.258 10.033 -5.120 999 1HB LEU 126 2HB LEU 126 -13.472 11.362 -3.949 1000 2HB LEU 126 1HB LEU 126 -12.836 9.865 -3.303 1001 HG LEU 126 HG LEU 126 -13.039 10.333 -6.281 1002 1HD1 LEU 126 1HD1 LEU 126 -10.707 11.077 -6.249 1003 2HD1 LEU 126 2HD1 LEU 126 -10.712 11.040 -4.486 1004 3HD1 LEU 126 3HD1 LEU 126 -11.744 12.182 -5.347 1005 1HD2 LEU 126 1HD2 LEU 126 -11.190 8.695 -6.347 1006 2HD2 LEU 126 2HD2 LEU 126 -12.647 8.028 -5.617 1007 3HD2 LEU 126 3HD2 LEU 126 -11.299 8.523 -4.594 1008 H TYR 127 H TYR 127 -14.548 8.089 -2.273 1009 HA TYR 127 HA TYR 127 -13.675 5.736 -3.511 1010 1HB TYR 127 2HB TYR 127 -13.674 6.330 -1.015 1011 2HB TYR 127 1HB TYR 127 -15.360 5.830 -0.995 1012 HD1 TYR 127 1HD TYR 127 -15.947 3.438 -1.401 1013 HD2 TYR 127 2HD TYR 127 -11.902 4.731 -1.092 1014 HE1 TYR 127 1HE TYR 127 -15.229 1.108 -1.069 1015 HE2 TYR 127 2HE TYR 127 -11.180 2.411 -0.767 1016 HH TYR 127 HH TYR 127 -12.952 -0.189 -1.510 1017 H ARG 128 H ARG 128 -16.946 6.592 -2.379 1018 HA ARG 128 HA ARG 128 -18.302 4.383 -3.441 1019 1HB ARG 128 2HB ARG 128 -19.318 5.859 -1.789 1020 2HB ARG 128 1HB ARG 128 -19.287 7.203 -2.924 1021 1HG ARG 128 2HG ARG 128 -20.900 6.068 -4.351 1022 2HG ARG 128 1HG ARG 128 -20.894 4.669 -3.273 1023 1HD ARG 128 2HD ARG 128 -21.778 6.063 -1.460 1024 2HD ARG 128 1HD ARG 128 -21.769 7.466 -2.530 1025 HE ARG 128 HE ARG 128 -23.445 6.288 -3.894 1026 1HH1 ARG 128 1HH1 ARG 128 -23.007 5.290 -0.563 1027 2HH1 ARG 128 2HH1 ARG 128 -24.595 4.602 -0.432 1028 1HH2 ARG 128 1HH2 ARG 128 -25.534 5.383 -3.715 1029 2HH2 ARG 128 2HH2 ARG 128 -26.023 4.653 -2.216 1030 H GLU 129 H GLU 129 -17.339 7.421 -4.882 1031 HA GLU 129 HA GLU 129 -18.839 7.263 -7.262 1032 1HB GLU 129 2HB GLU 129 -17.704 9.312 -6.404 1033 2HB GLU 129 1HB GLU 129 -16.153 8.596 -6.814 1034 1HG GLU 129 2HG GLU 129 -16.908 10.240 -8.471 1035 2HG GLU 129 1HG GLU 129 -16.703 8.631 -9.162 1036 H CYS 130 H CYS 130 -15.900 5.726 -6.214 1037 HA CYS 130 HA CYS 130 -15.176 4.736 -8.827 1038 1HB CYS 130 2HB CYS 130 -14.207 3.880 -6.084 1039 2HB CYS 130 1HB CYS 130 -13.479 3.424 -7.621 1040 HG CYS 130 HG CYS 130 -13.730 6.711 -6.774 1041 H LEU 131 H LEU 131 -17.124 3.679 -6.127 1042 HA LEU 131 HA LEU 131 -17.411 0.959 -6.904 1043 1HB LEU 131 2HB LEU 131 -18.977 2.802 -5.130 1044 2HB LEU 131 1HB LEU 131 -19.673 1.260 -5.584 1045 HG LEU 131 HG LEU 131 -17.723 0.100 -4.588 1046 1HD1 LEU 131 1HD1 LEU 131 -16.056 1.862 -4.843 1047 2HD1 LEU 131 2HD1 LEU 131 -16.165 1.321 -3.169 1048 3HD1 LEU 131 3HD1 LEU 131 -16.905 2.848 -3.650 1049 1HD2 LEU 131 1HD2 LEU 131 -19.152 1.994 -2.720 1050 2HD2 LEU 131 2HD2 LEU 131 -18.321 0.510 -2.250 1051 3HD2 LEU 131 3HD2 LEU 131 -19.751 0.432 -3.277 1052 H LEU 132 H LEU 132 -18.903 3.922 -7.930 1053 HA LEU 132 HA LEU 132 -20.325 4.457 -9.613 1054 1HB LEU 132 2HB LEU 132 -19.527 1.724 -10.633 1055 2HB LEU 132 1HB LEU 132 -20.445 2.893 -11.563 1056 HG LEU 132 HG LEU 132 -17.639 3.368 -10.531 1057 1HD1 LEU 132 1HD1 LEU 132 -17.648 1.572 -12.184 1058 2HD1 LEU 132 2HD1 LEU 132 -16.921 3.035 -12.849 1059 3HD1 LEU 132 3HD1 LEU 132 -18.566 2.586 -13.299 1060 1HD2 LEU 132 1HD2 LEU 132 -18.915 5.420 -10.860 1061 2HD2 LEU 132 2HD2 LEU 132 -19.346 4.909 -12.493 1062 3HD2 LEU 132 3HD2 LEU 132 -17.665 5.261 -12.092 1063 H ALA 133 H ALA 133 -21.046 1.030 -9.842 1064 HA ALA 133 HA ALA 133 -23.422 1.050 -8.284 1065 1HB ALA 133 1HB ALA 133 -24.263 2.401 -10.154 1066 2HB ALA 133 2HB ALA 133 -25.057 0.827 -10.107 1067 3HB ALA 133 3HB ALA 133 -23.787 1.139 -11.291 1068 H GLU 134 H GLU 134 -22.879 -0.882 -7.450 1069 HA GLU 134 HA GLU 134 -22.518 -3.106 -7.241 1070 1HB GLU 134 2HB GLU 134 -23.449 -3.248 -10.122 1071 2HB GLU 134 1HB GLU 134 -23.219 -4.636 -9.069 1072 1HG GLU 134 2HG GLU 134 -25.225 -2.415 -8.707 1073 2HG GLU 134 1HG GLU 134 -25.562 -4.070 -9.208 1074 H ALA 135 H ALA 135 -20.566 -1.134 -8.601 1075 HA ALA 135 HA ALA 135 -18.337 -1.158 -8.985 1076 1HB ALA 135 1HB ALA 135 -18.192 -3.020 -7.396 1077 2HB ALA 135 2HB ALA 135 -17.010 -3.168 -8.696 1078 3HB ALA 135 3HB ALA 135 -18.469 -4.159 -8.714 1079 H GLU 136 H GLU 136 -19.978 -3.796 -10.734 1080 HA GLU 136 HA GLU 136 -20.050 -4.370 -12.920 1081 1HB GLU 136 2HB GLU 136 -19.053 -1.537 -13.247 1082 2HB GLU 136 1HB GLU 136 -19.377 -2.582 -14.621 1083 1HG GLU 136 2HG GLU 136 -21.713 -2.811 -13.855 1084 2HG GLU 136 1HG GLU 136 -21.364 -1.679 -12.546 Start of MODEL 12 1 1H SER 1 1HT SER 1 3.427 -16.226 -12.843 2 2H SER 1 2HT SER 1 2.909 -17.002 -11.435 3 3H SER 1 3HT SER 1 4.370 -16.155 -11.442 4 HA SER 1 HA SER 1 3.243 -14.085 -11.756 5 1HB SER 1 2HB SER 1 1.343 -14.974 -13.071 6 2HB SER 1 1HB SER 1 0.708 -15.752 -11.623 7 HG SER 1 HG SER 1 -0.361 -13.835 -11.824 8 H MET 2 H MET 2 2.149 -12.905 -9.965 9 HA MET 2 HA MET 2 2.003 -14.411 -7.444 10 1HB MET 2 2HB MET 2 3.300 -12.704 -6.267 11 2HB MET 2 1HB MET 2 4.258 -13.425 -7.551 12 1HG MET 2 2HG MET 2 3.900 -11.489 -8.959 13 2HG MET 2 1HG MET 2 2.835 -10.775 -7.750 14 1HE MET 2 1HE MET 2 4.387 -11.511 -5.032 15 2HE MET 2 2HE MET 2 3.655 -9.941 -5.366 16 3HE MET 2 3HE MET 2 5.328 -10.035 -4.812 17 H THR 3 H THR 3 0.257 -12.835 -9.493 18 HA THR 3 HA THR 3 -0.931 -10.849 -7.691 19 HB THR 3 HB THR 3 -2.277 -10.249 -9.789 20 HG1 THR 3 1HG THR 3 -1.757 -12.263 -10.897 21 1HG2 THR 3 1HG2 THR 3 0.736 -9.953 -9.865 22 2HG2 THR 3 2HG2 THR 3 -0.389 -8.897 -9.010 23 3HG2 THR 3 3HG2 THR 3 -0.416 -8.971 -10.771 24 H GLU 4 H GLU 4 -3.379 -10.657 -7.900 25 HA GLU 4 HA GLU 4 -4.849 -13.066 -8.476 26 1HB GLU 4 2HB GLU 4 -5.923 -12.967 -6.113 27 2HB GLU 4 1HB GLU 4 -4.373 -13.767 -6.304 28 1HG GLU 4 2HG GLU 4 -4.045 -12.544 -4.387 29 2HG GLU 4 1HG GLU 4 -3.370 -11.476 -5.613 30 H GLU 5 H GLU 5 -7.290 -12.621 -7.896 31 HA GLU 5 HA GLU 5 -7.842 -9.985 -9.045 32 1HB GLU 5 2HB GLU 5 -9.580 -12.439 -8.739 33 2HB GLU 5 1HB GLU 5 -10.178 -10.901 -9.344 34 1HG GLU 5 2HG GLU 5 -9.738 -12.244 -11.234 35 2HG GLU 5 1HG GLU 5 -8.450 -11.045 -11.161 36 H GLN 6 H GLN 6 -8.779 -8.386 -7.996 37 HA GLN 6 HA GLN 6 -10.233 -8.866 -5.511 38 1HB GLN 6 2HB GLN 6 -8.963 -7.189 -4.280 39 2HB GLN 6 1HB GLN 6 -7.883 -8.452 -4.843 40 1HG GLN 6 2HG GLN 6 -8.201 -5.699 -6.038 41 2HG GLN 6 1HG GLN 6 -6.843 -6.281 -5.079 42 1HE2 GLN 6 1HE2 GLN 6 -5.438 -7.838 -6.009 43 2HE2 GLN 6 2HE2 GLN 6 -5.325 -8.027 -7.722 44 HA PRO 7 HA PRO 7 -12.668 -5.603 -7.400 45 1HB PRO 7 2HB PRO 7 -14.509 -5.284 -5.462 46 2HB PRO 7 1HB PRO 7 -14.476 -6.734 -6.472 47 1HG PRO 7 2HG PRO 7 -13.424 -6.342 -3.690 48 2HG PRO 7 1HG PRO 7 -14.346 -7.705 -4.353 49 1HD PRO 7 2HD PRO 7 -11.621 -7.719 -4.045 50 2HD PRO 7 1HD PRO 7 -12.474 -8.679 -5.271 51 H VAL 8 H VAL 8 -13.305 -3.352 -6.922 52 HA VAL 8 HA VAL 8 -11.210 -1.853 -5.799 53 HB VAL 8 HB VAL 8 -12.654 0.121 -6.087 54 1HG1 VAL 8 1HG1 VAL 8 -12.786 -1.819 -8.403 55 2HG1 VAL 8 2HG1 VAL 8 -11.435 -0.754 -8.013 56 3HG1 VAL 8 3HG1 VAL 8 -12.981 -0.068 -8.513 57 1HG2 VAL 8 1HG2 VAL 8 -14.936 -0.137 -6.993 58 2HG2 VAL 8 2HG2 VAL 8 -14.787 -0.816 -5.373 59 3HG2 VAL 8 3HG2 VAL 8 -14.815 -1.884 -6.777 60 H ALA 9 H ALA 9 -13.821 -3.399 -4.269 61 HA ALA 9 HA ALA 9 -14.073 -1.601 -2.034 62 1HB ALA 9 1HB ALA 9 -15.060 -4.440 -2.359 63 2HB ALA 9 2HB ALA 9 -15.962 -2.981 -2.768 64 3HB ALA 9 3HB ALA 9 -15.540 -3.313 -1.088 65 H SER 10 H SER 10 -11.720 -3.779 -2.936 66 HA SER 10 HA SER 10 -11.115 -5.030 -0.449 67 1HB SER 10 2HB SER 10 -9.281 -4.537 -2.815 68 2HB SER 10 1HB SER 10 -9.035 -5.719 -1.528 69 HG SER 10 HG SER 10 -10.599 -5.856 -3.766 70 H TRP 11 H TRP 11 -10.595 -1.885 -1.675 71 HA TRP 11 HA TRP 11 -8.100 -1.259 -0.542 72 1HB TRP 11 2HB TRP 11 -10.381 0.665 -1.056 73 2HB TRP 11 1HB TRP 11 -8.671 1.061 -0.942 74 HD1 TRP 11 HD TRP 11 -8.183 -1.754 -2.913 75 HE1 TRP 11 1HE TRP 11 -8.393 -1.335 -5.445 76 HE3 TRP 11 3HE TRP 11 -10.662 2.712 -2.782 77 HZ2 TRP 11 2HZ TRP 11 -9.468 0.646 -7.156 78 HZ3 TRP 11 3HZ TRP 11 -11.245 3.808 -4.901 79 HH2 TRP 11 HH TRP 11 -10.656 2.795 -7.048 80 H ALA 12 H ALA 12 -11.408 -0.890 0.719 81 HA ALA 12 HA ALA 12 -10.598 0.434 3.118 82 1HB ALA 12 1HB ALA 12 -12.840 0.721 2.192 83 2HB ALA 12 2HB ALA 12 -12.904 0.129 3.851 84 3HB ALA 12 3HB ALA 12 -13.195 -0.977 2.508 85 H LEU 13 H LEU 13 -10.463 -2.822 2.164 86 HA LEU 13 HA LEU 13 -10.873 -4.043 4.707 87 1HB LEU 13 2HB LEU 13 -9.304 -5.051 2.322 88 2HB LEU 13 1HB LEU 13 -9.776 -6.016 3.709 89 HG LEU 13 HG LEU 13 -11.644 -4.770 1.680 90 1HD1 LEU 13 1HD1 LEU 13 -10.458 -6.721 0.829 91 2HD1 LEU 13 2HD1 LEU 13 -12.163 -7.087 1.086 92 3HD1 LEU 13 3HD1 LEU 13 -10.954 -7.657 2.240 93 1HD2 LEU 13 1HD2 LEU 13 -12.661 -4.740 3.894 94 2HD2 LEU 13 2HD2 LEU 13 -12.280 -6.448 4.111 95 3HD2 LEU 13 3HD2 LEU 13 -13.435 -5.952 2.873 96 H SER 14 H SER 14 -7.973 -3.087 2.889 97 HA SER 14 HA SER 14 -6.568 -2.469 5.329 98 1HB SER 14 2HB SER 14 -5.560 -4.705 3.540 99 2HB SER 14 1HB SER 14 -4.626 -3.956 4.833 100 HG SER 14 HG SER 14 -6.961 -4.706 5.849 101 H PHE 15 H PHE 15 -4.903 -1.030 4.998 102 HA PHE 15 HA PHE 15 -4.794 0.453 2.614 103 1HB PHE 15 2HB PHE 15 -4.079 1.397 4.761 104 2HB PHE 15 1HB PHE 15 -2.754 0.243 4.852 105 HD1 PHE 15 1HD PHE 15 -0.767 1.422 4.699 106 HD2 PHE 15 2HD PHE 15 -3.963 2.433 2.067 107 HE1 PHE 15 1HE PHE 15 0.693 3.030 3.545 108 HE2 PHE 15 2HE PHE 15 -2.503 4.040 0.909 109 HZ PHE 15 HZ PHE 15 -0.173 4.339 1.648 110 H GLU 16 H GLU 16 -2.951 -2.282 3.796 111 HA GLU 16 HA GLU 16 -0.926 -2.529 1.971 112 1HB GLU 16 2HB GLU 16 -1.263 -4.088 3.834 113 2HB GLU 16 1HB GLU 16 -2.703 -4.732 3.059 114 1HG GLU 16 2HG GLU 16 -1.335 -5.585 1.215 115 2HG GLU 16 1HG GLU 16 0.110 -4.931 1.985 116 H ARG 17 H ARG 17 -4.330 -3.449 1.559 117 HA ARG 17 HA ARG 17 -4.048 -4.553 -1.028 118 1HB ARG 17 2HB ARG 17 -6.437 -3.467 0.465 119 2HB ARG 17 1HB ARG 17 -6.569 -4.128 -1.160 120 1HG ARG 17 2HG ARG 17 -5.547 -5.621 1.255 121 2HG ARG 17 1HG ARG 17 -7.163 -5.769 0.560 122 1HD ARG 17 2HD ARG 17 -6.237 -6.623 -1.511 123 2HD ARG 17 1HD ARG 17 -4.595 -6.367 -0.919 124 HE ARG 17 HE ARG 17 -5.539 -8.027 0.933 125 1HH1 ARG 17 1HH1 ARG 17 -5.781 -8.170 -2.564 126 2HH1 ARG 17 2HH1 ARG 17 -5.811 -9.899 -2.627 127 1HH2 ARG 17 1HH2 ARG 17 -5.568 -10.312 0.860 128 2HH2 ARG 17 2HH2 ARG 17 -5.665 -11.125 -0.673 129 H LEU 18 H LEU 18 -5.294 -1.363 0.007 130 HA LEU 18 HA LEU 18 -5.675 -0.323 -2.570 131 1HB LEU 18 2HB LEU 18 -6.602 0.695 -0.534 132 2HB LEU 18 1HB LEU 18 -4.995 1.144 -0.005 133 HG LEU 18 HG LEU 18 -6.019 2.211 -2.625 134 1HD1 LEU 18 1HD1 LEU 18 -6.697 3.356 0.087 135 2HD1 LEU 18 2HD1 LEU 18 -7.836 2.647 -1.059 136 3HD1 LEU 18 3HD1 LEU 18 -6.989 4.138 -1.468 137 1HD2 LEU 18 1HD2 LEU 18 -4.617 4.133 -2.014 138 2HD2 LEU 18 2HD2 LEU 18 -3.688 2.635 -2.025 139 3HD2 LEU 18 3HD2 LEU 18 -4.197 3.344 -0.493 140 H LEU 19 H LEU 19 -2.827 -0.597 -0.611 141 HA LEU 19 HA LEU 19 -1.218 1.181 -2.226 142 1HB LEU 19 2HB LEU 19 -1.025 0.971 0.252 143 2HB LEU 19 1HB LEU 19 -0.428 -0.658 0.039 144 HG LEU 19 HG LEU 19 1.571 0.158 -1.055 145 1HD1 LEU 19 1HD1 LEU 19 0.698 2.077 -2.239 146 2HD1 LEU 19 2HD1 LEU 19 2.038 2.580 -1.211 147 3HD1 LEU 19 3HD1 LEU 19 0.377 2.911 -0.717 148 1HD2 LEU 19 1HD2 LEU 19 1.011 1.696 1.479 149 2HD2 LEU 19 2HD2 LEU 19 2.603 1.330 0.814 150 3HD2 LEU 19 3HD2 LEU 19 1.567 0.025 1.385 151 H GLN 20 H GLN 20 -2.104 -2.085 -2.259 152 HA GLN 20 HA GLN 20 0.093 -2.746 -4.115 153 1HB GLN 20 2HB GLN 20 -1.727 -4.506 -2.467 154 2HB GLN 20 1HB GLN 20 -0.754 -5.139 -3.790 155 1HG GLN 20 2HG GLN 20 0.347 -3.684 -1.388 156 2HG GLN 20 1HG GLN 20 0.291 -5.436 -1.574 157 1HE2 GLN 20 1HE2 GLN 20 1.720 -2.477 -2.773 158 2HE2 GLN 20 2HE2 GLN 20 3.079 -3.220 -3.540 159 H ASP 21 H ASP 21 -2.912 -1.534 -4.190 160 HA ASP 21 HA ASP 21 -3.818 -3.053 -6.541 161 1HB ASP 21 2HB ASP 21 -5.391 -2.700 -4.598 162 2HB ASP 21 1HB ASP 21 -5.343 -0.975 -4.940 163 HA PRO 22 HA PRO 22 -2.125 0.317 -8.945 164 1HB PRO 22 2HB PRO 22 -3.155 -0.432 -11.367 165 2HB PRO 22 1HB PRO 22 -1.744 -1.199 -10.629 166 1HG PRO 22 2HG PRO 22 -4.602 -2.108 -10.639 167 2HG PRO 22 1HG PRO 22 -3.125 -3.057 -10.902 168 1HD PRO 22 2HD PRO 22 -4.418 -3.057 -8.532 169 2HD PRO 22 1HD PRO 22 -2.649 -3.179 -8.635 170 H LEU 23 H LEU 23 -5.534 -0.558 -8.972 171 HA LEU 23 HA LEU 23 -6.391 1.874 -10.279 172 1HB LEU 23 2HB LEU 23 -7.500 -0.518 -10.211 173 2HB LEU 23 1HB LEU 23 -8.202 0.048 -8.711 174 HG LEU 23 HG LEU 23 -8.573 1.443 -11.373 175 1HD1 LEU 23 1HD1 LEU 23 -10.801 0.439 -11.421 176 2HD1 LEU 23 2HD1 LEU 23 -10.428 -0.477 -9.961 177 3HD1 LEU 23 3HD1 LEU 23 -9.543 -0.797 -11.453 178 1HD2 LEU 23 1HD2 LEU 23 -10.429 2.572 -10.239 179 2HD2 LEU 23 2HD2 LEU 23 -8.891 2.902 -9.444 180 3HD2 LEU 23 3HD2 LEU 23 -10.016 1.742 -8.736 181 H GLY 24 H GLY 24 -6.256 0.546 -7.022 182 1HA GLY 24 2HA GLY 24 -7.486 2.642 -5.619 183 2HA GLY 24 1HA GLY 24 -6.290 1.536 -4.957 184 H LEU 25 H LEU 25 -3.997 2.011 -5.973 185 HA LEU 25 HA LEU 25 -3.094 4.465 -5.039 186 1HB LEU 25 2HB LEU 25 -1.887 2.518 -6.990 187 2HB LEU 25 1HB LEU 25 -1.050 3.985 -6.515 188 HG LEU 25 HG LEU 25 -1.908 1.767 -4.647 189 1HD1 LEU 25 1HD1 LEU 25 0.492 1.351 -4.404 190 2HD1 LEU 25 2HD1 LEU 25 0.833 2.587 -5.614 191 3HD1 LEU 25 3HD1 LEU 25 -0.036 1.122 -6.072 192 1HD2 LEU 25 1HD2 LEU 25 -1.983 4.022 -3.622 193 2HD2 LEU 25 2HD2 LEU 25 -0.289 4.252 -4.060 194 3HD2 LEU 25 3HD2 LEU 25 -0.743 2.988 -2.919 195 H ALA 26 H ALA 26 -4.434 3.677 -8.170 196 HA ALA 26 HA ALA 26 -3.471 5.837 -9.666 197 1HB ALA 26 1HB ALA 26 -6.172 4.499 -9.898 198 2HB ALA 26 2HB ALA 26 -4.682 3.957 -10.670 199 3HB ALA 26 3HB ALA 26 -5.401 5.501 -11.127 200 H TYR 27 H TYR 27 -6.582 5.595 -7.901 201 HA TYR 27 HA TYR 27 -7.096 8.409 -8.237 202 1HB TYR 27 2HB TYR 27 -8.473 6.250 -6.633 203 2HB TYR 27 1HB TYR 27 -8.995 7.931 -6.596 204 HD1 TYR 27 1HD TYR 27 -9.569 9.024 -8.871 205 HD2 TYR 27 2HD TYR 27 -9.311 4.813 -8.294 206 HE1 TYR 27 1HE TYR 27 -10.946 8.671 -10.875 207 HE2 TYR 27 2HE TYR 27 -10.692 4.453 -10.297 208 HH TYR 27 HH TYR 27 -12.326 5.644 -11.650 209 H PHE 28 H PHE 28 -5.657 6.393 -5.793 210 HA PHE 28 HA PHE 28 -5.737 8.156 -3.607 211 1HB PHE 28 2HB PHE 28 -5.119 5.731 -3.504 212 2HB PHE 28 1HB PHE 28 -3.580 6.125 -4.258 213 HD1 PHE 28 1HD PHE 28 -1.762 6.916 -2.964 214 HD2 PHE 28 2HD PHE 28 -5.652 6.674 -1.239 215 HE1 PHE 28 1HE PHE 28 -0.802 7.330 -0.738 216 HE2 PHE 28 2HE PHE 28 -4.693 7.094 0.985 217 HZ PHE 28 HZ PHE 28 -2.266 7.422 1.238 218 H THR 29 H THR 29 -3.287 7.685 -6.148 219 HA THR 29 HA THR 29 -1.598 9.773 -5.162 220 HB THR 29 HB THR 29 -0.776 7.830 -6.568 221 HG1 THR 29 1HG THR 29 -0.181 10.497 -7.395 222 1HG2 THR 29 1HG2 THR 29 -2.500 7.861 -8.311 223 2HG2 THR 29 2HG2 THR 29 -0.895 8.061 -9.012 224 3HG2 THR 29 3HG2 THR 29 -1.957 9.457 -8.831 225 H GLU 30 H GLU 30 -4.305 9.573 -7.342 226 HA GLU 30 HA GLU 30 -4.061 11.911 -8.818 227 1HB GLU 30 2HB GLU 30 -5.930 10.016 -8.749 228 2HB GLU 30 1HB GLU 30 -6.736 11.148 -7.677 229 1HG GLU 30 2HG GLU 30 -5.848 11.755 -10.496 230 2HG GLU 30 1HG GLU 30 -7.487 11.330 -10.011 231 H PHE 31 H PHE 31 -5.363 11.416 -5.558 232 HA PHE 31 HA PHE 31 -5.730 14.225 -5.054 233 1HB PHE 31 2HB PHE 31 -5.768 11.773 -3.288 234 2HB PHE 31 1HB PHE 31 -5.930 13.397 -2.627 235 HD1 PHE 31 1HD PHE 31 -8.100 13.869 -2.044 236 HD2 PHE 31 2HD PHE 31 -7.379 11.615 -5.589 237 HE1 PHE 31 1HE PHE 31 -10.517 13.812 -2.497 238 HE2 PHE 31 2HE PHE 31 -9.792 11.561 -6.043 239 HZ PHE 31 HZ PHE 31 -11.367 12.656 -4.499 240 H LEU 32 H LEU 32 -3.273 11.810 -4.266 241 HA LEU 32 HA LEU 32 -1.853 13.506 -2.449 242 1HB LEU 32 2HB LEU 32 -2.026 10.969 -2.410 243 2HB LEU 32 1HB LEU 32 -0.859 10.953 -3.716 244 HG LEU 32 HG LEU 32 0.792 12.062 -2.236 245 1HD1 LEU 32 1HD1 LEU 32 -1.309 11.724 -0.095 246 2HD1 LEU 32 2HD1 LEU 32 -0.765 13.256 -0.781 247 3HD1 LEU 32 3HD1 LEU 32 0.354 12.261 0.149 248 1HD2 LEU 32 1HD2 LEU 32 0.763 9.629 -2.411 249 2HD2 LEU 32 2HD2 LEU 32 -0.410 9.535 -1.097 250 3HD2 LEU 32 3HD2 LEU 32 1.218 10.138 -0.786 251 H LYS 33 H LYS 33 -2.050 13.846 -5.667 252 HA LYS 33 HA LYS 33 0.759 14.701 -5.951 253 1HB LYS 33 2HB LYS 33 0.371 14.700 -8.380 254 2HB LYS 33 1HB LYS 33 0.043 13.128 -7.673 255 1HG LYS 33 2HG LYS 33 -1.770 13.277 -9.027 256 2HG LYS 33 1HG LYS 33 -2.438 14.078 -7.608 257 1HD LYS 33 2HD LYS 33 -3.011 15.399 -9.512 258 2HD LYS 33 1HD LYS 33 -1.753 16.270 -8.634 259 1HE LYS 33 2HE LYS 33 -0.076 15.516 -10.214 260 2HE LYS 33 1HE LYS 33 -1.266 14.514 -11.046 261 1HZ LYS 33 1HZ LYS 33 -1.248 17.479 -10.891 262 2HZ LYS 33 2HZ LYS 33 -2.488 16.569 -11.590 263 3HZ LYS 33 3HZ LYS 33 -0.936 16.537 -12.259 264 H LYS 34 H LYS 34 -2.092 15.933 -5.008 265 HA LYS 34 HA LYS 34 -2.123 18.351 -6.606 266 1HB LYS 34 2HB LYS 34 -3.791 17.432 -4.258 267 2HB LYS 34 1HB LYS 34 -4.008 18.991 -5.046 268 1HG LYS 34 2HG LYS 34 -4.529 17.881 -7.152 269 2HG LYS 34 1HG LYS 34 -4.261 16.307 -6.402 270 1HD LYS 34 2HD LYS 34 -6.153 16.584 -4.964 271 2HD LYS 34 1HD LYS 34 -6.335 18.277 -5.431 272 1HE LYS 34 2HE LYS 34 -7.995 16.790 -6.508 273 2HE LYS 34 1HE LYS 34 -6.976 17.632 -7.672 274 1HZ LYS 34 1HZ LYS 34 -7.310 15.276 -8.218 275 2HZ LYS 34 2HZ LYS 34 -6.552 14.836 -6.775 276 3HZ LYS 34 3HZ LYS 34 -5.680 15.644 -7.969 277 H GLU 35 H GLU 35 -0.766 17.304 -3.611 278 HA GLU 35 HA GLU 35 0.328 20.022 -3.250 279 1HB GLU 35 2HB GLU 35 0.344 19.753 -0.855 280 2HB GLU 35 1HB GLU 35 -1.284 19.446 -1.436 281 1HG GLU 35 2HG GLU 35 0.741 17.382 -0.585 282 2HG GLU 35 1HG GLU 35 -0.701 17.876 0.301 283 H PHE 36 H PHE 36 0.957 16.982 -4.177 284 HA PHE 36 HA PHE 36 2.881 16.065 -4.939 285 1HB PHE 36 2HB PHE 36 3.621 18.478 -5.198 286 2HB PHE 36 1HB PHE 36 4.390 18.338 -3.623 287 HD1 PHE 36 1HD PHE 36 4.342 16.771 -7.005 288 HD2 PHE 36 2HD PHE 36 6.600 17.582 -3.482 289 HE1 PHE 36 1HE PHE 36 6.364 15.887 -8.097 290 HE2 PHE 36 2HE PHE 36 8.620 16.693 -4.569 291 HZ PHE 36 HZ PHE 36 8.503 15.848 -6.878 292 H SER 37 H SER 37 1.697 15.687 -2.199 293 HA SER 37 HA SER 37 3.952 14.934 -0.551 294 1HB SER 37 2HB SER 37 0.978 14.450 -0.237 295 2HB SER 37 1HB SER 37 2.192 14.030 0.970 296 HG SER 37 HG SER 37 1.019 16.182 1.055 297 H ALA 38 H ALA 38 2.867 13.671 -3.285 298 HA ALA 38 HA ALA 38 2.493 10.937 -2.866 299 1HB ALA 38 1HB ALA 38 3.051 10.671 -5.227 300 2HB ALA 38 2HB ALA 38 3.719 12.303 -5.264 301 3HB ALA 38 3HB ALA 38 1.996 12.063 -4.980 302 H GLU 39 H GLU 39 5.276 12.767 -2.339 303 HA GLU 39 HA GLU 39 7.447 11.315 -3.130 304 1HB GLU 39 2HB GLU 39 7.060 12.535 -0.380 305 2HB GLU 39 1HB GLU 39 8.606 12.109 -1.098 306 1HG GLU 39 2HG GLU 39 8.279 13.791 -2.834 307 2HG GLU 39 1HG GLU 39 6.707 14.200 -2.149 308 H ASN 40 H ASN 40 5.373 10.680 -0.354 309 HA ASN 40 HA ASN 40 6.889 8.656 0.850 310 1HB ASN 40 2HB ASN 40 3.886 9.071 0.963 311 2HB ASN 40 1HB ASN 40 4.837 8.115 2.097 312 1HD2 ASN 40 1HD2 ASN 40 3.959 11.308 1.069 313 2HD2 ASN 40 2HD2 ASN 40 4.678 12.157 2.389 314 H VAL 41 H VAL 41 3.976 8.301 -1.211 315 HA VAL 41 HA VAL 41 4.141 5.477 -1.268 316 HB VAL 41 HB VAL 41 2.445 5.547 -3.050 317 1HG1 VAL 41 1HG1 VAL 41 0.675 6.675 -1.769 318 2HG1 VAL 41 2HG1 VAL 41 1.901 7.469 -0.779 319 3HG1 VAL 41 3HG1 VAL 41 1.728 5.714 -0.729 320 1HG2 VAL 41 1HG2 VAL 41 2.805 8.553 -2.956 321 2HG2 VAL 41 2HG2 VAL 41 1.559 7.690 -3.860 322 3HG2 VAL 41 3HG2 VAL 41 3.257 7.496 -4.294 323 H THR 42 H THR 42 5.388 8.003 -3.399 324 HA THR 42 HA THR 42 6.165 6.329 -5.530 325 HB THR 42 HB THR 42 7.488 8.916 -4.663 326 HG1 THR 42 1HG THR 42 5.983 9.752 -6.341 327 1HG2 THR 42 1HG2 THR 42 8.778 7.657 -6.334 328 2HG2 THR 42 2HG2 THR 42 8.092 9.121 -7.038 329 3HG2 THR 42 3HG2 THR 42 7.351 7.555 -7.367 330 H PHE 43 H PHE 43 7.853 7.388 -2.594 331 HA PHE 43 HA PHE 43 10.293 6.049 -3.054 332 1HB PHE 43 2HB PHE 43 10.224 7.692 -1.318 333 2HB PHE 43 1HB PHE 43 8.874 6.897 -0.519 334 HD1 PHE 43 1HD PHE 43 9.313 5.590 1.338 335 HD2 PHE 43 2HD PHE 43 12.416 6.223 -1.512 336 HE1 PHE 43 1HE PHE 43 10.886 4.371 2.784 337 HE2 PHE 43 2HE PHE 43 13.993 5.006 -0.068 338 HZ PHE 43 HZ PHE 43 13.230 4.078 2.081 339 H TRP 44 H TRP 44 7.289 5.065 -1.498 340 HA TRP 44 HA TRP 44 8.167 2.535 -0.620 341 1HB TRP 44 2HB TRP 44 6.116 3.810 0.166 342 2HB TRP 44 1HB TRP 44 5.318 3.295 -1.316 343 HD1 TRP 44 HD TRP 44 6.489 1.980 2.072 344 HE1 TRP 44 1HE TRP 44 5.475 -0.357 2.458 345 HE3 TRP 44 3HE TRP 44 4.483 1.236 -2.555 346 HZ2 TRP 44 2HZ TRP 44 4.005 -2.270 0.965 347 HZ3 TRP 44 3HZ TRP 44 3.287 -0.871 -3.004 348 HH2 TRP 44 HH TRP 44 3.048 -2.584 -1.284 349 H LYS 45 H LYS 45 6.763 3.661 -3.661 350 HA LYS 45 HA LYS 45 6.341 1.177 -4.905 351 1HB LYS 45 2HB LYS 45 7.157 3.822 -6.131 352 2HB LYS 45 1HB LYS 45 6.658 2.417 -7.062 353 1HG LYS 45 2HG LYS 45 4.442 2.514 -6.018 354 2HG LYS 45 1HG LYS 45 4.946 3.933 -5.095 355 1HD LYS 45 2HD LYS 45 5.430 5.081 -7.269 356 2HD LYS 45 1HD LYS 45 4.716 3.698 -8.098 357 1HE LYS 45 2HE LYS 45 2.584 4.115 -6.981 358 2HE LYS 45 1HE LYS 45 3.296 5.474 -6.109 359 1HZ LYS 45 1HZ LYS 45 2.756 5.251 -9.011 360 2HZ LYS 45 2HZ LYS 45 3.805 6.418 -8.385 361 3HZ LYS 45 3HZ LYS 45 2.179 6.413 -7.922 362 H ALA 46 H ALA 46 9.178 3.292 -4.806 363 HA ALA 46 HA ALA 46 10.908 1.801 -6.400 364 1HB ALA 46 1HB ALA 46 11.605 3.462 -3.970 365 2HB ALA 46 2HB ALA 46 11.405 4.072 -5.612 366 3HB ALA 46 3HB ALA 46 12.723 2.961 -5.238 367 H CYS 47 H CYS 47 9.838 1.307 -3.127 368 HA CYS 47 HA CYS 47 11.833 -0.623 -2.431 369 1HB CYS 47 2HB CYS 47 9.146 -0.060 -1.158 370 2HB CYS 47 1HB CYS 47 10.444 -1.014 -0.446 371 HG CYS 47 HG CYS 47 10.896 2.269 -1.271 372 H GLU 48 H GLU 48 8.400 -0.821 -3.449 373 HA GLU 48 HA GLU 48 8.439 -3.691 -3.405 374 1HB GLU 48 2HB GLU 48 6.196 -3.545 -4.474 375 2HB GLU 48 1HB GLU 48 6.333 -2.637 -2.982 376 1HG GLU 48 2HG GLU 48 5.128 -1.211 -4.323 377 2HG GLU 48 1HG GLU 48 6.769 -0.606 -4.514 378 H ARG 49 H ARG 49 9.483 -1.341 -5.621 379 HA ARG 49 HA ARG 49 9.594 -3.124 -7.890 380 1HB ARG 49 2HB ARG 49 10.270 -0.336 -7.331 381 2HB ARG 49 1HB ARG 49 11.539 -1.127 -8.253 382 1HG ARG 49 2HG ARG 49 9.964 -0.025 -9.724 383 2HG ARG 49 1HG ARG 49 9.909 -1.773 -9.956 384 1HD ARG 49 2HD ARG 49 7.902 -1.872 -8.521 385 2HD ARG 49 1HD ARG 49 7.949 -0.115 -8.365 386 HE ARG 49 HE ARG 49 7.869 -0.379 -11.009 387 1HH1 ARG 49 1HH1 ARG 49 5.942 -1.885 -8.494 388 2HH1 ARG 49 2HH1 ARG 49 4.587 -2.160 -9.538 389 1HH2 ARG 49 1HH2 ARG 49 6.086 -0.712 -12.366 390 2HH2 ARG 49 2HH2 ARG 49 4.668 -1.509 -11.759 391 H PHE 50 H PHE 50 11.574 -2.267 -5.166 392 HA PHE 50 HA PHE 50 14.024 -3.355 -6.182 393 1HB PHE 50 2HB PHE 50 13.814 -1.487 -4.489 394 2HB PHE 50 1HB PHE 50 13.321 -2.695 -3.311 395 HD1 PHE 50 1HD PHE 50 14.941 -4.310 -2.431 396 HD2 PHE 50 2HD PHE 50 16.106 -1.305 -5.221 397 HE1 PHE 50 1HE PHE 50 17.301 -4.703 -1.870 398 HE2 PHE 50 2HE PHE 50 18.468 -1.703 -4.662 399 HZ PHE 50 HZ PHE 50 19.067 -3.404 -2.986 400 H GLN 51 H GLN 51 11.334 -4.551 -4.296 401 HA GLN 51 HA GLN 51 12.546 -6.805 -3.124 402 1HB GLN 51 2HB GLN 51 10.319 -7.647 -2.752 403 2HB GLN 51 1HB GLN 51 10.300 -5.905 -2.506 404 1HG GLN 51 2HG GLN 51 9.350 -5.596 -4.736 405 2HG GLN 51 1HG GLN 51 9.368 -7.340 -4.989 406 1HE2 GLN 51 1HE2 GLN 51 7.131 -5.495 -5.040 407 2HE2 GLN 51 2HE2 GLN 51 6.013 -6.052 -3.844 408 H GLN 52 H GLN 52 11.726 -6.156 -6.376 409 HA GLN 52 HA GLN 52 11.351 -8.808 -7.322 410 1HB GLN 52 2HB GLN 52 10.672 -6.768 -8.575 411 2HB GLN 52 1HB GLN 52 12.368 -6.375 -8.819 412 1HG GLN 52 2HG GLN 52 12.642 -8.494 -10.067 413 2HG GLN 52 1HG GLN 52 10.914 -8.794 -9.882 414 1HE2 GLN 52 1HE2 GLN 52 9.443 -7.477 -10.995 415 2HE2 GLN 52 2HE2 GLN 52 9.927 -6.536 -12.365 416 H ILE 53 H ILE 53 14.101 -6.880 -6.517 417 HA ILE 53 HA ILE 53 16.053 -8.480 -7.903 418 HB ILE 53 HB ILE 53 16.460 -6.447 -5.688 419 1HG1 ILE 53 2HG1 ILE 53 16.615 -6.058 -8.695 420 2HG1 ILE 53 1HG1 ILE 53 15.297 -5.500 -7.669 421 1HG2 ILE 53 1HG2 ILE 53 18.377 -7.919 -5.968 422 2HG2 ILE 53 2HG2 ILE 53 18.760 -6.300 -6.551 423 3HG2 ILE 53 3HG2 ILE 53 18.403 -7.589 -7.700 424 1HD1 ILE 53 1HD1 ILE 53 16.848 -4.037 -6.479 425 2HD1 ILE 53 2HD1 ILE 53 16.812 -3.690 -8.207 426 3HD1 ILE 53 3HD1 ILE 53 18.162 -4.590 -7.517 427 HA PRO 54 HA PRO 54 16.119 -11.534 -4.629 428 1HB PRO 54 2HB PRO 54 18.069 -13.126 -5.603 429 2HB PRO 54 1HB PRO 54 16.465 -13.058 -6.344 430 1HG PRO 54 2HG PRO 54 19.003 -11.709 -7.195 431 2HG PRO 54 1HG PRO 54 17.780 -12.525 -8.189 432 1HD PRO 54 2HD PRO 54 17.914 -9.803 -7.876 433 2HD PRO 54 1HD PRO 54 16.418 -10.678 -8.239 434 H ALA 55 H ALA 55 17.442 -12.123 -2.875 435 HA ALA 55 HA ALA 55 19.324 -10.269 -1.946 436 1HB ALA 55 1HB ALA 55 18.090 -11.787 -0.465 437 2HB ALA 55 2HB ALA 55 19.829 -11.914 -0.203 438 3HB ALA 55 3HB ALA 55 18.981 -13.160 -1.120 439 H SER 56 H SER 56 21.564 -10.343 -1.810 440 HA SER 56 HA SER 56 23.709 -10.854 -2.297 441 1HB SER 56 2HB SER 56 23.109 -13.204 -1.755 442 2HB SER 56 1HB SER 56 22.677 -13.463 -3.444 443 HG SER 56 HG SER 56 24.987 -12.611 -3.756 444 H ASP 57 H ASP 57 21.307 -10.428 -4.627 445 HA ASP 57 HA ASP 57 23.035 -10.440 -6.934 446 1HB ASP 57 2HB ASP 57 20.530 -10.680 -7.066 447 2HB ASP 57 1HB ASP 57 20.385 -9.001 -6.567 448 H THR 58 H THR 58 24.731 -9.292 -5.703 449 HA THR 58 HA THR 58 24.515 -6.909 -4.386 450 HB THR 58 HB THR 58 26.933 -7.830 -5.960 451 HG1 THR 58 1HG THR 58 26.484 -8.335 -3.213 452 1HG2 THR 58 1HG2 THR 58 26.705 -6.049 -3.519 453 2HG2 THR 58 2HG2 THR 58 27.155 -5.528 -5.143 454 3HG2 THR 58 3HG2 THR 58 28.213 -6.611 -4.240 455 H GLN 59 H GLN 59 25.141 -7.342 -7.863 456 HA GLN 59 HA GLN 59 25.865 -4.686 -8.390 457 1HB GLN 59 2HB GLN 59 25.283 -5.210 -10.772 458 2HB GLN 59 1HB GLN 59 26.399 -6.338 -10.017 459 1HG GLN 59 2HG GLN 59 24.614 -7.949 -9.711 460 2HG GLN 59 1HG GLN 59 23.444 -6.810 -10.373 461 1HE2 GLN 59 1HE2 GLN 59 24.137 -9.476 -11.303 462 2HE2 GLN 59 2HE2 GLN 59 24.676 -9.293 -12.937 463 H GLN 60 H GLN 60 22.667 -6.254 -8.813 464 HA GLN 60 HA GLN 60 21.353 -3.829 -9.516 465 1HB GLN 60 2HB GLN 60 20.440 -6.573 -8.736 466 2HB GLN 60 1HB GLN 60 19.270 -5.265 -8.718 467 1HG GLN 60 2HG GLN 60 19.198 -6.508 -10.806 468 2HG GLN 60 1HG GLN 60 19.670 -4.831 -11.070 469 1HE2 GLN 60 1HE2 GLN 60 20.767 -8.138 -10.992 470 2HE2 GLN 60 2HE2 GLN 60 22.210 -7.887 -11.911 471 H LEU 61 H LEU 61 21.659 -5.645 -6.487 472 HA LEU 61 HA LEU 61 19.954 -4.172 -4.874 473 1HB LEU 61 2HB LEU 61 22.557 -5.543 -4.178 474 2HB LEU 61 1HB LEU 61 21.466 -4.884 -2.977 475 HG LEU 61 HG LEU 61 20.766 -7.105 -4.909 476 1HD1 LEU 61 1HD1 LEU 61 22.445 -7.817 -3.290 477 2HD1 LEU 61 2HD1 LEU 61 20.889 -8.576 -2.961 478 3HD1 LEU 61 3HD1 LEU 61 21.438 -7.226 -1.967 479 1HD2 LEU 61 1HD2 LEU 61 18.779 -7.394 -3.513 480 2HD2 LEU 61 2HD2 LEU 61 18.819 -5.789 -4.239 481 3HD2 LEU 61 3HD2 LEU 61 19.248 -5.998 -2.541 482 H ALA 62 H ALA 62 23.369 -3.564 -5.620 483 HA ALA 62 HA ALA 62 23.612 -1.365 -3.811 484 1HB ALA 62 1HB ALA 62 25.532 -2.750 -4.449 485 2HB ALA 62 2HB ALA 62 25.813 -1.045 -4.799 486 3HB ALA 62 3HB ALA 62 25.407 -2.156 -6.106 487 H GLN 63 H GLN 63 23.239 -1.621 -7.344 488 HA GLN 63 HA GLN 63 23.526 1.161 -7.820 489 1HB GLN 63 2HB GLN 63 22.236 -0.966 -9.547 490 2HB GLN 63 1HB GLN 63 22.651 0.656 -10.084 491 1HG GLN 63 2HG GLN 63 24.630 -1.396 -9.097 492 2HG GLN 63 1HG GLN 63 24.285 -1.053 -10.790 493 1HE2 GLN 63 1HE2 GLN 63 26.418 -0.470 -11.195 494 2HE2 GLN 63 2HE2 GLN 63 27.105 1.009 -10.619 495 H GLU 64 H GLU 64 20.631 -0.925 -7.722 496 HA GLU 64 HA GLU 64 18.802 1.157 -8.183 497 1HB GLU 64 2HB GLU 64 18.587 -1.636 -7.155 498 2HB GLU 64 1HB GLU 64 17.211 -0.565 -6.927 499 1HG GLU 64 2HG GLU 64 17.039 -1.937 -8.964 500 2HG GLU 64 1HG GLU 64 17.016 -0.209 -9.296 501 H ALA 65 H ALA 65 20.045 -0.196 -5.124 502 HA ALA 65 HA ALA 65 18.450 1.366 -3.400 503 1HB ALA 65 1HB ALA 65 20.157 0.947 -1.687 504 2HB ALA 65 2HB ALA 65 21.265 0.360 -2.928 505 3HB ALA 65 3HB ALA 65 19.779 -0.525 -2.584 506 H ARG 66 H ARG 66 21.405 2.031 -5.145 507 HA ARG 66 HA ARG 66 22.007 4.516 -3.887 508 1HB ARG 66 2HB ARG 66 23.653 3.102 -5.121 509 2HB ARG 66 1HB ARG 66 22.833 3.507 -6.622 510 1HG ARG 66 2HG ARG 66 23.486 5.789 -6.466 511 2HG ARG 66 1HG ARG 66 24.053 5.578 -4.805 512 1HD ARG 66 2HD ARG 66 25.247 4.393 -7.313 513 2HD ARG 66 1HD ARG 66 25.967 5.618 -6.265 514 HE ARG 66 HE ARG 66 25.379 2.927 -5.221 515 1HH1 ARG 66 1HH1 ARG 66 27.716 5.425 -5.986 516 2HH1 ARG 66 2HH1 ARG 66 29.008 4.644 -5.127 517 1HH2 ARG 66 1HH2 ARG 66 27.082 1.915 -4.075 518 2HH2 ARG 66 2HH2 ARG 66 28.647 2.665 -4.048 519 H ASN 67 H ASN 67 20.257 3.563 -6.793 520 HA ASN 67 HA ASN 67 19.685 6.127 -7.797 521 1HB ASN 67 2HB ASN 67 18.102 3.546 -8.040 522 2HB ASN 67 1HB ASN 67 17.803 4.996 -8.997 523 1HD2 ASN 67 1HD2 ASN 67 18.608 2.272 -9.809 524 2HD2 ASN 67 2HD2 ASN 67 20.059 2.473 -10.718 525 H ILE 68 H ILE 68 17.810 3.982 -5.669 526 HA ILE 68 HA ILE 68 15.660 5.711 -5.161 527 HB ILE 68 HB ILE 68 16.854 3.635 -3.296 528 1HG1 ILE 68 2HG1 ILE 68 14.563 3.374 -5.268 529 2HG1 ILE 68 1HG1 ILE 68 16.183 2.735 -5.518 530 1HG2 ILE 68 1HG2 ILE 68 14.639 3.597 -2.232 531 2HG2 ILE 68 2HG2 ILE 68 14.107 4.904 -3.291 532 3HG2 ILE 68 3HG2 ILE 68 15.389 5.187 -2.113 533 1HD1 ILE 68 1HD1 ILE 68 15.906 1.265 -3.594 534 2HD1 ILE 68 2HD1 ILE 68 14.649 0.998 -4.802 535 3HD1 ILE 68 3HD1 ILE 68 14.282 1.906 -3.334 536 H TYR 69 H TYR 69 18.796 5.334 -3.579 537 HA TYR 69 HA TYR 69 18.445 7.078 -1.433 538 1HB TYR 69 2HB TYR 69 20.392 5.611 -1.588 539 2HB TYR 69 1HB TYR 69 20.962 6.460 -3.017 540 HD1 TYR 69 1HD TYR 69 20.746 6.519 0.627 541 HD2 TYR 69 2HD TYR 69 21.935 8.721 -2.819 542 HE1 TYR 69 1HE TYR 69 22.055 8.039 2.058 543 HE2 TYR 69 2HE TYR 69 23.236 10.243 -1.403 544 HH TYR 69 HH TYR 69 23.995 9.587 1.811 545 H GLN 70 H GLN 70 19.829 7.768 -4.651 546 HA GLN 70 HA GLN 70 20.205 10.532 -4.092 547 1HB GLN 70 2HB GLN 70 20.327 8.927 -6.642 548 2HB GLN 70 1HB GLN 70 20.645 10.658 -6.595 549 1HG GLN 70 2HG GLN 70 22.507 10.326 -5.100 550 2HG GLN 70 1HG GLN 70 22.150 8.606 -4.975 551 1HE2 GLN 70 1HE2 GLN 70 21.936 10.378 -7.986 552 2HE2 GLN 70 2HE2 GLN 70 23.301 9.636 -8.738 553 H GLU 71 H GLU 71 17.407 8.836 -4.816 554 HA GLU 71 HA GLU 71 16.135 11.170 -6.055 555 1HB GLU 71 2HB GLU 71 15.311 8.278 -5.825 556 2HB GLU 71 1HB GLU 71 14.171 9.526 -6.307 557 1HG GLU 71 2HG GLU 71 16.748 8.897 -7.739 558 2HG GLU 71 1HG GLU 71 15.153 8.311 -8.211 559 H PHE 72 H PHE 72 15.881 9.067 -3.214 560 HA PHE 72 HA PHE 72 13.738 10.829 -2.210 561 1HB PHE 72 2HB PHE 72 13.972 7.848 -1.752 562 2HB PHE 72 1HB PHE 72 12.672 8.895 -1.192 563 HD1 PHE 72 1HD PHE 72 11.288 10.112 -2.991 564 HD2 PHE 72 2HD PHE 72 13.806 6.772 -3.810 565 HE1 PHE 72 1HE PHE 72 10.049 9.686 -5.072 566 HE2 PHE 72 2HE PHE 72 12.569 6.347 -5.891 567 HZ PHE 72 HZ PHE 72 10.690 7.804 -6.526 568 H LEU 73 H LEU 73 16.852 9.690 -1.548 569 HA LEU 73 HA LEU 73 16.500 10.293 1.307 570 1HB LEU 73 2HB LEU 73 17.813 7.817 0.186 571 2HB LEU 73 1HB LEU 73 17.938 8.322 1.863 572 HG LEU 73 HG LEU 73 15.283 7.762 0.526 573 1HD1 LEU 73 1HD1 LEU 73 15.317 5.572 1.600 574 2HD1 LEU 73 2HD1 LEU 73 16.953 5.869 2.186 575 3HD1 LEU 73 3HD1 LEU 73 16.647 5.729 0.455 576 1HD2 LEU 73 1HD2 LEU 73 15.181 9.152 2.532 577 2HD2 LEU 73 2HD2 LEU 73 16.095 7.943 3.435 578 3HD2 LEU 73 3HD2 LEU 73 14.480 7.562 2.833 579 H SER 74 H SER 74 17.972 11.358 -1.278 580 HA SER 74 HA SER 74 20.580 11.767 0.021 581 1HB SER 74 2HB SER 74 20.570 11.090 -2.379 582 2HB SER 74 1HB SER 74 19.704 12.576 -2.769 583 HG SER 74 HG SER 74 21.810 13.049 -3.088 584 H SER 75 H SER 75 21.386 13.889 0.356 585 HA SER 75 HA SER 75 19.510 15.671 1.466 586 1HB SER 75 2HB SER 75 21.546 17.212 1.609 587 2HB SER 75 1HB SER 75 21.706 15.637 2.385 588 HG SER 75 HG SER 75 23.537 16.006 1.163 589 H GLN 76 H GLN 76 21.023 15.494 -1.674 590 HA GLN 76 HA GLN 76 19.801 18.052 -2.471 591 1HB GLN 76 2HB GLN 76 21.341 17.829 -4.481 592 2HB GLN 76 1HB GLN 76 22.122 18.099 -2.934 593 1HG GLN 76 2HG GLN 76 23.405 16.487 -4.115 594 2HG GLN 76 1HG GLN 76 22.579 15.647 -2.808 595 1HE2 GLN 76 1HE2 GLN 76 22.777 16.101 -6.252 596 2HE2 GLN 76 2HE2 GLN 76 21.828 14.723 -6.689 597 H ALA 77 H ALA 77 18.545 15.293 -2.228 598 HA ALA 77 HA ALA 77 18.072 14.261 -4.826 599 1HB ALA 77 1HB ALA 77 16.463 13.873 -2.301 600 2HB ALA 77 2HB ALA 77 17.856 12.911 -2.795 601 3HB ALA 77 3HB ALA 77 16.376 12.875 -3.754 602 H LEU 78 H LEU 78 15.901 14.069 -5.810 603 HA LEU 78 HA LEU 78 14.752 16.666 -6.219 604 1HB LEU 78 2HB LEU 78 13.978 13.937 -7.278 605 2HB LEU 78 1HB LEU 78 13.182 15.426 -7.747 606 HG LEU 78 HG LEU 78 15.398 16.243 -8.627 607 1HD1 LEU 78 1HD1 LEU 78 16.223 13.374 -8.185 608 2HD1 LEU 78 2HD1 LEU 78 16.887 14.792 -7.371 609 3HD1 LEU 78 3HD1 LEU 78 17.128 14.578 -9.104 610 1HD2 LEU 78 1HD2 LEU 78 14.274 13.728 -9.861 611 2HD2 LEU 78 2HD2 LEU 78 15.280 14.923 -10.682 612 3HD2 LEU 78 3HD2 LEU 78 13.675 15.370 -10.108 613 H SER 79 H SER 79 13.898 13.774 -4.456 614 HA SER 79 HA SER 79 11.780 15.223 -3.074 615 1HB SER 79 2HB SER 79 10.242 13.205 -3.373 616 2HB SER 79 1HB SER 79 10.484 14.199 -4.811 617 HG SER 79 HG SER 79 11.982 11.854 -4.235 618 HA PRO 80 HA PRO 80 14.607 12.597 -0.533 619 1HB PRO 80 2HB PRO 80 15.239 14.414 1.344 620 2HB PRO 80 1HB PRO 80 15.965 14.449 -0.268 621 1HG PRO 80 2HG PRO 80 13.696 16.079 0.822 622 2HG PRO 80 1HG PRO 80 15.078 16.603 -0.157 623 1HD PRO 80 2HD PRO 80 12.594 16.102 -1.196 624 2HD PRO 80 1HD PRO 80 14.097 15.929 -2.125 625 H VAL 81 H VAL 81 11.596 12.835 -0.298 626 HA VAL 81 HA VAL 81 9.876 12.663 1.221 627 HB VAL 81 HB VAL 81 10.024 10.540 2.485 628 1HG1 VAL 81 1HG1 VAL 81 11.095 10.390 -0.337 629 2HG1 VAL 81 2HG1 VAL 81 9.398 10.521 0.129 630 3HG1 VAL 81 3HG1 VAL 81 10.317 9.074 0.544 631 1HG2 VAL 81 1HG2 VAL 81 12.360 10.640 3.195 632 2HG2 VAL 81 2HG2 VAL 81 12.890 10.469 1.523 633 3HG2 VAL 81 3HG2 VAL 81 12.040 9.144 2.316 634 H ASN 82 H ASN 82 10.396 11.391 3.995 635 HA ASN 82 HA ASN 82 11.544 13.715 5.361 636 1HB ASN 82 2HB ASN 82 8.762 12.639 5.896 637 2HB ASN 82 1HB ASN 82 9.611 13.748 6.967 638 1HD2 ASN 82 1HD2 ASN 82 7.931 13.394 3.955 639 2HD2 ASN 82 2HD2 ASN 82 7.817 15.075 3.586 640 H ILE 83 H ILE 83 9.595 11.081 6.683 641 HA ILE 83 HA ILE 83 9.897 10.004 8.648 642 HB ILE 83 HB ILE 83 11.521 8.117 8.520 643 1HG1 ILE 83 2HG1 ILE 83 13.095 9.503 6.902 644 2HG1 ILE 83 1HG1 ILE 83 12.978 7.757 6.760 645 1HG2 ILE 83 1HG2 ILE 83 10.333 6.982 6.697 646 2HG2 ILE 83 2HG2 ILE 83 9.689 8.536 6.163 647 3HG2 ILE 83 3HG2 ILE 83 9.249 7.895 7.746 648 1HD1 ILE 83 1HD1 ILE 83 11.451 7.990 4.897 649 2HD1 ILE 83 2HD1 ILE 83 12.947 8.875 4.598 650 3HD1 ILE 83 3HD1 ILE 83 11.488 9.746 5.068 651 H ASP 84 H ASP 84 13.406 10.341 7.922 652 HA ASP 84 HA ASP 84 13.825 12.008 10.206 653 1HB ASP 84 2HB ASP 84 15.100 10.442 11.579 654 2HB ASP 84 1HB ASP 84 13.468 9.832 11.341 655 H ARG 85 H ARG 85 15.507 9.549 8.251 656 HA ARG 85 HA ARG 85 17.413 9.544 7.053 657 1HB ARG 85 2HB ARG 85 17.123 12.558 6.964 658 2HB ARG 85 1HB ARG 85 18.131 11.576 5.907 659 1HG ARG 85 2HG ARG 85 15.983 10.423 5.173 660 2HG ARG 85 1HG ARG 85 15.127 11.722 6.005 661 1HD ARG 85 2HD ARG 85 16.985 11.930 3.641 662 2HD ARG 85 1HD ARG 85 15.277 12.355 3.718 663 HE ARG 85 HE ARG 85 17.440 13.854 5.065 664 1HH1 ARG 85 1HH1 ARG 85 14.294 13.759 3.509 665 2HH1 ARG 85 2HH1 ARG 85 14.085 15.479 3.559 666 1HH2 ARG 85 1HH2 ARG 85 17.183 16.111 5.084 667 2HH2 ARG 85 2HH2 ARG 85 15.724 16.818 4.452 668 H GLN 86 H GLN 86 17.329 10.300 10.092 669 HA GLN 86 HA GLN 86 20.176 11.076 10.295 670 1HB GLN 86 2HB GLN 86 17.949 11.522 12.300 671 2HB GLN 86 1HB GLN 86 19.647 11.881 12.592 672 1HG GLN 86 2HG GLN 86 19.538 13.446 10.617 673 2HG GLN 86 1HG GLN 86 17.790 13.206 10.628 674 1HE2 GLN 86 1HE2 GLN 86 16.578 14.024 12.363 675 2HE2 GLN 86 2HE2 GLN 86 17.211 15.232 13.426 676 H ALA 87 H ALA 87 17.613 9.074 11.688 677 HA ALA 87 HA ALA 87 19.538 7.336 13.020 678 1HB ALA 87 1HB ALA 87 16.524 7.155 12.799 679 2HB ALA 87 2HB ALA 87 17.424 7.843 14.151 680 3HB ALA 87 3HB ALA 87 17.546 6.120 13.798 681 H TRP 88 H TRP 88 18.694 7.814 9.990 682 HA TRP 88 HA TRP 88 17.912 5.381 8.877 683 1HB TRP 88 2HB TRP 88 17.984 7.713 7.831 684 2HB TRP 88 1HB TRP 88 19.697 7.433 7.549 685 HD1 TRP 88 HD TRP 88 16.361 5.640 6.709 686 HE1 TRP 88 1HE TRP 88 16.550 4.669 4.341 687 HE3 TRP 88 3HE TRP 88 21.169 7.017 5.667 688 HZ2 TRP 88 2HZ TRP 88 18.485 4.520 2.296 689 HZ3 TRP 88 3HZ TRP 88 22.112 6.418 3.469 690 HH2 TRP 88 HH TRP 88 20.793 5.197 1.826 691 H LEU 89 H LEU 89 19.358 4.125 7.296 692 HA LEU 89 HA LEU 89 21.271 2.685 8.707 693 1HB LEU 89 2HB LEU 89 20.889 2.966 5.718 694 2HB LEU 89 1HB LEU 89 21.999 1.820 6.443 695 HG LEU 89 HG LEU 89 20.010 0.794 7.629 696 1HD1 LEU 89 1HD1 LEU 89 17.789 1.206 6.685 697 2HD1 LEU 89 2HD1 LEU 89 18.450 2.507 5.693 698 3HD1 LEU 89 3HD1 LEU 89 18.448 2.651 7.451 699 1HD2 LEU 89 1HD2 LEU 89 19.287 -0.467 5.658 700 2HD2 LEU 89 2HD2 LEU 89 21.034 -0.233 5.670 701 3HD2 LEU 89 3HD2 LEU 89 20.022 0.747 4.609 702 H GLY 90 H GLY 90 21.933 4.850 5.960 703 1HA GLY 90 2HA GLY 90 23.537 6.702 6.439 704 2HA GLY 90 1HA GLY 90 24.556 5.471 7.172 705 H GLU 91 H GLU 91 25.802 6.836 5.401 706 HA GLU 91 HA GLU 91 25.620 6.302 2.690 707 1HB GLU 91 2HB GLU 91 28.226 6.635 4.186 708 2HB GLU 91 1HB GLU 91 27.884 7.074 2.518 709 1HG GLU 91 2HG GLU 91 26.737 8.389 4.977 710 2HG GLU 91 1HG GLU 91 28.008 9.038 3.945 711 H GLU 92 H GLU 92 26.324 4.082 5.134 712 HA GLU 92 HA GLU 92 28.273 2.468 3.865 713 1HB GLU 92 2HB GLU 92 27.646 0.772 5.567 714 2HB GLU 92 1HB GLU 92 27.973 2.353 6.264 715 1HG GLU 92 2HG GLU 92 25.562 2.776 6.431 716 2HG GLU 92 1HG GLU 92 25.240 1.181 5.748 717 H VAL 93 H VAL 93 24.784 2.631 3.693 718 HA VAL 93 HA VAL 93 24.374 -0.008 2.746 719 HB VAL 93 HB VAL 93 22.590 1.380 3.798 720 1HG1 VAL 93 1HG1 VAL 93 22.530 2.803 1.135 721 2HG1 VAL 93 2HG1 VAL 93 23.046 3.496 2.673 722 3HG1 VAL 93 3HG1 VAL 93 21.367 3.006 2.447 723 1HG2 VAL 93 1HG2 VAL 93 21.916 0.288 1.059 724 2HG2 VAL 93 2HG2 VAL 93 20.764 0.595 2.360 725 3HG2 VAL 93 3HG2 VAL 93 22.008 -0.639 2.558 726 H LEU 94 H LEU 94 25.428 2.881 1.218 727 HA LEU 94 HA LEU 94 24.653 2.301 -1.450 728 1HB LEU 94 2HB LEU 94 26.817 4.051 -0.284 729 2HB LEU 94 1HB LEU 94 26.600 3.882 -2.014 730 HG LEU 94 HG LEU 94 25.546 5.918 -1.296 731 1HD1 LEU 94 1HD1 LEU 94 23.452 3.831 -1.884 732 2HD1 LEU 94 2HD1 LEU 94 24.431 4.691 -3.072 733 3HD1 LEU 94 3HD1 LEU 94 23.270 5.574 -2.084 734 1HD2 LEU 94 1HD2 LEU 94 23.946 4.239 0.636 735 2HD2 LEU 94 2HD2 LEU 94 23.687 5.952 0.306 736 3HD2 LEU 94 3HD2 LEU 94 25.192 5.416 1.052 737 H ALA 95 H ALA 95 27.210 1.197 0.593 738 HA ALA 95 HA ALA 95 28.561 -0.133 -1.663 739 1HB ALA 95 1HB ALA 95 30.472 -0.399 -0.164 740 2HB ALA 95 2HB ALA 95 29.556 0.333 1.154 741 3HB ALA 95 3HB ALA 95 29.987 1.294 -0.260 742 H GLU 96 H GLU 96 26.852 -0.664 1.330 743 HA GLU 96 HA GLU 96 27.092 -3.585 0.971 744 1HB GLU 96 2HB GLU 96 26.523 -2.085 3.541 745 2HB GLU 96 1HB GLU 96 26.749 -3.821 3.369 746 1HG GLU 96 2HG GLU 96 29.078 -3.461 2.723 747 2HG GLU 96 1HG GLU 96 28.851 -1.716 2.867 748 HA PRO 97 HA PRO 97 22.661 -2.555 0.385 749 1HB PRO 97 2HB PRO 97 22.229 -3.882 -1.879 750 2HB PRO 97 1HB PRO 97 23.143 -2.366 -1.885 751 1HG PRO 97 2HG PRO 97 24.153 -5.186 -2.018 752 2HG PRO 97 1HG PRO 97 24.699 -3.757 -2.917 753 1HD PRO 97 2HD PRO 97 25.917 -4.767 -0.626 754 2HD PRO 97 1HD PRO 97 26.113 -3.114 -1.242 755 H ARG 98 H ARG 98 20.731 -3.954 0.198 756 HA ARG 98 HA ARG 98 20.912 -6.773 0.613 757 1HB ARG 98 2HB ARG 98 20.020 -6.835 2.894 758 2HB ARG 98 1HB ARG 98 21.566 -6.000 2.863 759 1HG ARG 98 2HG ARG 98 20.232 -3.838 2.781 760 2HG ARG 98 1HG ARG 98 18.820 -4.816 3.173 761 1HD ARG 98 2HD ARG 98 21.335 -4.554 4.827 762 2HD ARG 98 1HD ARG 98 19.760 -3.850 5.194 763 HE ARG 98 HE ARG 98 18.928 -6.178 5.389 764 1HH1 ARG 98 1HH1 ARG 98 22.349 -5.529 5.784 765 2HH1 ARG 98 2HH1 ARG 98 22.632 -6.928 6.767 766 1HH2 ARG 98 1HH2 ARG 98 19.304 -8.025 6.686 767 2HH2 ARG 98 2HH2 ARG 98 20.906 -8.355 7.267 768 HA PRO 99 HA PRO 99 17.033 -6.628 -1.296 769 1HB PRO 99 2HB PRO 99 15.534 -8.509 0.079 770 2HB PRO 99 1HB PRO 99 16.742 -8.885 -1.154 771 1HG PRO 99 2HG PRO 99 17.015 -8.893 1.832 772 2HG PRO 99 1HG PRO 99 17.629 -10.063 0.646 773 1HD PRO 99 2HD PRO 99 19.248 -8.232 1.731 774 2HD PRO 99 1HD PRO 99 19.406 -8.689 0.021 775 H ASP 100 H ASP 100 16.965 -6.197 2.183 776 HA ASP 100 HA ASP 100 14.247 -5.090 2.069 777 1HB ASP 100 2HB ASP 100 14.334 -5.088 4.519 778 2HB ASP 100 1HB ASP 100 14.737 -6.677 3.880 779 H MET 101 H MET 101 17.540 -4.186 2.402 780 HA MET 101 HA MET 101 18.608 -2.263 2.996 781 1HB MET 101 2HB MET 101 17.997 -0.440 1.230 782 2HB MET 101 1HB MET 101 18.730 -1.954 0.735 783 1HG MET 101 2HG MET 101 17.081 -1.631 -0.845 784 2HG MET 101 1HG MET 101 16.315 -2.736 0.291 785 1HE MET 101 1HE MET 101 13.893 -2.213 -0.614 786 2HE MET 101 2HE MET 101 14.609 -1.164 -1.838 787 3HE MET 101 3HE MET 101 13.270 -0.580 -0.850 788 H PHE 102 H PHE 102 15.540 -0.638 2.174 789 HA PHE 102 HA PHE 102 16.039 1.095 4.492 790 1HB PHE 102 2HB PHE 102 14.214 1.695 2.153 791 2HB PHE 102 1HB PHE 102 14.899 2.832 3.311 792 HD1 PHE 102 1HD PHE 102 17.754 1.801 3.272 793 HD2 PHE 102 2HD PHE 102 14.993 2.635 0.133 794 HE1 PHE 102 1HE PHE 102 19.627 2.212 1.733 795 HE2 PHE 102 2HE PHE 102 16.868 3.049 -1.403 796 HZ PHE 102 HZ PHE 102 19.185 2.834 -0.607 797 H ARG 103 H ARG 103 14.669 -1.531 4.417 798 HA ARG 103 HA ARG 103 12.003 -1.705 4.532 799 1HB ARG 103 2HB ARG 103 13.221 -3.638 4.989 800 2HB ARG 103 1HB ARG 103 14.144 -2.877 6.274 801 1HG ARG 103 2HG ARG 103 12.190 -2.930 7.733 802 2HG ARG 103 1HG ARG 103 11.232 -3.654 6.436 803 1HD ARG 103 2HD ARG 103 12.288 -5.194 8.256 804 2HD ARG 103 1HD ARG 103 12.349 -5.684 6.563 805 HE ARG 103 HE ARG 103 14.662 -4.806 6.531 806 1HH1 ARG 103 1HH1 ARG 103 13.266 -5.663 9.633 807 2HH1 ARG 103 2HH1 ARG 103 14.808 -5.957 10.372 808 1HH2 ARG 103 1HH2 ARG 103 16.654 -5.181 7.478 809 2HH2 ARG 103 2HH2 ARG 103 16.750 -5.677 9.144 810 H ALA 104 H ALA 104 13.960 -0.323 7.176 811 HA ALA 104 HA ALA 104 11.908 0.007 9.048 812 1HB ALA 104 1HB ALA 104 13.359 1.652 10.126 813 2HB ALA 104 2HB ALA 104 14.356 1.741 8.672 814 3HB ALA 104 3HB ALA 104 14.284 0.244 9.602 815 H GLN 105 H GLN 105 13.197 2.365 6.720 816 HA GLN 105 HA GLN 105 11.269 4.369 7.321 817 1HB GLN 105 2HB GLN 105 13.263 4.012 5.086 818 2HB GLN 105 1HB GLN 105 12.141 5.367 5.109 819 1HG GLN 105 2HG GLN 105 14.286 6.026 6.010 820 2HG GLN 105 1HG GLN 105 13.046 6.091 7.260 821 1HE2 GLN 105 1HE2 GLN 105 14.508 5.954 8.929 822 2HE2 GLN 105 2HE2 GLN 105 15.374 4.500 9.292 823 H GLN 106 H GLN 106 11.525 1.852 4.892 824 HA GLN 106 HA GLN 106 9.492 2.624 3.157 825 1HB GLN 106 2HB GLN 106 11.053 0.851 2.604 826 2HB GLN 106 1HB GLN 106 10.461 -0.141 3.925 827 1HG GLN 106 2HG GLN 106 8.453 0.672 1.912 828 2HG GLN 106 1HG GLN 106 9.703 -0.439 1.363 829 1HE2 GLN 106 1HE2 GLN 106 9.831 -2.496 2.278 830 2HE2 GLN 106 2HE2 GLN 106 8.507 -3.198 3.139 831 H LEU 107 H LEU 107 9.335 0.498 6.007 832 HA LEU 107 HA LEU 107 6.510 0.136 5.805 833 1HB LEU 107 2HB LEU 107 8.131 -1.451 6.926 834 2HB LEU 107 1HB LEU 107 8.236 -0.301 8.249 835 HG LEU 107 HG LEU 107 5.753 -0.548 8.558 836 1HD1 LEU 107 1HD1 LEU 107 5.178 -1.358 6.342 837 2HD1 LEU 107 2HD1 LEU 107 4.646 -2.492 7.581 838 3HD1 LEU 107 3HD1 LEU 107 6.090 -2.839 6.628 839 1HD2 LEU 107 1HD2 LEU 107 5.907 -2.698 9.718 840 2HD2 LEU 107 2HD2 LEU 107 7.351 -1.723 9.993 841 3HD2 LEU 107 3HD2 LEU 107 7.399 -3.066 8.850 842 H GLN 108 H GLN 108 8.578 2.525 7.237 843 HA GLN 108 HA GLN 108 6.702 3.613 9.068 844 1HB GLN 108 2HB GLN 108 9.123 4.086 9.203 845 2HB GLN 108 1HB GLN 108 9.036 4.987 7.696 846 1HG GLN 108 2HG GLN 108 9.100 6.459 9.640 847 2HG GLN 108 1HG GLN 108 7.606 6.647 8.727 848 1HE2 GLN 108 1HE2 GLN 108 8.197 3.951 10.908 849 2HE2 GLN 108 2HE2 GLN 108 7.028 4.428 12.091 850 H ILE 109 H ILE 109 7.469 4.300 5.671 851 HA ILE 109 HA ILE 109 5.623 6.385 5.269 852 HB ILE 109 HB ILE 109 6.921 4.389 3.446 853 1HG1 ILE 109 2HG1 ILE 109 7.673 6.462 2.287 854 2HG1 ILE 109 1HG1 ILE 109 6.772 7.422 3.453 855 1HG2 ILE 109 1HG2 ILE 109 4.650 4.411 2.592 856 2HG2 ILE 109 2HG2 ILE 109 5.715 5.281 1.489 857 3HG2 ILE 109 3HG2 ILE 109 4.646 6.175 2.571 858 1HD1 ILE 109 1HD1 ILE 109 9.116 7.400 3.996 859 2HD1 ILE 109 2HD1 ILE 109 9.121 5.638 4.041 860 3HD1 ILE 109 3HD1 ILE 109 8.206 6.548 5.243 861 H PHE 110 H PHE 110 5.270 2.867 4.933 862 HA PHE 110 HA PHE 110 2.610 2.738 4.140 863 1HB PHE 110 2HB PHE 110 4.172 0.790 4.286 864 2HB PHE 110 1HB PHE 110 4.026 0.832 6.036 865 HD1 PHE 110 1HD PHE 110 2.629 -0.373 2.973 866 HD2 PHE 110 2HD PHE 110 1.707 0.414 7.063 867 HE1 PHE 110 1HE PHE 110 0.668 -1.844 2.816 868 HE2 PHE 110 2HE PHE 110 -0.251 -1.059 6.903 869 HZ PHE 110 HZ PHE 110 -0.776 -2.187 4.778 870 H ASN 111 H ASN 111 3.915 2.600 7.437 871 HA ASN 111 HA ASN 111 1.429 2.513 8.749 872 1HB ASN 111 2HB ASN 111 4.203 3.246 9.697 873 2HB ASN 111 1HB ASN 111 2.816 3.202 10.782 874 1HD2 ASN 111 1HD2 ASN 111 5.286 1.573 10.666 875 2HD2 ASN 111 2HD2 ASN 111 4.745 -0.065 10.605 876 H LEU 112 H LEU 112 3.389 5.196 7.650 877 HA LEU 112 HA LEU 112 2.171 7.220 9.209 878 1HB LEU 112 2HB LEU 112 4.362 7.307 7.874 879 2HB LEU 112 1HB LEU 112 3.372 7.614 6.464 880 HG LEU 112 HG LEU 112 3.361 9.393 8.917 881 1HD1 LEU 112 1HD1 LEU 112 5.602 9.348 7.940 882 2HD1 LEU 112 2HD1 LEU 112 4.819 10.904 7.676 883 3HD1 LEU 112 3HD1 LEU 112 4.927 9.739 6.357 884 1HD2 LEU 112 1HD2 LEU 112 2.379 11.050 7.388 885 2HD2 LEU 112 2HD2 LEU 112 1.369 9.614 7.531 886 3HD2 LEU 112 3HD2 LEU 112 2.367 9.848 6.097 887 H MET 113 H MET 113 1.688 6.359 5.770 888 HA MET 113 HA MET 113 -0.568 8.091 5.480 889 1HB MET 113 2HB MET 113 -0.035 5.765 3.643 890 2HB MET 113 1HB MET 113 -0.708 7.339 3.258 891 1HG MET 113 2HG MET 113 2.163 6.808 4.004 892 2HG MET 113 1HG MET 113 1.553 7.052 2.369 893 1HE MET 113 1HE MET 113 0.888 9.382 1.358 894 2HE MET 113 2HE MET 113 0.538 10.797 2.352 895 3HE MET 113 3HE MET 113 -0.460 9.350 2.496 896 H LYS 114 H LYS 114 -0.107 4.855 6.532 897 HA LYS 114 HA LYS 114 -2.411 3.500 5.961 898 1HB LYS 114 2HB LYS 114 -0.403 2.646 7.200 899 2HB LYS 114 1HB LYS 114 -0.998 3.457 8.638 900 1HG LYS 114 2HG LYS 114 -2.946 2.033 8.693 901 2HG LYS 114 1HG LYS 114 -2.482 1.286 7.161 902 1HD LYS 114 2HD LYS 114 -1.857 -0.184 8.982 903 2HD LYS 114 1HD LYS 114 -0.401 0.462 8.232 904 1HE LYS 114 2HE LYS 114 -0.195 2.109 10.032 905 2HE LYS 114 1HE LYS 114 -1.667 1.490 10.778 906 1HZ LYS 114 1HZ LYS 114 0.274 0.593 11.859 907 2HZ LYS 114 2HZ LYS 114 0.863 -0.020 10.396 908 3HZ LYS 114 3HZ LYS 114 -0.557 -0.650 11.065 909 H PHE 115 H PHE 115 -1.892 5.685 8.724 910 HA PHE 115 HA PHE 115 -4.818 6.017 8.884 911 1HB PHE 115 2HB PHE 115 -2.802 5.878 11.130 912 2HB PHE 115 1HB PHE 115 -4.390 6.609 11.347 913 HD1 PHE 115 1HD PHE 115 -6.428 5.234 11.160 914 HD2 PHE 115 2HD PHE 115 -2.543 3.496 11.003 915 HE1 PHE 115 1HE PHE 115 -7.407 3.019 11.593 916 HE2 PHE 115 2HE PHE 115 -3.517 1.279 11.437 917 HZ PHE 115 HZ PHE 115 -5.951 1.039 11.731 918 H ASP 116 H ASP 116 -3.656 7.518 7.128 919 HA ASP 116 HA ASP 116 -4.054 10.164 8.264 920 1HB ASP 116 2HB ASP 116 -1.623 9.954 8.388 921 2HB ASP 116 1HB ASP 116 -1.551 9.448 6.703 922 H SER 117 H SER 117 -2.615 9.297 5.156 923 HA SER 117 HA SER 117 -4.612 10.748 3.730 924 1HB SER 117 2HB SER 117 -2.260 10.610 2.972 925 2HB SER 117 1HB SER 117 -2.462 8.884 2.682 926 HG SER 117 HG SER 117 -3.835 11.002 1.379 927 H TYR 118 H TYR 118 -3.825 7.283 4.067 928 HA TYR 118 HA TYR 118 -5.779 6.209 2.418 929 1HB TYR 118 2HB TYR 118 -4.143 4.745 3.332 930 2HB TYR 118 1HB TYR 118 -4.555 5.190 4.983 931 HD1 TYR 118 1HD TYR 118 -5.943 3.787 6.215 932 HD2 TYR 118 2HD TYR 118 -6.063 3.558 1.963 933 HE1 TYR 118 1HE TYR 118 -7.454 1.862 6.371 934 HE2 TYR 118 2HE TYR 118 -7.578 1.626 2.111 935 HH TYR 118 HH TYR 118 -8.253 -0.072 3.635 936 H ALA 119 H ALA 119 -6.037 6.982 5.877 937 HA ALA 119 HA ALA 119 -8.652 6.134 6.303 938 1HB ALA 119 1HB ALA 119 -8.637 7.599 8.264 939 2HB ALA 119 2HB ALA 119 -7.200 8.418 7.647 940 3HB ALA 119 3HB ALA 119 -7.116 6.719 8.113 941 H ARG 120 H ARG 120 -7.427 9.215 5.101 942 HA ARG 120 HA ARG 120 -9.949 10.549 5.109 943 1HB ARG 120 2HB ARG 120 -7.812 11.764 5.199 944 2HB ARG 120 1HB ARG 120 -7.400 11.178 3.594 945 1HG ARG 120 2HG ARG 120 -9.271 12.419 2.641 946 2HG ARG 120 1HG ARG 120 -9.734 12.975 4.251 947 1HD ARG 120 2HD ARG 120 -7.544 14.100 4.464 948 2HD ARG 120 1HD ARG 120 -7.143 13.587 2.823 949 HE ARG 120 HE ARG 120 -9.484 14.915 2.507 950 1HH1 ARG 120 1HH1 ARG 120 -6.439 15.753 4.014 951 2HH1 ARG 120 2HH1 ARG 120 -6.593 17.448 3.692 952 1HH2 ARG 120 1HH2 ARG 120 -9.705 17.134 2.076 953 2HH2 ARG 120 2HH2 ARG 120 -8.468 18.241 2.584 954 H PHE 121 H PHE 121 -8.043 8.871 2.655 955 HA PHE 121 HA PHE 121 -9.468 9.674 0.400 956 1HB PHE 121 2HB PHE 121 -7.264 8.639 0.251 957 2HB PHE 121 1HB PHE 121 -7.907 7.122 0.871 958 HD1 PHE 121 1HD PHE 121 -8.280 9.520 -1.959 959 HD2 PHE 121 2HD PHE 121 -8.659 5.490 -0.619 960 HE1 PHE 121 1HE PHE 121 -8.778 8.802 -4.258 961 HE2 PHE 121 2HE PHE 121 -9.161 4.772 -2.917 962 HZ PHE 121 HZ PHE 121 -9.224 6.427 -4.738 963 H VAL 122 H VAL 122 -9.875 6.758 2.405 964 HA VAL 122 HA VAL 122 -11.920 5.622 0.815 965 HB VAL 122 HB VAL 122 -12.412 4.176 2.763 966 1HG1 VAL 122 1HG1 VAL 122 -10.234 3.072 2.869 967 2HG1 VAL 122 2HG1 VAL 122 -9.460 4.513 2.209 968 3HG1 VAL 122 3HG1 VAL 122 -10.600 3.593 1.225 969 1HG2 VAL 122 1HG2 VAL 122 -10.366 5.882 4.198 970 2HG2 VAL 122 2HG2 VAL 122 -11.068 4.386 4.814 971 3HG2 VAL 122 3HG2 VAL 122 -12.091 5.800 4.558 972 H LYS 123 H LYS 123 -11.977 8.214 3.065 973 HA LYS 123 HA LYS 123 -14.894 8.029 3.363 974 1HB LYS 123 2HB LYS 123 -12.866 9.754 4.806 975 2HB LYS 123 1HB LYS 123 -14.601 9.841 5.064 976 1HG LYS 123 2HG LYS 123 -14.447 7.338 5.638 977 2HG LYS 123 1HG LYS 123 -12.710 7.616 5.763 978 1HD LYS 123 2HD LYS 123 -14.849 9.074 7.329 979 2HD LYS 123 1HD LYS 123 -13.833 7.772 7.949 980 1HE LYS 123 2HE LYS 123 -12.786 10.407 6.908 981 2HE LYS 123 1HE LYS 123 -13.087 10.058 8.609 982 1HZ LYS 123 1HZ LYS 123 -10.767 9.747 8.029 983 2HZ LYS 123 2HZ LYS 123 -11.187 8.598 6.864 984 3HZ LYS 123 3HZ LYS 123 -11.464 8.281 8.497 985 H SER 124 H SER 124 -12.587 9.528 1.432 986 HA SER 124 HA SER 124 -13.946 12.042 1.058 987 1HB SER 124 2HB SER 124 -11.706 10.735 -0.518 988 2HB SER 124 1HB SER 124 -12.284 12.385 -0.759 989 HG SER 124 HG SER 124 -11.463 11.531 1.793 990 HA PRO 125 HA PRO 125 -16.974 10.869 -1.961 991 1HB PRO 125 2HB PRO 125 -16.219 13.376 -3.392 992 2HB PRO 125 1HB PRO 125 -17.804 12.839 -2.817 993 1HG PRO 125 2HG PRO 125 -16.476 14.758 -1.531 994 2HG PRO 125 1HG PRO 125 -17.391 13.531 -0.634 995 1HD PRO 125 2HD PRO 125 -14.433 13.734 -1.089 996 2HD PRO 125 1HD PRO 125 -15.318 13.254 0.376 997 H LEU 126 H LEU 126 -15.923 9.124 -2.840 998 HA LEU 126 HA LEU 126 -15.335 9.115 -5.541 999 1HB LEU 126 2HB LEU 126 -13.261 10.335 -4.768 1000 2HB LEU 126 1HB LEU 126 -12.810 8.901 -3.871 1001 HG LEU 126 HG LEU 126 -13.271 8.725 -6.841 1002 1HD1 LEU 126 1HD1 LEU 126 -11.736 10.600 -6.540 1003 2HD1 LEU 126 2HD1 LEU 126 -10.904 9.207 -7.227 1004 3HD1 LEU 126 3HD1 LEU 126 -10.700 9.603 -5.520 1005 1HD2 LEU 126 1HD2 LEU 126 -12.981 6.628 -5.642 1006 2HD2 LEU 126 2HD2 LEU 126 -11.479 7.216 -4.930 1007 3HD2 LEU 126 3HD2 LEU 126 -11.580 6.938 -6.669 1008 H TYR 127 H TYR 127 -14.265 7.640 -2.485 1009 HA TYR 127 HA TYR 127 -14.142 5.002 -3.559 1010 1HB TYR 127 2HB TYR 127 -12.808 5.741 -1.597 1011 2HB TYR 127 1HB TYR 127 -14.292 5.854 -0.655 1012 HD1 TYR 127 1HD TYR 127 -14.664 4.059 0.797 1013 HD2 TYR 127 2HD TYR 127 -12.643 3.342 -2.881 1014 HE1 TYR 127 1HE TYR 127 -14.434 1.681 1.386 1015 HE2 TYR 127 2HE TYR 127 -12.411 0.968 -2.299 1016 HH TYR 127 HH TYR 127 -14.108 -0.491 0.224 1017 H ARG 128 H ARG 128 -16.418 6.560 -1.296 1018 HA ARG 128 HA ARG 128 -18.178 4.384 -1.037 1019 1HB ARG 128 2HB ARG 128 -18.885 7.330 -0.877 1020 2HB ARG 128 1HB ARG 128 -19.796 6.001 -0.175 1021 1HG ARG 128 2HG ARG 128 -17.031 6.894 0.636 1022 2HG ARG 128 1HG ARG 128 -18.529 7.180 1.525 1023 1HD ARG 128 2HD ARG 128 -17.278 4.491 0.947 1024 2HD ARG 128 1HD ARG 128 -17.276 5.330 2.499 1025 HE ARG 128 HE ARG 128 -19.853 4.642 1.276 1026 1HH1 ARG 128 1HH1 ARG 128 -17.506 4.152 3.826 1027 2HH1 ARG 128 2HH1 ARG 128 -18.567 3.171 4.785 1028 1HH2 ARG 128 1HH2 ARG 128 -21.246 3.362 2.530 1029 2HH2 ARG 128 2HH2 ARG 128 -20.693 2.707 4.038 1030 H GLU 129 H GLU 129 -17.873 6.887 -3.416 1031 HA GLU 129 HA GLU 129 -20.363 6.515 -4.725 1032 1HB GLU 129 2HB GLU 129 -17.760 7.811 -5.560 1033 2HB GLU 129 1HB GLU 129 -19.176 7.779 -6.601 1034 1HG GLU 129 2HG GLU 129 -18.930 9.903 -5.394 1035 2HG GLU 129 1HG GLU 129 -20.441 9.083 -5.022 1036 H CYS 130 H CYS 130 -17.042 5.407 -5.465 1037 HA CYS 130 HA CYS 130 -17.718 3.935 -7.766 1038 1HB CYS 130 2HB CYS 130 -15.426 3.595 -5.819 1039 2HB CYS 130 1HB CYS 130 -15.556 2.720 -7.342 1040 HG CYS 130 HG CYS 130 -14.802 5.975 -6.803 1041 H LEU 131 H LEU 131 -17.988 3.196 -4.382 1042 HA LEU 131 HA LEU 131 -18.564 0.383 -4.852 1043 1HB LEU 131 2HB LEU 131 -18.233 2.124 -2.448 1044 2HB LEU 131 1HB LEU 131 -19.164 0.651 -2.271 1045 HG LEU 131 HG LEU 131 -17.216 -0.660 -3.062 1046 1HD1 LEU 131 1HD1 LEU 131 -16.132 1.037 -4.432 1047 2HD1 LEU 131 2HD1 LEU 131 -15.021 0.386 -3.227 1048 3HD1 LEU 131 3HD1 LEU 131 -15.750 1.974 -2.986 1049 1HD2 LEU 131 1HD2 LEU 131 -15.861 -0.400 -1.041 1050 2HD2 LEU 131 2HD2 LEU 131 -17.584 -0.351 -0.675 1051 3HD2 LEU 131 3HD2 LEU 131 -16.647 1.144 -0.709 1052 H LEU 132 H LEU 132 -20.275 3.368 -4.454 1053 HA LEU 132 HA LEU 132 -22.462 3.949 -4.352 1054 1HB LEU 132 2HB LEU 132 -22.825 1.173 -5.496 1055 2HB LEU 132 1HB LEU 132 -24.143 2.310 -5.288 1056 HG LEU 132 HG LEU 132 -21.735 2.722 -7.074 1057 1HD1 LEU 132 1HD1 LEU 132 -23.324 2.480 -8.914 1058 2HD1 LEU 132 2HD1 LEU 132 -24.618 2.140 -7.765 1059 3HD1 LEU 132 3HD1 LEU 132 -23.266 1.019 -7.930 1060 1HD2 LEU 132 1HD2 LEU 132 -24.192 4.437 -6.668 1061 2HD2 LEU 132 2HD2 LEU 132 -22.934 4.706 -7.878 1062 3HD2 LEU 132 3HD2 LEU 132 -22.548 4.833 -6.162 1063 H ALA 133 H ALA 133 -21.100 2.552 -2.115 1064 HA ALA 133 HA ALA 133 -23.288 1.164 -0.756 1065 1HB ALA 133 1HB ALA 133 -21.579 0.434 0.846 1066 2HB ALA 133 2HB ALA 133 -20.366 1.391 -0.005 1067 3HB ALA 133 3HB ALA 133 -21.122 0.016 -0.806 1068 H GLU 134 H GLU 134 -24.597 2.624 0.108 1069 HA GLU 134 HA GLU 134 -25.432 4.264 1.423 1070 1HB GLU 134 2HB GLU 134 -24.233 3.068 3.216 1071 2HB GLU 134 1HB GLU 134 -22.787 4.012 2.886 1072 1HG GLU 134 2HG GLU 134 -23.927 6.048 3.572 1073 2HG GLU 134 1HG GLU 134 -25.416 5.141 3.838 1074 H ALA 135 H ALA 135 -25.262 5.510 -0.526 1075 HA ALA 135 HA ALA 135 -24.228 8.087 -0.212 1076 1HB ALA 135 1HB ALA 135 -22.450 8.120 -1.910 1077 2HB ALA 135 2HB ALA 135 -22.592 6.372 -2.099 1078 3HB ALA 135 3HB ALA 135 -22.030 7.050 -0.572 1079 H GLU 136 H GLU 136 -25.064 5.521 -2.472 1080 HA GLU 136 HA GLU 136 -27.122 7.126 -3.681 1081 1HB GLU 136 2HB GLU 136 -25.123 7.864 -4.945 1082 2HB GLU 136 1HB GLU 136 -24.790 6.194 -5.384 1083 1HG GLU 136 2HG GLU 136 -25.866 7.472 -7.193 1084 2HG GLU 136 1HG GLU 136 -26.814 6.074 -6.683 Start of MODEL 13 1 1H SER 1 1HT SER 1 -15.373 7.710 -20.139 2 2H SER 1 2HT SER 1 -14.513 7.468 -21.571 3 3H SER 1 3HT SER 1 -14.023 8.664 -20.484 4 HA SER 1 HA SER 1 -12.589 6.748 -20.350 5 1HB SER 1 2HB SER 1 -14.367 7.030 -17.905 6 2HB SER 1 1HB SER 1 -12.688 6.488 -17.927 7 HG SER 1 HG SER 1 -13.234 8.824 -17.424 8 H MET 2 H MET 2 -12.322 4.514 -19.932 9 HA MET 2 HA MET 2 -14.374 2.856 -20.992 10 1HB MET 2 2HB MET 2 -11.780 2.545 -20.984 11 2HB MET 2 1HB MET 2 -12.032 1.806 -19.410 12 1HG MET 2 2HG MET 2 -13.309 0.882 -21.981 13 2HG MET 2 1HG MET 2 -11.875 0.172 -21.245 14 1HE MET 2 1HE MET 2 -14.694 -2.531 -20.708 15 2HE MET 2 2HE MET 2 -13.100 -2.219 -21.396 16 3HE MET 2 3HE MET 2 -14.526 -1.445 -22.088 17 H THR 3 H THR 3 -13.410 3.802 -17.806 18 HA THR 3 HA THR 3 -14.567 3.834 -15.861 19 HB THR 3 HB THR 3 -16.697 2.144 -17.201 20 HG1 THR 3 1HG THR 3 -16.336 4.239 -18.194 21 1HG2 THR 3 1HG2 THR 3 -16.791 2.090 -14.746 22 2HG2 THR 3 2HG2 THR 3 -18.152 2.989 -15.415 23 3HG2 THR 3 3HG2 THR 3 -16.788 3.854 -14.704 24 H GLU 4 H GLU 4 -13.086 2.741 -14.705 25 HA GLU 4 HA GLU 4 -12.937 -0.149 -14.744 26 1HB GLU 4 2HB GLU 4 -11.607 1.790 -12.876 27 2HB GLU 4 1HB GLU 4 -11.196 0.102 -13.092 28 1HG GLU 4 2HG GLU 4 -9.539 1.363 -14.228 29 2HG GLU 4 1HG GLU 4 -10.569 0.642 -15.460 30 H GLU 5 H GLU 5 -15.192 -0.225 -14.186 31 HA GLU 5 HA GLU 5 -16.067 0.491 -11.528 32 1HB GLU 5 2HB GLU 5 -18.246 -0.561 -12.317 33 2HB GLU 5 1HB GLU 5 -17.681 0.829 -13.235 34 1HG GLU 5 2HG GLU 5 -16.715 -0.734 -14.906 35 2HG GLU 5 1HG GLU 5 -17.445 -2.069 -14.019 36 H GLN 6 H GLN 6 -14.083 -1.115 -11.016 37 HA GLN 6 HA GLN 6 -14.931 -3.875 -10.713 38 1HB GLN 6 2HB GLN 6 -12.483 -2.375 -9.744 39 2HB GLN 6 1HB GLN 6 -12.764 -4.080 -9.429 40 1HG GLN 6 2HG GLN 6 -12.755 -4.508 -11.856 41 2HG GLN 6 1HG GLN 6 -12.410 -2.800 -12.135 42 1HE2 GLN 6 1HE2 GLN 6 -10.449 -3.303 -13.153 43 2HE2 GLN 6 2HE2 GLN 6 -9.069 -3.829 -12.261 44 HA PRO 7 HA PRO 7 -16.505 -3.451 -6.496 45 1HB PRO 7 2HB PRO 7 -15.233 -6.045 -5.861 46 2HB PRO 7 1HB PRO 7 -16.945 -5.610 -5.856 47 1HG PRO 7 2HG PRO 7 -15.910 -7.231 -7.735 48 2HG PRO 7 1HG PRO 7 -17.212 -6.082 -8.105 49 1HD PRO 7 2HD PRO 7 -14.266 -5.847 -8.651 50 2HD PRO 7 1HD PRO 7 -15.641 -5.432 -9.699 51 H VAL 8 H VAL 8 -14.679 -1.781 -6.501 52 HA VAL 8 HA VAL 8 -12.103 -2.479 -5.512 53 HB VAL 8 HB VAL 8 -11.674 -0.064 -5.458 54 1HG1 VAL 8 1HG1 VAL 8 -13.119 -0.987 -7.949 55 2HG1 VAL 8 2HG1 VAL 8 -11.419 -1.262 -7.563 56 3HG1 VAL 8 3HG1 VAL 8 -12.003 0.377 -7.854 57 1HG2 VAL 8 1HG2 VAL 8 -14.599 0.217 -6.176 58 2HG2 VAL 8 2HG2 VAL 8 -13.413 1.523 -6.174 59 3HG2 VAL 8 3HG2 VAL 8 -13.840 0.719 -4.665 60 H ALA 9 H ALA 9 -15.012 -2.123 -3.906 61 HA ALA 9 HA ALA 9 -14.538 -0.582 -1.670 62 1HB ALA 9 1HB ALA 9 -16.301 -1.851 -0.572 63 2HB ALA 9 2HB ALA 9 -16.151 -3.133 -1.774 64 3HB ALA 9 3HB ALA 9 -16.720 -1.535 -2.256 65 H SER 10 H SER 10 -12.950 -3.504 -2.440 66 HA SER 10 HA SER 10 -12.380 -4.478 0.145 67 1HB SER 10 2HB SER 10 -10.791 -4.756 -2.419 68 2HB SER 10 1HB SER 10 -10.561 -5.729 -0.964 69 HG SER 10 HG SER 10 -12.269 -6.869 -1.450 70 H TRP 11 H TRP 11 -11.324 -1.645 -1.416 71 HA TRP 11 HA TRP 11 -8.688 -1.401 -0.451 72 1HB TRP 11 2HB TRP 11 -10.714 0.765 -1.068 73 2HB TRP 11 1HB TRP 11 -9.003 1.051 -0.778 74 HD1 TRP 11 HD TRP 11 -8.564 -1.842 -2.691 75 HE1 TRP 11 1HE TRP 11 -8.436 -1.399 -5.226 76 HE3 TRP 11 3HE TRP 11 -10.600 2.848 -2.803 77 HZ2 TRP 11 2HZ TRP 11 -9.094 0.667 -7.026 78 HZ3 TRP 11 3HZ TRP 11 -10.814 3.989 -4.971 79 HH2 TRP 11 HH TRP 11 -10.075 2.923 -7.041 80 H ALA 12 H ALA 12 -11.806 -0.457 0.944 81 HA ALA 12 HA ALA 12 -10.736 0.921 3.182 82 1HB ALA 12 1HB ALA 12 -13.006 0.888 4.062 83 2HB ALA 12 2HB ALA 12 -13.469 -0.319 2.862 84 3HB ALA 12 3HB ALA 12 -13.008 1.302 2.347 85 H LEU 13 H LEU 13 -10.673 -2.342 2.500 86 HA LEU 13 HA LEU 13 -11.080 -3.319 5.180 87 1HB LEU 13 2HB LEU 13 -9.876 -4.690 2.768 88 2HB LEU 13 1HB LEU 13 -10.311 -5.478 4.274 89 HG LEU 13 HG LEU 13 -12.228 -4.173 2.329 90 1HD1 LEU 13 1HD1 LEU 13 -13.048 -6.449 1.965 91 2HD1 LEU 13 2HD1 LEU 13 -11.792 -7.077 3.033 92 3HD1 LEU 13 3HD1 LEU 13 -11.350 -6.293 1.517 93 1HD2 LEU 13 1HD2 LEU 13 -12.794 -5.608 4.928 94 2HD2 LEU 13 2HD2 LEU 13 -14.006 -5.058 3.770 95 3HD2 LEU 13 3HD2 LEU 13 -13.005 -3.883 4.620 96 H SER 14 H SER 14 -8.310 -2.579 3.101 97 HA SER 14 HA SER 14 -6.610 -2.257 5.410 98 1HB SER 14 2HB SER 14 -5.971 -4.411 3.373 99 2HB SER 14 1HB SER 14 -4.871 -3.853 4.631 100 HG SER 14 HG SER 14 -7.226 -4.510 5.731 101 H PHE 15 H PHE 15 -4.946 -0.875 5.031 102 HA PHE 15 HA PHE 15 -4.917 0.739 2.734 103 1HB PHE 15 2HB PHE 15 -4.036 1.497 4.906 104 2HB PHE 15 1HB PHE 15 -2.733 0.319 4.797 105 HD1 PHE 15 1HD PHE 15 -4.056 2.588 2.148 106 HD2 PHE 15 2HD PHE 15 -0.800 1.629 4.725 107 HE1 PHE 15 1HE PHE 15 -2.664 4.267 1.012 108 HE2 PHE 15 2HE PHE 15 0.594 3.306 3.587 109 HZ PHE 15 HZ PHE 15 -0.339 4.628 1.730 110 H GLU 16 H GLU 16 -2.997 -2.049 3.685 111 HA GLU 16 HA GLU 16 -1.126 -2.239 1.718 112 1HB GLU 16 2HB GLU 16 -1.297 -3.846 3.543 113 2HB GLU 16 1HB GLU 16 -2.803 -4.473 2.885 114 1HG GLU 16 2HG GLU 16 -1.621 -5.301 0.921 115 2HG GLU 16 1HG GLU 16 -0.110 -4.627 1.531 116 H ARG 17 H ARG 17 -4.508 -3.377 1.509 117 HA ARG 17 HA ARG 17 -4.430 -4.301 -1.124 118 1HB ARG 17 2HB ARG 17 -6.339 -4.829 0.243 119 2HB ARG 17 1HB ARG 17 -6.721 -3.126 0.466 120 1HG ARG 17 2HG ARG 17 -8.255 -4.148 -1.118 121 2HG ARG 17 1HG ARG 17 -7.265 -2.928 -1.917 122 1HD ARG 17 2HD ARG 17 -5.738 -4.874 -2.598 123 2HD ARG 17 1HD ARG 17 -7.069 -5.924 -2.113 124 HE ARG 17 HE ARG 17 -7.489 -3.801 -4.110 125 1HH1 ARG 17 1HH1 ARG 17 -7.526 -7.206 -3.259 126 2HH1 ARG 17 2HH1 ARG 17 -8.271 -7.686 -4.753 127 1HH2 ARG 17 1HH2 ARG 17 -8.464 -4.441 -6.057 128 2HH2 ARG 17 2HH2 ARG 17 -8.818 -6.123 -6.329 129 H LEU 18 H LEU 18 -5.434 -1.094 0.088 130 HA LEU 18 HA LEU 18 -5.903 0.115 -2.396 131 1HB LEU 18 2HB LEU 18 -6.577 1.130 -0.271 132 2HB LEU 18 1HB LEU 18 -4.895 1.352 0.177 133 HG LEU 18 HG LEU 18 -4.680 2.867 -1.856 134 1HD1 LEU 18 1HD1 LEU 18 -6.648 2.130 -3.068 135 2HD1 LEU 18 2HD1 LEU 18 -6.740 3.857 -2.726 136 3HD1 LEU 18 3HD1 LEU 18 -7.690 2.719 -1.770 137 1HD2 LEU 18 1HD2 LEU 18 -5.687 4.798 -0.714 138 2HD2 LEU 18 2HD2 LEU 18 -4.774 3.771 0.390 139 3HD2 LEU 18 3HD2 LEU 18 -6.538 3.701 0.375 140 H LEU 19 H LEU 19 -2.965 -0.543 -0.688 141 HA LEU 19 HA LEU 19 -1.374 1.292 -2.291 142 1HB LEU 19 2HB LEU 19 -1.244 0.939 0.262 143 2HB LEU 19 1HB LEU 19 -0.381 -0.537 -0.114 144 HG LEU 19 HG LEU 19 1.375 0.733 -1.217 145 1HD1 LEU 19 1HD1 LEU 19 0.046 2.583 -2.088 146 2HD1 LEU 19 2HD1 LEU 19 1.398 3.190 -1.133 147 3HD1 LEU 19 3HD1 LEU 19 -0.230 3.176 -0.449 148 1HD2 LEU 19 1HD2 LEU 19 2.301 1.868 0.741 149 2HD2 LEU 19 2HD2 LEU 19 1.584 0.316 1.171 150 3HD2 LEU 19 3HD2 LEU 19 0.720 1.813 1.519 151 H GLN 20 H GLN 20 -2.385 -1.884 -2.445 152 HA GLN 20 HA GLN 20 -0.113 -2.649 -4.173 153 1HB GLN 20 2HB GLN 20 -2.087 -4.328 -2.617 154 2HB GLN 20 1HB GLN 20 -1.069 -5.006 -3.881 155 1HG GLN 20 2HG GLN 20 -0.044 -3.585 -1.425 156 2HG GLN 20 1HG GLN 20 -0.167 -5.336 -1.603 157 1HE2 GLN 20 1HE2 GLN 20 1.447 -2.451 -2.732 158 2HE2 GLN 20 2HE2 GLN 20 2.812 -3.251 -3.429 159 H ASP 21 H ASP 21 -3.312 -1.635 -4.192 160 HA ASP 21 HA ASP 21 -4.162 -3.110 -6.532 161 1HB ASP 21 2HB ASP 21 -5.703 -2.350 -4.649 162 2HB ASP 21 1HB ASP 21 -5.524 -0.715 -5.272 163 HA PRO 22 HA PRO 22 -2.234 -0.274 -9.397 164 1HB PRO 22 2HB PRO 22 -3.799 -0.907 -11.592 165 2HB PRO 22 1HB PRO 22 -2.391 -1.835 -11.066 166 1HG PRO 22 2HG PRO 22 -5.297 -2.346 -10.545 167 2HG PRO 22 1HG PRO 22 -4.011 -3.498 -10.959 168 1HD PRO 22 2HD PRO 22 -4.887 -3.230 -8.436 169 2HD PRO 22 1HD PRO 22 -3.172 -3.532 -8.788 170 H LEU 23 H LEU 23 -5.776 -0.507 -9.237 171 HA LEU 23 HA LEU 23 -6.193 2.114 -10.361 172 1HB LEU 23 2HB LEU 23 -8.116 0.312 -8.868 173 2HB LEU 23 1HB LEU 23 -8.554 1.732 -9.801 174 HG LEU 23 HG LEU 23 -7.346 -0.802 -10.929 175 1HD1 LEU 23 1HD1 LEU 23 -9.644 -1.127 -10.188 176 2HD1 LEU 23 2HD1 LEU 23 -9.543 -1.139 -11.949 177 3HD1 LEU 23 3HD1 LEU 23 -10.156 0.287 -11.111 178 1HD2 LEU 23 1HD2 LEU 23 -7.832 0.205 -13.119 179 2HD2 LEU 23 2HD2 LEU 23 -6.661 1.156 -12.205 180 3HD2 LEU 23 3HD2 LEU 23 -8.338 1.693 -12.318 181 H GLY 24 H GLY 24 -6.279 0.614 -7.175 182 1HA GLY 24 2HA GLY 24 -7.105 2.760 -5.617 183 2HA GLY 24 1HA GLY 24 -6.020 1.486 -5.073 184 H LEU 25 H LEU 25 -3.739 1.759 -6.189 185 HA LEU 25 HA LEU 25 -2.505 3.976 -5.090 186 1HB LEU 25 2HB LEU 25 -1.718 1.822 -6.927 187 2HB LEU 25 1HB LEU 25 -0.782 3.292 -7.124 188 HG LEU 25 HG LEU 25 -1.106 1.762 -4.533 189 1HD1 LEU 25 1HD1 LEU 25 1.264 1.988 -6.393 190 2HD1 LEU 25 2HD1 LEU 25 0.271 0.550 -6.141 191 3HD1 LEU 25 3HD1 LEU 25 1.253 1.186 -4.822 192 1HD2 LEU 25 1HD2 LEU 25 0.558 4.194 -5.211 193 2HD2 LEU 25 2HD2 LEU 25 0.649 3.286 -3.702 194 3HD2 LEU 25 3HD2 LEU 25 -0.834 4.140 -4.125 195 H ALA 26 H ALA 26 -3.742 3.550 -8.387 196 HA ALA 26 HA ALA 26 -2.564 5.811 -9.543 197 1HB ALA 26 1HB ALA 26 -4.289 5.654 -11.257 198 2HB ALA 26 2HB ALA 26 -5.233 4.575 -10.227 199 3HB ALA 26 3HB ALA 26 -3.665 4.056 -10.846 200 H TYR 27 H TYR 27 -5.935 5.531 -8.380 201 HA TYR 27 HA TYR 27 -6.451 8.318 -8.587 202 1HB TYR 27 2HB TYR 27 -7.902 6.088 -7.135 203 2HB TYR 27 1HB TYR 27 -8.503 7.742 -7.202 204 HD1 TYR 27 1HD TYR 27 -10.000 8.286 -8.896 205 HD2 TYR 27 2HD TYR 27 -7.308 5.045 -9.526 206 HE1 TYR 27 1HE TYR 27 -11.069 7.823 -11.059 207 HE2 TYR 27 2HE TYR 27 -8.376 4.573 -11.690 208 HH TYR 27 HH TYR 27 -10.427 4.967 -12.883 209 H PHE 28 H PHE 28 -5.275 6.273 -5.988 210 HA PHE 28 HA PHE 28 -5.461 8.175 -3.895 211 1HB PHE 28 2HB PHE 28 -5.119 5.794 -3.443 212 2HB PHE 28 1HB PHE 28 -3.564 5.835 -4.261 213 HD1 PHE 28 1HD PHE 28 -1.655 6.059 -2.982 214 HD2 PHE 28 2HD PHE 28 -5.361 7.474 -1.420 215 HE1 PHE 28 1HE PHE 28 -0.555 6.567 -0.846 216 HE2 PHE 28 2HE PHE 28 -4.259 7.989 0.720 217 HZ PHE 28 HZ PHE 28 -1.855 7.535 1.010 218 H THR 29 H THR 29 -3.066 7.518 -6.376 219 HA THR 29 HA THR 29 -1.081 9.309 -5.382 220 HB THR 29 HB THR 29 -1.480 8.096 -8.131 221 HG1 THR 29 1HG THR 29 -0.871 6.757 -6.245 222 1HG2 THR 29 1HG2 THR 29 0.891 9.671 -7.094 223 2HG2 THR 29 2HG2 THR 29 -0.224 10.189 -8.361 224 3HG2 THR 29 3HG2 THR 29 0.826 8.797 -8.626 225 H GLU 30 H GLU 30 -3.851 9.609 -7.542 226 HA GLU 30 HA GLU 30 -3.342 12.149 -8.593 227 1HB GLU 30 2HB GLU 30 -5.977 10.848 -7.868 228 2HB GLU 30 1HB GLU 30 -5.849 12.351 -8.766 229 1HG GLU 30 2HG GLU 30 -4.455 11.045 -10.452 230 2HG GLU 30 1HG GLU 30 -5.011 9.595 -9.615 231 H PHE 31 H PHE 31 -5.224 11.291 -5.685 232 HA PHE 31 HA PHE 31 -5.546 13.911 -4.712 233 1HB PHE 31 2HB PHE 31 -5.549 11.212 -3.350 234 2HB PHE 31 1HB PHE 31 -5.803 12.701 -2.447 235 HD1 PHE 31 1HD PHE 31 -8.025 12.746 -1.807 236 HD2 PHE 31 2HD PHE 31 -7.048 11.622 -5.799 237 HE1 PHE 31 1HE PHE 31 -10.419 12.695 -2.379 238 HE2 PHE 31 2HE PHE 31 -9.432 11.574 -6.371 239 HZ PHE 31 HZ PHE 31 -11.125 12.110 -4.664 240 H LEU 32 H LEU 32 -3.080 11.466 -4.019 241 HA LEU 32 HA LEU 32 -1.702 12.941 -2.054 242 1HB LEU 32 2HB LEU 32 -1.565 10.477 -2.423 243 2HB LEU 32 1HB LEU 32 -0.611 10.782 -3.862 244 HG LEU 32 HG LEU 32 1.155 11.797 -2.484 245 1HD1 LEU 32 1HD1 LEU 32 -0.563 11.010 -0.129 246 2HD1 LEU 32 2HD1 LEU 32 -0.227 12.658 -0.663 247 3HD1 LEU 32 3HD1 LEU 32 1.082 11.646 -0.053 248 1HD2 LEU 32 1HD2 LEU 32 0.309 9.051 -1.557 249 2HD2 LEU 32 2HD2 LEU 32 1.924 9.742 -1.399 250 3HD2 LEU 32 3HD2 LEU 32 1.257 9.418 -2.998 251 H LYS 33 H LYS 33 -1.597 13.010 -5.523 252 HA LYS 33 HA LYS 33 0.857 14.375 -5.864 253 1HB LYS 33 2HB LYS 33 -0.335 13.263 -7.720 254 2HB LYS 33 1HB LYS 33 -1.642 14.426 -7.589 255 1HG LYS 33 2HG LYS 33 1.153 15.356 -8.161 256 2HG LYS 33 1HG LYS 33 0.147 14.697 -9.451 257 1HD LYS 33 2HD LYS 33 -1.560 16.401 -8.996 258 2HD LYS 33 1HD LYS 33 -0.573 17.051 -7.687 259 1HE LYS 33 2HE LYS 33 1.189 17.615 -9.295 260 2HE LYS 33 1HE LYS 33 0.207 16.957 -10.605 261 1HZ LYS 33 1HZ LYS 33 -1.485 18.635 -10.068 262 2HZ LYS 33 2HZ LYS 33 -0.022 19.329 -10.542 263 3HZ LYS 33 3HZ LYS 33 -0.454 19.301 -8.906 264 H LYS 34 H LYS 34 -2.469 15.449 -5.353 265 HA LYS 34 HA LYS 34 -1.945 18.229 -5.537 266 1HB LYS 34 2HB LYS 34 -4.202 17.176 -5.740 267 2HB LYS 34 1HB LYS 34 -4.166 16.823 -4.022 268 1HG LYS 34 2HG LYS 34 -3.771 19.655 -4.836 269 2HG LYS 34 1HG LYS 34 -5.382 18.971 -5.038 270 1HD LYS 34 2HD LYS 34 -3.811 18.969 -2.451 271 2HD LYS 34 1HD LYS 34 -5.082 20.123 -2.864 272 1HE LYS 34 2HE LYS 34 -5.401 17.133 -2.563 273 2HE LYS 34 1HE LYS 34 -5.969 18.363 -1.436 274 1HZ LYS 34 1HZ LYS 34 -7.760 17.577 -2.838 275 2HZ LYS 34 2HZ LYS 34 -6.907 18.000 -4.233 276 3HZ LYS 34 3HZ LYS 34 -7.445 19.204 -3.176 277 H GLU 35 H GLU 35 -1.588 15.866 -3.028 278 HA GLU 35 HA GLU 35 -1.095 17.767 -0.908 279 1HB GLU 35 2HB GLU 35 -0.554 14.791 -1.079 280 2HB GLU 35 1HB GLU 35 -0.413 15.762 0.381 281 1HG GLU 35 2HG GLU 35 -2.961 15.354 -1.179 282 2HG GLU 35 1HG GLU 35 -2.500 14.450 0.264 283 H PHE 36 H PHE 36 0.655 16.555 -3.516 284 HA PHE 36 HA PHE 36 2.755 16.889 -4.277 285 1HB PHE 36 2HB PHE 36 2.725 19.108 -3.282 286 2HB PHE 36 1HB PHE 36 3.157 18.447 -1.709 287 HD1 PHE 36 1HD PHE 36 5.394 18.363 -1.076 288 HD2 PHE 36 2HD PHE 36 4.420 18.695 -5.211 289 HE1 PHE 36 1HE PHE 36 7.777 18.648 -1.611 290 HE2 PHE 36 2HE PHE 36 6.804 18.984 -5.748 291 HZ PHE 36 HZ PHE 36 8.483 18.960 -3.949 292 H SER 37 H SER 37 2.020 15.186 -1.497 293 HA SER 37 HA SER 37 4.706 14.318 -0.852 294 1HB SER 37 2HB SER 37 2.988 14.671 0.915 295 2HB SER 37 1HB SER 37 2.044 13.348 0.232 296 HG SER 37 HG SER 37 4.205 13.269 1.880 297 H ALA 38 H ALA 38 3.207 13.686 -3.488 298 HA ALA 38 HA ALA 38 2.533 11.007 -3.693 299 1HB ALA 38 1HB ALA 38 3.871 12.693 -5.810 300 2HB ALA 38 2HB ALA 38 2.143 12.671 -5.458 301 3HB ALA 38 3HB ALA 38 2.934 11.224 -6.083 302 H GLU 39 H GLU 39 5.600 12.336 -3.119 303 HA GLU 39 HA GLU 39 7.276 10.489 -4.418 304 1HB GLU 39 2HB GLU 39 7.914 12.016 -1.886 305 2HB GLU 39 1HB GLU 39 9.054 11.399 -3.076 306 1HG GLU 39 2HG GLU 39 7.100 13.663 -3.412 307 2HG GLU 39 1HG GLU 39 8.859 13.756 -3.374 308 H ASN 40 H ASN 40 5.596 10.354 -1.333 309 HA ASN 40 HA ASN 40 7.334 8.493 -0.101 310 1HB ASN 40 2HB ASN 40 5.747 8.280 1.654 311 2HB ASN 40 1HB ASN 40 5.664 9.951 1.118 312 1HD2 ASN 40 1HD2 ASN 40 3.758 10.736 0.326 313 2HD2 ASN 40 2HD2 ASN 40 2.304 9.807 0.245 314 H VAL 41 H VAL 41 4.442 8.047 -2.094 315 HA VAL 41 HA VAL 41 4.285 5.233 -1.549 316 HB VAL 41 HB VAL 41 2.619 5.148 -3.397 317 1HG1 VAL 41 1HG1 VAL 41 0.912 6.500 -2.251 318 2HG1 VAL 41 2HG1 VAL 41 2.182 7.304 -1.328 319 3HG1 VAL 41 3HG1 VAL 41 1.900 5.576 -1.119 320 1HG2 VAL 41 1HG2 VAL 41 1.844 7.255 -4.409 321 2HG2 VAL 41 2HG2 VAL 41 3.517 6.899 -4.837 322 3HG2 VAL 41 3HG2 VAL 41 3.163 8.117 -3.611 323 H THR 42 H THR 42 5.770 7.197 -4.077 324 HA THR 42 HA THR 42 6.400 4.908 -5.703 325 HB THR 42 HB THR 42 6.122 7.194 -6.665 326 HG1 THR 42 1HG THR 42 8.623 6.763 -7.566 327 1HG2 THR 42 1HG2 THR 42 8.002 8.768 -6.568 328 2HG2 THR 42 2HG2 THR 42 8.813 7.721 -5.404 329 3HG2 THR 42 3HG2 THR 42 7.292 8.503 -4.976 330 H PHE 43 H PHE 43 7.979 6.786 -3.200 331 HA PHE 43 HA PHE 43 10.492 5.507 -3.188 332 1HB PHE 43 2HB PHE 43 10.263 7.477 -1.872 333 2HB PHE 43 1HB PHE 43 8.822 6.874 -1.067 334 HD1 PHE 43 1HD PHE 43 12.501 6.584 -1.245 335 HD2 PHE 43 2HD PHE 43 8.972 5.549 0.906 336 HE1 PHE 43 1HE PHE 43 13.877 5.817 0.643 337 HE2 PHE 43 2HE PHE 43 10.347 4.779 2.795 338 HZ PHE 43 HZ PHE 43 12.802 4.913 2.666 339 H TRP 44 H TRP 44 7.447 4.810 -1.554 340 HA TRP 44 HA TRP 44 8.222 2.580 -0.074 341 1HB TRP 44 2HB TRP 44 6.121 3.786 0.302 342 2HB TRP 44 1HB TRP 44 5.518 3.266 -1.265 343 HD1 TRP 44 HD TRP 44 6.077 2.007 2.298 344 HE1 TRP 44 1HE TRP 44 4.826 -0.224 2.593 345 HE3 TRP 44 3HE TRP 44 4.692 1.213 -2.551 346 HZ2 TRP 44 2HZ TRP 44 3.439 -2.080 0.977 347 HZ3 TRP 44 3HZ TRP 44 3.411 -0.807 -3.101 348 HH2 TRP 44 HH TRP 44 2.792 -2.421 -1.371 349 H LYS 45 H LYS 45 6.604 2.693 -3.265 350 HA LYS 45 HA LYS 45 6.588 -0.105 -3.634 351 1HB LYS 45 2HB LYS 45 5.873 0.309 -5.881 352 2HB LYS 45 1HB LYS 45 5.122 1.530 -4.861 353 1HG LYS 45 2HG LYS 45 6.797 3.162 -5.564 354 2HG LYS 45 1HG LYS 45 7.571 1.936 -6.564 355 1HD LYS 45 2HD LYS 45 6.203 3.348 -7.961 356 2HD LYS 45 1HD LYS 45 5.481 1.741 -7.884 357 1HE LYS 45 2HE LYS 45 3.807 2.494 -6.341 358 2HE LYS 45 1HE LYS 45 4.612 4.052 -6.145 359 1HZ LYS 45 1HZ LYS 45 2.726 4.255 -7.617 360 2HZ LYS 45 2HZ LYS 45 3.339 3.049 -8.637 361 3HZ LYS 45 3HZ LYS 45 4.155 4.522 -8.481 362 H ALA 46 H ALA 46 8.965 2.371 -4.394 363 HA ALA 46 HA ALA 46 10.658 0.877 -6.057 364 1HB ALA 46 1HB ALA 46 11.428 2.989 -4.036 365 2HB ALA 46 2HB ALA 46 10.917 3.289 -5.697 366 3HB ALA 46 3HB ALA 46 12.423 2.429 -5.381 367 H CYS 47 H CYS 47 10.607 1.212 -2.522 368 HA CYS 47 HA CYS 47 12.737 -0.621 -2.056 369 1HB CYS 47 2HB CYS 47 10.541 0.289 -0.178 370 2HB CYS 47 1HB CYS 47 12.039 -0.507 0.296 371 HG CYS 47 HG CYS 47 11.669 2.653 -0.951 372 H GLU 48 H GLU 48 9.293 -0.925 -2.480 373 HA GLU 48 HA GLU 48 8.995 -3.557 -1.444 374 1HB GLU 48 2HB GLU 48 7.220 -1.687 -2.053 375 2HB GLU 48 1HB GLU 48 7.221 -2.477 -3.619 376 1HG GLU 48 2HG GLU 48 6.605 -3.828 -0.993 377 2HG GLU 48 1HG GLU 48 5.404 -3.231 -2.132 378 H ARG 49 H ARG 49 9.735 -2.222 -4.628 379 HA ARG 49 HA ARG 49 9.835 -4.739 -5.977 380 1HB ARG 49 2HB ARG 49 9.502 -2.897 -7.402 381 2HB ARG 49 1HB ARG 49 10.777 -1.954 -6.641 382 1HG ARG 49 2HG ARG 49 12.478 -3.312 -7.670 383 2HG ARG 49 1HG ARG 49 11.266 -4.426 -8.302 384 1HD ARG 49 2HD ARG 49 11.224 -1.515 -9.041 385 2HD ARG 49 1HD ARG 49 12.273 -2.652 -9.886 386 HE ARG 49 HE ARG 49 9.816 -3.835 -9.949 387 1HH1 ARG 49 1HH1 ARG 49 10.985 -0.673 -10.910 388 2HH1 ARG 49 2HH1 ARG 49 9.940 -0.569 -12.291 389 1HH2 ARG 49 1HH2 ARG 49 8.425 -3.689 -11.755 390 2HH2 ARG 49 2HH2 ARG 49 8.463 -2.277 -12.763 391 H PHE 50 H PHE 50 12.189 -2.667 -4.372 392 HA PHE 50 HA PHE 50 14.540 -3.943 -5.152 393 1HB PHE 50 2HB PHE 50 14.267 -1.736 -3.899 394 2HB PHE 50 1HB PHE 50 14.095 -2.693 -2.433 395 HD1 PHE 50 1HD PHE 50 16.351 -0.957 -4.458 396 HD2 PHE 50 2HD PHE 50 16.060 -4.458 -2.050 397 HE1 PHE 50 1HE PHE 50 18.795 -0.994 -4.217 398 HE2 PHE 50 2HE PHE 50 18.506 -4.494 -1.809 399 HZ PHE 50 HZ PHE 50 19.877 -2.760 -2.890 400 H GLN 51 H GLN 51 12.385 -4.601 -2.415 401 HA GLN 51 HA GLN 51 14.048 -6.617 -1.275 402 1HB GLN 51 2HB GLN 51 12.086 -7.130 0.148 403 2HB GLN 51 1HB GLN 51 12.495 -5.420 0.134 404 1HG GLN 51 2HG GLN 51 10.688 -5.039 -1.514 405 2HG GLN 51 1HG GLN 51 10.248 -6.740 -1.379 406 1HE2 GLN 51 1HE2 GLN 51 8.178 -6.176 -0.664 407 2HE2 GLN 51 2HE2 GLN 51 7.901 -5.609 0.946 408 H GLN 52 H GLN 52 12.304 -6.657 -4.090 409 HA GLN 52 HA GLN 52 11.578 -9.476 -3.960 410 1HB GLN 52 2HB GLN 52 11.436 -7.546 -6.294 411 2HB GLN 52 1HB GLN 52 10.761 -9.169 -6.255 412 1HG GLN 52 2HG GLN 52 9.897 -6.796 -4.619 413 2HG GLN 52 1HG GLN 52 9.001 -7.579 -5.918 414 1HE2 GLN 52 1HE2 GLN 52 8.264 -7.095 -3.131 415 2HE2 GLN 52 2HE2 GLN 52 7.880 -8.646 -2.468 416 H ILE 53 H ILE 53 14.179 -7.469 -4.951 417 HA ILE 53 HA ILE 53 15.440 -9.104 -6.861 418 HB ILE 53 HB ILE 53 16.777 -7.265 -4.851 419 1HG1 ILE 53 2HG1 ILE 53 15.813 -6.634 -7.660 420 2HG1 ILE 53 1HG1 ILE 53 15.015 -6.113 -6.180 421 1HG2 ILE 53 1HG2 ILE 53 18.578 -7.122 -6.526 422 2HG2 ILE 53 2HG2 ILE 53 17.734 -8.312 -7.519 423 3HG2 ILE 53 3HG2 ILE 53 18.350 -8.766 -5.930 424 1HD1 ILE 53 1HD1 ILE 53 17.781 -5.325 -7.074 425 2HD1 ILE 53 2HD1 ILE 53 17.008 -4.826 -5.569 426 3HD1 ILE 53 3HD1 ILE 53 16.334 -4.318 -7.117 427 HA PRO 54 HA PRO 54 16.528 -12.678 -4.363 428 1HB PRO 54 2HB PRO 54 18.771 -12.765 -6.352 429 2HB PRO 54 1HB PRO 54 17.695 -14.062 -5.814 430 1HG PRO 54 2HG PRO 54 17.310 -12.913 -8.174 431 2HG PRO 54 1HG PRO 54 15.925 -13.323 -7.142 432 1HD PRO 54 2HD PRO 54 17.180 -10.656 -7.667 433 2HD PRO 54 1HD PRO 54 15.470 -11.074 -7.431 434 H ALA 55 H ALA 55 19.545 -11.277 -5.650 435 HA ALA 55 HA ALA 55 20.529 -9.925 -3.469 436 1HB ALA 55 1HB ALA 55 21.317 -12.844 -3.281 437 2HB ALA 55 2HB ALA 55 20.269 -11.986 -2.153 438 3HB ALA 55 3HB ALA 55 21.967 -11.532 -2.296 439 H SER 56 H SER 56 21.379 -12.385 -5.856 440 HA SER 56 HA SER 56 24.112 -11.648 -6.095 441 1HB SER 56 2HB SER 56 23.214 -13.898 -6.668 442 2HB SER 56 1HB SER 56 22.386 -13.192 -8.055 443 HG SER 56 HG SER 56 24.224 -13.051 -9.102 444 H ASP 57 H ASP 57 21.290 -10.194 -7.229 445 HA ASP 57 HA ASP 57 22.344 -9.087 -9.677 446 1HB ASP 57 2HB ASP 57 19.880 -8.133 -8.206 447 2HB ASP 57 1HB ASP 57 20.209 -8.082 -9.935 448 H THR 58 H THR 58 24.170 -8.449 -7.842 449 HA THR 58 HA THR 58 23.807 -6.290 -6.154 450 HB THR 58 HB THR 58 26.329 -6.991 -7.681 451 HG1 THR 58 1HG THR 58 24.972 -8.204 -5.625 452 1HG2 THR 58 1HG2 THR 58 26.475 -4.771 -6.646 453 2HG2 THR 58 2HG2 THR 58 27.504 -5.924 -5.794 454 3HG2 THR 58 3HG2 THR 58 25.953 -5.446 -5.102 455 H GLN 59 H GLN 59 24.285 -6.310 -9.627 456 HA GLN 59 HA GLN 59 24.856 -3.576 -9.993 457 1HB GLN 59 2HB GLN 59 23.375 -5.454 -11.856 458 2HB GLN 59 1HB GLN 59 24.077 -3.905 -12.307 459 1HG GLN 59 2HG GLN 59 26.312 -4.809 -11.657 460 2HG GLN 59 1HG GLN 59 25.547 -6.382 -11.424 461 1HE2 GLN 59 1HE2 GLN 59 24.735 -7.489 -13.239 462 2HE2 GLN 59 2HE2 GLN 59 25.269 -7.109 -14.839 463 H GLN 60 H GLN 60 21.769 -5.352 -10.025 464 HA GLN 60 HA GLN 60 20.182 -3.024 -10.457 465 1HB GLN 60 2HB GLN 60 19.605 -5.588 -10.806 466 2HB GLN 60 1HB GLN 60 19.040 -5.471 -9.145 467 1HG GLN 60 2HG GLN 60 17.528 -3.648 -9.777 468 2HG GLN 60 1HG GLN 60 18.093 -3.757 -11.441 469 1HE2 GLN 60 1HE2 GLN 60 16.041 -5.098 -9.031 470 2HE2 GLN 60 2HE2 GLN 60 15.279 -6.291 -10.029 471 H LEU 61 H LEU 61 21.258 -4.809 -7.630 472 HA LEU 61 HA LEU 61 19.770 -3.542 -5.639 473 1HB LEU 61 2HB LEU 61 22.621 -4.557 -5.545 474 2HB LEU 61 1HB LEU 61 21.706 -4.067 -4.134 475 HG LEU 61 HG LEU 61 21.013 -6.390 -5.948 476 1HD1 LEU 61 1HD1 LEU 61 21.661 -7.784 -4.043 477 2HD1 LEU 61 2HD1 LEU 61 22.157 -6.344 -3.152 478 3HD1 LEU 61 3HD1 LEU 61 23.015 -6.814 -4.620 479 1HD2 LEU 61 1HD2 LEU 61 19.748 -5.477 -3.359 480 2HD2 LEU 61 2HD2 LEU 61 19.346 -6.949 -4.246 481 3HD2 LEU 61 3HD2 LEU 61 19.021 -5.371 -4.964 482 H ALA 62 H ALA 62 22.978 -2.700 -6.928 483 HA ALA 62 HA ALA 62 23.358 -0.372 -5.412 484 1HB ALA 62 1HB ALA 62 25.096 0.192 -7.034 485 2HB ALA 62 2HB ALA 62 24.469 -1.027 -8.145 486 3HB ALA 62 3HB ALA 62 25.169 -1.517 -6.603 487 H GLN 63 H GLN 63 21.938 -0.863 -8.617 488 HA GLN 63 HA GLN 63 21.588 1.836 -9.296 489 1HB GLN 63 2HB GLN 63 20.258 -0.705 -10.201 490 2HB GLN 63 1HB GLN 63 19.706 0.856 -10.797 491 1HG GLN 63 2HG GLN 63 22.516 -0.212 -11.043 492 2HG GLN 63 1HG GLN 63 21.299 -0.206 -12.322 493 1HE2 GLN 63 1HE2 GLN 63 23.933 1.107 -12.193 494 2HE2 GLN 63 2HE2 GLN 63 23.625 2.788 -12.457 495 H GLU 64 H GLU 64 19.199 -0.449 -7.931 496 HA GLU 64 HA GLU 64 17.222 1.575 -7.674 497 1HB GLU 64 2HB GLU 64 17.394 -1.193 -6.456 498 2HB GLU 64 1HB GLU 64 15.991 -0.134 -6.313 499 1HG GLU 64 2HG GLU 64 15.910 -0.081 -8.833 500 2HG GLU 64 1HG GLU 64 17.130 -1.353 -8.820 501 H ALA 65 H ALA 65 19.765 0.395 -5.573 502 HA ALA 65 HA ALA 65 18.893 1.615 -3.172 503 1HB ALA 65 1HB ALA 65 20.689 -0.053 -3.206 504 2HB ALA 65 2HB ALA 65 21.215 1.441 -2.426 505 3HB ALA 65 3HB ALA 65 21.727 1.077 -4.075 506 H ARG 66 H ARG 66 21.051 2.781 -5.772 507 HA ARG 66 HA ARG 66 21.406 5.336 -4.541 508 1HB ARG 66 2HB ARG 66 22.568 5.996 -6.579 509 2HB ARG 66 1HB ARG 66 23.103 4.406 -6.068 510 1HG ARG 66 2HG ARG 66 22.921 4.136 -8.348 511 2HG ARG 66 1HG ARG 66 21.357 3.542 -7.796 512 1HD ARG 66 2HD ARG 66 20.399 5.795 -8.285 513 2HD ARG 66 1HD ARG 66 21.958 6.268 -8.955 514 HE ARG 66 HE ARG 66 21.439 4.117 -10.422 515 1HH1 ARG 66 1HH1 ARG 66 19.339 6.787 -9.534 516 2HH1 ARG 66 2HH1 ARG 66 18.361 6.649 -10.960 517 1HH2 ARG 66 1HH2 ARG 66 20.153 3.944 -12.296 518 2HH2 ARG 66 2HH2 ARG 66 18.818 5.032 -12.532 519 H ASN 67 H ASN 67 19.093 3.974 -6.748 520 HA ASN 67 HA ASN 67 17.900 6.368 -7.664 521 1HB ASN 67 2HB ASN 67 17.382 4.251 -8.740 522 2HB ASN 67 1HB ASN 67 16.725 3.603 -7.243 523 1HD2 ASN 67 1HD2 ASN 67 16.115 6.875 -8.413 524 2HD2 ASN 67 2HD2 ASN 67 14.435 6.629 -8.737 525 H ILE 68 H ILE 68 16.980 4.184 -5.009 526 HA ILE 68 HA ILE 68 14.989 5.806 -3.886 527 HB ILE 68 HB ILE 68 16.795 3.794 -2.511 528 1HG1 ILE 68 2HG1 ILE 68 13.984 3.447 -3.611 529 2HG1 ILE 68 1HG1 ILE 68 15.447 2.888 -4.413 530 1HG2 ILE 68 1HG2 ILE 68 14.169 4.981 -1.599 531 2HG2 ILE 68 2HG2 ILE 68 15.754 5.276 -0.884 532 3HG2 ILE 68 3HG2 ILE 68 15.033 3.669 -0.795 533 1HD1 ILE 68 1HD1 ILE 68 14.455 1.951 -1.727 534 2HD1 ILE 68 2HD1 ILE 68 15.895 1.366 -2.564 535 3HD1 ILE 68 3HD1 ILE 68 14.295 1.082 -3.252 536 H TYR 69 H TYR 69 18.451 5.558 -3.239 537 HA TYR 69 HA TYR 69 18.578 7.273 -1.028 538 1HB TYR 69 2HB TYR 69 20.390 5.707 -1.688 539 2HB TYR 69 1HB TYR 69 20.736 6.713 -3.086 540 HD1 TYR 69 1HD TYR 69 21.144 6.345 0.527 541 HD2 TYR 69 2HD TYR 69 21.771 8.938 -2.796 542 HE1 TYR 69 1HE TYR 69 22.714 7.682 1.872 543 HE2 TYR 69 2HE TYR 69 23.330 10.280 -1.464 544 HH TYR 69 HH TYR 69 23.824 10.747 0.892 545 H GLN 70 H GLN 70 19.504 7.998 -4.406 546 HA GLN 70 HA GLN 70 20.071 10.706 -3.757 547 1HB GLN 70 2HB GLN 70 19.900 9.271 -6.406 548 2HB GLN 70 1HB GLN 70 20.402 10.949 -6.237 549 1HG GLN 70 2HG GLN 70 22.321 10.316 -4.950 550 2HG GLN 70 1HG GLN 70 21.780 8.640 -4.871 551 1HE2 GLN 70 1HE2 GLN 70 23.207 11.106 -6.865 552 2HE2 GLN 70 2HE2 GLN 70 23.730 10.059 -8.138 553 H GLU 71 H GLU 71 17.247 9.110 -5.159 554 HA GLU 71 HA GLU 71 16.099 11.696 -5.901 555 1HB GLU 71 2HB GLU 71 15.299 8.842 -6.424 556 2HB GLU 71 1HB GLU 71 14.136 10.138 -6.642 557 1HG GLU 71 2HG GLU 71 15.042 9.722 -8.762 558 2HG GLU 71 1HG GLU 71 15.786 11.214 -8.207 559 H PHE 72 H PHE 72 16.050 9.763 -3.088 560 HA PHE 72 HA PHE 72 13.620 11.195 -2.227 561 1HB PHE 72 2HB PHE 72 14.060 8.240 -1.729 562 2HB PHE 72 1HB PHE 72 12.690 9.197 -1.170 563 HD1 PHE 72 1HD PHE 72 14.079 7.303 -3.887 564 HD2 PHE 72 2HD PHE 72 11.132 10.205 -2.882 565 HE1 PHE 72 1HE PHE 72 12.922 6.848 -6.004 566 HE2 PHE 72 2HE PHE 72 9.965 9.751 -4.999 567 HZ PHE 72 HZ PHE 72 10.867 8.076 -6.566 568 H LEU 73 H LEU 73 16.600 9.586 -1.293 569 HA LEU 73 HA LEU 73 16.163 10.373 1.509 570 1HB LEU 73 2HB LEU 73 18.207 8.482 0.336 571 2HB LEU 73 1HB LEU 73 17.922 8.766 2.046 572 HG LEU 73 HG LEU 73 15.901 7.565 0.139 573 1HD1 LEU 73 1HD1 LEU 73 17.793 6.066 0.482 574 2HD1 LEU 73 2HD1 LEU 73 16.342 5.453 1.274 575 3HD1 LEU 73 3HD1 LEU 73 17.610 6.221 2.229 576 1HD2 LEU 73 1HD2 LEU 73 15.858 7.881 3.143 577 2HD2 LEU 73 2HD2 LEU 73 14.658 7.017 2.181 578 3HD2 LEU 73 3HD2 LEU 73 14.855 8.757 1.984 579 H SER 74 H SER 74 17.798 11.431 -1.217 580 HA SER 74 HA SER 74 20.167 12.414 0.142 581 1HB SER 74 2HB SER 74 20.327 11.577 -2.169 582 2HB SER 74 1HB SER 74 19.207 12.828 -2.705 583 HG SER 74 HG SER 74 21.401 13.396 -3.055 584 H SER 75 H SER 75 20.773 14.753 -0.272 585 HA SER 75 HA SER 75 18.752 16.466 0.819 586 1HB SER 75 2HB SER 75 21.210 16.628 1.345 587 2HB SER 75 1HB SER 75 21.472 17.225 -0.292 588 HG SER 75 HG SER 75 21.123 19.093 0.612 589 H GLN 76 H GLN 76 20.237 15.959 -2.323 590 HA GLN 76 HA GLN 76 18.545 18.029 -3.546 591 1HB GLN 76 2HB GLN 76 21.047 17.901 -4.006 592 2HB GLN 76 1HB GLN 76 20.734 16.394 -4.857 593 1HG GLN 76 2HG GLN 76 19.237 17.614 -6.401 594 2HG GLN 76 1HG GLN 76 19.653 19.117 -5.576 595 1HE2 GLN 76 1HE2 GLN 76 21.745 19.949 -5.792 596 2HE2 GLN 76 2HE2 GLN 76 22.799 19.448 -7.071 597 H ALA 77 H ALA 77 17.297 15.744 -2.547 598 HA ALA 77 HA ALA 77 16.972 13.706 -4.539 599 1HB ALA 77 1HB ALA 77 16.825 13.207 -2.156 600 2HB ALA 77 2HB ALA 77 15.325 12.782 -2.979 601 3HB ALA 77 3HB ALA 77 15.414 14.255 -2.014 602 H LEU 78 H LEU 78 15.994 16.700 -4.737 603 HA LEU 78 HA LEU 78 14.482 17.868 -5.937 604 1HB LEU 78 2HB LEU 78 13.470 15.116 -6.664 605 2HB LEU 78 1HB LEU 78 12.656 16.575 -7.193 606 HG LEU 78 HG LEU 78 14.778 17.272 -8.342 607 1HD1 LEU 78 1HD1 LEU 78 16.488 15.583 -8.782 608 2HD1 LEU 78 2HD1 LEU 78 15.668 14.462 -7.693 609 3HD1 LEU 78 3HD1 LEU 78 16.372 15.951 -7.061 610 1HD2 LEU 78 1HD2 LEU 78 14.504 15.738 -10.237 611 2HD2 LEU 78 2HD2 LEU 78 12.949 16.252 -9.584 612 3HD2 LEU 78 3HD2 LEU 78 13.571 14.644 -9.215 613 H SER 79 H SER 79 13.175 15.252 -4.021 614 HA SER 79 HA SER 79 11.642 17.043 -2.388 615 1HB SER 79 2HB SER 79 10.151 14.919 -3.970 616 2HB SER 79 1HB SER 79 9.456 16.024 -2.786 617 HG SER 79 HG SER 79 9.812 16.403 -5.392 618 HA PRO 80 HA PRO 80 13.609 13.331 -0.384 619 1HB PRO 80 2HB PRO 80 13.793 15.281 1.854 620 2HB PRO 80 1HB PRO 80 15.038 14.229 1.171 621 1HG PRO 80 2HG PRO 80 15.059 16.860 0.706 622 2HG PRO 80 1HG PRO 80 15.522 15.704 -0.558 623 1HD PRO 80 2HD PRO 80 12.943 17.199 -0.206 624 2HD PRO 80 1HD PRO 80 13.858 16.864 -1.692 625 H VAL 81 H VAL 81 12.730 11.903 1.060 626 HA VAL 81 HA VAL 81 10.027 12.459 1.980 627 HB VAL 81 HB VAL 81 9.972 10.065 2.632 628 1HG1 VAL 81 1HG1 VAL 81 10.933 10.573 -0.190 629 2HG1 VAL 81 2HG1 VAL 81 9.274 10.723 0.391 630 3HG1 VAL 81 3HG1 VAL 81 10.057 9.142 0.354 631 1HG2 VAL 81 1HG2 VAL 81 12.323 9.751 3.214 632 2HG2 VAL 81 2HG2 VAL 81 12.790 9.988 1.530 633 3HG2 VAL 81 3HG2 VAL 81 11.831 8.580 1.990 634 H ASN 82 H ASN 82 9.409 12.747 4.066 635 HA ASN 82 HA ASN 82 11.484 13.357 5.983 636 1HB ASN 82 2HB ASN 82 8.467 13.553 6.180 637 2HB ASN 82 1HB ASN 82 9.578 14.076 7.441 638 1HD2 ASN 82 1HD2 ASN 82 7.638 15.628 5.945 639 2HD2 ASN 82 2HD2 ASN 82 8.521 16.892 5.166 640 H ILE 83 H ILE 83 12.401 11.406 6.512 641 HA ILE 83 HA ILE 83 10.822 9.744 8.363 642 HB ILE 83 HB ILE 83 11.993 7.714 7.561 643 1HG1 ILE 83 2HG1 ILE 83 13.065 9.560 5.395 644 2HG1 ILE 83 1HG1 ILE 83 14.014 8.777 6.654 645 1HG2 ILE 83 1HG2 ILE 83 10.505 9.167 5.370 646 2HG2 ILE 83 2HG2 ILE 83 9.778 8.231 6.676 647 3HG2 ILE 83 3HG2 ILE 83 10.770 7.425 5.462 648 1HD1 ILE 83 1HD1 ILE 83 13.458 6.594 5.692 649 2HD1 ILE 83 2HD1 ILE 83 14.284 7.644 4.542 650 3HD1 ILE 83 3HD1 ILE 83 12.542 7.401 4.420 651 H ASP 84 H ASP 84 12.671 8.156 9.445 652 HA ASP 84 HA ASP 84 14.298 9.946 10.940 653 1HB ASP 84 2HB ASP 84 15.198 7.908 12.045 654 2HB ASP 84 1HB ASP 84 13.441 7.972 12.035 655 H ARG 85 H ARG 85 15.587 11.006 9.521 656 HA ARG 85 HA ARG 85 17.591 9.487 8.012 657 1HB ARG 85 2HB ARG 85 16.711 12.382 7.895 658 2HB ARG 85 1HB ARG 85 18.059 11.741 6.963 659 1HG ARG 85 2HG ARG 85 16.614 10.291 5.725 660 2HG ARG 85 1HG ARG 85 15.248 10.664 6.775 661 1HD ARG 85 2HD ARG 85 16.654 12.705 5.049 662 2HD ARG 85 1HD ARG 85 15.209 11.821 4.553 663 HE ARG 85 HE ARG 85 14.823 13.113 7.062 664 1HH1 ARG 85 1HH1 ARG 85 14.940 13.758 3.623 665 2HH1 ARG 85 2HH1 ARG 85 13.860 15.114 3.712 666 1HH2 ARG 85 1HH2 ARG 85 13.402 14.884 7.180 667 2HH2 ARG 85 2HH2 ARG 85 12.994 15.763 5.737 668 H GLN 86 H GLN 86 17.258 10.877 10.993 669 HA GLN 86 HA GLN 86 19.769 12.192 11.296 670 1HB GLN 86 2HB GLN 86 17.980 10.954 13.407 671 2HB GLN 86 1HB GLN 86 19.317 12.054 13.718 672 1HG GLN 86 2HG GLN 86 18.153 13.827 12.514 673 2HG GLN 86 1HG GLN 86 16.823 12.725 12.161 674 1HE2 GLN 86 1HE2 GLN 86 15.434 12.094 13.840 675 2HE2 GLN 86 2HE2 GLN 86 15.334 12.994 15.315 676 H ALA 87 H ALA 87 18.631 9.094 12.640 677 HA ALA 87 HA ALA 87 21.412 8.181 12.893 678 1HB ALA 87 1HB ALA 87 18.847 7.060 14.037 679 2HB ALA 87 2HB ALA 87 20.018 8.064 14.895 680 3HB ALA 87 3HB ALA 87 20.470 6.446 14.358 681 H TRP 88 H TRP 88 20.097 8.302 10.313 682 HA TRP 88 HA TRP 88 19.018 5.825 9.517 683 1HB TRP 88 2HB TRP 88 18.813 8.056 8.318 684 2HB TRP 88 1HB TRP 88 20.450 7.803 7.723 685 HD1 TRP 88 HD TRP 88 17.050 5.928 7.644 686 HE1 TRP 88 1HE TRP 88 16.855 4.733 5.379 687 HE3 TRP 88 3HE TRP 88 21.604 7.171 5.665 688 HZ2 TRP 88 2HZ TRP 88 18.409 4.371 3.064 689 HZ3 TRP 88 3HZ TRP 88 22.165 6.354 3.406 690 HH2 TRP 88 HH TRP 88 20.596 4.982 2.138 691 H LEU 89 H LEU 89 20.124 4.532 7.657 692 HA LEU 89 HA LEU 89 22.177 3.055 8.823 693 1HB LEU 89 2HB LEU 89 21.237 3.194 5.952 694 2HB LEU 89 1HB LEU 89 22.441 2.049 6.506 695 HG LEU 89 HG LEU 89 20.741 1.106 8.089 696 1HD1 LEU 89 1HD1 LEU 89 19.256 3.027 8.274 697 2HD1 LEU 89 2HD1 LEU 89 18.377 1.606 7.714 698 3HD1 LEU 89 3HD1 LEU 89 18.821 2.874 6.571 699 1HD2 LEU 89 1HD2 LEU 89 19.523 -0.134 6.373 700 2HD2 LEU 89 2HD2 LEU 89 21.222 0.046 5.941 701 3HD2 LEU 89 3HD2 LEU 89 20.003 1.054 5.160 702 H GLY 90 H GLY 90 22.511 4.831 5.754 703 1HA GLY 90 2HA GLY 90 24.180 6.726 5.854 704 2HA GLY 90 1HA GLY 90 25.267 5.540 6.560 705 H GLU 91 H GLU 91 26.629 6.225 4.783 706 HA GLU 91 HA GLU 91 26.016 5.724 2.065 707 1HB GLU 91 2HB GLU 91 28.714 5.952 3.430 708 2HB GLU 91 1HB GLU 91 28.423 6.091 1.701 709 1HG GLU 91 2HG GLU 91 27.378 8.166 1.914 710 2HG GLU 91 1HG GLU 91 27.061 7.936 3.632 711 H GLU 92 H GLU 92 26.693 3.578 4.588 712 HA GLU 92 HA GLU 92 28.409 1.772 3.213 713 1HB GLU 92 2HB GLU 92 27.755 0.206 5.155 714 2HB GLU 92 1HB GLU 92 28.661 1.663 5.523 715 1HG GLU 92 2HG GLU 92 26.982 1.387 7.186 716 2HG GLU 92 1HG GLU 92 26.538 2.764 6.183 717 H VAL 93 H VAL 93 24.983 2.222 3.325 718 HA VAL 93 HA VAL 93 24.310 -0.389 2.409 719 HB VAL 93 HB VAL 93 22.666 1.097 3.538 720 1HG1 VAL 93 1HG1 VAL 93 22.628 2.603 0.924 721 2HG1 VAL 93 2HG1 VAL 93 23.261 3.204 2.457 722 3HG1 VAL 93 3HG1 VAL 93 21.539 2.860 2.290 723 1HG2 VAL 93 1HG2 VAL 93 21.908 -0.834 2.254 724 2HG2 VAL 93 2HG2 VAL 93 21.840 0.147 0.790 725 3HG2 VAL 93 3HG2 VAL 93 20.749 0.490 2.134 726 H LEU 94 H LEU 94 25.572 2.423 0.899 727 HA LEU 94 HA LEU 94 24.937 1.534 -1.793 728 1HB LEU 94 2HB LEU 94 26.736 3.754 -0.786 729 2HB LEU 94 1HB LEU 94 26.497 3.390 -2.482 730 HG LEU 94 HG LEU 94 25.132 5.258 -2.006 731 1HD1 LEU 94 1HD1 LEU 94 22.864 4.456 -2.419 732 2HD1 LEU 94 2HD1 LEU 94 23.355 2.820 -1.977 733 3HD1 LEU 94 3HD1 LEU 94 24.045 3.594 -3.404 734 1HD2 LEU 94 1HD2 LEU 94 23.467 5.309 -0.196 735 2HD2 LEU 94 2HD2 LEU 94 25.119 5.168 0.406 736 3HD2 LEU 94 3HD2 LEU 94 24.068 3.752 0.379 737 H ALA 95 H ALA 95 27.641 1.550 0.454 738 HA ALA 95 HA ALA 95 29.618 0.542 -1.305 739 1HB ALA 95 1HB ALA 95 29.472 0.332 1.709 740 2HB ALA 95 2HB ALA 95 30.160 1.679 0.801 741 3HB ALA 95 3HB ALA 95 30.912 0.085 0.718 742 H GLU 96 H GLU 96 27.264 -0.997 0.807 743 HA GLU 96 HA GLU 96 27.715 -3.525 -0.589 744 1HB GLU 96 2HB GLU 96 27.511 -4.758 1.601 745 2HB GLU 96 1HB GLU 96 29.011 -3.868 1.386 746 1HG GLU 96 2HG GLU 96 28.147 -2.067 2.803 747 2HG GLU 96 1HG GLU 96 26.645 -2.962 3.021 748 HA PRO 97 HA PRO 97 23.258 -2.462 -0.360 749 1HB PRO 97 2HB PRO 97 22.616 -3.314 -2.844 750 2HB PRO 97 1HB PRO 97 23.336 -1.724 -2.548 751 1HG PRO 97 2HG PRO 97 24.653 -4.254 -3.476 752 2HG PRO 97 1HG PRO 97 24.883 -2.593 -4.061 753 1HD PRO 97 2HD PRO 97 26.598 -3.809 -2.319 754 2HD PRO 97 1HD PRO 97 26.322 -2.054 -2.339 755 H ARG 98 H ARG 98 21.579 -3.788 0.122 756 HA ARG 98 HA ARG 98 21.760 -6.645 -0.436 757 1HB ARG 98 2HB ARG 98 21.123 -7.187 1.930 758 2HB ARG 98 1HB ARG 98 22.753 -6.567 1.749 759 1HG ARG 98 2HG ARG 98 20.472 -4.778 2.550 760 2HG ARG 98 1HG ARG 98 21.359 -5.744 3.730 761 1HD ARG 98 2HD ARG 98 23.463 -4.656 2.945 762 2HD ARG 98 1HD ARG 98 22.490 -3.614 1.906 763 HE ARG 98 HE ARG 98 21.448 -3.322 4.440 764 1HH1 ARG 98 1HH1 ARG 98 24.570 -2.782 2.926 765 2HH1 ARG 98 2HH1 ARG 98 25.013 -1.513 4.023 766 1HH2 ARG 98 1HH2 ARG 98 22.043 -1.656 5.873 767 2HH2 ARG 98 2HH2 ARG 98 23.586 -0.870 5.695 768 HA PRO 99 HA PRO 99 17.571 -6.195 -1.552 769 1HB PRO 99 2HB PRO 99 16.515 -8.613 -0.739 770 2HB PRO 99 1HB PRO 99 17.471 -8.380 -2.206 771 1HG PRO 99 2HG PRO 99 18.340 -9.382 0.482 772 2HG PRO 99 1HG PRO 99 18.767 -9.985 -1.131 773 1HD PRO 99 2HD PRO 99 20.457 -8.445 0.264 774 2HD PRO 99 1HD PRO 99 20.310 -8.280 -1.499 775 H ASP 100 H ASP 100 18.392 -6.637 1.740 776 HA ASP 100 HA ASP 100 15.792 -5.503 2.532 777 1HB ASP 100 2HB ASP 100 15.880 -7.910 3.176 778 2HB ASP 100 1HB ASP 100 17.328 -7.583 4.121 779 H MET 101 H MET 101 16.340 -3.457 2.975 780 HA MET 101 HA MET 101 18.447 -2.961 4.926 781 1HB MET 101 2HB MET 101 19.229 -1.012 3.350 782 2HB MET 101 1HB MET 101 19.843 -2.638 3.128 783 1HG MET 101 2HG MET 101 19.275 -1.535 1.012 784 2HG MET 101 1HG MET 101 18.356 -3.015 1.279 785 1HE MET 101 1HE MET 101 15.987 -0.485 -0.717 786 2HE MET 101 2HE MET 101 16.834 -2.027 -0.814 787 3HE MET 101 3HE MET 101 17.748 -0.520 -0.813 788 H PHE 102 H PHE 102 15.891 -1.461 2.921 789 HA PHE 102 HA PHE 102 15.742 0.722 4.888 790 1HB PHE 102 2HB PHE 102 14.503 0.592 2.125 791 2HB PHE 102 1HB PHE 102 14.484 1.980 3.205 792 HD1 PHE 102 1HD PHE 102 17.556 1.199 3.987 793 HD2 PHE 102 2HD PHE 102 15.424 2.138 0.416 794 HE1 PHE 102 1HE PHE 102 19.641 1.983 2.947 795 HE2 PHE 102 2HE PHE 102 17.511 2.925 -0.622 796 HZ PHE 102 HZ PHE 102 19.619 2.839 0.634 797 H ARG 103 H ARG 103 14.426 -2.165 4.565 798 HA ARG 103 HA ARG 103 11.756 -2.225 4.441 799 1HB ARG 103 2HB ARG 103 12.786 -4.243 4.949 800 2HB ARG 103 1HB ARG 103 13.677 -3.569 6.303 801 1HG ARG 103 2HG ARG 103 11.628 -3.500 7.633 802 2HG ARG 103 1HG ARG 103 10.714 -4.147 6.269 803 1HD ARG 103 2HD ARG 103 11.514 -5.768 8.130 804 2HD ARG 103 1HD ARG 103 11.700 -6.247 6.441 805 HE ARG 103 HE ARG 103 13.983 -6.089 6.648 806 1HH1 ARG 103 1HH1 ARG 103 12.493 -4.747 9.530 807 2HH1 ARG 103 2HH1 ARG 103 13.987 -4.646 10.400 808 1HH2 ARG 103 1HH2 ARG 103 15.929 -5.961 7.783 809 2HH2 ARG 103 2HH2 ARG 103 15.949 -5.350 9.411 810 H ALA 104 H ALA 104 13.520 -1.044 7.298 811 HA ALA 104 HA ALA 104 11.293 -0.610 8.948 812 1HB ALA 104 1HB ALA 104 13.927 0.869 8.940 813 2HB ALA 104 2HB ALA 104 13.599 -0.647 9.781 814 3HB ALA 104 3HB ALA 104 12.763 0.830 10.265 815 H GLN 105 H GLN 105 13.052 1.664 6.849 816 HA GLN 105 HA GLN 105 11.324 3.861 7.415 817 1HB GLN 105 2HB GLN 105 13.304 3.478 5.152 818 2HB GLN 105 1HB GLN 105 12.511 4.994 5.554 819 1HG GLN 105 2HG GLN 105 14.647 5.158 6.495 820 2HG GLN 105 1HG GLN 105 13.584 4.788 7.848 821 1HE2 GLN 105 1HE2 GLN 105 14.637 2.427 5.483 822 2HE2 GLN 105 2HE2 GLN 105 15.646 1.522 6.557 823 H GLN 106 H GLN 106 11.388 1.355 5.000 824 HA GLN 106 HA GLN 106 9.533 2.465 3.177 825 1HB GLN 106 2HB GLN 106 10.964 0.658 2.490 826 2HB GLN 106 1HB GLN 106 10.381 -0.380 3.779 827 1HG GLN 106 2HG GLN 106 8.443 0.587 1.722 828 2HG GLN 106 1HG GLN 106 9.580 -0.690 1.294 829 1HE2 GLN 106 1HE2 GLN 106 6.712 -0.865 1.466 830 2HE2 GLN 106 2HE2 GLN 106 6.362 -2.073 2.650 831 H LEU 107 H LEU 107 9.181 0.190 5.878 832 HA LEU 107 HA LEU 107 6.359 0.028 5.744 833 1HB LEU 107 2HB LEU 107 7.878 -1.592 6.926 834 2HB LEU 107 1HB LEU 107 8.105 -0.385 8.179 835 HG LEU 107 HG LEU 107 5.634 -0.447 8.600 836 1HD1 LEU 107 1HD1 LEU 107 4.343 -2.336 7.742 837 2HD1 LEU 107 2HD1 LEU 107 5.712 -2.820 6.740 838 3HD1 LEU 107 3HD1 LEU 107 4.898 -1.283 6.440 839 1HD2 LEU 107 1HD2 LEU 107 7.106 -3.066 8.918 840 2HD2 LEU 107 2HD2 LEU 107 5.669 -2.576 9.817 841 3HD2 LEU 107 3HD2 LEU 107 7.180 -1.690 10.020 842 H GLN 108 H GLN 108 8.586 2.303 7.152 843 HA GLN 108 HA GLN 108 6.930 3.613 8.976 844 1HB GLN 108 2HB GLN 108 9.375 4.041 8.725 845 2HB GLN 108 1HB GLN 108 9.051 4.901 7.225 846 1HG GLN 108 2HG GLN 108 9.363 6.478 9.011 847 2HG GLN 108 1HG GLN 108 7.684 6.524 8.474 848 1HE2 GLN 108 1HE2 GLN 108 6.066 5.704 9.823 849 2HE2 GLN 108 2HE2 GLN 108 6.337 5.423 11.509 850 H ILE 109 H ILE 109 7.434 4.247 5.511 851 HA ILE 109 HA ILE 109 5.558 6.327 5.251 852 HB ILE 109 HB ILE 109 6.789 4.392 3.313 853 1HG1 ILE 109 2HG1 ILE 109 7.667 6.445 2.293 854 2HG1 ILE 109 1HG1 ILE 109 6.720 7.423 3.406 855 1HG2 ILE 109 1HG2 ILE 109 4.509 4.535 2.507 856 2HG2 ILE 109 2HG2 ILE 109 5.578 5.443 1.439 857 3HG2 ILE 109 3HG2 ILE 109 4.557 6.296 2.596 858 1HD1 ILE 109 1HD1 ILE 109 8.026 6.579 5.274 859 2HD1 ILE 109 2HD1 ILE 109 9.057 7.322 4.049 860 3HD1 ILE 109 3HD1 ILE 109 8.958 5.566 4.169 861 H PHE 110 H PHE 110 5.220 2.814 5.004 862 HA PHE 110 HA PHE 110 2.587 2.701 4.098 863 1HB PHE 110 2HB PHE 110 4.109 0.726 4.300 864 2HB PHE 110 1HB PHE 110 3.882 0.768 6.046 865 HD1 PHE 110 1HD PHE 110 1.686 0.192 7.032 866 HD2 PHE 110 2HD PHE 110 2.409 -0.122 2.844 867 HE1 PHE 110 1HE PHE 110 -0.350 -1.169 6.782 868 HE2 PHE 110 2HE PHE 110 0.379 -1.479 2.593 869 HZ PHE 110 HZ PHE 110 -1.009 -1.996 4.558 870 H ASN 111 H ASN 111 3.714 2.502 7.496 871 HA ASN 111 HA ASN 111 1.049 2.585 8.516 872 1HB ASN 111 2HB ASN 111 1.995 2.577 10.714 873 2HB ASN 111 1HB ASN 111 2.972 1.504 9.722 874 1HD2 ASN 111 1HD2 ASN 111 5.103 1.994 9.362 875 2HD2 ASN 111 2HD2 ASN 111 5.918 3.296 10.153 876 H LEU 112 H LEU 112 3.206 4.985 7.449 877 HA LEU 112 HA LEU 112 2.419 7.167 9.058 878 1HB LEU 112 2HB LEU 112 4.319 6.843 7.194 879 2HB LEU 112 1HB LEU 112 3.109 7.590 6.177 880 HG LEU 112 HG LEU 112 4.650 9.272 6.955 881 1HD1 LEU 112 1HD1 LEU 112 2.020 9.538 8.410 882 2HD1 LEU 112 2HD1 LEU 112 2.335 9.988 6.734 883 3HD1 LEU 112 3HD1 LEU 112 3.140 10.852 8.044 884 1HD2 LEU 112 1HD2 LEU 112 5.487 8.142 8.936 885 2HD2 LEU 112 2HD2 LEU 112 3.941 8.385 9.754 886 3HD2 LEU 112 3HD2 LEU 112 4.947 9.774 9.337 887 H MET 113 H MET 113 1.432 6.346 5.723 888 HA MET 113 HA MET 113 -0.786 8.180 5.810 889 1HB MET 113 2HB MET 113 -0.079 6.083 3.743 890 2HB MET 113 1HB MET 113 -1.296 7.335 3.550 891 1HG MET 113 2HG MET 113 1.661 7.791 3.914 892 2HG MET 113 1HG MET 113 0.765 7.922 2.398 893 1HE MET 113 1HE MET 113 1.674 11.662 3.316 894 2HE MET 113 2HE MET 113 1.832 10.391 2.102 895 3HE MET 113 3HE MET 113 2.660 10.237 3.652 896 H LYS 114 H LYS 114 -0.290 4.885 6.589 897 HA LYS 114 HA LYS 114 -2.684 3.617 6.149 898 1HB LYS 114 2HB LYS 114 -0.742 2.491 7.071 899 2HB LYS 114 1HB LYS 114 -0.854 3.428 8.552 900 1HG LYS 114 2HG LYS 114 -3.038 2.342 9.022 901 2HG LYS 114 1HG LYS 114 -2.802 1.334 7.591 902 1HD LYS 114 2HD LYS 114 -0.761 0.404 8.558 903 2HD LYS 114 1HD LYS 114 -0.932 1.453 9.968 904 1HE LYS 114 2HE LYS 114 -3.068 0.335 10.507 905 2HE LYS 114 1HE LYS 114 -2.836 -0.738 9.126 906 1HZ LYS 114 1HZ LYS 114 -0.797 -1.545 10.163 907 2HZ LYS 114 2HZ LYS 114 -2.132 -1.795 11.169 908 3HZ LYS 114 3HZ LYS 114 -1.053 -0.534 11.494 909 H PHE 115 H PHE 115 -1.915 5.960 8.668 910 HA PHE 115 HA PHE 115 -4.643 5.672 9.766 911 1HB PHE 115 2HB PHE 115 -2.702 5.100 11.277 912 2HB PHE 115 1HB PHE 115 -2.194 6.780 11.174 913 HD1 PHE 115 1HD PHE 115 -5.180 4.719 12.066 914 HD2 PHE 115 2HD PHE 115 -2.925 8.259 12.807 915 HE1 PHE 115 1HE PHE 115 -6.650 5.258 13.965 916 HE2 PHE 115 2HE PHE 115 -4.394 8.799 14.704 917 HZ PHE 115 HZ PHE 115 -6.258 7.298 15.286 918 H ASP 116 H ASP 116 -3.679 7.365 7.465 919 HA ASP 116 HA ASP 116 -4.822 9.877 8.370 920 1HB ASP 116 2HB ASP 116 -2.462 10.239 8.867 921 2HB ASP 116 1HB ASP 116 -2.014 9.757 7.234 922 H SER 117 H SER 117 -2.775 9.474 5.527 923 HA SER 117 HA SER 117 -4.675 10.638 3.834 924 1HB SER 117 2HB SER 117 -2.175 10.534 3.461 925 2HB SER 117 1HB SER 117 -2.390 8.862 2.942 926 HG SER 117 HG SER 117 -2.636 9.838 1.071 927 H TYR 118 H TYR 118 -3.909 7.246 4.474 928 HA TYR 118 HA TYR 118 -5.560 6.031 2.583 929 1HB TYR 118 2HB TYR 118 -4.089 4.632 3.809 930 2HB TYR 118 1HB TYR 118 -4.711 5.194 5.356 931 HD1 TYR 118 1HD TYR 118 -6.198 3.664 2.262 932 HD2 TYR 118 2HD TYR 118 -5.881 3.571 6.507 933 HE1 TYR 118 1HE TYR 118 -7.732 1.746 2.331 934 HE2 TYR 118 2HE TYR 118 -7.416 1.657 6.585 935 HH TYR 118 HH TYR 118 -8.365 -0.053 3.748 936 H ALA 119 H ALA 119 -6.336 6.809 5.976 937 HA ALA 119 HA ALA 119 -9.033 6.049 5.865 938 1HB ALA 119 1HB ALA 119 -9.305 7.320 7.933 939 2HB ALA 119 2HB ALA 119 -7.753 8.115 7.660 940 3HB ALA 119 3HB ALA 119 -7.813 6.378 7.966 941 H ARG 120 H ARG 120 -7.414 8.999 4.992 942 HA ARG 120 HA ARG 120 -9.710 10.666 4.793 943 1HB ARG 120 2HB ARG 120 -7.364 11.463 5.067 944 2HB ARG 120 1HB ARG 120 -7.017 10.922 3.432 945 1HG ARG 120 2HG ARG 120 -8.666 12.533 2.564 946 2HG ARG 120 1HG ARG 120 -8.963 13.092 4.214 947 1HD ARG 120 2HD ARG 120 -6.538 13.655 4.387 948 2HD ARG 120 1HD ARG 120 -6.366 13.240 2.682 949 HE ARG 120 HE ARG 120 -8.397 15.213 3.197 950 1HH1 ARG 120 1HH1 ARG 120 -5.006 14.665 2.546 951 2HH1 ARG 120 2HH1 ARG 120 -4.707 16.295 2.036 952 1HH2 ARG 120 1HH2 ARG 120 -8.017 17.360 2.537 953 2HH2 ARG 120 2HH2 ARG 120 -6.426 17.834 2.033 954 H PHE 121 H PHE 121 -7.843 8.764 2.446 955 HA PHE 121 HA PHE 121 -9.165 9.682 0.135 956 1HB PHE 121 2HB PHE 121 -6.984 8.558 0.048 957 2HB PHE 121 1HB PHE 121 -7.721 7.057 0.602 958 HD1 PHE 121 1HD PHE 121 -7.876 9.550 -2.165 959 HD2 PHE 121 2HD PHE 121 -8.516 5.510 -0.961 960 HE1 PHE 121 1HE PHE 121 -8.332 8.927 -4.500 961 HE2 PHE 121 2HE PHE 121 -8.974 4.887 -3.296 962 HZ PHE 121 HZ PHE 121 -8.884 6.594 -5.068 963 H VAL 122 H VAL 122 -9.647 6.722 2.066 964 HA VAL 122 HA VAL 122 -11.819 5.773 0.494 965 HB VAL 122 HB VAL 122 -12.245 4.181 2.323 966 1HG1 VAL 122 1HG1 VAL 122 -10.511 3.666 0.687 967 2HG1 VAL 122 2HG1 VAL 122 -10.071 3.037 2.274 968 3HG1 VAL 122 3HG1 VAL 122 -9.310 4.510 1.669 969 1HG2 VAL 122 1HG2 VAL 122 -10.123 5.732 3.822 970 2HG2 VAL 122 2HG2 VAL 122 -10.814 4.193 4.334 971 3HG2 VAL 122 3HG2 VAL 122 -11.834 5.628 4.238 972 H LYS 123 H LYS 123 -11.591 8.233 2.815 973 HA LYS 123 HA LYS 123 -14.384 8.184 3.596 974 1HB LYS 123 2HB LYS 123 -12.579 8.967 5.134 975 2HB LYS 123 1HB LYS 123 -12.271 10.313 4.046 976 1HG LYS 123 2HG LYS 123 -14.583 11.113 4.436 977 2HG LYS 123 1HG LYS 123 -14.809 9.802 5.598 978 1HD LYS 123 2HD LYS 123 -12.764 12.025 5.796 979 2HD LYS 123 1HD LYS 123 -14.256 11.902 6.728 980 1HE LYS 123 2HE LYS 123 -11.967 9.931 6.821 981 2HE LYS 123 1HE LYS 123 -12.281 11.187 8.017 982 1HZ LYS 123 1HZ LYS 123 -14.037 8.875 7.381 983 2HZ LYS 123 2HZ LYS 123 -14.443 10.125 8.447 984 3HZ LYS 123 3HZ LYS 123 -13.139 9.107 8.797 985 H SER 124 H SER 124 -12.364 9.628 1.184 986 HA SER 124 HA SER 124 -13.946 11.875 0.519 987 1HB SER 124 2HB SER 124 -11.976 10.329 -1.191 988 2HB SER 124 1HB SER 124 -12.589 11.947 -1.539 989 HG SER 124 HG SER 124 -11.289 11.355 0.901 990 HA PRO 125 HA PRO 125 -17.443 10.287 -1.617 991 1HB PRO 125 2HB PRO 125 -17.577 12.046 -3.769 992 2HB PRO 125 1HB PRO 125 -18.204 12.370 -2.151 993 1HG PRO 125 2HG PRO 125 -15.599 13.197 -3.373 994 2HG PRO 125 1HG PRO 125 -16.698 14.130 -2.337 995 1HD PRO 125 2HD PRO 125 -14.464 13.052 -1.343 996 2HD PRO 125 1HD PRO 125 -15.966 13.063 -0.392 997 H LEU 126 H LEU 126 -14.536 10.866 -3.525 998 HA LEU 126 HA LEU 126 -15.188 9.598 -5.897 999 1HB LEU 126 2HB LEU 126 -13.110 10.875 -5.517 1000 2HB LEU 126 1HB LEU 126 -12.505 9.595 -4.486 1001 HG LEU 126 HG LEU 126 -13.202 8.972 -7.349 1002 1HD1 LEU 126 1HD1 LEU 126 -11.783 10.991 -7.419 1003 2HD1 LEU 126 2HD1 LEU 126 -10.971 9.571 -8.074 1004 3HD1 LEU 126 3HD1 LEU 126 -10.565 10.148 -6.459 1005 1HD2 LEU 126 1HD2 LEU 126 -11.127 7.891 -5.429 1006 2HD2 LEU 126 2HD2 LEU 126 -11.369 7.340 -7.087 1007 3HD2 LEU 126 3HD2 LEU 126 -12.638 7.105 -5.888 1008 H TYR 127 H TYR 127 -14.360 8.212 -2.791 1009 HA TYR 127 HA TYR 127 -13.763 5.607 -3.642 1010 1HB TYR 127 2HB TYR 127 -13.306 6.512 -1.352 1011 2HB TYR 127 1HB TYR 127 -15.028 6.396 -1.005 1012 HD1 TYR 127 1HD TYR 127 -15.331 4.682 0.549 1013 HD2 TYR 127 2HD TYR 127 -12.672 4.042 -2.719 1014 HE1 TYR 127 1HE TYR 127 -15.012 2.352 1.266 1015 HE2 TYR 127 2HE TYR 127 -12.358 1.709 -2.008 1016 HH TYR 127 HH TYR 127 -14.317 0.220 0.373 1017 H ARG 128 H ARG 128 -16.866 6.886 -2.326 1018 HA ARG 128 HA ARG 128 -18.306 4.524 -2.936 1019 1HB ARG 128 2HB ARG 128 -19.167 6.193 -1.313 1020 2HB ARG 128 1HB ARG 128 -19.443 7.321 -2.641 1021 1HG ARG 128 2HG ARG 128 -20.943 5.587 -3.676 1022 2HG ARG 128 1HG ARG 128 -20.788 4.660 -2.188 1023 1HD ARG 128 2HD ARG 128 -21.806 6.472 -0.927 1024 2HD ARG 128 1HD ARG 128 -21.892 7.464 -2.387 1025 HE ARG 128 HE ARG 128 -23.332 4.894 -2.106 1026 1HH1 ARG 128 1HH1 ARG 128 -23.289 8.289 -2.988 1027 2HH1 ARG 128 2HH1 ARG 128 -24.857 8.242 -3.734 1028 1HH2 ARG 128 1HH2 ARG 128 -25.382 4.826 -3.099 1029 2HH2 ARG 128 2HH2 ARG 128 -26.056 6.273 -3.785 1030 H GLU 129 H GLU 129 -17.442 7.335 -4.767 1031 HA GLU 129 HA GLU 129 -19.263 7.118 -6.892 1032 1HB GLU 129 2HB GLU 129 -17.704 9.049 -6.341 1033 2HB GLU 129 1HB GLU 129 -16.418 8.118 -7.094 1034 1HG GLU 129 2HG GLU 129 -17.526 8.193 -9.223 1035 2HG GLU 129 1HG GLU 129 -18.953 8.942 -8.502 1036 H CYS 130 H CYS 130 -16.570 5.193 -6.016 1037 HA CYS 130 HA CYS 130 -16.590 3.797 -8.599 1038 1HB CYS 130 2HB CYS 130 -14.786 3.402 -6.195 1039 2HB CYS 130 1HB CYS 130 -14.606 2.622 -7.764 1040 HG CYS 130 HG CYS 130 -14.310 5.986 -7.203 1041 H LEU 131 H LEU 131 -17.595 3.511 -5.282 1042 HA LEU 131 HA LEU 131 -18.093 0.669 -5.374 1043 1HB LEU 131 2HB LEU 131 -18.522 2.833 -3.357 1044 2HB LEU 131 1HB LEU 131 -19.439 1.351 -3.190 1045 HG LEU 131 HG LEU 131 -17.361 0.060 -3.032 1046 1HD1 LEU 131 1HD1 LEU 131 -15.200 1.151 -2.853 1047 2HD1 LEU 131 2HD1 LEU 131 -15.945 2.718 -3.166 1048 3HD1 LEU 131 3HD1 LEU 131 -15.932 1.482 -4.423 1049 1HD2 LEU 131 1HD2 LEU 131 -17.466 2.401 -1.127 1050 2HD2 LEU 131 2HD2 LEU 131 -16.638 0.870 -0.839 1051 3HD2 LEU 131 3HD2 LEU 131 -18.394 0.906 -0.992 1052 H LEU 132 H LEU 132 -19.696 3.260 -6.707 1053 HA LEU 132 HA LEU 132 -22.393 2.527 -6.113 1054 1HB LEU 132 2HB LEU 132 -22.969 4.077 -8.015 1055 2HB LEU 132 1HB LEU 132 -22.077 4.780 -6.683 1056 HG LEU 132 HG LEU 132 -19.989 4.604 -8.071 1057 1HD1 LEU 132 1HD1 LEU 132 -21.919 3.900 -10.283 1058 2HD1 LEU 132 2HD1 LEU 132 -20.645 2.867 -9.633 1059 3HD1 LEU 132 3HD1 LEU 132 -20.225 4.341 -10.502 1060 1HD2 LEU 132 1HD2 LEU 132 -21.206 6.700 -7.853 1061 2HD2 LEU 132 2HD2 LEU 132 -22.244 6.258 -9.209 1062 3HD2 LEU 132 3HD2 LEU 132 -20.523 6.541 -9.471 1063 H ALA 133 H ALA 133 -20.361 0.617 -7.527 1064 HA ALA 133 HA ALA 133 -21.604 -0.120 -9.971 1065 1HB ALA 133 1HB ALA 133 -19.807 -1.747 -8.164 1066 2HB ALA 133 2HB ALA 133 -19.275 -0.690 -9.473 1067 3HB ALA 133 3HB ALA 133 -20.221 -2.134 -9.835 1068 H GLU 134 H GLU 134 -23.822 -0.058 -9.196 1069 HA GLU 134 HA GLU 134 -24.653 -2.596 -7.945 1070 1HB GLU 134 2HB GLU 134 -26.812 -1.345 -7.443 1071 2HB GLU 134 1HB GLU 134 -25.396 -0.835 -6.535 1072 1HG GLU 134 2HG GLU 134 -25.108 1.071 -8.045 1073 2HG GLU 134 1HG GLU 134 -26.530 0.563 -8.956 1074 H ALA 135 H ALA 135 -25.491 -0.196 -10.423 1075 HA ALA 135 HA ALA 135 -26.889 -2.225 -11.998 1076 1HB ALA 135 1HB ALA 135 -27.855 0.023 -11.920 1077 2HB ALA 135 2HB ALA 135 -27.341 -0.373 -13.560 1078 3HB ALA 135 3HB ALA 135 -26.360 0.704 -12.562 1079 H GLU 136 H GLU 136 -23.931 -0.404 -11.833 1080 HA GLU 136 HA GLU 136 -22.774 -1.792 -14.131 1081 1HB GLU 136 2HB GLU 136 -21.798 0.410 -12.300 1082 2HB GLU 136 1HB GLU 136 -20.708 -0.421 -13.400 1083 1HG GLU 136 2HG GLU 136 -21.446 1.673 -14.353 1084 2HG GLU 136 1HG GLU 136 -22.049 0.318 -15.303 Start of MODEL 14 1 1H SER 1 1HT SER 1 -12.294 -23.183 -7.266 2 2H SER 1 2HT SER 1 -12.836 -22.753 -8.811 3 3H SER 1 3HT SER 1 -13.925 -22.803 -7.520 4 HA SER 1 HA SER 1 -12.807 -20.990 -6.440 5 1HB SER 1 2HB SER 1 -10.547 -21.509 -7.412 6 2HB SER 1 1HB SER 1 -11.102 -20.852 -8.950 7 HG SER 1 HG SER 1 -10.991 -18.863 -8.166 8 H MET 2 H MET 2 -14.555 -19.753 -6.562 9 HA MET 2 HA MET 2 -15.978 -19.212 -8.967 10 1HB MET 2 2HB MET 2 -16.150 -17.995 -6.201 11 2HB MET 2 1HB MET 2 -17.234 -17.563 -7.515 12 1HG MET 2 2HG MET 2 -16.927 -20.305 -6.304 13 2HG MET 2 1HG MET 2 -18.258 -19.183 -6.022 14 1HE MET 2 1HE MET 2 -18.563 -17.967 -9.011 15 2HE MET 2 2HE MET 2 -19.937 -18.387 -7.988 16 3HE MET 2 3HE MET 2 -19.848 -18.999 -9.639 17 H THR 3 H THR 3 -15.990 -17.423 -10.259 18 HA THR 3 HA THR 3 -13.735 -15.726 -10.341 19 HB THR 3 HB THR 3 -15.000 -16.208 -12.369 20 HG1 THR 3 1HG THR 3 -15.007 -13.458 -11.601 21 1HG2 THR 3 1HG2 THR 3 -17.258 -14.616 -11.140 22 2HG2 THR 3 2HG2 THR 3 -17.255 -16.356 -11.429 23 3HG2 THR 3 3HG2 THR 3 -17.212 -15.236 -12.790 24 H GLU 4 H GLU 4 -13.283 -14.190 -8.912 25 HA GLU 4 HA GLU 4 -15.505 -12.759 -7.593 26 1HB GLU 4 2HB GLU 4 -12.778 -13.435 -6.492 27 2HB GLU 4 1HB GLU 4 -13.985 -12.476 -5.661 28 1HG GLU 4 2HG GLU 4 -14.343 -15.355 -6.476 29 2HG GLU 4 1HG GLU 4 -13.872 -14.812 -4.867 30 H GLU 5 H GLU 5 -15.580 -10.678 -7.899 31 HA GLU 5 HA GLU 5 -13.138 -9.181 -8.596 32 1HB GLU 5 2HB GLU 5 -15.989 -8.522 -9.409 33 2HB GLU 5 1HB GLU 5 -14.569 -7.565 -9.791 34 1HG GLU 5 2HG GLU 5 -14.912 -8.685 -11.763 35 2HG GLU 5 1HG GLU 5 -13.740 -9.733 -10.970 36 H GLN 6 H GLN 6 -12.535 -7.876 -6.952 37 HA GLN 6 HA GLN 6 -14.337 -7.391 -4.754 38 1HB GLN 6 2HB GLN 6 -11.509 -6.402 -5.210 39 2HB GLN 6 1HB GLN 6 -12.419 -6.217 -3.716 40 1HG GLN 6 2HG GLN 6 -12.559 -8.726 -3.611 41 2HG GLN 6 1HG GLN 6 -11.422 -8.771 -4.957 42 1HE2 GLN 6 1HE2 GLN 6 -9.816 -9.777 -3.774 43 2HE2 GLN 6 2HE2 GLN 6 -8.942 -8.982 -2.513 44 HA PRO 7 HA PRO 7 -15.730 -3.433 -6.327 45 1HB PRO 7 2HB PRO 7 -17.080 -2.616 -4.119 46 2HB PRO 7 1HB PRO 7 -17.711 -3.862 -5.204 47 1HG PRO 7 2HG PRO 7 -16.288 -4.179 -2.583 48 2HG PRO 7 1HG PRO 7 -17.725 -5.028 -3.184 49 1HD PRO 7 2HD PRO 7 -15.231 -6.117 -3.260 50 2HD PRO 7 1HD PRO 7 -16.478 -6.489 -4.469 51 H VAL 8 H VAL 8 -15.335 -1.183 -5.889 52 HA VAL 8 HA VAL 8 -12.750 -0.648 -4.931 53 HB VAL 8 HB VAL 8 -13.282 1.729 -5.260 54 1HG1 VAL 8 1HG1 VAL 8 -14.354 -0.068 -7.443 55 2HG1 VAL 8 2HG1 VAL 8 -12.664 0.375 -7.192 56 3HG1 VAL 8 3HG1 VAL 8 -13.838 1.607 -7.653 57 1HG2 VAL 8 1HG2 VAL 8 -15.560 1.753 -4.376 58 2HG2 VAL 8 2HG2 VAL 8 -16.113 0.774 -5.734 59 3HG2 VAL 8 3HG2 VAL 8 -15.525 2.414 -6.011 60 H ALA 9 H ALA 9 -15.672 -0.974 -3.222 61 HA ALA 9 HA ALA 9 -15.105 0.744 -1.020 62 1HB ALA 9 1HB ALA 9 -17.377 -0.033 -1.522 63 2HB ALA 9 2HB ALA 9 -16.901 -0.453 0.123 64 3HB ALA 9 3HB ALA 9 -16.899 -1.686 -1.139 65 H SER 10 H SER 10 -14.041 -2.402 -1.969 66 HA SER 10 HA SER 10 -13.438 -3.504 0.550 67 1HB SER 10 2HB SER 10 -12.171 -4.083 -2.141 68 2HB SER 10 1HB SER 10 -12.051 -5.104 -0.707 69 HG SER 10 HG SER 10 -14.428 -5.156 -0.797 70 H TRP 11 H TRP 11 -11.871 -1.013 -1.229 71 HA TRP 11 HA TRP 11 -9.232 -1.244 -0.304 72 1HB TRP 11 2HB TRP 11 -10.808 1.309 -0.739 73 2HB TRP 11 1HB TRP 11 -9.058 1.185 -0.641 74 HD1 TRP 11 HD TRP 11 -9.106 -1.527 -2.647 75 HE1 TRP 11 1HE TRP 11 -9.299 -1.047 -5.171 76 HE3 TRP 11 3HE TRP 11 -10.947 3.230 -2.410 77 HZ2 TRP 11 2HZ TRP 11 -10.135 1.083 -6.833 78 HZ3 TRP 11 3HZ TRP 11 -11.413 4.431 -4.503 79 HH2 TRP 11 HH TRP 11 -11.014 3.379 -6.677 80 H ALA 12 H ALA 12 -12.159 -0.105 1.215 81 HA ALA 12 HA ALA 12 -10.860 1.234 3.398 82 1HB ALA 12 1HB ALA 12 -13.023 1.986 2.534 83 2HB ALA 12 2HB ALA 12 -13.117 1.586 4.250 84 3HB ALA 12 3HB ALA 12 -13.757 0.465 3.047 85 H LEU 13 H LEU 13 -10.899 -1.912 2.795 86 HA LEU 13 HA LEU 13 -11.603 -2.831 5.471 87 1HB LEU 13 2HB LEU 13 -10.571 -4.345 3.064 88 2HB LEU 13 1HB LEU 13 -11.023 -5.081 4.592 89 HG LEU 13 HG LEU 13 -12.888 -3.625 2.705 90 1HD1 LEU 13 1HD1 LEU 13 -13.899 -5.822 2.362 91 2HD1 LEU 13 2HD1 LEU 13 -12.671 -6.557 3.394 92 3HD1 LEU 13 3HD1 LEU 13 -12.207 -5.810 1.866 93 1HD2 LEU 13 1HD2 LEU 13 -14.678 -4.379 4.211 94 2HD2 LEU 13 2HD2 LEU 13 -13.562 -3.279 5.018 95 3HD2 LEU 13 3HD2 LEU 13 -13.466 -5.013 5.327 96 H SER 14 H SER 14 -8.789 -2.139 3.510 97 HA SER 14 HA SER 14 -7.041 -2.152 5.752 98 1HB SER 14 2HB SER 14 -7.157 -4.571 5.496 99 2HB SER 14 1HB SER 14 -6.773 -4.445 3.782 100 HG SER 14 HG SER 14 -4.967 -4.992 5.154 101 H PHE 15 H PHE 15 -5.219 -1.027 5.348 102 HA PHE 15 HA PHE 15 -4.986 0.499 2.981 103 1HB PHE 15 2HB PHE 15 -4.117 1.276 5.149 104 2HB PHE 15 1HB PHE 15 -2.934 -0.026 5.155 105 HD1 PHE 15 1HD PHE 15 -0.830 0.922 4.965 106 HD2 PHE 15 2HD PHE 15 -3.974 2.376 2.479 107 HE1 PHE 15 1HE PHE 15 0.765 2.390 3.803 108 HE2 PHE 15 2HE PHE 15 -2.379 3.843 1.317 109 HZ PHE 15 HZ PHE 15 -0.006 3.854 1.978 110 H GLU 16 H GLU 16 -3.425 -2.440 4.128 111 HA GLU 16 HA GLU 16 -1.478 -2.839 2.217 112 1HB GLU 16 2HB GLU 16 -1.808 -4.315 4.161 113 2HB GLU 16 1HB GLU 16 -3.299 -4.925 3.455 114 1HG GLU 16 2HG GLU 16 -1.972 -5.804 1.542 115 2HG GLU 16 1HG GLU 16 -0.506 -5.292 2.375 116 H ARG 17 H ARG 17 -4.945 -3.556 2.039 117 HA ARG 17 HA ARG 17 -4.975 -4.798 -0.483 118 1HB ARG 17 2HB ARG 17 -6.913 -4.905 0.993 119 2HB ARG 17 1HB ARG 17 -7.121 -3.161 0.901 120 1HG ARG 17 2HG ARG 17 -8.757 -4.126 -0.519 121 2HG ARG 17 1HG ARG 17 -7.524 -3.427 -1.567 122 1HD ARG 17 2HD ARG 17 -7.945 -5.505 -2.538 123 2HD ARG 17 1HD ARG 17 -6.493 -5.795 -1.581 124 HE ARG 17 HE ARG 17 -9.221 -6.558 -0.734 125 1HH1 ARG 17 1HH1 ARG 17 -5.772 -7.158 -0.795 126 2HH1 ARG 17 2HH1 ARG 17 -5.892 -8.669 0.040 127 1HH2 ARG 17 1HH2 ARG 17 -9.390 -8.561 0.333 128 2HH2 ARG 17 2HH2 ARG 17 -7.959 -9.495 0.649 129 H LEU 18 H LEU 18 -5.784 -1.429 0.364 130 HA LEU 18 HA LEU 18 -6.117 -0.538 -2.283 131 1HB LEU 18 2HB LEU 18 -7.078 0.646 -0.413 132 2HB LEU 18 1HB LEU 18 -5.499 0.958 0.271 133 HG LEU 18 HG LEU 18 -6.088 2.077 -2.444 134 1HD1 LEU 18 1HD1 LEU 18 -8.104 2.624 -1.168 135 2HD1 LEU 18 2HD1 LEU 18 -7.130 4.060 -1.477 136 3HD1 LEU 18 3HD1 LEU 18 -7.110 3.306 0.120 137 1HD2 LEU 18 1HD2 LEU 18 -4.560 3.101 -0.045 138 2HD2 LEU 18 2HD2 LEU 18 -4.687 3.914 -1.603 139 3HD2 LEU 18 3HD2 LEU 18 -3.863 2.361 -1.486 140 H LEU 19 H LEU 19 -3.272 -0.938 -0.345 141 HA LEU 19 HA LEU 19 -1.628 0.839 -1.928 142 1HB LEU 19 2HB LEU 19 -1.337 0.601 0.509 143 2HB LEU 19 1HB LEU 19 -0.896 -1.077 0.292 144 HG LEU 19 HG LEU 19 1.124 -0.434 -0.902 145 1HD1 LEU 19 1HD1 LEU 19 1.802 1.941 -1.025 146 2HD1 LEU 19 2HD1 LEU 19 0.190 2.403 -0.475 147 3HD1 LEU 19 3HD1 LEU 19 0.394 1.570 -2.015 148 1HD2 LEU 19 1HD2 LEU 19 1.236 -0.632 1.520 149 2HD2 LEU 19 2HD2 LEU 19 0.812 1.071 1.692 150 3HD2 LEU 19 3HD2 LEU 19 2.340 0.613 0.938 151 H GLN 20 H GLN 20 -2.512 -2.467 -1.947 152 HA GLN 20 HA GLN 20 -0.241 -3.150 -3.697 153 1HB GLN 20 2HB GLN 20 -0.761 -4.540 -1.631 154 2HB GLN 20 1HB GLN 20 -2.221 -5.068 -2.454 155 1HG GLN 20 2HG GLN 20 -0.344 -6.675 -2.616 156 2HG GLN 20 1HG GLN 20 -0.942 -6.128 -4.182 157 1HE2 GLN 20 1HE2 GLN 20 1.644 -5.786 -1.840 158 2HE2 GLN 20 2HE2 GLN 20 2.833 -5.182 -2.945 159 H ASP 21 H ASP 21 -3.556 -2.422 -3.744 160 HA ASP 21 HA ASP 21 -4.160 -3.909 -6.170 161 1HB ASP 21 2HB ASP 21 -5.939 -3.808 -4.561 162 2HB ASP 21 1HB ASP 21 -5.797 -2.060 -4.419 163 HA PRO 22 HA PRO 22 -2.659 -0.545 -8.701 164 1HB PRO 22 2HB PRO 22 -3.650 -1.467 -11.089 165 2HB PRO 22 1HB PRO 22 -2.175 -2.081 -10.333 166 1HG PRO 22 2HG PRO 22 -4.951 -3.216 -10.265 167 2HG PRO 22 1HG PRO 22 -3.406 -4.056 -10.511 168 1HD PRO 22 2HD PRO 22 -4.651 -4.077 -8.129 169 2HD PRO 22 1HD PRO 22 -2.879 -4.013 -8.247 170 H LEU 23 H LEU 23 -6.018 -1.512 -8.460 171 HA LEU 23 HA LEU 23 -7.027 0.743 -9.955 172 1HB LEU 23 2HB LEU 23 -8.106 -1.645 -9.319 173 2HB LEU 23 1HB LEU 23 -8.767 -0.696 -8.004 174 HG LEU 23 HG LEU 23 -9.164 -0.145 -10.956 175 1HD1 LEU 23 1HD1 LEU 23 -11.076 -1.206 -8.874 176 2HD1 LEU 23 2HD1 LEU 23 -10.382 -2.115 -10.217 177 3HD1 LEU 23 3HD1 LEU 23 -11.493 -0.784 -10.536 178 1HD2 LEU 23 1HD2 LEU 23 -9.143 1.923 -9.616 179 2HD2 LEU 23 2HD2 LEU 23 -10.399 1.250 -8.578 180 3HD2 LEU 23 3HD2 LEU 23 -10.739 1.572 -10.276 181 H GLY 24 H GLY 24 -6.910 -0.197 -6.529 182 1HA GLY 24 2HA GLY 24 -7.817 2.185 -5.387 183 2HA GLY 24 1HA GLY 24 -6.716 1.048 -4.617 184 H LEU 25 H LEU 25 -4.461 1.133 -5.904 185 HA LEU 25 HA LEU 25 -3.174 3.484 -5.239 186 1HB LEU 25 2HB LEU 25 -2.464 1.343 -7.232 187 2HB LEU 25 1HB LEU 25 -1.406 2.712 -6.934 188 HG LEU 25 HG LEU 25 -2.249 0.621 -4.921 189 1HD1 LEU 25 1HD1 LEU 25 0.142 0.059 -4.911 190 2HD1 LEU 25 2HD1 LEU 25 0.417 1.236 -6.194 191 3HD1 LEU 25 3HD1 LEU 25 -0.588 -0.181 -6.498 192 1HD2 LEU 25 1HD2 LEU 25 -2.073 2.826 -3.866 193 2HD2 LEU 25 2HD2 LEU 25 -0.460 3.030 -4.550 194 3HD2 LEU 25 3HD2 LEU 25 -0.760 1.765 -3.360 195 H ALA 26 H ALA 26 -4.865 2.692 -8.220 196 HA ALA 26 HA ALA 26 -3.842 4.711 -9.860 197 1HB ALA 26 1HB ALA 26 -5.275 2.906 -10.701 198 2HB ALA 26 2HB ALA 26 -5.883 4.491 -11.178 199 3HB ALA 26 3HB ALA 26 -6.655 3.609 -9.860 200 H TYR 27 H TYR 27 -6.957 4.815 -8.087 201 HA TYR 27 HA TYR 27 -7.235 7.632 -8.504 202 1HB TYR 27 2HB TYR 27 -8.704 5.678 -6.723 203 2HB TYR 27 1HB TYR 27 -9.111 7.390 -6.788 204 HD1 TYR 27 1HD TYR 27 -9.099 4.228 -8.689 205 HD2 TYR 27 2HD TYR 27 -10.256 8.329 -8.691 206 HE1 TYR 27 1HE TYR 27 -10.520 3.824 -10.657 207 HE2 TYR 27 2HE TYR 27 -11.680 7.930 -10.655 208 HH TYR 27 HH TYR 27 -11.835 6.345 -12.515 209 H PHE 28 H PHE 28 -5.898 5.666 -5.952 210 HA PHE 28 HA PHE 28 -5.809 7.653 -3.941 211 1HB PHE 28 2HB PHE 28 -5.592 5.251 -3.455 212 2HB PHE 28 1HB PHE 28 -4.054 5.211 -4.309 213 HD1 PHE 28 1HD PHE 28 -2.146 5.276 -3.017 214 HD2 PHE 28 2HD PHE 28 -5.689 7.134 -1.544 215 HE1 PHE 28 1HE PHE 28 -0.991 5.816 -0.916 216 HE2 PHE 28 2HE PHE 28 -4.530 7.680 0.556 217 HZ PHE 28 HZ PHE 28 -2.178 7.019 0.875 218 H THR 29 H THR 29 -3.411 6.581 -6.349 219 HA THR 29 HA THR 29 -1.368 8.335 -5.435 220 HB THR 29 HB THR 29 -1.046 6.225 -6.885 221 HG1 THR 29 1HG THR 29 0.896 7.020 -7.069 222 1HG2 THR 29 1HG2 THR 29 -0.962 6.594 -9.309 223 2HG2 THR 29 2HG2 THR 29 -1.612 8.218 -9.093 224 3HG2 THR 29 3HG2 THR 29 -2.600 6.813 -8.694 225 H GLU 30 H GLU 30 -4.017 8.626 -7.704 226 HA GLU 30 HA GLU 30 -3.235 11.000 -8.989 227 1HB GLU 30 2HB GLU 30 -5.965 9.846 -8.382 228 2HB GLU 30 1HB GLU 30 -5.744 11.306 -9.334 229 1HG GLU 30 2HG GLU 30 -4.746 8.545 -10.005 230 2HG GLU 30 1HG GLU 30 -6.045 9.428 -10.804 231 H PHE 31 H PHE 31 -5.223 10.484 -6.095 232 HA PHE 31 HA PHE 31 -5.555 13.259 -5.502 233 1HB PHE 31 2HB PHE 31 -7.074 11.419 -4.721 234 2HB PHE 31 1HB PHE 31 -5.797 10.863 -3.648 235 HD1 PHE 31 1HD PHE 31 -5.389 11.943 -1.555 236 HD2 PHE 31 2HD PHE 31 -8.167 13.605 -4.327 237 HE1 PHE 31 1HE PHE 31 -6.214 13.471 0.188 238 HE2 PHE 31 2HE PHE 31 -8.993 15.133 -2.590 239 HZ PHE 31 HZ PHE 31 -8.015 15.069 -0.328 240 H LEU 32 H LEU 32 -3.286 10.760 -4.546 241 HA LEU 32 HA LEU 32 -2.022 12.264 -2.472 242 1HB LEU 32 2HB LEU 32 -2.120 9.774 -2.597 243 2HB LEU 32 1HB LEU 32 -1.028 9.828 -3.966 244 HG LEU 32 HG LEU 32 0.738 10.753 -2.538 245 1HD1 LEU 32 1HD1 LEU 32 -0.671 11.966 -0.943 246 2HD1 LEU 32 2HD1 LEU 32 0.482 10.907 -0.136 247 3HD1 LEU 32 3HD1 LEU 32 -1.213 10.431 -0.260 248 1HD2 LEU 32 1HD2 LEU 32 0.567 8.331 -2.792 249 2HD2 LEU 32 2HD2 LEU 32 -0.519 8.252 -1.404 250 3HD2 LEU 32 3HD2 LEU 32 1.156 8.757 -1.185 251 H LYS 33 H LYS 33 -1.536 11.905 -5.918 252 HA LYS 33 HA LYS 33 1.031 13.248 -5.920 253 1HB LYS 33 2HB LYS 33 0.332 11.532 -7.654 254 2HB LYS 33 1HB LYS 33 -0.782 12.731 -8.295 255 1HG LYS 33 2HG LYS 33 1.178 12.766 -9.647 256 2HG LYS 33 1HG LYS 33 1.180 14.241 -8.677 257 1HD LYS 33 2HD LYS 33 2.751 13.174 -7.094 258 2HD LYS 33 1HD LYS 33 2.769 11.728 -8.102 259 1HE LYS 33 2HE LYS 33 3.636 13.120 -9.978 260 2HE LYS 33 1HE LYS 33 3.735 14.485 -8.867 261 1HZ LYS 33 1HZ LYS 33 5.223 13.056 -7.473 262 2HZ LYS 33 2HZ LYS 33 5.867 13.508 -8.971 263 3HZ LYS 33 3HZ LYS 33 5.262 11.948 -8.749 264 H LYS 34 H LYS 34 -2.330 14.055 -6.174 265 HA LYS 34 HA LYS 34 -2.223 16.615 -7.277 266 1HB LYS 34 2HB LYS 34 -4.307 15.335 -6.743 267 2HB LYS 34 1HB LYS 34 -4.029 15.653 -5.038 268 1HG LYS 34 2HG LYS 34 -5.674 17.188 -5.818 269 2HG LYS 34 1HG LYS 34 -4.185 18.093 -5.530 270 1HD LYS 34 2HD LYS 34 -3.684 18.060 -7.923 271 2HD LYS 34 1HD LYS 34 -5.136 17.104 -8.227 272 1HE LYS 34 2HE LYS 34 -6.501 18.961 -7.325 273 2HE LYS 34 1HE LYS 34 -5.032 19.921 -7.142 274 1HZ LYS 34 1HZ LYS 34 -6.040 20.545 -9.173 275 2HZ LYS 34 2HZ LYS 34 -6.245 18.941 -9.663 276 3HZ LYS 34 3HZ LYS 34 -4.692 19.608 -9.586 277 H GLU 35 H GLU 35 -1.820 15.517 -3.940 278 HA GLU 35 HA GLU 35 -1.084 18.166 -3.000 279 1HB GLU 35 2HB GLU 35 -1.036 15.494 -1.571 280 2HB GLU 35 1HB GLU 35 -0.819 17.066 -0.813 281 1HG GLU 35 2HG GLU 35 -3.317 16.053 -2.166 282 2HG GLU 35 1HG GLU 35 -3.061 16.242 -0.431 283 H PHE 36 H PHE 36 0.466 16.091 -4.853 284 HA PHE 36 HA PHE 36 2.574 15.448 -5.326 285 1HB PHE 36 2HB PHE 36 2.838 17.908 -5.510 286 2HB PHE 36 1HB PHE 36 3.318 17.971 -3.818 287 HD1 PHE 36 1HD PHE 36 4.256 15.964 -6.836 288 HD2 PHE 36 2HD PHE 36 5.584 18.244 -3.488 289 HE1 PHE 36 1HE PHE 36 6.591 15.578 -7.502 290 HE2 PHE 36 2HE PHE 36 7.921 17.858 -4.153 291 HZ PHE 36 HZ PHE 36 8.427 16.524 -6.161 292 H SER 37 H SER 37 1.965 13.727 -3.702 293 HA SER 37 HA SER 37 4.246 13.362 -1.954 294 1HB SER 37 2HB SER 37 2.666 12.674 -0.041 295 2HB SER 37 1HB SER 37 2.842 14.402 -0.348 296 HG SER 37 HG SER 37 0.901 14.036 -1.768 297 H ALA 38 H ALA 38 2.771 12.206 -4.396 298 HA ALA 38 HA ALA 38 1.783 9.637 -3.688 299 1HB ALA 38 1HB ALA 38 1.182 10.724 -5.794 300 2HB ALA 38 2HB ALA 38 1.902 9.139 -6.079 301 3HB ALA 38 3HB ALA 38 2.854 10.600 -6.341 302 H GLU 39 H GLU 39 4.859 10.907 -3.739 303 HA GLU 39 HA GLU 39 6.362 8.710 -4.720 304 1HB GLU 39 2HB GLU 39 7.151 11.049 -2.972 305 2HB GLU 39 1HB GLU 39 8.292 9.888 -3.636 306 1HG GLU 39 2HG GLU 39 8.280 11.877 -4.995 307 2HG GLU 39 1HG GLU 39 7.602 10.534 -5.913 308 H ASN 40 H ASN 40 4.752 9.294 -1.784 309 HA ASN 40 HA ASN 40 6.273 7.748 0.010 310 1HB ASN 40 2HB ASN 40 3.297 8.307 -0.094 311 2HB ASN 40 1HB ASN 40 4.083 7.475 1.244 312 1HD2 ASN 40 1HD2 ASN 40 2.636 10.050 1.111 313 2HD2 ASN 40 2HD2 ASN 40 3.731 11.220 1.755 314 H VAL 41 H VAL 41 3.558 6.825 -2.126 315 HA VAL 41 HA VAL 41 3.737 4.057 -1.369 316 HB VAL 41 HB VAL 41 2.064 3.582 -3.025 317 1HG1 VAL 41 1HG1 VAL 41 1.269 4.635 -0.981 318 2HG1 VAL 41 2HG1 VAL 41 0.271 5.116 -2.352 319 3HG1 VAL 41 3HG1 VAL 41 1.471 6.232 -1.702 320 1HG2 VAL 41 1HG2 VAL 41 2.932 4.870 -4.902 321 2HG2 VAL 41 2HG2 VAL 41 2.499 6.377 -4.095 322 3HG2 VAL 41 3HG2 VAL 41 1.236 5.264 -4.621 323 H THR 42 H THR 42 4.924 6.054 -4.013 324 HA THR 42 HA THR 42 6.007 4.046 -5.637 325 HB THR 42 HB THR 42 7.176 6.806 -5.160 326 HG1 THR 42 1HG THR 42 5.525 6.395 -7.347 327 1HG2 THR 42 1HG2 THR 42 7.308 4.962 -7.559 328 2HG2 THR 42 2HG2 THR 42 8.636 5.319 -6.454 329 3HG2 THR 42 3HG2 THR 42 7.975 6.594 -7.476 330 H PHE 43 H PHE 43 7.312 5.751 -2.825 331 HA PHE 43 HA PHE 43 9.874 4.591 -2.790 332 1HB PHE 43 2HB PHE 43 9.365 6.575 -1.475 333 2HB PHE 43 1HB PHE 43 8.169 5.692 -0.537 334 HD1 PHE 43 1HD PHE 43 11.811 5.744 -1.330 335 HD2 PHE 43 2HD PHE 43 8.780 4.698 1.479 336 HE1 PHE 43 1HE PHE 43 13.542 5.181 0.327 337 HE2 PHE 43 2HE PHE 43 10.508 4.134 3.137 338 HZ PHE 43 HZ PHE 43 12.891 4.376 2.562 339 H TRP 44 H TRP 44 6.825 3.646 -1.241 340 HA TRP 44 HA TRP 44 7.754 1.418 0.172 341 1HB TRP 44 2HB TRP 44 5.500 2.427 0.471 342 2HB TRP 44 1HB TRP 44 5.022 1.791 -1.099 343 HD1 TRP 44 HD TRP 44 5.981 0.557 2.432 344 HE1 TRP 44 1HE TRP 44 4.926 -1.761 2.791 345 HE3 TRP 44 3HE TRP 44 4.060 -0.201 -2.238 346 HZ2 TRP 44 2HZ TRP 44 3.473 -3.661 1.298 347 HZ3 TRP 44 3HZ TRP 44 2.846 -2.292 -2.695 348 HH2 TRP 44 HH TRP 44 2.560 -3.986 -0.961 349 H LYS 45 H LYS 45 6.419 1.656 -3.115 350 HA LYS 45 HA LYS 45 6.750 -1.141 -3.642 351 1HB LYS 45 2HB LYS 45 6.276 1.080 -5.642 352 2HB LYS 45 1HB LYS 45 6.013 -0.642 -5.895 353 1HG LYS 45 2HG LYS 45 4.315 -0.520 -4.014 354 2HG LYS 45 1HG LYS 45 4.457 1.232 -4.131 355 1HD LYS 45 2HD LYS 45 2.705 0.939 -5.556 356 2HD LYS 45 1HD LYS 45 4.018 0.700 -6.711 357 1HE LYS 45 2HE LYS 45 2.444 -1.443 -5.273 358 2HE LYS 45 1HE LYS 45 2.356 -1.040 -6.984 359 1HZ LYS 45 1HZ LYS 45 4.690 -2.216 -5.565 360 2HZ LYS 45 2HZ LYS 45 4.691 -1.741 -7.186 361 3HZ LYS 45 3HZ LYS 45 3.684 -2.996 -6.676 362 H ALA 46 H ALA 46 8.776 1.643 -3.906 363 HA ALA 46 HA ALA 46 10.642 0.580 -5.784 364 1HB ALA 46 1HB ALA 46 11.042 2.682 -3.642 365 2HB ALA 46 2HB ALA 46 10.546 2.979 -5.308 366 3HB ALA 46 3HB ALA 46 12.155 2.342 -4.969 367 H CYS 47 H CYS 47 10.512 0.724 -2.245 368 HA CYS 47 HA CYS 47 12.835 -0.834 -1.785 369 1HB CYS 47 2HB CYS 47 10.424 -0.428 0.008 370 2HB CYS 47 1HB CYS 47 12.007 -1.009 0.518 371 HG CYS 47 HG CYS 47 11.060 2.142 -0.319 372 H GLU 48 H GLU 48 9.426 -1.571 -2.200 373 HA GLU 48 HA GLU 48 9.465 -4.329 -1.681 374 1HB GLU 48 2HB GLU 48 7.372 -3.138 -1.922 375 2HB GLU 48 1HB GLU 48 7.775 -2.663 -3.563 376 1HG GLU 48 2HG GLU 48 7.741 -5.126 -4.149 377 2HG GLU 48 1HG GLU 48 7.034 -5.398 -2.556 378 H ARG 49 H ARG 49 9.894 -2.530 -4.709 379 HA ARG 49 HA ARG 49 10.398 -4.692 -6.415 380 1HB ARG 49 2HB ARG 49 9.873 -2.493 -7.279 381 2HB ARG 49 1HB ARG 49 11.308 -1.807 -6.534 382 1HG ARG 49 2HG ARG 49 12.733 -3.058 -8.040 383 2HG ARG 49 1HG ARG 49 11.326 -3.861 -8.741 384 1HD ARG 49 2HD ARG 49 11.836 -0.881 -8.813 385 2HD ARG 49 1HD ARG 49 12.173 -1.997 -10.137 386 HE ARG 49 HE ARG 49 9.517 -2.374 -9.478 387 1HH1 ARG 49 1HH1 ARG 49 11.450 0.343 -10.566 388 2HH1 ARG 49 2HH1 ARG 49 10.150 1.047 -11.476 389 1HH2 ARG 49 1HH2 ARG 49 7.822 -1.433 -10.673 390 2HH2 ARG 49 2HH2 ARG 49 8.104 0.050 -11.535 391 H PHE 50 H PHE 50 12.465 -2.840 -4.299 392 HA PHE 50 HA PHE 50 14.970 -3.726 -5.204 393 1HB PHE 50 2HB PHE 50 14.286 -1.826 -3.527 394 2HB PHE 50 1HB PHE 50 14.421 -3.088 -2.310 395 HD1 PHE 50 1HD PHE 50 16.463 -3.339 -1.248 396 HD2 PHE 50 2HD PHE 50 16.366 -1.645 -5.155 397 HE1 PHE 50 1HE PHE 50 18.880 -2.905 -1.120 398 HE2 PHE 50 2HE PHE 50 18.784 -1.214 -5.030 399 HZ PHE 50 HZ PHE 50 20.043 -1.843 -3.011 400 H GLN 51 H GLN 51 12.540 -5.211 -3.209 401 HA GLN 51 HA GLN 51 14.198 -7.216 -2.014 402 1HB GLN 51 2HB GLN 51 11.196 -7.324 -2.426 403 2HB GLN 51 1HB GLN 51 12.138 -8.234 -1.252 404 1HG GLN 51 2HG GLN 51 11.707 -5.252 -1.269 405 2HG GLN 51 1HG GLN 51 10.936 -6.413 -0.192 406 1HE2 GLN 51 1HE2 GLN 51 12.654 -4.087 0.346 407 2HE2 GLN 51 2HE2 GLN 51 13.975 -4.686 1.286 408 H GLN 52 H GLN 52 12.662 -6.855 -5.089 409 HA GLN 52 HA GLN 52 12.562 -9.655 -5.718 410 1HB GLN 52 2HB GLN 52 12.166 -7.148 -7.331 411 2HB GLN 52 1HB GLN 52 12.320 -8.703 -8.136 412 1HG GLN 52 2HG GLN 52 10.007 -8.267 -7.891 413 2HG GLN 52 1HG GLN 52 10.418 -9.530 -6.736 414 1HE2 GLN 52 1HE2 GLN 52 10.459 -9.018 -4.512 415 2HE2 GLN 52 2HE2 GLN 52 9.661 -7.612 -3.898 416 H ILE 53 H ILE 53 15.064 -7.408 -5.527 417 HA ILE 53 HA ILE 53 16.781 -8.751 -7.454 418 HB ILE 53 HB ILE 53 17.553 -6.697 -5.354 419 1HG1 ILE 53 2HG1 ILE 53 16.865 -6.267 -8.283 420 2HG1 ILE 53 1HG1 ILE 53 15.852 -5.797 -6.921 421 1HG2 ILE 53 1HG2 ILE 53 18.984 -7.639 -7.848 422 2HG2 ILE 53 2HG2 ILE 53 19.438 -8.007 -6.184 423 3HG2 ILE 53 3HG2 ILE 53 19.533 -6.349 -6.778 424 1HD1 ILE 53 1HD1 ILE 53 17.042 -3.887 -7.815 425 2HD1 ILE 53 2HD1 ILE 53 18.585 -4.702 -7.560 426 3HD1 ILE 53 3HD1 ILE 53 17.593 -4.240 -6.177 427 HA PRO 54 HA PRO 54 17.475 -12.048 -4.550 428 1HB PRO 54 2HB PRO 54 19.796 -13.048 -5.700 429 2HB PRO 54 1HB PRO 54 18.156 -13.441 -6.223 430 1HG PRO 54 2HG PRO 54 20.074 -11.434 -7.347 431 2HG PRO 54 1HG PRO 54 18.988 -12.547 -8.201 432 1HD PRO 54 2HD PRO 54 18.370 -9.956 -7.932 433 2HD PRO 54 1HD PRO 54 17.115 -11.210 -7.821 434 H ALA 55 H ALA 55 20.644 -10.808 -5.587 435 HA ALA 55 HA ALA 55 21.412 -9.304 -3.435 436 1HB ALA 55 1HB ALA 55 22.176 -12.200 -2.963 437 2HB ALA 55 2HB ALA 55 21.051 -11.256 -1.986 438 3HB ALA 55 3HB ALA 55 22.757 -10.817 -2.035 439 H SER 56 H SER 56 22.425 -11.924 -5.566 440 HA SER 56 HA SER 56 25.143 -11.442 -5.765 441 1HB SER 56 2HB SER 56 23.316 -12.411 -7.980 442 2HB SER 56 1HB SER 56 25.054 -12.689 -7.861 443 HG SER 56 HG SER 56 24.224 -14.490 -7.013 444 H ASP 57 H ASP 57 22.493 -9.792 -7.340 445 HA ASP 57 HA ASP 57 24.130 -8.342 -9.200 446 1HB ASP 57 2HB ASP 57 21.236 -8.118 -8.361 447 2HB ASP 57 1HB ASP 57 21.974 -6.964 -9.464 448 H THR 58 H THR 58 25.571 -7.782 -7.218 449 HA THR 58 HA THR 58 24.805 -5.806 -5.383 450 HB THR 58 HB THR 58 27.588 -6.241 -6.508 451 HG1 THR 58 1HG THR 58 27.716 -7.975 -5.271 452 1HG2 THR 58 1HG2 THR 58 27.372 -4.200 -5.156 453 2HG2 THR 58 2HG2 THR 58 28.337 -5.414 -4.317 454 3HG2 THR 58 3HG2 THR 58 26.661 -5.139 -3.843 455 H GLN 59 H GLN 59 26.128 -5.593 -8.647 456 HA GLN 59 HA GLN 59 26.542 -2.812 -8.738 457 1HB GLN 59 2HB GLN 59 26.511 -3.067 -11.183 458 2HB GLN 59 1HB GLN 59 27.471 -4.327 -10.423 459 1HG GLN 59 2HG GLN 59 25.649 -5.919 -10.701 460 2HG GLN 59 1HG GLN 59 24.636 -4.659 -11.403 461 1HE2 GLN 59 1HE2 GLN 59 27.322 -6.791 -11.909 462 2HE2 GLN 59 2HE2 GLN 59 27.455 -6.553 -13.615 463 H GLN 60 H GLN 60 23.717 -4.806 -9.410 464 HA GLN 60 HA GLN 60 22.065 -2.730 -10.432 465 1HB GLN 60 2HB GLN 60 21.804 -5.298 -10.653 466 2HB GLN 60 1HB GLN 60 21.066 -5.230 -9.061 467 1HG GLN 60 2HG GLN 60 19.329 -5.247 -10.685 468 2HG GLN 60 1HG GLN 60 19.387 -3.634 -9.974 469 1HE2 GLN 60 1HE2 GLN 60 20.023 -1.898 -11.236 470 2HE2 GLN 60 2HE2 GLN 60 20.194 -2.005 -12.956 471 H LEU 61 H LEU 61 22.407 -4.289 -7.278 472 HA LEU 61 HA LEU 61 20.532 -2.854 -5.808 473 1HB LEU 61 2HB LEU 61 23.220 -3.964 -4.966 474 2HB LEU 61 1HB LEU 61 22.020 -3.355 -3.841 475 HG LEU 61 HG LEU 61 21.545 -5.691 -5.703 476 1HD1 LEU 61 1HD1 LEU 61 22.295 -5.703 -2.777 477 2HD1 LEU 61 2HD1 LEU 61 23.315 -6.233 -4.115 478 3HD1 LEU 61 3HD1 LEU 61 21.835 -7.112 -3.734 479 1HD2 LEU 61 1HD2 LEU 61 19.625 -6.123 -4.245 480 2HD2 LEU 61 2HD2 LEU 61 19.509 -4.539 -5.008 481 3HD2 LEU 61 3HD2 LEU 61 19.996 -4.668 -3.318 482 H ALA 62 H ALA 62 23.923 -2.129 -6.512 483 HA ALA 62 HA ALA 62 24.178 0.183 -4.953 484 1HB ALA 62 1HB ALA 62 25.625 -0.509 -7.513 485 2HB ALA 62 2HB ALA 62 26.088 -1.032 -5.894 486 3HB ALA 62 3HB ALA 62 26.140 0.680 -6.315 487 H GLN 63 H GLN 63 22.983 -0.294 -8.229 488 HA GLN 63 HA GLN 63 22.843 2.465 -8.915 489 1HB GLN 63 2HB GLN 63 21.424 0.047 -10.059 490 2HB GLN 63 1HB GLN 63 21.328 1.662 -10.752 491 1HG GLN 63 2HG GLN 63 23.755 1.642 -11.119 492 2HG GLN 63 1HG GLN 63 23.837 0.018 -10.440 493 1HE2 GLN 63 1HE2 GLN 63 22.781 1.950 -13.137 494 2HE2 GLN 63 2HE2 GLN 63 22.536 0.639 -14.238 495 H GLU 64 H GLU 64 20.227 0.140 -8.156 496 HA GLU 64 HA GLU 64 18.210 2.086 -8.060 497 1HB GLU 64 2HB GLU 64 18.418 -0.760 -7.168 498 2HB GLU 64 1HB GLU 64 17.063 0.194 -6.578 499 1HG GLU 64 2HG GLU 64 16.486 -1.082 -8.582 500 2HG GLU 64 1HG GLU 64 16.344 0.654 -8.840 501 H ALA 65 H ALA 65 20.258 0.781 -5.479 502 HA ALA 65 HA ALA 65 18.922 1.970 -3.308 503 1HB ALA 65 1HB ALA 65 20.999 1.663 -2.054 504 2HB ALA 65 2HB ALA 65 21.873 1.353 -3.554 505 3HB ALA 65 3HB ALA 65 20.626 0.228 -3.010 506 H ARG 66 H ARG 66 21.614 3.136 -5.312 507 HA ARG 66 HA ARG 66 21.905 5.613 -3.954 508 1HB ARG 66 2HB ARG 66 23.698 4.644 -5.340 509 2HB ARG 66 1HB ARG 66 22.710 4.863 -6.779 510 1HG ARG 66 2HG ARG 66 22.777 7.280 -6.478 511 2HG ARG 66 1HG ARG 66 23.723 7.083 -5.002 512 1HD ARG 66 2HD ARG 66 25.134 7.686 -6.912 513 2HD ARG 66 1HD ARG 66 25.543 6.095 -6.277 514 HE ARG 66 HE ARG 66 24.821 5.129 -8.241 515 1HH1 ARG 66 1HH1 ARG 66 23.828 8.499 -8.198 516 2HH1 ARG 66 2HH1 ARG 66 23.518 8.551 -9.905 517 1HH2 ARG 66 1HH2 ARG 66 24.380 5.196 -10.469 518 2HH2 ARG 66 2HH2 ARG 66 23.805 6.668 -11.193 519 H ASN 67 H ASN 67 20.001 4.537 -6.701 520 HA ASN 67 HA ASN 67 19.054 7.008 -7.611 521 1HB ASN 67 2HB ASN 67 18.686 4.860 -8.809 522 2HB ASN 67 1HB ASN 67 17.551 4.369 -7.554 523 1HD2 ASN 67 1HD2 ASN 67 15.535 5.438 -7.409 524 2HD2 ASN 67 2HD2 ASN 67 14.899 6.361 -8.725 525 H ILE 68 H ILE 68 17.519 4.720 -5.351 526 HA ILE 68 HA ILE 68 15.357 6.290 -4.583 527 HB ILE 68 HB ILE 68 16.880 4.262 -2.921 528 1HG1 ILE 68 2HG1 ILE 68 14.370 3.963 -4.603 529 2HG1 ILE 68 1HG1 ILE 68 15.967 3.368 -5.038 530 1HG2 ILE 68 1HG2 ILE 68 15.525 5.704 -1.488 531 2HG2 ILE 68 2HG2 ILE 68 14.842 4.081 -1.563 532 3HG2 ILE 68 3HG2 ILE 68 14.106 5.389 -2.489 533 1HD1 ILE 68 1HD1 ILE 68 15.925 1.862 -3.111 534 2HD1 ILE 68 2HD1 ILE 68 14.569 1.578 -4.203 535 3HD1 ILE 68 3HD1 ILE 68 14.316 2.452 -2.693 536 H TYR 69 H TYR 69 18.661 6.212 -3.349 537 HA TYR 69 HA TYR 69 18.325 7.908 -1.145 538 1HB TYR 69 2HB TYR 69 20.362 6.555 -1.534 539 2HB TYR 69 1HB TYR 69 20.778 7.579 -2.902 540 HD1 TYR 69 1HD TYR 69 20.922 7.204 0.695 541 HD2 TYR 69 2HD TYR 69 21.355 9.997 -2.493 542 HE1 TYR 69 1HE TYR 69 22.147 8.723 2.198 543 HE2 TYR 69 2HE TYR 69 22.568 11.520 -1.007 544 HH TYR 69 HH TYR 69 23.705 10.557 2.082 545 H GLN 70 H GLN 70 19.571 8.747 -4.394 546 HA GLN 70 HA GLN 70 19.606 11.536 -3.782 547 1HB GLN 70 2HB GLN 70 20.044 10.004 -6.344 548 2HB GLN 70 1HB GLN 70 20.156 11.757 -6.251 549 1HG GLN 70 2HG GLN 70 21.969 11.581 -4.639 550 2HG GLN 70 1HG GLN 70 21.841 9.823 -4.658 551 1HE2 GLN 70 1HE2 GLN 70 22.828 12.651 -6.436 552 2HE2 GLN 70 2HE2 GLN 70 23.747 11.827 -7.643 553 H GLU 71 H GLU 71 17.128 9.464 -4.865 554 HA GLU 71 HA GLU 71 15.708 11.634 -6.236 555 1HB GLU 71 2HB GLU 71 15.952 9.460 -7.390 556 2HB GLU 71 1HB GLU 71 15.054 8.681 -6.096 557 1HG GLU 71 2HG GLU 71 13.050 9.803 -6.689 558 2HG GLU 71 1HG GLU 71 13.904 10.896 -7.779 559 H PHE 72 H PHE 72 15.421 9.519 -3.418 560 HA PHE 72 HA PHE 72 12.918 10.920 -2.689 561 1HB PHE 72 2HB PHE 72 13.754 8.091 -2.004 562 2HB PHE 72 1HB PHE 72 12.302 8.881 -1.409 563 HD1 PHE 72 1HD PHE 72 10.476 9.465 -3.009 564 HD2 PHE 72 2HD PHE 72 13.824 7.094 -4.151 565 HE1 PHE 72 1HE PHE 72 9.228 8.643 -4.965 566 HE2 PHE 72 2HE PHE 72 12.583 6.274 -6.109 567 HZ PHE 72 HZ PHE 72 10.281 7.051 -6.517 568 H LEU 73 H LEU 73 16.146 10.184 -1.660 569 HA LEU 73 HA LEU 73 15.417 10.739 1.152 570 1HB LEU 73 2HB LEU 73 17.751 9.114 0.144 571 2HB LEU 73 1HB LEU 73 17.279 9.333 1.820 572 HG LEU 73 HG LEU 73 15.636 7.902 -0.281 573 1HD1 LEU 73 1HD1 LEU 73 16.194 5.865 0.937 574 2HD1 LEU 73 2HD1 LEU 73 17.238 6.787 2.020 575 3HD1 LEU 73 3HD1 LEU 73 17.642 6.650 0.309 576 1HD2 LEU 73 1HD2 LEU 73 14.234 7.205 1.607 577 2HD2 LEU 73 2HD2 LEU 73 14.232 8.956 1.401 578 3HD2 LEU 73 3HD2 LEU 73 15.187 8.221 2.689 579 H SER 74 H SER 74 17.143 12.016 -1.452 580 HA SER 74 HA SER 74 19.326 13.131 0.059 581 1HB SER 74 2HB SER 74 19.631 12.610 -2.308 582 2HB SER 74 1HB SER 74 18.360 13.749 -2.746 583 HG SER 74 HG SER 74 20.926 14.246 -2.439 584 H SER 75 H SER 75 19.713 15.379 0.382 585 HA SER 75 HA SER 75 17.551 16.767 1.549 586 1HB SER 75 2HB SER 75 19.924 16.989 2.260 587 2HB SER 75 1HB SER 75 20.282 17.825 0.750 588 HG SER 75 HG SER 75 19.848 19.165 2.658 589 H GLN 76 H GLN 76 18.852 16.722 -1.651 590 HA GLN 76 HA GLN 76 17.053 18.928 -2.447 591 1HB GLN 76 2HB GLN 76 19.648 18.040 -3.744 592 2HB GLN 76 1HB GLN 76 18.578 19.286 -4.377 593 1HG GLN 76 2HG GLN 76 18.955 20.625 -2.353 594 2HG GLN 76 1HG GLN 76 20.049 19.384 -1.747 595 1HE2 GLN 76 1HE2 GLN 76 21.183 18.855 -4.396 596 2HE2 GLN 76 2HE2 GLN 76 22.220 20.189 -4.745 597 H ALA 77 H ALA 77 16.603 15.989 -2.145 598 HA ALA 77 HA ALA 77 16.488 14.753 -4.689 599 1HB ALA 77 1HB ALA 77 15.062 13.090 -3.587 600 2HB ALA 77 2HB ALA 77 14.922 14.144 -2.179 601 3HB ALA 77 3HB ALA 77 16.488 13.463 -2.620 602 H LEU 78 H LEU 78 14.346 13.948 -5.600 603 HA LEU 78 HA LEU 78 12.804 16.106 -6.511 604 1HB LEU 78 2HB LEU 78 12.277 13.129 -6.508 605 2HB LEU 78 1HB LEU 78 11.171 14.274 -7.238 606 HG LEU 78 HG LEU 78 12.976 14.990 -8.792 607 1HD1 LEU 78 1HD1 LEU 78 14.922 14.419 -7.451 608 2HD1 LEU 78 2HD1 LEU 78 14.989 13.617 -9.020 609 3HD1 LEU 78 3HD1 LEU 78 14.531 12.704 -7.580 610 1HD2 LEU 78 1HD2 LEU 78 12.918 12.978 -10.193 611 2HD2 LEU 78 2HD2 LEU 78 11.341 13.326 -9.488 612 3HD2 LEU 78 3HD2 LEU 78 12.340 12.037 -8.817 613 H SER 79 H SER 79 11.995 13.530 -4.210 614 HA SER 79 HA SER 79 10.300 15.386 -2.720 615 1HB SER 79 2HB SER 79 9.339 12.652 -3.613 616 2HB SER 79 1HB SER 79 8.435 13.822 -2.652 617 HG SER 79 HG SER 79 7.730 14.146 -4.682 618 HA PRO 80 HA PRO 80 12.883 13.043 0.263 619 1HB PRO 80 2HB PRO 80 11.979 15.281 1.994 620 2HB PRO 80 1HB PRO 80 13.614 14.681 1.694 621 1HG PRO 80 2HG PRO 80 12.790 17.004 0.653 622 2HG PRO 80 1HG PRO 80 13.855 15.915 -0.258 623 1HD PRO 80 2HD PRO 80 10.892 16.332 -0.528 624 2HD PRO 80 1HD PRO 80 12.123 16.143 -1.796 625 H VAL 81 H VAL 81 11.540 11.297 0.548 626 HA VAL 81 HA VAL 81 8.890 11.400 1.488 627 HB VAL 81 HB VAL 81 9.098 8.971 1.904 628 1HG1 VAL 81 1HG1 VAL 81 10.322 9.888 -0.706 629 2HG1 VAL 81 2HG1 VAL 81 8.600 9.765 -0.347 630 3HG1 VAL 81 3HG1 VAL 81 9.592 8.309 -0.409 631 1HG2 VAL 81 1HG2 VAL 81 11.216 7.814 1.404 632 2HG2 VAL 81 2HG2 VAL 81 11.376 8.906 2.780 633 3HG2 VAL 81 3HG2 VAL 81 12.016 9.374 1.204 634 H ASN 82 H ASN 82 7.975 11.136 3.494 635 HA ASN 82 HA ASN 82 9.569 12.066 5.696 636 1HB ASN 82 2HB ASN 82 7.230 12.828 5.369 637 2HB ASN 82 1HB ASN 82 6.666 11.188 5.684 638 1HD2 ASN 82 1HD2 ASN 82 5.491 11.740 7.506 639 2HD2 ASN 82 2HD2 ASN 82 6.237 12.221 8.990 640 H ILE 83 H ILE 83 11.024 10.491 6.215 641 HA ILE 83 HA ILE 83 9.910 8.194 7.683 642 HB ILE 83 HB ILE 83 11.803 6.780 6.971 643 1HG1 ILE 83 2HG1 ILE 83 12.472 9.069 5.085 644 2HG1 ILE 83 1HG1 ILE 83 13.420 8.591 6.488 645 1HG2 ILE 83 1HG2 ILE 83 11.085 6.349 4.667 646 2HG2 ILE 83 2HG2 ILE 83 10.224 7.888 4.650 647 3HG2 ILE 83 3HG2 ILE 83 9.714 6.605 5.748 648 1HD1 ILE 83 1HD1 ILE 83 14.406 7.784 4.427 649 2HD1 ILE 83 2HD1 ILE 83 12.923 6.909 4.044 650 3HD1 ILE 83 3HD1 ILE 83 13.887 6.443 5.446 651 H ASP 84 H ASP 84 12.380 7.243 8.644 652 HA ASP 84 HA ASP 84 12.980 9.261 10.637 653 1HB ASP 84 2HB ASP 84 14.344 7.468 11.673 654 2HB ASP 84 1HB ASP 84 12.698 6.936 11.342 655 H ARG 85 H ARG 85 13.727 10.223 8.236 656 HA ARG 85 HA ARG 85 16.302 9.432 7.324 657 1HB ARG 85 2HB ARG 85 14.510 10.443 5.912 658 2HB ARG 85 1HB ARG 85 14.777 11.978 6.724 659 1HG ARG 85 2HG ARG 85 17.075 12.029 5.863 660 2HG ARG 85 1HG ARG 85 16.797 10.491 5.043 661 1HD ARG 85 2HD ARG 85 16.548 12.299 3.460 662 2HD ARG 85 1HD ARG 85 14.976 11.552 3.744 663 HE ARG 85 HE ARG 85 15.853 14.136 4.882 664 1HH1 ARG 85 1HH1 ARG 85 13.295 11.987 3.799 665 2HH1 ARG 85 2HH1 ARG 85 12.048 13.173 4.009 666 1HH2 ARG 85 1HH2 ARG 85 14.214 15.687 5.129 667 2HH2 ARG 85 2HH2 ARG 85 12.568 15.268 4.761 668 H GLN 86 H GLN 86 15.343 11.317 9.944 669 HA GLN 86 HA GLN 86 17.501 13.157 10.071 670 1HB GLN 86 2HB GLN 86 15.798 11.966 12.280 671 2HB GLN 86 1HB GLN 86 16.980 13.240 12.532 672 1HG GLN 86 2HG GLN 86 15.058 14.464 12.370 673 2HG GLN 86 1HG GLN 86 15.605 14.497 10.699 674 1HE2 GLN 86 1HE2 GLN 86 12.941 14.869 11.760 675 2HE2 GLN 86 2HE2 GLN 86 11.943 13.659 11.030 676 H ALA 87 H ALA 87 17.114 9.803 10.783 677 HA ALA 87 HA ALA 87 19.944 9.637 11.608 678 1HB ALA 87 1HB ALA 87 17.686 7.786 12.401 679 2HB ALA 87 2HB ALA 87 18.436 8.998 13.440 680 3HB ALA 87 3HB ALA 87 19.379 7.619 12.871 681 H TRP 88 H TRP 88 17.383 7.489 10.347 682 HA TRP 88 HA TRP 88 17.360 5.894 8.746 683 1HB TRP 88 2HB TRP 88 17.628 8.046 7.412 684 2HB TRP 88 1HB TRP 88 19.340 7.658 7.279 685 HD1 TRP 88 HD TRP 88 16.040 5.710 6.575 686 HE1 TRP 88 1HE TRP 88 16.320 4.469 4.339 687 HE3 TRP 88 3HE TRP 88 20.793 7.195 5.398 688 HZ2 TRP 88 2HZ TRP 88 18.281 4.173 2.339 689 HZ3 TRP 88 3HZ TRP 88 21.789 6.392 3.295 690 HH2 TRP 88 HH TRP 88 20.554 4.911 1.799 691 H LEU 89 H LEU 89 19.091 4.650 7.107 692 HA LEU 89 HA LEU 89 20.840 3.247 8.869 693 1HB LEU 89 2HB LEU 89 20.558 3.116 5.856 694 2HB LEU 89 1HB LEU 89 21.558 2.033 6.804 695 HG LEU 89 HG LEU 89 19.424 1.333 8.016 696 1HD1 LEU 89 1HD1 LEU 89 17.313 1.678 6.839 697 2HD1 LEU 89 2HD1 LEU 89 18.124 2.727 5.675 698 3HD1 LEU 89 3HD1 LEU 89 18.010 3.210 7.368 699 1HD2 LEU 89 1HD2 LEU 89 19.654 0.738 5.065 700 2HD2 LEU 89 2HD2 LEU 89 18.775 -0.228 6.251 701 3HD2 LEU 89 3HD2 LEU 89 20.527 -0.078 6.361 702 H GLY 90 H GLY 90 21.798 4.627 5.715 703 1HA GLY 90 2HA GLY 90 23.205 6.782 6.177 704 2HA GLY 90 1HA GLY 90 24.252 5.627 6.983 705 H GLU 91 H GLU 91 25.676 6.709 5.359 706 HA GLU 91 HA GLU 91 25.669 6.352 2.638 707 1HB GLU 91 2HB GLU 91 27.298 7.686 4.009 708 2HB GLU 91 1HB GLU 91 28.105 6.183 4.427 709 1HG GLU 91 2HG GLU 91 29.381 7.101 2.695 710 2HG GLU 91 1HG GLU 91 28.427 5.831 1.929 711 H GLU 92 H GLU 92 26.185 3.904 5.073 712 HA GLU 92 HA GLU 92 27.811 2.207 3.467 713 1HB GLU 92 2HB GLU 92 27.236 0.449 5.225 714 2HB GLU 92 1HB GLU 92 28.106 1.874 5.760 715 1HG GLU 92 2HG GLU 92 26.519 1.451 7.419 716 2HG GLU 92 1HG GLU 92 25.881 2.809 6.500 717 H VAL 93 H VAL 93 24.478 2.856 3.508 718 HA VAL 93 HA VAL 93 23.546 0.475 2.309 719 HB VAL 93 HB VAL 93 22.509 3.308 1.993 720 1HG1 VAL 93 1HG1 VAL 93 21.741 1.913 0.145 721 2HG1 VAL 93 2HG1 VAL 93 20.406 2.267 1.243 722 3HG1 VAL 93 3HG1 VAL 93 21.184 0.683 1.282 723 1HG2 VAL 93 1HG2 VAL 93 21.610 1.061 3.804 724 2HG2 VAL 93 2HG2 VAL 93 20.819 2.630 3.642 725 3HG2 VAL 93 3HG2 VAL 93 22.451 2.529 4.302 726 H LEU 94 H LEU 94 25.143 3.335 1.108 727 HA LEU 94 HA LEU 94 24.877 2.532 -1.680 728 1HB LEU 94 2HB LEU 94 26.339 4.898 -0.474 729 2HB LEU 94 1HB LEU 94 26.047 4.633 -2.181 730 HG LEU 94 HG LEU 94 24.478 6.257 -1.543 731 1HD1 LEU 94 1HD1 LEU 94 22.311 5.195 -1.828 732 2HD1 LEU 94 2HD1 LEU 94 23.013 3.622 -1.446 733 3HD1 LEU 94 3HD1 LEU 94 23.510 4.479 -2.905 734 1HD2 LEU 94 1HD2 LEU 94 23.781 4.562 0.857 735 2HD2 LEU 94 2HD2 LEU 94 22.985 6.068 0.394 736 3HD2 LEU 94 3HD2 LEU 94 24.684 6.078 0.868 737 H ALA 95 H ALA 95 27.183 2.518 0.914 738 HA ALA 95 HA ALA 95 29.519 1.991 -0.613 739 1HB ALA 95 1HB ALA 95 29.624 2.838 1.687 740 2HB ALA 95 2HB ALA 95 30.526 1.332 1.518 741 3HB ALA 95 3HB ALA 95 28.935 1.324 2.279 742 H GLU 96 H GLU 96 27.512 -0.159 1.401 743 HA GLU 96 HA GLU 96 28.119 -2.376 -0.440 744 1HB GLU 96 2HB GLU 96 28.021 -2.510 2.588 745 2HB GLU 96 1HB GLU 96 28.118 -3.910 1.528 746 1HG GLU 96 2HG GLU 96 30.282 -3.121 0.689 747 2HG GLU 96 1HG GLU 96 30.182 -1.726 1.764 748 HA PRO 97 HA PRO 97 23.595 -1.780 -0.076 749 1HB PRO 97 2HB PRO 97 22.968 -2.452 -2.611 750 2HB PRO 97 1HB PRO 97 23.638 -0.866 -2.203 751 1HG PRO 97 2HG PRO 97 25.045 -3.286 -3.293 752 2HG PRO 97 1HG PRO 97 25.180 -1.591 -3.810 753 1HD PRO 97 2HD PRO 97 26.991 -2.770 -2.156 754 2HD PRO 97 1HD PRO 97 26.594 -1.042 -2.064 755 H ARG 98 H ARG 98 21.935 -3.230 0.164 756 HA ARG 98 HA ARG 98 22.221 -5.981 -0.711 757 1HB ARG 98 2HB ARG 98 21.756 -6.925 1.502 758 2HB ARG 98 1HB ARG 98 23.248 -5.996 1.534 759 1HG ARG 98 2HG ARG 98 21.931 -4.088 2.497 760 2HG ARG 98 1HG ARG 98 20.563 -5.189 2.630 761 1HD ARG 98 2HD ARG 98 21.690 -6.573 4.180 762 2HD ARG 98 1HD ARG 98 23.243 -5.805 3.854 763 HE ARG 98 HE ARG 98 22.189 -3.756 4.886 764 1HH1 ARG 98 1HH1 ARG 98 21.051 -6.948 5.729 765 2HH1 ARG 98 2HH1 ARG 98 20.731 -6.538 7.382 766 1HH2 ARG 98 1HH2 ARG 98 21.741 -3.192 7.047 767 2HH2 ARG 98 2HH2 ARG 98 21.095 -4.387 8.124 768 HA PRO 99 HA PRO 99 18.097 -5.385 -1.833 769 1HB PRO 99 2HB PRO 99 16.977 -7.861 -1.346 770 2HB PRO 99 1HB PRO 99 18.001 -7.487 -2.731 771 1HG PRO 99 2HG PRO 99 18.732 -8.782 -0.128 772 2HG PRO 99 1HG PRO 99 19.212 -9.233 -1.777 773 1HD PRO 99 2HD PRO 99 20.878 -7.882 -0.182 774 2HD PRO 99 1HD PRO 99 20.788 -7.523 -1.919 775 H ASP 100 H ASP 100 18.751 -6.373 1.419 776 HA ASP 100 HA ASP 100 15.950 -5.954 2.216 777 1HB ASP 100 2HB ASP 100 16.505 -7.148 4.260 778 2HB ASP 100 1HB ASP 100 17.003 -8.095 2.863 779 H MET 101 H MET 101 18.305 -3.927 1.758 780 HA MET 101 HA MET 101 18.904 -2.662 4.182 781 1HB MET 101 2HB MET 101 18.729 -1.655 1.352 782 2HB MET 101 1HB MET 101 19.025 -0.529 2.666 783 1HG MET 101 2HG MET 101 20.743 -2.893 1.941 784 2HG MET 101 1HG MET 101 21.091 -1.201 1.590 785 1HE MET 101 1HE MET 101 23.781 -1.758 4.301 786 2HE MET 101 2HE MET 101 23.408 -1.072 2.720 787 3HE MET 101 3HE MET 101 23.331 -2.816 2.964 788 H PHE 102 H PHE 102 16.363 -1.751 1.855 789 HA PHE 102 HA PHE 102 15.490 0.386 3.587 790 1HB PHE 102 2HB PHE 102 14.348 -0.547 0.944 791 2HB PHE 102 1HB PHE 102 13.975 0.968 1.756 792 HD1 PHE 102 1HD PHE 102 15.759 2.718 1.973 793 HD2 PHE 102 2HD PHE 102 16.266 -0.775 -0.418 794 HE1 PHE 102 1HE PHE 102 17.595 3.814 0.750 795 HE2 PHE 102 2HE PHE 102 18.104 0.315 -1.629 796 HZ PHE 102 HZ PHE 102 18.771 2.614 -1.048 797 H ARG 103 H ARG 103 14.881 -2.700 4.080 798 HA ARG 103 HA ARG 103 12.125 -3.100 3.825 799 1HB ARG 103 2HB ARG 103 14.074 -4.257 5.823 800 2HB ARG 103 1HB ARG 103 12.401 -4.786 5.691 801 1HG ARG 103 2HG ARG 103 12.832 -5.424 3.333 802 2HG ARG 103 1HG ARG 103 14.528 -4.990 3.560 803 1HD ARG 103 2HD ARG 103 14.231 -7.392 3.809 804 2HD ARG 103 1HD ARG 103 14.707 -6.672 5.346 805 HE ARG 103 HE ARG 103 11.903 -7.349 4.722 806 1HH1 ARG 103 1HH1 ARG 103 14.683 -7.500 6.853 807 2HH1 ARG 103 2HH1 ARG 103 13.800 -8.237 8.153 808 1HH2 ARG 103 1HH2 ARG 103 10.753 -8.345 6.418 809 2HH2 ARG 103 2HH2 ARG 103 11.567 -8.720 7.906 810 H ALA 104 H ALA 104 13.955 -1.727 6.534 811 HA ALA 104 HA ALA 104 11.852 -1.577 8.384 812 1HB ALA 104 1HB ALA 104 14.274 0.220 8.168 813 2HB ALA 104 2HB ALA 104 14.217 -1.336 8.997 814 3HB ALA 104 3HB ALA 104 13.254 0.016 9.593 815 H GLN 105 H GLN 105 13.148 0.947 6.232 816 HA GLN 105 HA GLN 105 11.246 2.908 6.967 817 1HB GLN 105 2HB GLN 105 13.095 2.668 4.590 818 2HB GLN 105 1HB GLN 105 12.027 4.046 4.819 819 1HG GLN 105 2HG GLN 105 14.233 4.591 5.604 820 2HG GLN 105 1HG GLN 105 13.120 4.524 6.967 821 1HE2 GLN 105 1HE2 GLN 105 14.746 4.191 8.463 822 2HE2 GLN 105 2HE2 GLN 105 15.624 2.705 8.574 823 H GLN 106 H GLN 106 11.244 0.358 4.596 824 HA GLN 106 HA GLN 106 9.136 1.206 2.953 825 1HB GLN 106 2HB GLN 106 10.635 -0.747 2.502 826 2HB GLN 106 1HB GLN 106 9.803 -1.640 3.768 827 1HG GLN 106 2HG GLN 106 7.701 -1.435 2.486 828 2HG GLN 106 1HG GLN 106 8.591 -0.620 1.202 829 1HE2 GLN 106 1HE2 GLN 106 7.090 -3.090 1.069 830 2HE2 GLN 106 2HE2 GLN 106 8.199 -4.313 0.563 831 H LEU 107 H LEU 107 9.082 -0.928 5.811 832 HA LEU 107 HA LEU 107 6.254 -1.079 5.966 833 1HB LEU 107 2HB LEU 107 8.480 -1.729 7.875 834 2HB LEU 107 1HB LEU 107 6.816 -1.753 8.427 835 HG LEU 107 HG LEU 107 6.281 -3.449 6.705 836 1HD1 LEU 107 1HD1 LEU 107 7.982 -2.892 5.054 837 2HD1 LEU 107 2HD1 LEU 107 8.084 -4.590 5.513 838 3HD1 LEU 107 3HD1 LEU 107 9.249 -3.434 6.157 839 1HD2 LEU 107 1HD2 LEU 107 7.415 -5.315 7.798 840 2HD2 LEU 107 2HD2 LEU 107 6.864 -4.125 8.977 841 3HD2 LEU 107 3HD2 LEU 107 8.569 -4.197 8.528 842 H GLN 108 H GLN 108 8.598 1.204 7.183 843 HA GLN 108 HA GLN 108 6.953 2.420 9.127 844 1HB GLN 108 2HB GLN 108 9.367 2.774 9.101 845 2HB GLN 108 1HB GLN 108 9.259 3.604 7.551 846 1HG GLN 108 2HG GLN 108 8.210 5.473 8.491 847 2HG GLN 108 1HG GLN 108 7.779 4.604 9.963 848 1HE2 GLN 108 1HE2 GLN 108 10.405 6.056 8.174 849 2HE2 GLN 108 2HE2 GLN 108 11.480 6.220 9.517 850 H ILE 109 H ILE 109 7.622 3.350 5.737 851 HA ILE 109 HA ILE 109 5.914 5.547 5.589 852 HB ILE 109 HB ILE 109 7.517 4.187 3.789 853 1HG1 ILE 109 2HG1 ILE 109 6.948 5.989 2.195 854 2HG1 ILE 109 1HG1 ILE 109 5.517 6.376 3.144 855 1HG2 ILE 109 1HG2 ILE 109 6.167 3.706 1.807 856 2HG2 ILE 109 2HG2 ILE 109 4.700 3.985 2.745 857 3HG2 ILE 109 3HG2 ILE 109 5.763 2.638 3.154 858 1HD1 ILE 109 1HD1 ILE 109 6.927 7.055 5.006 859 2HD1 ILE 109 2HD1 ILE 109 7.328 7.950 3.540 860 3HD1 ILE 109 3HD1 ILE 109 8.367 6.631 4.080 861 H PHE 110 H PHE 110 5.307 2.143 5.055 862 HA PHE 110 HA PHE 110 2.603 2.158 4.422 863 1HB PHE 110 2HB PHE 110 4.098 0.146 4.437 864 2HB PHE 110 1HB PHE 110 4.011 0.132 6.193 865 HD1 PHE 110 1HD PHE 110 2.446 -0.878 3.134 866 HD2 PHE 110 2HD PHE 110 1.743 -0.257 7.290 867 HE1 PHE 110 1HE PHE 110 0.433 -2.280 2.999 868 HE2 PHE 110 2HE PHE 110 -0.275 -1.663 7.158 869 HZ PHE 110 HZ PHE 110 -0.931 -2.675 5.008 870 H ASN 111 H ASN 111 4.046 1.850 7.669 871 HA ASN 111 HA ASN 111 1.490 1.881 8.958 872 1HB ASN 111 2HB ASN 111 4.327 1.811 9.960 873 2HB ASN 111 1HB ASN 111 2.988 2.050 11.078 874 1HD2 ASN 111 1HD2 ASN 111 4.610 -0.198 8.992 875 2HD2 ASN 111 2HD2 ASN 111 3.734 -1.604 9.487 876 H LEU 112 H LEU 112 3.436 4.384 7.797 877 HA LEU 112 HA LEU 112 2.557 6.326 9.775 878 1HB LEU 112 2HB LEU 112 4.141 6.613 7.221 879 2HB LEU 112 1HB LEU 112 3.659 7.982 8.205 880 HG LEU 112 HG LEU 112 5.495 5.733 9.055 881 1HD1 LEU 112 1HD1 LEU 112 6.047 8.653 8.526 882 2HD1 LEU 112 2HD1 LEU 112 6.531 7.301 7.503 883 3HD1 LEU 112 3HD1 LEU 112 7.212 7.469 9.120 884 1HD2 LEU 112 1HD2 LEU 112 4.575 8.162 10.601 885 2HD2 LEU 112 2HD2 LEU 112 5.821 7.025 11.117 886 3HD2 LEU 112 3HD2 LEU 112 4.153 6.484 10.945 887 H MET 113 H MET 113 1.736 5.342 6.498 888 HA MET 113 HA MET 113 -0.297 7.462 6.336 889 1HB MET 113 2HB MET 113 0.360 5.467 4.168 890 2HB MET 113 1HB MET 113 -0.414 7.034 4.005 891 1HG MET 113 2HG MET 113 2.478 6.504 4.653 892 2HG MET 113 1HG MET 113 1.823 7.182 3.162 893 1HE MET 113 1HE MET 113 3.763 9.091 3.538 894 2HE MET 113 2HE MET 113 4.194 8.401 5.104 895 3HE MET 113 3HE MET 113 3.821 10.120 4.969 896 H LYS 114 H LYS 114 0.024 4.341 7.349 897 HA LYS 114 HA LYS 114 -2.034 2.837 6.353 898 1HB LYS 114 2HB LYS 114 -0.307 1.996 7.876 899 2HB LYS 114 1HB LYS 114 -1.004 2.917 9.198 900 1HG LYS 114 2HG LYS 114 -3.057 1.556 9.033 901 2HG LYS 114 1HG LYS 114 -2.299 0.605 7.753 902 1HD LYS 114 2HD LYS 114 -0.531 -0.088 9.294 903 2HD LYS 114 1HD LYS 114 -1.238 0.899 10.572 904 1HE LYS 114 2HE LYS 114 -3.293 -0.485 10.445 905 2HE LYS 114 1HE LYS 114 -2.495 -1.509 9.252 906 1HZ LYS 114 1HZ LYS 114 -1.532 -1.056 12.027 907 2HZ LYS 114 2HZ LYS 114 -0.833 -2.095 10.890 908 3HZ LYS 114 3HZ LYS 114 -2.373 -2.425 11.502 909 H PHE 115 H PHE 115 -2.211 5.238 8.958 910 HA PHE 115 HA PHE 115 -5.155 5.024 8.843 911 1HB PHE 115 2HB PHE 115 -4.112 4.017 10.923 912 2HB PHE 115 1HB PHE 115 -3.560 5.633 11.347 913 HD1 PHE 115 1HD PHE 115 -4.885 6.851 12.806 914 HD2 PHE 115 2HD PHE 115 -6.713 3.895 10.337 915 HE1 PHE 115 1HE PHE 115 -7.050 7.287 13.889 916 HE2 PHE 115 2HE PHE 115 -8.878 4.328 11.422 917 HZ PHE 115 HZ PHE 115 -9.049 6.025 13.197 918 H ASP 116 H ASP 116 -3.175 6.835 7.517 919 HA ASP 116 HA ASP 116 -4.362 9.365 8.455 920 1HB ASP 116 2HB ASP 116 -2.015 9.340 9.175 921 2HB ASP 116 1HB ASP 116 -1.498 9.028 7.518 922 H SER 117 H SER 117 -2.127 8.806 5.747 923 HA SER 117 HA SER 117 -3.621 10.266 3.903 924 1HB SER 117 2HB SER 117 -1.713 7.988 3.290 925 2HB SER 117 1HB SER 117 -2.175 9.295 2.196 926 HG SER 117 HG SER 117 -1.303 10.427 4.414 927 H TYR 118 H TYR 118 -3.496 6.765 4.464 928 HA TYR 118 HA TYR 118 -5.427 5.919 2.645 929 1HB TYR 118 2HB TYR 118 -4.193 4.246 3.760 930 2HB TYR 118 1HB TYR 118 -4.547 4.913 5.346 931 HD1 TYR 118 1HD TYR 118 -6.094 3.088 2.482 932 HD2 TYR 118 2HD TYR 118 -6.357 4.119 6.608 933 HE1 TYR 118 1HE TYR 118 -7.923 1.467 2.771 934 HE2 TYR 118 2HE TYR 118 -8.181 2.507 6.903 935 HH TYR 118 HH TYR 118 -9.852 1.370 5.603 936 H ALA 119 H ALA 119 -5.851 6.928 6.029 937 HA ALA 119 HA ALA 119 -8.672 6.603 6.050 938 1HB ALA 119 1HB ALA 119 -6.938 8.249 7.898 939 2HB ALA 119 2HB ALA 119 -7.307 6.536 8.090 940 3HB ALA 119 3HB ALA 119 -8.597 7.733 8.209 941 H ARG 120 H ARG 120 -6.610 9.120 4.948 942 HA ARG 120 HA ARG 120 -8.546 11.241 5.046 943 1HB ARG 120 2HB ARG 120 -6.204 11.817 5.127 944 2HB ARG 120 1HB ARG 120 -5.883 10.944 3.639 945 1HG ARG 120 2HG ARG 120 -5.858 13.314 3.217 946 2HG ARG 120 1HG ARG 120 -7.238 12.585 2.398 947 1HD ARG 120 2HD ARG 120 -8.713 13.350 4.201 948 2HD ARG 120 1HD ARG 120 -7.329 14.064 5.033 949 HE ARG 120 HE ARG 120 -7.490 15.092 2.409 950 1HH1 ARG 120 1HH1 ARG 120 -9.093 15.316 5.514 951 2HH1 ARG 120 2HH1 ARG 120 -9.722 16.903 5.215 952 1HH2 ARG 120 1HH2 ARG 120 -8.307 17.174 2.015 953 2HH2 ARG 120 2HH2 ARG 120 -9.281 17.961 3.222 954 H PHE 121 H PHE 121 -7.210 9.134 2.530 955 HA PHE 121 HA PHE 121 -8.535 10.263 0.344 956 1HB PHE 121 2HB PHE 121 -6.657 8.732 0.063 957 2HB PHE 121 1HB PHE 121 -7.596 7.411 0.751 958 HD1 PHE 121 1HD PHE 121 -7.834 9.913 -2.022 959 HD2 PHE 121 2HD PHE 121 -8.571 5.918 -0.727 960 HE1 PHE 121 1HE PHE 121 -8.649 9.337 -4.269 961 HE2 PHE 121 2HE PHE 121 -9.391 5.342 -2.975 962 HZ PHE 121 HZ PHE 121 -9.431 7.049 -4.747 963 H VAL 122 H VAL 122 -9.502 7.568 2.457 964 HA VAL 122 HA VAL 122 -11.838 6.920 0.996 965 HB VAL 122 HB VAL 122 -12.541 5.622 2.968 966 1HG1 VAL 122 1HG1 VAL 122 -9.608 5.313 2.292 967 2HG1 VAL 122 2HG1 VAL 122 -10.963 4.644 1.381 968 3HG1 VAL 122 3HG1 VAL 122 -10.637 4.074 3.018 969 1HG2 VAL 122 1HG2 VAL 122 -11.816 7.125 4.745 970 2HG2 VAL 122 2HG2 VAL 122 -10.126 6.843 4.321 971 3HG2 VAL 122 3HG2 VAL 122 -11.109 5.525 4.966 972 H LYS 123 H LYS 123 -11.183 9.488 3.185 973 HA LYS 123 HA LYS 123 -14.000 10.015 3.748 974 1HB LYS 123 2HB LYS 123 -11.498 11.574 4.459 975 2HB LYS 123 1HB LYS 123 -13.125 12.035 4.937 976 1HG LYS 123 2HG LYS 123 -13.310 9.924 6.215 977 2HG LYS 123 1HG LYS 123 -11.637 9.552 5.786 978 1HD LYS 123 2HD LYS 123 -10.925 11.665 6.879 979 2HD LYS 123 1HD LYS 123 -12.595 11.946 7.371 980 1HE LYS 123 2HE LYS 123 -11.371 11.007 9.222 981 2HE LYS 123 1HE LYS 123 -12.539 9.820 8.642 982 1HZ LYS 123 1HZ LYS 123 -9.651 9.847 7.943 983 2HZ LYS 123 2HZ LYS 123 -10.782 8.672 7.486 984 3HZ LYS 123 3HZ LYS 123 -10.356 8.850 9.112 985 H SER 124 H SER 124 -11.573 10.885 1.479 986 HA SER 124 HA SER 124 -12.774 13.454 0.817 987 1HB SER 124 2HB SER 124 -10.278 12.074 -0.209 988 2HB SER 124 1HB SER 124 -10.768 13.722 -0.612 989 HG SER 124 HG SER 124 -10.249 12.760 2.014 990 HA PRO 125 HA PRO 125 -14.781 12.428 -3.086 991 1HB PRO 125 2HB PRO 125 -12.748 14.169 -4.432 992 2HB PRO 125 1HB PRO 125 -14.512 14.185 -4.572 993 1HG PRO 125 2HG PRO 125 -13.269 16.038 -3.132 994 2HG PRO 125 1HG PRO 125 -14.788 15.324 -2.558 995 1HD PRO 125 2HD PRO 125 -11.985 14.793 -1.657 996 2HD PRO 125 1HD PRO 125 -13.481 14.870 -0.704 997 H LEU 126 H LEU 126 -14.009 11.936 -5.527 998 HA LEU 126 HA LEU 126 -13.052 10.433 -6.918 999 1HB LEU 126 2HB LEU 126 -10.770 10.437 -4.930 1000 2HB LEU 126 1HB LEU 126 -10.739 9.600 -6.471 1001 HG LEU 126 HG LEU 126 -10.994 12.596 -6.120 1002 1HD1 LEU 126 1HD1 LEU 126 -8.724 12.690 -7.034 1003 2HD1 LEU 126 2HD1 LEU 126 -8.645 10.927 -7.023 1004 3HD1 LEU 126 3HD1 LEU 126 -8.775 11.816 -5.504 1005 1HD2 LEU 126 1HD2 LEU 126 -10.685 12.697 -8.546 1006 2HD2 LEU 126 2HD2 LEU 126 -12.139 11.791 -8.128 1007 3HD2 LEU 126 3HD2 LEU 126 -10.679 10.935 -8.626 1008 H TYR 127 H TYR 127 -12.352 9.363 -3.561 1009 HA TYR 127 HA TYR 127 -12.892 6.645 -4.018 1010 1HB TYR 127 2HB TYR 127 -11.732 7.354 -2.001 1011 2HB TYR 127 1HB TYR 127 -13.135 8.277 -1.473 1012 HD1 TYR 127 1HD TYR 127 -14.670 7.282 -0.011 1013 HD2 TYR 127 2HD TYR 127 -12.111 4.782 -2.326 1014 HE1 TYR 127 1HE TYR 127 -15.517 5.309 1.188 1015 HE2 TYR 127 2HE TYR 127 -12.952 2.807 -1.131 1016 HH TYR 127 HH TYR 127 -14.039 2.215 0.924 1017 H ARG 128 H ARG 128 -14.996 8.943 -2.257 1018 HA ARG 128 HA ARG 128 -17.314 7.382 -2.378 1019 1HB ARG 128 2HB ARG 128 -18.533 9.386 -1.754 1020 2HB ARG 128 1HB ARG 128 -17.008 9.345 -0.881 1021 1HG ARG 128 2HG ARG 128 -16.058 10.951 -2.482 1022 2HG ARG 128 1HG ARG 128 -17.605 11.009 -3.327 1023 1HD ARG 128 2HD ARG 128 -17.076 11.849 -0.473 1024 2HD ARG 128 1HD ARG 128 -17.385 12.916 -1.841 1025 HE ARG 128 HE ARG 128 -19.445 10.974 -1.074 1026 1HH1 ARG 128 1HH1 ARG 128 -18.403 14.302 -1.364 1027 2HH1 ARG 128 2HH1 ARG 128 -19.955 14.956 -0.943 1028 1HH2 ARG 128 1HH2 ARG 128 -21.487 11.827 -0.533 1029 2HH2 ARG 128 2HH2 ARG 128 -21.711 13.548 -0.467 1030 H GLU 129 H GLU 129 -15.855 9.485 -4.703 1031 HA GLU 129 HA GLU 129 -18.066 9.850 -6.434 1032 1HB GLU 129 2HB GLU 129 -16.023 11.269 -6.417 1033 2HB GLU 129 1HB GLU 129 -15.103 9.915 -7.057 1034 1HG GLU 129 2HG GLU 129 -16.533 9.944 -9.073 1035 2HG GLU 129 1HG GLU 129 -17.354 11.369 -8.434 1036 H CYS 130 H CYS 130 -15.512 7.437 -6.186 1037 HA CYS 130 HA CYS 130 -16.178 6.052 -8.589 1038 1HB CYS 130 2HB CYS 130 -13.944 5.917 -7.499 1039 2HB CYS 130 1HB CYS 130 -14.672 5.031 -6.164 1040 HG CYS 130 HG CYS 130 -15.617 3.341 -8.674 1041 H LEU 131 H LEU 131 -17.185 5.844 -5.232 1042 HA LEU 131 HA LEU 131 -18.798 3.503 -5.531 1043 1HB LEU 131 2HB LEU 131 -18.679 5.718 -3.497 1044 2HB LEU 131 1HB LEU 131 -19.993 4.562 -3.458 1045 HG LEU 131 HG LEU 131 -18.306 2.727 -3.225 1046 1HD1 LEU 131 1HD1 LEU 131 -16.379 3.863 -4.205 1047 2HD1 LEU 131 2HD1 LEU 131 -16.027 3.279 -2.579 1048 3HD1 LEU 131 3HD1 LEU 131 -16.350 4.993 -2.850 1049 1HD2 LEU 131 1HD2 LEU 131 -19.469 3.632 -1.279 1050 2HD2 LEU 131 2HD2 LEU 131 -18.220 4.863 -1.092 1051 3HD2 LEU 131 3HD2 LEU 131 -17.820 3.158 -0.873 1052 H LEU 132 H LEU 132 -19.199 6.895 -6.110 1053 HA LEU 132 HA LEU 132 -20.727 8.122 -7.223 1054 1HB LEU 132 2HB LEU 132 -20.571 6.005 -8.741 1055 2HB LEU 132 1HB LEU 132 -22.149 5.613 -8.091 1056 HG LEU 132 HG LEU 132 -22.293 6.702 -10.293 1057 1HD1 LEU 132 1HD1 LEU 132 -23.389 8.442 -8.085 1058 2HD1 LEU 132 2HD1 LEU 132 -24.154 6.996 -8.742 1059 3HD1 LEU 132 3HD1 LEU 132 -23.938 8.418 -9.762 1060 1HD2 LEU 132 1HD2 LEU 132 -21.693 9.060 -10.558 1061 2HD2 LEU 132 2HD2 LEU 132 -20.285 8.073 -10.173 1062 3HD2 LEU 132 3HD2 LEU 132 -21.025 9.077 -8.925 1063 H ALA 133 H ALA 133 -22.804 5.363 -6.372 1064 HA ALA 133 HA ALA 133 -24.118 6.866 -4.266 1065 1HB ALA 133 1HB ALA 133 -25.278 7.659 -6.282 1066 2HB ALA 133 2HB ALA 133 -26.346 6.706 -5.253 1067 3HB ALA 133 3HB ALA 133 -25.664 5.992 -6.713 1068 H GLU 134 H GLU 134 -25.033 4.105 -6.349 1069 HA GLU 134 HA GLU 134 -25.105 2.434 -3.920 1070 1HB GLU 134 2HB GLU 134 -26.570 2.034 -6.543 1071 2HB GLU 134 1HB GLU 134 -26.659 0.962 -5.150 1072 1HG GLU 134 2HG GLU 134 -27.565 2.905 -3.837 1073 2HG GLU 134 1HG GLU 134 -27.665 3.794 -5.357 1074 H ALA 135 H ALA 135 -24.944 1.519 -7.345 1075 HA ALA 135 HA ALA 135 -22.230 0.766 -7.382 1076 1HB ALA 135 1HB ALA 135 -22.419 -1.665 -7.273 1077 2HB ALA 135 2HB ALA 135 -24.144 -1.534 -6.930 1078 3HB ALA 135 3HB ALA 135 -22.964 -0.937 -5.762 1079 H GLU 136 H GLU 136 -22.104 1.477 -9.450 1080 HA GLU 136 HA GLU 136 -23.803 0.142 -11.455 1081 1HB GLU 136 2HB GLU 136 -22.356 2.799 -11.674 1082 2HB GLU 136 1HB GLU 136 -23.349 2.062 -12.929 1083 1HG GLU 136 2HG GLU 136 -25.296 2.183 -11.397 1084 2HG GLU 136 1HG GLU 136 -24.282 3.031 -10.231 Start of MODEL 15 1 1H SER 1 1HT SER 1 -14.563 -3.016 9.223 2 2H SER 1 2HT SER 1 -14.557 -1.989 7.883 3 3H SER 1 3HT SER 1 -14.507 -3.665 7.666 4 HA SER 1 HA SER 1 -16.752 -2.153 8.845 5 1HB SER 1 2HB SER 1 -16.565 -1.755 6.431 6 2HB SER 1 1HB SER 1 -16.449 -3.489 6.133 7 HG SER 1 HG SER 1 -18.538 -3.365 5.951 8 H MET 2 H MET 2 -18.560 -3.450 9.411 9 HA MET 2 HA MET 2 -17.969 -6.049 10.410 10 1HB MET 2 2HB MET 2 -20.630 -4.643 10.028 11 2HB MET 2 1HB MET 2 -20.425 -6.165 10.883 12 1HG MET 2 2HG MET 2 -19.223 -3.515 11.666 13 2HG MET 2 1HG MET 2 -20.599 -4.309 12.433 14 1HE MET 2 1HE MET 2 -19.486 -4.140 14.824 15 2HE MET 2 2HE MET 2 -18.117 -3.289 14.107 16 3HE MET 2 3HE MET 2 -17.839 -4.664 15.177 17 H THR 3 H THR 3 -19.537 -4.804 7.535 18 HA THR 3 HA THR 3 -20.230 -7.389 6.483 19 HB THR 3 HB THR 3 -20.626 -6.055 4.351 20 HG1 THR 3 1HG THR 3 -20.062 -4.010 4.298 21 1HG2 THR 3 1HG2 THR 3 -22.628 -4.922 5.211 22 2HG2 THR 3 2HG2 THR 3 -22.015 -5.079 6.857 23 3HG2 THR 3 3HG2 THR 3 -22.445 -6.519 5.934 24 H GLU 4 H GLU 4 -19.334 -8.033 4.276 25 HA GLU 4 HA GLU 4 -16.495 -8.319 4.548 26 1HB GLU 4 2HB GLU 4 -17.831 -10.176 3.735 27 2HB GLU 4 1HB GLU 4 -18.396 -9.224 2.372 28 1HG GLU 4 2HG GLU 4 -16.218 -9.197 1.389 29 2HG GLU 4 1HG GLU 4 -15.501 -9.923 2.825 30 H GLU 5 H GLU 5 -18.621 -6.327 2.656 31 HA GLU 5 HA GLU 5 -18.316 -4.717 1.087 32 1HB GLU 5 2HB GLU 5 -15.540 -4.545 2.306 33 2HB GLU 5 1HB GLU 5 -16.247 -3.353 1.222 34 1HG GLU 5 2HG GLU 5 -17.342 -4.088 3.934 35 2HG GLU 5 1HG GLU 5 -16.329 -2.687 3.595 36 H GLN 6 H GLN 6 -18.519 -6.542 -0.370 37 HA GLN 6 HA GLN 6 -16.298 -7.944 -1.398 38 1HB GLN 6 2HB GLN 6 -19.063 -7.608 -2.578 39 2HB GLN 6 1HB GLN 6 -17.881 -8.817 -3.068 40 1HG GLN 6 2HG GLN 6 -17.938 -9.784 -0.823 41 2HG GLN 6 1HG GLN 6 -19.125 -8.579 -0.334 42 1HE2 GLN 6 1HE2 GLN 6 -19.275 -11.486 -0.374 43 2HE2 GLN 6 2HE2 GLN 6 -20.655 -11.880 -1.344 44 HA PRO 7 HA PRO 7 -16.643 -4.925 -5.230 45 1HB PRO 7 2HB PRO 7 -17.459 -2.381 -4.598 46 2HB PRO 7 1HB PRO 7 -18.541 -3.627 -5.234 47 1HG PRO 7 2HG PRO 7 -18.104 -2.771 -2.389 48 2HG PRO 7 1HG PRO 7 -19.629 -3.103 -3.235 49 1HD PRO 7 2HD PRO 7 -18.525 -4.908 -1.588 50 2HD PRO 7 1HD PRO 7 -19.364 -5.407 -3.072 51 H VAL 8 H VAL 8 -15.698 -2.334 -5.307 52 HA VAL 8 HA VAL 8 -13.026 -2.652 -4.512 53 HB VAL 8 HB VAL 8 -12.704 -0.307 -5.163 54 1HG1 VAL 8 1HG1 VAL 8 -14.512 -1.837 -7.040 55 2HG1 VAL 8 2HG1 VAL 8 -12.761 -2.006 -6.907 56 3HG1 VAL 8 3HG1 VAL 8 -13.459 -0.497 -7.495 57 1HG2 VAL 8 1HG2 VAL 8 -14.610 1.043 -5.937 58 2HG2 VAL 8 2HG2 VAL 8 -14.731 0.655 -4.221 59 3HG2 VAL 8 3HG2 VAL 8 -15.717 -0.220 -5.396 60 H ALA 9 H ALA 9 -15.703 -1.757 -2.645 61 HA ALA 9 HA ALA 9 -14.599 0.033 -0.787 62 1HB ALA 9 1HB ALA 9 -16.997 -0.449 -0.938 63 2HB ALA 9 2HB ALA 9 -16.395 -0.678 0.705 64 3HB ALA 9 3HB ALA 9 -16.712 -2.077 -0.324 65 H SER 10 H SER 10 -13.889 -3.233 -1.386 66 HA SER 10 HA SER 10 -13.131 -4.205 1.108 67 1HB SER 10 2HB SER 10 -11.540 -5.668 -0.287 68 2HB SER 10 1HB SER 10 -13.259 -5.762 -0.664 69 HG SER 10 HG SER 10 -12.939 -4.761 -2.526 70 H TRP 11 H TRP 11 -11.669 -1.734 -0.788 71 HA TRP 11 HA TRP 11 -9.004 -1.873 0.114 72 1HB TRP 11 2HB TRP 11 -10.596 0.632 -0.498 73 2HB TRP 11 1HB TRP 11 -8.843 0.498 -0.459 74 HD1 TRP 11 HD TRP 11 -8.996 -2.377 -2.229 75 HE1 TRP 11 1HE TRP 11 -9.305 -2.102 -4.774 76 HE3 TRP 11 3HE TRP 11 -10.789 2.401 -2.318 77 HZ2 TRP 11 2HZ TRP 11 -10.185 -0.114 -6.578 78 HZ3 TRP 11 3HZ TRP 11 -11.338 3.427 -4.480 79 HH2 TRP 11 HH TRP 11 -11.041 2.193 -6.572 80 H ALA 12 H ALA 12 -11.934 -0.625 1.561 81 HA ALA 12 HA ALA 12 -10.703 0.863 3.656 82 1HB ALA 12 1HB ALA 12 -13.518 -0.219 3.478 83 2HB ALA 12 2HB ALA 12 -12.972 1.336 2.851 84 3HB ALA 12 3HB ALA 12 -12.949 1.030 4.588 85 H LEU 13 H LEU 13 -10.905 -2.434 3.159 86 HA LEU 13 HA LEU 13 -11.155 -3.228 5.924 87 1HB LEU 13 2HB LEU 13 -10.233 -4.802 3.510 88 2HB LEU 13 1HB LEU 13 -10.561 -5.479 5.094 89 HG LEU 13 HG LEU 13 -12.599 -4.190 3.264 90 1HD1 LEU 13 1HD1 LEU 13 -11.860 -6.375 2.471 91 2HD1 LEU 13 2HD1 LEU 13 -13.520 -6.442 3.061 92 3HD1 LEU 13 3HD1 LEU 13 -12.208 -7.079 4.052 93 1HD2 LEU 13 1HD2 LEU 13 -13.143 -3.790 5.612 94 2HD2 LEU 13 2HD2 LEU 13 -12.975 -5.511 5.958 95 3HD2 LEU 13 3HD2 LEU 13 -14.264 -4.947 4.894 96 H SER 14 H SER 14 -8.567 -2.611 3.626 97 HA SER 14 HA SER 14 -6.636 -2.411 5.746 98 1HB SER 14 2HB SER 14 -6.549 -4.817 5.452 99 2HB SER 14 1HB SER 14 -6.384 -4.640 3.707 100 HG SER 14 HG SER 14 -4.512 -4.143 5.743 101 H PHE 15 H PHE 15 -5.013 -1.087 5.227 102 HA PHE 15 HA PHE 15 -5.155 0.494 2.894 103 1HB PHE 15 2HB PHE 15 -4.209 1.386 4.954 104 2HB PHE 15 1HB PHE 15 -2.925 0.182 4.923 105 HD1 PHE 15 1HD PHE 15 -4.317 2.555 2.381 106 HD2 PHE 15 2HD PHE 15 -0.884 1.164 4.488 107 HE1 PHE 15 1HE PHE 15 -2.902 4.106 1.100 108 HE2 PHE 15 2HE PHE 15 0.530 2.714 3.207 109 HZ PHE 15 HZ PHE 15 -0.480 4.188 1.510 110 H GLU 16 H GLU 16 -3.158 -2.261 3.797 111 HA GLU 16 HA GLU 16 -1.369 -2.246 1.662 112 1HB GLU 16 2HB GLU 16 -1.188 -3.685 3.698 113 2HB GLU 16 1HB GLU 16 -2.498 -4.677 3.073 114 1HG GLU 16 2HG GLU 16 -1.109 -5.210 1.097 115 2HG GLU 16 1HG GLU 16 0.212 -4.281 1.807 116 H ARG 17 H ARG 17 -4.595 -3.696 1.986 117 HA ARG 17 HA ARG 17 -4.693 -4.957 -0.525 118 1HB ARG 17 2HB ARG 17 -6.929 -3.850 1.191 119 2HB ARG 17 1HB ARG 17 -7.195 -4.809 -0.261 120 1HG ARG 17 2HG ARG 17 -5.928 -6.669 0.788 121 2HG ARG 17 1HG ARG 17 -5.808 -5.709 2.263 122 1HD ARG 17 2HD ARG 17 -7.646 -7.334 2.385 123 2HD ARG 17 1HD ARG 17 -8.240 -5.675 2.461 124 HE ARG 17 HE ARG 17 -8.549 -6.094 -0.104 125 1HH1 ARG 17 1HH1 ARG 17 -9.235 -8.338 2.507 126 2HH1 ARG 17 2HH1 ARG 17 -10.469 -9.176 1.619 127 1HH2 ARG 17 1HH2 ARG 17 -10.176 -7.187 -1.249 128 2HH2 ARG 17 2HH2 ARG 17 -11.008 -8.518 -0.511 129 H LEU 18 H LEU 18 -5.709 -1.718 0.485 130 HA LEU 18 HA LEU 18 -6.576 -0.746 -2.004 131 1HB LEU 18 2HB LEU 18 -7.037 0.501 -0.002 132 2HB LEU 18 1HB LEU 18 -5.332 0.615 0.391 133 HG LEU 18 HG LEU 18 -5.052 2.040 -1.686 134 1HD1 LEU 18 1HD1 LEU 18 -7.031 3.132 -2.591 135 2HD1 LEU 18 2HD1 LEU 18 -8.063 2.117 -1.582 136 3HD1 LEU 18 3HD1 LEU 18 -7.081 1.390 -2.854 137 1HD2 LEU 18 1HD2 LEU 18 -6.840 3.083 0.509 138 2HD2 LEU 18 2HD2 LEU 18 -5.909 4.072 -0.617 139 3HD2 LEU 18 3HD2 LEU 18 -5.076 3.022 0.528 140 H LEU 19 H LEU 19 -3.419 -0.939 -0.519 141 HA LEU 19 HA LEU 19 -2.139 0.731 -2.482 142 1HB LEU 19 2HB LEU 19 -1.639 0.650 0.001 143 2HB LEU 19 1HB LEU 19 -0.869 -0.896 -0.278 144 HG LEU 19 HG LEU 19 0.796 0.139 -1.695 145 1HD1 LEU 19 1HD1 LEU 19 -0.541 1.896 -2.711 146 2HD1 LEU 19 2HD1 LEU 19 0.891 2.594 -1.956 147 3HD1 LEU 19 3HD1 LEU 19 -0.679 2.721 -1.158 148 1HD2 LEU 19 1HD2 LEU 19 0.454 1.630 0.903 149 2HD2 LEU 19 2HD2 LEU 19 1.950 1.500 -0.022 150 3HD2 LEU 19 3HD2 LEU 19 1.233 0.060 0.699 151 H GLN 20 H GLN 20 -2.874 -2.554 -2.195 152 HA GLN 20 HA GLN 20 -0.825 -3.297 -4.178 153 1HB GLN 20 2HB GLN 20 -2.486 -4.956 -2.281 154 2HB GLN 20 1HB GLN 20 -1.632 -5.677 -3.639 155 1HG GLN 20 2HG GLN 20 -0.361 -4.098 -1.405 156 2HG GLN 20 1HG GLN 20 -0.363 -5.856 -1.556 157 1HE2 GLN 20 1HE2 GLN 20 0.841 -2.869 -2.893 158 2HE2 GLN 20 2HE2 GLN 20 2.152 -3.565 -3.777 159 H ASP 21 H ASP 21 -3.883 -2.160 -4.125 160 HA ASP 21 HA ASP 21 -4.849 -3.846 -6.329 161 1HB ASP 21 2HB ASP 21 -6.388 -3.338 -4.412 162 2HB ASP 21 1HB ASP 21 -6.321 -1.636 -4.861 163 HA PRO 22 HA PRO 22 -3.182 -0.884 -9.207 164 1HB PRO 22 2HB PRO 22 -5.329 -1.972 -10.976 165 2HB PRO 22 1HB PRO 22 -3.597 -1.809 -11.283 166 1HG PRO 22 2HG PRO 22 -4.651 -4.191 -10.745 167 2HG PRO 22 1HG PRO 22 -3.070 -3.733 -10.082 168 1HD PRO 22 2HD PRO 22 -5.741 -3.829 -8.724 169 2HD PRO 22 1HD PRO 22 -4.138 -4.270 -8.096 170 H LEU 23 H LEU 23 -6.726 -1.253 -9.074 171 HA LEU 23 HA LEU 23 -7.267 1.331 -10.159 172 1HB LEU 23 2HB LEU 23 -8.757 -0.824 -10.015 173 2HB LEU 23 1HB LEU 23 -9.202 -0.209 -8.437 174 HG LEU 23 HG LEU 23 -9.616 1.288 -11.038 175 1HD1 LEU 23 1HD1 LEU 23 -11.592 -0.279 -9.377 176 2HD1 LEU 23 2HD1 LEU 23 -10.989 -0.721 -10.976 177 3HD1 LEU 23 3HD1 LEU 23 -11.983 0.722 -10.777 178 1HD2 LEU 23 1HD2 LEU 23 -9.425 2.778 -9.121 179 2HD2 LEU 23 2HD2 LEU 23 -10.640 1.841 -8.251 180 3HD2 LEU 23 3HD2 LEU 23 -11.087 2.730 -9.707 181 H GLY 24 H GLY 24 -7.157 -0.042 -6.910 182 1HA GLY 24 2HA GLY 24 -8.028 2.180 -5.447 183 2HA GLY 24 1HA GLY 24 -6.981 0.904 -4.842 184 H LEU 25 H LEU 25 -4.693 1.117 -6.032 185 HA LEU 25 HA LEU 25 -3.410 3.281 -4.841 186 1HB LEU 25 2HB LEU 25 -2.587 0.954 -5.968 187 2HB LEU 25 1HB LEU 25 -2.113 2.072 -7.231 188 HG LEU 25 HG LEU 25 -1.187 2.134 -4.346 189 1HD1 LEU 25 1HD1 LEU 25 -0.189 0.324 -5.627 190 2HD1 LEU 25 2HD1 LEU 25 1.007 1.572 -5.278 191 3HD1 LEU 25 3HD1 LEU 25 0.296 1.458 -6.889 192 1HD2 LEU 25 1HD2 LEU 25 -1.348 4.406 -5.210 193 2HD2 LEU 25 2HD2 LEU 25 -0.419 3.949 -6.640 194 3HD2 LEU 25 3HD2 LEU 25 0.341 3.924 -5.047 195 H ALA 26 H ALA 26 -4.791 2.910 -8.046 196 HA ALA 26 HA ALA 26 -3.578 5.052 -9.369 197 1HB ALA 26 1HB ALA 26 -4.922 3.349 -10.509 198 2HB ALA 26 2HB ALA 26 -5.476 4.976 -10.904 199 3HB ALA 26 3HB ALA 26 -6.381 3.991 -9.754 200 H TYR 27 H TYR 27 -6.784 5.025 -7.758 201 HA TYR 27 HA TYR 27 -7.074 7.859 -7.987 202 1HB TYR 27 2HB TYR 27 -8.601 5.743 -6.486 203 2HB TYR 27 1HB TYR 27 -8.959 7.450 -6.252 204 HD1 TYR 27 1HD TYR 27 -10.270 4.765 -7.789 205 HD2 TYR 27 2HD TYR 27 -8.860 8.644 -8.845 206 HE1 TYR 27 1HE TYR 27 -11.732 4.758 -9.768 207 HE2 TYR 27 2HE TYR 27 -10.319 8.643 -10.821 208 HH TYR 27 HH TYR 27 -11.401 6.927 -12.302 209 H PHE 28 H PHE 28 -5.797 5.731 -5.523 210 HA PHE 28 HA PHE 28 -5.765 7.560 -3.380 211 1HB PHE 28 2HB PHE 28 -5.434 5.191 -2.984 212 2HB PHE 28 1HB PHE 28 -3.976 5.188 -3.972 213 HD1 PHE 28 1HD PHE 28 -5.300 7.143 -1.060 214 HD2 PHE 28 2HD PHE 28 -2.013 5.053 -2.786 215 HE1 PHE 28 1HE PHE 28 -3.948 7.619 0.940 216 HE2 PHE 28 2HE PHE 28 -0.663 5.525 -0.788 217 HZ PHE 28 HZ PHE 28 -1.630 6.808 1.079 218 H THR 29 H THR 29 -3.259 6.743 -5.782 219 HA THR 29 HA THR 29 -1.398 8.661 -4.785 220 HB THR 29 HB THR 29 -0.769 6.601 -6.114 221 HG1 THR 29 1HG THR 29 0.178 9.156 -6.958 222 1HG2 THR 29 1HG2 THR 29 -2.427 6.813 -7.917 223 2HG2 THR 29 2HG2 THR 29 -0.785 6.752 -8.556 224 3HG2 THR 29 3HG2 THR 29 -1.639 8.292 -8.467 225 H GLU 30 H GLU 30 -4.094 8.777 -6.929 226 HA GLU 30 HA GLU 30 -3.479 11.046 -8.460 227 1HB GLU 30 2HB GLU 30 -5.457 9.379 -8.648 228 2HB GLU 30 1HB GLU 30 -6.257 10.394 -7.461 229 1HG GLU 30 2HG GLU 30 -5.261 11.335 -10.149 230 2HG GLU 30 1HG GLU 30 -6.920 10.865 -9.794 231 H PHE 31 H PHE 31 -5.484 10.848 -5.499 232 HA PHE 31 HA PHE 31 -5.629 13.579 -4.950 233 1HB PHE 31 2HB PHE 31 -5.749 11.141 -3.186 234 2HB PHE 31 1HB PHE 31 -5.803 12.749 -2.480 235 HD1 PHE 31 1HD PHE 31 -7.550 14.367 -3.744 236 HD2 PHE 31 2HD PHE 31 -7.772 10.116 -3.547 237 HE1 PHE 31 1HE PHE 31 -9.978 14.481 -4.115 238 HE2 PHE 31 2HE PHE 31 -10.198 10.228 -3.924 239 HZ PHE 31 HZ PHE 31 -11.305 12.409 -4.209 240 H LEU 32 H LEU 32 -3.254 11.184 -3.900 241 HA LEU 32 HA LEU 32 -1.763 12.877 -2.220 242 1HB LEU 32 2HB LEU 32 -1.764 10.316 -2.388 243 2HB LEU 32 1HB LEU 32 -0.652 10.512 -3.728 244 HG LEU 32 HG LEU 32 0.941 11.659 -2.206 245 1HD1 LEU 32 1HD1 LEU 32 0.596 11.581 0.197 246 2HD1 LEU 32 2HD1 LEU 32 -1.006 10.875 -0.036 247 3HD1 LEU 32 3HD1 LEU 32 -0.677 12.522 -0.581 248 1HD2 LEU 32 1HD2 LEU 32 1.138 9.259 -2.630 249 2HD2 LEU 32 2HD2 LEU 32 0.061 8.926 -1.273 250 3HD2 LEU 32 3HD2 LEU 32 1.638 9.664 -0.989 251 H LYS 33 H LYS 33 -1.836 12.504 -5.657 252 HA LYS 33 HA LYS 33 0.672 13.870 -6.118 253 1HB LYS 33 2HB LYS 33 -0.189 12.122 -7.664 254 2HB LYS 33 1HB LYS 33 -1.548 13.159 -8.062 255 1HG LYS 33 2HG LYS 33 1.218 14.204 -8.491 256 2HG LYS 33 1HG LYS 33 0.581 13.005 -9.614 257 1HD LYS 33 2HD LYS 33 -1.366 14.468 -10.039 258 2HD LYS 33 1HD LYS 33 -0.681 15.674 -8.951 259 1HE LYS 33 2HE LYS 33 0.621 14.666 -11.485 260 2HE LYS 33 1HE LYS 33 -0.247 16.191 -11.322 261 1HZ LYS 33 1HZ LYS 33 2.278 15.417 -9.967 262 2HZ LYS 33 2HZ LYS 33 1.393 16.807 -9.585 263 3HZ LYS 33 3HZ LYS 33 2.063 16.633 -11.126 264 H LYS 34 H LYS 34 -2.760 14.645 -6.031 265 HA LYS 34 HA LYS 34 -2.781 17.161 -7.202 266 1HB LYS 34 2HB LYS 34 -4.445 15.875 -5.071 267 2HB LYS 34 1HB LYS 34 -4.633 17.599 -5.344 268 1HG LYS 34 2HG LYS 34 -5.120 17.100 -7.743 269 2HG LYS 34 1HG LYS 34 -5.109 15.381 -7.332 270 1HD LYS 34 2HD LYS 34 -6.988 15.614 -5.896 271 2HD LYS 34 1HD LYS 34 -6.868 17.373 -5.902 272 1HE LYS 34 2HE LYS 34 -8.726 16.666 -7.284 273 2HE LYS 34 1HE LYS 34 -7.474 17.385 -8.292 274 1HZ LYS 34 1HZ LYS 34 -7.908 14.474 -7.914 275 2HZ LYS 34 2HZ LYS 34 -6.743 15.178 -8.910 276 3HZ LYS 34 3HZ LYS 34 -8.383 15.370 -9.266 277 H GLU 35 H GLU 35 -2.134 16.326 -3.810 278 HA GLU 35 HA GLU 35 -1.547 19.110 -3.174 279 1HB GLU 35 2HB GLU 35 -1.270 18.246 -0.853 280 2HB GLU 35 1HB GLU 35 -2.842 17.884 -1.555 281 1HG GLU 35 2HG GLU 35 -2.164 15.606 -2.006 282 2HG GLU 35 1HG GLU 35 -0.537 15.945 -1.418 283 H PHE 36 H PHE 36 0.152 16.706 -4.567 284 HA PHE 36 HA PHE 36 2.311 16.122 -4.826 285 1HB PHE 36 2HB PHE 36 2.575 18.464 -5.496 286 2HB PHE 36 1HB PHE 36 2.822 18.936 -3.818 287 HD1 PHE 36 1HD PHE 36 5.011 19.503 -3.375 288 HD2 PHE 36 2HD PHE 36 4.236 16.289 -6.068 289 HE1 PHE 36 1HE PHE 36 7.429 19.134 -3.631 290 HE2 PHE 36 2HE PHE 36 6.658 15.918 -6.322 291 HZ PHE 36 HZ PHE 36 8.255 17.344 -5.106 292 H SER 37 H SER 37 1.799 14.646 -3.057 293 HA SER 37 HA SER 37 4.043 14.759 -1.206 294 1HB SER 37 2HB SER 37 2.496 13.776 0.606 295 2HB SER 37 1HB SER 37 2.346 15.503 0.286 296 HG SER 37 HG SER 37 0.299 14.602 0.350 297 H ALA 38 H ALA 38 3.180 13.455 -3.713 298 HA ALA 38 HA ALA 38 2.495 10.734 -3.203 299 1HB ALA 38 1HB ALA 38 1.885 11.850 -5.293 300 2HB ALA 38 2HB ALA 38 2.863 10.413 -5.600 301 3HB ALA 38 3HB ALA 38 3.591 12.017 -5.709 302 H GLU 39 H GLU 39 5.293 12.396 -2.700 303 HA GLU 39 HA GLU 39 7.349 10.761 -3.615 304 1HB GLU 39 2HB GLU 39 7.255 12.244 -0.969 305 2HB GLU 39 1HB GLU 39 8.706 11.655 -1.765 306 1HG GLU 39 2HG GLU 39 8.714 13.909 -2.271 307 2HG GLU 39 1HG GLU 39 8.009 13.189 -3.715 308 H ASN 40 H ASN 40 5.231 10.462 -0.852 309 HA ASN 40 HA ASN 40 6.576 8.458 0.566 310 1HB ASN 40 2HB ASN 40 3.617 9.094 0.425 311 2HB ASN 40 1HB ASN 40 4.339 8.004 1.604 312 1HD2 ASN 40 1HD2 ASN 40 2.885 10.539 1.968 313 2HD2 ASN 40 2HD2 ASN 40 3.949 11.560 2.869 314 H VAL 41 H VAL 41 3.817 8.090 -1.704 315 HA VAL 41 HA VAL 41 3.897 5.259 -1.621 316 HB VAL 41 HB VAL 41 2.444 5.301 -3.639 317 1HG1 VAL 41 1HG1 VAL 41 0.530 6.404 -2.550 318 2HG1 VAL 41 2HG1 VAL 41 1.635 7.158 -1.401 319 3HG1 VAL 41 3HG1 VAL 41 1.454 5.404 -1.427 320 1HG2 VAL 41 1HG2 VAL 41 2.765 8.303 -3.448 321 2HG2 VAL 41 2HG2 VAL 41 1.622 7.456 -4.492 322 3HG2 VAL 41 3HG2 VAL 41 3.357 7.273 -4.753 323 H THR 42 H THR 42 5.411 7.635 -3.746 324 HA THR 42 HA THR 42 6.361 5.833 -5.696 325 HB THR 42 HB THR 42 7.671 8.420 -4.800 326 HG1 THR 42 1HG THR 42 5.821 9.204 -5.505 327 1HG2 THR 42 1HG2 THR 42 7.794 6.935 -7.440 328 2HG2 THR 42 2HG2 THR 42 9.102 7.059 -6.263 329 3HG2 THR 42 3HG2 THR 42 8.536 8.501 -7.104 330 H PHE 43 H PHE 43 7.724 6.991 -2.659 331 HA PHE 43 HA PHE 43 10.205 5.673 -2.745 332 1HB PHE 43 2HB PHE 43 9.585 7.480 -1.162 333 2HB PHE 43 1HB PHE 43 8.487 6.377 -0.348 334 HD1 PHE 43 1HD PHE 43 9.245 5.146 1.476 335 HD2 PHE 43 2HD PHE 43 12.083 6.794 -1.240 336 HE1 PHE 43 1HE PHE 43 11.069 4.494 2.990 337 HE2 PHE 43 2HE PHE 43 13.910 6.136 0.270 338 HZ PHE 43 HZ PHE 43 13.406 4.990 2.387 339 H TRP 44 H TRP 44 7.006 4.665 -1.700 340 HA TRP 44 HA TRP 44 7.826 2.137 -0.652 341 1HB TRP 44 2HB TRP 44 5.719 3.396 -0.019 342 2HB TRP 44 1HB TRP 44 5.051 2.927 -1.578 343 HD1 TRP 44 HD TRP 44 6.101 1.426 1.802 344 HE1 TRP 44 1HE TRP 44 4.954 -0.861 2.071 345 HE3 TRP 44 3HE TRP 44 4.045 1.012 -2.856 346 HZ2 TRP 44 2HZ TRP 44 3.384 -2.615 0.504 347 HZ3 TRP 44 3HZ TRP 44 2.735 -1.000 -3.394 348 HH2 TRP 44 HH TRP 44 2.409 -2.775 -1.748 349 H LYS 45 H LYS 45 6.566 3.267 -3.767 350 HA LYS 45 HA LYS 45 6.275 0.773 -5.032 351 1HB LYS 45 2HB LYS 45 7.045 3.454 -6.221 352 2HB LYS 45 1HB LYS 45 6.610 2.041 -7.171 353 1HG LYS 45 2HG LYS 45 4.362 2.073 -6.199 354 2HG LYS 45 1HG LYS 45 4.802 3.481 -5.227 355 1HD LYS 45 2HD LYS 45 5.263 4.731 -7.326 356 2HD LYS 45 1HD LYS 45 4.701 3.336 -8.249 357 1HE LYS 45 2HE LYS 45 2.492 3.544 -7.154 358 2HE LYS 45 1HE LYS 45 3.069 4.978 -6.304 359 1HZ LYS 45 1HZ LYS 45 1.828 5.624 -8.247 360 2HZ LYS 45 2HZ LYS 45 2.793 4.663 -9.243 361 3HZ LYS 45 3HZ LYS 45 3.455 6.019 -8.484 362 H ALA 46 H ALA 46 9.035 2.838 -4.452 363 HA ALA 46 HA ALA 46 10.911 1.588 -6.104 364 1HB ALA 46 1HB ALA 46 11.406 2.961 -3.459 365 2HB ALA 46 2HB ALA 46 11.271 3.766 -5.022 366 3HB ALA 46 3HB ALA 46 12.603 2.652 -4.719 367 H CYS 47 H CYS 47 9.626 0.651 -2.970 368 HA CYS 47 HA CYS 47 11.747 -1.213 -2.425 369 1HB CYS 47 2HB CYS 47 10.590 -1.795 -0.442 370 2HB CYS 47 1HB CYS 47 10.328 -0.071 -0.652 371 HG CYS 47 HG CYS 47 7.796 -1.245 -2.126 372 H GLU 48 H GLU 48 8.559 -1.381 -3.930 373 HA GLU 48 HA GLU 48 8.548 -4.265 -3.937 374 1HB GLU 48 2HB GLU 48 6.483 -4.155 -5.121 375 2HB GLU 48 1HB GLU 48 6.446 -2.888 -3.911 376 1HG GLU 48 2HG GLU 48 5.567 -1.771 -5.690 377 2HG GLU 48 1HG GLU 48 7.273 -1.391 -5.909 378 H ARG 49 H ARG 49 9.589 -1.705 -6.033 379 HA ARG 49 HA ARG 49 10.144 -3.409 -8.290 380 1HB ARG 49 2HB ARG 49 9.652 -0.873 -8.304 381 2HB ARG 49 1HB ARG 49 11.321 -0.669 -7.794 382 1HG ARG 49 2HG ARG 49 11.962 -0.750 -9.924 383 2HG ARG 49 1HG ARG 49 11.366 -2.408 -10.029 384 1HD ARG 49 2HD ARG 49 9.878 0.140 -10.657 385 2HD ARG 49 1HD ARG 49 10.301 -1.169 -11.762 386 HE ARG 49 HE ARG 49 8.565 -1.886 -9.540 387 1HH1 ARG 49 1HH1 ARG 49 8.740 -0.905 -12.903 388 2HH1 ARG 49 2HH1 ARG 49 7.181 -1.562 -13.294 389 1HH2 ARG 49 1HH2 ARG 49 6.520 -2.673 -10.021 390 2HH2 ARG 49 2HH2 ARG 49 5.890 -2.539 -11.638 391 H PHE 50 H PHE 50 11.642 -2.730 -5.338 392 HA PHE 50 HA PHE 50 14.344 -3.333 -6.265 393 1HB PHE 50 2HB PHE 50 13.804 -1.508 -4.568 394 2HB PHE 50 1HB PHE 50 13.433 -2.793 -3.428 395 HD1 PHE 50 1HD PHE 50 16.037 -0.897 -5.068 396 HD2 PHE 50 2HD PHE 50 15.253 -4.323 -2.664 397 HE1 PHE 50 1HE PHE 50 18.410 -0.997 -4.443 398 HE2 PHE 50 2HE PHE 50 17.629 -4.424 -2.038 399 HZ PHE 50 HZ PHE 50 19.211 -2.763 -2.925 400 H GLN 51 H GLN 51 11.800 -4.677 -4.209 401 HA GLN 51 HA GLN 51 13.356 -6.826 -3.195 402 1HB GLN 51 2HB GLN 51 11.272 -7.685 -2.286 403 2HB GLN 51 1HB GLN 51 11.372 -5.947 -2.030 404 1HG GLN 51 2HG GLN 51 9.871 -5.582 -3.934 405 2HG GLN 51 1HG GLN 51 9.765 -7.324 -4.179 406 1HE2 GLN 51 1HE2 GLN 51 8.854 -4.655 -2.140 407 2HE2 GLN 51 2HE2 GLN 51 7.628 -5.492 -1.251 408 H GLN 52 H GLN 52 12.001 -6.345 -6.249 409 HA GLN 52 HA GLN 52 11.427 -9.093 -6.853 410 1HB GLN 52 2HB GLN 52 11.171 -8.365 -9.149 411 2HB GLN 52 1HB GLN 52 10.374 -7.227 -8.076 412 1HG GLN 52 2HG GLN 52 12.189 -5.654 -8.316 413 2HG GLN 52 1HG GLN 52 13.095 -6.807 -9.296 414 1HE2 GLN 52 1HE2 GLN 52 12.422 -7.218 -11.419 415 2HE2 GLN 52 2HE2 GLN 52 11.334 -6.167 -12.254 416 H ILE 53 H ILE 53 14.231 -7.186 -6.643 417 HA ILE 53 HA ILE 53 15.918 -8.653 -8.424 418 HB ILE 53 HB ILE 53 16.734 -6.974 -6.033 419 1HG1 ILE 53 2HG1 ILE 53 16.441 -6.122 -8.934 420 2HG1 ILE 53 1HG1 ILE 53 15.301 -5.727 -7.653 421 1HG2 ILE 53 1HG2 ILE 53 18.872 -6.720 -7.234 422 2HG2 ILE 53 2HG2 ILE 53 18.293 -7.819 -8.486 423 3HG2 ILE 53 3HG2 ILE 53 18.536 -8.404 -6.840 424 1HD1 ILE 53 1HD1 ILE 53 18.181 -4.855 -7.787 425 2HD1 ILE 53 2HD1 ILE 53 17.048 -4.467 -6.492 426 3HD1 ILE 53 3HD1 ILE 53 16.767 -3.858 -8.123 427 HA PRO 54 HA PRO 54 16.227 -12.296 -5.886 428 1HB PRO 54 2HB PRO 54 18.592 -12.988 -7.517 429 2HB PRO 54 1HB PRO 54 17.046 -13.830 -7.359 430 1HG PRO 54 2HG PRO 54 17.688 -12.505 -9.599 431 2HG PRO 54 1HG PRO 54 16.024 -12.530 -8.984 432 1HD PRO 54 2HD PRO 54 18.105 -10.376 -8.724 433 2HD PRO 54 1HD PRO 54 16.382 -10.229 -9.139 434 H ALA 55 H ALA 55 18.150 -9.775 -5.400 435 HA ALA 55 HA ALA 55 19.491 -9.226 -3.644 436 1HB ALA 55 1HB ALA 55 18.258 -10.909 -2.344 437 2HB ALA 55 2HB ALA 55 19.950 -10.801 -1.863 438 3HB ALA 55 3HB ALA 55 19.405 -12.143 -2.869 439 H SER 56 H SER 56 20.515 -12.257 -5.220 440 HA SER 56 HA SER 56 23.226 -12.120 -4.631 441 1HB SER 56 2HB SER 56 22.115 -14.118 -5.568 442 2HB SER 56 1HB SER 56 21.918 -13.284 -7.108 443 HG SER 56 HG SER 56 23.821 -14.014 -7.569 444 H ASP 57 H ASP 57 21.348 -10.406 -7.007 445 HA ASP 57 HA ASP 57 23.605 -9.425 -8.496 446 1HB ASP 57 2HB ASP 57 20.717 -8.509 -8.441 447 2HB ASP 57 1HB ASP 57 21.933 -7.926 -9.571 448 H THR 58 H THR 58 24.780 -8.733 -6.553 449 HA THR 58 HA THR 58 23.905 -6.727 -4.805 450 HB THR 58 HB THR 58 26.770 -7.260 -5.640 451 HG1 THR 58 1HG THR 58 24.954 -8.753 -4.159 452 1HG2 THR 58 1HG2 THR 58 25.602 -6.164 -3.068 453 2HG2 THR 58 2HG2 THR 58 26.498 -5.240 -4.275 454 3HG2 THR 58 3HG2 THR 58 27.307 -6.509 -3.356 455 H GLN 59 H GLN 59 25.735 -6.535 -7.836 456 HA GLN 59 HA GLN 59 26.278 -3.799 -7.870 457 1HB GLN 59 2HB GLN 59 26.464 -4.049 -10.329 458 2HB GLN 59 1HB GLN 59 27.305 -5.326 -9.461 459 1HG GLN 59 2HG GLN 59 25.467 -6.865 -9.899 460 2HG GLN 59 1HG GLN 59 24.572 -5.587 -10.717 461 1HE2 GLN 59 1HE2 GLN 59 24.470 -6.754 -12.634 462 2HE2 GLN 59 2HE2 GLN 59 25.849 -6.979 -13.657 463 H GLN 60 H GLN 60 23.420 -5.583 -8.843 464 HA GLN 60 HA GLN 60 22.066 -3.390 -10.063 465 1HB GLN 60 2HB GLN 60 21.629 -5.761 -10.619 466 2HB GLN 60 1HB GLN 60 20.983 -6.014 -9.006 467 1HG GLN 60 2HG GLN 60 19.145 -4.521 -9.459 468 2HG GLN 60 1HG GLN 60 19.822 -4.113 -11.035 469 1HE2 GLN 60 1HE2 GLN 60 20.667 -6.860 -11.583 470 2HE2 GLN 60 2HE2 GLN 60 19.226 -7.735 -11.965 471 H LEU 61 H LEU 61 21.853 -5.004 -6.905 472 HA LEU 61 HA LEU 61 19.807 -3.543 -5.736 473 1HB LEU 61 2HB LEU 61 22.349 -4.556 -4.436 474 2HB LEU 61 1HB LEU 61 20.920 -4.031 -3.565 475 HG LEU 61 HG LEU 61 21.036 -6.411 -5.434 476 1HD1 LEU 61 1HD1 LEU 61 20.883 -7.755 -3.397 477 2HD1 LEU 61 2HD1 LEU 61 20.975 -6.292 -2.416 478 3HD1 LEU 61 3HD1 LEU 61 22.350 -6.776 -3.409 479 1HD2 LEU 61 1HD2 LEU 61 18.819 -5.373 -5.334 480 2HD2 LEU 61 2HD2 LEU 61 18.849 -5.472 -3.573 481 3HD2 LEU 61 3HD2 LEU 61 18.830 -6.946 -4.539 482 H ALA 62 H ALA 62 23.235 -2.781 -6.047 483 HA ALA 62 HA ALA 62 23.293 -0.450 -4.483 484 1HB ALA 62 1HB ALA 62 25.390 0.058 -5.632 485 2HB ALA 62 2HB ALA 62 25.027 -1.163 -6.854 486 3HB ALA 62 3HB ALA 62 25.314 -1.645 -5.183 487 H GLN 63 H GLN 63 22.519 -0.971 -7.892 488 HA GLN 63 HA GLN 63 22.617 1.722 -8.716 489 1HB GLN 63 2HB GLN 63 20.897 -0.495 -9.863 490 2HB GLN 63 1HB GLN 63 21.332 1.006 -10.670 491 1HG GLN 63 2HG GLN 63 23.205 -1.217 -9.876 492 2HG GLN 63 1HG GLN 63 22.680 -0.812 -11.508 493 1HE2 GLN 63 1HE2 GLN 63 24.674 0.146 -8.815 494 2HE2 GLN 63 2HE2 GLN 63 25.646 1.284 -9.680 495 H GLU 64 H GLU 64 19.746 -0.283 -8.004 496 HA GLU 64 HA GLU 64 17.903 1.829 -8.069 497 1HB GLU 64 2HB GLU 64 17.866 -0.935 -6.909 498 2HB GLU 64 1HB GLU 64 16.565 0.173 -6.505 499 1HG GLU 64 2HG GLU 64 15.943 -1.257 -8.360 500 2HG GLU 64 1HG GLU 64 16.014 0.428 -8.859 501 H ALA 65 H ALA 65 19.594 0.370 -5.283 502 HA ALA 65 HA ALA 65 18.281 1.826 -3.278 503 1HB ALA 65 1HB ALA 65 20.153 1.222 -1.820 504 2HB ALA 65 2HB ALA 65 21.091 0.721 -3.229 505 3HB ALA 65 3HB ALA 65 19.622 -0.152 -2.791 506 H ARG 66 H ARG 66 21.271 2.559 -5.041 507 HA ARG 66 HA ARG 66 21.960 4.859 -3.539 508 1HB ARG 66 2HB ARG 66 23.530 3.564 -4.968 509 2HB ARG 66 1HB ARG 66 22.703 4.168 -6.396 510 1HG ARG 66 2HG ARG 66 23.364 6.450 -5.826 511 2HG ARG 66 1HG ARG 66 24.176 5.857 -4.373 512 1HD ARG 66 2HD ARG 66 25.664 4.494 -5.782 513 2HD ARG 66 1HD ARG 66 24.864 5.123 -7.223 514 HE ARG 66 HE ARG 66 25.823 7.262 -5.648 515 1HH1 ARG 66 1HH1 ARG 66 26.994 4.685 -7.714 516 2HH1 ARG 66 2HH1 ARG 66 28.392 5.569 -8.236 517 1HH2 ARG 66 1HH2 ARG 66 27.674 8.405 -6.287 518 2HH2 ARG 66 2HH2 ARG 66 28.792 7.687 -7.407 519 H ASN 67 H ASN 67 19.964 4.354 -6.387 520 HA ASN 67 HA ASN 67 19.557 7.087 -7.024 521 1HB ASN 67 2HB ASN 67 17.921 4.606 -7.594 522 2HB ASN 67 1HB ASN 67 17.454 6.203 -8.169 523 1HD2 ASN 67 1HD2 ASN 67 18.211 3.777 -9.641 524 2HD2 ASN 67 2HD2 ASN 67 19.520 4.243 -10.668 525 H ILE 68 H ILE 68 17.622 4.756 -5.147 526 HA ILE 68 HA ILE 68 15.598 6.426 -4.245 527 HB ILE 68 HB ILE 68 16.977 4.217 -2.684 528 1HG1 ILE 68 2HG1 ILE 68 14.481 4.109 -4.407 529 2HG1 ILE 68 1HG1 ILE 68 16.060 3.491 -4.881 530 1HG2 ILE 68 1HG2 ILE 68 15.662 5.652 -1.217 531 2HG2 ILE 68 2HG2 ILE 68 14.890 4.077 -1.393 532 3HG2 ILE 68 3HG2 ILE 68 14.259 5.472 -2.270 533 1HD1 ILE 68 1HD1 ILE 68 14.608 1.700 -4.145 534 2HD1 ILE 68 2HD1 ILE 68 14.381 2.495 -2.588 535 3HD1 ILE 68 3HD1 ILE 68 15.971 1.879 -3.042 536 H TYR 69 H TYR 69 18.833 5.907 -2.960 537 HA TYR 69 HA TYR 69 18.708 7.500 -0.675 538 1HB TYR 69 2HB TYR 69 20.553 5.970 -1.067 539 2HB TYR 69 1HB TYR 69 21.036 6.857 -2.503 540 HD1 TYR 69 1HD TYR 69 20.798 7.102 1.197 541 HD2 TYR 69 2HD TYR 69 22.531 8.685 -2.358 542 HE1 TYR 69 1HE TYR 69 22.343 8.448 2.559 543 HE2 TYR 69 2HE TYR 69 24.073 10.036 -1.014 544 HH TYR 69 HH TYR 69 24.266 10.954 1.219 545 H GLN 70 H GLN 70 19.950 8.380 -3.918 546 HA GLN 70 HA GLN 70 20.488 11.056 -3.149 547 1HB GLN 70 2HB GLN 70 20.346 9.764 -5.870 548 2HB GLN 70 1HB GLN 70 20.831 11.436 -5.613 549 1HG GLN 70 2HG GLN 70 22.681 10.659 -4.181 550 2HG GLN 70 1HG GLN 70 22.221 8.992 -4.512 551 1HE2 GLN 70 1HE2 GLN 70 23.688 11.870 -5.771 552 2HE2 GLN 70 2HE2 GLN 70 24.339 11.157 -7.206 553 H GLU 71 H GLU 71 17.673 9.520 -4.539 554 HA GLU 71 HA GLU 71 16.485 12.014 -5.351 555 1HB GLU 71 2HB GLU 71 15.693 9.148 -5.491 556 2HB GLU 71 1HB GLU 71 14.396 10.333 -5.508 557 1HG GLU 71 2HG GLU 71 14.990 9.739 -7.760 558 2HG GLU 71 1HG GLU 71 15.419 11.418 -7.453 559 H PHE 72 H PHE 72 15.962 9.729 -2.671 560 HA PHE 72 HA PHE 72 13.838 11.523 -1.675 561 1HB PHE 72 2HB PHE 72 14.281 8.586 -1.077 562 2HB PHE 72 1HB PHE 72 12.951 9.568 -0.475 563 HD1 PHE 72 1HD PHE 72 11.104 10.190 -1.921 564 HD2 PHE 72 2HD PHE 72 14.346 7.848 -3.391 565 HE1 PHE 72 1HE PHE 72 9.775 9.595 -3.902 566 HE2 PHE 72 2HE PHE 72 13.020 7.254 -5.375 567 HZ PHE 72 HZ PHE 72 10.732 8.128 -5.635 568 H LEU 73 H LEU 73 16.960 10.228 -0.837 569 HA LEU 73 HA LEU 73 16.458 10.869 2.008 570 1HB LEU 73 2HB LEU 73 18.168 8.631 0.914 571 2HB LEU 73 1HB LEU 73 17.882 8.977 2.610 572 HG LEU 73 HG LEU 73 15.740 8.139 0.640 573 1HD1 LEU 73 1HD1 LEU 73 17.322 6.328 1.043 574 2HD1 LEU 73 2HD1 LEU 73 15.762 5.988 1.788 575 3HD1 LEU 73 3HD1 LEU 73 17.117 6.521 2.785 576 1HD2 LEU 73 1HD2 LEU 73 15.653 8.480 3.642 577 2HD2 LEU 73 2HD2 LEU 73 14.350 7.837 2.640 578 3HD2 LEU 73 3HD2 LEU 73 14.863 9.513 2.449 579 H SER 74 H SER 74 18.200 11.981 -0.546 580 HA SER 74 HA SER 74 20.813 12.123 0.626 581 1HB SER 74 2HB SER 74 21.382 13.567 -1.265 582 2HB SER 74 1HB SER 74 20.482 12.155 -1.807 583 HG SER 74 HG SER 74 19.078 13.459 -2.618 584 H SER 75 H SER 75 21.711 14.663 0.331 585 HA SER 75 HA SER 75 21.275 15.802 2.779 586 1HB SER 75 2HB SER 75 22.032 17.338 0.278 587 2HB SER 75 1HB SER 75 22.450 17.744 1.945 588 HG SER 75 HG SER 75 23.994 16.289 1.926 589 H GLN 76 H GLN 76 19.885 16.992 -0.288 590 HA GLN 76 HA GLN 76 17.685 18.213 1.262 591 1HB GLN 76 2HB GLN 76 18.757 19.011 -1.461 592 2HB GLN 76 1HB GLN 76 17.402 19.771 -0.639 593 1HG GLN 76 2HG GLN 76 20.228 19.708 0.412 594 2HG GLN 76 1HG GLN 76 19.516 21.048 -0.482 595 1HE2 GLN 76 1HE2 GLN 76 19.830 22.462 1.230 596 2HE2 GLN 76 2HE2 GLN 76 18.873 22.404 2.670 597 H ALA 77 H ALA 77 18.581 16.349 -1.564 598 HA ALA 77 HA ALA 77 17.552 14.650 -2.638 599 1HB ALA 77 1HB ALA 77 15.528 13.630 -1.727 600 2HB ALA 77 2HB ALA 77 15.338 14.984 -0.614 601 3HB ALA 77 3HB ALA 77 16.732 13.910 -0.468 602 H LEU 78 H LEU 78 16.102 14.319 -4.316 603 HA LEU 78 HA LEU 78 15.139 16.715 -5.546 604 1HB LEU 78 2HB LEU 78 14.938 13.800 -6.324 605 2HB LEU 78 1HB LEU 78 14.273 15.095 -7.301 606 HG LEU 78 HG LEU 78 16.572 16.046 -7.536 607 1HD1 LEU 78 1HD1 LEU 78 17.603 15.123 -5.533 608 2HD1 LEU 78 2HD1 LEU 78 18.504 14.657 -6.975 609 3HD1 LEU 78 3HD1 LEU 78 17.443 13.491 -6.185 610 1HD2 LEU 78 1HD2 LEU 78 16.246 13.189 -8.458 611 2HD2 LEU 78 2HD2 LEU 78 17.359 14.378 -9.141 612 3HD2 LEU 78 3HD2 LEU 78 15.617 14.622 -9.272 613 H SER 79 H SER 79 13.706 13.979 -3.899 614 HA SER 79 HA SER 79 11.310 15.510 -3.363 615 1HB SER 79 2HB SER 79 11.099 12.815 -4.754 616 2HB SER 79 1HB SER 79 9.756 13.826 -4.217 617 HG SER 79 HG SER 79 11.054 15.427 -5.705 618 HA PRO 80 HA PRO 80 12.894 12.920 0.088 619 1HB PRO 80 2HB PRO 80 12.395 14.699 2.071 620 2HB PRO 80 1HB PRO 80 13.816 14.817 1.026 621 1HG PRO 80 2HG PRO 80 11.218 16.303 0.861 622 2HG PRO 80 1HG PRO 80 12.872 16.920 0.677 623 1HD PRO 80 2HD PRO 80 11.259 16.356 -1.442 624 2HD PRO 80 1HD PRO 80 13.027 16.210 -1.512 625 H VAL 81 H VAL 81 11.854 11.704 1.629 626 HA VAL 81 HA VAL 81 8.918 11.851 1.658 627 HB VAL 81 HB VAL 81 9.094 9.544 2.708 628 1HG1 VAL 81 1HG1 VAL 81 8.514 9.899 0.351 629 2HG1 VAL 81 2HG1 VAL 81 9.446 8.421 0.588 630 3HG1 VAL 81 3HG1 VAL 81 10.227 9.859 -0.072 631 1HG2 VAL 81 1HG2 VAL 81 11.964 9.778 1.783 632 2HG2 VAL 81 2HG2 VAL 81 11.187 8.312 2.382 633 3HG2 VAL 81 3HG2 VAL 81 11.421 9.688 3.460 634 H ASN 82 H ASN 82 7.833 11.345 3.717 635 HA ASN 82 HA ASN 82 8.920 13.063 5.765 636 1HB ASN 82 2HB ASN 82 6.530 13.163 5.089 637 2HB ASN 82 1HB ASN 82 6.299 11.542 5.734 638 1HD2 ASN 82 1HD2 ASN 82 4.755 12.279 7.199 639 2HD2 ASN 82 2HD2 ASN 82 5.179 13.186 8.605 640 H ILE 83 H ILE 83 10.713 11.299 5.885 641 HA ILE 83 HA ILE 83 10.169 9.818 8.372 642 HB ILE 83 HB ILE 83 11.632 7.981 7.703 643 1HG1 ILE 83 2HG1 ILE 83 11.797 9.393 5.024 644 2HG1 ILE 83 1HG1 ILE 83 13.111 9.188 6.174 645 1HG2 ILE 83 1HG2 ILE 83 9.452 8.438 5.666 646 2HG2 ILE 83 2HG2 ILE 83 9.249 7.729 7.267 647 3HG2 ILE 83 3HG2 ILE 83 10.202 6.887 6.045 648 1HD1 ILE 83 1HD1 ILE 83 13.034 6.777 5.841 649 2HD1 ILE 83 2HD1 ILE 83 13.304 7.635 4.325 650 3HD1 ILE 83 3HD1 ILE 83 11.711 6.975 4.691 651 H ASP 84 H ASP 84 12.482 9.129 9.285 652 HA ASP 84 HA ASP 84 14.016 11.617 9.341 653 1HB ASP 84 2HB ASP 84 15.007 10.854 11.369 654 2HB ASP 84 1HB ASP 84 13.301 10.440 11.480 655 H ARG 85 H ARG 85 16.040 11.814 8.570 656 HA ARG 85 HA ARG 85 17.422 9.379 7.634 657 1HB ARG 85 2HB ARG 85 17.708 12.255 6.712 658 2HB ARG 85 1HB ARG 85 18.809 10.969 6.241 659 1HG ARG 85 2HG ARG 85 17.345 11.148 4.437 660 2HG ARG 85 1HG ARG 85 16.734 9.760 5.339 661 1HD ARG 85 2HD ARG 85 14.866 11.110 4.681 662 2HD ARG 85 1HD ARG 85 15.077 11.283 6.425 663 HE ARG 85 HE ARG 85 16.494 13.340 5.145 664 1HH1 ARG 85 1HH1 ARG 85 13.182 12.342 5.724 665 2HH1 ARG 85 2HH1 ARG 85 12.540 13.946 5.582 666 1HH2 ARG 85 1HH2 ARG 85 15.636 15.461 4.978 667 2HH2 ARG 85 2HH2 ARG 85 13.931 15.710 5.172 668 H GLN 86 H GLN 86 17.170 10.681 10.306 669 HA GLN 86 HA GLN 86 19.865 11.663 10.861 670 1HB GLN 86 2HB GLN 86 17.589 11.373 12.834 671 2HB GLN 86 1HB GLN 86 18.991 12.427 12.946 672 1HG GLN 86 2HG GLN 86 16.685 12.714 11.022 673 2HG GLN 86 1HG GLN 86 16.996 13.704 12.446 674 1HE2 GLN 86 1HE2 GLN 86 18.625 15.243 12.383 675 2HE2 GLN 86 2HE2 GLN 86 19.358 15.759 10.903 676 H ALA 87 H ALA 87 17.598 9.145 11.881 677 HA ALA 87 HA ALA 87 19.763 7.658 13.208 678 1HB ALA 87 1HB ALA 87 17.929 6.336 14.198 679 2HB ALA 87 2HB ALA 87 16.758 7.313 13.306 680 3HB ALA 87 3HB ALA 87 17.766 8.057 14.547 681 H TRP 88 H TRP 88 19.217 7.951 10.275 682 HA TRP 88 HA TRP 88 18.204 5.463 9.296 683 1HB TRP 88 2HB TRP 88 18.198 7.741 8.118 684 2HB TRP 88 1HB TRP 88 19.900 7.460 7.777 685 HD1 TRP 88 HD TRP 88 16.569 5.537 7.210 686 HE1 TRP 88 1HE TRP 88 16.659 4.474 4.868 687 HE3 TRP 88 3HE TRP 88 21.258 7.019 5.823 688 HZ2 TRP 88 2HZ TRP 88 18.472 4.292 2.723 689 HZ3 TRP 88 3HZ TRP 88 22.092 6.356 3.602 690 HH2 TRP 88 HH TRP 88 20.726 5.023 2.089 691 H LEU 89 H LEU 89 19.711 4.245 7.636 692 HA LEU 89 HA LEU 89 21.679 2.941 9.173 693 1HB LEU 89 2HB LEU 89 21.208 2.863 6.183 694 2HB LEU 89 1HB LEU 89 22.282 1.781 7.046 695 HG LEU 89 HG LEU 89 20.233 1.027 8.376 696 1HD1 LEU 89 1HD1 LEU 89 18.053 1.343 7.307 697 2HD1 LEU 89 2HD1 LEU 89 18.784 2.437 6.132 698 3HD1 LEU 89 3HD1 LEU 89 18.744 2.876 7.840 699 1HD2 LEU 89 1HD2 LEU 89 19.511 -0.526 6.628 700 2HD2 LEU 89 2HD2 LEU 89 21.266 -0.352 6.650 701 3HD2 LEU 89 3HD2 LEU 89 20.314 0.464 5.408 702 H GLY 90 H GLY 90 22.156 4.754 6.138 703 1HA GLY 90 2HA GLY 90 23.776 6.691 6.406 704 2HA GLY 90 1HA GLY 90 24.856 5.480 7.087 705 H GLU 91 H GLU 91 26.173 6.429 5.257 706 HA GLU 91 HA GLU 91 25.505 5.806 2.557 707 1HB GLU 91 2HB GLU 91 28.169 6.505 3.823 708 2HB GLU 91 1HB GLU 91 27.847 6.476 2.092 709 1HG GLU 91 2HG GLU 91 26.299 8.300 2.279 710 2HG GLU 91 1HG GLU 91 26.383 8.253 4.039 711 H GLU 92 H GLU 92 26.594 3.927 5.122 712 HA GLU 92 HA GLU 92 28.426 2.170 3.897 713 1HB GLU 92 2HB GLU 92 27.961 0.695 5.838 714 2HB GLU 92 1HB GLU 92 28.276 2.357 6.322 715 1HG GLU 92 2HG GLU 92 25.883 2.746 6.601 716 2HG GLU 92 1HG GLU 92 25.546 1.098 6.078 717 H VAL 93 H VAL 93 24.943 2.304 3.983 718 HA VAL 93 HA VAL 93 24.648 -0.426 3.109 719 HB VAL 93 HB VAL 93 23.000 0.569 4.647 720 1HG1 VAL 93 1HG1 VAL 93 22.220 2.297 2.301 721 2HG1 VAL 93 2HG1 VAL 93 22.965 2.841 3.803 722 3HG1 VAL 93 3HG1 VAL 93 21.336 2.169 3.822 723 1HG2 VAL 93 1HG2 VAL 93 21.828 -0.272 1.991 724 2HG2 VAL 93 2HG2 VAL 93 20.975 -0.264 3.535 725 3HG2 VAL 93 3HG2 VAL 93 22.346 -1.347 3.290 726 H LEU 94 H LEU 94 25.177 2.575 1.622 727 HA LEU 94 HA LEU 94 24.061 1.768 -0.945 728 1HB LEU 94 2HB LEU 94 25.682 4.192 -0.136 729 2HB LEU 94 1HB LEU 94 25.146 3.887 -1.776 730 HG LEU 94 HG LEU 94 23.618 5.445 -0.900 731 1HD1 LEU 94 1HD1 LEU 94 22.317 2.738 -0.617 732 2HD1 LEU 94 2HD1 LEU 94 22.544 3.629 -2.121 733 3HD1 LEU 94 3HD1 LEU 94 21.486 4.274 -0.868 734 1HD2 LEU 94 1HD2 LEU 94 22.443 5.186 1.227 735 2HD2 LEU 94 2HD2 LEU 94 24.189 5.255 1.454 736 3HD2 LEU 94 3HD2 LEU 94 23.349 3.707 1.552 737 H ALA 95 H ALA 95 27.093 1.800 0.753 738 HA ALA 95 HA ALA 95 28.699 1.057 -1.511 739 1HB ALA 95 1HB ALA 95 29.704 2.179 0.412 740 2HB ALA 95 2HB ALA 95 30.443 0.596 0.165 741 3HB ALA 95 3HB ALA 95 29.259 0.827 1.453 742 H GLU 96 H GLU 96 27.093 -0.595 1.151 743 HA GLU 96 HA GLU 96 27.420 -3.160 -0.273 744 1HB GLU 96 2HB GLU 96 27.241 -2.790 2.728 745 2HB GLU 96 1HB GLU 96 27.507 -4.300 1.869 746 1HG GLU 96 2HG GLU 96 29.681 -3.565 1.142 747 2HG GLU 96 1HG GLU 96 29.414 -1.964 1.830 748 HA PRO 97 HA PRO 97 22.941 -2.385 0.110 749 1HB PRO 97 2HB PRO 97 22.213 -3.120 -2.343 750 2HB PRO 97 1HB PRO 97 23.077 -1.598 -2.072 751 1HG PRO 97 2HG PRO 97 24.123 -4.210 -3.095 752 2HG PRO 97 1HG PRO 97 24.512 -2.564 -3.622 753 1HD PRO 97 2HD PRO 97 26.043 -4.103 -1.865 754 2HD PRO 97 1HD PRO 97 26.151 -2.340 -2.046 755 H ARG 98 H ARG 98 21.099 -3.726 0.171 756 HA ARG 98 HA ARG 98 21.341 -6.577 -0.297 757 1HB ARG 98 2HB ARG 98 20.323 -7.001 2.050 758 2HB ARG 98 1HB ARG 98 22.050 -6.716 1.937 759 1HG ARG 98 2HG ARG 98 20.281 -4.379 2.476 760 2HG ARG 98 1HG ARG 98 20.549 -5.543 3.773 761 1HD ARG 98 2HD ARG 98 22.707 -4.069 2.247 762 2HD ARG 98 1HD ARG 98 22.153 -3.685 3.877 763 HE ARG 98 HE ARG 98 22.954 -6.369 3.823 764 1HH1 ARG 98 1HH1 ARG 98 24.406 -3.188 3.552 765 2HH1 ARG 98 2HH1 ARG 98 25.917 -3.685 4.242 766 1HH2 ARG 98 1HH2 ARG 98 24.955 -7.018 4.701 767 2HH2 ARG 98 2HH2 ARG 98 26.236 -5.862 4.875 768 HA PRO 99 HA PRO 99 17.346 -6.319 -1.881 769 1HB PRO 99 2HB PRO 99 15.928 -8.350 -0.610 770 2HB PRO 99 1HB PRO 99 17.014 -8.566 -1.987 771 1HG PRO 99 2HG PRO 99 17.559 -8.947 0.935 772 2HG PRO 99 1HG PRO 99 18.061 -9.952 -0.440 773 1HD PRO 99 2HD PRO 99 19.786 -8.281 0.714 774 2HD PRO 99 1HD PRO 99 19.768 -8.473 -1.053 775 H ASP 100 H ASP 100 17.399 -6.371 1.637 776 HA ASP 100 HA ASP 100 14.727 -5.179 1.771 777 1HB ASP 100 2HB ASP 100 14.863 -5.501 4.164 778 2HB ASP 100 1HB ASP 100 15.370 -6.988 3.372 779 H MET 101 H MET 101 18.083 -4.430 2.344 780 HA MET 101 HA MET 101 19.188 -2.578 3.010 781 1HB MET 101 2HB MET 101 18.637 -0.579 1.432 782 2HB MET 101 1HB MET 101 19.325 -2.056 0.788 783 1HG MET 101 2HG MET 101 17.702 -1.547 -0.757 784 2HG MET 101 1HG MET 101 16.871 -2.705 0.276 785 1HE MET 101 1HE MET 101 13.950 -0.327 -0.720 786 2HE MET 101 2HE MET 101 14.502 -1.997 -0.614 787 3HE MET 101 3HE MET 101 15.280 -0.881 -1.736 788 H PHE 102 H PHE 102 16.218 -0.733 2.324 789 HA PHE 102 HA PHE 102 16.623 0.568 4.937 790 1HB PHE 102 2HB PHE 102 14.931 1.774 2.767 791 2HB PHE 102 1HB PHE 102 15.862 2.577 4.021 792 HD1 PHE 102 1HD PHE 102 15.651 2.807 0.819 793 HD2 PHE 102 2HD PHE 102 18.545 1.315 3.567 794 HE1 PHE 102 1HE PHE 102 17.426 3.232 -0.826 795 HE2 PHE 102 2HE PHE 102 20.320 1.741 1.920 796 HZ PHE 102 HZ PHE 102 19.766 2.701 -0.274 797 H ARG 103 H ARG 103 15.121 -1.902 4.233 798 HA ARG 103 HA ARG 103 12.513 -1.973 3.848 799 1HB ARG 103 2HB ARG 103 13.945 -3.898 4.438 800 2HB ARG 103 1HB ARG 103 13.868 -3.420 6.127 801 1HG ARG 103 2HG ARG 103 11.437 -3.795 6.111 802 2HG ARG 103 1HG ARG 103 11.542 -4.305 4.422 803 1HD ARG 103 2HD ARG 103 13.110 -6.104 5.117 804 2HD ARG 103 1HD ARG 103 12.858 -5.631 6.797 805 HE ARG 103 HE ARG 103 10.372 -6.156 5.567 806 1HH1 ARG 103 1HH1 ARG 103 13.218 -7.814 6.772 807 2HH1 ARG 103 2HH1 ARG 103 12.371 -9.300 7.074 808 1HH2 ARG 103 1HH2 ARG 103 9.268 -8.115 5.954 809 2HH2 ARG 103 2HH2 ARG 103 10.141 -9.477 6.598 810 H ALA 104 H ALA 104 13.853 -1.150 7.040 811 HA ALA 104 HA ALA 104 11.439 -0.989 8.434 812 1HB ALA 104 1HB ALA 104 13.987 0.544 8.954 813 2HB ALA 104 2HB ALA 104 13.633 -1.088 9.519 814 3HB ALA 104 3HB ALA 104 12.682 0.275 10.110 815 H GLN 105 H GLN 105 13.255 1.545 6.743 816 HA GLN 105 HA GLN 105 11.510 3.653 7.523 817 1HB GLN 105 2HB GLN 105 13.742 3.416 5.524 818 2HB GLN 105 1HB GLN 105 12.750 4.866 5.586 819 1HG GLN 105 2HG GLN 105 14.826 5.106 6.866 820 2HG GLN 105 1HG GLN 105 13.396 5.270 7.881 821 1HE2 GLN 105 1HE2 GLN 105 16.137 3.270 7.089 822 2HE2 GLN 105 2HE2 GLN 105 16.060 2.263 8.490 823 H GLN 106 H GLN 106 11.751 1.620 4.626 824 HA GLN 106 HA GLN 106 9.750 2.886 3.114 825 1HB GLN 106 2HB GLN 106 10.877 0.110 3.153 826 2HB GLN 106 1HB GLN 106 9.386 0.390 2.268 827 1HG GLN 106 2HG GLN 106 11.118 0.571 0.694 828 2HG GLN 106 1HG GLN 106 10.588 2.217 1.021 829 1HE2 GLN 106 1HE2 GLN 106 13.098 1.265 -0.072 830 2HE2 GLN 106 2HE2 GLN 106 14.340 1.845 0.975 831 H LEU 107 H LEU 107 9.563 0.359 5.581 832 HA LEU 107 HA LEU 107 6.728 0.058 5.395 833 1HB LEU 107 2HB LEU 107 8.355 -1.647 6.335 834 2HB LEU 107 1HB LEU 107 8.473 -0.635 7.763 835 HG LEU 107 HG LEU 107 5.984 -0.902 8.059 836 1HD1 LEU 107 1HD1 LEU 107 4.882 -2.756 6.907 837 2HD1 LEU 107 2HD1 LEU 107 6.319 -2.991 5.912 838 3HD1 LEU 107 3HD1 LEU 107 5.392 -1.495 5.785 839 1HD2 LEU 107 1HD2 LEU 107 7.631 -3.436 8.114 840 2HD2 LEU 107 2HD2 LEU 107 6.138 -3.154 9.010 841 3HD2 LEU 107 3HD2 LEU 107 7.579 -2.207 9.378 842 H GLN 108 H GLN 108 8.890 2.181 7.112 843 HA GLN 108 HA GLN 108 7.086 3.203 9.023 844 1HB GLN 108 2HB GLN 108 9.535 3.606 9.091 845 2HB GLN 108 1HB GLN 108 9.399 4.626 7.667 846 1HG GLN 108 2HG GLN 108 9.572 6.019 9.605 847 2HG GLN 108 1HG GLN 108 7.944 6.164 8.949 848 1HE2 GLN 108 1HE2 GLN 108 8.981 6.699 11.641 849 2HE2 GLN 108 2HE2 GLN 108 8.035 5.734 12.717 850 H ILE 109 H ILE 109 7.904 4.274 5.722 851 HA ILE 109 HA ILE 109 6.064 6.370 5.506 852 HB ILE 109 HB ILE 109 7.289 4.520 3.466 853 1HG1 ILE 109 2HG1 ILE 109 8.694 6.318 4.351 854 2HG1 ILE 109 1HG1 ILE 109 8.326 6.616 2.660 855 1HG2 ILE 109 1HG2 ILE 109 5.068 4.912 2.596 856 2HG2 ILE 109 2HG2 ILE 109 6.241 5.838 1.661 857 3HG2 ILE 109 3HG2 ILE 109 5.234 6.647 2.860 858 1HD1 ILE 109 1HD1 ILE 109 6.940 7.923 4.991 859 2HD1 ILE 109 2HD1 ILE 109 6.659 8.256 3.281 860 3HD1 ILE 109 3HD1 ILE 109 8.214 8.648 4.012 861 H PHE 110 H PHE 110 5.695 2.919 4.787 862 HA PHE 110 HA PHE 110 3.077 2.910 3.871 863 1HB PHE 110 2HB PHE 110 4.523 0.929 3.773 864 2HB PHE 110 1HB PHE 110 4.491 0.795 5.529 865 HD1 PHE 110 1HD PHE 110 2.511 0.417 2.447 866 HD2 PHE 110 2HD PHE 110 2.606 -0.179 6.665 867 HE1 PHE 110 1HE PHE 110 0.498 -0.986 2.293 868 HE2 PHE 110 2HE PHE 110 0.592 -1.583 6.512 869 HZ PHE 110 HZ PHE 110 -0.468 -1.982 4.325 870 H ASN 111 H ASN 111 4.163 2.256 7.203 871 HA ASN 111 HA ASN 111 1.575 2.117 8.309 872 1HB ASN 111 2HB ASN 111 4.267 2.598 9.605 873 2HB ASN 111 1HB ASN 111 2.778 2.387 10.519 874 1HD2 ASN 111 1HD2 ASN 111 5.217 0.773 10.475 875 2HD2 ASN 111 2HD2 ASN 111 4.719 -0.827 10.057 876 H LEU 112 H LEU 112 3.701 4.803 7.684 877 HA LEU 112 HA LEU 112 2.505 6.709 9.388 878 1HB LEU 112 2HB LEU 112 4.687 7.060 8.331 879 2HB LEU 112 1HB LEU 112 3.933 7.089 6.748 880 HG LEU 112 HG LEU 112 2.711 9.156 7.394 881 1HD1 LEU 112 1HD1 LEU 112 2.657 8.841 9.811 882 2HD1 LEU 112 2HD1 LEU 112 3.395 10.386 9.395 883 3HD1 LEU 112 3HD1 LEU 112 4.410 9.031 9.889 884 1HD2 LEU 112 1HD2 LEU 112 4.651 10.650 7.281 885 2HD2 LEU 112 2HD2 LEU 112 4.800 9.303 6.153 886 3HD2 LEU 112 3HD2 LEU 112 5.717 9.296 7.661 887 H MET 113 H MET 113 2.149 6.445 5.840 888 HA MET 113 HA MET 113 -0.139 8.131 5.793 889 1HB MET 113 2HB MET 113 -0.336 7.442 3.413 890 2HB MET 113 1HB MET 113 1.271 8.007 3.843 891 1HG MET 113 2HG MET 113 2.022 5.666 4.014 892 2HG MET 113 1HG MET 113 0.418 5.138 3.505 893 1HE MET 113 1HE MET 113 3.207 4.324 2.070 894 2HE MET 113 2HE MET 113 2.735 4.434 0.374 895 3HE MET 113 3HE MET 113 1.638 3.711 1.550 896 H LYS 114 H LYS 114 0.286 4.798 6.420 897 HA LYS 114 HA LYS 114 -2.162 3.672 5.713 898 1HB LYS 114 2HB LYS 114 -0.229 2.400 6.555 899 2HB LYS 114 1HB LYS 114 -0.448 3.106 8.148 900 1HG LYS 114 2HG LYS 114 -2.549 1.949 8.425 901 2HG LYS 114 1HG LYS 114 -2.468 1.338 6.768 902 1HD LYS 114 2HD LYS 114 -0.402 0.116 7.336 903 2HD LYS 114 1HD LYS 114 -0.519 0.702 8.994 904 1HE LYS 114 2HE LYS 114 -2.620 -0.982 7.633 905 2HE LYS 114 1HE LYS 114 -1.344 -1.630 8.661 906 1HZ LYS 114 1HZ LYS 114 -2.208 -0.297 10.493 907 2HZ LYS 114 2HZ LYS 114 -3.387 -1.349 9.891 908 3HZ LYS 114 3HZ LYS 114 -3.449 0.290 9.500 909 H PHE 115 H PHE 115 -1.336 5.857 8.298 910 HA PHE 115 HA PHE 115 -4.129 5.780 9.263 911 1HB PHE 115 2HB PHE 115 -1.593 6.283 10.848 912 2HB PHE 115 1HB PHE 115 -3.222 6.485 11.485 913 HD1 PHE 115 1HD PHE 115 -4.750 4.458 11.532 914 HD2 PHE 115 2HD PHE 115 -0.549 4.181 10.882 915 HE1 PHE 115 1HE PHE 115 -4.808 2.084 12.171 916 HE2 PHE 115 2HE PHE 115 -0.606 1.809 11.523 917 HZ PHE 115 HZ PHE 115 -2.735 0.756 12.168 918 H ASP 116 H ASP 116 -3.038 7.403 7.124 919 HA ASP 116 HA ASP 116 -3.756 10.022 8.190 920 1HB ASP 116 2HB ASP 116 -1.275 9.901 8.376 921 2HB ASP 116 1HB ASP 116 -1.177 9.607 6.643 922 H SER 117 H SER 117 -2.126 9.392 5.128 923 HA SER 117 HA SER 117 -4.064 10.667 3.579 924 1HB SER 117 2HB SER 117 -1.670 10.333 2.931 925 2HB SER 117 1HB SER 117 -2.021 8.628 2.646 926 HG SER 117 HG SER 117 -2.746 10.880 1.172 927 H TYR 118 H TYR 118 -3.637 7.295 4.481 928 HA TYR 118 HA TYR 118 -5.528 6.115 2.786 929 1HB TYR 118 2HB TYR 118 -4.012 4.751 4.081 930 2HB TYR 118 1HB TYR 118 -4.651 5.384 5.591 931 HD1 TYR 118 1HD TYR 118 -6.126 3.794 2.520 932 HD2 TYR 118 2HD TYR 118 -5.876 3.826 6.773 933 HE1 TYR 118 1HE TYR 118 -7.682 1.893 2.623 934 HE2 TYR 118 2HE TYR 118 -7.433 1.931 6.883 935 HH TYR 118 HH TYR 118 -8.375 0.163 4.049 936 H ALA 119 H ALA 119 -5.901 7.413 6.079 937 HA ALA 119 HA ALA 119 -8.674 7.000 6.318 938 1HB ALA 119 1HB ALA 119 -7.231 7.488 8.242 939 2HB ALA 119 2HB ALA 119 -8.579 8.620 8.154 940 3HB ALA 119 3HB ALA 119 -6.970 9.126 7.638 941 H ARG 120 H ARG 120 -6.772 9.578 4.925 942 HA ARG 120 HA ARG 120 -8.847 11.433 4.456 943 1HB ARG 120 2HB ARG 120 -6.050 11.058 3.586 944 2HB ARG 120 1HB ARG 120 -7.044 11.896 2.417 945 1HG ARG 120 2HG ARG 120 -5.982 13.537 3.764 946 2HG ARG 120 1HG ARG 120 -7.684 13.509 4.224 947 1HD ARG 120 2HD ARG 120 -7.145 12.157 6.182 948 2HD ARG 120 1HD ARG 120 -5.446 12.123 5.709 949 HE ARG 120 HE ARG 120 -6.925 14.509 6.625 950 1HH1 ARG 120 1HH1 ARG 120 -3.888 12.875 5.993 951 2HH1 ARG 120 2HH1 ARG 120 -2.943 14.035 6.861 952 1HH2 ARG 120 1HH2 ARG 120 -5.657 16.043 7.755 953 2HH2 ARG 120 2HH2 ARG 120 -3.936 15.821 7.860 954 H PHE 121 H PHE 121 -7.418 8.923 2.389 955 HA PHE 121 HA PHE 121 -8.805 9.556 0.050 956 1HB PHE 121 2HB PHE 121 -6.821 8.157 0.007 957 2HB PHE 121 1HB PHE 121 -7.634 6.911 0.950 958 HD1 PHE 121 1HD PHE 121 -7.997 8.799 -2.250 959 HD2 PHE 121 2HD PHE 121 -8.612 5.126 -0.174 960 HE1 PHE 121 1HE PHE 121 -8.786 7.760 -4.330 961 HE2 PHE 121 2HE PHE 121 -9.402 4.082 -2.260 962 HZ PHE 121 HZ PHE 121 -9.491 5.396 -4.338 963 H VAL 122 H VAL 122 -9.506 6.956 2.400 964 HA VAL 122 HA VAL 122 -11.740 5.945 1.021 965 HB VAL 122 HB VAL 122 -12.304 4.751 3.103 966 1HG1 VAL 122 1HG1 VAL 122 -10.596 3.825 1.633 967 2HG1 VAL 122 2HG1 VAL 122 -10.202 3.486 3.319 968 3HG1 VAL 122 3HG1 VAL 122 -9.349 4.766 2.455 969 1HG2 VAL 122 1HG2 VAL 122 -10.095 6.407 4.343 970 2HG2 VAL 122 2HG2 VAL 122 -10.903 5.041 5.112 971 3HG2 VAL 122 3HG2 VAL 122 -11.815 6.501 4.729 972 H LYS 123 H LYS 123 -11.449 8.796 2.861 973 HA LYS 123 HA LYS 123 -14.328 8.930 3.408 974 1HB LYS 123 2HB LYS 123 -12.721 9.517 5.217 975 2HB LYS 123 1HB LYS 123 -12.108 10.828 4.217 976 1HG LYS 123 2HG LYS 123 -14.247 11.960 4.312 977 2HG LYS 123 1HG LYS 123 -14.954 10.611 5.202 978 1HD LYS 123 2HD LYS 123 -12.695 12.373 6.171 979 2HD LYS 123 1HD LYS 123 -14.377 12.483 6.687 980 1HE LYS 123 2HE LYS 123 -12.556 10.101 7.086 981 2HE LYS 123 1HE LYS 123 -13.005 11.273 8.324 982 1HZ LYS 123 1HZ LYS 123 -14.906 9.493 6.891 983 2HZ LYS 123 2HZ LYS 123 -15.296 10.584 8.120 984 3HZ LYS 123 3HZ LYS 123 -14.327 9.245 8.461 985 H SER 124 H SER 124 -11.888 10.156 1.293 986 HA SER 124 HA SER 124 -13.351 12.512 0.477 987 1HB SER 124 2HB SER 124 -10.771 11.267 -0.516 988 2HB SER 124 1HB SER 124 -11.423 12.799 -1.102 989 HG SER 124 HG SER 124 -10.603 12.171 1.541 990 HA PRO 125 HA PRO 125 -15.392 11.070 -3.260 991 1HB PRO 125 2HB PRO 125 -13.756 13.031 -4.809 992 2HB PRO 125 1HB PRO 125 -15.512 12.829 -4.747 993 1HG PRO 125 2HG PRO 125 -14.352 14.862 -3.489 994 2HG PRO 125 1HG PRO 125 -15.704 13.992 -2.737 995 1HD PRO 125 2HD PRO 125 -12.766 13.781 -2.177 996 2HD PRO 125 1HD PRO 125 -14.132 13.788 -1.041 997 H LEU 126 H LEU 126 -14.720 10.669 -5.736 998 HA LEU 126 HA LEU 126 -13.682 9.304 -7.194 999 1HB LEU 126 2HB LEU 126 -11.257 9.775 -5.458 1000 2HB LEU 126 1HB LEU 126 -11.223 8.852 -6.949 1001 HG LEU 126 HG LEU 126 -11.849 11.798 -6.662 1002 1HD1 LEU 126 1HD1 LEU 126 -9.476 11.271 -6.503 1003 2HD1 LEU 126 2HD1 LEU 126 -9.835 12.107 -8.013 1004 3HD1 LEU 126 3HD1 LEU 126 -9.561 10.365 -8.014 1005 1HD2 LEU 126 1HD2 LEU 126 -13.280 10.851 -8.381 1006 2HD2 LEU 126 2HD2 LEU 126 -11.893 10.071 -9.141 1007 3HD2 LEU 126 3HD2 LEU 126 -12.012 11.830 -9.118 1008 H TYR 127 H TYR 127 -12.587 8.426 -3.890 1009 HA TYR 127 HA TYR 127 -12.634 5.663 -4.190 1010 1HB TYR 127 2HB TYR 127 -11.752 6.638 -2.161 1011 2HB TYR 127 1HB TYR 127 -13.298 7.390 -1.784 1012 HD1 TYR 127 1HD TYR 127 -14.788 6.295 -0.343 1013 HD2 TYR 127 2HD TYR 127 -11.720 4.033 -2.242 1014 HE1 TYR 127 1HE TYR 127 -15.413 4.329 0.997 1015 HE2 TYR 127 2HE TYR 127 -12.343 2.064 -0.909 1016 HH TYR 127 HH TYR 127 -15.218 1.928 0.950 1017 H ARG 128 H ARG 128 -15.230 7.715 -2.870 1018 HA ARG 128 HA ARG 128 -17.182 5.685 -2.864 1019 1HB ARG 128 2HB ARG 128 -18.806 7.545 -2.535 1020 2HB ARG 128 1HB ARG 128 -17.439 7.599 -1.431 1021 1HG ARG 128 2HG ARG 128 -16.387 9.299 -2.935 1022 2HG ARG 128 1HG ARG 128 -17.890 9.324 -3.859 1023 1HD ARG 128 2HD ARG 128 -17.908 11.156 -2.299 1024 2HD ARG 128 1HD ARG 128 -19.098 9.962 -1.783 1025 HE ARG 128 HE ARG 128 -16.408 10.057 -0.571 1026 1HH1 ARG 128 1HH1 ARG 128 -19.895 10.158 -0.244 1027 2HH1 ARG 128 2HH1 ARG 128 -19.867 10.110 1.487 1028 1HH2 ARG 128 1HH2 ARG 128 -16.366 10.022 1.717 1029 2HH2 ARG 128 2HH2 ARG 128 -17.858 10.013 2.604 1030 H GLU 129 H GLU 129 -16.146 7.921 -5.352 1031 HA GLU 129 HA GLU 129 -18.294 7.398 -7.157 1032 1HB GLU 129 2HB GLU 129 -15.557 8.607 -7.459 1033 2HB GLU 129 1HB GLU 129 -16.503 8.212 -8.887 1034 1HG GLU 129 2HG GLU 129 -16.712 10.570 -8.179 1035 2HG GLU 129 1HG GLU 129 -18.249 9.710 -8.236 1036 H CYS 130 H CYS 130 -15.303 5.780 -6.383 1037 HA CYS 130 HA CYS 130 -15.355 4.013 -8.644 1038 1HB CYS 130 2HB CYS 130 -13.257 4.511 -7.424 1039 2HB CYS 130 1HB CYS 130 -13.909 3.712 -5.996 1040 HG CYS 130 HG CYS 130 -14.283 1.418 -8.071 1041 H LEU 131 H LEU 131 -16.617 4.006 -5.366 1042 HA LEU 131 HA LEU 131 -17.694 1.366 -5.450 1043 1HB LEU 131 2HB LEU 131 -18.287 3.808 -3.788 1044 2HB LEU 131 1HB LEU 131 -19.348 2.416 -3.709 1045 HG LEU 131 HG LEU 131 -17.388 1.024 -3.015 1046 1HD1 LEU 131 1HD1 LEU 131 -15.981 3.682 -2.783 1047 2HD1 LEU 131 2HD1 LEU 131 -15.599 2.404 -3.936 1048 3HD1 LEU 131 3HD1 LEU 131 -15.371 2.128 -2.210 1049 1HD2 LEU 131 1HD2 LEU 131 -18.036 3.390 -1.252 1050 2HD2 LEU 131 2HD2 LEU 131 -17.327 1.867 -0.714 1051 3HD2 LEU 131 3HD2 LEU 131 -18.962 1.894 -1.371 1052 H LEU 132 H LEU 132 -18.587 4.419 -6.745 1053 HA LEU 132 HA LEU 132 -20.063 5.026 -8.348 1054 1HB LEU 132 2HB LEU 132 -19.734 2.802 -9.349 1055 2HB LEU 132 1HB LEU 132 -20.970 2.140 -8.294 1056 HG LEU 132 HG LEU 132 -22.630 3.676 -9.383 1057 1HD1 LEU 132 1HD1 LEU 132 -22.036 4.673 -11.545 1058 2HD1 LEU 132 2HD1 LEU 132 -20.356 4.188 -11.302 1059 3HD1 LEU 132 3HD1 LEU 132 -21.103 5.365 -10.218 1060 1HD2 LEU 132 1HD2 LEU 132 -22.844 2.342 -11.429 1061 2HD2 LEU 132 2HD2 LEU 132 -22.477 1.335 -10.029 1062 3HD2 LEU 132 3HD2 LEU 132 -21.209 1.719 -11.194 1063 H ALA 133 H ALA 133 -21.629 2.702 -6.168 1064 HA ALA 133 HA ALA 133 -23.444 2.795 -4.849 1065 1HB ALA 133 1HB ALA 133 -22.415 4.807 -3.886 1066 2HB ALA 133 2HB ALA 133 -24.175 4.927 -3.917 1067 3HB ALA 133 3HB ALA 133 -23.211 5.798 -5.110 1068 H GLU 134 H GLU 134 -24.270 5.712 -6.652 1069 HA GLU 134 HA GLU 134 -26.245 6.290 -7.642 1070 1HB GLU 134 2HB GLU 134 -25.481 3.849 -9.255 1071 2HB GLU 134 1HB GLU 134 -26.596 5.102 -9.780 1072 1HG GLU 134 2HG GLU 134 -23.655 5.441 -9.206 1073 2HG GLU 134 1HG GLU 134 -24.426 5.431 -10.791 1074 H ALA 135 H ALA 135 -26.664 2.817 -8.172 1075 HA ALA 135 HA ALA 135 -29.436 2.860 -7.622 1076 1HB ALA 135 1HB ALA 135 -29.314 0.424 -7.798 1077 2HB ALA 135 2HB ALA 135 -27.553 0.496 -7.700 1078 3HB ALA 135 3HB ALA 135 -28.388 1.195 -9.087 1079 H GLU 136 H GLU 136 -26.623 2.269 -5.646 1080 HA GLU 136 HA GLU 136 -27.822 1.167 -3.369 1081 1HB GLU 136 2HB GLU 136 -25.408 2.972 -3.669 1082 2HB GLU 136 1HB GLU 136 -25.853 2.193 -2.153 1083 1HG GLU 136 2HG GLU 136 -25.210 0.738 -4.717 1084 2HG GLU 136 1HG GLU 136 -24.075 1.006 -3.397 Start of MODEL 16 1 1H SER 1 1HT SER 1 -10.843 -20.066 -9.400 2 2H SER 1 2HT SER 1 -9.341 -19.423 -9.823 3 3H SER 1 3HT SER 1 -10.741 -18.881 -10.598 4 HA SER 1 HA SER 1 -11.558 -17.895 -8.609 5 1HB SER 1 2HB SER 1 -8.977 -18.836 -7.323 6 2HB SER 1 1HB SER 1 -10.299 -17.970 -6.535 7 HG SER 1 HG SER 1 -10.047 -20.500 -6.558 8 H MET 2 H MET 2 -11.354 -16.041 -9.807 9 HA MET 2 HA MET 2 -8.824 -14.578 -9.605 10 1HB MET 2 2HB MET 2 -10.293 -14.916 -12.235 11 2HB MET 2 1HB MET 2 -8.837 -13.973 -11.973 12 1HG MET 2 2HG MET 2 -8.135 -15.938 -13.029 13 2HG MET 2 1HG MET 2 -7.705 -16.147 -11.332 14 1HE MET 2 1HE MET 2 -11.311 -16.456 -12.928 15 2HE MET 2 2HE MET 2 -11.361 -18.176 -13.313 16 3HE MET 2 3HE MET 2 -10.251 -17.111 -14.177 17 H THR 3 H THR 3 -12.035 -14.536 -9.016 18 HA THR 3 HA THR 3 -12.251 -11.640 -9.327 19 HB THR 3 HB THR 3 -13.081 -12.494 -11.478 20 HG1 THR 3 1HG THR 3 -15.075 -11.450 -9.728 21 1HG2 THR 3 1HG2 THR 3 -13.821 -14.715 -10.763 22 2HG2 THR 3 2HG2 THR 3 -15.119 -13.856 -11.593 23 3HG2 THR 3 3HG2 THR 3 -15.132 -13.989 -9.835 24 H GLU 4 H GLU 4 -12.167 -13.610 -7.113 25 HA GLU 4 HA GLU 4 -14.830 -13.537 -5.956 26 1HB GLU 4 2HB GLU 4 -12.188 -14.642 -4.984 27 2HB GLU 4 1HB GLU 4 -13.652 -14.674 -4.010 28 1HG GLU 4 2HG GLU 4 -13.193 -16.808 -5.167 29 2HG GLU 4 1HG GLU 4 -14.750 -16.104 -5.596 30 H GLU 5 H GLU 5 -14.592 -13.096 -3.387 31 HA GLU 5 HA GLU 5 -14.565 -11.550 -1.761 32 1HB GLU 5 2HB GLU 5 -12.022 -10.712 -3.159 33 2HB GLU 5 1HB GLU 5 -12.567 -9.997 -1.648 34 1HG GLU 5 2HG GLU 5 -12.568 -12.307 -0.658 35 2HG GLU 5 1HG GLU 5 -11.793 -12.868 -2.138 36 H GLN 6 H GLN 6 -14.068 -8.907 -1.545 37 HA GLN 6 HA GLN 6 -16.355 -7.876 -2.993 38 1HB GLN 6 2HB GLN 6 -14.685 -6.797 -0.716 39 2HB GLN 6 1HB GLN 6 -15.944 -5.843 -1.487 40 1HG GLN 6 2HG GLN 6 -16.789 -6.846 0.537 41 2HG GLN 6 1HG GLN 6 -17.607 -7.536 -0.861 42 1HE2 GLN 6 1HE2 GLN 6 -15.393 -8.127 1.752 43 2HE2 GLN 6 2HE2 GLN 6 -15.358 -9.849 1.602 44 HA PRO 7 HA PRO 7 -14.168 -5.454 -6.004 45 1HB PRO 7 2HB PRO 7 -16.237 -3.365 -5.688 46 2HB PRO 7 1HB PRO 7 -15.854 -4.357 -7.097 47 1HG PRO 7 2HG PRO 7 -18.102 -4.743 -5.690 48 2HG PRO 7 1HG PRO 7 -17.210 -6.105 -6.402 49 1HD PRO 7 2HD PRO 7 -17.211 -5.117 -3.561 50 2HD PRO 7 1HD PRO 7 -17.304 -6.785 -4.174 51 H VAL 8 H VAL 8 -14.563 -2.525 -6.032 52 HA VAL 8 HA VAL 8 -12.197 -1.694 -4.920 53 HB VAL 8 HB VAL 8 -13.012 0.620 -5.178 54 1HG1 VAL 8 1HG1 VAL 8 -13.493 0.511 -7.589 55 2HG1 VAL 8 2HG1 VAL 8 -13.786 -1.223 -7.448 56 3HG1 VAL 8 3HG1 VAL 8 -12.177 -0.572 -7.134 57 1HG2 VAL 8 1HG2 VAL 8 -15.300 1.043 -5.968 58 2HG2 VAL 8 2HG2 VAL 8 -15.301 0.312 -4.364 59 3HG2 VAL 8 3HG2 VAL 8 -15.684 -0.668 -5.778 60 H ALA 9 H ALA 9 -15.244 -2.070 -3.281 61 HA ALA 9 HA ALA 9 -14.898 -0.292 -1.142 62 1HB ALA 9 1HB ALA 9 -17.029 -1.394 -1.659 63 2HB ALA 9 2HB ALA 9 -16.571 -1.632 0.027 64 3HB ALA 9 3HB ALA 9 -16.357 -2.938 -1.139 65 H SER 10 H SER 10 -13.150 -3.086 -1.905 66 HA SER 10 HA SER 10 -12.490 -3.999 0.699 67 1HB SER 10 2HB SER 10 -11.029 -4.369 -1.927 68 2HB SER 10 1HB SER 10 -10.707 -5.269 -0.443 69 HG SER 10 HG SER 10 -12.708 -5.583 -2.293 70 H TRP 11 H TRP 11 -11.504 -1.238 -1.061 71 HA TRP 11 HA TRP 11 -8.863 -0.918 -0.149 72 1HB TRP 11 2HB TRP 11 -10.919 1.241 -0.701 73 2HB TRP 11 1HB TRP 11 -9.186 1.495 -0.554 74 HD1 TRP 11 HD TRP 11 -8.650 -1.282 -2.455 75 HE1 TRP 11 1HE TRP 11 -8.826 -0.912 -5.008 76 HE3 TRP 11 3HE TRP 11 -11.305 3.071 -2.446 77 HZ2 TRP 11 2HZ TRP 11 -9.962 0.990 -6.765 78 HZ3 TRP 11 3HZ TRP 11 -11.895 4.115 -4.585 79 HH2 TRP 11 HH TRP 11 -11.235 3.095 -6.711 80 H ALA 12 H ALA 12 -11.971 0.037 1.273 81 HA ALA 12 HA ALA 12 -10.826 1.310 3.559 82 1HB ALA 12 1HB ALA 12 -13.041 1.920 2.724 83 2HB ALA 12 2HB ALA 12 -13.114 1.407 4.410 84 3HB ALA 12 3HB ALA 12 -13.644 0.312 3.131 85 H LEU 13 H LEU 13 -10.929 -1.888 2.732 86 HA LEU 13 HA LEU 13 -11.309 -2.884 5.448 87 1HB LEU 13 2HB LEU 13 -10.685 -4.388 2.898 88 2HB LEU 13 1HB LEU 13 -11.080 -5.113 4.446 89 HG LEU 13 HG LEU 13 -12.939 -3.437 2.746 90 1HD1 LEU 13 1HD1 LEU 13 -12.936 -6.391 3.362 91 2HD1 LEU 13 2HD1 LEU 13 -12.563 -5.644 1.809 92 3HD1 LEU 13 3HD1 LEU 13 -14.191 -5.528 2.473 93 1HD2 LEU 13 1HD2 LEU 13 -13.435 -4.816 5.389 94 2HD2 LEU 13 2HD2 LEU 13 -14.668 -4.046 4.389 95 3HD2 LEU 13 3HD2 LEU 13 -13.385 -3.075 5.111 96 H SER 14 H SER 14 -8.780 -2.495 3.007 97 HA SER 14 HA SER 14 -6.751 -2.683 5.084 98 1HB SER 14 2HB SER 14 -6.584 -4.456 2.636 99 2HB SER 14 1HB SER 14 -5.450 -4.400 3.980 100 HG SER 14 HG SER 14 -7.576 -4.926 5.202 101 H PHE 15 H PHE 15 -5.162 -1.267 4.738 102 HA PHE 15 HA PHE 15 -5.173 0.493 2.499 103 1HB PHE 15 2HB PHE 15 -4.393 1.269 4.677 104 2HB PHE 15 1HB PHE 15 -3.112 0.062 4.687 105 HD1 PHE 15 1HD PHE 15 -1.082 1.177 4.604 106 HD2 PHE 15 2HD PHE 15 -4.243 2.469 2.051 107 HE1 PHE 15 1HE PHE 15 0.434 2.800 3.546 108 HE2 PHE 15 2HE PHE 15 -2.728 4.091 0.994 109 HZ PHE 15 HZ PHE 15 -0.386 4.258 1.741 110 H GLU 16 H GLU 16 -3.151 -2.208 3.507 111 HA GLU 16 HA GLU 16 -1.237 -2.341 1.575 112 1HB GLU 16 2HB GLU 16 -1.483 -3.887 3.506 113 2HB GLU 16 1HB GLU 16 -2.819 -4.677 2.688 114 1HG GLU 16 2HG GLU 16 -0.064 -4.547 1.492 115 2HG GLU 16 1HG GLU 16 -0.536 -5.811 2.622 116 H ARG 17 H ARG 17 -4.562 -3.606 1.340 117 HA ARG 17 HA ARG 17 -4.259 -4.639 -1.273 118 1HB ARG 17 2HB ARG 17 -6.031 -5.431 0.204 119 2HB ARG 17 1HB ARG 17 -6.780 -3.839 0.198 120 1HG ARG 17 2HG ARG 17 -7.430 -4.038 -2.069 121 2HG ARG 17 1HG ARG 17 -6.391 -5.440 -2.322 122 1HD ARG 17 2HD ARG 17 -8.773 -5.396 -0.467 123 2HD ARG 17 1HD ARG 17 -8.815 -5.992 -2.127 124 HE ARG 17 HE ARG 17 -6.767 -7.255 -0.585 125 1HH1 ARG 17 1HH1 ARG 17 -10.220 -7.310 -1.207 126 2HH1 ARG 17 2HH1 ARG 17 -10.393 -8.984 -0.790 127 1HH2 ARG 17 1HH2 ARG 17 -7.007 -9.467 -0.071 128 2HH2 ARG 17 2HH2 ARG 17 -8.575 -10.206 -0.174 129 H LEU 18 H LEU 18 -5.568 -1.554 -0.081 130 HA LEU 18 HA LEU 18 -6.251 -0.407 -2.552 131 1HB LEU 18 2HB LEU 18 -6.942 0.683 -0.537 132 2HB LEU 18 1HB LEU 18 -5.293 0.788 0.050 133 HG LEU 18 HG LEU 18 -4.824 2.371 -1.882 134 1HD1 LEU 18 1HD1 LEU 18 -6.732 1.804 -3.283 135 2HD1 LEU 18 2HD1 LEU 18 -6.716 3.522 -2.889 136 3HD1 LEU 18 3HD1 LEU 18 -7.833 2.438 -2.058 137 1HD2 LEU 18 1HD2 LEU 18 -5.049 3.179 0.381 138 2HD2 LEU 18 2HD2 LEU 18 -6.808 3.214 0.228 139 3HD2 LEU 18 3HD2 LEU 18 -5.815 4.306 -0.739 140 H LEU 19 H LEU 19 -3.230 -0.694 -0.858 141 HA LEU 19 HA LEU 19 -1.798 1.120 -2.585 142 1HB LEU 19 2HB LEU 19 -1.486 0.845 -0.075 143 2HB LEU 19 1HB LEU 19 -0.702 -0.683 -0.422 144 HG LEU 19 HG LEU 19 1.050 0.464 -1.656 145 1HD1 LEU 19 1HD1 LEU 19 1.159 2.942 -1.639 146 2HD1 LEU 19 2HD1 LEU 19 -0.470 2.980 -0.957 147 3HD1 LEU 19 3HD1 LEU 19 -0.201 2.321 -2.571 148 1HD2 LEU 19 1HD2 LEU 19 0.573 1.685 1.061 149 2HD2 LEU 19 2HD2 LEU 19 2.117 1.634 0.208 150 3HD2 LEU 19 3HD2 LEU 19 1.354 0.136 0.738 151 H GLN 20 H GLN 20 -2.511 -2.209 -2.459 152 HA GLN 20 HA GLN 20 -0.273 -3.050 -4.113 153 1HB GLN 20 2HB GLN 20 -1.334 -4.509 -2.318 154 2HB GLN 20 1HB GLN 20 -2.747 -4.634 -3.355 155 1HG GLN 20 2HG GLN 20 -1.482 -6.594 -3.708 156 2HG GLN 20 1HG GLN 20 -1.230 -5.583 -5.131 157 1HE2 GLN 20 1HE2 GLN 20 0.283 -5.116 -1.985 158 2HE2 GLN 20 2HE2 GLN 20 1.896 -5.447 -2.511 159 H ASP 21 H ASP 21 -3.768 -2.618 -4.346 160 HA ASP 21 HA ASP 21 -4.042 -3.424 -7.046 161 1HB ASP 21 2HB ASP 21 -5.973 -3.514 -5.631 162 2HB ASP 21 1HB ASP 21 -5.813 -1.819 -5.193 163 HA PRO 22 HA PRO 22 -2.117 0.219 -8.820 164 1HB PRO 22 2HB PRO 22 -3.314 -0.879 -11.317 165 2HB PRO 22 1HB PRO 22 -1.633 -0.458 -10.965 166 1HG PRO 22 2HG PRO 22 -2.403 -3.009 -11.102 167 2HG PRO 22 1HG PRO 22 -1.211 -2.478 -9.899 168 1HD PRO 22 2HD PRO 22 -4.128 -3.078 -9.542 169 2HD PRO 22 1HD PRO 22 -2.757 -3.469 -8.481 170 H LEU 23 H LEU 23 -5.425 -0.801 -9.500 171 HA LEU 23 HA LEU 23 -6.286 1.610 -10.729 172 1HB LEU 23 2HB LEU 23 -7.410 -0.605 -10.944 173 2HB LEU 23 1HB LEU 23 -7.914 -0.492 -9.272 174 HG LEU 23 HG LEU 23 -8.757 1.624 -11.244 175 1HD1 LEU 23 1HD1 LEU 23 -10.788 0.334 -11.710 176 2HD1 LEU 23 2HD1 LEU 23 -10.135 -1.030 -10.801 177 3HD1 LEU 23 3HD1 LEU 23 -9.347 -0.500 -12.288 178 1HD2 LEU 23 1HD2 LEU 23 -10.695 1.793 -9.741 179 2HD2 LEU 23 2HD2 LEU 23 -9.182 2.041 -8.874 180 3HD2 LEU 23 3HD2 LEU 23 -10.029 0.502 -8.739 181 H GLY 24 H GLY 24 -6.713 0.309 -7.450 182 1HA GLY 24 2HA GLY 24 -7.912 2.555 -6.284 183 2HA GLY 24 1HA GLY 24 -6.987 1.331 -5.424 184 H LEU 25 H LEU 25 -4.494 1.588 -6.313 185 HA LEU 25 HA LEU 25 -3.453 3.781 -4.956 186 1HB LEU 25 2HB LEU 25 -2.390 1.520 -5.931 187 2HB LEU 25 1HB LEU 25 -1.863 2.611 -7.194 188 HG LEU 25 HG LEU 25 -1.213 2.877 -4.247 189 1HD1 LEU 25 1HD1 LEU 25 0.526 2.060 -6.571 190 2HD1 LEU 25 2HD1 LEU 25 -0.067 1.003 -5.290 191 3HD1 LEU 25 3HD1 LEU 25 1.063 2.301 -4.907 192 1HD2 LEU 25 1HD2 LEU 25 -0.267 4.530 -6.593 193 2HD2 LEU 25 2HD2 LEU 25 0.345 4.645 -4.942 194 3HD2 LEU 25 3HD2 LEU 25 -1.330 5.070 -5.292 195 H ALA 26 H ALA 26 -4.409 3.443 -8.328 196 HA ALA 26 HA ALA 26 -3.144 5.728 -9.372 197 1HB ALA 26 1HB ALA 26 -4.750 5.594 -11.202 198 2HB ALA 26 2HB ALA 26 -5.751 4.487 -10.260 199 3HB ALA 26 3HB ALA 26 -4.143 3.991 -10.787 200 H TYR 27 H TYR 27 -6.406 5.310 -7.997 201 HA TYR 27 HA TYR 27 -7.056 8.095 -8.185 202 1HB TYR 27 2HB TYR 27 -8.298 5.856 -6.567 203 2HB TYR 27 1HB TYR 27 -8.947 7.491 -6.632 204 HD1 TYR 27 1HD TYR 27 -9.286 4.299 -7.972 205 HD2 TYR 27 2HD TYR 27 -9.247 8.388 -9.167 206 HE1 TYR 27 1HE TYR 27 -10.573 3.722 -9.985 207 HE2 TYR 27 2HE TYR 27 -10.535 7.817 -11.181 208 HH TYR 27 HH TYR 27 -12.071 4.816 -11.590 209 H PHE 28 H PHE 28 -5.725 6.011 -5.691 210 HA PHE 28 HA PHE 28 -5.797 7.760 -3.517 211 1HB PHE 28 2HB PHE 28 -5.252 5.380 -3.298 212 2HB PHE 28 1HB PHE 28 -3.756 5.621 -4.192 213 HD1 PHE 28 1HD PHE 28 -5.521 6.520 -1.057 214 HD2 PHE 28 2HD PHE 28 -1.782 6.261 -3.081 215 HE1 PHE 28 1HE PHE 28 -4.347 6.961 1.058 216 HE2 PHE 28 2HE PHE 28 -0.605 6.702 -0.969 217 HZ PHE 28 HZ PHE 28 -1.888 7.051 1.106 218 H THR 29 H THR 29 -3.292 7.282 -5.985 219 HA THR 29 HA THR 29 -1.570 9.282 -4.907 220 HB THR 29 HB THR 29 -0.731 7.356 -6.285 221 HG1 THR 29 1HG THR 29 -0.106 10.029 -7.033 222 1HG2 THR 29 1HG2 THR 29 -1.837 8.959 -8.602 223 2HG2 THR 29 2HG2 THR 29 -2.433 7.390 -8.060 224 3HG2 THR 29 3HG2 THR 29 -0.807 7.533 -8.729 225 H GLU 30 H GLU 30 -4.265 9.273 -7.086 226 HA GLU 30 HA GLU 30 -3.827 11.626 -8.525 227 1HB GLU 30 2HB GLU 30 -5.689 10.054 -8.956 228 2HB GLU 30 1HB GLU 30 -6.453 10.552 -7.453 229 1HG GLU 30 2HG GLU 30 -7.509 11.606 -9.370 230 2HG GLU 30 1HG GLU 30 -6.747 12.805 -8.326 231 H PHE 31 H PHE 31 -5.573 11.204 -5.430 232 HA PHE 31 HA PHE 31 -5.760 13.996 -4.888 233 1HB PHE 31 2HB PHE 31 -5.960 11.585 -3.064 234 2HB PHE 31 1HB PHE 31 -6.257 13.235 -2.527 235 HD1 PHE 31 1HD PHE 31 -7.623 10.357 -4.215 236 HD2 PHE 31 2HD PHE 31 -8.144 14.532 -3.538 237 HE1 PHE 31 1HE PHE 31 -9.962 10.183 -4.956 238 HE2 PHE 31 2HE PHE 31 -10.483 14.361 -4.278 239 HZ PHE 31 HZ PHE 31 -11.394 12.188 -4.987 240 H LEU 32 H LEU 32 -3.389 11.537 -4.181 241 HA LEU 32 HA LEU 32 -1.846 12.981 -2.295 242 1HB LEU 32 2HB LEU 32 -1.857 10.489 -2.756 243 2HB LEU 32 1HB LEU 32 -0.906 10.820 -4.187 244 HG LEU 32 HG LEU 32 0.918 11.685 -2.784 245 1HD1 LEU 32 1HD1 LEU 32 0.852 11.430 -0.362 246 2HD1 LEU 32 2HD1 LEU 32 -0.816 10.863 -0.451 247 3HD1 LEU 32 3HD1 LEU 32 -0.421 12.521 -0.909 248 1HD2 LEU 32 1HD2 LEU 32 -0.055 8.947 -1.952 249 2HD2 LEU 32 2HD2 LEU 32 1.599 9.546 -1.817 250 3HD2 LEU 32 3HD2 LEU 32 0.872 9.317 -3.407 251 H LYS 33 H LYS 33 -2.054 13.038 -5.751 252 HA LYS 33 HA LYS 33 0.417 14.399 -6.267 253 1HB LYS 33 2HB LYS 33 -2.077 13.877 -7.879 254 2HB LYS 33 1HB LYS 33 -0.804 14.919 -8.496 255 1HG LYS 33 2HG LYS 33 0.687 13.178 -8.761 256 2HG LYS 33 1HG LYS 33 -0.104 12.174 -7.545 257 1HD LYS 33 2HD LYS 33 -0.416 11.373 -9.893 258 2HD LYS 33 1HD LYS 33 -1.921 11.679 -9.031 259 1HE LYS 33 2HE LYS 33 -2.097 12.526 -11.287 260 2HE LYS 33 1HE LYS 33 -2.084 13.877 -10.155 261 1HZ LYS 33 1HZ LYS 33 0.223 12.933 -11.775 262 2HZ LYS 33 2HZ LYS 33 0.268 14.208 -10.666 263 3HZ LYS 33 3HZ LYS 33 -0.690 14.331 -12.052 264 H LYS 34 H LYS 34 -2.742 15.343 -5.250 265 HA LYS 34 HA LYS 34 -2.932 17.951 -6.215 266 1HB LYS 34 2HB LYS 34 -4.790 16.782 -5.126 267 2HB LYS 34 1HB LYS 34 -3.932 16.817 -3.592 268 1HG LYS 34 2HG LYS 34 -3.987 19.358 -3.791 269 2HG LYS 34 1HG LYS 34 -5.142 19.121 -5.102 270 1HD LYS 34 2HD LYS 34 -6.287 19.541 -2.980 271 2HD LYS 34 1HD LYS 34 -6.637 17.915 -3.573 272 1HE LYS 34 2HE LYS 34 -5.079 16.949 -2.014 273 2HE LYS 34 1HE LYS 34 -4.505 18.544 -1.527 274 1HZ LYS 34 1HZ LYS 34 -6.049 17.557 0.076 275 2HZ LYS 34 2HZ LYS 34 -7.267 17.539 -1.100 276 3HZ LYS 34 3HZ LYS 34 -6.637 19.011 -0.558 277 H GLU 35 H GLU 35 -1.714 16.870 -3.041 278 HA GLU 35 HA GLU 35 -0.606 19.503 -2.499 279 1HB GLU 35 2HB GLU 35 0.072 18.493 -0.328 280 2HB GLU 35 1HB GLU 35 -1.652 18.353 -0.649 281 1HG GLU 35 2HG GLU 35 -1.387 16.030 -1.281 282 2HG GLU 35 1HG GLU 35 0.363 16.151 -1.094 283 H PHE 36 H PHE 36 0.347 16.854 -4.194 284 HA PHE 36 HA PHE 36 2.263 16.120 -5.113 285 1HB PHE 36 2HB PHE 36 2.686 18.517 -5.594 286 2HB PHE 36 1HB PHE 36 3.499 18.675 -4.042 287 HD1 PHE 36 1HD PHE 36 3.648 16.804 -7.257 288 HD2 PHE 36 2HD PHE 36 5.799 18.271 -3.881 289 HE1 PHE 36 1HE PHE 36 5.766 16.128 -8.311 290 HE2 PHE 36 2HE PHE 36 7.916 17.597 -4.933 291 HZ PHE 36 HZ PHE 36 7.903 16.524 -7.152 292 H SER 37 H SER 37 2.057 14.470 -3.471 293 HA SER 37 HA SER 37 4.576 14.246 -2.034 294 1HB SER 37 2HB SER 37 3.307 13.333 -0.011 295 2HB SER 37 1HB SER 37 3.225 15.077 -0.259 296 HG SER 37 HG SER 37 1.159 14.540 0.044 297 H ALA 38 H ALA 38 3.310 13.091 -4.424 298 HA ALA 38 HA ALA 38 2.391 10.444 -3.880 299 1HB ALA 38 1HB ALA 38 3.417 11.629 -6.463 300 2HB ALA 38 2HB ALA 38 1.744 11.666 -5.906 301 3HB ALA 38 3HB ALA 38 2.507 10.125 -6.299 302 H GLU 39 H GLU 39 5.362 11.726 -3.513 303 HA GLU 39 HA GLU 39 7.031 9.810 -4.786 304 1HB GLU 39 2HB GLU 39 7.700 11.666 -2.488 305 2HB GLU 39 1HB GLU 39 8.855 10.828 -3.513 306 1HG GLU 39 2HG GLU 39 8.786 13.066 -4.259 307 2HG GLU 39 1HG GLU 39 7.921 12.113 -5.461 308 H ASN 40 H ASN 40 5.389 9.937 -1.716 309 HA ASN 40 HA ASN 40 7.087 8.149 -0.315 310 1HB ASN 40 2HB ASN 40 5.466 8.101 1.415 311 2HB ASN 40 1HB ASN 40 5.401 9.723 0.743 312 1HD2 ASN 40 1HD2 ASN 40 3.546 10.405 -0.288 313 2HD2 ASN 40 2HD2 ASN 40 2.075 9.500 -0.264 314 H VAL 41 H VAL 41 4.088 7.612 -2.163 315 HA VAL 41 HA VAL 41 4.019 4.810 -1.658 316 HB VAL 41 HB VAL 41 2.367 4.655 -3.460 317 1HG1 VAL 41 1HG1 VAL 41 1.934 7.048 -1.668 318 2HG1 VAL 41 2HG1 VAL 41 1.607 5.362 -1.263 319 3HG1 VAL 41 3HG1 VAL 41 0.669 6.163 -2.523 320 1HG2 VAL 41 1HG2 VAL 41 2.977 7.570 -3.991 321 2HG2 VAL 41 2HG2 VAL 41 1.672 6.641 -4.730 322 3HG2 VAL 41 3HG2 VAL 41 3.352 6.217 -5.059 323 H THR 42 H THR 42 5.503 6.830 -4.107 324 HA THR 42 HA THR 42 6.299 4.759 -5.862 325 HB THR 42 HB THR 42 7.756 7.381 -5.403 326 HG1 THR 42 1HG THR 42 5.581 7.841 -5.863 327 1HG2 THR 42 1HG2 THR 42 8.966 5.752 -6.793 328 2HG2 THR 42 2HG2 THR 42 8.421 7.128 -7.752 329 3HG2 THR 42 3HG2 THR 42 7.555 5.594 -7.840 330 H PHE 43 H PHE 43 7.797 6.276 -3.039 331 HA PHE 43 HA PHE 43 10.238 4.910 -3.028 332 1HB PHE 43 2HB PHE 43 9.943 6.777 -1.537 333 2HB PHE 43 1HB PHE 43 8.547 6.023 -0.773 334 HD1 PHE 43 1HD PHE 43 12.210 5.532 -1.288 335 HD2 PHE 43 2HD PHE 43 8.825 4.832 1.202 336 HE1 PHE 43 1HE PHE 43 13.678 4.577 0.440 337 HE2 PHE 43 2HE PHE 43 10.289 3.877 2.930 338 HZ PHE 43 HZ PHE 43 12.719 3.749 2.550 339 H TRP 44 H TRP 44 7.133 4.098 -1.516 340 HA TRP 44 HA TRP 44 7.881 1.723 -0.260 341 1HB TRP 44 2HB TRP 44 5.732 2.924 0.122 342 2HB TRP 44 1HB TRP 44 5.174 2.394 -1.461 343 HD1 TRP 44 HD TRP 44 6.002 0.997 2.032 344 HE1 TRP 44 1HE TRP 44 4.797 -1.259 2.318 345 HE3 TRP 44 3HE TRP 44 4.123 0.480 -2.698 346 HZ2 TRP 44 2HZ TRP 44 3.237 -3.017 0.748 347 HZ3 TRP 44 3HZ TRP 44 2.778 -1.515 -3.221 348 HH2 TRP 44 HH TRP 44 2.346 -3.227 -1.532 349 H LYS 45 H LYS 45 6.305 2.133 -3.437 350 HA LYS 45 HA LYS 45 6.352 -0.564 -4.196 351 1HB LYS 45 2HB LYS 45 6.388 1.924 -5.924 352 2HB LYS 45 1HB LYS 45 6.073 0.299 -6.523 353 1HG LYS 45 2HG LYS 45 4.069 0.153 -5.145 354 2HG LYS 45 1HG LYS 45 4.400 1.751 -4.472 355 1HD LYS 45 2HD LYS 45 2.711 1.940 -6.193 356 2HD LYS 45 1HD LYS 45 4.196 2.714 -6.746 357 1HE LYS 45 2HE LYS 45 3.229 1.428 -8.548 358 2HE LYS 45 1HE LYS 45 4.738 0.677 -8.038 359 1HZ LYS 45 1HZ LYS 45 3.476 -0.955 -6.792 360 2HZ LYS 45 2HZ LYS 45 2.985 -0.953 -8.410 361 3HZ LYS 45 3HZ LYS 45 2.018 -0.218 -7.237 362 H ALA 46 H ALA 46 8.744 1.999 -4.622 363 HA ALA 46 HA ALA 46 10.509 0.630 -6.331 364 1HB ALA 46 1HB ALA 46 11.173 2.736 -4.264 365 2HB ALA 46 2HB ALA 46 10.641 3.050 -5.916 366 3HB ALA 46 3HB ALA 46 12.189 2.256 -5.625 367 H CYS 47 H CYS 47 10.325 0.812 -2.797 368 HA CYS 47 HA CYS 47 12.592 -0.803 -2.285 369 1HB CYS 47 2HB CYS 47 10.159 -0.231 -0.574 370 2HB CYS 47 1HB CYS 47 11.626 -1.017 0.002 371 HG CYS 47 HG CYS 47 11.384 2.200 -1.136 372 H GLU 48 H GLU 48 9.189 -1.508 -2.827 373 HA GLU 48 HA GLU 48 9.280 -4.271 -2.192 374 1HB GLU 48 2HB GLU 48 7.413 -2.683 -3.973 375 2HB GLU 48 1HB GLU 48 7.170 -4.377 -3.572 376 1HG GLU 48 2HG GLU 48 7.323 -2.161 -1.540 377 2HG GLU 48 1HG GLU 48 5.824 -2.804 -2.207 378 H ARG 49 H ARG 49 10.157 -2.428 -5.023 379 HA ARG 49 HA ARG 49 10.483 -4.795 -6.673 380 1HB ARG 49 2HB ARG 49 9.807 -2.662 -7.711 381 2HB ARG 49 1HB ARG 49 11.321 -1.927 -7.193 382 1HG ARG 49 2HG ARG 49 12.583 -3.426 -8.617 383 2HG ARG 49 1HG ARG 49 11.110 -4.281 -9.071 384 1HD ARG 49 2HD ARG 49 10.254 -2.199 -10.095 385 2HD ARG 49 1HD ARG 49 11.776 -1.400 -9.693 386 HE ARG 49 HE ARG 49 12.874 -2.683 -11.322 387 1HH1 ARG 49 1HH1 ARG 49 9.444 -3.375 -11.199 388 2HH1 ARG 49 2HH1 ARG 49 9.431 -4.236 -12.703 389 1HH2 ARG 49 1HH2 ARG 49 12.857 -3.838 -13.305 390 2HH2 ARG 49 2HH2 ARG 49 11.362 -4.498 -13.895 391 H PHE 50 H PHE 50 12.380 -2.780 -4.593 392 HA PHE 50 HA PHE 50 14.973 -3.508 -5.481 393 1HB PHE 50 2HB PHE 50 14.452 -1.534 -4.036 394 2HB PHE 50 1HB PHE 50 14.081 -2.628 -2.711 395 HD1 PHE 50 1HD PHE 50 16.709 -1.031 -4.648 396 HD2 PHE 50 2HD PHE 50 15.890 -3.894 -1.604 397 HE1 PHE 50 1HE PHE 50 19.065 -0.965 -3.953 398 HE2 PHE 50 2HE PHE 50 18.247 -3.831 -0.906 399 HZ PHE 50 HZ PHE 50 19.839 -2.363 -2.079 400 H GLN 51 H GLN 51 12.797 -4.792 -3.009 401 HA GLN 51 HA GLN 51 14.578 -6.705 -1.926 402 1HB GLN 51 2HB GLN 51 12.667 -7.579 -0.765 403 2HB GLN 51 1HB GLN 51 12.498 -5.829 -0.824 404 1HG GLN 51 2HG GLN 51 11.018 -6.160 -2.843 405 2HG GLN 51 1HG GLN 51 11.032 -7.881 -2.462 406 1HE2 GLN 51 1HE2 GLN 51 10.989 -5.256 -0.122 407 2HE2 GLN 51 2HE2 GLN 51 9.401 -5.571 0.479 408 H GLN 52 H GLN 52 12.913 -6.617 -4.877 409 HA GLN 52 HA GLN 52 12.386 -9.338 -5.365 410 1HB GLN 52 2HB GLN 52 11.473 -7.569 -6.777 411 2HB GLN 52 1HB GLN 52 13.090 -7.099 -7.282 412 1HG GLN 52 2HG GLN 52 13.356 -9.304 -8.369 413 2HG GLN 52 1HG GLN 52 11.697 -9.696 -7.919 414 1HE2 GLN 52 1HE2 GLN 52 12.696 -6.490 -8.911 415 2HE2 GLN 52 2HE2 GLN 52 11.861 -6.495 -10.424 416 H ILE 53 H ILE 53 15.297 -7.427 -5.529 417 HA ILE 53 HA ILE 53 16.855 -9.348 -6.989 418 HB ILE 53 HB ILE 53 17.854 -7.067 -5.261 419 1HG1 ILE 53 2HG1 ILE 53 17.246 -6.990 -8.233 420 2HG1 ILE 53 1HG1 ILE 53 16.167 -6.351 -7.000 421 1HG2 ILE 53 1HG2 ILE 53 19.581 -8.671 -5.886 422 2HG2 ILE 53 2HG2 ILE 53 19.821 -7.147 -6.740 423 3HG2 ILE 53 3HG2 ILE 53 19.124 -8.530 -7.584 424 1HD1 ILE 53 1HD1 ILE 53 17.478 -4.589 -8.042 425 2HD1 ILE 53 2HD1 ILE 53 18.969 -5.393 -7.552 426 3HD1 ILE 53 3HD1 ILE 53 17.875 -4.741 -6.331 427 HA PRO 54 HA PRO 54 16.987 -12.056 -3.429 428 1HB PRO 54 2HB PRO 54 18.925 -13.774 -4.435 429 2HB PRO 54 1HB PRO 54 17.194 -13.887 -4.765 430 1HG PRO 54 2HG PRO 54 19.364 -12.665 -6.422 431 2HG PRO 54 1HG PRO 54 17.971 -13.637 -6.935 432 1HD PRO 54 2HD PRO 54 17.992 -10.972 -7.221 433 2HD PRO 54 1HD PRO 54 16.504 -11.838 -6.787 434 H ALA 55 H ALA 55 20.094 -11.153 -4.923 435 HA ALA 55 HA ALA 55 21.334 -9.738 -2.995 436 1HB ALA 55 1HB ALA 55 20.958 -11.519 -1.346 437 2HB ALA 55 2HB ALA 55 22.680 -11.295 -1.646 438 3HB ALA 55 3HB ALA 55 21.830 -12.663 -2.366 439 H SER 56 H SER 56 21.594 -12.403 -5.209 440 HA SER 56 HA SER 56 24.273 -12.742 -5.588 441 1HB SER 56 2HB SER 56 22.318 -12.752 -7.886 442 2HB SER 56 1HB SER 56 23.709 -13.806 -7.623 443 HG SER 56 HG SER 56 22.227 -15.085 -6.829 444 H ASP 57 H ASP 57 22.279 -10.137 -6.848 445 HA ASP 57 HA ASP 57 24.591 -9.051 -8.310 446 1HB ASP 57 2HB ASP 57 21.634 -8.442 -8.487 447 2HB ASP 57 1HB ASP 57 22.859 -7.448 -9.265 448 H THR 58 H THR 58 25.669 -8.339 -6.398 449 HA THR 58 HA THR 58 24.579 -6.561 -4.511 450 HB THR 58 HB THR 58 27.481 -6.740 -5.380 451 HG1 THR 58 1HG THR 58 27.655 -8.380 -3.834 452 1HG2 THR 58 1HG2 THR 58 26.997 -4.821 -3.927 453 2HG2 THR 58 2HG2 THR 58 27.959 -6.029 -3.075 454 3HG2 THR 58 3HG2 THR 58 26.230 -5.893 -2.754 455 H GLN 59 H GLN 59 26.342 -6.010 -7.537 456 HA GLN 59 HA GLN 59 26.514 -3.197 -7.283 457 1HB GLN 59 2HB GLN 59 26.745 -5.026 -9.679 458 2HB GLN 59 1HB GLN 59 26.957 -3.284 -9.791 459 1HG GLN 59 2HG GLN 59 29.107 -4.348 -9.650 460 2HG GLN 59 1HG GLN 59 28.813 -3.423 -8.180 461 1HE2 GLN 59 1HE2 GLN 59 30.287 -4.610 -6.981 462 2HE2 GLN 59 2HE2 GLN 59 29.994 -6.244 -6.498 463 H GLN 60 H GLN 60 24.168 -5.330 -8.870 464 HA GLN 60 HA GLN 60 22.611 -3.284 -10.040 465 1HB GLN 60 2HB GLN 60 22.450 -5.694 -10.648 466 2HB GLN 60 1HB GLN 60 21.675 -6.006 -9.101 467 1HG GLN 60 2HG GLN 60 19.810 -4.556 -9.734 468 2HG GLN 60 1HG GLN 60 20.592 -4.219 -11.279 469 1HE2 GLN 60 1HE2 GLN 60 18.914 -6.582 -9.372 470 2HE2 GLN 60 2HE2 GLN 60 18.588 -7.693 -10.653 471 H LEU 61 H LEU 61 22.398 -4.944 -6.903 472 HA LEU 61 HA LEU 61 20.208 -3.647 -5.800 473 1HB LEU 61 2HB LEU 61 22.794 -4.605 -4.578 474 2HB LEU 61 1HB LEU 61 21.551 -3.856 -3.596 475 HG LEU 61 HG LEU 61 21.070 -6.332 -5.263 476 1HD1 LEU 61 1HD1 LEU 61 21.257 -7.593 -3.163 477 2HD1 LEU 61 2HD1 LEU 61 21.766 -6.124 -2.329 478 3HD1 LEU 61 3HD1 LEU 61 22.781 -6.817 -3.594 479 1HD2 LEU 61 1HD2 LEU 61 19.104 -6.577 -3.819 480 2HD2 LEU 61 2HD2 LEU 61 19.063 -5.052 -4.704 481 3HD2 LEU 61 3HD2 LEU 61 19.514 -5.070 -2.998 482 H ALA 62 H ALA 62 23.573 -2.582 -6.024 483 HA ALA 62 HA ALA 62 23.312 -0.198 -4.554 484 1HB ALA 62 1HB ALA 62 25.475 -1.236 -5.061 485 2HB ALA 62 2HB ALA 62 25.432 0.455 -5.563 486 3HB ALA 62 3HB ALA 62 25.271 -0.826 -6.765 487 H GLN 63 H GLN 63 22.577 -0.968 -7.890 488 HA GLN 63 HA GLN 63 22.502 1.696 -8.883 489 1HB GLN 63 2HB GLN 63 20.920 -0.660 -9.939 490 2HB GLN 63 1HB GLN 63 21.395 0.787 -10.822 491 1HG GLN 63 2HG GLN 63 23.205 -1.390 -9.803 492 2HG GLN 63 1HG GLN 63 22.785 -1.055 -11.480 493 1HE2 GLN 63 1HE2 GLN 63 25.371 -1.135 -10.044 494 2HE2 GLN 63 2HE2 GLN 63 26.126 0.381 -10.383 495 H GLU 64 H GLU 64 19.879 -0.540 -7.961 496 HA GLU 64 HA GLU 64 17.838 1.408 -8.038 497 1HB GLU 64 2HB GLU 64 18.086 -1.324 -6.815 498 2HB GLU 64 1HB GLU 64 16.701 -0.319 -6.407 499 1HG GLU 64 2HG GLU 64 16.221 -1.880 -8.235 500 2HG GLU 64 1HG GLU 64 16.039 -0.196 -8.718 501 H ALA 65 H ALA 65 20.103 0.435 -5.554 502 HA ALA 65 HA ALA 65 18.907 1.712 -3.355 503 1HB ALA 65 1HB ALA 65 21.853 1.262 -3.845 504 2HB ALA 65 2HB ALA 65 20.742 0.093 -3.133 505 3HB ALA 65 3HB ALA 65 21.092 1.601 -2.290 506 H ARG 66 H ARG 66 21.408 2.893 -5.618 507 HA ARG 66 HA ARG 66 21.588 5.459 -4.411 508 1HB ARG 66 2HB ARG 66 22.875 6.110 -6.416 509 2HB ARG 66 1HB ARG 66 23.439 4.594 -5.730 510 1HG ARG 66 2HG ARG 66 22.197 3.365 -7.464 511 2HG ARG 66 1HG ARG 66 21.683 4.899 -8.163 512 1HD ARG 66 2HD ARG 66 23.589 3.931 -9.369 513 2HD ARG 66 1HD ARG 66 23.994 5.485 -8.643 514 HE ARG 66 HE ARG 66 24.919 3.920 -6.761 515 1HH1 ARG 66 1HH1 ARG 66 25.133 3.397 -10.227 516 2HH1 ARG 66 2HH1 ARG 66 26.635 2.537 -10.128 517 1HH2 ARG 66 1HH2 ARG 66 26.893 2.799 -6.634 518 2HH2 ARG 66 2HH2 ARG 66 27.631 2.176 -8.081 519 H ASN 67 H ASN 67 19.592 4.135 -6.978 520 HA ASN 67 HA ASN 67 18.538 6.568 -7.945 521 1HB ASN 67 2HB ASN 67 18.186 4.568 -9.233 522 2HB ASN 67 1HB ASN 67 17.385 3.769 -7.885 523 1HD2 ASN 67 1HD2 ASN 67 17.071 6.283 -10.315 524 2HD2 ASN 67 2HD2 ASN 67 15.345 6.384 -10.250 525 H ILE 68 H ILE 68 17.116 4.242 -5.644 526 HA ILE 68 HA ILE 68 14.957 5.826 -4.831 527 HB ILE 68 HB ILE 68 16.447 3.712 -3.246 528 1HG1 ILE 68 2HG1 ILE 68 13.934 3.486 -4.936 529 2HG1 ILE 68 1HG1 ILE 68 15.528 2.911 -5.409 530 1HG2 ILE 68 1HG2 ILE 68 13.695 4.879 -2.790 531 2HG2 ILE 68 2HG2 ILE 68 15.113 5.105 -1.765 532 3HG2 ILE 68 3HG2 ILE 68 14.382 3.509 -1.917 533 1HD1 ILE 68 1HD1 ILE 68 15.508 1.332 -3.541 534 2HD1 ILE 68 2HD1 ILE 68 14.144 1.086 -4.632 535 3HD1 ILE 68 3HD1 ILE 68 13.901 1.900 -3.087 536 H TYR 69 H TYR 69 18.269 5.622 -3.662 537 HA TYR 69 HA TYR 69 18.000 7.155 -1.333 538 1HB TYR 69 2HB TYR 69 19.989 5.770 -1.825 539 2HB TYR 69 1HB TYR 69 20.425 6.867 -3.128 540 HD1 TYR 69 1HD TYR 69 20.113 6.557 0.546 541 HD2 TYR 69 2HD TYR 69 21.557 8.930 -2.682 542 HE1 TYR 69 1HE TYR 69 21.397 7.928 2.132 543 HE2 TYR 69 2HE TYR 69 22.841 10.303 -1.111 544 HH TYR 69 HH TYR 69 23.308 9.398 2.179 545 H GLN 70 H GLN 70 19.290 8.164 -4.502 546 HA GLN 70 HA GLN 70 19.546 10.881 -3.701 547 1HB GLN 70 2HB GLN 70 19.693 9.566 -6.419 548 2HB GLN 70 1HB GLN 70 20.079 11.258 -6.123 549 1HG GLN 70 2HG GLN 70 21.923 10.670 -4.718 550 2HG GLN 70 1HG GLN 70 21.476 8.966 -4.747 551 1HE2 GLN 70 1HE2 GLN 70 23.978 10.230 -5.504 552 2HE2 GLN 70 2HE2 GLN 70 24.265 9.799 -7.151 553 H GLU 71 H GLU 71 16.809 9.156 -4.528 554 HA GLU 71 HA GLU 71 15.503 11.514 -5.699 555 1HB GLU 71 2HB GLU 71 15.464 9.358 -6.978 556 2HB GLU 71 1HB GLU 71 14.501 8.660 -5.683 557 1HG GLU 71 2HG GLU 71 12.638 9.939 -6.201 558 2HG GLU 71 1HG GLU 71 13.582 11.155 -7.060 559 H PHE 72 H PHE 72 15.182 9.122 -3.094 560 HA PHE 72 HA PHE 72 12.947 10.728 -2.006 561 1HB PHE 72 2HB PHE 72 13.371 7.752 -1.642 562 2HB PHE 72 1HB PHE 72 11.986 8.695 -1.100 563 HD1 PHE 72 1HD PHE 72 10.619 9.895 -2.953 564 HD2 PHE 72 2HD PHE 72 13.294 6.663 -3.684 565 HE1 PHE 72 1HE PHE 72 9.461 9.416 -5.068 566 HE2 PHE 72 2HE PHE 72 12.139 6.183 -5.801 567 HZ PHE 72 HZ PHE 72 10.222 7.560 -6.493 568 H LEU 73 H LEU 73 16.121 9.672 -1.375 569 HA LEU 73 HA LEU 73 15.665 9.851 1.539 570 1HB LEU 73 2HB LEU 73 17.552 7.938 0.170 571 2HB LEU 73 1HB LEU 73 17.228 8.034 1.889 572 HG LEU 73 HG LEU 73 15.152 7.282 -0.179 573 1HD1 LEU 73 1HD1 LEU 73 15.429 4.980 0.599 574 2HD1 LEU 73 2HD1 LEU 73 16.757 5.485 1.644 575 3HD1 LEU 73 3HD1 LEU 73 16.921 5.598 -0.109 576 1HD2 LEU 73 1HD2 LEU 73 14.228 8.252 1.857 577 2HD2 LEU 73 2HD2 LEU 73 15.132 7.094 2.834 578 3HD2 LEU 73 3HD2 LEU 73 13.858 6.532 1.752 579 H SER 74 H SER 74 17.351 11.201 -1.014 580 HA SER 74 HA SER 74 19.896 11.569 0.242 581 1HB SER 74 2HB SER 74 19.611 11.630 -2.215 582 2HB SER 74 1HB SER 74 18.665 13.106 -2.064 583 HG SER 74 HG SER 74 21.294 12.865 -2.238 584 H SER 75 H SER 75 20.603 14.134 0.140 585 HA SER 75 HA SER 75 19.657 15.219 2.522 586 1HB SER 75 2HB SER 75 21.016 16.693 0.245 587 2HB SER 75 1HB SER 75 20.964 17.198 1.936 588 HG SER 75 HG SER 75 22.811 15.755 0.863 589 H GLN 76 H GLN 76 19.179 16.702 -0.704 590 HA GLN 76 HA GLN 76 16.618 17.792 0.218 591 1HB GLN 76 2HB GLN 76 18.348 18.396 -2.187 592 2HB GLN 76 1HB GLN 76 16.692 18.972 -2.067 593 1HG GLN 76 2HG GLN 76 18.145 20.730 -1.388 594 2HG GLN 76 1HG GLN 76 17.298 20.137 0.037 595 1HE2 GLN 76 1HE2 GLN 76 18.841 20.943 1.430 596 2HE2 GLN 76 2HE2 GLN 76 20.418 20.250 1.581 597 H ALA 77 H ALA 77 17.855 16.273 -2.764 598 HA ALA 77 HA ALA 77 16.959 14.784 -4.226 599 1HB ALA 77 1HB ALA 77 15.280 13.921 -1.862 600 2HB ALA 77 2HB ALA 77 16.899 13.330 -2.235 601 3HB ALA 77 3HB ALA 77 15.564 12.993 -3.335 602 H LEU 78 H LEU 78 14.409 13.822 -4.673 603 HA LEU 78 HA LEU 78 12.974 16.161 -5.547 604 1HB LEU 78 2HB LEU 78 12.329 13.207 -5.652 605 2HB LEU 78 1HB LEU 78 11.227 14.440 -6.237 606 HG LEU 78 HG LEU 78 12.986 15.177 -7.858 607 1HD1 LEU 78 1HD1 LEU 78 14.965 14.363 -6.717 608 2HD1 LEU 78 2HD1 LEU 78 14.857 13.672 -8.336 609 3HD1 LEU 78 3HD1 LEU 78 14.428 12.695 -6.931 610 1HD2 LEU 78 1HD2 LEU 78 12.667 13.319 -9.406 611 2HD2 LEU 78 2HD2 LEU 78 11.174 13.694 -8.547 612 3HD2 LEU 78 3HD2 LEU 78 12.134 12.289 -8.078 613 H SER 79 H SER 79 12.691 13.747 -3.028 614 HA SER 79 HA SER 79 11.375 15.509 -1.254 615 1HB SER 79 2HB SER 79 9.431 14.931 -2.715 616 2HB SER 79 1HB SER 79 9.667 13.230 -2.316 617 HG SER 79 HG SER 79 8.422 13.641 -0.683 618 HA PRO 80 HA PRO 80 13.655 12.348 0.994 619 1HB PRO 80 2HB PRO 80 13.844 13.629 3.347 620 2HB PRO 80 1HB PRO 80 14.736 14.183 1.925 621 1HG PRO 80 2HG PRO 80 12.155 15.219 3.057 622 2HG PRO 80 1HG PRO 80 13.570 16.130 2.493 623 1HD PRO 80 2HD PRO 80 11.335 15.732 0.969 624 2HD PRO 80 1HD PRO 80 12.956 15.949 0.281 625 H VAL 81 H VAL 81 10.833 11.952 0.666 626 HA VAL 81 HA VAL 81 8.825 11.518 1.722 627 HB VAL 81 HB VAL 81 9.008 9.259 2.907 628 1HG1 VAL 81 1HG1 VAL 81 10.182 9.498 0.137 629 2HG1 VAL 81 2HG1 VAL 81 8.462 9.508 0.532 630 3HG1 VAL 81 3HG1 VAL 81 9.427 8.062 0.835 631 1HG2 VAL 81 1HG2 VAL 81 11.124 8.036 2.603 632 2HG2 VAL 81 2HG2 VAL 81 11.308 9.406 3.702 633 3HG2 VAL 81 3HG2 VAL 81 11.893 9.522 2.042 634 H ASN 82 H ASN 82 9.568 9.868 4.492 635 HA ASN 82 HA ASN 82 10.090 11.969 6.322 636 1HB ASN 82 2HB ASN 82 7.703 12.487 5.682 637 2HB ASN 82 1HB ASN 82 7.242 10.923 6.344 638 1HD2 ASN 82 1HD2 ASN 82 7.324 10.607 8.582 639 2HD2 ASN 82 2HD2 ASN 82 7.394 11.939 9.683 640 H ILE 83 H ILE 83 11.607 10.442 6.964 641 HA ILE 83 HA ILE 83 10.594 8.193 8.556 642 HB ILE 83 HB ILE 83 12.405 6.731 7.623 643 1HG1 ILE 83 2HG1 ILE 83 12.611 8.928 5.538 644 2HG1 ILE 83 1HG1 ILE 83 13.855 8.487 6.705 645 1HG2 ILE 83 1HG2 ILE 83 10.350 7.668 5.614 646 2HG2 ILE 83 2HG2 ILE 83 10.092 6.473 6.886 647 3HG2 ILE 83 3HG2 ILE 83 11.216 6.131 5.571 648 1HD1 ILE 83 1HD1 ILE 83 14.352 7.603 4.507 649 2HD1 ILE 83 2HD1 ILE 83 12.814 6.741 4.485 650 3HD1 ILE 83 3HD1 ILE 83 14.060 6.296 5.652 651 H ASP 84 H ASP 84 13.258 7.139 8.986 652 HA ASP 84 HA ASP 84 13.999 8.277 11.330 653 1HB ASP 84 2HB ASP 84 16.038 7.162 9.391 654 2HB ASP 84 1HB ASP 84 16.122 7.166 11.147 655 H ARG 85 H ARG 85 15.732 8.902 8.283 656 HA ARG 85 HA ARG 85 17.109 10.558 7.586 657 1HB ARG 85 2HB ARG 85 15.391 12.266 9.411 658 2HB ARG 85 1HB ARG 85 16.525 12.895 8.224 659 1HG ARG 85 2HG ARG 85 14.107 11.201 7.593 660 2HG ARG 85 1HG ARG 85 14.194 12.957 7.444 661 1HD ARG 85 2HD ARG 85 15.947 11.004 5.945 662 2HD ARG 85 1HD ARG 85 14.507 11.780 5.286 663 HE ARG 85 HE ARG 85 16.269 13.756 6.258 664 1HH1 ARG 85 1HH1 ARG 85 16.026 11.435 3.641 665 2HH1 ARG 85 2HH1 ARG 85 16.957 12.394 2.540 666 1HH2 ARG 85 1HH2 ARG 85 17.465 15.028 4.777 667 2HH2 ARG 85 2HH2 ARG 85 17.746 14.430 3.171 668 H GLN 86 H GLN 86 16.588 11.814 10.854 669 HA GLN 86 HA GLN 86 19.234 12.393 11.453 670 1HB GLN 86 2HB GLN 86 17.356 13.282 12.724 671 2HB GLN 86 1HB GLN 86 16.932 11.671 13.284 672 1HG GLN 86 2HG GLN 86 19.121 11.580 14.476 673 2HG GLN 86 1HG GLN 86 19.384 13.262 14.013 674 1HE2 GLN 86 1HE2 GLN 86 19.414 13.957 16.149 675 2HE2 GLN 86 2HE2 GLN 86 17.987 14.036 17.119 676 H ALA 87 H ALA 87 17.357 9.470 12.141 677 HA ALA 87 HA ALA 87 19.801 8.116 13.097 678 1HB ALA 87 1HB ALA 87 18.304 6.568 14.249 679 2HB ALA 87 2HB ALA 87 16.904 7.403 13.574 680 3HB ALA 87 3HB ALA 87 17.961 8.235 14.717 681 H TRP 88 H TRP 88 19.132 8.480 10.269 682 HA TRP 88 HA TRP 88 17.965 6.046 9.303 683 1HB TRP 88 2HB TRP 88 17.947 8.336 8.133 684 2HB TRP 88 1HB TRP 88 19.597 7.968 7.640 685 HD1 TRP 88 HD TRP 88 16.080 6.339 7.360 686 HE1 TRP 88 1HE TRP 88 15.950 5.105 5.107 687 HE3 TRP 88 3HE TRP 88 20.839 7.177 5.683 688 HZ2 TRP 88 2HZ TRP 88 17.625 4.554 2.924 689 HZ3 TRP 88 3HZ TRP 88 21.491 6.254 3.494 690 HH2 TRP 88 HH TRP 88 19.913 4.968 2.146 691 H LEU 89 H LEU 89 19.157 4.655 7.696 692 HA LEU 89 HA LEU 89 21.149 3.238 8.999 693 1HB LEU 89 2HB LEU 89 20.568 3.273 6.030 694 2HB LEU 89 1HB LEU 89 21.447 2.017 6.885 695 HG LEU 89 HG LEU 89 18.523 2.703 7.281 696 1HD1 LEU 89 1HD1 LEU 89 18.096 0.527 6.245 697 2HD1 LEU 89 2HD1 LEU 89 19.825 0.322 5.953 698 3HD1 LEU 89 3HD1 LEU 89 18.938 1.614 5.143 699 1HD2 LEU 89 1HD2 LEU 89 18.460 0.679 8.679 700 2HD2 LEU 89 2HD2 LEU 89 19.520 1.914 9.355 701 3HD2 LEU 89 3HD2 LEU 89 20.210 0.522 8.521 702 H GLY 90 H GLY 90 21.622 5.071 5.978 703 1HA GLY 90 2HA GLY 90 23.407 6.854 6.193 704 2HA GLY 90 1HA GLY 90 24.421 5.550 6.797 705 H GLU 91 H GLU 91 25.497 6.769 4.802 706 HA GLU 91 HA GLU 91 24.651 5.911 2.213 707 1HB GLU 91 2HB GLU 91 26.785 6.899 1.409 708 2HB GLU 91 1HB GLU 91 25.823 8.005 2.373 709 1HG GLU 91 2HG GLU 91 28.086 6.427 3.564 710 2HG GLU 91 1HG GLU 91 28.351 7.964 2.745 711 H GLU 92 H GLU 92 25.871 4.081 4.575 712 HA GLU 92 HA GLU 92 27.952 2.606 3.394 713 1HB GLU 92 2HB GLU 92 27.328 0.824 5.006 714 2HB GLU 92 1HB GLU 92 27.458 2.400 5.773 715 1HG GLU 92 2HG GLU 92 25.081 2.625 5.898 716 2HG GLU 92 1HG GLU 92 24.840 1.196 4.894 717 H VAL 93 H VAL 93 24.519 2.623 2.997 718 HA VAL 93 HA VAL 93 24.193 0.063 1.863 719 HB VAL 93 HB VAL 93 22.463 2.521 1.491 720 1HG1 VAL 93 1HG1 VAL 93 21.835 -0.403 1.041 721 2HG1 VAL 93 2HG1 VAL 93 21.981 0.842 -0.200 722 3HG1 VAL 93 3HG1 VAL 93 20.664 0.914 0.970 723 1HG2 VAL 93 1HG2 VAL 93 22.250 0.286 3.519 724 2HG2 VAL 93 2HG2 VAL 93 21.096 1.604 3.314 725 3HG2 VAL 93 3HG2 VAL 93 22.741 1.947 3.854 726 H LEU 94 H LEU 94 25.165 3.145 0.550 727 HA LEU 94 HA LEU 94 24.704 2.399 -2.198 728 1HB LEU 94 2HB LEU 94 26.219 4.732 -1.005 729 2HB LEU 94 1HB LEU 94 25.925 4.512 -2.720 730 HG LEU 94 HG LEU 94 24.321 6.085 -2.006 731 1HD1 LEU 94 1HD1 LEU 94 22.187 4.985 -2.361 732 2HD1 LEU 94 2HD1 LEU 94 22.922 3.412 -2.042 733 3HD1 LEU 94 3HD1 LEU 94 23.409 4.345 -3.458 734 1HD2 LEU 94 1HD2 LEU 94 22.827 5.764 -0.094 735 2HD2 LEU 94 2HD2 LEU 94 24.518 5.775 0.398 736 3HD2 LEU 94 3HD2 LEU 94 23.642 4.247 0.294 737 H ALA 95 H ALA 95 27.336 2.344 0.078 738 HA ALA 95 HA ALA 95 29.398 1.745 -1.801 739 1HB ALA 95 1HB ALA 95 29.287 1.193 1.172 740 2HB ALA 95 2HB ALA 95 29.894 2.669 0.419 741 3HB ALA 95 3HB ALA 95 30.731 1.138 0.160 742 H GLU 96 H GLU 96 27.643 -0.256 0.570 743 HA GLU 96 HA GLU 96 27.749 -2.529 -1.268 744 1HB GLU 96 2HB GLU 96 28.716 -2.625 1.604 745 2HB GLU 96 1HB GLU 96 28.425 -4.045 0.609 746 1HG GLU 96 2HG GLU 96 30.158 -3.332 -0.949 747 2HG GLU 96 1HG GLU 96 30.430 -1.873 0.001 748 HA PRO 97 HA PRO 97 23.547 -2.112 0.464 749 1HB PRO 97 2HB PRO 97 22.255 -3.093 -1.692 750 2HB PRO 97 1HB PRO 97 22.896 -1.445 -1.658 751 1HG PRO 97 2HG PRO 97 24.095 -3.912 -2.880 752 2HG PRO 97 1HG PRO 97 23.948 -2.286 -3.571 753 1HD PRO 97 2HD PRO 97 26.242 -3.199 -2.439 754 2HD PRO 97 1HD PRO 97 25.769 -1.487 -2.400 755 H ARG 98 H ARG 98 21.624 -3.978 -0.115 756 HA ARG 98 HA ARG 98 22.542 -6.652 0.348 757 1HB ARG 98 2HB ARG 98 21.872 -6.861 2.672 758 2HB ARG 98 1HB ARG 98 23.054 -5.565 2.538 759 1HG ARG 98 2HG ARG 98 21.046 -3.967 2.448 760 2HG ARG 98 1HG ARG 98 20.087 -5.350 2.982 761 1HD ARG 98 2HD ARG 98 20.774 -3.958 4.874 762 2HD ARG 98 1HD ARG 98 21.478 -5.571 4.972 763 HE ARG 98 HE ARG 98 23.476 -4.326 3.826 764 1HH1 ARG 98 1HH1 ARG 98 21.435 -3.170 6.429 765 2HH1 ARG 98 2HH1 ARG 98 22.680 -2.181 7.125 766 1HH2 ARG 98 1HH2 ARG 98 25.095 -3.022 4.721 767 2HH2 ARG 98 2HH2 ARG 98 24.755 -2.060 6.127 768 HA PRO 99 HA PRO 99 18.366 -7.481 -0.890 769 1HB PRO 99 2HB PRO 99 17.934 -9.922 0.209 770 2HB PRO 99 1HB PRO 99 19.029 -9.676 -1.158 771 1HG PRO 99 2HG PRO 99 19.680 -9.929 1.762 772 2HG PRO 99 1HG PRO 99 20.464 -10.709 0.372 773 1HD PRO 99 2HD PRO 99 21.501 -8.512 1.561 774 2HD PRO 99 1HD PRO 99 21.657 -8.801 -0.185 775 H ASP 100 H ASP 100 19.229 -7.373 2.457 776 HA ASP 100 HA ASP 100 16.780 -7.775 3.717 777 1HB ASP 100 2HB ASP 100 18.999 -5.860 4.495 778 2HB ASP 100 1HB ASP 100 17.679 -6.355 5.551 779 H MET 101 H MET 101 18.081 -4.936 2.107 780 HA MET 101 HA MET 101 17.073 -3.157 1.160 781 1HB MET 101 2HB MET 101 15.604 -4.387 -0.066 782 2HB MET 101 1HB MET 101 14.948 -5.213 1.331 783 1HG MET 101 2HG MET 101 14.259 -2.352 0.788 784 2HG MET 101 1HG MET 101 13.426 -3.668 -0.041 785 1HE MET 101 1HE MET 101 11.475 -1.925 1.398 786 2HE MET 101 2HE MET 101 10.593 -3.052 2.427 787 3HE MET 101 3HE MET 101 11.047 -3.524 0.790 788 H PHE 102 H PHE 102 15.616 -1.299 1.545 789 HA PHE 102 HA PHE 102 15.783 -0.358 4.218 790 1HB PHE 102 2HB PHE 102 14.101 0.821 1.988 791 2HB PHE 102 1HB PHE 102 14.730 1.658 3.402 792 HD1 PHE 102 1HD PHE 102 15.309 0.789 -0.002 793 HD2 PHE 102 2HD PHE 102 17.284 1.848 3.624 794 HE1 PHE 102 1HE PHE 102 17.306 1.436 -1.281 795 HE2 PHE 102 2HE PHE 102 19.282 2.497 2.344 796 HZ PHE 102 HZ PHE 102 19.294 2.292 -0.110 797 H ARG 103 H ARG 103 14.522 -2.417 4.941 798 HA ARG 103 HA ARG 103 11.742 -2.605 4.420 799 1HB ARG 103 2HB ARG 103 11.804 -4.376 6.193 800 2HB ARG 103 1HB ARG 103 12.967 -4.599 4.894 801 1HG ARG 103 2HG ARG 103 14.682 -3.513 6.419 802 2HG ARG 103 1HG ARG 103 13.492 -3.681 7.711 803 1HD ARG 103 2HD ARG 103 14.690 -5.909 6.060 804 2HD ARG 103 1HD ARG 103 15.033 -5.554 7.753 805 HE ARG 103 HE ARG 103 12.547 -6.032 8.078 806 1HH1 ARG 103 1HH1 ARG 103 14.511 -7.599 5.637 807 2HH1 ARG 103 2HH1 ARG 103 13.547 -9.037 5.603 808 1HH2 ARG 103 1HH2 ARG 103 11.274 -7.908 8.029 809 2HH2 ARG 103 2HH2 ARG 103 11.692 -9.210 6.962 810 H ALA 104 H ALA 104 13.596 -1.343 7.164 811 HA ALA 104 HA ALA 104 11.368 -0.934 8.873 812 1HB ALA 104 1HB ALA 104 13.665 -1.060 9.719 813 2HB ALA 104 2HB ALA 104 12.890 0.449 10.205 814 3HB ALA 104 3HB ALA 104 14.060 0.444 8.885 815 H GLN 105 H GLN 105 12.923 0.986 6.408 816 HA GLN 105 HA GLN 105 11.518 3.417 7.054 817 1HB GLN 105 2HB GLN 105 13.263 2.653 4.698 818 2HB GLN 105 1HB GLN 105 12.582 4.257 4.944 819 1HG GLN 105 2HG GLN 105 14.858 4.262 5.685 820 2HG GLN 105 1HG GLN 105 13.804 4.413 7.088 821 1HE2 GLN 105 1HE2 GLN 105 15.294 3.652 8.542 822 2HE2 GLN 105 2HE2 GLN 105 15.833 2.008 8.576 823 H GLN 106 H GLN 106 11.292 0.865 4.635 824 HA GLN 106 HA GLN 106 9.282 1.947 3.023 825 1HB GLN 106 2HB GLN 106 10.515 0.012 2.298 826 2HB GLN 106 1HB GLN 106 9.989 -0.920 3.689 827 1HG GLN 106 2HG GLN 106 7.838 0.094 1.934 828 2HG GLN 106 1HG GLN 106 8.901 -1.120 1.228 829 1HE2 GLN 106 1HE2 GLN 106 7.221 -2.627 1.141 830 2HE2 GLN 106 2HE2 GLN 106 6.637 -3.431 2.555 831 H LEU 107 H LEU 107 9.029 -0.204 5.845 832 HA LEU 107 HA LEU 107 6.182 -0.215 5.810 833 1HB LEU 107 2HB LEU 107 7.774 -1.958 6.840 834 2HB LEU 107 1HB LEU 107 7.873 -0.872 8.215 835 HG LEU 107 HG LEU 107 5.355 -1.016 8.389 836 1HD1 LEU 107 1HD1 LEU 107 5.719 -3.282 6.433 837 2HD1 LEU 107 2HD1 LEU 107 4.877 -1.762 6.125 838 3HD1 LEU 107 3HD1 LEU 107 4.238 -2.898 7.312 839 1HD2 LEU 107 1HD2 LEU 107 5.370 -3.197 9.502 840 2HD2 LEU 107 2HD2 LEU 107 6.822 -2.275 9.888 841 3HD2 LEU 107 3HD2 LEU 107 6.901 -3.593 8.718 842 H GLN 108 H GLN 108 8.584 1.885 7.171 843 HA GLN 108 HA GLN 108 7.010 3.192 9.109 844 1HB GLN 108 2HB GLN 108 9.451 3.519 8.929 845 2HB GLN 108 1HB GLN 108 9.229 4.339 7.392 846 1HG GLN 108 2HG GLN 108 9.499 6.092 8.875 847 2HG GLN 108 1HG GLN 108 7.751 5.986 8.715 848 1HE2 GLN 108 1HE2 GLN 108 7.688 3.555 10.477 849 2HE2 GLN 108 2HE2 GLN 108 7.909 4.157 12.076 850 H ILE 109 H ILE 109 7.623 3.964 5.687 851 HA ILE 109 HA ILE 109 5.855 6.147 5.515 852 HB ILE 109 HB ILE 109 6.883 4.255 3.396 853 1HG1 ILE 109 2HG1 ILE 109 8.603 5.679 4.343 854 2HG1 ILE 109 1HG1 ILE 109 8.228 6.249 2.724 855 1HG2 ILE 109 1HG2 ILE 109 6.050 5.839 1.706 856 2HG2 ILE 109 2HG2 ILE 109 5.236 6.753 2.978 857 3HG2 ILE 109 3HG2 ILE 109 4.738 5.099 2.623 858 1HD1 ILE 109 1HD1 ILE 109 7.236 7.464 5.293 859 2HD1 ILE 109 2HD1 ILE 109 6.862 8.037 3.667 860 3HD1 ILE 109 3HD1 ILE 109 8.521 8.096 4.263 861 H PHE 110 H PHE 110 5.377 2.689 4.873 862 HA PHE 110 HA PHE 110 2.737 2.732 3.995 863 1HB PHE 110 2HB PHE 110 4.194 0.708 4.035 864 2HB PHE 110 1HB PHE 110 4.027 0.642 5.784 865 HD1 PHE 110 1HD PHE 110 1.799 0.077 6.796 866 HD2 PHE 110 2HD PHE 110 2.498 -0.115 2.590 867 HE1 PHE 110 1HE PHE 110 -0.207 -1.311 6.525 868 HE2 PHE 110 2HE PHE 110 0.482 -1.500 2.325 869 HZ PHE 110 HZ PHE 110 -0.871 -2.098 4.289 870 H ASN 111 H ASN 111 3.928 2.293 7.315 871 HA ASN 111 HA ASN 111 1.364 2.354 8.521 872 1HB ASN 111 2HB ASN 111 4.151 2.666 9.654 873 2HB ASN 111 1HB ASN 111 2.708 2.692 10.663 874 1HD2 ASN 111 1HD2 ASN 111 4.968 0.805 10.559 875 2HD2 ASN 111 2HD2 ASN 111 4.259 -0.748 10.311 876 H LEU 112 H LEU 112 3.565 4.835 7.541 877 HA LEU 112 HA LEU 112 2.656 6.900 9.262 878 1HB LEU 112 2HB LEU 112 4.799 6.990 8.040 879 2HB LEU 112 1HB LEU 112 3.925 7.100 6.524 880 HG LEU 112 HG LEU 112 2.977 9.279 7.252 881 1HD1 LEU 112 1HD1 LEU 112 3.957 10.414 9.199 882 2HD1 LEU 112 2HD1 LEU 112 4.822 8.936 9.619 883 3HD1 LEU 112 3HD1 LEU 112 3.058 8.969 9.659 884 1HD2 LEU 112 1HD2 LEU 112 4.984 9.213 5.864 885 2HD2 LEU 112 2HD2 LEU 112 5.994 9.126 7.307 886 3HD2 LEU 112 3HD2 LEU 112 5.036 10.572 6.986 887 H MET 113 H MET 113 1.785 5.976 5.937 888 HA MET 113 HA MET 113 -0.290 8.022 5.855 889 1HB MET 113 2HB MET 113 0.306 5.940 3.749 890 2HB MET 113 1HB MET 113 -0.577 7.444 3.548 891 1HG MET 113 2HG MET 113 2.370 7.155 4.100 892 2HG MET 113 1HG MET 113 1.622 7.641 2.579 893 1HE MET 113 1HE MET 113 3.960 9.246 4.098 894 2HE MET 113 2HE MET 113 3.406 10.910 3.914 895 3HE MET 113 3HE MET 113 3.281 9.787 2.561 896 H LYS 114 H LYS 114 0.014 4.848 6.860 897 HA LYS 114 HA LYS 114 -2.233 3.518 5.955 898 1HB LYS 114 2HB LYS 114 -0.295 2.588 7.272 899 2HB LYS 114 1HB LYS 114 -1.043 3.242 8.721 900 1HG LYS 114 2HG LYS 114 -2.963 1.793 8.427 901 2HG LYS 114 1HG LYS 114 -2.318 1.204 6.893 902 1HD LYS 114 2HD LYS 114 -1.842 -0.436 8.596 903 2HD LYS 114 1HD LYS 114 -0.331 0.334 8.122 904 1HE LYS 114 2HE LYS 114 -0.494 1.809 10.102 905 2HE LYS 114 1HE LYS 114 -1.960 0.959 10.589 906 1HZ LYS 114 1HZ LYS 114 0.030 0.163 11.746 907 2HZ LYS 114 2HZ LYS 114 0.706 -0.307 10.270 908 3HZ LYS 114 3HZ LYS 114 -0.698 -1.061 10.834 909 H PHE 115 H PHE 115 -1.969 5.860 8.577 910 HA PHE 115 HA PHE 115 -4.915 5.829 8.806 911 1HB PHE 115 2HB PHE 115 -3.758 4.843 10.816 912 2HB PHE 115 1HB PHE 115 -2.969 6.394 11.069 913 HD1 PHE 115 1HD PHE 115 -6.426 5.052 10.557 914 HD2 PHE 115 2HD PHE 115 -3.915 7.791 12.646 915 HE1 PHE 115 1HE PHE 115 -8.350 5.792 11.899 916 HE2 PHE 115 2HE PHE 115 -5.838 8.531 13.990 917 HZ PHE 115 HZ PHE 115 -8.059 7.533 13.617 918 H ASP 116 H ASP 116 -3.039 7.391 7.146 919 HA ASP 116 HA ASP 116 -3.778 10.093 8.068 920 1HB ASP 116 2HB ASP 116 -1.366 9.775 8.409 921 2HB ASP 116 1HB ASP 116 -1.178 9.280 6.732 922 H SER 117 H SER 117 -2.062 9.219 5.114 923 HA SER 117 HA SER 117 -3.841 10.654 3.467 924 1HB SER 117 2HB SER 117 -1.858 8.525 2.623 925 2HB SER 117 1HB SER 117 -2.511 9.822 1.620 926 HG SER 117 HG SER 117 -1.476 10.973 3.752 927 H TYR 118 H TYR 118 -3.518 7.224 4.241 928 HA TYR 118 HA TYR 118 -5.466 6.175 2.535 929 1HB TYR 118 2HB TYR 118 -4.062 4.673 3.752 930 2HB TYR 118 1HB TYR 118 -4.554 5.354 5.298 931 HD1 TYR 118 1HD TYR 118 -6.272 4.342 6.515 932 HD2 TYR 118 2HD TYR 118 -5.905 3.472 2.362 933 HE1 TYR 118 1HE TYR 118 -8.002 2.616 6.729 934 HE2 TYR 118 2HE TYR 118 -7.635 1.740 2.569 935 HH TYR 118 HH TYR 118 -8.692 0.377 4.190 936 H ALA 119 H ALA 119 -5.803 7.386 5.868 937 HA ALA 119 HA ALA 119 -8.577 7.011 6.102 938 1HB ALA 119 1HB ALA 119 -8.450 8.562 7.994 939 2HB ALA 119 2HB ALA 119 -6.836 9.061 7.485 940 3HB ALA 119 3HB ALA 119 -7.118 7.406 8.028 941 H ARG 120 H ARG 120 -6.675 9.573 4.703 942 HA ARG 120 HA ARG 120 -8.742 11.495 4.400 943 1HB ARG 120 2HB ARG 120 -6.254 11.918 4.294 944 2HB ARG 120 1HB ARG 120 -6.247 11.150 2.716 945 1HG ARG 120 2HG ARG 120 -6.254 13.509 2.392 946 2HG ARG 120 1HG ARG 120 -7.843 12.898 1.926 947 1HD ARG 120 2HD ARG 120 -8.844 13.712 3.916 948 2HD ARG 120 1HD ARG 120 -7.276 14.011 4.670 949 HE ARG 120 HE ARG 120 -7.653 15.524 2.267 950 1HH1 ARG 120 1HH1 ARG 120 -8.434 15.449 5.680 951 2HH1 ARG 120 2HH1 ARG 120 -8.538 17.175 5.815 952 1HH2 ARG 120 1HH2 ARG 120 -7.761 17.792 2.459 953 2HH2 ARG 120 2HH2 ARG 120 -8.134 18.506 3.999 954 H PHE 121 H PHE 121 -7.365 9.023 2.265 955 HA PHE 121 HA PHE 121 -8.835 9.719 -0.037 956 1HB PHE 121 2HB PHE 121 -6.785 8.423 -0.199 957 2HB PHE 121 1HB PHE 121 -7.509 7.104 0.716 958 HD1 PHE 121 1HD PHE 121 -8.060 9.100 -2.389 959 HD2 PHE 121 2HD PHE 121 -8.445 5.325 -0.447 960 HE1 PHE 121 1HE PHE 121 -8.875 8.106 -4.485 961 HE2 PHE 121 2HE PHE 121 -9.256 4.329 -2.545 962 HZ PHE 121 HZ PHE 121 -9.475 5.720 -4.565 963 H VAL 122 H VAL 122 -9.422 7.253 2.465 964 HA VAL 122 HA VAL 122 -11.665 6.109 1.155 965 HB VAL 122 HB VAL 122 -12.191 5.025 3.295 966 1HG1 VAL 122 1HG1 VAL 122 -10.092 3.781 3.570 967 2HG1 VAL 122 2HG1 VAL 122 -9.235 5.027 2.662 968 3HG1 VAL 122 3HG1 VAL 122 -10.470 4.049 1.868 969 1HG2 VAL 122 1HG2 VAL 122 -10.809 5.430 5.289 970 2HG2 VAL 122 2HG2 VAL 122 -11.706 6.874 4.820 971 3HG2 VAL 122 3HG2 VAL 122 -9.987 6.747 4.451 972 H LYS 123 H LYS 123 -11.309 9.071 2.782 973 HA LYS 123 HA LYS 123 -14.190 9.282 3.310 974 1HB LYS 123 2HB LYS 123 -11.874 11.043 4.132 975 2HB LYS 123 1HB LYS 123 -13.559 11.479 4.392 976 1HG LYS 123 2HG LYS 123 -13.788 9.313 5.687 977 2HG LYS 123 1HG LYS 123 -12.028 9.193 5.612 978 1HD LYS 123 2HD LYS 123 -11.804 11.325 6.770 979 2HD LYS 123 1HD LYS 123 -13.557 11.533 6.768 980 1HE LYS 123 2HE LYS 123 -13.703 9.402 8.107 981 2HE LYS 123 1HE LYS 123 -11.946 9.467 8.264 982 1HZ LYS 123 1HZ LYS 123 -13.026 10.443 10.180 983 2HZ LYS 123 2HZ LYS 123 -13.856 11.543 9.200 984 3HZ LYS 123 3HZ LYS 123 -12.176 11.637 9.336 985 H SER 124 H SER 124 -11.806 10.245 1.019 986 HA SER 124 HA SER 124 -12.987 12.618 0.068 987 1HB SER 124 2HB SER 124 -11.673 12.297 -1.952 988 2HB SER 124 1HB SER 124 -10.694 11.841 -0.559 989 HG SER 124 HG SER 124 -11.707 9.624 -1.144 990 HA PRO 125 HA PRO 125 -16.831 11.376 -1.637 991 1HB PRO 125 2HB PRO 125 -16.832 12.939 -3.961 992 2HB PRO 125 1HB PRO 125 -17.369 13.466 -2.364 993 1HG PRO 125 2HG PRO 125 -14.735 13.890 -3.717 994 2HG PRO 125 1HG PRO 125 -15.668 15.004 -2.698 995 1HD PRO 125 2HD PRO 125 -13.527 13.731 -1.727 996 2HD PRO 125 1HD PRO 125 -14.973 13.974 -0.721 997 H LEU 126 H LEU 126 -14.006 11.333 -3.729 998 HA LEU 126 HA LEU 126 -15.035 9.978 -5.928 999 1HB LEU 126 2HB LEU 126 -12.810 11.080 -5.794 1000 2HB LEU 126 1HB LEU 126 -12.238 9.764 -4.792 1001 HG LEU 126 HG LEU 126 -13.298 9.206 -7.557 1002 1HD1 LEU 126 1HD1 LEU 126 -11.645 10.975 -7.841 1003 2HD1 LEU 126 2HD1 LEU 126 -11.033 9.438 -8.448 1004 3HD1 LEU 126 3HD1 LEU 126 -10.477 10.055 -6.892 1005 1HD2 LEU 126 1HD2 LEU 126 -11.235 7.836 -5.818 1006 2HD2 LEU 126 2HD2 LEU 126 -11.723 7.319 -7.433 1007 3HD2 LEU 126 3HD2 LEU 126 -12.885 7.285 -6.109 1008 H TYR 127 H TYR 127 -13.808 8.729 -2.854 1009 HA TYR 127 HA TYR 127 -13.820 5.998 -3.530 1010 1HB TYR 127 2HB TYR 127 -12.726 6.823 -1.490 1011 2HB TYR 127 1HB TYR 127 -14.289 7.290 -0.823 1012 HD1 TYR 127 1HD TYR 127 -15.259 5.816 0.708 1013 HD2 TYR 127 2HD TYR 127 -12.631 4.255 -2.257 1014 HE1 TYR 127 1HE TYR 127 -15.511 3.566 1.672 1015 HE2 TYR 127 2HE TYR 127 -12.878 2.004 -1.299 1016 HH TYR 127 HH TYR 127 -15.280 1.236 0.988 1017 H ARG 128 H ARG 128 -16.332 8.120 -2.236 1018 HA ARG 128 HA ARG 128 -18.281 6.078 -1.896 1019 1HB ARG 128 2HB ARG 128 -18.396 8.205 -0.677 1020 2HB ARG 128 1HB ARG 128 -18.633 9.073 -2.187 1021 1HG ARG 128 2HG ARG 128 -20.795 8.156 -2.489 1022 2HG ARG 128 1HG ARG 128 -20.541 6.953 -1.224 1023 1HD ARG 128 2HD ARG 128 -20.657 9.939 -0.774 1024 2HD ARG 128 1HD ARG 128 -21.996 8.821 -0.502 1025 HE ARG 128 HE ARG 128 -20.207 7.708 1.062 1026 1HH1 ARG 128 1HH1 ARG 128 -20.949 11.106 0.694 1027 2HH1 ARG 128 2HH1 ARG 128 -20.397 11.527 2.283 1028 1HH2 ARG 128 1HH2 ARG 128 -19.506 8.250 3.162 1029 2HH2 ARG 128 2HH2 ARG 128 -19.600 9.896 3.700 1030 H GLU 129 H GLU 129 -17.340 8.146 -4.567 1031 HA GLU 129 HA GLU 129 -19.523 7.566 -6.282 1032 1HB GLU 129 2HB GLU 129 -16.668 8.249 -7.047 1033 2HB GLU 129 1HB GLU 129 -18.073 8.347 -8.101 1034 1HG GLU 129 2HG GLU 129 -19.030 10.060 -6.570 1035 2HG GLU 129 1HG GLU 129 -17.523 10.022 -5.657 1036 H CYS 130 H CYS 130 -16.448 5.976 -5.645 1037 HA CYS 130 HA CYS 130 -16.651 3.994 -7.657 1038 1HB CYS 130 2HB CYS 130 -15.169 3.923 -5.015 1039 2HB CYS 130 1HB CYS 130 -14.931 2.792 -6.343 1040 HG CYS 130 HG CYS 130 -14.413 6.147 -6.723 1041 H LEU 131 H LEU 131 -17.839 4.215 -4.354 1042 HA LEU 131 HA LEU 131 -18.886 1.518 -4.349 1043 1HB LEU 131 2HB LEU 131 -18.945 3.821 -2.433 1044 2HB LEU 131 1HB LEU 131 -20.102 2.520 -2.231 1045 HG LEU 131 HG LEU 131 -18.278 0.901 -1.983 1046 1HD1 LEU 131 1HD1 LEU 131 -16.599 1.955 -3.392 1047 2HD1 LEU 131 2HD1 LEU 131 -15.958 1.637 -1.781 1048 3HD1 LEU 131 3HD1 LEU 131 -16.434 3.275 -2.233 1049 1HD2 LEU 131 1HD2 LEU 131 -19.165 1.989 0.011 1050 2HD2 LEU 131 2HD2 LEU 131 -17.990 3.294 -0.162 1051 3HD2 LEU 131 3HD2 LEU 131 -17.442 1.655 0.190 1052 H LEU 132 H LEU 132 -19.923 4.582 -5.445 1053 HA LEU 132 HA LEU 132 -22.736 4.174 -5.368 1054 1HB LEU 132 2HB LEU 132 -21.542 6.375 -5.713 1055 2HB LEU 132 1HB LEU 132 -21.157 5.844 -7.338 1056 HG LEU 132 HG LEU 132 -23.621 5.679 -7.795 1057 1HD1 LEU 132 1HD1 LEU 132 -25.155 6.851 -6.286 1058 2HD1 LEU 132 2HD1 LEU 132 -23.842 7.083 -5.130 1059 3HD1 LEU 132 3HD1 LEU 132 -24.413 5.455 -5.504 1060 1HD2 LEU 132 1HD2 LEU 132 -22.579 8.395 -6.976 1061 2HD2 LEU 132 2HD2 LEU 132 -23.944 8.093 -8.053 1062 3HD2 LEU 132 3HD2 LEU 132 -22.319 7.606 -8.532 1063 H ALA 133 H ALA 133 -20.556 4.174 -8.170 1064 HA ALA 133 HA ALA 133 -20.435 2.961 -10.070 1065 1HB ALA 133 1HB ALA 133 -20.406 0.560 -9.784 1066 2HB ALA 133 2HB ALA 133 -21.267 0.707 -8.252 1067 3HB ALA 133 3HB ALA 133 -19.631 1.348 -8.409 1068 H GLU 134 H GLU 134 -23.120 1.112 -8.655 1069 HA GLU 134 HA GLU 134 -24.388 1.036 -11.265 1070 1HB GLU 134 2HB GLU 134 -24.157 -1.001 -9.858 1071 2HB GLU 134 1HB GLU 134 -25.213 -0.271 -8.658 1072 1HG GLU 134 2HG GLU 134 -27.014 -0.188 -10.367 1073 2HG GLU 134 1HG GLU 134 -25.948 -1.052 -11.475 1074 H ALA 135 H ALA 135 -24.872 2.570 -8.172 1075 HA ALA 135 HA ALA 135 -27.647 3.169 -8.555 1076 1HB ALA 135 1HB ALA 135 -25.683 4.344 -6.584 1077 2HB ALA 135 2HB ALA 135 -26.696 2.926 -6.314 1078 3HB ALA 135 3HB ALA 135 -27.437 4.512 -6.525 1079 H GLU 136 H GLU 136 -27.436 4.087 -10.707 1080 HA GLU 136 HA GLU 136 -27.325 6.982 -10.569 1081 1HB GLU 136 2HB GLU 136 -25.022 5.728 -11.394 1082 2HB GLU 136 1HB GLU 136 -25.858 5.924 -12.926 1083 1HG GLU 136 2HG GLU 136 -25.043 8.088 -10.994 1084 2HG GLU 136 1HG GLU 136 -24.387 7.781 -12.600 Start of MODEL 17 1 1H SER 1 1HT SER 1 -14.944 2.369 7.695 2 2H SER 1 2HT SER 1 -16.203 3.482 7.530 3 3H SER 1 3HT SER 1 -14.913 3.499 6.440 4 HA SER 1 HA SER 1 -16.853 2.504 5.448 5 1HB SER 1 2HB SER 1 -15.748 0.259 4.889 6 2HB SER 1 1HB SER 1 -14.772 1.699 4.597 7 HG SER 1 HG SER 1 -13.845 -0.215 5.820 8 H MET 2 H MET 2 -18.362 0.737 5.407 9 HA MET 2 HA MET 2 -19.184 -0.101 8.082 10 1HB MET 2 2HB MET 2 -20.510 -0.519 5.382 11 2HB MET 2 1HB MET 2 -21.214 -0.942 6.936 12 1HG MET 2 2HG MET 2 -21.321 1.375 7.574 13 2HG MET 2 1HG MET 2 -20.469 1.855 6.106 14 1HE MET 2 1HE MET 2 -23.258 -0.909 6.448 15 2HE MET 2 2HE MET 2 -24.714 0.021 6.097 16 3HE MET 2 3HE MET 2 -23.801 0.336 7.574 17 H THR 3 H THR 3 -18.970 -1.726 4.937 18 HA THR 3 HA THR 3 -17.257 -3.810 5.959 19 HB THR 3 HB THR 3 -20.000 -4.596 4.913 20 HG1 THR 3 1HG THR 3 -19.058 -4.158 7.517 21 1HG2 THR 3 1HG2 THR 3 -18.232 -6.224 4.436 22 2HG2 THR 3 2HG2 THR 3 -19.350 -6.853 5.646 23 3HG2 THR 3 3HG2 THR 3 -17.774 -6.238 6.140 24 H GLU 4 H GLU 4 -19.637 -3.288 3.382 25 HA GLU 4 HA GLU 4 -19.530 -3.118 1.152 26 1HB GLU 4 2HB GLU 4 -16.733 -2.236 1.833 27 2HB GLU 4 1HB GLU 4 -17.300 -2.300 0.172 28 1HG GLU 4 2HG GLU 4 -17.494 -0.049 1.044 29 2HG GLU 4 1HG GLU 4 -19.088 -0.715 0.709 30 H GLU 5 H GLU 5 -19.094 -4.304 -0.699 31 HA GLU 5 HA GLU 5 -17.259 -6.562 -0.518 32 1HB GLU 5 2HB GLU 5 -19.419 -7.325 0.475 33 2HB GLU 5 1HB GLU 5 -20.222 -6.937 -1.038 34 1HG GLU 5 2HG GLU 5 -19.788 -9.323 -0.839 35 2HG GLU 5 1HG GLU 5 -18.908 -8.622 -2.196 36 H GLN 6 H GLN 6 -16.274 -5.179 -2.129 37 HA GLN 6 HA GLN 6 -17.175 -5.803 -4.829 38 1HB GLN 6 2HB GLN 6 -16.746 -2.965 -3.831 39 2HB GLN 6 1HB GLN 6 -16.783 -3.394 -5.536 40 1HG GLN 6 2HG GLN 6 -19.056 -3.804 -3.593 41 2HG GLN 6 1HG GLN 6 -18.914 -2.462 -4.727 42 1HE2 GLN 6 1HE2 GLN 6 -20.939 -4.615 -4.467 43 2HE2 GLN 6 2HE2 GLN 6 -21.007 -5.371 -6.021 44 HA PRO 7 HA PRO 7 -12.892 -6.565 -5.635 45 1HB PRO 7 2HB PRO 7 -13.228 -4.693 -7.959 46 2HB PRO 7 1HB PRO 7 -12.502 -6.306 -7.912 47 1HG PRO 7 2HG PRO 7 -14.954 -5.978 -8.878 48 2HG PRO 7 1HG PRO 7 -14.572 -7.378 -7.856 49 1HD PRO 7 2HD PRO 7 -16.098 -4.900 -7.181 50 2HD PRO 7 1HD PRO 7 -16.330 -6.562 -6.601 51 H VAL 8 H VAL 8 -13.786 -3.162 -6.287 52 HA VAL 8 HA VAL 8 -11.170 -2.216 -5.528 53 HB VAL 8 HB VAL 8 -12.010 0.030 -5.976 54 1HG1 VAL 8 1HG1 VAL 8 -11.239 -1.303 -7.863 55 2HG1 VAL 8 2HG1 VAL 8 -12.558 -0.241 -8.354 56 3HG1 VAL 8 3HG1 VAL 8 -12.862 -1.958 -8.086 57 1HG2 VAL 8 1HG2 VAL 8 -14.707 -1.270 -6.416 58 2HG2 VAL 8 2HG2 VAL 8 -14.311 0.427 -6.708 59 3HG2 VAL 8 3HG2 VAL 8 -14.272 -0.218 -5.066 60 H ALA 9 H ALA 9 -13.976 -3.018 -3.818 61 HA ALA 9 HA ALA 9 -13.868 -1.045 -1.759 62 1HB ALA 9 1HB ALA 9 -15.070 -3.815 -1.664 63 2HB ALA 9 2HB ALA 9 -15.896 -2.356 -2.210 64 3HB ALA 9 3HB ALA 9 -15.384 -2.501 -0.529 65 H SER 10 H SER 10 -11.914 -3.689 -2.521 66 HA SER 10 HA SER 10 -11.113 -4.661 -0.033 67 1HB SER 10 2HB SER 10 -9.384 -4.381 -2.507 68 2HB SER 10 1HB SER 10 -9.177 -5.541 -1.193 69 HG SER 10 HG SER 10 -10.852 -5.619 -3.362 70 H TRP 11 H TRP 11 -10.478 -1.629 -1.529 71 HA TRP 11 HA TRP 11 -7.981 -0.967 -0.438 72 1HB TRP 11 2HB TRP 11 -10.273 0.934 -0.988 73 2HB TRP 11 1HB TRP 11 -8.570 1.354 -0.869 74 HD1 TRP 11 HD TRP 11 -7.954 -1.428 -2.820 75 HE1 TRP 11 1HE TRP 11 -8.177 -1.018 -5.355 76 HE3 TRP 11 3HE TRP 11 -10.687 2.874 -2.697 77 HZ2 TRP 11 2HZ TRP 11 -9.362 0.893 -7.070 78 HZ3 TRP 11 3HZ TRP 11 -11.328 3.938 -4.810 79 HH2 TRP 11 HH TRP 11 -10.678 2.969 -6.963 80 H ALA 12 H ALA 12 -11.274 -0.465 0.808 81 HA ALA 12 HA ALA 12 -10.391 0.964 3.137 82 1HB ALA 12 1HB ALA 12 -12.570 1.410 2.111 83 2HB ALA 12 2HB ALA 12 -12.738 0.938 3.802 84 3HB ALA 12 3HB ALA 12 -13.101 -0.221 2.522 85 H LEU 13 H LEU 13 -10.306 -2.262 2.360 86 HA LEU 13 HA LEU 13 -10.875 -3.282 5.014 87 1HB LEU 13 2HB LEU 13 -9.724 -4.676 2.588 88 2HB LEU 13 1HB LEU 13 -10.210 -5.466 4.077 89 HG LEU 13 HG LEU 13 -12.041 -4.041 2.135 90 1HD1 LEU 13 1HD1 LEU 13 -11.766 -6.969 2.813 91 2HD1 LEU 13 2HD1 LEU 13 -11.269 -6.195 1.308 92 3HD1 LEU 13 3HD1 LEU 13 -12.976 -6.264 1.740 93 1HD2 LEU 13 1HD2 LEU 13 -13.877 -4.840 3.548 94 2HD2 LEU 13 2HD2 LEU 13 -12.821 -3.737 4.427 95 3HD2 LEU 13 3HD2 LEU 13 -12.710 -5.475 4.710 96 H SER 14 H SER 14 -8.077 -2.637 2.964 97 HA SER 14 HA SER 14 -6.369 -2.438 5.282 98 1HB SER 14 2HB SER 14 -5.767 -4.519 3.161 99 2HB SER 14 1HB SER 14 -4.715 -4.085 4.506 100 HG SER 14 HG SER 14 -6.894 -4.659 5.693 101 H PHE 15 H PHE 15 -4.722 -1.047 4.940 102 HA PHE 15 HA PHE 15 -4.811 0.655 2.698 103 1HB PHE 15 2HB PHE 15 -4.033 1.389 4.922 104 2HB PHE 15 1HB PHE 15 -2.620 0.353 4.775 105 HD1 PHE 15 1HD PHE 15 -0.929 2.009 4.938 106 HD2 PHE 15 2HD PHE 15 -4.042 2.445 2.056 107 HE1 PHE 15 1HE PHE 15 0.301 3.861 3.887 108 HE2 PHE 15 2HE PHE 15 -2.811 4.295 1.007 109 HZ PHE 15 HZ PHE 15 -0.639 5.007 1.921 110 H GLU 16 H GLU 16 -2.640 -2.005 3.559 111 HA GLU 16 HA GLU 16 -0.830 -1.663 1.462 112 1HB GLU 16 2HB GLU 16 -0.215 -4.061 1.874 113 2HB GLU 16 1HB GLU 16 -0.162 -3.007 3.268 114 1HG GLU 16 2HG GLU 16 -1.111 -4.895 4.147 115 2HG GLU 16 1HG GLU 16 -2.527 -3.918 3.769 116 H ARG 17 H ARG 17 -3.920 -3.350 1.557 117 HA ARG 17 HA ARG 17 -3.770 -4.530 -1.008 118 1HB ARG 17 2HB ARG 17 -6.130 -3.595 0.626 119 2HB ARG 17 1HB ARG 17 -6.340 -4.261 -0.985 120 1HG ARG 17 2HG ARG 17 -5.223 -5.664 1.438 121 2HG ARG 17 1HG ARG 17 -6.750 -5.986 0.621 122 1HD ARG 17 2HD ARG 17 -5.350 -7.691 -0.151 123 2HD ARG 17 1HD ARG 17 -5.292 -6.499 -1.451 124 HE ARG 17 HE ARG 17 -3.210 -6.310 0.568 125 1HH1 ARG 17 1HH1 ARG 17 -4.088 -7.528 -2.607 126 2HH1 ARG 17 2HH1 ARG 17 -2.437 -7.704 -3.118 127 1HH2 ARG 17 1HH2 ARG 17 -1.068 -6.561 -0.110 128 2HH2 ARG 17 2HH2 ARG 17 -0.728 -7.165 -1.704 129 H LEU 18 H LEU 18 -4.961 -1.369 0.047 130 HA LEU 18 HA LEU 18 -5.687 -0.372 -2.496 131 1HB LEU 18 2HB LEU 18 -6.528 0.743 -0.575 132 2HB LEU 18 1HB LEU 18 -4.927 0.929 0.115 133 HG LEU 18 HG LEU 18 -4.397 2.535 -1.761 134 1HD1 LEU 18 1HD1 LEU 18 -7.372 2.397 -2.243 135 2HD1 LEU 18 2HD1 LEU 18 -6.112 1.835 -3.343 136 3HD1 LEU 18 3HD1 LEU 18 -6.252 3.552 -2.970 137 1HD2 LEU 18 1HD2 LEU 18 -4.913 3.343 0.456 138 2HD2 LEU 18 2HD2 LEU 18 -6.644 3.249 0.125 139 3HD2 LEU 18 3HD2 LEU 18 -5.639 4.407 -0.749 140 H LEU 19 H LEU 19 -2.713 -0.206 -0.643 141 HA LEU 19 HA LEU 19 -1.530 1.785 -2.330 142 1HB LEU 19 2HB LEU 19 -1.239 1.669 0.137 143 2HB LEU 19 1HB LEU 19 -0.317 0.192 -0.067 144 HG LEU 19 HG LEU 19 1.408 1.391 -1.281 145 1HD1 LEU 19 1HD1 LEU 19 1.337 3.856 -1.460 146 2HD1 LEU 19 2HD1 LEU 19 -0.320 3.833 -0.853 147 3HD1 LEU 19 3HD1 LEU 19 0.066 3.073 -2.397 148 1HD2 LEU 19 1HD2 LEU 19 2.271 2.780 0.536 149 2HD2 LEU 19 2HD2 LEU 19 1.599 1.267 1.141 150 3HD2 LEU 19 3HD2 LEU 19 0.683 2.764 1.304 151 H GLN 20 H GLN 20 -1.438 -1.681 -2.132 152 HA GLN 20 HA GLN 20 0.886 -1.751 -3.938 153 1HB GLN 20 2HB GLN 20 0.905 -3.145 -1.848 154 2HB GLN 20 1HB GLN 20 -0.429 -4.076 -2.512 155 1HG GLN 20 2HG GLN 20 0.940 -4.858 -4.325 156 2HG GLN 20 1HG GLN 20 2.258 -3.791 -3.848 157 1HE2 GLN 20 1HE2 GLN 20 1.916 -4.310 -1.007 158 2HE2 GLN 20 2HE2 GLN 20 2.524 -5.899 -0.724 159 H ASP 21 H ASP 21 -2.299 -1.432 -4.270 160 HA ASP 21 HA ASP 21 -2.579 -3.302 -6.522 161 1HB ASP 21 2HB ASP 21 -4.424 -3.106 -4.810 162 2HB ASP 21 1HB ASP 21 -4.682 -1.453 -5.357 163 HA PRO 22 HA PRO 22 -1.370 -0.033 -9.287 164 1HB PRO 22 2HB PRO 22 -2.992 -1.527 -11.288 165 2HB PRO 22 1HB PRO 22 -1.294 -1.041 -11.354 166 1HG PRO 22 2HG PRO 22 -1.968 -3.588 -10.925 167 2HG PRO 22 1HG PRO 22 -0.589 -2.856 -10.080 168 1HD PRO 22 2HD PRO 22 -3.356 -3.416 -9.067 169 2HD PRO 22 1HD PRO 22 -1.793 -3.610 -8.243 170 H LEU 23 H LEU 23 -4.726 -1.201 -9.430 171 HA LEU 23 HA LEU 23 -5.737 1.197 -10.633 172 1HB LEU 23 2HB LEU 23 -6.704 -1.185 -10.744 173 2HB LEU 23 1HB LEU 23 -7.342 -0.888 -9.141 174 HG LEU 23 HG LEU 23 -8.030 0.869 -11.506 175 1HD1 LEU 23 1HD1 LEU 23 -10.106 -0.414 -11.714 176 2HD1 LEU 23 2HD1 LEU 23 -9.528 -1.552 -10.497 177 3HD1 LEU 23 3HD1 LEU 23 -8.691 -1.415 -12.044 178 1HD2 LEU 23 1HD2 LEU 23 -9.991 1.446 -10.138 179 2HD2 LEU 23 2HD2 LEU 23 -8.483 1.856 -9.324 180 3HD2 LEU 23 3HD2 LEU 23 -9.383 0.419 -8.840 181 H GLY 24 H GLY 24 -5.644 -0.169 -7.379 182 1HA GLY 24 2HA GLY 24 -7.099 1.809 -6.023 183 2HA GLY 24 1HA GLY 24 -5.867 0.776 -5.311 184 H LEU 25 H LEU 25 -3.582 1.478 -6.365 185 HA LEU 25 HA LEU 25 -2.899 3.865 -5.081 186 1HB LEU 25 2HB LEU 25 -1.511 1.741 -6.096 187 2HB LEU 25 1HB LEU 25 -1.097 2.986 -7.257 188 HG LEU 25 HG LEU 25 -0.625 3.102 -4.267 189 1HD1 LEU 25 1HD1 LEU 25 0.880 1.570 -5.388 190 2HD1 LEU 25 2HD1 LEU 25 1.749 3.019 -4.882 191 3HD1 LEU 25 3HD1 LEU 25 1.297 2.807 -6.574 192 1HD2 LEU 25 1HD2 LEU 25 0.082 5.121 -6.405 193 2HD2 LEU 25 2HD2 LEU 25 0.611 5.178 -4.723 194 3HD2 LEU 25 3HD2 LEU 25 -1.100 5.334 -5.112 195 H ALA 26 H ALA 26 -3.973 3.239 -8.348 196 HA ALA 26 HA ALA 26 -3.154 5.646 -9.566 197 1HB ALA 26 1HB ALA 26 -4.905 5.212 -11.218 198 2HB ALA 26 2HB ALA 26 -5.622 4.000 -10.155 199 3HB ALA 26 3HB ALA 26 -4.019 3.732 -10.841 200 H TYR 27 H TYR 27 -6.229 4.785 -7.984 201 HA TYR 27 HA TYR 27 -7.355 7.383 -8.093 202 1HB TYR 27 2HB TYR 27 -7.904 4.941 -6.411 203 2HB TYR 27 1HB TYR 27 -8.746 6.453 -6.094 204 HD1 TYR 27 1HD TYR 27 -10.894 6.466 -6.914 205 HD2 TYR 27 2HD TYR 27 -7.884 4.488 -9.186 206 HE1 TYR 27 1HE TYR 27 -12.562 5.918 -8.631 207 HE2 TYR 27 2HE TYR 27 -9.549 3.934 -10.910 208 HH TYR 27 HH TYR 27 -12.677 5.348 -10.972 209 H PHE 28 H PHE 28 -5.375 5.713 -5.703 210 HA PHE 28 HA PHE 28 -5.628 7.626 -3.641 211 1HB PHE 28 2HB PHE 28 -4.901 5.290 -3.272 212 2HB PHE 28 1HB PHE 28 -3.392 5.634 -4.111 213 HD1 PHE 28 1HD PHE 28 -1.550 6.481 -2.930 214 HD2 PHE 28 2HD PHE 28 -5.425 6.629 -1.160 215 HE1 PHE 28 1HE PHE 28 -0.552 7.211 -0.805 216 HE2 PHE 28 2HE PHE 28 -4.426 7.360 0.966 217 HZ PHE 28 HZ PHE 28 -1.988 7.652 1.146 218 H THR 29 H THR 29 -3.221 7.235 -6.228 219 HA THR 29 HA THR 29 -1.454 9.223 -5.248 220 HB THR 29 HB THR 29 -0.790 7.438 -6.902 221 HG1 THR 29 1HG THR 29 -0.235 10.163 -7.552 222 1HG2 THR 29 1HG2 THR 29 -2.149 9.261 -8.897 223 2HG2 THR 29 2HG2 THR 29 -2.676 7.635 -8.456 224 3HG2 THR 29 3HG2 THR 29 -1.138 7.868 -9.287 225 H GLU 30 H GLU 30 -4.228 9.292 -7.417 226 HA GLU 30 HA GLU 30 -4.083 11.982 -8.236 227 1HB GLU 30 2HB GLU 30 -5.681 10.509 -9.272 228 2HB GLU 30 1HB GLU 30 -6.432 10.135 -7.730 229 1HG GLU 30 2HG GLU 30 -7.838 11.597 -9.064 230 2HG GLU 30 1HG GLU 30 -7.316 12.400 -7.585 231 H PHE 31 H PHE 31 -5.522 10.454 -5.410 232 HA PHE 31 HA PHE 31 -6.620 12.772 -4.226 233 1HB PHE 31 2HB PHE 31 -7.248 10.383 -3.755 234 2HB PHE 31 1HB PHE 31 -5.737 10.203 -2.878 235 HD1 PHE 31 1HD PHE 31 -9.056 11.772 -2.874 236 HD2 PHE 31 2HD PHE 31 -5.475 11.102 -0.661 237 HE1 PHE 31 1HE PHE 31 -10.182 12.529 -0.828 238 HE2 PHE 31 2HE PHE 31 -6.601 11.864 1.390 239 HZ PHE 31 HZ PHE 31 -8.956 12.575 1.309 240 H LEU 32 H LEU 32 -3.432 11.476 -4.320 241 HA LEU 32 HA LEU 32 -2.517 13.116 -2.040 242 1HB LEU 32 2HB LEU 32 -2.191 10.669 -1.919 243 2HB LEU 32 1HB LEU 32 -1.272 10.717 -3.407 244 HG LEU 32 HG LEU 32 0.484 12.028 -2.282 245 1HD1 LEU 32 1HD1 LEU 32 -1.140 11.617 0.228 246 2HD1 LEU 32 2HD1 LEU 32 -0.905 13.155 -0.609 247 3HD1 LEU 32 3HD1 LEU 32 0.472 12.330 0.123 248 1HD2 LEU 32 1HD2 LEU 32 0.650 9.597 -2.365 249 2HD2 LEU 32 2HD2 LEU 32 -0.254 9.472 -0.855 250 3HD2 LEU 32 3HD2 LEU 32 1.341 10.225 -0.869 251 H LYS 33 H LYS 33 -2.830 13.509 -5.213 252 HA LYS 33 HA LYS 33 -0.141 14.555 -5.750 253 1HB LYS 33 2HB LYS 33 -1.386 13.080 -7.404 254 2HB LYS 33 1HB LYS 33 -2.502 14.411 -7.647 255 1HG LYS 33 2HG LYS 33 0.430 14.853 -8.054 256 2HG LYS 33 1HG LYS 33 -0.507 14.016 -9.289 257 1HD LYS 33 2HD LYS 33 -2.002 15.930 -9.487 258 2HD LYS 33 1HD LYS 33 -1.138 16.765 -8.196 259 1HE LYS 33 2HE LYS 33 0.916 16.695 -9.597 260 2HE LYS 33 1HE LYS 33 -0.042 15.988 -10.900 261 1HZ LYS 33 1HZ LYS 33 0.258 18.405 -11.103 262 2HZ LYS 33 2HZ LYS 33 -0.589 18.627 -9.657 263 3HZ LYS 33 3HZ LYS 33 -1.369 17.961 -11.002 264 H LYS 34 H LYS 34 -3.181 15.570 -4.694 265 HA LYS 34 HA LYS 34 -3.706 17.969 -5.937 266 1HB LYS 34 2HB LYS 34 -4.128 17.426 -2.990 267 2HB LYS 34 1HB LYS 34 -5.031 18.551 -3.996 268 1HG LYS 34 2HG LYS 34 -5.016 15.551 -4.308 269 2HG LYS 34 1HG LYS 34 -6.283 16.499 -3.526 270 1HD LYS 34 2HD LYS 34 -6.742 17.647 -5.637 271 2HD LYS 34 1HD LYS 34 -5.449 16.736 -6.423 272 1HE LYS 34 2HE LYS 34 -7.673 15.788 -6.899 273 2HE LYS 34 1HE LYS 34 -6.637 14.652 -6.034 274 1HZ LYS 34 1HZ LYS 34 -8.764 16.326 -4.808 275 2HZ LYS 34 2HZ LYS 34 -7.781 15.230 -3.983 276 3HZ LYS 34 3HZ LYS 34 -8.881 14.674 -5.138 277 H GLU 35 H GLU 35 -2.169 17.737 -2.741 278 HA GLU 35 HA GLU 35 -0.983 20.381 -3.072 279 1HB GLU 35 2HB GLU 35 -0.407 20.255 -0.733 280 2HB GLU 35 1HB GLU 35 -2.072 19.732 -0.922 281 1HG GLU 35 2HG GLU 35 0.335 17.971 -0.472 282 2HG GLU 35 1HG GLU 35 -0.945 18.328 0.682 283 H PHE 36 H PHE 36 -0.199 17.346 -3.937 284 HA PHE 36 HA PHE 36 1.632 16.409 -4.842 285 1HB PHE 36 2HB PHE 36 2.251 18.632 -5.717 286 2HB PHE 36 1HB PHE 36 3.067 19.004 -4.201 287 HD1 PHE 36 1HD PHE 36 3.127 16.761 -7.150 288 HD2 PHE 36 2HD PHE 36 5.292 18.285 -3.810 289 HE1 PHE 36 1HE PHE 36 5.188 15.738 -8.016 290 HE2 PHE 36 2HE PHE 36 7.354 17.261 -4.676 291 HZ PHE 36 HZ PHE 36 7.302 15.987 -6.781 292 H SER 37 H SER 37 1.418 14.987 -3.059 293 HA SER 37 HA SER 37 3.848 15.048 -1.400 294 1HB SER 37 2HB SER 37 1.146 14.096 -0.412 295 2HB SER 37 1HB SER 37 2.625 14.279 0.526 296 HG SER 37 HG SER 37 0.923 16.262 -0.527 297 H ALA 38 H ALA 38 2.408 13.625 -3.857 298 HA ALA 38 HA ALA 38 2.074 10.915 -3.162 299 1HB ALA 38 1HB ALA 38 1.899 10.507 -5.547 300 2HB ALA 38 2HB ALA 38 2.587 12.094 -5.891 301 3HB ALA 38 3HB ALA 38 1.010 11.966 -5.110 302 H GLU 39 H GLU 39 4.932 12.576 -3.245 303 HA GLU 39 HA GLU 39 6.534 10.674 -4.671 304 1HB GLU 39 2HB GLU 39 6.937 13.289 -3.743 305 2HB GLU 39 1HB GLU 39 8.069 12.313 -2.810 306 1HG GLU 39 2HG GLU 39 9.074 13.200 -4.861 307 2HG GLU 39 1HG GLU 39 9.054 11.438 -4.837 308 H ASN 40 H ASN 40 5.255 10.817 -1.491 309 HA ASN 40 HA ASN 40 7.263 9.235 -0.217 310 1HB ASN 40 2HB ASN 40 5.798 9.036 1.658 311 2HB ASN 40 1HB ASN 40 5.594 10.665 1.033 312 1HD2 ASN 40 1HD2 ASN 40 3.619 11.278 0.228 313 2HD2 ASN 40 2HD2 ASN 40 2.208 10.290 0.331 314 H VAL 41 H VAL 41 4.249 8.498 -1.923 315 HA VAL 41 HA VAL 41 4.458 5.681 -1.407 316 HB VAL 41 HB VAL 41 2.618 5.372 -2.971 317 1HG1 VAL 41 1HG1 VAL 41 0.907 6.708 -1.827 318 2HG1 VAL 41 2HG1 VAL 41 2.167 7.734 -1.142 319 3HG1 VAL 41 3HG1 VAL 41 2.077 6.030 -0.693 320 1HG2 VAL 41 1HG2 VAL 41 1.582 7.247 -4.155 321 2HG2 VAL 41 2HG2 VAL 41 3.251 7.013 -4.674 322 3HG2 VAL 41 3HG2 VAL 41 2.847 8.326 -3.568 323 H THR 42 H THR 42 5.606 7.891 -3.858 324 HA THR 42 HA THR 42 6.435 5.997 -5.775 325 HB THR 42 HB THR 42 7.776 8.629 -5.068 326 HG1 THR 42 1HG THR 42 6.363 9.557 -6.463 327 1HG2 THR 42 1HG2 THR 42 9.191 7.183 -6.462 328 2HG2 THR 42 2HG2 THR 42 8.607 8.568 -7.383 329 3HG2 THR 42 3HG2 THR 42 7.867 6.984 -7.611 330 H PHE 43 H PHE 43 8.123 7.435 -2.989 331 HA PHE 43 HA PHE 43 10.471 5.943 -3.051 332 1HB PHE 43 2HB PHE 43 10.254 7.770 -1.503 333 2HB PHE 43 1HB PHE 43 8.861 7.028 -0.727 334 HD1 PHE 43 1HD PHE 43 12.504 6.504 -1.325 335 HD2 PHE 43 2HD PHE 43 9.149 5.733 1.189 336 HE1 PHE 43 1HE PHE 43 13.988 5.482 0.348 337 HE2 PHE 43 2HE PHE 43 10.636 4.710 2.860 338 HZ PHE 43 HZ PHE 43 13.057 4.586 2.443 339 H TRP 44 H TRP 44 7.321 5.181 -1.642 340 HA TRP 44 HA TRP 44 7.972 2.694 -0.516 341 1HB TRP 44 2HB TRP 44 5.860 4.045 -0.117 342 2HB TRP 44 1HB TRP 44 5.276 3.463 -1.672 343 HD1 TRP 44 HD TRP 44 6.031 2.254 1.888 344 HE1 TRP 44 1HE TRP 44 4.855 -0.002 2.267 345 HE3 TRP 44 3HE TRP 44 4.353 1.412 -2.872 346 HZ2 TRP 44 2HZ TRP 44 3.394 -1.886 0.747 347 HZ3 TRP 44 3HZ TRP 44 3.071 -0.644 -3.323 348 HH2 TRP 44 HH TRP 44 2.605 -2.255 -1.549 349 H LYS 45 H LYS 45 6.737 3.552 -3.737 350 HA LYS 45 HA LYS 45 6.481 0.993 -4.829 351 1HB LYS 45 2HB LYS 45 7.281 3.583 -6.187 352 2HB LYS 45 1HB LYS 45 6.859 2.111 -7.047 353 1HG LYS 45 2HG LYS 45 4.593 2.216 -6.172 354 2HG LYS 45 1HG LYS 45 5.008 3.649 -5.226 355 1HD LYS 45 2HD LYS 45 5.523 4.861 -7.314 356 2HD LYS 45 1HD LYS 45 5.067 3.433 -8.246 357 1HE LYS 45 2HE LYS 45 2.784 3.594 -7.352 358 2HE LYS 45 1HE LYS 45 3.247 5.026 -6.431 359 1HZ LYS 45 1HZ LYS 45 3.322 4.801 -9.392 360 2HZ LYS 45 2HZ LYS 45 3.688 6.183 -8.488 361 3HZ LYS 45 3HZ LYS 45 2.109 5.582 -8.507 362 H ALA 46 H ALA 46 9.246 3.206 -4.826 363 HA ALA 46 HA ALA 46 11.004 1.667 -6.353 364 1HB ALA 46 1HB ALA 46 11.668 3.632 -4.155 365 2HB ALA 46 2HB ALA 46 11.374 4.032 -5.848 366 3HB ALA 46 3HB ALA 46 12.776 3.060 -5.403 367 H CYS 47 H CYS 47 10.651 1.852 -2.812 368 HA CYS 47 HA CYS 47 12.637 -0.086 -2.244 369 1HB CYS 47 2HB CYS 47 11.888 1.520 -0.559 370 2HB CYS 47 1HB CYS 47 10.276 0.810 -0.571 371 HG CYS 47 HG CYS 47 11.733 -1.775 0.123 372 H GLU 48 H GLU 48 9.197 -0.288 -2.885 373 HA GLU 48 HA GLU 48 8.837 -2.998 -2.133 374 1HB GLU 48 2HB GLU 48 7.040 -1.243 -2.451 375 2HB GLU 48 1HB GLU 48 7.257 -1.418 -4.182 376 1HG GLU 48 2HG GLU 48 6.528 -3.744 -2.425 377 2HG GLU 48 1HG GLU 48 5.314 -2.650 -3.082 378 H ARG 49 H ARG 49 9.696 -1.383 -5.147 379 HA ARG 49 HA ARG 49 9.812 -3.711 -6.778 380 1HB ARG 49 2HB ARG 49 9.668 -1.344 -7.614 381 2HB ARG 49 1HB ARG 49 11.333 -1.109 -7.101 382 1HG ARG 49 2HG ARG 49 11.941 -3.022 -8.656 383 2HG ARG 49 1HG ARG 49 10.300 -2.894 -9.293 384 1HD ARG 49 2HD ARG 49 12.512 -0.861 -9.391 385 2HD ARG 49 1HD ARG 49 11.631 -1.587 -10.734 386 HE ARG 49 HE ARG 49 9.657 -0.307 -9.920 387 1HH1 ARG 49 1HH1 ARG 49 12.897 0.757 -9.093 388 2HH1 ARG 49 2HH1 ARG 49 12.433 2.419 -8.898 389 1HH2 ARG 49 1HH2 ARG 49 9.036 1.856 -9.605 390 2HH2 ARG 49 2HH2 ARG 49 10.227 3.047 -9.168 391 H PHE 50 H PHE 50 12.012 -2.029 -4.685 392 HA PHE 50 HA PHE 50 14.436 -3.233 -5.449 393 1HB PHE 50 2HB PHE 50 14.300 -1.140 -4.184 394 2HB PHE 50 1HB PHE 50 13.580 -1.987 -2.824 395 HD1 PHE 50 1HD PHE 50 14.937 -2.672 -1.091 396 HD2 PHE 50 2HD PHE 50 16.661 -1.993 -4.925 397 HE1 PHE 50 1HE PHE 50 17.177 -3.022 -0.145 398 HE2 PHE 50 2HE PHE 50 18.901 -2.349 -3.983 399 HZ PHE 50 HZ PHE 50 19.164 -2.861 -1.591 400 H GLN 51 H GLN 51 12.009 -4.091 -3.008 401 HA GLN 51 HA GLN 51 13.552 -6.305 -2.003 402 1HB GLN 51 2HB GLN 51 11.563 -6.828 -0.652 403 2HB GLN 51 1HB GLN 51 12.035 -5.143 -0.501 404 1HG GLN 51 2HG GLN 51 10.258 -4.515 -2.075 405 2HG GLN 51 1HG GLN 51 9.774 -6.207 -2.187 406 1HE2 GLN 51 1HE2 GLN 51 8.725 -7.168 -0.450 407 2HE2 GLN 51 2HE2 GLN 51 8.042 -6.253 0.849 408 H GLN 52 H GLN 52 11.597 -5.842 -4.720 409 HA GLN 52 HA GLN 52 10.721 -8.566 -5.023 410 1HB GLN 52 2HB GLN 52 10.847 -6.239 -6.951 411 2HB GLN 52 1HB GLN 52 10.282 -7.836 -7.420 412 1HG GLN 52 2HG GLN 52 8.492 -7.688 -5.749 413 2HG GLN 52 1HG GLN 52 9.056 -6.080 -5.297 414 1HE2 GLN 52 1HE2 GLN 52 7.462 -7.980 -7.740 415 2HE2 GLN 52 2HE2 GLN 52 6.822 -6.651 -8.641 416 H ILE 53 H ILE 53 13.679 -6.977 -5.397 417 HA ILE 53 HA ILE 53 14.750 -8.592 -7.515 418 HB ILE 53 HB ILE 53 16.223 -6.966 -5.420 419 1HG1 ILE 53 2HG1 ILE 53 15.431 -6.215 -8.255 420 2HG1 ILE 53 1HG1 ILE 53 14.651 -5.616 -6.795 421 1HG2 ILE 53 1HG2 ILE 53 18.103 -7.016 -7.015 422 2HG2 ILE 53 2HG2 ILE 53 17.176 -8.087 -8.065 423 3HG2 ILE 53 3HG2 ILE 53 17.666 -8.630 -6.460 424 1HD1 ILE 53 1HD1 ILE 53 16.736 -4.535 -6.129 425 2HD1 ILE 53 2HD1 ILE 53 16.183 -3.978 -7.707 426 3HD1 ILE 53 3HD1 ILE 53 17.514 -5.130 -7.596 427 HA PRO 54 HA PRO 54 15.113 -12.172 -4.912 428 1HB PRO 54 2HB PRO 54 16.312 -13.840 -6.663 429 2HB PRO 54 1HB PRO 54 14.634 -13.319 -6.858 430 1HG PRO 54 2HG PRO 54 17.109 -12.254 -8.185 431 2HG PRO 54 1HG PRO 54 15.544 -12.668 -8.914 432 1HD PRO 54 2HD PRO 54 16.233 -10.120 -8.290 433 2HD PRO 54 1HD PRO 54 14.556 -10.698 -8.216 434 H ALA 55 H ALA 55 17.390 -10.100 -4.915 435 HA ALA 55 HA ALA 55 19.287 -9.871 -3.703 436 1HB ALA 55 1HB ALA 55 18.327 -11.519 -2.160 437 2HB ALA 55 2HB ALA 55 20.084 -11.642 -2.257 438 3HB ALA 55 3HB ALA 55 19.071 -12.816 -3.095 439 H SER 56 H SER 56 19.225 -12.581 -5.953 440 HA SER 56 HA SER 56 21.921 -13.107 -6.237 441 1HB SER 56 2HB SER 56 21.257 -13.834 -8.592 442 2HB SER 56 1HB SER 56 20.337 -14.562 -7.274 443 HG SER 56 HG SER 56 19.549 -12.616 -9.147 444 H ASP 57 H ASP 57 19.929 -10.725 -7.938 445 HA ASP 57 HA ASP 57 22.149 -9.657 -9.425 446 1HB ASP 57 2HB ASP 57 19.330 -8.606 -9.043 447 2HB ASP 57 1HB ASP 57 20.510 -7.939 -10.167 448 H THR 58 H THR 58 23.395 -9.403 -7.354 449 HA THR 58 HA THR 58 22.740 -7.493 -5.407 450 HB THR 58 HB THR 58 25.523 -8.312 -6.284 451 HG1 THR 58 1HG THR 58 23.540 -9.605 -4.736 452 1HG2 THR 58 1HG2 THR 58 25.478 -6.409 -4.722 453 2HG2 THR 58 2HG2 THR 58 26.133 -7.854 -3.951 454 3HG2 THR 58 3HG2 THR 58 24.478 -7.345 -3.609 455 H GLN 59 H GLN 59 24.445 -7.242 -8.475 456 HA GLN 59 HA GLN 59 25.269 -4.566 -8.312 457 1HB GLN 59 2HB GLN 59 25.246 -4.652 -10.828 458 2HB GLN 59 1HB GLN 59 26.141 -5.955 -10.059 459 1HG GLN 59 2HG GLN 59 24.251 -7.467 -10.403 460 2HG GLN 59 1HG GLN 59 23.344 -6.163 -11.163 461 1HE2 GLN 59 1HE2 GLN 59 26.778 -6.625 -11.661 462 2HE2 GLN 59 2HE2 GLN 59 26.661 -7.117 -13.313 463 H GLN 60 H GLN 60 22.213 -5.999 -9.400 464 HA GLN 60 HA GLN 60 21.024 -3.556 -10.235 465 1HB GLN 60 2HB GLN 60 20.224 -5.753 -11.016 466 2HB GLN 60 1HB GLN 60 19.711 -6.149 -9.382 467 1HG GLN 60 2HG GLN 60 17.828 -5.486 -10.782 468 2HG GLN 60 1HG GLN 60 18.058 -4.371 -9.437 469 1HE2 GLN 60 1HE2 GLN 60 18.727 -2.271 -9.852 470 2HE2 GLN 60 2HE2 GLN 60 18.707 -1.589 -11.439 471 H LEU 61 H LEU 61 21.064 -5.372 -7.215 472 HA LEU 61 HA LEU 61 19.303 -3.814 -5.704 473 1HB LEU 61 2HB LEU 61 21.806 -5.309 -4.906 474 2HB LEU 61 1HB LEU 61 20.754 -4.531 -3.740 475 HG LEU 61 HG LEU 61 19.857 -6.730 -5.614 476 1HD1 LEU 61 1HD1 LEU 61 20.649 -6.897 -2.702 477 2HD1 LEU 61 2HD1 LEU 61 21.553 -7.566 -4.061 478 3HD1 LEU 61 3HD1 LEU 61 19.958 -8.203 -3.665 479 1HD2 LEU 61 1HD2 LEU 61 17.917 -6.852 -4.126 480 2HD2 LEU 61 2HD2 LEU 61 18.060 -5.251 -4.851 481 3HD2 LEU 61 3HD2 LEU 61 18.552 -5.506 -3.176 482 H ALA 62 H ALA 62 22.821 -3.502 -6.129 483 HA ALA 62 HA ALA 62 23.215 -1.229 -4.561 484 1HB ALA 62 1HB ALA 62 24.750 -2.069 -7.025 485 2HB ALA 62 2HB ALA 62 25.039 -2.645 -5.383 486 3HB ALA 62 3HB ALA 62 25.311 -0.949 -5.783 487 H GLN 63 H GLN 63 22.465 -1.513 -8.015 488 HA GLN 63 HA GLN 63 22.606 1.233 -8.621 489 1HB GLN 63 2HB GLN 63 21.073 -1.008 -9.956 490 2HB GLN 63 1HB GLN 63 21.194 0.617 -10.616 491 1HG GLN 63 2HG GLN 63 23.496 -1.265 -10.106 492 2HG GLN 63 1HG GLN 63 22.784 -0.889 -11.675 493 1HE2 GLN 63 1HE2 GLN 63 24.805 0.252 -9.093 494 2HE2 GLN 63 2HE2 GLN 63 25.437 1.628 -9.927 495 H GLU 64 H GLU 64 19.763 -0.813 -7.897 496 HA GLU 64 HA GLU 64 17.856 1.241 -8.094 497 1HB GLU 64 2HB GLU 64 17.329 -1.204 -8.071 498 2HB GLU 64 1HB GLU 64 17.700 -1.236 -6.353 499 1HG GLU 64 2HG GLU 64 15.334 -1.134 -6.589 500 2HG GLU 64 1HG GLU 64 15.879 0.432 -5.992 501 H ALA 65 H ALA 65 19.608 -0.062 -5.300 502 HA ALA 65 HA ALA 65 18.505 1.533 -3.295 503 1HB ALA 65 1HB ALA 65 19.945 -0.409 -2.855 504 2HB ALA 65 2HB ALA 65 20.519 1.025 -2.008 505 3HB ALA 65 3HB ALA 65 21.335 0.483 -3.475 506 H ARG 66 H ARG 66 21.160 2.129 -5.519 507 HA ARG 66 HA ARG 66 22.059 4.565 -4.414 508 1HB ARG 66 2HB ARG 66 23.407 3.199 -5.933 509 2HB ARG 66 1HB ARG 66 22.263 3.468 -7.235 510 1HG ARG 66 2HG ARG 66 23.541 5.854 -5.998 511 2HG ARG 66 1HG ARG 66 24.533 4.822 -7.027 512 1HD ARG 66 2HD ARG 66 22.717 5.046 -8.783 513 2HD ARG 66 1HD ARG 66 22.011 6.304 -7.765 514 HE ARG 66 HE ARG 66 24.394 7.314 -7.982 515 1HH1 ARG 66 1HH1 ARG 66 22.599 5.657 -10.495 516 2HH1 ARG 66 2HH1 ARG 66 23.422 6.467 -11.787 517 1HH2 ARG 66 1HH2 ARG 66 25.476 8.380 -9.678 518 2HH2 ARG 66 2HH2 ARG 66 25.045 8.034 -11.327 519 H ASN 67 H ASN 67 19.591 3.800 -6.829 520 HA ASN 67 HA ASN 67 18.979 6.467 -7.572 521 1HB ASN 67 2HB ASN 67 17.302 3.943 -7.619 522 2HB ASN 67 1HB ASN 67 16.707 5.489 -8.211 523 1HD2 ASN 67 1HD2 ASN 67 18.772 2.804 -8.819 524 2HD2 ASN 67 2HD2 ASN 67 19.218 3.240 -10.428 525 H ILE 68 H ILE 68 17.285 4.258 -5.365 526 HA ILE 68 HA ILE 68 15.447 6.000 -4.265 527 HB ILE 68 HB ILE 68 16.913 3.776 -2.812 528 1HG1 ILE 68 2HG1 ILE 68 14.324 3.682 -4.390 529 2HG1 ILE 68 1HG1 ILE 68 15.866 3.030 -4.932 530 1HG2 ILE 68 1HG2 ILE 68 14.919 3.662 -1.385 531 2HG2 ILE 68 2HG2 ILE 68 14.231 5.046 -2.235 532 3HG2 ILE 68 3HG2 ILE 68 15.701 5.238 -1.279 533 1HD1 ILE 68 1HD1 ILE 68 15.841 1.439 -3.083 534 2HD1 ILE 68 2HD1 ILE 68 14.410 1.279 -4.099 535 3HD1 ILE 68 3HD1 ILE 68 14.297 2.093 -2.539 536 H TYR 69 H TYR 69 18.791 5.417 -3.351 537 HA TYR 69 HA TYR 69 18.950 6.986 -1.048 538 1HB TYR 69 2HB TYR 69 20.700 5.381 -1.794 539 2HB TYR 69 1HB TYR 69 21.107 6.458 -3.120 540 HD1 TYR 69 1HD TYR 69 21.283 5.992 0.530 541 HD2 TYR 69 2HD TYR 69 22.441 8.441 -2.757 542 HE1 TYR 69 1HE TYR 69 22.919 7.138 1.962 543 HE2 TYR 69 2HE TYR 69 24.078 9.590 -1.330 544 HH TYR 69 HH TYR 69 25.045 8.417 1.669 545 H GLN 70 H GLN 70 19.958 7.860 -4.361 546 HA GLN 70 HA GLN 70 20.597 10.528 -3.550 547 1HB GLN 70 2HB GLN 70 20.569 9.179 -6.251 548 2HB GLN 70 1HB GLN 70 21.100 10.837 -5.997 549 1HG GLN 70 2HG GLN 70 22.847 10.046 -4.476 550 2HG GLN 70 1HG GLN 70 22.317 8.386 -4.737 551 1HE2 GLN 70 1HE2 GLN 70 22.390 10.770 -7.294 552 2HE2 GLN 70 2HE2 GLN 70 23.709 10.074 -8.163 553 H GLU 71 H GLU 71 17.673 9.111 -4.492 554 HA GLU 71 HA GLU 71 16.632 11.633 -5.575 555 1HB GLU 71 2HB GLU 71 15.457 8.850 -5.519 556 2HB GLU 71 1HB GLU 71 14.587 10.261 -6.107 557 1HG GLU 71 2HG GLU 71 16.307 10.594 -7.825 558 2HG GLU 71 1HG GLU 71 17.152 9.163 -7.239 559 H PHE 72 H PHE 72 16.018 9.330 -2.928 560 HA PHE 72 HA PHE 72 14.006 11.229 -1.867 561 1HB PHE 72 2HB PHE 72 14.037 8.230 -1.448 562 2HB PHE 72 1HB PHE 72 12.760 9.356 -1.004 563 HD1 PHE 72 1HD PHE 72 14.097 7.240 -3.572 564 HD2 PHE 72 2HD PHE 72 11.485 10.533 -2.857 565 HE1 PHE 72 1HE PHE 72 13.037 6.869 -5.757 566 HE2 PHE 72 2HE PHE 72 10.418 10.157 -5.043 567 HZ PHE 72 HZ PHE 72 11.201 8.328 -6.497 568 H LEU 73 H LEU 73 17.054 9.906 -1.217 569 HA LEU 73 HA LEU 73 16.656 10.220 1.689 570 1HB LEU 73 2HB LEU 73 18.088 7.932 0.331 571 2HB LEU 73 1HB LEU 73 18.029 8.200 2.066 572 HG LEU 73 HG LEU 73 15.570 7.729 0.366 573 1HD1 LEU 73 1HD1 LEU 73 17.093 5.745 2.057 574 2HD1 LEU 73 2HD1 LEU 73 17.027 5.762 0.295 575 3HD1 LEU 73 3HD1 LEU 73 15.564 5.450 1.228 576 1HD2 LEU 73 1HD2 LEU 73 14.488 7.295 2.518 577 2HD2 LEU 73 2HD2 LEU 73 15.152 8.927 2.449 578 3HD2 LEU 73 3HD2 LEU 73 15.994 7.669 3.357 579 H SER 74 H SER 74 18.297 11.406 -0.842 580 HA SER 74 HA SER 74 20.924 11.553 0.366 581 1HB SER 74 2HB SER 74 21.337 13.147 -1.599 582 2HB SER 74 1HB SER 74 20.943 11.477 -2.007 583 HG SER 74 HG SER 74 19.712 12.868 -3.275 584 H SER 75 H SER 75 21.944 13.774 0.620 585 HA SER 75 HA SER 75 20.653 15.172 2.651 586 1HB SER 75 2HB SER 75 22.442 16.903 2.291 587 2HB SER 75 1HB SER 75 23.058 15.257 2.434 588 HG SER 75 HG SER 75 23.529 15.220 0.316 589 H GLN 76 H GLN 76 21.124 16.128 -0.739 590 HA GLN 76 HA GLN 76 18.970 18.122 -0.460 591 1HB GLN 76 2HB GLN 76 21.087 17.852 -2.615 592 2HB GLN 76 1HB GLN 76 19.895 19.139 -2.500 593 1HG GLN 76 2HG GLN 76 20.894 19.869 -0.380 594 2HG GLN 76 1HG GLN 76 22.098 18.587 -0.515 595 1HE2 GLN 76 1HE2 GLN 76 23.810 20.038 -0.553 596 2HE2 GLN 76 2HE2 GLN 76 24.151 21.041 -1.921 597 H ALA 77 H ALA 77 18.178 15.527 -0.537 598 HA ALA 77 HA ALA 77 17.779 14.279 -2.977 599 1HB ALA 77 1HB ALA 77 15.958 13.067 -1.885 600 2HB ALA 77 2HB ALA 77 15.954 14.246 -0.572 601 3HB ALA 77 3HB ALA 77 17.358 13.208 -0.821 602 H LEU 78 H LEU 78 15.977 14.119 -4.366 603 HA LEU 78 HA LEU 78 14.772 16.547 -5.149 604 1HB LEU 78 2HB LEU 78 14.086 13.673 -5.819 605 2HB LEU 78 1HB LEU 78 13.281 15.045 -6.552 606 HG LEU 78 HG LEU 78 15.458 15.785 -7.503 607 1HD1 LEU 78 1HD1 LEU 78 17.357 14.244 -7.527 608 2HD1 LEU 78 2HD1 LEU 78 16.499 13.160 -6.430 609 3HD1 LEU 78 3HD1 LEU 78 16.976 14.769 -5.887 610 1HD2 LEU 78 1HD2 LEU 78 13.913 14.451 -8.835 611 2HD2 LEU 78 2HD2 LEU 78 14.639 12.967 -8.216 612 3HD2 LEU 78 3HD2 LEU 78 15.585 14.057 -9.230 613 H SER 79 H SER 79 13.768 13.907 -3.115 614 HA SER 79 HA SER 79 11.928 15.601 -1.712 615 1HB SER 79 2HB SER 79 10.493 14.755 -3.579 616 2HB SER 79 1HB SER 79 10.834 13.105 -3.057 617 HG SER 79 HG SER 79 9.142 14.992 -1.977 618 HA PRO 80 HA PRO 80 14.233 12.669 0.898 619 1HB PRO 80 2HB PRO 80 14.395 14.235 3.082 620 2HB PRO 80 1HB PRO 80 15.391 14.526 1.652 621 1HG PRO 80 2HG PRO 80 12.843 15.877 2.488 622 2HG PRO 80 1HG PRO 80 14.347 16.604 1.890 623 1HD PRO 80 2HD PRO 80 12.181 16.177 0.298 624 2HD PRO 80 1HD PRO 80 13.848 16.138 -0.313 625 H VAL 81 H VAL 81 11.379 12.419 0.523 626 HA VAL 81 HA VAL 81 9.350 12.140 1.586 627 HB VAL 81 HB VAL 81 9.570 9.940 3.016 628 1HG1 VAL 81 1HG1 VAL 81 9.616 8.641 0.941 629 2HG1 VAL 81 2HG1 VAL 81 10.259 10.034 0.073 630 3HG1 VAL 81 3HG1 VAL 81 8.635 10.094 0.757 631 1HG2 VAL 81 1HG2 VAL 81 12.037 10.126 3.335 632 2HG2 VAL 81 2HG2 VAL 81 12.248 9.957 1.595 633 3HG2 VAL 81 3HG2 VAL 81 11.562 8.630 2.534 634 H ASN 82 H ASN 82 10.941 10.877 4.428 635 HA ASN 82 HA ASN 82 10.856 13.214 5.991 636 1HB ASN 82 2HB ASN 82 8.385 12.779 5.805 637 2HB ASN 82 1HB ASN 82 8.630 11.230 6.597 638 1HD2 ASN 82 1HD2 ASN 82 9.222 11.217 8.821 639 2HD2 ASN 82 2HD2 ASN 82 8.959 12.595 9.821 640 H ILE 83 H ILE 83 9.794 10.129 7.272 641 HA ILE 83 HA ILE 83 10.705 8.877 8.960 642 HB ILE 83 HB ILE 83 12.460 7.382 8.101 643 1HG1 ILE 83 2HG1 ILE 83 12.521 9.272 5.724 644 2HG1 ILE 83 1HG1 ILE 83 13.833 9.012 6.870 645 1HG2 ILE 83 1HG2 ILE 83 10.136 6.983 7.531 646 2HG2 ILE 83 2HG2 ILE 83 11.192 6.503 6.203 647 3HG2 ILE 83 3HG2 ILE 83 10.288 8.015 6.109 648 1HD1 ILE 83 1HD1 ILE 83 14.030 6.700 6.112 649 2HD1 ILE 83 2HD1 ILE 83 14.229 7.844 4.785 650 3HD1 ILE 83 3HD1 ILE 83 12.712 6.964 4.969 651 H ASP 84 H ASP 84 13.446 8.086 9.323 652 HA ASP 84 HA ASP 84 14.541 10.549 10.534 653 1HB ASP 84 2HB ASP 84 14.991 7.666 11.379 654 2HB ASP 84 1HB ASP 84 15.657 9.092 12.173 655 H ARG 85 H ARG 85 15.772 11.226 8.809 656 HA ARG 85 HA ARG 85 17.454 9.338 7.380 657 1HB ARG 85 2HB ARG 85 17.203 12.327 7.008 658 2HB ARG 85 1HB ARG 85 17.972 11.199 5.900 659 1HG ARG 85 2HG ARG 85 15.782 10.098 5.558 660 2HG ARG 85 1HG ARG 85 15.040 11.315 6.597 661 1HD ARG 85 2HD ARG 85 16.384 11.736 3.932 662 2HD ARG 85 1HD ARG 85 14.686 11.985 4.332 663 HE ARG 85 HE ARG 85 16.899 13.777 4.858 664 1HH1 ARG 85 1HH1 ARG 85 13.588 12.956 5.690 665 2HH1 ARG 85 2HH1 ARG 85 13.213 14.551 6.263 666 1HH2 ARG 85 1HH2 ARG 85 16.396 15.862 5.582 667 2HH2 ARG 85 2HH2 ARG 85 14.797 16.216 6.163 668 H GLN 86 H GLN 86 17.766 11.536 10.001 669 HA GLN 86 HA GLN 86 20.615 11.933 9.731 670 1HB GLN 86 2HB GLN 86 18.852 12.375 12.156 671 2HB GLN 86 1HB GLN 86 20.480 12.997 11.925 672 1HG GLN 86 2HG GLN 86 18.054 13.748 10.299 673 2HG GLN 86 1HG GLN 86 18.787 14.719 11.572 674 1HE2 GLN 86 1HE2 GLN 86 19.084 13.581 8.304 675 2HE2 GLN 86 2HE2 GLN 86 20.355 14.653 7.829 676 H ALA 87 H ALA 87 18.451 9.818 11.523 677 HA ALA 87 HA ALA 87 20.713 8.332 12.666 678 1HB ALA 87 1HB ALA 87 17.739 8.051 13.140 679 2HB ALA 87 2HB ALA 87 18.875 8.919 14.172 680 3HB ALA 87 3HB ALA 87 19.009 7.171 13.992 681 H TRP 88 H TRP 88 19.883 8.357 9.788 682 HA TRP 88 HA TRP 88 18.746 5.747 9.270 683 1HB TRP 88 2HB TRP 88 18.205 7.814 7.941 684 2HB TRP 88 1HB TRP 88 19.851 7.790 7.319 685 HD1 TRP 88 HD TRP 88 16.869 5.295 7.446 686 HE1 TRP 88 1HE TRP 88 16.803 4.041 5.195 687 HE3 TRP 88 3HE TRP 88 20.905 7.470 5.203 688 HZ2 TRP 88 2HZ TRP 88 18.261 4.009 2.787 689 HZ3 TRP 88 3HZ TRP 88 21.500 6.779 2.918 690 HH2 TRP 88 HH TRP 88 20.209 5.085 1.736 691 H LEU 89 H LEU 89 19.971 4.571 7.288 692 HA LEU 89 HA LEU 89 22.328 3.484 8.413 693 1HB LEU 89 2HB LEU 89 21.219 3.181 5.609 694 2HB LEU 89 1HB LEU 89 22.523 2.222 6.278 695 HG LEU 89 HG LEU 89 20.837 1.456 8.058 696 1HD1 LEU 89 1HD1 LEU 89 19.135 3.174 7.652 697 2HD1 LEU 89 2HD1 LEU 89 18.485 1.549 7.445 698 3HD1 LEU 89 3HD1 LEU 89 18.872 2.531 6.029 699 1HD2 LEU 89 1HD2 LEU 89 19.941 -0.282 6.595 700 2HD2 LEU 89 2HD2 LEU 89 21.642 0.025 6.250 701 3HD2 LEU 89 3HD2 LEU 89 20.397 0.665 5.178 702 H GLY 90 H GLY 90 22.094 4.838 5.132 703 1HA GLY 90 2HA GLY 90 23.331 6.715 4.346 704 2HA GLY 90 1HA GLY 90 24.472 6.487 5.661 705 H GLU 91 H GLU 91 26.376 5.764 5.036 706 HA GLU 91 HA GLU 91 26.946 5.108 2.360 707 1HB GLU 91 2HB GLU 91 28.521 6.168 3.991 708 2HB GLU 91 1HB GLU 91 28.678 4.613 4.794 709 1HG GLU 91 2HG GLU 91 30.571 4.994 3.354 710 2HG GLU 91 1HG GLU 91 29.608 3.654 2.729 711 H GLU 92 H GLU 92 26.045 3.137 5.049 712 HA GLU 92 HA GLU 92 27.249 0.703 4.350 713 1HB GLU 92 2HB GLU 92 24.667 1.219 5.853 714 2HB GLU 92 1HB GLU 92 25.450 -0.349 5.739 715 1HG GLU 92 2HG GLU 92 26.182 0.372 7.787 716 2HG GLU 92 1HG GLU 92 27.504 0.892 6.749 717 H VAL 93 H VAL 93 24.507 2.390 3.152 718 HA VAL 93 HA VAL 93 23.156 0.246 1.911 719 HB VAL 93 HB VAL 93 23.132 3.215 1.335 720 1HG1 VAL 93 1HG1 VAL 93 21.302 1.077 0.235 721 2HG1 VAL 93 2HG1 VAL 93 22.458 2.042 -0.684 722 3HG1 VAL 93 3HG1 VAL 93 21.061 2.816 0.064 723 1HG2 VAL 93 1HG2 VAL 93 20.962 3.154 2.500 724 2HG2 VAL 93 2HG2 VAL 93 22.284 2.625 3.538 725 3HG2 VAL 93 3HG2 VAL 93 21.195 1.437 2.824 726 H LEU 94 H LEU 94 25.584 2.553 0.799 727 HA LEU 94 HA LEU 94 25.565 1.580 -1.912 728 1HB LEU 94 2HB LEU 94 27.443 3.474 -0.481 729 2HB LEU 94 1HB LEU 94 27.517 3.116 -2.194 730 HG LEU 94 HG LEU 94 26.444 5.228 -1.957 731 1HD1 LEU 94 1HD1 LEU 94 24.335 3.139 -2.497 732 2HD1 LEU 94 2HD1 LEU 94 25.484 3.793 -3.666 733 3HD1 LEU 94 3HD1 LEU 94 24.252 4.839 -2.961 734 1HD2 LEU 94 1HD2 LEU 94 24.433 5.588 -0.615 735 2HD2 LEU 94 2HD2 LEU 94 25.793 5.081 0.387 736 3HD2 LEU 94 3HD2 LEU 94 24.522 3.929 -0.023 737 H ALA 95 H ALA 95 27.187 0.845 1.014 738 HA ALA 95 HA ALA 95 29.475 -0.438 -0.179 739 1HB ALA 95 1HB ALA 95 28.463 -0.534 2.667 740 2HB ALA 95 2HB ALA 95 29.616 0.635 2.022 741 3HB ALA 95 3HB ALA 95 30.046 -1.072 2.104 742 H GLU 96 H GLU 96 26.523 -1.551 1.488 743 HA GLU 96 HA GLU 96 26.870 -4.186 0.231 744 1HB GLU 96 2HB GLU 96 26.183 -3.717 3.142 745 2HB GLU 96 1HB GLU 96 26.146 -5.277 2.334 746 1HG GLU 96 2HG GLU 96 28.569 -5.086 1.910 747 2HG GLU 96 1HG GLU 96 28.582 -3.562 2.800 748 HA PRO 97 HA PRO 97 22.519 -2.971 -0.404 749 1HB PRO 97 2HB PRO 97 22.259 -3.947 -2.890 750 2HB PRO 97 1HB PRO 97 23.097 -2.421 -2.584 751 1HG PRO 97 2HG PRO 97 24.244 -5.142 -3.098 752 2HG PRO 97 1HG PRO 97 24.772 -3.568 -3.723 753 1HD PRO 97 2HD PRO 97 25.942 -4.866 -1.586 754 2HD PRO 97 1HD PRO 97 26.014 -3.113 -1.853 755 H ARG 98 H ARG 98 20.681 -4.204 -0.167 756 HA ARG 98 HA ARG 98 20.640 -7.042 -0.663 757 1HB ARG 98 2HB ARG 98 19.885 -7.555 1.716 758 2HB ARG 98 1HB ARG 98 21.601 -7.247 1.502 759 1HG ARG 98 2HG ARG 98 19.985 -4.875 2.196 760 2HG ARG 98 1HG ARG 98 20.072 -6.126 3.440 761 1HD ARG 98 2HD ARG 98 22.477 -4.925 2.058 762 2HD ARG 98 1HD ARG 98 21.850 -4.381 3.614 763 HE ARG 98 HE ARG 98 22.394 -6.562 4.518 764 1HH1 ARG 98 1HH1 ARG 98 23.797 -5.846 1.384 765 2HH1 ARG 98 2HH1 ARG 98 25.129 -6.936 1.596 766 1HH2 ARG 98 1HH2 ARG 98 24.153 -7.998 4.780 767 2HH2 ARG 98 2HH2 ARG 98 25.325 -8.158 3.507 768 HA PRO 99 HA PRO 99 16.493 -5.931 -1.553 769 1HB PRO 99 2HB PRO 99 15.198 -8.297 -1.396 770 2HB PRO 99 1HB PRO 99 16.397 -7.957 -2.651 771 1HG PRO 99 2HG PRO 99 16.738 -9.458 -0.070 772 2HG PRO 99 1HG PRO 99 17.285 -9.904 -1.699 773 1HD PRO 99 2HD PRO 99 18.940 -8.777 0.125 774 2HD PRO 99 1HD PRO 99 19.105 -8.477 -1.617 775 H ASP 100 H ASP 100 17.281 -5.785 1.372 776 HA ASP 100 HA ASP 100 14.548 -5.836 2.467 777 1HB ASP 100 2HB ASP 100 15.963 -7.588 3.513 778 2HB ASP 100 1HB ASP 100 17.139 -6.362 3.973 779 H MET 101 H MET 101 17.275 -4.599 4.224 780 HA MET 101 HA MET 101 17.926 -2.533 4.866 781 1HB MET 101 2HB MET 101 19.029 -2.855 2.694 782 2HB MET 101 1HB MET 101 17.679 -2.073 1.890 783 1HG MET 101 2HG MET 101 18.179 0.014 3.031 784 2HG MET 101 1HG MET 101 19.501 -0.763 3.903 785 1HE MET 101 1HE MET 101 22.025 -1.562 1.021 786 2HE MET 101 2HE MET 101 20.778 -2.633 1.660 787 3HE MET 101 3HE MET 101 21.727 -1.628 2.757 788 H PHE 102 H PHE 102 15.948 -1.305 2.176 789 HA PHE 102 HA PHE 102 15.272 0.983 3.759 790 1HB PHE 102 2HB PHE 102 14.171 0.239 1.042 791 2HB PHE 102 1HB PHE 102 14.177 1.835 1.780 792 HD1 PHE 102 1HD PHE 102 15.803 -0.300 -0.470 793 HD2 PHE 102 2HD PHE 102 16.573 2.785 2.368 794 HE1 PHE 102 1HE PHE 102 17.933 0.192 -1.588 795 HE2 PHE 102 2HE PHE 102 18.703 3.282 1.237 796 HZ PHE 102 HZ PHE 102 19.380 1.988 -0.740 797 H ARG 103 H ARG 103 13.797 -2.051 3.311 798 HA ARG 103 HA ARG 103 11.108 -1.366 3.091 799 1HB ARG 103 2HB ARG 103 10.603 -3.646 3.879 800 2HB ARG 103 1HB ARG 103 11.862 -3.620 2.658 801 1HG ARG 103 2HG ARG 103 12.690 -5.153 4.156 802 2HG ARG 103 1HG ARG 103 13.489 -3.675 4.687 803 1HD ARG 103 2HD ARG 103 11.842 -3.404 6.467 804 2HD ARG 103 1HD ARG 103 10.979 -4.838 5.905 805 HE ARG 103 HE ARG 103 13.766 -5.240 6.600 806 1HH1 ARG 103 1HH1 ARG 103 10.434 -5.404 7.656 807 2HH1 ARG 103 2HH1 ARG 103 10.765 -6.501 8.954 808 1HH2 ARG 103 1HH2 ARG 103 14.206 -6.685 8.299 809 2HH2 ARG 103 2HH2 ARG 103 12.919 -7.230 9.323 810 H ALA 104 H ALA 104 13.171 -1.243 5.862 811 HA ALA 104 HA ALA 104 11.097 -1.161 7.828 812 1HB ALA 104 1HB ALA 104 12.843 -0.321 9.337 813 2HB ALA 104 2HB ALA 104 13.935 -0.127 7.964 814 3HB ALA 104 3HB ALA 104 13.390 -1.736 8.438 815 H GLN 105 H GLN 105 12.818 1.247 5.909 816 HA GLN 105 HA GLN 105 11.589 3.505 7.186 817 1HB GLN 105 2HB GLN 105 13.158 3.249 4.610 818 2HB GLN 105 1HB GLN 105 12.538 4.776 5.215 819 1HG GLN 105 2HG GLN 105 14.812 4.680 5.830 820 2HG GLN 105 1HG GLN 105 13.886 4.394 7.301 821 1HE2 GLN 105 1HE2 GLN 105 13.999 2.394 8.293 822 2HE2 GLN 105 2HE2 GLN 105 15.169 1.198 7.857 823 H GLN 106 H GLN 106 11.081 1.716 4.159 824 HA GLN 106 HA GLN 106 9.119 3.391 3.055 825 1HB GLN 106 2HB GLN 106 8.659 1.653 1.507 826 2HB GLN 106 1HB GLN 106 10.364 1.493 1.893 827 1HG GLN 106 2HG GLN 106 9.850 -0.681 2.085 828 2HG GLN 106 1HG GLN 106 9.334 -0.212 3.701 829 1HE2 GLN 106 1HE2 GLN 106 8.308 -1.149 0.521 830 2HE2 GLN 106 2HE2 GLN 106 6.655 -1.451 0.920 831 H LEU 107 H LEU 107 8.950 0.778 5.376 832 HA LEU 107 HA LEU 107 6.123 0.576 5.442 833 1HB LEU 107 2HB LEU 107 7.791 -1.151 6.241 834 2HB LEU 107 1HB LEU 107 8.044 -0.149 7.657 835 HG LEU 107 HG LEU 107 5.645 -0.411 8.242 836 1HD1 LEU 107 1HD1 LEU 107 5.586 -2.342 5.922 837 2HD1 LEU 107 2HD1 LEU 107 4.751 -0.790 6.004 838 3HD1 LEU 107 3HD1 LEU 107 4.293 -2.095 7.097 839 1HD2 LEU 107 1HD2 LEU 107 5.793 -2.755 8.959 840 2HD2 LEU 107 2HD2 LEU 107 7.306 -1.894 9.236 841 3HD2 LEU 107 3HD2 LEU 107 7.159 -2.999 7.869 842 H GLN 108 H GLN 108 8.427 2.719 6.949 843 HA GLN 108 HA GLN 108 6.644 3.662 8.980 844 1HB GLN 108 2HB GLN 108 9.155 3.845 9.095 845 2HB GLN 108 1HB GLN 108 9.071 5.114 7.876 846 1HG GLN 108 2HG GLN 108 7.881 6.559 9.334 847 2HG GLN 108 1HG GLN 108 7.587 5.265 10.494 848 1HE2 GLN 108 1HE2 GLN 108 9.287 4.564 11.815 849 2HE2 GLN 108 2HE2 GLN 108 10.692 5.538 12.081 850 H ILE 109 H ILE 109 7.420 4.627 5.673 851 HA ILE 109 HA ILE 109 5.738 6.904 5.531 852 HB ILE 109 HB ILE 109 6.726 4.946 3.458 853 1HG1 ILE 109 2HG1 ILE 109 7.750 7.030 2.499 854 2HG1 ILE 109 1HG1 ILE 109 7.134 7.917 3.888 855 1HG2 ILE 109 1HG2 ILE 109 4.470 5.457 2.730 856 2HG2 ILE 109 2HG2 ILE 109 5.637 6.263 1.683 857 3HG2 ILE 109 3HG2 ILE 109 4.773 7.186 2.914 858 1HD1 ILE 109 1HD1 ILE 109 9.097 5.641 3.985 859 2HD1 ILE 109 2HD1 ILE 109 8.506 6.564 5.368 860 3HD1 ILE 109 3HD1 ILE 109 9.483 7.355 4.131 861 H PHE 110 H PHE 110 5.210 3.475 4.947 862 HA PHE 110 HA PHE 110 2.557 3.473 4.160 863 1HB PHE 110 2HB PHE 110 4.110 1.511 4.168 864 2HB PHE 110 1HB PHE 110 3.930 1.413 5.913 865 HD1 PHE 110 1HD PHE 110 1.794 0.678 6.907 866 HD2 PHE 110 2HD PHE 110 2.402 0.757 2.693 867 HE1 PHE 110 1HE PHE 110 -0.176 -0.764 6.595 868 HE2 PHE 110 2HE PHE 110 0.435 -0.677 2.379 869 HZ PHE 110 HZ PHE 110 -0.856 -1.439 4.326 870 H ASN 111 H ASN 111 3.813 2.998 7.467 871 HA ASN 111 HA ASN 111 1.302 2.935 8.732 872 1HB ASN 111 2HB ASN 111 4.093 3.419 9.762 873 2HB ASN 111 1HB ASN 111 2.702 3.518 10.835 874 1HD2 ASN 111 1HD2 ASN 111 4.741 1.423 8.988 875 2HD2 ASN 111 2HD2 ASN 111 4.110 -0.066 9.593 876 H LEU 112 H LEU 112 3.270 5.593 7.698 877 HA LEU 112 HA LEU 112 2.213 7.605 9.384 878 1HB LEU 112 2HB LEU 112 4.295 7.688 7.885 879 2HB LEU 112 1HB LEU 112 3.206 8.022 6.556 880 HG LEU 112 HG LEU 112 3.397 9.782 9.016 881 1HD1 LEU 112 1HD1 LEU 112 4.788 11.281 7.669 882 2HD1 LEU 112 2HD1 LEU 112 4.806 10.097 6.361 883 3HD1 LEU 112 3HD1 LEU 112 5.569 9.718 7.906 884 1HD2 LEU 112 1HD2 LEU 112 1.322 10.055 7.768 885 2HD2 LEU 112 2HD2 LEU 112 2.227 10.269 6.269 886 3HD2 LEU 112 3HD2 LEU 112 2.354 11.469 7.554 887 H MET 113 H MET 113 1.429 6.760 6.000 888 HA MET 113 HA MET 113 -0.891 8.470 5.989 889 1HB MET 113 2HB MET 113 -0.030 6.389 3.966 890 2HB MET 113 1HB MET 113 -1.278 7.602 3.726 891 1HG MET 113 2HG MET 113 1.657 8.130 4.151 892 2HG MET 113 1HG MET 113 0.773 8.269 2.631 893 1HE MET 113 1HE MET 113 1.589 12.008 3.583 894 2HE MET 113 2HE MET 113 1.759 10.756 2.354 895 3HE MET 113 3HE MET 113 2.605 10.601 3.894 896 H LYS 114 H LYS 114 -0.241 5.290 6.950 897 HA LYS 114 HA LYS 114 -2.605 3.911 6.432 898 1HB LYS 114 2HB LYS 114 -0.541 2.871 7.251 899 2HB LYS 114 1HB LYS 114 -0.720 3.688 8.793 900 1HG LYS 114 2HG LYS 114 -2.624 2.357 9.363 901 2HG LYS 114 1HG LYS 114 -2.703 1.674 7.734 902 1HD LYS 114 2HD LYS 114 -0.566 0.560 8.061 903 2HD LYS 114 1HD LYS 114 -0.379 1.317 9.642 904 1HE LYS 114 2HE LYS 114 -2.645 -0.549 8.944 905 2HE LYS 114 1HE LYS 114 -1.132 -1.083 9.674 906 1HZ LYS 114 1HZ LYS 114 -2.795 -0.751 11.359 907 2HZ LYS 114 2HZ LYS 114 -3.063 0.836 10.854 908 3HZ LYS 114 3HZ LYS 114 -1.580 0.411 11.546 909 H PHE 115 H PHE 115 -1.964 6.438 8.713 910 HA PHE 115 HA PHE 115 -4.738 6.207 9.693 911 1HB PHE 115 2HB PHE 115 -2.248 6.928 11.254 912 2HB PHE 115 1HB PHE 115 -3.870 7.301 11.830 913 HD1 PHE 115 1HD PHE 115 -1.370 4.706 11.387 914 HD2 PHE 115 2HD PHE 115 -5.448 5.473 12.366 915 HE1 PHE 115 1HE PHE 115 -1.566 2.453 12.351 916 HE2 PHE 115 2HE PHE 115 -5.643 3.219 13.330 917 HZ PHE 115 HZ PHE 115 -3.701 1.706 13.324 918 H ASP 116 H ASP 116 -3.420 7.761 7.480 919 HA ASP 116 HA ASP 116 -4.426 10.399 8.286 920 1HB ASP 116 2HB ASP 116 -2.005 10.549 8.515 921 2HB ASP 116 1HB ASP 116 -1.780 9.907 6.891 922 H SER 117 H SER 117 -2.748 9.686 5.268 923 HA SER 117 HA SER 117 -4.823 10.802 3.730 924 1HB SER 117 2HB SER 117 -2.523 9.037 2.844 925 2HB SER 117 1HB SER 117 -3.529 10.018 1.774 926 HG SER 117 HG SER 117 -2.175 11.185 3.965 927 H TYR 118 H TYR 118 -3.933 7.431 4.388 928 HA TYR 118 HA TYR 118 -5.844 6.162 2.777 929 1HB TYR 118 2HB TYR 118 -4.116 4.843 3.763 930 2HB TYR 118 1HB TYR 118 -4.538 5.369 5.386 931 HD1 TYR 118 1HD TYR 118 -6.088 3.555 2.490 932 HD2 TYR 118 2HD TYR 118 -5.726 3.893 6.720 933 HE1 TYR 118 1HE TYR 118 -7.467 1.540 2.767 934 HE2 TYR 118 2HE TYR 118 -7.108 1.883 7.006 935 HH TYR 118 HH TYR 118 -8.776 0.600 5.775 936 H ALA 119 H ALA 119 -6.049 7.417 6.068 937 HA ALA 119 HA ALA 119 -8.538 6.357 6.776 938 1HB ALA 119 1HB ALA 119 -6.969 7.303 8.400 939 2HB ALA 119 2HB ALA 119 -8.563 8.043 8.546 940 3HB ALA 119 3HB ALA 119 -7.255 8.915 7.746 941 H ARG 120 H ARG 120 -7.704 9.465 5.241 942 HA ARG 120 HA ARG 120 -10.443 10.338 5.209 943 1HB ARG 120 2HB ARG 120 -8.471 11.911 5.271 944 2HB ARG 120 1HB ARG 120 -8.161 11.488 3.589 945 1HG ARG 120 2HG ARG 120 -10.472 12.268 3.038 946 2HG ARG 120 1HG ARG 120 -10.624 12.831 4.701 947 1HD ARG 120 2HD ARG 120 -8.617 14.275 4.311 948 2HD ARG 120 1HD ARG 120 -8.673 13.802 2.612 949 HE ARG 120 HE ARG 120 -10.276 15.761 3.886 950 1HH1 ARG 120 1HH1 ARG 120 -10.451 13.293 1.390 951 2HH1 ARG 120 2HH1 ARG 120 -11.770 14.051 0.565 952 1HH2 ARG 120 1HH2 ARG 120 -12.006 16.752 2.780 953 2HH2 ARG 120 2HH2 ARG 120 -12.649 16.011 1.347 954 H PHE 121 H PHE 121 -8.199 8.973 2.849 955 HA PHE 121 HA PHE 121 -9.599 9.377 0.510 956 1HB PHE 121 2HB PHE 121 -7.341 8.492 0.513 957 2HB PHE 121 1HB PHE 121 -7.876 7.015 1.305 958 HD1 PHE 121 1HD PHE 121 -8.203 8.986 -1.826 959 HD2 PHE 121 2HD PHE 121 -8.604 5.175 0.035 960 HE1 PHE 121 1HE PHE 121 -8.565 7.951 -4.028 961 HE2 PHE 121 2HE PHE 121 -8.966 4.138 -2.163 962 HZ PHE 121 HZ PHE 121 -8.947 5.526 -4.198 963 H VAL 122 H VAL 122 -9.886 6.618 2.738 964 HA VAL 122 HA VAL 122 -11.778 5.244 1.107 965 HB VAL 122 HB VAL 122 -12.049 3.705 2.998 966 1HG1 VAL 122 1HG1 VAL 122 -9.719 2.936 3.134 967 2HG1 VAL 122 2HG1 VAL 122 -9.173 4.484 2.487 968 3HG1 VAL 122 3HG1 VAL 122 -10.156 3.410 1.492 969 1HG2 VAL 122 1HG2 VAL 122 -11.991 5.318 4.837 970 2HG2 VAL 122 2HG2 VAL 122 -10.285 5.636 4.524 971 3HG2 VAL 122 3HG2 VAL 122 -10.796 4.045 5.087 972 H LYS 123 H LYS 123 -12.128 7.840 3.339 973 HA LYS 123 HA LYS 123 -15.001 7.251 3.636 974 1HB LYS 123 2HB LYS 123 -15.071 8.801 5.465 975 2HB LYS 123 1HB LYS 123 -13.724 7.705 5.726 976 1HG LYS 123 2HG LYS 123 -12.159 9.418 4.989 977 2HG LYS 123 1HG LYS 123 -13.498 10.518 4.651 978 1HD LYS 123 2HD LYS 123 -14.123 10.461 7.039 979 2HD LYS 123 1HD LYS 123 -12.759 9.390 7.362 980 1HE LYS 123 2HE LYS 123 -11.211 11.139 6.612 981 2HE LYS 123 1HE LYS 123 -12.576 12.205 6.277 982 1HZ LYS 123 1HZ LYS 123 -11.878 11.110 8.946 983 2HZ LYS 123 2HZ LYS 123 -13.133 12.189 8.608 984 3HZ LYS 123 3HZ LYS 123 -11.527 12.677 8.415 985 H SER 124 H SER 124 -12.990 8.907 1.629 986 HA SER 124 HA SER 124 -14.573 11.288 1.246 987 1HB SER 124 2HB SER 124 -12.414 10.053 -0.497 988 2HB SER 124 1HB SER 124 -13.094 11.669 -0.699 989 HG SER 124 HG SER 124 -12.044 10.975 1.795 990 HA PRO 125 HA PRO 125 -17.790 9.640 -1.325 991 1HB PRO 125 2HB PRO 125 -17.973 11.727 -3.176 992 2HB PRO 125 1HB PRO 125 -18.794 11.669 -1.614 993 1HG PRO 125 2HG PRO 125 -16.252 13.046 -2.372 994 2HG PRO 125 1HG PRO 125 -17.548 13.596 -1.293 995 1HD PRO 125 2HD PRO 125 -15.241 12.645 -0.316 996 2HD PRO 125 1HD PRO 125 -16.788 12.293 0.486 997 H LEU 126 H LEU 126 -14.850 10.879 -2.778 998 HA LEU 126 HA LEU 126 -14.958 9.898 -5.349 999 1HB LEU 126 2HB LEU 126 -13.154 11.303 -4.375 1000 2HB LEU 126 1HB LEU 126 -12.559 9.911 -3.496 1001 HG LEU 126 HG LEU 126 -12.687 9.891 -6.513 1002 1HD1 LEU 126 1HD1 LEU 126 -10.361 10.667 -6.558 1003 2HD1 LEU 126 2HD1 LEU 126 -10.421 10.952 -4.817 1004 3HD1 LEU 126 3HD1 LEU 126 -11.443 11.897 -5.901 1005 1HD2 LEU 126 1HD2 LEU 126 -10.931 8.443 -4.517 1006 2HD2 LEU 126 2HD2 LEU 126 -10.834 8.291 -6.271 1007 3HD2 LEU 126 3HD2 LEU 126 -12.275 7.744 -5.420 1008 H TYR 127 H TYR 127 -14.109 8.188 -2.372 1009 HA TYR 127 HA TYR 127 -13.347 5.739 -3.539 1010 1HB TYR 127 2HB TYR 127 -12.747 6.241 -1.250 1011 2HB TYR 127 1HB TYR 127 -14.438 6.391 -0.789 1012 HD1 TYR 127 1HD TYR 127 -15.397 4.590 0.320 1013 HD2 TYR 127 2HD TYR 127 -12.137 3.864 -2.319 1014 HE1 TYR 127 1HE TYR 127 -15.432 2.212 0.941 1015 HE2 TYR 127 2HE TYR 127 -12.165 1.484 -1.708 1016 HH TYR 127 HH TYR 127 -14.725 0.082 0.109 1017 H ARG 128 H ARG 128 -16.402 6.582 -1.891 1018 HA ARG 128 HA ARG 128 -17.723 4.190 -2.593 1019 1HB ARG 128 2HB ARG 128 -18.777 6.879 -1.702 1020 2HB ARG 128 1HB ARG 128 -19.819 5.488 -1.974 1021 1HG ARG 128 2HG ARG 128 -18.590 4.233 -0.259 1022 2HG ARG 128 1HG ARG 128 -17.559 5.637 0.024 1023 1HD ARG 128 2HD ARG 128 -19.437 6.928 0.800 1024 2HD ARG 128 1HD ARG 128 -20.563 5.651 0.342 1025 HE ARG 128 HE ARG 128 -18.821 4.493 2.136 1026 1HH1 ARG 128 1HH1 ARG 128 -21.021 7.228 2.219 1027 2HH1 ARG 128 2HH1 ARG 128 -21.415 7.005 3.896 1028 1HH2 ARG 128 1HH2 ARG 128 -19.324 4.232 4.339 1029 2HH2 ARG 128 2HH2 ARG 128 -20.444 5.323 5.099 1030 H GLU 129 H GLU 129 -17.165 7.100 -4.366 1031 HA GLU 129 HA GLU 129 -19.305 6.876 -6.214 1032 1HB GLU 129 2HB GLU 129 -17.973 8.950 -5.876 1033 2HB GLU 129 1HB GLU 129 -16.590 8.162 -6.623 1034 1HG GLU 129 2HG GLU 129 -17.741 8.024 -8.736 1035 2HG GLU 129 1HG GLU 129 -19.227 8.633 -8.008 1036 H CYS 130 H CYS 130 -16.122 5.441 -5.998 1037 HA CYS 130 HA CYS 130 -16.138 4.271 -8.613 1038 1HB CYS 130 2HB CYS 130 -14.044 4.672 -7.337 1039 2HB CYS 130 1HB CYS 130 -14.546 3.471 -6.156 1040 HG CYS 130 HG CYS 130 -12.756 2.029 -7.495 1041 H LEU 131 H LEU 131 -16.835 3.097 -5.339 1042 HA LEU 131 HA LEU 131 -17.436 0.430 -6.041 1043 1HB LEU 131 2HB LEU 131 -18.184 2.142 -3.679 1044 2HB LEU 131 1HB LEU 131 -18.770 0.500 -3.828 1045 HG LEU 131 HG LEU 131 -16.407 -0.301 -3.872 1046 1HD1 LEU 131 1HD1 LEU 131 -15.333 1.730 -4.699 1047 2HD1 LEU 131 2HD1 LEU 131 -14.619 1.198 -3.177 1048 3HD1 LEU 131 3HD1 LEU 131 -15.737 2.563 -3.198 1049 1HD2 LEU 131 1HD2 LEU 131 -15.998 0.043 -1.483 1050 2HD2 LEU 131 2HD2 LEU 131 -17.693 -0.321 -1.805 1051 3HD2 LEU 131 3HD2 LEU 131 -17.197 1.337 -1.462 1052 H LEU 132 H LEU 132 -19.421 3.326 -5.857 1053 HA LEU 132 HA LEU 132 -21.823 1.776 -6.534 1054 1HB LEU 132 2HB LEU 132 -21.422 4.535 -5.383 1055 2HB LEU 132 1HB LEU 132 -22.969 4.022 -6.027 1056 HG LEU 132 HG LEU 132 -23.064 2.206 -4.352 1057 1HD1 LEU 132 1HD1 LEU 132 -20.524 3.419 -3.264 1058 2HD1 LEU 132 2HD1 LEU 132 -20.692 1.823 -3.996 1059 3HD1 LEU 132 3HD1 LEU 132 -21.500 2.181 -2.472 1060 1HD2 LEU 132 1HD2 LEU 132 -23.484 3.619 -2.407 1061 2HD2 LEU 132 2HD2 LEU 132 -24.111 4.359 -3.878 1062 3HD2 LEU 132 3HD2 LEU 132 -22.606 4.946 -3.168 1063 H ALA 133 H ALA 133 -19.574 2.646 -8.371 1064 HA ALA 133 HA ALA 133 -20.213 4.726 -10.056 1065 1HB ALA 133 1HB ALA 133 -19.023 2.069 -10.864 1066 2HB ALA 133 2HB ALA 133 -18.132 3.435 -10.194 1067 3HB ALA 133 3HB ALA 133 -18.909 3.578 -11.771 1068 H GLU 134 H GLU 134 -21.405 1.392 -10.195 1069 HA GLU 134 HA GLU 134 -23.618 2.346 -11.896 1070 1HB GLU 134 2HB GLU 134 -21.875 0.662 -12.909 1071 2HB GLU 134 1HB GLU 134 -22.704 -0.527 -11.919 1072 1HG GLU 134 2HG GLU 134 -23.988 1.188 -14.044 1073 2HG GLU 134 1HG GLU 134 -23.506 -0.493 -14.239 1074 H ALA 135 H ALA 135 -24.458 2.866 -9.744 1075 HA ALA 135 HA ALA 135 -26.393 1.018 -8.899 1076 1HB ALA 135 1HB ALA 135 -24.506 -0.158 -7.856 1077 2HB ALA 135 2HB ALA 135 -25.604 0.491 -6.638 1078 3HB ALA 135 3HB ALA 135 -24.077 1.308 -6.971 1079 H GLU 136 H GLU 136 -24.319 3.375 -7.221 1080 HA GLU 136 HA GLU 136 -24.742 5.222 -6.002 1081 1HB GLU 136 2HB GLU 136 -26.940 5.485 -8.053 1082 2HB GLU 136 1HB GLU 136 -26.653 6.708 -6.822 1083 1HG GLU 136 2HG GLU 136 -24.353 6.984 -7.667 1084 2HG GLU 136 1HG GLU 136 -24.696 5.805 -8.932 Start of MODEL 18 1 1H SER 1 1HT SER 1 -5.586 -10.293 -16.984 2 2H SER 1 2HT SER 1 -6.373 -11.525 -17.828 3 3H SER 1 3HT SER 1 -5.189 -10.597 -18.599 4 HA SER 1 HA SER 1 -4.391 -12.796 -17.997 5 1HB SER 1 2HB SER 1 -2.851 -10.845 -18.150 6 2HB SER 1 1HB SER 1 -3.078 -10.555 -16.427 7 HG SER 1 HG SER 1 -2.227 -13.083 -17.339 8 H MET 2 H MET 2 -4.829 -10.783 -15.069 9 HA MET 2 HA MET 2 -6.204 -12.694 -13.573 10 1HB MET 2 2HB MET 2 -4.473 -13.476 -12.004 11 2HB MET 2 1HB MET 2 -4.143 -14.022 -13.640 12 1HG MET 2 2HG MET 2 -2.471 -12.238 -13.888 13 2HG MET 2 1HG MET 2 -2.798 -11.717 -12.235 14 1HE MET 2 1HE MET 2 -1.257 -14.515 -14.529 15 2HE MET 2 2HE MET 2 -2.573 -15.366 -13.721 16 3HE MET 2 3HE MET 2 -0.900 -15.781 -13.353 17 H THR 3 H THR 3 -3.908 -10.032 -13.579 18 HA THR 3 HA THR 3 -4.767 -9.056 -10.992 19 HB THR 3 HB THR 3 -2.955 -7.657 -12.977 20 HG1 THR 3 1HG THR 3 -2.393 -9.694 -11.068 21 1HG2 THR 3 1HG2 THR 3 -3.717 -6.270 -11.095 22 2HG2 THR 3 2HG2 THR 3 -1.997 -6.630 -10.950 23 3HG2 THR 3 3HG2 THR 3 -3.167 -7.499 -9.957 24 H GLU 4 H GLU 4 -7.036 -9.086 -12.139 25 HA GLU 4 HA GLU 4 -7.575 -6.328 -13.014 26 1HB GLU 4 2HB GLU 4 -8.716 -8.864 -14.204 27 2HB GLU 4 1HB GLU 4 -9.428 -7.279 -14.459 28 1HG GLU 4 2HG GLU 4 -8.124 -7.155 -16.264 29 2HG GLU 4 1HG GLU 4 -6.805 -6.843 -15.141 30 H GLU 5 H GLU 5 -10.256 -6.331 -13.119 31 HA GLU 5 HA GLU 5 -12.151 -6.123 -11.913 32 1HB GLU 5 2HB GLU 5 -10.949 -8.319 -10.214 33 2HB GLU 5 1HB GLU 5 -12.535 -7.624 -9.914 34 1HG GLU 5 2HG GLU 5 -13.179 -8.314 -12.239 35 2HG GLU 5 1HG GLU 5 -11.647 -9.185 -12.329 36 H GLN 6 H GLN 6 -9.683 -6.728 -9.418 37 HA GLN 6 HA GLN 6 -8.966 -5.552 -7.635 38 1HB GLN 6 2HB GLN 6 -9.800 -3.265 -9.406 39 2HB GLN 6 1HB GLN 6 -9.236 -2.971 -7.768 40 1HG GLN 6 2HG GLN 6 -7.370 -2.682 -9.168 41 2HG GLN 6 1HG GLN 6 -7.145 -4.232 -8.365 42 1HE2 GLN 6 1HE2 GLN 6 -5.756 -5.006 -9.924 43 2HE2 GLN 6 2HE2 GLN 6 -6.269 -5.437 -11.515 44 HA PRO 7 HA PRO 7 -12.833 -5.388 -5.315 45 1HB PRO 7 2HB PRO 7 -11.731 -5.775 -2.872 46 2HB PRO 7 1HB PRO 7 -11.954 -7.099 -4.023 47 1HG PRO 7 2HG PRO 7 -9.482 -5.516 -3.413 48 2HG PRO 7 1HG PRO 7 -9.661 -7.266 -3.636 49 1HD PRO 7 2HD PRO 7 -8.743 -5.612 -5.599 50 2HD PRO 7 1HD PRO 7 -9.645 -7.104 -5.937 51 H VAL 8 H VAL 8 -12.618 -3.080 -6.133 52 HA VAL 8 HA VAL 8 -11.165 -1.096 -4.874 53 HB VAL 8 HB VAL 8 -12.699 0.521 -5.893 54 1HG1 VAL 8 1HG1 VAL 8 -10.990 -0.507 -7.299 55 2HG1 VAL 8 2HG1 VAL 8 -12.451 -0.190 -8.234 56 3HG1 VAL 8 3HG1 VAL 8 -12.088 -1.830 -7.696 57 1HG2 VAL 8 1HG2 VAL 8 -14.417 -1.890 -6.505 58 2HG2 VAL 8 2HG2 VAL 8 -14.657 -0.279 -7.180 59 3HG2 VAL 8 3HG2 VAL 8 -14.825 -0.540 -5.442 60 H ALA 9 H ALA 9 -14.416 -2.264 -4.068 61 HA ALA 9 HA ALA 9 -14.945 -0.175 -2.192 62 1HB ALA 9 1HB ALA 9 -16.920 -1.480 -1.585 63 2HB ALA 9 2HB ALA 9 -16.304 -2.856 -2.501 64 3HB ALA 9 3HB ALA 9 -16.751 -1.369 -3.337 65 H SER 10 H SER 10 -12.962 -2.872 -2.047 66 HA SER 10 HA SER 10 -13.327 -3.375 0.795 67 1HB SER 10 2HB SER 10 -11.366 -4.638 -1.140 68 2HB SER 10 1HB SER 10 -11.793 -5.226 0.469 69 HG SER 10 HG SER 10 -13.876 -5.647 -0.275 70 H TRP 11 H TRP 11 -11.579 -1.196 -1.067 71 HA TRP 11 HA TRP 11 -9.045 -1.177 0.142 72 1HB TRP 11 2HB TRP 11 -10.623 1.178 -0.929 73 2HB TRP 11 1HB TRP 11 -8.902 1.192 -0.564 74 HD1 TRP 11 HD TRP 11 -8.782 -1.933 -2.034 75 HE1 TRP 11 1HE TRP 11 -8.526 -1.888 -4.600 76 HE3 TRP 11 3HE TRP 11 -10.257 2.875 -2.900 77 HZ2 TRP 11 2HZ TRP 11 -8.895 -0.037 -6.707 78 HZ3 TRP 11 3HZ TRP 11 -10.284 3.715 -5.202 79 HH2 TRP 11 HH TRP 11 -9.613 2.289 -7.078 80 H ALA 12 H ALA 12 -12.078 0.379 1.072 81 HA ALA 12 HA ALA 12 -10.980 1.879 3.230 82 1HB ALA 12 1HB ALA 12 -13.042 2.539 2.087 83 2HB ALA 12 2HB ALA 12 -13.294 2.361 3.823 84 3HB ALA 12 3HB ALA 12 -13.853 1.105 2.717 85 H LEU 13 H LEU 13 -11.174 -1.366 3.000 86 HA LEU 13 HA LEU 13 -12.014 -1.846 5.755 87 1HB LEU 13 2HB LEU 13 -11.134 -3.783 3.605 88 2HB LEU 13 1HB LEU 13 -11.729 -4.232 5.195 89 HG LEU 13 HG LEU 13 -13.320 -2.836 3.028 90 1HD1 LEU 13 1HD1 LEU 13 -14.609 -4.914 2.952 91 2HD1 LEU 13 2HD1 LEU 13 -13.517 -5.639 4.133 92 3HD1 LEU 13 3HD1 LEU 13 -12.917 -5.186 2.538 93 1HD2 LEU 13 1HD2 LEU 13 -15.244 -3.123 4.524 94 2HD2 LEU 13 2HD2 LEU 13 -14.018 -2.075 5.235 95 3HD2 LEU 13 3HD2 LEU 13 -14.176 -3.746 5.780 96 H SER 14 H SER 14 -9.146 -1.381 3.911 97 HA SER 14 HA SER 14 -7.466 -1.408 6.176 98 1HB SER 14 2HB SER 14 -7.680 -3.836 6.048 99 2HB SER 14 1HB SER 14 -7.206 -3.820 4.351 100 HG SER 14 HG SER 14 -5.518 -4.345 5.930 101 H PHE 15 H PHE 15 -5.634 -0.320 5.766 102 HA PHE 15 HA PHE 15 -5.270 1.094 3.380 103 1HB PHE 15 2HB PHE 15 -4.348 1.789 5.578 104 2HB PHE 15 1HB PHE 15 -3.193 0.464 5.501 105 HD1 PHE 15 1HD PHE 15 -4.249 2.831 2.815 106 HD2 PHE 15 2HD PHE 15 -1.114 1.514 5.383 107 HE1 PHE 15 1HE PHE 15 -2.672 4.315 1.649 108 HE2 PHE 15 2HE PHE 15 0.463 2.998 4.218 109 HZ PHE 15 HZ PHE 15 -0.315 4.400 2.352 110 H GLU 16 H GLU 16 -3.730 -1.831 4.585 111 HA GLU 16 HA GLU 16 -1.926 -2.431 2.619 112 1HB GLU 16 2HB GLU 16 -2.327 -3.750 4.693 113 2HB GLU 16 1HB GLU 16 -3.808 -4.379 3.984 114 1HG GLU 16 2HG GLU 16 -2.432 -5.386 2.163 115 2HG GLU 16 1HG GLU 16 -0.988 -4.859 3.028 116 H ARG 17 H ARG 17 -5.437 -2.976 2.584 117 HA ARG 17 HA ARG 17 -5.480 -4.398 0.119 118 1HB ARG 17 2HB ARG 17 -7.272 -4.628 1.761 119 2HB ARG 17 1HB ARG 17 -7.682 -2.930 1.589 120 1HG ARG 17 2HG ARG 17 -9.268 -4.380 0.425 121 2HG ARG 17 1HG ARG 17 -8.429 -3.305 -0.691 122 1HD ARG 17 2HD ARG 17 -7.187 -5.961 -0.291 123 2HD ARG 17 1HD ARG 17 -8.756 -5.965 -1.093 124 HE ARG 17 HE ARG 17 -7.341 -4.034 -2.404 125 1HH1 ARG 17 1HH1 ARG 17 -6.769 -7.423 -1.709 126 2HH1 ARG 17 2HH1 ARG 17 -5.880 -7.700 -3.173 127 1HH2 ARG 17 1HH2 ARG 17 -6.253 -4.423 -4.370 128 2HH2 ARG 17 2HH2 ARG 17 -5.575 -5.992 -4.677 129 H LEU 18 H LEU 18 -5.838 -1.007 0.989 130 HA LEU 18 HA LEU 18 -6.516 -0.071 -1.625 131 1HB LEU 18 2HB LEU 18 -7.042 1.292 0.292 132 2HB LEU 18 1HB LEU 18 -5.368 1.295 0.815 133 HG LEU 18 HG LEU 18 -4.813 2.583 -1.294 134 1HD1 LEU 18 1HD1 LEU 18 -6.771 2.020 -2.609 135 2HD1 LEU 18 2HD1 LEU 18 -6.635 3.766 -2.415 136 3HD1 LEU 18 3HD1 LEU 18 -7.811 2.863 -1.459 137 1HD2 LEU 18 1HD2 LEU 18 -6.698 3.891 0.671 138 2HD2 LEU 18 2HD2 LEU 18 -5.575 4.729 -0.403 139 3HD2 LEU 18 3HD2 LEU 18 -4.956 3.681 0.873 140 H LEU 19 H LEU 19 -3.549 -0.587 0.136 141 HA LEU 19 HA LEU 19 -1.966 0.984 -1.704 142 1HB LEU 19 2HB LEU 19 -1.718 1.005 0.807 143 2HB LEU 19 1HB LEU 19 -1.067 -0.620 0.694 144 HG LEU 19 HG LEU 19 0.814 0.197 -0.610 145 1HD1 LEU 19 1HD1 LEU 19 1.168 2.616 -0.935 146 2HD1 LEU 19 2HD1 LEU 19 -0.440 2.927 -0.278 147 3HD1 LEU 19 3HD1 LEU 19 -0.261 2.036 -1.790 148 1HD2 LEU 19 1HD2 LEU 19 1.926 1.517 1.124 149 2HD2 LEU 19 2HD2 LEU 19 1.029 0.161 1.806 150 3HD2 LEU 19 3HD2 LEU 19 0.369 1.793 1.905 151 H GLN 20 H GLN 20 -2.675 -2.362 -1.090 152 HA GLN 20 HA GLN 20 -0.530 -3.298 -2.847 153 1HB GLN 20 2HB GLN 20 -2.620 -4.745 -1.200 154 2HB GLN 20 1HB GLN 20 -1.540 -5.576 -2.308 155 1HG GLN 20 2HG GLN 20 -0.625 -3.897 0.021 156 2HG GLN 20 1HG GLN 20 -0.816 -5.650 0.060 157 1HE2 GLN 20 1HE2 GLN 20 1.572 -4.002 0.432 158 2HE2 GLN 20 2HE2 GLN 20 2.716 -4.527 -0.752 159 H ASP 21 H ASP 21 -3.097 -1.715 -3.563 160 HA ASP 21 HA ASP 21 -4.195 -3.589 -5.555 161 1HB ASP 21 2HB ASP 21 -5.751 -2.554 -3.825 162 2HB ASP 21 1HB ASP 21 -5.464 -1.007 -4.615 163 HA PRO 22 HA PRO 22 -2.113 -1.231 -8.729 164 1HB PRO 22 2HB PRO 22 -4.406 -2.168 -10.396 165 2HB PRO 22 1HB PRO 22 -2.667 -2.311 -10.692 166 1HG PRO 22 2HG PRO 22 -4.078 -4.428 -9.917 167 2HG PRO 22 1HG PRO 22 -2.447 -4.146 -9.278 168 1HD PRO 22 2HD PRO 22 -5.105 -3.661 -7.976 169 2HD PRO 22 1HD PRO 22 -3.605 -4.304 -7.272 170 H LEU 23 H LEU 23 -5.695 -1.104 -8.738 171 HA LEU 23 HA LEU 23 -5.719 1.526 -9.912 172 1HB LEU 23 2HB LEU 23 -7.938 -0.110 -8.660 173 2HB LEU 23 1HB LEU 23 -8.177 1.409 -9.504 174 HG LEU 23 HG LEU 23 -7.156 -1.165 -10.726 175 1HD1 LEU 23 1HD1 LEU 23 -9.260 -1.134 -11.977 176 2HD1 LEU 23 2HD1 LEU 23 -9.772 0.302 -11.090 177 3HD1 LEU 23 3HD1 LEU 23 -9.542 -1.226 -10.238 178 1HD2 LEU 23 1HD2 LEU 23 -7.670 1.520 -12.015 179 2HD2 LEU 23 2HD2 LEU 23 -7.273 0.029 -12.869 180 3HD2 LEU 23 3HD2 LEU 23 -6.096 0.759 -11.778 181 H GLY 24 H GLY 24 -6.100 0.119 -6.731 182 1HA GLY 24 2HA GLY 24 -6.945 2.321 -5.262 183 2HA GLY 24 1HA GLY 24 -5.944 1.015 -4.637 184 H LEU 25 H LEU 25 -3.595 1.171 -5.551 185 HA LEU 25 HA LEU 25 -2.421 3.426 -4.373 186 1HB LEU 25 2HB LEU 25 -1.523 0.978 -5.191 187 2HB LEU 25 1HB LEU 25 -0.814 2.006 -6.418 188 HG LEU 25 HG LEU 25 -0.371 2.193 -3.431 189 1HD1 LEU 25 1HD1 LEU 25 0.807 0.350 -4.497 190 2HD1 LEU 25 2HD1 LEU 25 1.932 1.602 -3.972 191 3HD1 LEU 25 3HD1 LEU 25 1.504 1.461 -5.678 192 1HD2 LEU 25 1HD2 LEU 25 1.252 3.965 -3.937 193 2HD2 LEU 25 2HD2 LEU 25 -0.391 4.436 -4.368 194 3HD2 LEU 25 3HD2 LEU 25 0.743 3.944 -5.627 195 H ALA 26 H ALA 26 -3.362 2.756 -7.691 196 HA ALA 26 HA ALA 26 -1.890 4.773 -8.988 197 1HB ALA 26 1HB ALA 26 -3.468 4.509 -10.834 198 2HB ALA 26 2HB ALA 26 -4.564 3.613 -9.782 199 3HB ALA 26 3HB ALA 26 -2.985 2.940 -10.188 200 H TYR 27 H TYR 27 -5.308 4.810 -7.932 201 HA TYR 27 HA TYR 27 -5.572 7.615 -8.496 202 1HB TYR 27 2HB TYR 27 -7.381 5.599 -7.158 203 2HB TYR 27 1HB TYR 27 -7.809 7.304 -7.286 204 HD1 TYR 27 1HD TYR 27 -8.756 8.158 -9.269 205 HD2 TYR 27 2HD TYR 27 -6.933 4.311 -9.329 206 HE1 TYR 27 1HE TYR 27 -9.613 7.792 -11.541 207 HE2 TYR 27 2HE TYR 27 -7.793 3.933 -11.600 208 HH TYR 27 HH TYR 27 -9.560 4.733 -13.069 209 H PHE 28 H PHE 28 -4.710 5.694 -5.750 210 HA PHE 28 HA PHE 28 -5.101 7.626 -3.729 211 1HB PHE 28 2HB PHE 28 -4.778 5.271 -3.192 212 2HB PHE 28 1HB PHE 28 -3.161 5.302 -3.880 213 HD1 PHE 28 1HD PHE 28 -1.649 4.942 -2.178 214 HD2 PHE 28 2HD PHE 28 -4.905 7.608 -1.509 215 HE1 PHE 28 1HE PHE 28 -0.740 5.494 0.036 216 HE2 PHE 28 2HE PHE 28 -3.992 8.167 0.707 217 HZ PHE 28 HZ PHE 28 -1.910 7.108 1.482 218 H THR 29 H THR 29 -2.211 6.769 -5.651 219 HA THR 29 HA THR 29 -0.569 8.779 -4.496 220 HB THR 29 HB THR 29 0.358 6.770 -5.659 221 HG1 THR 29 1HG THR 29 1.150 9.398 -6.172 222 1HG2 THR 29 1HG2 THR 29 -0.458 8.225 -8.185 223 2HG2 THR 29 2HG2 THR 29 -1.146 6.712 -7.595 224 3HG2 THR 29 3HG2 THR 29 0.541 6.772 -8.105 225 H GLU 30 H GLU 30 -2.869 8.743 -7.107 226 HA GLU 30 HA GLU 30 -2.143 11.162 -8.378 227 1HB GLU 30 2HB GLU 30 -3.819 9.306 -9.109 228 2HB GLU 30 1HB GLU 30 -4.986 10.172 -8.127 229 1HG GLU 30 2HG GLU 30 -3.479 11.342 -10.463 230 2HG GLU 30 1HG GLU 30 -5.119 10.708 -10.531 231 H PHE 31 H PHE 31 -4.588 10.453 -5.888 232 HA PHE 31 HA PHE 31 -5.290 13.178 -5.465 233 1HB PHE 31 2HB PHE 31 -6.746 11.157 -4.998 234 2HB PHE 31 1HB PHE 31 -5.758 10.861 -3.572 235 HD1 PHE 31 1HD PHE 31 -6.148 12.050 -1.558 236 HD2 PHE 31 2HD PHE 31 -8.056 13.291 -5.160 237 HE1 PHE 31 1HE PHE 31 -7.577 13.588 -0.274 238 HE2 PHE 31 2HE PHE 31 -9.483 14.828 -3.879 239 HZ PHE 31 HZ PHE 31 -9.244 14.978 -1.431 240 H LEU 32 H LEU 32 -2.922 11.036 -4.111 241 HA LEU 32 HA LEU 32 -2.275 12.756 -1.864 242 1HB LEU 32 2HB LEU 32 -2.199 10.381 -1.527 243 2HB LEU 32 1HB LEU 32 -1.152 10.151 -2.908 244 HG LEU 32 HG LEU 32 0.704 11.173 -1.709 245 1HD1 LEU 32 1HD1 LEU 32 0.563 11.811 0.615 246 2HD1 LEU 32 2HD1 LEU 32 -1.172 11.474 0.628 247 3HD1 LEU 32 3HD1 LEU 32 -0.530 12.789 -0.362 248 1HD2 LEU 32 1HD2 LEU 32 -0.689 9.047 -0.083 249 2HD2 LEU 32 2HD2 LEU 32 1.026 9.455 0.001 250 3HD2 LEU 32 3HD2 LEU 32 0.355 8.776 -1.479 251 H LYS 33 H LYS 33 -1.784 13.245 -4.967 252 HA LYS 33 HA LYS 33 0.966 14.261 -4.618 253 1HB LYS 33 2HB LYS 33 0.602 12.695 -6.516 254 2HB LYS 33 1HB LYS 33 -0.570 13.818 -7.192 255 1HG LYS 33 2HG LYS 33 1.184 15.502 -7.462 256 2HG LYS 33 1HG LYS 33 2.364 14.397 -6.754 257 1HD LYS 33 2HD LYS 33 0.793 13.883 -9.286 258 2HD LYS 33 1HD LYS 33 2.462 14.450 -9.227 259 1HE LYS 33 2HE LYS 33 3.151 12.397 -8.121 260 2HE LYS 33 1HE LYS 33 1.479 11.836 -8.064 261 1HZ LYS 33 1HZ LYS 33 1.454 11.802 -10.480 262 2HZ LYS 33 2HZ LYS 33 2.685 10.812 -9.877 263 3HZ LYS 33 3HZ LYS 33 3.062 12.324 -10.532 264 H LYS 34 H LYS 34 -2.170 15.239 -4.397 265 HA LYS 34 HA LYS 34 -2.082 17.643 -5.956 266 1HB LYS 34 2HB LYS 34 -4.056 16.814 -3.813 267 2HB LYS 34 1HB LYS 34 -4.273 18.130 -4.967 268 1HG LYS 34 2HG LYS 34 -4.058 16.414 -6.802 269 2HG LYS 34 1HG LYS 34 -4.132 15.175 -5.548 270 1HD LYS 34 2HD LYS 34 -6.336 16.050 -4.852 271 2HD LYS 34 1HD LYS 34 -6.259 17.234 -6.161 272 1HE LYS 34 2HE LYS 34 -6.355 14.226 -6.421 273 2HE LYS 34 1HE LYS 34 -7.609 15.376 -6.879 274 1HZ LYS 34 1HZ LYS 34 -4.923 15.175 -8.130 275 2HZ LYS 34 2HZ LYS 34 -6.143 16.252 -8.580 276 3HZ LYS 34 3HZ LYS 34 -6.362 14.587 -8.791 277 H GLU 35 H GLU 35 -1.829 16.925 -2.474 278 HA GLU 35 HA GLU 35 -0.988 19.666 -1.928 279 1HB GLU 35 2HB GLU 35 -0.904 19.066 0.376 280 2HB GLU 35 1HB GLU 35 -2.338 18.289 -0.273 281 1HG GLU 35 2HG GLU 35 0.302 16.998 0.400 282 2HG GLU 35 1HG GLU 35 -1.249 16.762 1.205 283 H PHE 36 H PHE 36 0.294 16.873 -3.104 284 HA PHE 36 HA PHE 36 2.313 16.325 -3.903 285 1HB PHE 36 2HB PHE 36 2.617 18.771 -4.324 286 2HB PHE 36 1HB PHE 36 3.375 18.912 -2.741 287 HD1 PHE 36 1HD PHE 36 5.666 18.402 -2.451 288 HD2 PHE 36 2HD PHE 36 3.689 17.280 -6.056 289 HE1 PHE 36 1HE PHE 36 7.828 17.779 -3.441 290 HE2 PHE 36 2HE PHE 36 5.852 16.658 -7.048 291 HZ PHE 36 HZ PHE 36 7.925 16.907 -5.741 292 H SER 37 H SER 37 1.957 14.694 -2.152 293 HA SER 37 HA SER 37 4.543 14.533 -0.803 294 1HB SER 37 2HB SER 37 3.451 13.642 1.284 295 2HB SER 37 1HB SER 37 3.154 15.352 0.986 296 HG SER 37 HG SER 37 1.144 14.473 -0.115 297 H ALA 38 H ALA 38 2.663 13.274 -2.992 298 HA ALA 38 HA ALA 38 1.993 10.670 -2.400 299 1HB ALA 38 1HB ALA 38 2.016 10.244 -4.795 300 2HB ALA 38 2HB ALA 38 2.967 11.706 -5.060 301 3HB ALA 38 3HB ALA 38 1.317 11.825 -4.450 302 H GLU 39 H GLU 39 5.141 11.952 -2.922 303 HA GLU 39 HA GLU 39 6.316 9.606 -4.002 304 1HB GLU 39 2HB GLU 39 7.482 12.116 -2.829 305 2HB GLU 39 1HB GLU 39 8.500 10.786 -3.374 306 1HG GLU 39 2HG GLU 39 7.371 10.945 -5.608 307 2HG GLU 39 1HG GLU 39 6.553 12.393 -5.029 308 H ASN 40 H ASN 40 5.329 10.298 -0.859 309 HA ASN 40 HA ASN 40 7.252 8.781 0.568 310 1HB ASN 40 2HB ASN 40 5.823 8.871 2.434 311 2HB ASN 40 1HB ASN 40 5.462 10.353 1.561 312 1HD2 ASN 40 1HD2 ASN 40 3.441 10.595 0.604 313 2HD2 ASN 40 2HD2 ASN 40 2.125 9.532 0.942 314 H VAL 41 H VAL 41 4.178 7.921 -1.002 315 HA VAL 41 HA VAL 41 4.465 5.132 -0.312 316 HB VAL 41 HB VAL 41 2.487 4.713 -1.662 317 1HG1 VAL 41 1HG1 VAL 41 0.877 6.119 -0.451 318 2HG1 VAL 41 2HG1 VAL 41 2.190 7.181 0.054 319 3HG1 VAL 41 3HG1 VAL 41 2.147 5.507 0.607 320 1HG2 VAL 41 1HG2 VAL 41 2.609 7.627 -2.462 321 2HG2 VAL 41 2HG2 VAL 41 1.320 6.493 -2.866 322 3HG2 VAL 41 3HG2 VAL 41 2.941 6.253 -3.516 323 H THR 42 H THR 42 5.499 7.217 -2.848 324 HA THR 42 HA THR 42 6.088 5.235 -4.787 325 HB THR 42 HB THR 42 7.569 7.841 -4.335 326 HG1 THR 42 1HG THR 42 5.853 8.201 -6.240 327 1HG2 THR 42 1HG2 THR 42 7.168 6.157 -6.822 328 2HG2 THR 42 2HG2 THR 42 8.672 6.322 -5.915 329 3HG2 THR 42 3HG2 THR 42 7.993 7.713 -6.760 330 H PHE 43 H PHE 43 7.903 6.655 -2.096 331 HA PHE 43 HA PHE 43 10.282 5.199 -2.315 332 1HB PHE 43 2HB PHE 43 10.012 7.085 -0.766 333 2HB PHE 43 1HB PHE 43 8.823 6.183 0.162 334 HD1 PHE 43 1HD PHE 43 9.501 4.456 1.718 335 HD2 PHE 43 2HD PHE 43 12.390 6.544 -0.617 336 HE1 PHE 43 1HE PHE 43 11.290 3.592 3.166 337 HE2 PHE 43 2HE PHE 43 14.184 5.678 0.828 338 HZ PHE 43 HZ PHE 43 13.636 4.201 2.720 339 H TRP 44 H TRP 44 7.233 4.456 -0.696 340 HA TRP 44 HA TRP 44 7.916 2.004 0.455 341 1HB TRP 44 2HB TRP 44 5.891 3.225 1.065 342 2HB TRP 44 1HB TRP 44 5.234 3.003 -0.551 343 HD1 TRP 44 HD TRP 44 5.848 1.093 2.718 344 HE1 TRP 44 1HE TRP 44 4.449 -1.070 2.682 345 HE3 TRP 44 3HE TRP 44 4.148 1.309 -2.097 346 HZ2 TRP 44 2HZ TRP 44 2.833 -2.487 0.853 347 HZ3 TRP 44 3HZ TRP 44 2.681 -0.485 -2.913 348 HH2 TRP 44 HH TRP 44 2.037 -2.345 -1.467 349 H LYS 45 H LYS 45 6.153 2.576 -2.611 350 HA LYS 45 HA LYS 45 5.991 -0.125 -3.350 351 1HB LYS 45 2HB LYS 45 5.329 0.646 -5.555 352 2HB LYS 45 1HB LYS 45 4.571 1.660 -4.334 353 1HG LYS 45 2HG LYS 45 6.219 3.407 -4.732 354 2HG LYS 45 1HG LYS 45 7.044 2.384 -5.904 355 1HD LYS 45 2HD LYS 45 5.676 3.997 -7.070 356 2HD LYS 45 1HD LYS 45 5.000 2.385 -7.299 357 1HE LYS 45 2HE LYS 45 3.304 2.825 -5.617 358 2HE LYS 45 1HE LYS 45 4.013 4.404 -5.277 359 1HZ LYS 45 1HZ LYS 45 2.892 3.594 -7.904 360 2HZ LYS 45 2HZ LYS 45 3.450 5.129 -7.480 361 3HZ LYS 45 3HZ LYS 45 2.057 4.502 -6.752 362 H ALA 46 H ALA 46 8.419 2.339 -4.052 363 HA ALA 46 HA ALA 46 9.911 0.900 -5.953 364 1HB ALA 46 1HB ALA 46 10.212 3.306 -5.578 365 2HB ALA 46 2HB ALA 46 11.741 2.440 -5.431 366 3HB ALA 46 3HB ALA 46 10.890 2.976 -3.983 367 H CYS 47 H CYS 47 10.079 1.054 -2.429 368 HA CYS 47 HA CYS 47 12.374 -0.592 -2.161 369 1HB CYS 47 2HB CYS 47 11.741 0.908 -0.369 370 2HB CYS 47 1HB CYS 47 10.181 0.108 -0.196 371 HG CYS 47 HG CYS 47 11.239 -2.279 0.758 372 H GLU 48 H GLU 48 8.878 -1.263 -2.097 373 HA GLU 48 HA GLU 48 9.211 -3.985 -1.322 374 1HB GLU 48 2HB GLU 48 7.116 -2.708 -0.938 375 2HB GLU 48 1HB GLU 48 6.814 -2.719 -2.672 376 1HG GLU 48 2HG GLU 48 6.574 -5.096 -2.692 377 2HG GLU 48 1HG GLU 48 7.128 -5.221 -1.024 378 H ARG 49 H ARG 49 9.178 -2.321 -4.378 379 HA ARG 49 HA ARG 49 9.186 -4.784 -5.908 380 1HB ARG 49 2HB ARG 49 8.188 -2.615 -6.739 381 2HB ARG 49 1HB ARG 49 9.819 -1.974 -6.861 382 1HG ARG 49 2HG ARG 49 9.171 -4.522 -8.281 383 2HG ARG 49 1HG ARG 49 8.579 -3.000 -8.947 384 1HD ARG 49 2HD ARG 49 11.470 -3.607 -8.305 385 2HD ARG 49 1HD ARG 49 10.746 -3.697 -9.911 386 HE ARG 49 HE ARG 49 10.167 -1.175 -9.136 387 1HH1 ARG 49 1HH1 ARG 49 13.162 -2.989 -9.270 388 2HH1 ARG 49 2HH1 ARG 49 14.139 -1.579 -9.544 389 1HH2 ARG 49 1HH2 ARG 49 11.453 0.659 -9.520 390 2HH2 ARG 49 2HH2 ARG 49 13.177 0.482 -9.685 391 H PHE 50 H PHE 50 11.426 -2.683 -4.365 392 HA PHE 50 HA PHE 50 13.783 -3.451 -5.767 393 1HB PHE 50 2HB PHE 50 13.682 -1.375 -4.482 394 2HB PHE 50 1HB PHE 50 13.399 -2.276 -2.999 395 HD1 PHE 50 1HD PHE 50 15.198 -2.929 -1.662 396 HD2 PHE 50 2HD PHE 50 15.910 -1.771 -5.701 397 HE1 PHE 50 1HE PHE 50 17.620 -2.996 -1.253 398 HE2 PHE 50 2HE PHE 50 18.334 -1.845 -5.294 399 HZ PHE 50 HZ PHE 50 19.193 -2.456 -3.070 400 H GLN 51 H GLN 51 12.160 -4.619 -2.838 401 HA GLN 51 HA GLN 51 14.215 -6.486 -2.161 402 1HB GLN 51 2HB GLN 51 12.664 -7.345 -0.493 403 2HB GLN 51 1HB GLN 51 12.672 -5.589 -0.467 404 1HG GLN 51 2HG GLN 51 10.570 -5.531 -1.681 405 2HG GLN 51 1HG GLN 51 10.571 -7.291 -1.803 406 1HE2 GLN 51 1HE2 GLN 51 8.611 -5.511 -0.584 407 2HE2 GLN 51 2HE2 GLN 51 8.461 -6.009 1.061 408 H GLN 52 H GLN 52 12.122 -6.475 -4.700 409 HA GLN 52 HA GLN 52 11.489 -9.271 -4.833 410 1HB GLN 52 2HB GLN 52 11.486 -7.136 -6.986 411 2HB GLN 52 1HB GLN 52 10.840 -8.761 -7.177 412 1HG GLN 52 2HG GLN 52 9.838 -6.695 -5.223 413 2HG GLN 52 1HG GLN 52 9.083 -7.107 -6.761 414 1HE2 GLN 52 1HE2 GLN 52 8.077 -7.268 -4.004 415 2HE2 GLN 52 2HE2 GLN 52 7.575 -8.909 -3.786 416 H ILE 53 H ILE 53 14.223 -7.343 -5.501 417 HA ILE 53 HA ILE 53 15.480 -8.968 -7.469 418 HB ILE 53 HB ILE 53 16.760 -7.087 -5.462 419 1HG1 ILE 53 2HG1 ILE 53 15.915 -6.548 -8.328 420 2HG1 ILE 53 1HG1 ILE 53 15.033 -6.004 -6.906 421 1HG2 ILE 53 1HG2 ILE 53 18.630 -6.992 -7.066 422 2HG2 ILE 53 2HG2 ILE 53 17.827 -8.209 -8.058 423 3HG2 ILE 53 3HG2 ILE 53 18.382 -8.620 -6.436 424 1HD1 ILE 53 1HD1 ILE 53 17.826 -5.184 -7.679 425 2HD1 ILE 53 2HD1 ILE 53 16.955 -4.642 -6.243 426 3HD1 ILE 53 3HD1 ILE 53 16.365 -4.211 -7.848 427 HA PRO 54 HA PRO 54 16.262 -12.387 -4.699 428 1HB PRO 54 2HB PRO 54 18.019 -13.413 -6.841 429 2HB PRO 54 1HB PRO 54 16.548 -14.113 -6.161 430 1HG PRO 54 2HG PRO 54 16.582 -13.064 -8.629 431 2HG PRO 54 1HG PRO 54 15.162 -12.910 -7.575 432 1HD PRO 54 2HD PRO 54 17.314 -10.896 -8.159 433 2HD PRO 54 1HD PRO 54 15.553 -10.666 -8.079 434 H ALA 55 H ALA 55 18.251 -9.966 -4.934 435 HA ALA 55 HA ALA 55 20.073 -9.344 -3.747 436 1HB ALA 55 1HB ALA 55 20.249 -12.209 -2.815 437 2HB ALA 55 2HB ALA 55 19.334 -10.927 -2.021 438 3HB ALA 55 3HB ALA 55 21.092 -10.825 -2.120 439 H SER 56 H SER 56 20.327 -12.197 -5.759 440 HA SER 56 HA SER 56 23.011 -12.624 -5.956 441 1HB SER 56 2HB SER 56 21.074 -12.699 -8.280 442 2HB SER 56 1HB SER 56 22.570 -13.620 -8.119 443 HG SER 56 HG SER 56 20.789 -14.900 -7.574 444 H ASP 57 H ASP 57 21.122 -10.277 -7.883 445 HA ASP 57 HA ASP 57 23.562 -9.364 -9.174 446 1HB ASP 57 2HB ASP 57 21.186 -9.651 -10.271 447 2HB ASP 57 1HB ASP 57 20.897 -8.046 -9.603 448 H THR 58 H THR 58 24.729 -8.336 -7.610 449 HA THR 58 HA THR 58 23.594 -6.528 -5.723 450 HB THR 58 HB THR 58 26.513 -6.797 -6.485 451 HG1 THR 58 1HG THR 58 24.791 -8.432 -4.977 452 1HG2 THR 58 1HG2 THR 58 25.167 -5.905 -3.921 453 2HG2 THR 58 2HG2 THR 58 26.020 -4.861 -5.059 454 3HG2 THR 58 3HG2 THR 58 26.905 -6.090 -4.154 455 H GLN 59 H GLN 59 24.967 -6.210 -8.902 456 HA GLN 59 HA GLN 59 25.488 -3.434 -8.889 457 1HB GLN 59 2HB GLN 59 24.746 -5.263 -11.188 458 2HB GLN 59 1HB GLN 59 25.376 -3.631 -11.366 459 1HG GLN 59 2HG GLN 59 27.455 -4.309 -10.268 460 2HG GLN 59 1HG GLN 59 26.824 -5.946 -10.085 461 1HE2 GLN 59 1HE2 GLN 59 28.468 -6.848 -11.298 462 2HE2 GLN 59 2HE2 GLN 59 28.568 -6.660 -13.014 463 H GLN 60 H GLN 60 22.661 -5.293 -10.010 464 HA GLN 60 HA GLN 60 21.034 -3.119 -10.698 465 1HB GLN 60 2HB GLN 60 20.500 -5.427 -11.337 466 2HB GLN 60 1HB GLN 60 20.229 -5.847 -9.653 467 1HG GLN 60 2HG GLN 60 18.320 -4.332 -9.563 468 2HG GLN 60 1HG GLN 60 18.603 -3.862 -11.238 469 1HE2 GLN 60 1HE2 GLN 60 16.530 -4.557 -11.832 470 2HE2 GLN 60 2HE2 GLN 60 16.133 -6.234 -11.974 471 H LEU 61 H LEU 61 21.490 -4.819 -7.628 472 HA LEU 61 HA LEU 61 19.634 -3.465 -6.055 473 1HB LEU 61 2HB LEU 61 22.366 -4.550 -5.357 474 2HB LEU 61 1HB LEU 61 21.269 -3.901 -4.156 475 HG LEU 61 HG LEU 61 20.666 -6.283 -5.923 476 1HD1 LEU 61 1HD1 LEU 61 20.966 -7.615 -3.885 477 2HD1 LEU 61 2HD1 LEU 61 21.492 -6.170 -3.020 478 3HD1 LEU 61 3HD1 LEU 61 22.456 -6.798 -4.356 479 1HD2 LEU 61 1HD2 LEU 61 18.667 -5.055 -5.223 480 2HD2 LEU 61 2HD2 LEU 61 19.186 -5.157 -3.541 481 3HD2 LEU 61 3HD2 LEU 61 18.767 -6.624 -4.426 482 H ALA 62 H ALA 62 23.014 -2.612 -6.766 483 HA ALA 62 HA ALA 62 23.095 -0.265 -5.213 484 1HB ALA 62 1HB ALA 62 25.117 0.283 -6.472 485 2HB ALA 62 2HB ALA 62 24.723 -0.961 -7.661 486 3HB ALA 62 3HB ALA 62 25.105 -1.417 -6.001 487 H GLN 63 H GLN 63 22.221 -0.811 -8.599 488 HA GLN 63 HA GLN 63 22.066 1.897 -9.373 489 1HB GLN 63 2HB GLN 63 20.630 -0.531 -10.473 490 2HB GLN 63 1HB GLN 63 20.628 1.052 -11.242 491 1HG GLN 63 2HG GLN 63 23.081 0.923 -11.457 492 2HG GLN 63 1HG GLN 63 23.040 -0.690 -10.746 493 1HE2 GLN 63 1HE2 GLN 63 23.958 0.193 -13.378 494 2HE2 GLN 63 2HE2 GLN 63 23.044 -0.715 -14.533 495 H GLU 64 H GLU 64 19.511 -0.364 -8.346 496 HA GLU 64 HA GLU 64 17.445 1.588 -8.489 497 1HB GLU 64 2HB GLU 64 17.511 -1.092 -7.074 498 2HB GLU 64 1HB GLU 64 16.066 -0.119 -7.327 499 1HG GLU 64 2HG GLU 64 17.790 -1.355 -9.470 500 2HG GLU 64 1HG GLU 64 16.194 -1.903 -8.960 501 H ALA 65 H ALA 65 19.490 0.384 -5.879 502 HA ALA 65 HA ALA 65 18.180 1.653 -3.732 503 1HB ALA 65 1HB ALA 65 19.853 -0.108 -3.407 504 2HB ALA 65 2HB ALA 65 20.272 1.345 -2.500 505 3HB ALA 65 3HB ALA 65 21.112 0.973 -4.006 506 H ARG 66 H ARG 66 20.870 2.712 -5.797 507 HA ARG 66 HA ARG 66 21.284 5.199 -4.525 508 1HB ARG 66 2HB ARG 66 22.918 4.111 -6.070 509 2HB ARG 66 1HB ARG 66 21.851 4.484 -7.417 510 1HG ARG 66 2HG ARG 66 22.118 6.873 -6.990 511 2HG ARG 66 1HG ARG 66 23.155 6.517 -5.608 512 1HD ARG 66 2HD ARG 66 24.550 7.097 -7.469 513 2HD ARG 66 1HD ARG 66 24.729 5.369 -7.162 514 HE ARG 66 HE ARG 66 22.797 5.450 -9.053 515 1HH1 ARG 66 1HH1 ARG 66 25.977 6.891 -8.852 516 2HH1 ARG 66 2HH1 ARG 66 26.241 6.865 -10.566 517 1HH2 ARG 66 1HH2 ARG 66 23.148 5.386 -11.307 518 2HH2 ARG 66 2HH2 ARG 66 24.625 6.019 -11.962 519 H ASN 67 H ASN 67 19.196 4.168 -7.158 520 HA ASN 67 HA ASN 67 18.207 6.625 -8.024 521 1HB ASN 67 2HB ASN 67 17.674 4.547 -9.190 522 2HB ASN 67 1HB ASN 67 16.791 3.948 -7.790 523 1HD2 ASN 67 1HD2 ASN 67 14.774 4.862 -7.290 524 2HD2 ASN 67 2HD2 ASN 67 13.873 5.784 -8.441 525 H ILE 68 H ILE 68 16.763 4.431 -5.616 526 HA ILE 68 HA ILE 68 14.732 6.089 -4.685 527 HB ILE 68 HB ILE 68 16.326 4.036 -3.121 528 1HG1 ILE 68 2HG1 ILE 68 13.709 3.749 -4.631 529 2HG1 ILE 68 1HG1 ILE 68 15.268 3.133 -5.167 530 1HG2 ILE 68 1HG2 ILE 68 13.607 5.211 -2.528 531 2HG2 ILE 68 2HG2 ILE 68 15.092 5.507 -1.622 532 3HG2 ILE 68 3HG2 ILE 68 14.376 3.896 -1.639 533 1HD1 ILE 68 1HD1 ILE 68 13.762 2.252 -2.711 534 2HD1 ILE 68 2HD1 ILE 68 15.341 1.650 -3.216 535 3HD1 ILE 68 3HD1 ILE 68 13.925 1.360 -4.224 536 H TYR 69 H TYR 69 18.066 5.754 -3.579 537 HA TYR 69 HA TYR 69 18.031 7.407 -1.355 538 1HB TYR 69 2HB TYR 69 19.926 5.966 -1.910 539 2HB TYR 69 1HB TYR 69 20.268 6.924 -3.344 540 HD1 TYR 69 1HD TYR 69 20.593 6.732 0.292 541 HD2 TYR 69 2HD TYR 69 21.275 9.166 -3.136 542 HE1 TYR 69 1HE TYR 69 22.105 8.156 1.606 543 HE2 TYR 69 2HE TYR 69 22.781 10.597 -1.832 544 HH TYR 69 HH TYR 69 23.151 11.182 0.575 545 H GLN 70 H GLN 70 18.890 8.287 -4.711 546 HA GLN 70 HA GLN 70 19.459 10.982 -3.996 547 1HB GLN 70 2HB GLN 70 19.250 9.553 -6.633 548 2HB GLN 70 1HB GLN 70 19.500 11.294 -6.555 549 1HG GLN 70 2HG GLN 70 21.540 10.936 -5.236 550 2HG GLN 70 1HG GLN 70 21.300 9.194 -5.345 551 1HE2 GLN 70 1HE2 GLN 70 23.306 8.952 -6.377 552 2HE2 GLN 70 2HE2 GLN 70 23.537 9.395 -8.030 553 H GLU 71 H GLU 71 16.523 9.388 -4.873 554 HA GLU 71 HA GLU 71 15.255 11.836 -5.774 555 1HB GLU 71 2HB GLU 71 14.093 9.090 -5.265 556 2HB GLU 71 1HB GLU 71 13.196 10.452 -5.923 557 1HG GLU 71 2HG GLU 71 14.937 10.502 -7.781 558 2HG GLU 71 1HG GLU 71 15.455 8.926 -7.184 559 H PHE 72 H PHE 72 15.066 9.722 -2.909 560 HA PHE 72 HA PHE 72 13.099 11.601 -1.758 561 1HB PHE 72 2HB PHE 72 13.601 8.750 -0.887 562 2HB PHE 72 1HB PHE 72 12.230 9.775 -0.475 563 HD1 PHE 72 1HD PHE 72 13.473 7.298 -2.703 564 HD2 PHE 72 2HD PHE 72 10.705 10.526 -2.428 565 HE1 PHE 72 1HE PHE 72 12.243 6.401 -4.634 566 HE2 PHE 72 2HE PHE 72 9.471 9.628 -4.359 567 HZ PHE 72 HZ PHE 72 10.238 7.567 -5.464 568 H LEU 73 H LEU 73 16.343 10.606 -1.381 569 HA LEU 73 HA LEU 73 16.348 11.476 1.440 570 1HB LEU 73 2HB LEU 73 17.723 9.022 0.331 571 2HB LEU 73 1HB LEU 73 17.900 9.623 1.972 572 HG LEU 73 HG LEU 73 15.260 8.722 0.800 573 1HD1 LEU 73 1HD1 LEU 73 16.825 6.847 0.863 574 2HD1 LEU 73 2HD1 LEU 73 15.549 6.662 2.064 575 3HD1 LEU 73 3HD1 LEU 73 17.160 7.179 2.564 576 1HD2 LEU 73 1HD2 LEU 73 15.059 10.278 2.670 577 2HD2 LEU 73 2HD2 LEU 73 16.120 9.262 3.647 578 3HD2 LEU 73 3HD2 LEU 73 14.541 8.659 3.141 579 H SER 74 H SER 74 17.450 12.401 -1.403 580 HA SER 74 HA SER 74 20.259 12.715 -0.648 581 1HB SER 74 2HB SER 74 19.747 12.025 -2.963 582 2HB SER 74 1HB SER 74 18.877 13.535 -3.214 583 HG SER 74 HG SER 74 20.714 14.462 -3.592 584 H SER 75 H SER 75 20.047 14.151 1.053 585 HA SER 75 HA SER 75 19.960 16.142 2.120 586 1HB SER 75 2HB SER 75 20.687 17.221 -0.616 587 2HB SER 75 1HB SER 75 20.972 18.016 0.933 588 HG SER 75 HG SER 75 22.403 16.050 -0.315 589 H GLN 76 H GLN 76 18.902 17.556 -0.950 590 HA GLN 76 HA GLN 76 16.679 18.847 0.359 591 1HB GLN 76 2HB GLN 76 17.557 18.817 -2.543 592 2HB GLN 76 1HB GLN 76 16.258 19.815 -1.903 593 1HG GLN 76 2HG GLN 76 19.144 19.965 -1.041 594 2HG GLN 76 1HG GLN 76 18.372 21.046 -2.199 595 1HE2 GLN 76 1HE2 GLN 76 19.639 21.671 0.346 596 2HE2 GLN 76 2HE2 GLN 76 18.433 22.463 1.300 597 H ALA 77 H ALA 77 17.065 16.530 -2.305 598 HA ALA 77 HA ALA 77 15.742 14.925 -3.185 599 1HB ALA 77 1HB ALA 77 14.281 15.088 -0.546 600 2HB ALA 77 2HB ALA 77 15.676 14.067 -0.896 601 3HB ALA 77 3HB ALA 77 14.145 13.784 -1.727 602 H LEU 78 H LEU 78 13.557 14.467 -4.029 603 HA LEU 78 HA LEU 78 12.206 16.869 -4.842 604 1HB LEU 78 2HB LEU 78 11.551 13.943 -5.266 605 2HB LEU 78 1HB LEU 78 10.599 15.255 -5.931 606 HG LEU 78 HG LEU 78 12.626 16.015 -7.195 607 1HD1 LEU 78 1HD1 LEU 78 13.799 13.389 -6.273 608 2HD1 LEU 78 2HD1 LEU 78 14.358 14.997 -5.813 609 3HD1 LEU 78 3HD1 LEU 78 14.492 14.466 -7.487 610 1HD2 LEU 78 1HD2 LEU 78 10.890 14.695 -8.276 611 2HD2 LEU 78 2HD2 LEU 78 11.674 13.204 -7.754 612 3HD2 LEU 78 3HD2 LEU 78 12.480 14.269 -8.907 613 H SER 79 H SER 79 11.518 14.136 -2.739 614 HA SER 79 HA SER 79 9.885 15.830 -1.043 615 1HB SER 79 2HB SER 79 8.796 13.252 -2.219 616 2HB SER 79 1HB SER 79 8.046 14.152 -0.902 617 HG SER 79 HG SER 79 8.425 14.981 -3.586 618 HA PRO 80 HA PRO 80 12.781 13.186 1.309 619 1HB PRO 80 2HB PRO 80 12.915 14.873 3.463 620 2HB PRO 80 1HB PRO 80 13.911 15.059 2.014 621 1HG PRO 80 2HG PRO 80 11.379 16.477 2.767 622 2HG PRO 80 1HG PRO 80 12.863 17.138 2.054 623 1HD PRO 80 2HD PRO 80 10.666 16.616 0.570 624 2HD PRO 80 1HD PRO 80 12.308 16.421 -0.080 625 H VAL 81 H VAL 81 11.613 11.464 1.955 626 HA VAL 81 HA VAL 81 9.200 11.532 3.402 627 HB VAL 81 HB VAL 81 9.752 9.111 3.984 628 1HG1 VAL 81 1HG1 VAL 81 9.891 9.881 1.063 629 2HG1 VAL 81 2HG1 VAL 81 8.416 9.760 2.021 630 3HG1 VAL 81 3HG1 VAL 81 9.384 8.318 1.714 631 1HG2 VAL 81 1HG2 VAL 81 11.636 8.078 2.816 632 2HG2 VAL 81 2HG2 VAL 81 12.199 9.323 3.931 633 3HG2 VAL 81 3HG2 VAL 81 12.133 9.655 2.198 634 H ASN 82 H ASN 82 8.749 11.700 5.495 635 HA ASN 82 HA ASN 82 10.846 12.494 7.302 636 1HB ASN 82 2HB ASN 82 7.840 12.410 7.488 637 2HB ASN 82 1HB ASN 82 8.821 12.701 8.922 638 1HD2 ASN 82 1HD2 ASN 82 6.923 14.406 7.336 639 2HD2 ASN 82 2HD2 ASN 82 7.819 15.851 7.018 640 H ILE 83 H ILE 83 11.898 10.401 7.196 641 HA ILE 83 HA ILE 83 10.850 8.541 9.244 642 HB ILE 83 HB ILE 83 12.194 6.763 8.188 643 1HG1 ILE 83 2HG1 ILE 83 12.836 8.878 6.101 644 2HG1 ILE 83 1HG1 ILE 83 13.980 8.162 7.228 645 1HG2 ILE 83 1HG2 ILE 83 10.367 8.142 6.214 646 2HG2 ILE 83 2HG2 ILE 83 9.864 7.037 7.495 647 3HG2 ILE 83 3HG2 ILE 83 10.858 6.447 6.162 648 1HD1 ILE 83 1HD1 ILE 83 14.224 7.230 5.005 649 2HD1 ILE 83 2HD1 ILE 83 12.538 6.715 5.015 650 3HD1 ILE 83 3HD1 ILE 83 13.687 5.994 6.142 651 H ASP 84 H ASP 84 13.040 7.225 10.045 652 HA ASP 84 HA ASP 84 14.558 9.195 11.441 653 1HB ASP 84 2HB ASP 84 15.082 6.216 11.180 654 2HB ASP 84 1HB ASP 84 15.890 7.295 12.308 655 H ARG 85 H ARG 85 15.432 10.475 9.793 656 HA ARG 85 HA ARG 85 17.247 9.312 7.851 657 1HB ARG 85 2HB ARG 85 16.641 12.222 8.429 658 2HB ARG 85 1HB ARG 85 17.474 11.595 7.013 659 1HG ARG 85 2HG ARG 85 15.439 10.474 6.284 660 2HG ARG 85 1HG ARG 85 14.600 11.019 7.737 661 1HD ARG 85 2HD ARG 85 15.701 12.756 5.523 662 2HD ARG 85 1HD ARG 85 14.001 12.442 5.870 663 HE ARG 85 HE ARG 85 15.580 13.681 7.990 664 1HH1 ARG 85 1HH1 ARG 85 13.243 14.114 5.410 665 2HH1 ARG 85 2HH1 ARG 85 12.753 15.687 5.949 666 1HH2 ARG 85 1HH2 ARG 85 14.923 15.737 8.703 667 2HH2 ARG 85 2HH2 ARG 85 13.706 16.607 7.821 668 H GLN 86 H GLN 86 17.360 11.028 10.871 669 HA GLN 86 HA GLN 86 19.997 11.942 10.877 670 1HB GLN 86 2HB GLN 86 18.254 12.564 12.541 671 2HB GLN 86 1HB GLN 86 18.366 10.953 13.234 672 1HG GLN 86 2HG GLN 86 19.591 12.544 14.580 673 2HG GLN 86 1HG GLN 86 20.700 11.383 13.850 674 1HE2 GLN 86 1HE2 GLN 86 22.455 12.760 14.045 675 2HE2 GLN 86 2HE2 GLN 86 22.650 14.165 13.058 676 H ALA 87 H ALA 87 18.638 8.885 12.048 677 HA ALA 87 HA ALA 87 21.347 7.777 12.350 678 1HB ALA 87 1HB ALA 87 18.693 6.720 13.335 679 2HB ALA 87 2HB ALA 87 19.864 7.627 14.296 680 3HB ALA 87 3HB ALA 87 20.279 6.027 13.679 681 H TRP 88 H TRP 88 19.745 8.137 9.773 682 HA TRP 88 HA TRP 88 18.933 5.538 8.946 683 1HB TRP 88 2HB TRP 88 18.137 7.720 7.926 684 2HB TRP 88 1HB TRP 88 19.699 7.831 7.118 685 HD1 TRP 88 HD TRP 88 16.782 5.275 7.356 686 HE1 TRP 88 1HE TRP 88 16.550 4.116 5.071 687 HE3 TRP 88 3HE TRP 88 20.638 7.548 4.896 688 HZ2 TRP 88 2HZ TRP 88 17.818 4.173 2.552 689 HZ3 TRP 88 3HZ TRP 88 21.055 6.948 2.545 690 HH2 TRP 88 HH TRP 88 19.675 5.294 1.399 691 H LEU 89 H LEU 89 19.932 4.406 7.065 692 HA LEU 89 HA LEU 89 22.421 3.400 7.701 693 1HB LEU 89 2HB LEU 89 21.155 3.469 4.956 694 2HB LEU 89 1HB LEU 89 22.375 2.333 5.505 695 HG LEU 89 HG LEU 89 19.572 2.525 6.632 696 1HD1 LEU 89 1HD1 LEU 89 19.533 1.737 4.327 697 2HD1 LEU 89 2HD1 LEU 89 19.144 0.432 5.446 698 3HD1 LEU 89 3HD1 LEU 89 20.746 0.516 4.711 699 1HD2 LEU 89 1HD2 LEU 89 21.191 1.686 8.249 700 2HD2 LEU 89 2HD2 LEU 89 21.759 0.492 7.082 701 3HD2 LEU 89 3HD2 LEU 89 20.115 0.397 7.714 702 H GLY 90 H GLY 90 21.778 5.337 4.788 703 1HA GLY 90 2HA GLY 90 22.877 7.342 4.206 704 2HA GLY 90 1HA GLY 90 24.151 6.956 5.347 705 H GLU 91 H GLU 91 25.893 7.080 4.122 706 HA GLU 91 HA GLU 91 26.072 6.607 1.380 707 1HB GLU 91 2HB GLU 91 27.582 8.045 2.710 708 2HB GLU 91 1HB GLU 91 28.275 6.611 3.453 709 1HG GLU 91 2HG GLU 91 29.026 5.879 1.197 710 2HG GLU 91 1HG GLU 91 28.453 7.420 0.557 711 H GLU 92 H GLU 92 26.211 4.370 4.002 712 HA GLU 92 HA GLU 92 27.887 2.390 2.902 713 1HB GLU 92 2HB GLU 92 26.813 0.874 4.548 714 2HB GLU 92 1HB GLU 92 27.342 2.388 5.267 715 1HG GLU 92 2HG GLU 92 25.047 3.236 5.191 716 2HG GLU 92 1HG GLU 92 24.511 1.720 4.468 717 H VAL 93 H VAL 93 24.571 3.242 2.399 718 HA VAL 93 HA VAL 93 23.621 0.840 1.287 719 HB VAL 93 HB VAL 93 22.715 3.676 0.723 720 1HG1 VAL 93 1HG1 VAL 93 20.585 2.654 0.034 721 2HG1 VAL 93 2HG1 VAL 93 21.302 1.053 0.222 722 3HG1 VAL 93 3HG1 VAL 93 21.924 2.160 -1.003 723 1HG2 VAL 93 1HG2 VAL 93 22.596 3.120 3.096 724 2HG2 VAL 93 2HG2 VAL 93 21.684 1.657 2.722 725 3HG2 VAL 93 3HG2 VAL 93 20.980 3.242 2.401 726 H LEU 94 H LEU 94 25.287 3.605 -0.074 727 HA LEU 94 HA LEU 94 24.861 2.912 -2.809 728 1HB LEU 94 2HB LEU 94 26.840 4.794 -1.510 729 2HB LEU 94 1HB LEU 94 26.627 4.640 -3.244 730 HG LEU 94 HG LEU 94 25.445 6.589 -2.594 731 1HD1 LEU 94 1HD1 LEU 94 23.139 6.086 -3.188 732 2HD1 LEU 94 2HD1 LEU 94 23.426 4.369 -2.899 733 3HD1 LEU 94 3HD1 LEU 94 24.268 5.198 -4.209 734 1HD2 LEU 94 1HD2 LEU 94 23.734 6.641 -0.848 735 2HD2 LEU 94 2HD2 LEU 94 25.306 6.184 -0.195 736 3HD2 LEU 94 3HD2 LEU 94 24.070 4.953 -0.459 737 H ALA 95 H ALA 95 27.110 1.979 -0.388 738 HA ALA 95 HA ALA 95 29.119 1.013 -2.222 739 1HB ALA 95 1HB ALA 95 29.758 1.833 -0.002 740 2HB ALA 95 2HB ALA 95 30.239 0.151 -0.232 741 3HB ALA 95 3HB ALA 95 28.823 0.538 0.746 742 H GLU 96 H GLU 96 27.408 -0.767 0.348 743 HA GLU 96 HA GLU 96 27.106 -3.031 -1.524 744 1HB GLU 96 2HB GLU 96 27.782 -3.198 1.426 745 2HB GLU 96 1HB GLU 96 27.574 -4.559 0.333 746 1HG GLU 96 2HG GLU 96 29.725 -2.461 0.094 747 2HG GLU 96 1HG GLU 96 29.936 -4.047 0.828 748 HA PRO 97 HA PRO 97 22.945 -2.223 0.200 749 1HB PRO 97 2HB PRO 97 21.579 -2.290 -2.098 750 2HB PRO 97 1HB PRO 97 22.555 -0.880 -1.662 751 1HG PRO 97 2HG PRO 97 23.176 -3.099 -3.571 752 2HG PRO 97 1HG PRO 97 23.507 -1.364 -3.721 753 1HD PRO 97 2HD PRO 97 25.348 -3.289 -2.899 754 2HD PRO 97 1HD PRO 97 25.493 -1.544 -2.612 755 H ARG 98 H ARG 98 20.928 -3.525 0.022 756 HA ARG 98 HA ARG 98 21.169 -6.228 -1.025 757 1HB ARG 98 2HB ARG 98 20.572 -7.275 1.129 758 2HB ARG 98 1HB ARG 98 22.120 -6.447 1.230 759 1HG ARG 98 2HG ARG 98 20.936 -4.514 2.276 760 2HG ARG 98 1HG ARG 98 19.473 -5.490 2.303 761 1HD ARG 98 2HD ARG 98 20.348 -6.991 3.868 762 2HD ARG 98 1HD ARG 98 22.011 -6.496 3.553 763 HE ARG 98 HE ARG 98 21.476 -4.382 4.681 764 1HH1 ARG 98 1HH1 ARG 98 19.453 -7.168 5.342 765 2HH1 ARG 98 2HH1 ARG 98 18.890 -6.552 6.860 766 1HH2 ARG 98 1HH2 ARG 98 20.754 -3.585 6.687 767 2HH2 ARG 98 2HH2 ARG 98 19.640 -4.522 7.633 768 HA PRO 99 HA PRO 99 16.913 -5.612 -1.949 769 1HB PRO 99 2HB PRO 99 15.806 -8.075 -1.359 770 2HB PRO 99 1HB PRO 99 16.707 -7.715 -2.834 771 1HG PRO 99 2HG PRO 99 17.646 -9.031 -0.312 772 2HG PRO 99 1HG PRO 99 17.987 -9.467 -1.999 773 1HD PRO 99 2HD PRO 99 19.785 -8.141 -0.519 774 2HD PRO 99 1HD PRO 99 19.573 -7.779 -2.244 775 H ASP 100 H ASP 100 17.714 -6.930 1.205 776 HA ASP 100 HA ASP 100 15.149 -5.943 2.284 777 1HB ASP 100 2HB ASP 100 15.668 -8.355 2.693 778 2HB ASP 100 1HB ASP 100 17.115 -7.868 3.571 779 H MET 101 H MET 101 16.201 -3.815 1.973 780 HA MET 101 HA MET 101 18.019 -3.174 4.213 781 1HB MET 101 2HB MET 101 18.940 -3.250 1.744 782 2HB MET 101 1HB MET 101 18.153 -1.686 1.606 783 1HG MET 101 2HG MET 101 19.513 -0.779 3.357 784 2HG MET 101 1HG MET 101 20.199 -2.366 3.707 785 1HE MET 101 1HE MET 101 23.348 -0.716 2.212 786 2HE MET 101 2HE MET 101 22.711 -1.779 3.467 787 3HE MET 101 3HE MET 101 22.195 -0.094 3.391 788 H PHE 102 H PHE 102 15.859 -1.692 1.791 789 HA PHE 102 HA PHE 102 15.342 0.564 3.529 790 1HB PHE 102 2HB PHE 102 14.073 -0.136 0.869 791 2HB PHE 102 1HB PHE 102 13.976 1.416 1.696 792 HD1 PHE 102 1HD PHE 102 16.379 2.436 2.306 793 HD2 PHE 102 2HD PHE 102 15.594 -0.315 -0.853 794 HE1 PHE 102 1HE PHE 102 18.419 3.180 1.152 795 HE2 PHE 102 2HE PHE 102 17.633 0.430 -2.009 796 HZ PHE 102 HZ PHE 102 19.045 2.177 -1.009 797 H ARG 103 H ARG 103 14.054 -2.521 3.093 798 HA ARG 103 HA ARG 103 11.318 -2.228 3.200 799 1HB ARG 103 2HB ARG 103 12.449 -4.353 2.775 800 2HB ARG 103 1HB ARG 103 13.023 -4.408 4.432 801 1HG ARG 103 2HG ARG 103 10.078 -4.261 3.991 802 2HG ARG 103 1HG ARG 103 10.898 -5.778 3.620 803 1HD ARG 103 2HD ARG 103 10.877 -4.318 6.267 804 2HD ARG 103 1HD ARG 103 10.098 -5.858 5.895 805 HE ARG 103 HE ARG 103 12.792 -6.181 5.333 806 1HH1 ARG 103 1HH1 ARG 103 10.796 -5.591 8.156 807 2HH1 ARG 103 2HH1 ARG 103 11.953 -6.275 9.257 808 1HH2 ARG 103 1HH2 ARG 103 14.314 -7.044 6.772 809 2HH2 ARG 103 2HH2 ARG 103 13.960 -7.083 8.475 810 H ALA 104 H ALA 104 13.626 -1.952 5.831 811 HA ALA 104 HA ALA 104 11.824 -2.043 7.993 812 1HB ALA 104 1HB ALA 104 13.577 -0.896 9.269 813 2HB ALA 104 2HB ALA 104 14.429 -0.523 7.768 814 3HB ALA 104 3HB ALA 104 14.249 -2.199 8.287 815 H GLN 105 H GLN 105 13.111 0.728 6.167 816 HA GLN 105 HA GLN 105 11.471 2.647 7.534 817 1HB GLN 105 2HB GLN 105 13.079 2.895 4.975 818 2HB GLN 105 1HB GLN 105 12.307 4.236 5.807 819 1HG GLN 105 2HG GLN 105 14.589 4.305 6.399 820 2HG GLN 105 1HG GLN 105 13.732 3.687 7.808 821 1HE2 GLN 105 1HE2 GLN 105 14.460 1.773 4.949 822 2HE2 GLN 105 2HE2 GLN 105 15.611 0.731 5.713 823 H GLN 106 H GLN 106 11.186 0.649 4.753 824 HA GLN 106 HA GLN 106 9.232 1.884 3.222 825 1HB GLN 106 2HB GLN 106 10.463 -0.165 2.591 826 2HB GLN 106 1HB GLN 106 9.592 -1.063 3.823 827 1HG GLN 106 2HG GLN 106 7.472 -0.380 2.544 828 2HG GLN 106 1HG GLN 106 8.574 0.044 1.230 829 1HE2 GLN 106 1HE2 GLN 106 7.126 -2.519 3.035 830 2HE2 GLN 106 2HE2 GLN 106 7.710 -3.821 2.064 831 H LEU 107 H LEU 107 8.820 -0.513 5.815 832 HA LEU 107 HA LEU 107 5.992 -0.395 5.810 833 1HB LEU 107 2HB LEU 107 7.368 -2.310 6.648 834 2HB LEU 107 1HB LEU 107 7.803 -1.335 8.040 835 HG LEU 107 HG LEU 107 5.383 -1.217 8.655 836 1HD1 LEU 107 1HD1 LEU 107 3.817 -2.776 7.611 837 2HD1 LEU 107 2HD1 LEU 107 5.049 -3.228 6.431 838 3HD1 LEU 107 3HD1 LEU 107 4.412 -1.583 6.456 839 1HD2 LEU 107 1HD2 LEU 107 6.855 -2.846 9.711 840 2HD2 LEU 107 2HD2 LEU 107 6.543 -3.997 8.410 841 3HD2 LEU 107 3HD2 LEU 107 5.238 -3.515 9.496 842 H GLN 108 H GLN 108 8.441 1.533 7.337 843 HA GLN 108 HA GLN 108 6.832 2.603 9.416 844 1HB GLN 108 2HB GLN 108 9.372 2.720 9.267 845 2HB GLN 108 1HB GLN 108 9.166 4.013 8.089 846 1HG GLN 108 2HG GLN 108 9.587 4.995 10.220 847 2HG GLN 108 1HG GLN 108 7.906 5.302 9.797 848 1HE2 GLN 108 1HE2 GLN 108 9.193 5.308 12.401 849 2HE2 GLN 108 2HE2 GLN 108 8.339 4.160 13.371 850 H ILE 109 H ILE 109 7.498 3.591 6.080 851 HA ILE 109 HA ILE 109 5.893 5.919 6.062 852 HB ILE 109 HB ILE 109 6.702 4.023 3.847 853 1HG1 ILE 109 2HG1 ILE 109 8.520 5.373 4.800 854 2HG1 ILE 109 1HG1 ILE 109 8.168 5.885 3.157 855 1HG2 ILE 109 1HG2 ILE 109 5.171 6.612 3.571 856 2HG2 ILE 109 2HG2 ILE 109 4.578 4.993 3.198 857 3HG2 ILE 109 3HG2 ILE 109 5.879 5.696 2.239 858 1HD1 ILE 109 1HD1 ILE 109 8.572 7.787 4.595 859 2HD1 ILE 109 2HD1 ILE 109 7.274 7.276 5.673 860 3HD1 ILE 109 3HD1 ILE 109 6.904 7.789 4.026 861 H PHE 110 H PHE 110 5.206 2.528 5.339 862 HA PHE 110 HA PHE 110 2.541 2.668 4.595 863 1HB PHE 110 2HB PHE 110 3.897 0.596 4.545 864 2HB PHE 110 1HB PHE 110 3.892 0.547 6.300 865 HD1 PHE 110 1HD PHE 110 2.059 -0.211 3.275 866 HD2 PHE 110 2HD PHE 110 1.774 0.037 7.518 867 HE1 PHE 110 1HE PHE 110 0.014 -1.575 3.215 868 HE2 PHE 110 2HE PHE 110 -0.272 -1.328 7.460 869 HZ PHE 110 HZ PHE 110 -1.154 -2.136 5.308 870 H ASN 111 H ASN 111 3.902 2.309 7.853 871 HA ASN 111 HA ASN 111 1.469 2.309 9.259 872 1HB ASN 111 2HB ASN 111 4.259 3.076 10.159 873 2HB ASN 111 1HB ASN 111 2.892 2.887 11.252 874 1HD2 ASN 111 1HD2 ASN 111 5.438 1.427 11.084 875 2HD2 ASN 111 2HD2 ASN 111 5.006 -0.238 10.922 876 H LEU 112 H LEU 112 3.591 4.915 8.234 877 HA LEU 112 HA LEU 112 2.595 6.989 9.811 878 1HB LEU 112 2HB LEU 112 4.668 7.110 8.490 879 2HB LEU 112 1HB LEU 112 3.727 7.127 7.011 880 HG LEU 112 HG LEU 112 2.739 9.300 7.679 881 1HD1 LEU 112 1HD1 LEU 112 4.676 9.141 9.990 882 2HD1 LEU 112 2HD1 LEU 112 2.917 9.070 10.100 883 3HD1 LEU 112 3HD1 LEU 112 3.706 10.548 9.549 884 1HD2 LEU 112 1HD2 LEU 112 5.760 9.261 7.652 885 2HD2 LEU 112 2HD2 LEU 112 4.739 10.653 7.289 886 3HD2 LEU 112 3HD2 LEU 112 4.712 9.240 6.234 887 H MET 113 H MET 113 1.630 6.028 6.508 888 HA MET 113 HA MET 113 -0.528 7.992 6.545 889 1HB MET 113 2HB MET 113 0.256 6.037 4.373 890 2HB MET 113 1HB MET 113 -0.908 7.342 4.218 891 1HG MET 113 2HG MET 113 2.045 7.649 4.733 892 2HG MET 113 1HG MET 113 1.200 7.981 3.219 893 1HE MET 113 1HE MET 113 2.332 10.416 3.191 894 2HE MET 113 2HE MET 113 3.136 10.091 4.728 895 3HE MET 113 3HE MET 113 2.196 11.569 4.518 896 H LYS 114 H LYS 114 -0.133 4.877 7.584 897 HA LYS 114 HA LYS 114 -2.416 3.520 6.709 898 1HB LYS 114 2HB LYS 114 -0.465 2.498 7.869 899 2HB LYS 114 1HB LYS 114 -0.997 3.237 9.370 900 1HG LYS 114 2HG LYS 114 -3.009 1.897 9.367 901 2HG LYS 114 1HG LYS 114 -2.598 1.229 7.785 902 1HD LYS 114 2HD LYS 114 -0.559 0.231 8.756 903 2HD LYS 114 1HD LYS 114 -1.010 0.869 10.337 904 1HE LYS 114 2HE LYS 114 -3.006 -0.500 10.368 905 2HE LYS 114 1HE LYS 114 -2.687 -1.059 8.728 906 1HZ LYS 114 1HZ LYS 114 -0.695 -2.154 9.506 907 2HZ LYS 114 2HZ LYS 114 -2.025 -2.685 10.403 908 3HZ LYS 114 3HZ LYS 114 -0.941 -1.574 11.075 909 H PHE 115 H PHE 115 -2.092 6.095 8.974 910 HA PHE 115 HA PHE 115 -4.911 5.742 9.775 911 1HB PHE 115 2HB PHE 115 -4.334 6.835 11.929 912 2HB PHE 115 1HB PHE 115 -3.496 5.307 11.697 913 HD1 PHE 115 1HD PHE 115 -1.106 5.213 11.530 914 HD2 PHE 115 2HD PHE 115 -3.099 8.973 11.764 915 HE1 PHE 115 1HE PHE 115 1.043 6.324 11.976 916 HE2 PHE 115 2HE PHE 115 -0.950 10.087 12.206 917 HZ PHE 115 HZ PHE 115 1.123 8.762 12.315 918 H ASP 116 H ASP 116 -3.513 7.374 7.574 919 HA ASP 116 HA ASP 116 -4.707 9.957 8.247 920 1HB ASP 116 2HB ASP 116 -2.379 10.224 8.940 921 2HB ASP 116 1HB ASP 116 -1.821 9.669 7.363 922 H SER 117 H SER 117 -2.438 9.255 5.611 923 HA SER 117 HA SER 117 -4.108 10.329 3.647 924 1HB SER 117 2HB SER 117 -1.803 8.387 3.335 925 2HB SER 117 1HB SER 117 -2.550 9.284 2.012 926 HG SER 117 HG SER 117 -1.097 10.309 4.226 927 H TYR 118 H TYR 118 -3.710 7.013 4.790 928 HA TYR 118 HA TYR 118 -5.403 5.657 3.069 929 1HB TYR 118 2HB TYR 118 -4.270 4.419 4.773 930 2HB TYR 118 1HB TYR 118 -4.998 5.381 6.053 931 HD1 TYR 118 1HD TYR 118 -6.490 4.165 7.325 932 HD2 TYR 118 2HD TYR 118 -6.331 3.420 3.134 933 HE1 TYR 118 1HE TYR 118 -8.294 2.515 7.556 934 HE2 TYR 118 2HE TYR 118 -8.136 1.764 3.359 935 HH TYR 118 HH TYR 118 -10.018 1.461 6.174 936 H ALA 119 H ALA 119 -6.318 7.320 6.095 937 HA ALA 119 HA ALA 119 -9.105 6.974 5.786 938 1HB ALA 119 1HB ALA 119 -8.067 7.542 7.935 939 2HB ALA 119 2HB ALA 119 -9.334 8.695 7.515 940 3HB ALA 119 3HB ALA 119 -7.639 9.135 7.311 941 H ARG 120 H ARG 120 -6.897 9.453 4.729 942 HA ARG 120 HA ARG 120 -8.603 11.468 3.895 943 1HB ARG 120 2HB ARG 120 -6.182 11.721 4.002 944 2HB ARG 120 1HB ARG 120 -5.966 10.511 2.752 945 1HG ARG 120 2HG ARG 120 -5.569 12.619 1.761 946 2HG ARG 120 1HG ARG 120 -7.131 12.063 1.165 947 1HD ARG 120 2HD ARG 120 -7.115 13.780 3.593 948 2HD ARG 120 1HD ARG 120 -6.735 14.543 2.051 949 HE ARG 120 HE ARG 120 -8.974 13.266 1.420 950 1HH1 ARG 120 1HH1 ARG 120 -8.237 15.089 4.311 951 2HH1 ARG 120 2HH1 ARG 120 -9.832 15.761 4.451 952 1HH2 ARG 120 1HH2 ARG 120 -11.078 14.140 1.591 953 2HH2 ARG 120 2HH2 ARG 120 -11.451 15.230 2.895 954 H PHE 121 H PHE 121 -7.174 8.931 1.835 955 HA PHE 121 HA PHE 121 -8.571 9.732 -0.474 956 1HB PHE 121 2HB PHE 121 -6.491 8.438 -0.591 957 2HB PHE 121 1HB PHE 121 -7.302 7.050 0.129 958 HD1 PHE 121 1HD PHE 121 -8.335 5.465 -1.244 959 HD2 PHE 121 2HD PHE 121 -7.453 9.327 -2.814 960 HE1 PHE 121 1HE PHE 121 -9.021 4.711 -3.482 961 HE2 PHE 121 2HE PHE 121 -8.136 8.575 -5.053 962 HZ PHE 121 HZ PHE 121 -8.921 6.265 -5.389 963 H VAL 122 H VAL 122 -9.217 7.075 1.817 964 HA VAL 122 HA VAL 122 -11.373 6.007 0.306 965 HB VAL 122 HB VAL 122 -11.894 4.635 2.242 966 1HG1 VAL 122 1HG1 VAL 122 -8.912 4.911 1.837 967 2HG1 VAL 122 2HG1 VAL 122 -10.016 3.964 0.839 968 3HG1 VAL 122 3HG1 VAL 122 -9.733 3.507 2.519 969 1HG2 VAL 122 1HG2 VAL 122 -11.656 6.303 4.009 970 2HG2 VAL 122 2HG2 VAL 122 -9.912 6.342 3.759 971 3HG2 VAL 122 3HG2 VAL 122 -10.681 4.876 4.368 972 H LYS 123 H LYS 123 -11.191 8.788 2.267 973 HA LYS 123 HA LYS 123 -14.119 8.834 2.623 974 1HB LYS 123 2HB LYS 123 -11.916 10.446 3.916 975 2HB LYS 123 1HB LYS 123 -13.617 10.835 4.101 976 1HG LYS 123 2HG LYS 123 -13.958 8.533 5.041 977 2HG LYS 123 1HG LYS 123 -12.203 8.336 5.019 978 1HD LYS 123 2HD LYS 123 -13.747 10.449 6.543 979 2HD LYS 123 1HD LYS 123 -12.973 9.023 7.235 980 1HE LYS 123 2HE LYS 123 -10.786 9.851 6.545 981 2HE LYS 123 1HE LYS 123 -11.539 11.255 5.790 982 1HZ LYS 123 1HZ LYS 123 -10.645 11.784 7.968 983 2HZ LYS 123 2HZ LYS 123 -11.627 10.604 8.683 984 3HZ LYS 123 3HZ LYS 123 -12.329 11.958 7.954 985 H SER 124 H SER 124 -11.701 9.963 0.595 986 HA SER 124 HA SER 124 -13.091 12.453 -0.091 987 1HB SER 124 2HB SER 124 -10.408 11.355 -0.993 988 2HB SER 124 1HB SER 124 -11.049 12.950 -1.395 989 HG SER 124 HG SER 124 -10.747 12.077 1.276 990 HA PRO 125 HA PRO 125 -14.748 11.153 -4.063 991 1HB PRO 125 2HB PRO 125 -12.822 12.988 -5.429 992 2HB PRO 125 1HB PRO 125 -14.579 12.867 -5.600 993 1HG PRO 125 2HG PRO 125 -13.503 14.867 -4.225 994 2HG PRO 125 1HG PRO 125 -14.980 14.070 -3.651 995 1HD PRO 125 2HD PRO 125 -12.166 13.770 -2.678 996 2HD PRO 125 1HD PRO 125 -13.680 13.809 -1.752 997 H LEU 126 H LEU 126 -13.941 10.571 -6.396 998 HA LEU 126 HA LEU 126 -12.755 9.251 -7.792 999 1HB LEU 126 2HB LEU 126 -10.545 9.535 -5.753 1000 2HB LEU 126 1HB LEU 126 -10.374 8.657 -7.263 1001 HG LEU 126 HG LEU 126 -11.078 11.587 -7.088 1002 1HD1 LEU 126 1HD1 LEU 126 -8.763 12.014 -7.789 1003 2HD1 LEU 126 2HD1 LEU 126 -8.407 10.290 -7.663 1004 3HD1 LEU 126 3HD1 LEU 126 -8.824 11.213 -6.219 1005 1HD2 LEU 126 1HD2 LEU 126 -11.864 10.508 -9.126 1006 2HD2 LEU 126 2HD2 LEU 126 -10.252 9.859 -9.425 1007 3HD2 LEU 126 3HD2 LEU 126 -10.526 11.601 -9.478 1008 H TYR 127 H TYR 127 -12.458 8.334 -4.376 1009 HA TYR 127 HA TYR 127 -12.104 5.614 -4.656 1010 1HB TYR 127 2HB TYR 127 -12.009 6.776 -2.488 1011 2HB TYR 127 1HB TYR 127 -13.747 7.047 -2.547 1012 HD1 TYR 127 1HD TYR 127 -12.188 3.874 -3.611 1013 HD2 TYR 127 2HD TYR 127 -14.221 5.905 -0.469 1014 HE1 TYR 127 1HE TYR 127 -12.542 1.733 -2.466 1015 HE2 TYR 127 2HE TYR 127 -14.575 3.765 0.688 1016 HH TYR 127 HH TYR 127 -14.670 1.370 0.161 1017 H ARG 128 H ARG 128 -15.280 7.239 -4.195 1018 HA ARG 128 HA ARG 128 -16.663 4.804 -4.715 1019 1HB ARG 128 2HB ARG 128 -18.729 6.105 -4.550 1020 2HB ARG 128 1HB ARG 128 -17.643 6.426 -3.213 1021 1HG ARG 128 2HG ARG 128 -18.422 8.528 -3.687 1022 2HG ARG 128 1HG ARG 128 -16.931 8.497 -4.627 1023 1HD ARG 128 2HD ARG 128 -18.083 8.242 -6.656 1024 2HD ARG 128 1HD ARG 128 -19.566 7.720 -5.854 1025 HE ARG 128 HE ARG 128 -19.234 10.236 -4.932 1026 1HH1 ARG 128 1HH1 ARG 128 -19.216 8.921 -8.173 1027 2HH1 ARG 128 2HH1 ARG 128 -19.938 10.327 -8.886 1028 1HH2 ARG 128 1HH2 ARG 128 -20.204 12.083 -5.856 1029 2HH2 ARG 128 2HH2 ARG 128 -20.511 12.123 -7.564 1030 H GLU 129 H GLU 129 -15.536 7.399 -6.748 1031 HA GLU 129 HA GLU 129 -17.146 6.798 -9.005 1032 1HB GLU 129 2HB GLU 129 -14.389 8.036 -8.796 1033 2HB GLU 129 1HB GLU 129 -15.233 7.836 -10.325 1034 1HG GLU 129 2HG GLU 129 -15.841 9.972 -9.863 1035 2HG GLU 129 1HG GLU 129 -17.151 9.134 -9.038 1036 H CYS 130 H CYS 130 -14.229 5.377 -7.676 1037 HA CYS 130 HA CYS 130 -13.771 3.630 -9.914 1038 1HB CYS 130 2HB CYS 130 -12.680 3.542 -7.087 1039 2HB CYS 130 1HB CYS 130 -12.121 2.533 -8.419 1040 HG CYS 130 HG CYS 130 -11.483 5.768 -7.765 1041 H LEU 131 H LEU 131 -15.663 3.526 -6.987 1042 HA LEU 131 HA LEU 131 -16.137 0.766 -6.826 1043 1HB LEU 131 2HB LEU 131 -17.565 3.197 -5.878 1044 2HB LEU 131 1HB LEU 131 -18.494 1.712 -5.942 1045 HG LEU 131 HG LEU 131 -16.922 0.621 -4.425 1046 1HD1 LEU 131 1HD1 LEU 131 -15.460 3.256 -4.377 1047 2HD1 LEU 131 2HD1 LEU 131 -14.875 1.751 -5.088 1048 3HD1 LEU 131 3HD1 LEU 131 -15.124 1.865 -3.347 1049 1HD2 LEU 131 1HD2 LEU 131 -17.414 1.902 -2.402 1050 2HD2 LEU 131 2HD2 LEU 131 -18.816 1.835 -3.469 1051 3HD2 LEU 131 3HD2 LEU 131 -17.843 3.305 -3.384 1052 H LEU 132 H LEU 132 -17.776 3.298 -8.664 1053 HA LEU 132 HA LEU 132 -19.019 3.240 -10.568 1054 1HB LEU 132 2HB LEU 132 -17.157 1.444 -11.099 1055 2HB LEU 132 1HB LEU 132 -18.475 0.305 -10.938 1056 HG LEU 132 HG LEU 132 -18.318 2.569 -12.944 1057 1HD1 LEU 132 1HD1 LEU 132 -18.134 0.780 -14.603 1058 2HD1 LEU 132 2HD1 LEU 132 -18.098 -0.417 -13.307 1059 3HD1 LEU 132 3HD1 LEU 132 -16.791 0.757 -13.461 1060 1HD2 LEU 132 1HD2 LEU 132 -20.443 0.448 -12.609 1061 2HD2 LEU 132 2HD2 LEU 132 -20.338 1.604 -13.938 1062 3HD2 LEU 132 3HD2 LEU 132 -20.635 2.175 -12.297 1063 H ALA 133 H ALA 133 -19.518 -0.111 -9.476 1064 HA ALA 133 HA ALA 133 -21.249 -1.198 -8.504 1065 1HB ALA 133 1HB ALA 133 -22.994 -0.007 -7.319 1066 2HB ALA 133 2HB ALA 133 -22.523 1.506 -8.095 1067 3HB ALA 133 3HB ALA 133 -21.421 0.710 -6.971 1068 H GLU 134 H GLU 134 -22.198 1.294 -10.829 1069 HA GLU 134 HA GLU 134 -24.721 0.226 -11.482 1070 1HB GLU 134 2HB GLU 134 -23.522 2.553 -12.021 1071 2HB GLU 134 1HB GLU 134 -23.160 1.739 -13.534 1072 1HG GLU 134 2HG GLU 134 -25.151 2.966 -13.872 1073 2HG GLU 134 1HG GLU 134 -25.621 1.268 -13.754 1074 H ALA 135 H ALA 135 -21.572 -0.793 -12.288 1075 HA ALA 135 HA ALA 135 -22.579 -2.822 -14.096 1076 1HB ALA 135 1HB ALA 135 -20.920 -2.334 -15.832 1077 2HB ALA 135 2HB ALA 135 -20.379 -0.919 -14.929 1078 3HB ALA 135 3HB ALA 135 -22.008 -0.965 -15.601 1079 H GLU 136 H GLU 136 -21.619 -4.671 -13.693 1080 HA GLU 136 HA GLU 136 -20.245 -6.270 -12.893 1081 1HB GLU 136 2HB GLU 136 -18.056 -4.177 -13.035 1082 2HB GLU 136 1HB GLU 136 -17.832 -5.918 -12.939 1083 1HG GLU 136 2HG GLU 136 -18.948 -6.142 -15.139 1084 2HG GLU 136 1HG GLU 136 -19.056 -4.384 -15.227 Start of MODEL 19 1 1H SER 1 1HT SER 1 -26.292 -6.412 -2.929 2 2H SER 1 2HT SER 1 -27.981 -6.451 -3.008 3 3H SER 1 3HT SER 1 -27.205 -5.244 -2.117 4 HA SER 1 HA SER 1 -28.039 -4.410 -4.227 5 1HB SER 1 2HB SER 1 -25.008 -4.524 -4.071 6 2HB SER 1 1HB SER 1 -25.968 -3.281 -4.875 7 HG SER 1 HG SER 1 -25.264 -3.477 -2.275 8 H MET 2 H MET 2 -27.344 -4.246 -6.624 9 HA MET 2 HA MET 2 -27.619 -6.763 -7.878 10 1HB MET 2 2HB MET 2 -26.679 -4.112 -9.011 11 2HB MET 2 1HB MET 2 -27.041 -5.527 -9.987 12 1HG MET 2 2HG MET 2 -28.892 -3.994 -10.042 13 2HG MET 2 1HG MET 2 -29.364 -5.465 -9.190 14 1HE MET 2 1HE MET 2 -30.921 -2.626 -9.135 15 2HE MET 2 2HE MET 2 -31.382 -2.546 -7.435 16 3HE MET 2 3HE MET 2 -31.518 -4.069 -8.315 17 H THR 3 H THR 3 -24.855 -4.826 -7.006 18 HA THR 3 HA THR 3 -22.924 -6.439 -8.381 19 HB THR 3 HB THR 3 -22.411 -4.531 -6.083 20 HG1 THR 3 1HG THR 3 -22.456 -2.886 -7.531 21 1HG2 THR 3 1HG2 THR 3 -20.500 -5.934 -6.745 22 2HG2 THR 3 2HG2 THR 3 -20.225 -4.244 -7.168 23 3HG2 THR 3 3HG2 THR 3 -20.686 -5.401 -8.416 24 H GLU 4 H GLU 4 -22.577 -8.486 -7.752 25 HA GLU 4 HA GLU 4 -23.049 -9.374 -5.046 26 1HB GLU 4 2HB GLU 4 -22.021 -10.759 -7.531 27 2HB GLU 4 1HB GLU 4 -22.173 -11.577 -5.981 28 1HG GLU 4 2HG GLU 4 -24.491 -10.203 -7.322 29 2HG GLU 4 1HG GLU 4 -24.069 -11.887 -7.632 30 H GLU 5 H GLU 5 -20.293 -8.614 -7.070 31 HA GLU 5 HA GLU 5 -18.459 -9.345 -4.876 32 1HB GLU 5 2HB GLU 5 -17.830 -8.966 -7.815 33 2HB GLU 5 1HB GLU 5 -16.718 -9.531 -6.575 34 1HG GLU 5 2HG GLU 5 -18.061 -11.543 -6.266 35 2HG GLU 5 1HG GLU 5 -19.212 -10.969 -7.472 36 H GLN 6 H GLN 6 -17.827 -7.648 -3.716 37 HA GLN 6 HA GLN 6 -17.553 -5.018 -4.994 38 1HB GLN 6 2HB GLN 6 -17.827 -5.927 -2.142 39 2HB GLN 6 1HB GLN 6 -17.074 -4.377 -2.481 40 1HG GLN 6 2HG GLN 6 -19.406 -4.064 -1.975 41 2HG GLN 6 1HG GLN 6 -19.096 -3.650 -3.657 42 1HE2 GLN 6 1HE2 GLN 6 -19.402 -6.942 -2.450 43 2HE2 GLN 6 2HE2 GLN 6 -20.882 -7.290 -3.270 44 HA PRO 7 HA PRO 7 -13.177 -6.245 -4.993 45 1HB PRO 7 2HB PRO 7 -12.795 -4.338 -7.144 46 2HB PRO 7 1HB PRO 7 -12.744 -6.100 -7.219 47 1HG PRO 7 2HG PRO 7 -14.697 -4.578 -8.400 48 2HG PRO 7 1HG PRO 7 -14.931 -6.259 -7.885 49 1HD PRO 7 2HD PRO 7 -15.732 -3.719 -6.496 50 2HD PRO 7 1HD PRO 7 -16.634 -5.242 -6.671 51 H VAL 8 H VAL 8 -13.790 -2.874 -5.953 52 HA VAL 8 HA VAL 8 -11.467 -1.889 -4.690 53 HB VAL 8 HB VAL 8 -12.324 0.343 -5.244 54 1HG1 VAL 8 1HG1 VAL 8 -12.505 0.050 -7.677 55 2HG1 VAL 8 2HG1 VAL 8 -12.772 -1.680 -7.449 56 3HG1 VAL 8 3HG1 VAL 8 -11.228 -0.957 -6.996 57 1HG2 VAL 8 1HG2 VAL 8 -14.517 0.602 -6.324 58 2HG2 VAL 8 2HG2 VAL 8 -14.673 0.006 -4.672 59 3HG2 VAL 8 3HG2 VAL 8 -14.863 -1.103 -6.030 60 H ALA 9 H ALA 9 -14.554 -2.602 -3.405 61 HA ALA 9 HA ALA 9 -14.620 -0.561 -1.396 62 1HB ALA 9 1HB ALA 9 -16.147 -3.170 -1.527 63 2HB ALA 9 2HB ALA 9 -16.669 -1.633 -2.217 64 3HB ALA 9 3HB ALA 9 -16.508 -1.804 -0.469 65 H SER 10 H SER 10 -12.728 -3.305 -1.735 66 HA SER 10 HA SER 10 -12.562 -4.065 1.031 67 1HB SER 10 2HB SER 10 -10.634 -5.446 0.264 68 2HB SER 10 1HB SER 10 -12.085 -5.712 -0.703 69 HG SER 10 HG SER 10 -11.054 -5.008 -2.388 70 H TRP 11 H TRP 11 -11.301 -1.542 -0.851 71 HA TRP 11 HA TRP 11 -8.756 -1.118 0.196 72 1HB TRP 11 2HB TRP 11 -10.810 0.929 -0.673 73 2HB TRP 11 1HB TRP 11 -9.108 1.269 -0.402 74 HD1 TRP 11 HD TRP 11 -8.691 -1.840 -2.017 75 HE1 TRP 11 1HE TRP 11 -8.519 -1.626 -4.581 76 HE3 TRP 11 3HE TRP 11 -10.606 2.857 -2.562 77 HZ2 TRP 11 2HZ TRP 11 -9.116 0.296 -6.563 78 HZ3 TRP 11 3HZ TRP 11 -10.774 3.818 -4.811 79 HH2 TRP 11 HH TRP 11 -10.043 2.565 -6.779 80 H ALA 12 H ALA 12 -11.876 0.187 1.311 81 HA ALA 12 HA ALA 12 -10.792 1.606 3.515 82 1HB ALA 12 1HB ALA 12 -13.107 1.894 4.233 83 2HB ALA 12 2HB ALA 12 -13.631 0.679 3.067 84 3HB ALA 12 3HB ALA 12 -12.938 2.200 2.506 85 H LEU 13 H LEU 13 -11.111 -1.678 3.045 86 HA LEU 13 HA LEU 13 -11.530 -2.302 5.869 87 1HB LEU 13 2HB LEU 13 -11.062 -4.168 3.531 88 2HB LEU 13 1HB LEU 13 -11.528 -4.640 5.156 89 HG LEU 13 HG LEU 13 -13.217 -3.049 3.215 90 1HD1 LEU 13 1HD1 LEU 13 -14.656 -5.016 3.186 91 2HD1 LEU 13 2HD1 LEU 13 -13.535 -5.864 4.252 92 3HD1 LEU 13 3HD1 LEU 13 -13.031 -5.408 2.624 93 1HD2 LEU 13 1HD2 LEU 13 -13.630 -2.321 5.507 94 2HD2 LEU 13 2HD2 LEU 13 -13.864 -3.995 6.013 95 3HD2 LEU 13 3HD2 LEU 13 -14.999 -3.246 4.889 96 H SER 14 H SER 14 -9.012 -2.323 3.392 97 HA SER 14 HA SER 14 -6.999 -2.542 5.484 98 1HB SER 14 2HB SER 14 -6.909 -4.417 3.128 99 2HB SER 14 1HB SER 14 -5.839 -4.404 4.525 100 HG SER 14 HG SER 14 -7.928 -4.780 5.736 101 H PHE 15 H PHE 15 -5.690 -0.944 5.132 102 HA PHE 15 HA PHE 15 -5.466 0.584 2.795 103 1HB PHE 15 2HB PHE 15 -4.859 1.493 4.973 104 2HB PHE 15 1HB PHE 15 -3.553 0.325 5.132 105 HD1 PHE 15 1HD PHE 15 -1.478 1.308 4.947 106 HD2 PHE 15 2HD PHE 15 -4.643 2.726 2.472 107 HE1 PHE 15 1HE PHE 15 0.064 2.908 3.892 108 HE2 PHE 15 2HE PHE 15 -3.104 4.325 1.416 109 HZ PHE 15 HZ PHE 15 -0.749 4.419 2.125 110 H GLU 16 H GLU 16 -3.406 -1.971 4.090 111 HA GLU 16 HA GLU 16 -1.306 -1.910 2.330 112 1HB GLU 16 2HB GLU 16 -1.438 -3.325 4.355 113 2HB GLU 16 1HB GLU 16 -2.590 -4.371 3.536 114 1HG GLU 16 2HG GLU 16 -0.882 -4.969 1.889 115 2HG GLU 16 1HG GLU 16 0.272 -3.910 2.699 116 H ARG 17 H ARG 17 -4.455 -3.546 1.910 117 HA ARG 17 HA ARG 17 -3.782 -4.769 -0.548 118 1HB ARG 17 2HB ARG 17 -5.714 -5.548 0.735 119 2HB ARG 17 1HB ARG 17 -6.526 -4.005 0.488 120 1HG ARG 17 2HG ARG 17 -6.669 -4.399 -1.889 121 2HG ARG 17 1HG ARG 17 -5.711 -5.870 -1.742 122 1HD ARG 17 2HD ARG 17 -7.491 -6.912 -0.435 123 2HD ARG 17 1HD ARG 17 -8.439 -5.425 -0.524 124 HE ARG 17 HE ARG 17 -8.028 -5.963 -3.117 125 1HH1 ARG 17 1HH1 ARG 17 -9.141 -8.024 -0.514 126 2HH1 ARG 17 2HH1 ARG 17 -10.124 -9.006 -1.550 127 1HH2 ARG 17 1HH2 ARG 17 -9.301 -7.247 -4.474 128 2HH2 ARG 17 2HH2 ARG 17 -10.209 -8.574 -3.813 129 H LEU 18 H LEU 18 -5.594 -1.761 0.141 130 HA LEU 18 HA LEU 18 -5.989 -0.890 -2.468 131 1HB LEU 18 2HB LEU 18 -7.026 0.297 -0.677 132 2HB LEU 18 1HB LEU 18 -5.490 0.643 0.088 133 HG LEU 18 HG LEU 18 -6.018 1.803 -2.631 134 1HD1 LEU 18 1HD1 LEU 18 -7.141 2.916 -0.059 135 2HD1 LEU 18 2HD1 LEU 18 -8.061 2.323 -1.443 136 3HD1 LEU 18 3HD1 LEU 18 -7.072 3.772 -1.602 137 1HD2 LEU 18 1HD2 LEU 18 -4.557 2.819 -0.185 138 2HD2 LEU 18 2HD2 LEU 18 -4.675 3.659 -1.731 139 3HD2 LEU 18 3HD2 LEU 18 -3.818 2.123 -1.628 140 H LEU 19 H LEU 19 -3.229 -0.383 -0.357 141 HA LEU 19 HA LEU 19 -1.769 1.256 -2.161 142 1HB LEU 19 2HB LEU 19 -1.537 1.360 0.277 143 2HB LEU 19 1HB LEU 19 -0.895 -0.270 0.296 144 HG LEU 19 HG LEU 19 1.085 0.464 -0.915 145 1HD1 LEU 19 1HD1 LEU 19 -0.134 3.227 -0.796 146 2HD1 LEU 19 2HD1 LEU 19 0.117 2.260 -2.249 147 3HD1 LEU 19 3HD1 LEU 19 1.503 2.849 -1.333 148 1HD2 LEU 19 1HD2 LEU 19 1.098 0.543 1.521 149 2HD2 LEU 19 2HD2 LEU 19 0.500 2.202 1.479 150 3HD2 LEU 19 3HD2 LEU 19 2.098 1.822 0.836 151 H GLN 20 H GLN 20 -1.992 -2.177 -1.667 152 HA GLN 20 HA GLN 20 0.394 -2.658 -3.305 153 1HB GLN 20 2HB GLN 20 0.160 -3.905 -1.195 154 2HB GLN 20 1HB GLN 20 -1.350 -4.597 -1.765 155 1HG GLN 20 2HG GLN 20 -0.236 -5.885 -3.423 156 2HG GLN 20 1HG GLN 20 1.278 -5.016 -3.175 157 1HE2 GLN 20 1HE2 GLN 20 1.127 -5.016 -0.308 158 2HE2 GLN 20 2HE2 GLN 20 1.464 -6.627 0.209 159 H ASP 21 H ASP 21 -2.861 -2.201 -3.766 160 HA ASP 21 HA ASP 21 -3.085 -4.046 -6.031 161 1HB ASP 21 2HB ASP 21 -5.023 -3.777 -4.491 162 2HB ASP 21 1HB ASP 21 -5.117 -2.075 -4.929 163 HA PRO 22 HA PRO 22 -1.579 -0.990 -8.871 164 1HB PRO 22 2HB PRO 22 -2.912 -1.858 -11.145 165 2HB PRO 22 1HB PRO 22 -1.401 -2.541 -10.536 166 1HG PRO 22 2HG PRO 22 -4.206 -3.521 -10.171 167 2HG PRO 22 1HG PRO 22 -2.726 -4.448 -10.487 168 1HD PRO 22 2HD PRO 22 -3.792 -4.312 -8.028 169 2HD PRO 22 1HD PRO 22 -2.032 -4.330 -8.268 170 H LEU 23 H LEU 23 -5.077 -1.708 -9.057 171 HA LEU 23 HA LEU 23 -5.742 0.784 -10.285 172 1HB LEU 23 2HB LEU 23 -7.074 -1.387 -10.365 173 2HB LEU 23 1HB LEU 23 -7.593 -1.039 -8.730 174 HG LEU 23 HG LEU 23 -8.125 0.876 -11.007 175 1HD1 LEU 23 1HD1 LEU 23 -10.352 -0.118 -11.207 176 2HD1 LEU 23 2HD1 LEU 23 -9.902 -1.374 -10.052 177 3HD1 LEU 23 3HD1 LEU 23 -9.092 -1.281 -11.616 178 1HD2 LEU 23 1HD2 LEU 23 -9.478 0.469 -8.336 179 2HD2 LEU 23 2HD2 LEU 23 -9.935 1.654 -9.559 180 3HD2 LEU 23 3HD2 LEU 23 -8.376 1.783 -8.748 181 H GLY 24 H GLY 24 -5.799 -0.482 -6.991 182 1HA GLY 24 2HA GLY 24 -6.967 1.727 -5.707 183 2HA GLY 24 1HA GLY 24 -5.905 0.550 -4.949 184 H LEU 25 H LEU 25 -3.527 0.874 -5.982 185 HA LEU 25 HA LEU 25 -2.533 3.205 -4.791 186 1HB LEU 25 2HB LEU 25 -1.432 0.864 -5.716 187 2HB LEU 25 1HB LEU 25 -0.828 2.015 -6.888 188 HG LEU 25 HG LEU 25 -0.349 1.983 -3.911 189 1HD1 LEU 25 1HD1 LEU 25 1.529 1.871 -6.266 190 2HD1 LEU 25 2HD1 LEU 25 1.081 0.524 -5.219 191 3HD1 LEU 25 3HD1 LEU 25 2.002 1.878 -4.567 192 1HD2 LEU 25 1HD2 LEU 25 0.935 4.056 -4.178 193 2HD2 LEU 25 2HD2 LEU 25 -0.777 4.297 -4.518 194 3HD2 LEU 25 3HD2 LEU 25 0.377 4.183 -5.848 195 H ALA 26 H ALA 26 -3.537 2.507 -8.078 196 HA ALA 26 HA ALA 26 -2.333 4.616 -9.442 197 1HB ALA 26 1HB ALA 26 -4.099 4.364 -11.107 198 2HB ALA 26 2HB ALA 26 -5.059 3.422 -9.966 199 3HB ALA 26 3HB ALA 26 -3.526 2.787 -10.561 200 H TYR 27 H TYR 27 -5.642 4.546 -8.066 201 HA TYR 27 HA TYR 27 -6.065 7.327 -8.541 202 1HB TYR 27 2HB TYR 27 -7.533 5.279 -6.880 203 2HB TYR 27 1HB TYR 27 -8.031 6.966 -6.929 204 HD1 TYR 27 1HD TYR 27 -8.354 3.785 -8.496 205 HD2 TYR 27 2HD TYR 27 -8.493 7.971 -9.273 206 HE1 TYR 27 1HE TYR 27 -9.669 3.361 -10.533 207 HE2 TYR 27 2HE TYR 27 -9.806 7.556 -11.306 208 HH TYR 27 HH TYR 27 -11.261 4.559 -11.978 209 H PHE 28 H PHE 28 -4.924 5.451 -5.804 210 HA PHE 28 HA PHE 28 -5.121 7.468 -3.845 211 1HB PHE 28 2HB PHE 28 -4.845 5.071 -3.326 212 2HB PHE 28 1HB PHE 28 -3.211 5.119 -3.977 213 HD1 PHE 28 1HD PHE 28 -5.144 7.286 -1.614 214 HD2 PHE 28 2HD PHE 28 -1.644 4.954 -2.298 215 HE1 PHE 28 1HE PHE 28 -4.304 7.896 0.614 216 HE2 PHE 28 2HE PHE 28 -0.802 5.566 -0.073 217 HZ PHE 28 HZ PHE 28 -2.131 7.038 1.389 218 H THR 29 H THR 29 -2.466 6.521 -6.001 219 HA THR 29 HA THR 29 -0.582 8.360 -4.905 220 HB THR 29 HB THR 29 -0.016 6.250 -6.234 221 HG1 THR 29 1HG THR 29 1.176 8.777 -6.716 222 1HG2 THR 29 1HG2 THR 29 0.191 6.482 -8.664 223 2HG2 THR 29 2HG2 THR 29 -0.566 8.072 -8.586 224 3HG2 THR 29 3HG2 THR 29 -1.491 6.633 -8.158 225 H GLU 30 H GLU 30 -3.058 8.525 -7.338 226 HA GLU 30 HA GLU 30 -2.193 10.984 -8.526 227 1HB GLU 30 2HB GLU 30 -4.747 9.390 -8.625 228 2HB GLU 30 1HB GLU 30 -4.642 10.978 -9.371 229 1HG GLU 30 2HG GLU 30 -2.828 8.661 -10.024 230 2HG GLU 30 1HG GLU 30 -4.266 9.101 -10.944 231 H PHE 31 H PHE 31 -4.503 10.107 -5.979 232 HA PHE 31 HA PHE 31 -5.481 12.798 -5.738 233 1HB PHE 31 2HB PHE 31 -6.864 10.766 -5.193 234 2HB PHE 31 1HB PHE 31 -5.865 10.540 -3.758 235 HD1 PHE 31 1HD PHE 31 -8.278 12.787 -5.409 236 HD2 PHE 31 2HD PHE 31 -6.183 11.891 -1.807 237 HE1 PHE 31 1HE PHE 31 -9.690 14.388 -4.193 238 HE2 PHE 31 2HE PHE 31 -7.598 13.490 -0.588 239 HZ PHE 31 HZ PHE 31 -9.352 14.743 -1.779 240 H LEU 32 H LEU 32 -3.116 10.806 -4.067 241 HA LEU 32 HA LEU 32 -2.627 12.685 -1.958 242 1HB LEU 32 2HB LEU 32 -2.220 10.222 -1.814 243 2HB LEU 32 1HB LEU 32 -0.894 10.405 -2.942 244 HG LEU 32 HG LEU 32 0.356 11.731 -1.326 245 1HD1 LEU 32 1HD1 LEU 32 -2.017 11.369 0.502 246 2HD1 LEU 32 2HD1 LEU 32 -1.489 12.883 -0.238 247 3HD1 LEU 32 3HD1 LEU 32 -0.463 12.078 0.948 248 1HD2 LEU 32 1HD2 LEU 32 0.742 10.012 0.375 249 2HD2 LEU 32 2HD2 LEU 32 0.606 9.311 -1.237 250 3HD2 LEU 32 3HD2 LEU 32 -0.746 9.198 -0.108 251 H LYS 33 H LYS 33 -2.204 13.081 -5.086 252 HA LYS 33 HA LYS 33 0.416 14.407 -4.959 253 1HB LYS 33 2HB LYS 33 0.033 12.654 -6.698 254 2HB LYS 33 1HB LYS 33 -1.264 13.634 -7.363 255 1HG LYS 33 2HG LYS 33 0.372 15.408 -7.880 256 2HG LYS 33 1HG LYS 33 1.663 14.369 -7.264 257 1HD LYS 33 2HD LYS 33 1.088 12.673 -8.960 258 2HD LYS 33 1HD LYS 33 -0.176 13.733 -9.582 259 1HE LYS 33 2HE LYS 33 1.554 15.421 -10.124 260 2HE LYS 33 1HE LYS 33 2.794 14.292 -9.573 261 1HZ LYS 33 1HZ LYS 33 2.592 14.168 -11.949 262 2HZ LYS 33 2HZ LYS 33 0.926 13.895 -11.850 263 3HZ LYS 33 3HZ LYS 33 2.008 12.724 -11.287 264 H LYS 34 H LYS 34 -2.820 15.088 -4.632 265 HA LYS 34 HA LYS 34 -3.101 17.415 -6.270 266 1HB LYS 34 2HB LYS 34 -4.684 16.698 -3.786 267 2HB LYS 34 1HB LYS 34 -5.169 17.816 -5.050 268 1HG LYS 34 2HG LYS 34 -4.813 14.838 -5.382 269 2HG LYS 34 1HG LYS 34 -6.351 15.679 -5.195 270 1HD LYS 34 2HD LYS 34 -5.922 16.898 -7.293 271 2HD LYS 34 1HD LYS 34 -4.398 16.025 -7.477 272 1HE LYS 34 2HE LYS 34 -5.620 13.903 -7.577 273 2HE LYS 34 1HE LYS 34 -7.143 14.764 -7.370 274 1HZ LYS 34 1HZ LYS 34 -5.281 15.047 -9.665 275 2HZ LYS 34 2HZ LYS 34 -6.719 15.908 -9.466 276 3HZ LYS 34 3HZ LYS 34 -6.763 14.232 -9.681 277 H GLU 35 H GLU 35 -2.902 17.068 -2.736 278 HA GLU 35 HA GLU 35 -1.970 19.804 -2.429 279 1HB GLU 35 2HB GLU 35 -2.000 19.344 -0.013 280 2HB GLU 35 1HB GLU 35 -3.531 18.927 -0.760 281 1HG GLU 35 2HG GLU 35 -1.384 16.914 -0.099 282 2HG GLU 35 1HG GLU 35 -2.714 17.326 0.979 283 H PHE 36 H PHE 36 -0.695 16.729 -2.895 284 HA PHE 36 HA PHE 36 1.389 16.097 -3.478 285 1HB PHE 36 2HB PHE 36 1.912 18.374 -4.238 286 2HB PHE 36 1HB PHE 36 2.328 18.837 -2.590 287 HD1 PHE 36 1HD PHE 36 4.535 18.598 -1.835 288 HD2 PHE 36 2HD PHE 36 3.267 16.435 -5.283 289 HE1 PHE 36 1HE PHE 36 6.847 17.842 -2.211 290 HE2 PHE 36 2HE PHE 36 5.582 15.683 -5.661 291 HZ PHE 36 HZ PHE 36 7.372 16.387 -4.125 292 H SER 37 H SER 37 1.082 14.603 -1.860 293 HA SER 37 HA SER 37 3.200 14.779 0.142 294 1HB SER 37 2HB SER 37 0.358 13.895 0.746 295 2HB SER 37 1HB SER 37 1.720 13.739 1.850 296 HG SER 37 HG SER 37 1.526 16.269 0.926 297 H ALA 38 H ALA 38 2.423 13.499 -2.515 298 HA ALA 38 HA ALA 38 2.103 10.703 -2.093 299 1HB ALA 38 1HB ALA 38 2.441 10.507 -4.501 300 2HB ALA 38 2HB ALA 38 2.997 12.181 -4.573 301 3HB ALA 38 3HB ALA 38 1.328 11.823 -4.129 302 H GLU 39 H GLU 39 4.667 12.497 -1.313 303 HA GLU 39 HA GLU 39 6.930 11.266 -2.380 304 1HB GLU 39 2HB GLU 39 6.563 12.202 0.482 305 2HB GLU 39 1HB GLU 39 8.092 12.010 -0.364 306 1HG GLU 39 2HG GLU 39 7.564 13.836 -1.844 307 2HG GLU 39 1HG GLU 39 5.943 13.969 -1.161 308 H ASN 40 H ASN 40 4.839 10.379 0.289 309 HA ASN 40 HA ASN 40 6.282 8.253 1.377 310 1HB ASN 40 2HB ASN 40 3.270 8.606 1.265 311 2HB ASN 40 1HB ASN 40 4.137 7.536 2.363 312 1HD2 ASN 40 1HD2 ASN 40 2.344 9.814 2.878 313 2HD2 ASN 40 2HD2 ASN 40 3.245 10.892 3.884 314 H VAL 41 H VAL 41 3.581 8.129 -0.964 315 HA VAL 41 HA VAL 41 3.620 5.322 -1.210 316 HB VAL 41 HB VAL 41 2.173 5.584 -3.170 317 1HG1 VAL 41 1HG1 VAL 41 1.188 5.716 -0.953 318 2HG1 VAL 41 2HG1 VAL 41 0.335 6.779 -2.072 319 3HG1 VAL 41 3HG1 VAL 41 1.475 7.456 -0.909 320 1HG2 VAL 41 1HG2 VAL 41 2.709 8.548 -2.902 321 2HG2 VAL 41 2HG2 VAL 41 1.518 7.812 -3.975 322 3HG2 VAL 41 3HG2 VAL 41 3.238 7.512 -4.229 323 H THR 42 H THR 42 5.143 7.865 -3.168 324 HA THR 42 HA THR 42 6.049 6.159 -5.225 325 HB THR 42 HB THR 42 7.413 8.723 -4.364 326 HG1 THR 42 1HG THR 42 5.495 9.574 -4.737 327 1HG2 THR 42 1HG2 THR 42 7.084 7.409 -7.075 328 2HG2 THR 42 2HG2 THR 42 8.560 7.411 -6.110 329 3HG2 THR 42 3HG2 THR 42 7.927 8.926 -6.756 330 H PHE 43 H PHE 43 7.510 7.238 -2.187 331 HA PHE 43 HA PHE 43 10.000 5.942 -2.465 332 1HB PHE 43 2HB PHE 43 9.663 7.633 -0.763 333 2HB PHE 43 1HB PHE 43 8.391 6.683 -0.007 334 HD1 PHE 43 1HD PHE 43 12.035 6.688 -0.750 335 HD2 PHE 43 2HD PHE 43 8.902 5.162 1.703 336 HE1 PHE 43 1HE PHE 43 13.701 5.678 0.751 337 HE2 PHE 43 2HE PHE 43 10.568 4.147 3.202 338 HZ PHE 43 HZ PHE 43 12.970 4.406 2.727 339 H TRP 44 H TRP 44 6.900 4.910 -1.131 340 HA TRP 44 HA TRP 44 7.665 2.409 -0.131 341 1HB TRP 44 2HB TRP 44 5.479 3.599 0.301 342 2HB TRP 44 1HB TRP 44 4.962 3.123 -1.312 343 HD1 TRP 44 HD TRP 44 5.745 1.619 2.142 344 HE1 TRP 44 1HE TRP 44 4.613 -0.688 2.309 345 HE3 TRP 44 3HE TRP 44 4.040 1.205 -2.666 346 HZ2 TRP 44 2HZ TRP 44 3.169 -2.437 0.628 347 HZ3 TRP 44 3HZ TRP 44 2.784 -0.813 -3.300 348 HH2 TRP 44 HH TRP 44 2.359 -2.598 -1.687 349 H LYS 45 H LYS 45 6.450 3.361 -3.324 350 HA LYS 45 HA LYS 45 6.398 0.843 -4.549 351 1HB LYS 45 2HB LYS 45 7.055 3.518 -5.815 352 2HB LYS 45 1HB LYS 45 6.580 2.068 -6.686 353 1HG LYS 45 2HG LYS 45 4.372 2.149 -5.705 354 2HG LYS 45 1HG LYS 45 4.840 3.519 -4.694 355 1HD LYS 45 2HD LYS 45 5.290 4.822 -6.782 356 2HD LYS 45 1HD LYS 45 4.644 3.468 -7.712 357 1HE LYS 45 2HE LYS 45 2.483 3.723 -6.602 358 2HE LYS 45 1HE LYS 45 3.127 5.043 -5.623 359 1HZ LYS 45 1HZ LYS 45 3.547 6.254 -7.724 360 2HZ LYS 45 2HZ LYS 45 1.911 5.959 -7.440 361 3HZ LYS 45 3HZ LYS 45 2.751 5.024 -8.568 362 H ALA 46 H ALA 46 8.962 3.289 -4.428 363 HA ALA 46 HA ALA 46 10.849 1.959 -6.009 364 1HB ALA 46 1HB ALA 46 12.477 3.498 -5.079 365 2HB ALA 46 2HB ALA 46 11.380 3.901 -3.757 366 3HB ALA 46 3HB ALA 46 10.968 4.346 -5.412 367 H CYS 47 H CYS 47 10.307 1.868 -2.508 368 HA CYS 47 HA CYS 47 12.551 0.232 -1.918 369 1HB CYS 47 2HB CYS 47 9.998 0.686 -0.357 370 2HB CYS 47 1HB CYS 47 11.435 -0.113 0.273 371 HG CYS 47 HG CYS 47 11.276 3.155 -0.737 372 H GLU 48 H GLU 48 9.184 -0.463 -2.743 373 HA GLU 48 HA GLU 48 9.341 -3.263 -2.279 374 1HB GLU 48 2HB GLU 48 7.177 -2.156 -2.428 375 2HB GLU 48 1HB GLU 48 7.499 -1.670 -4.084 376 1HG GLU 48 2HG GLU 48 7.593 -4.077 -4.711 377 2HG GLU 48 1HG GLU 48 7.120 -4.480 -3.063 378 H ARG 49 H ARG 49 9.978 -1.198 -5.062 379 HA ARG 49 HA ARG 49 10.520 -3.151 -6.991 380 1HB ARG 49 2HB ARG 49 11.612 -0.371 -6.559 381 2HB ARG 49 1HB ARG 49 12.103 -1.357 -7.927 382 1HG ARG 49 2HG ARG 49 9.864 -1.406 -8.783 383 2HG ARG 49 1HG ARG 49 9.245 -0.603 -7.336 384 1HD ARG 49 2HD ARG 49 9.577 0.855 -9.397 385 2HD ARG 49 1HD ARG 49 10.287 1.438 -7.893 386 HE ARG 49 HE ARG 49 12.370 0.173 -8.925 387 1HH1 ARG 49 1HH1 ARG 49 10.073 2.252 -10.561 388 2HH1 ARG 49 2HH1 ARG 49 11.248 2.876 -11.675 389 1HH2 ARG 49 1HH2 ARG 49 13.909 0.977 -10.370 390 2HH2 ARG 49 2HH2 ARG 49 13.440 2.154 -11.567 391 H PHE 50 H PHE 50 12.510 -1.776 -4.455 392 HA PHE 50 HA PHE 50 15.010 -2.764 -5.241 393 1HB PHE 50 2HB PHE 50 14.678 -0.983 -3.575 394 2HB PHE 50 1HB PHE 50 13.960 -2.142 -2.466 395 HD1 PHE 50 1HD PHE 50 15.299 -3.189 -0.888 396 HD2 PHE 50 2HD PHE 50 17.120 -1.462 -4.334 397 HE1 PHE 50 1HE PHE 50 17.521 -3.625 0.069 398 HE2 PHE 50 2HE PHE 50 19.343 -1.900 -3.377 399 HZ PHE 50 HZ PHE 50 19.548 -2.979 -1.174 400 H GLN 51 H GLN 51 12.504 -4.175 -3.164 401 HA GLN 51 HA GLN 51 14.133 -6.448 -2.460 402 1HB GLN 51 2HB GLN 51 12.117 -7.249 -1.274 403 2HB GLN 51 1HB GLN 51 12.552 -5.601 -0.838 404 1HG GLN 51 2HG GLN 51 10.804 -4.755 -2.344 405 2HG GLN 51 1HG GLN 51 10.350 -6.417 -2.727 406 1HE2 GLN 51 1HE2 GLN 51 10.328 -3.927 -0.295 407 2HE2 GLN 51 2HE2 GLN 51 9.189 -4.682 0.757 408 H GLN 52 H GLN 52 12.661 -5.701 -5.275 409 HA GLN 52 HA GLN 52 11.543 -8.291 -5.925 410 1HB GLN 52 2HB GLN 52 12.150 -5.857 -7.619 411 2HB GLN 52 1HB GLN 52 11.414 -7.324 -8.247 412 1HG GLN 52 2HG GLN 52 9.493 -7.017 -6.797 413 2HG GLN 52 1HG GLN 52 10.242 -5.596 -6.074 414 1HE2 GLN 52 1HE2 GLN 52 11.308 -4.603 -8.593 415 2HE2 GLN 52 2HE2 GLN 52 9.961 -3.990 -9.483 416 H ILE 53 H ILE 53 14.632 -6.900 -5.848 417 HA ILE 53 HA ILE 53 15.733 -8.394 -8.082 418 HB ILE 53 HB ILE 53 17.111 -6.653 -6.025 419 1HG1 ILE 53 2HG1 ILE 53 16.211 -5.970 -8.838 420 2HG1 ILE 53 1HG1 ILE 53 15.383 -5.468 -7.367 421 1HG2 ILE 53 1HG2 ILE 53 18.956 -6.534 -7.628 422 2HG2 ILE 53 2HG2 ILE 53 18.097 -7.634 -8.707 423 3HG2 ILE 53 3HG2 ILE 53 18.655 -8.200 -7.132 424 1HD1 ILE 53 1HD1 ILE 53 18.208 -4.726 -8.082 425 2HD1 ILE 53 2HD1 ILE 53 17.271 -4.138 -6.706 426 3HD1 ILE 53 3HD1 ILE 53 16.791 -3.715 -8.348 427 HA PRO 54 HA PRO 54 17.077 -11.914 -5.604 428 1HB PRO 54 2HB PRO 54 19.126 -12.305 -7.700 429 2HB PRO 54 1HB PRO 54 17.820 -13.380 -7.194 430 1HG PRO 54 2HG PRO 54 17.754 -12.097 -9.554 431 2HG PRO 54 1HG PRO 54 16.280 -12.397 -8.612 432 1HD PRO 54 2HD PRO 54 17.887 -9.875 -8.863 433 2HD PRO 54 1HD PRO 54 16.123 -10.091 -8.857 434 H ALA 55 H ALA 55 18.813 -12.465 -4.270 435 HA ALA 55 HA ALA 55 20.468 -10.392 -3.353 436 1HB ALA 55 1HB ALA 55 21.509 -12.086 -1.939 437 2HB ALA 55 2HB ALA 55 20.785 -13.366 -2.915 438 3HB ALA 55 3HB ALA 55 19.757 -12.291 -1.965 439 H SER 56 H SER 56 20.907 -12.692 -5.874 440 HA SER 56 HA SER 56 23.724 -12.771 -5.988 441 1HB SER 56 2HB SER 56 21.737 -13.164 -8.246 442 2HB SER 56 1HB SER 56 23.406 -13.738 -8.206 443 HG SER 56 HG SER 56 22.702 -15.432 -7.207 444 H ASP 57 H ASP 57 21.332 -10.650 -7.513 445 HA ASP 57 HA ASP 57 23.391 -9.305 -9.065 446 1HB ASP 57 2HB ASP 57 20.389 -8.946 -8.952 447 2HB ASP 57 1HB ASP 57 21.451 -7.952 -9.944 448 H THR 58 H THR 58 24.561 -8.501 -7.273 449 HA THR 58 HA THR 58 23.404 -6.759 -5.344 450 HB THR 58 HB THR 58 26.329 -7.030 -6.091 451 HG1 THR 58 1HG THR 58 24.586 -8.769 -4.910 452 1HG2 THR 58 1HG2 THR 58 26.732 -6.315 -3.777 453 2HG2 THR 58 2HG2 THR 58 24.997 -6.139 -3.518 454 3HG2 THR 58 3HG2 THR 58 25.829 -5.085 -4.662 455 H GLN 59 H GLN 59 25.042 -6.241 -8.439 456 HA GLN 59 HA GLN 59 25.341 -3.424 -8.129 457 1HB GLN 59 2HB GLN 59 26.708 -4.645 -9.748 458 2HB GLN 59 1HB GLN 59 25.272 -5.112 -10.648 459 1HG GLN 59 2HG GLN 59 26.418 -3.304 -11.774 460 2HG GLN 59 1HG GLN 59 24.847 -2.756 -11.193 461 1HE2 GLN 59 1HE2 GLN 59 24.764 -1.284 -9.465 462 2HE2 GLN 59 2HE2 GLN 59 26.144 -0.363 -8.978 463 H GLN 60 H GLN 60 22.840 -5.506 -9.520 464 HA GLN 60 HA GLN 60 21.196 -3.448 -10.543 465 1HB GLN 60 2HB GLN 60 20.953 -5.891 -11.070 466 2HB GLN 60 1HB GLN 60 20.296 -6.133 -9.456 467 1HG GLN 60 2HG GLN 60 18.430 -4.647 -9.981 468 2HG GLN 60 1HG GLN 60 19.094 -4.372 -11.591 469 1HE2 GLN 60 1HE2 GLN 60 16.513 -5.471 -10.796 470 2HE2 GLN 60 2HE2 GLN 60 16.412 -7.040 -11.515 471 H LEU 61 H LEU 61 21.230 -5.129 -7.409 472 HA LEU 61 HA LEU 61 19.244 -3.743 -6.062 473 1HB LEU 61 2HB LEU 61 21.884 -4.853 -5.112 474 2HB LEU 61 1HB LEU 61 20.749 -4.106 -4.005 475 HG LEU 61 HG LEU 61 20.052 -6.496 -5.723 476 1HD1 LEU 61 1HD1 LEU 61 20.982 -6.444 -2.847 477 2HD1 LEU 61 2HD1 LEU 61 21.874 -7.105 -4.219 478 3HD1 LEU 61 3HD1 LEU 61 20.362 -7.855 -3.707 479 1HD2 LEU 61 1HD2 LEU 61 18.200 -6.737 -4.133 480 2HD2 LEU 61 2HD2 LEU 61 18.142 -5.179 -4.956 481 3HD2 LEU 61 3HD2 LEU 61 18.724 -5.277 -3.294 482 H ALA 62 H ALA 62 22.659 -2.895 -6.466 483 HA ALA 62 HA ALA 62 22.695 -0.568 -4.924 484 1HB ALA 62 1HB ALA 62 24.721 -1.698 -5.699 485 2HB ALA 62 2HB ALA 62 24.735 0.010 -6.139 486 3HB ALA 62 3HB ALA 62 24.364 -1.211 -7.357 487 H GLN 63 H GLN 63 21.867 -1.047 -8.330 488 HA GLN 63 HA GLN 63 21.767 1.671 -9.063 489 1HB GLN 63 2HB GLN 63 20.371 -0.747 -10.226 490 2HB GLN 63 1HB GLN 63 20.310 0.853 -10.958 491 1HG GLN 63 2HG GLN 63 22.751 0.838 -11.191 492 2HG GLN 63 1HG GLN 63 22.804 -0.772 -10.472 493 1HE2 GLN 63 1HE2 GLN 63 22.103 -2.534 -11.674 494 2HE2 GLN 63 2HE2 GLN 63 21.858 -2.453 -13.383 495 H GLU 64 H GLU 64 19.138 -0.542 -8.085 496 HA GLU 64 HA GLU 64 17.099 1.410 -8.124 497 1HB GLU 64 2HB GLU 64 17.325 -1.165 -6.545 498 2HB GLU 64 1HB GLU 64 15.866 -0.187 -6.619 499 1HG GLU 64 2HG GLU 64 17.213 -1.409 -9.025 500 2HG GLU 64 1HG GLU 64 15.876 -2.147 -8.147 501 H ALA 65 H ALA 65 19.244 0.273 -5.542 502 HA ALA 65 HA ALA 65 18.206 1.742 -3.408 503 1HB ALA 65 1HB ALA 65 21.090 0.980 -3.906 504 2HB ALA 65 2HB ALA 65 19.872 -0.034 -3.131 505 3HB ALA 65 3HB ALA 65 20.399 1.459 -2.354 506 H ARG 66 H ARG 66 20.634 2.618 -5.827 507 HA ARG 66 HA ARG 66 21.252 5.185 -4.819 508 1HB ARG 66 2HB ARG 66 21.451 3.988 -7.593 509 2HB ARG 66 1HB ARG 66 22.006 5.615 -7.225 510 1HG ARG 66 2HG ARG 66 23.024 3.204 -5.741 511 2HG ARG 66 1HG ARG 66 23.750 3.764 -7.249 512 1HD ARG 66 2HD ARG 66 23.444 5.401 -4.727 513 2HD ARG 66 1HD ARG 66 24.935 4.637 -5.281 514 HE ARG 66 HE ARG 66 23.551 6.692 -6.890 515 1HH1 ARG 66 1HH1 ARG 66 26.458 5.492 -5.331 516 2HH1 ARG 66 2HH1 ARG 66 27.480 6.687 -6.061 517 1HH2 ARG 66 1HH2 ARG 66 24.900 8.250 -7.842 518 2HH2 ARG 66 2HH2 ARG 66 26.594 8.267 -7.469 519 H ASN 67 H ASN 67 18.734 3.992 -6.966 520 HA ASN 67 HA ASN 67 17.808 6.527 -7.848 521 1HB ASN 67 2HB ASN 67 17.229 4.492 -9.073 522 2HB ASN 67 1HB ASN 67 16.342 3.878 -7.679 523 1HD2 ASN 67 1HD2 ASN 67 16.364 6.245 -10.248 524 2HD2 ASN 67 2HD2 ASN 67 14.689 6.664 -10.146 525 H ILE 68 H ILE 68 16.775 4.352 -5.250 526 HA ILE 68 HA ILE 68 14.712 5.952 -4.201 527 HB ILE 68 HB ILE 68 16.533 4.117 -2.609 528 1HG1 ILE 68 2HG1 ILE 68 13.973 3.395 -4.069 529 2HG1 ILE 68 1HG1 ILE 68 15.589 2.971 -4.615 530 1HG2 ILE 68 1HG2 ILE 68 14.591 3.858 -1.135 531 2HG2 ILE 68 2HG2 ILE 68 13.675 4.985 -2.137 532 3HG2 ILE 68 3HG2 ILE 68 15.091 5.545 -1.247 533 1HD1 ILE 68 1HD1 ILE 68 14.293 2.049 -2.056 534 2HD1 ILE 68 2HD1 ILE 68 15.914 1.620 -2.605 535 3HD1 ILE 68 3HD1 ILE 68 14.502 1.095 -3.525 536 H TYR 69 H TYR 69 18.163 5.775 -3.531 537 HA TYR 69 HA TYR 69 18.271 7.518 -1.344 538 1HB TYR 69 2HB TYR 69 20.092 5.943 -2.075 539 2HB TYR 69 1HB TYR 69 20.447 7.044 -3.399 540 HD1 TYR 69 1HD TYR 69 20.369 6.790 0.312 541 HD2 TYR 69 2HD TYR 69 21.847 8.927 -3.065 542 HE1 TYR 69 1HE TYR 69 21.878 8.064 1.781 543 HE2 TYR 69 2HE TYR 69 23.353 10.203 -1.605 544 HH TYR 69 HH TYR 69 23.956 9.335 1.634 545 H GLN 70 H GLN 70 19.191 8.184 -4.719 546 HA GLN 70 HA GLN 70 19.423 11.014 -4.175 547 1HB GLN 70 2HB GLN 70 19.786 9.421 -6.727 548 2HB GLN 70 1HB GLN 70 20.172 11.127 -6.540 549 1HG GLN 70 2HG GLN 70 21.898 10.618 -4.941 550 2HG GLN 70 1HG GLN 70 21.447 8.914 -4.939 551 1HE2 GLN 70 1HE2 GLN 70 22.975 11.472 -6.741 552 2HE2 GLN 70 2HE2 GLN 70 23.759 10.461 -7.902 553 H GLU 71 H GLU 71 16.861 10.520 -3.679 554 HA GLU 71 HA GLU 71 15.484 12.244 -5.412 555 1HB GLU 71 2HB GLU 71 15.533 10.229 -6.897 556 2HB GLU 71 1HB GLU 71 14.630 9.343 -5.677 557 1HG GLU 71 2HG GLU 71 12.710 10.710 -5.978 558 2HG GLU 71 1HG GLU 71 13.608 11.867 -6.960 559 H PHE 72 H PHE 72 15.389 9.790 -2.901 560 HA PHE 72 HA PHE 72 13.127 11.260 -1.686 561 1HB PHE 72 2HB PHE 72 13.709 8.307 -1.345 562 2HB PHE 72 1HB PHE 72 12.322 9.189 -0.717 563 HD1 PHE 72 1HD PHE 72 10.732 10.259 -2.432 564 HD2 PHE 72 2HD PHE 72 13.607 7.275 -3.426 565 HE1 PHE 72 1HE PHE 72 9.480 9.733 -4.483 566 HE2 PHE 72 2HE PHE 72 12.358 6.749 -5.476 567 HZ PHE 72 HZ PHE 72 10.295 7.977 -6.007 568 H LEU 73 H LEU 73 16.368 10.262 -1.304 569 HA LEU 73 HA LEU 73 16.169 10.444 1.639 570 1HB LEU 73 2HB LEU 73 17.940 8.588 0.044 571 2HB LEU 73 1HB LEU 73 17.829 8.665 1.795 572 HG LEU 73 HG LEU 73 15.489 7.939 0.025 573 1HD1 LEU 73 1HD1 LEU 73 15.913 5.598 0.716 574 2HD1 LEU 73 2HD1 LEU 73 17.457 6.113 1.395 575 3HD1 LEU 73 3HD1 LEU 73 17.163 6.259 -0.336 576 1HD2 LEU 73 1HD2 LEU 73 14.868 8.781 2.213 577 2HD2 LEU 73 2HD2 LEU 73 15.969 7.643 2.992 578 3HD2 LEU 73 3HD2 LEU 73 14.556 7.048 2.119 579 H SER 74 H SER 74 17.844 11.464 -1.193 580 HA SER 74 HA SER 74 20.296 12.182 0.122 581 1HB SER 74 2HB SER 74 20.734 13.347 -2.107 582 2HB SER 74 1HB SER 74 20.458 11.607 -2.187 583 HG SER 74 HG SER 74 19.210 13.363 -3.575 584 H SER 75 H SER 75 21.113 14.407 0.209 585 HA SER 75 HA SER 75 19.350 16.214 1.458 586 1HB SER 75 2HB SER 75 21.313 17.827 1.148 587 2HB SER 75 1HB SER 75 21.666 16.332 2.015 588 HG SER 75 HG SER 75 23.231 16.824 0.395 589 H GLN 76 H GLN 76 20.253 15.711 -1.837 590 HA GLN 76 HA GLN 76 18.559 17.975 -2.683 591 1HB GLN 76 2HB GLN 76 20.994 18.073 -3.367 592 2HB GLN 76 1HB GLN 76 20.733 16.607 -4.300 593 1HG GLN 76 2HG GLN 76 19.078 17.781 -5.677 594 2HG GLN 76 1HG GLN 76 19.344 19.249 -4.738 595 1HE2 GLN 76 1HE2 GLN 76 20.039 20.426 -6.499 596 2HE2 GLN 76 2HE2 GLN 76 21.571 20.161 -7.253 597 H ALA 77 H ALA 77 17.218 15.892 -1.884 598 HA ALA 77 HA ALA 77 16.885 13.825 -3.862 599 1HB ALA 77 1HB ALA 77 16.666 13.329 -1.491 600 2HB ALA 77 2HB ALA 77 15.158 12.981 -2.333 601 3HB ALA 77 3HB ALA 77 15.307 14.446 -1.364 602 H LEU 78 H LEU 78 15.496 16.892 -3.270 603 HA LEU 78 HA LEU 78 13.895 18.129 -4.287 604 1HB LEU 78 2HB LEU 78 13.754 15.749 -6.126 605 2HB LEU 78 1HB LEU 78 12.606 17.064 -6.258 606 HG LEU 78 HG LEU 78 14.494 18.639 -6.665 607 1HD1 LEU 78 1HD1 LEU 78 16.175 16.135 -6.751 608 2HD1 LEU 78 2HD1 LEU 78 16.284 17.425 -5.552 609 3HD1 LEU 78 3HD1 LEU 78 16.699 17.749 -7.235 610 1HD2 LEU 78 1HD2 LEU 78 14.946 17.908 -8.956 611 2HD2 LEU 78 2HD2 LEU 78 13.249 17.686 -8.533 612 3HD2 LEU 78 3HD2 LEU 78 14.337 16.298 -8.567 613 H SER 79 H SER 79 13.160 14.877 -3.281 614 HA SER 79 HA SER 79 10.796 15.899 -1.916 615 1HB SER 79 2HB SER 79 10.655 13.318 -3.505 616 2HB SER 79 1HB SER 79 9.334 14.149 -2.677 617 HG SER 79 HG SER 79 10.036 15.964 -4.218 618 HA PRO 80 HA PRO 80 13.580 13.156 0.602 619 1HB PRO 80 2HB PRO 80 13.434 15.241 2.646 620 2HB PRO 80 1HB PRO 80 14.851 14.611 1.800 621 1HG PRO 80 2HG PRO 80 13.887 17.121 1.400 622 2HG PRO 80 1HG PRO 80 14.724 16.198 0.138 623 1HD PRO 80 2HD PRO 80 11.775 16.614 0.542 624 2HD PRO 80 1HD PRO 80 12.724 16.657 -0.962 625 H VAL 81 H VAL 81 12.227 11.574 1.248 626 HA VAL 81 HA VAL 81 9.728 12.000 2.523 627 HB VAL 81 HB VAL 81 9.687 9.566 2.888 628 1HG1 VAL 81 1HG1 VAL 81 9.020 10.453 0.717 629 2HG1 VAL 81 2HG1 VAL 81 9.810 8.888 0.530 630 3HG1 VAL 81 3HG1 VAL 81 10.689 10.368 0.151 631 1HG2 VAL 81 1HG2 VAL 81 12.520 9.607 1.817 632 2HG2 VAL 81 2HG2 VAL 81 11.562 8.161 2.138 633 3HG2 VAL 81 3HG2 VAL 81 12.038 9.213 3.470 634 H ASN 82 H ASN 82 9.130 11.159 4.678 635 HA ASN 82 HA ASN 82 11.146 12.076 6.612 636 1HB ASN 82 2HB ASN 82 8.128 11.956 6.815 637 2HB ASN 82 1HB ASN 82 9.193 12.453 8.127 638 1HD2 ASN 82 1HD2 ASN 82 7.832 13.323 5.056 639 2HD2 ASN 82 2HD2 ASN 82 8.321 14.980 5.081 640 H ILE 83 H ILE 83 12.257 10.407 7.365 641 HA ILE 83 HA ILE 83 10.748 8.473 8.979 642 HB ILE 83 HB ILE 83 12.517 6.753 8.597 643 1HG1 ILE 83 2HG1 ILE 83 14.194 8.486 7.659 644 2HG1 ILE 83 1HG1 ILE 83 14.143 6.900 6.903 645 1HG2 ILE 83 1HG2 ILE 83 10.385 6.569 7.481 646 2HG2 ILE 83 2HG2 ILE 83 11.672 5.998 6.419 647 3HG2 ILE 83 3HG2 ILE 83 10.955 7.587 6.156 648 1HD1 ILE 83 1HD1 ILE 83 14.322 8.689 5.263 649 2HD1 ILE 83 2HD1 ILE 83 12.807 9.381 5.843 650 3HD1 ILE 83 3HD1 ILE 83 12.816 7.789 5.080 651 H ASP 84 H ASP 84 13.382 7.346 9.939 652 HA ASP 84 HA ASP 84 13.608 8.990 12.197 653 1HB ASP 84 2HB ASP 84 15.427 7.613 12.901 654 2HB ASP 84 1HB ASP 84 14.317 6.561 12.030 655 H ARG 85 H ARG 85 15.938 8.629 9.501 656 HA ARG 85 HA ARG 85 17.455 10.037 8.569 657 1HB ARG 85 2HB ARG 85 15.533 12.107 9.622 658 2HB ARG 85 1HB ARG 85 16.822 12.450 8.481 659 1HG ARG 85 2HG ARG 85 14.621 10.461 7.938 660 2HG ARG 85 1HG ARG 85 14.528 12.164 7.482 661 1HD ARG 85 2HD ARG 85 16.733 10.292 6.603 662 2HD ARG 85 1HD ARG 85 15.291 10.641 5.649 663 HE ARG 85 HE ARG 85 16.027 12.976 5.575 664 1HH1 ARG 85 1HH1 ARG 85 18.419 10.555 6.386 665 2HH1 ARG 85 2HH1 ARG 85 19.765 11.554 5.952 666 1HH2 ARG 85 1HH2 ARG 85 17.777 14.269 4.951 667 2HH2 ARG 85 2HH2 ARG 85 19.401 13.669 5.107 668 H GLN 86 H GLN 86 17.505 9.493 11.653 669 HA GLN 86 HA GLN 86 19.495 11.586 12.297 670 1HB GLN 86 2HB GLN 86 17.500 10.243 14.138 671 2HB GLN 86 1HB GLN 86 18.842 11.231 14.707 672 1HG GLN 86 2HG GLN 86 17.946 13.162 13.512 673 2HG GLN 86 1HG GLN 86 16.613 12.180 12.906 674 1HE2 GLN 86 1HE2 GLN 86 14.957 11.595 14.304 675 2HE2 GLN 86 2HE2 GLN 86 14.733 12.350 15.844 676 H ALA 87 H ALA 87 18.576 8.231 12.498 677 HA ALA 87 HA ALA 87 21.380 7.519 13.103 678 1HB ALA 87 1HB ALA 87 20.518 5.438 14.088 679 2HB ALA 87 2HB ALA 87 18.866 5.961 13.759 680 3HB ALA 87 3HB ALA 87 19.857 6.847 14.916 681 H TRP 88 H TRP 88 20.075 8.191 10.593 682 HA TRP 88 HA TRP 88 19.255 5.942 9.140 683 1HB TRP 88 2HB TRP 88 19.088 8.574 8.690 684 2HB TRP 88 1HB TRP 88 20.523 8.251 7.715 685 HD1 TRP 88 HD TRP 88 16.793 7.348 7.939 686 HE1 TRP 88 1HE TRP 88 16.025 6.491 5.639 687 HE3 TRP 88 3HE TRP 88 21.305 7.244 5.560 688 HZ2 TRP 88 2HZ TRP 88 17.179 5.843 3.161 689 HZ3 TRP 88 3HZ TRP 88 21.387 6.492 3.221 690 HH2 TRP 88 HH TRP 88 19.373 5.805 2.047 691 H LEU 89 H LEU 89 20.439 5.191 7.098 692 HA LEU 89 HA LEU 89 23.181 4.458 7.866 693 1HB LEU 89 2HB LEU 89 22.517 2.269 6.540 694 2HB LEU 89 1HB LEU 89 22.145 2.458 8.240 695 HG LEU 89 HG LEU 89 19.822 3.144 7.610 696 1HD1 LEU 89 1HD1 LEU 89 20.217 3.930 5.343 697 2HD1 LEU 89 2HD1 LEU 89 19.003 2.652 5.356 698 3HD1 LEU 89 3HD1 LEU 89 20.651 2.297 4.833 699 1HD2 LEU 89 1HD2 LEU 89 20.704 0.425 6.633 700 2HD2 LEU 89 2HD2 LEU 89 19.058 0.885 7.074 701 3HD2 LEU 89 3HD2 LEU 89 20.324 0.861 8.300 702 H GLY 90 H GLY 90 23.309 6.477 6.513 703 1HA GLY 90 2HA GLY 90 22.757 6.939 3.938 704 2HA GLY 90 1HA GLY 90 24.258 7.453 4.665 705 H GLU 91 H GLU 91 26.149 6.452 4.081 706 HA GLU 91 HA GLU 91 26.157 5.692 1.369 707 1HB GLU 91 2HB GLU 91 27.984 6.960 2.397 708 2HB GLU 91 1HB GLU 91 28.410 5.567 3.383 709 1HG GLU 91 2HG GLU 91 28.863 4.302 1.276 710 2HG GLU 91 1HG GLU 91 28.601 5.798 0.383 711 H GLU 92 H GLU 92 26.061 3.732 4.239 712 HA GLU 92 HA GLU 92 27.601 1.568 3.289 713 1HB GLU 92 2HB GLU 92 26.716 0.308 5.178 714 2HB GLU 92 1HB GLU 92 27.203 1.921 5.678 715 1HG GLU 92 2HG GLU 92 24.915 2.647 5.769 716 2HG GLU 92 1HG GLU 92 24.359 1.122 5.080 717 H VAL 93 H VAL 93 24.231 2.425 2.942 718 HA VAL 93 HA VAL 93 23.453 -0.179 2.042 719 HB VAL 93 HB VAL 93 21.822 1.332 3.116 720 1HG1 VAL 93 1HG1 VAL 93 20.835 3.191 1.870 721 2HG1 VAL 93 2HG1 VAL 93 22.006 2.950 0.574 722 3HG1 VAL 93 3HG1 VAL 93 22.552 3.455 2.173 723 1HG2 VAL 93 1HG2 VAL 93 21.043 -0.504 1.695 724 2HG2 VAL 93 2HG2 VAL 93 21.068 0.565 0.292 725 3HG2 VAL 93 3HG2 VAL 93 19.949 0.876 1.620 726 H LEU 94 H LEU 94 24.834 2.623 0.568 727 HA LEU 94 HA LEU 94 24.226 1.711 -2.137 728 1HB LEU 94 2HB LEU 94 25.975 4.006 -1.216 729 2HB LEU 94 1HB LEU 94 25.572 3.644 -2.882 730 HG LEU 94 HG LEU 94 24.156 5.408 -2.371 731 1HD1 LEU 94 1HD1 LEU 94 22.911 3.561 -3.365 732 2HD1 LEU 94 2HD1 LEU 94 21.893 4.529 -2.300 733 3HD1 LEU 94 3HD1 LEU 94 22.498 2.964 -1.757 734 1HD2 LEU 94 1HD2 LEU 94 23.593 4.134 0.304 735 2HD2 LEU 94 2HD2 LEU 94 22.866 5.624 -0.298 736 3HD2 LEU 94 3HD2 LEU 94 24.601 5.550 0.005 737 H ALA 95 H ALA 95 26.702 1.471 0.241 738 HA ALA 95 HA ALA 95 28.889 0.810 -1.441 739 1HB ALA 95 1HB ALA 95 29.178 1.559 0.881 740 2HB ALA 95 2HB ALA 95 29.966 0.007 0.598 741 3HB ALA 95 3HB ALA 95 28.425 0.070 1.453 742 H GLU 96 H GLU 96 27.075 -1.344 0.757 743 HA GLU 96 HA GLU 96 27.084 -3.404 -1.342 744 1HB GLU 96 2HB GLU 96 27.811 -3.842 1.567 745 2HB GLU 96 1HB GLU 96 27.480 -5.137 0.424 746 1HG GLU 96 2HG GLU 96 29.371 -4.267 -0.975 747 2HG GLU 96 1HG GLU 96 29.754 -3.164 0.346 748 HA PRO 97 HA PRO 97 22.805 -2.877 0.186 749 1HB PRO 97 2HB PRO 97 21.612 -3.436 -2.182 750 2HB PRO 97 1HB PRO 97 22.283 -1.841 -1.818 751 1HG PRO 97 2HG PRO 97 23.490 -4.083 -3.405 752 2HG PRO 97 1HG PRO 97 23.439 -2.350 -3.782 753 1HD PRO 97 2HD PRO 97 25.629 -3.553 -2.718 754 2HD PRO 97 1HD PRO 97 25.206 -1.863 -2.373 755 H ARG 98 H ARG 98 20.957 -4.398 0.096 756 HA ARG 98 HA ARG 98 21.666 -7.214 -0.318 757 1HB ARG 98 2HB ARG 98 21.085 -7.863 1.892 758 2HB ARG 98 1HB ARG 98 22.103 -6.443 2.111 759 1HG ARG 98 2HG ARG 98 19.934 -5.095 2.213 760 2HG ARG 98 1HG ARG 98 19.112 -6.646 2.359 761 1HD ARG 98 2HD ARG 98 21.288 -5.702 4.222 762 2HD ARG 98 1HD ARG 98 19.565 -5.523 4.537 763 HE ARG 98 HE ARG 98 21.113 -8.012 4.556 764 1HH1 ARG 98 1HH1 ARG 98 17.979 -6.460 4.874 765 2HH1 ARG 98 2HH1 ARG 98 17.288 -7.763 5.786 766 1HH2 ARG 98 1HH2 ARG 98 20.200 -9.716 5.775 767 2HH2 ARG 98 2HH2 ARG 98 18.547 -9.612 6.293 768 HA PRO 99 HA PRO 99 17.326 -7.355 -1.534 769 1HB PRO 99 2HB PRO 99 16.627 -9.861 -0.628 770 2HB PRO 99 1HB PRO 99 17.474 -9.565 -2.150 771 1HG PRO 99 2HG PRO 99 18.575 -10.415 0.499 772 2HG PRO 99 1HG PRO 99 19.017 -10.963 -1.128 773 1HD PRO 99 2HD PRO 99 20.520 -9.187 0.254 774 2HD PRO 99 1HD PRO 99 20.377 -9.127 -1.516 775 H ASP 100 H ASP 100 16.608 -5.783 -0.168 776 HA ASP 100 HA ASP 100 14.890 -5.100 1.205 777 1HB ASP 100 2HB ASP 100 15.250 -7.765 2.589 778 2HB ASP 100 1HB ASP 100 14.225 -6.493 3.240 779 H MET 101 H MET 101 16.404 -3.479 1.578 780 HA MET 101 HA MET 101 17.520 -3.570 4.306 781 1HB MET 101 2HB MET 101 19.237 -3.585 2.410 782 2HB MET 101 1HB MET 101 18.715 -1.949 2.050 783 1HG MET 101 2HG MET 101 19.463 -1.161 4.177 784 2HG MET 101 1HG MET 101 19.763 -2.804 4.743 785 1HE MET 101 1HE MET 101 21.919 -0.483 5.007 786 2HE MET 101 2HE MET 101 23.381 -1.326 4.497 787 3HE MET 101 3HE MET 101 22.212 -2.143 5.531 788 H PHE 102 H PHE 102 15.563 -1.984 2.003 789 HA PHE 102 HA PHE 102 15.241 0.378 3.724 790 1HB PHE 102 2HB PHE 102 14.277 -0.164 0.900 791 2HB PHE 102 1HB PHE 102 13.935 1.304 1.806 792 HD1 PHE 102 1HD PHE 102 15.838 2.816 2.444 793 HD2 PHE 102 2HD PHE 102 16.305 -0.429 -0.279 794 HE1 PHE 102 1HE PHE 102 17.902 3.838 1.583 795 HE2 PHE 102 2HE PHE 102 18.371 0.591 -1.142 796 HZ PHE 102 HZ PHE 102 19.171 2.726 -0.212 797 H ARG 103 H ARG 103 14.118 -2.547 3.891 798 HA ARG 103 HA ARG 103 11.361 -2.422 3.237 799 1HB ARG 103 2HB ARG 103 12.703 -4.516 3.382 800 2HB ARG 103 1HB ARG 103 12.757 -4.328 5.129 801 1HG ARG 103 2HG ARG 103 10.349 -4.590 5.268 802 2HG ARG 103 1HG ARG 103 10.234 -4.672 3.508 803 1HD ARG 103 2HD ARG 103 11.700 -6.691 3.573 804 2HD ARG 103 1HD ARG 103 11.620 -6.637 5.334 805 HE ARG 103 HE ARG 103 9.178 -6.965 5.088 806 1HH1 ARG 103 1HH1 ARG 103 11.245 -7.820 2.394 807 2HH1 ARG 103 2HH1 ARG 103 10.206 -9.094 1.838 808 1HH2 ARG 103 1HH2 ARG 103 7.801 -8.622 4.344 809 2HH2 ARG 103 2HH2 ARG 103 8.241 -9.544 2.941 810 H ALA 104 H ALA 104 13.083 -2.234 6.353 811 HA ALA 104 HA ALA 104 10.812 -1.855 7.978 812 1HB ALA 104 1HB ALA 104 12.378 -1.012 9.667 813 2HB ALA 104 2HB ALA 104 13.639 -0.878 8.441 814 3HB ALA 104 3HB ALA 104 13.008 -2.463 8.888 815 H GLN 105 H GLN 105 13.017 0.448 6.470 816 HA GLN 105 HA GLN 105 11.844 2.839 7.367 817 1HB GLN 105 2HB GLN 105 14.110 2.476 6.283 818 2HB GLN 105 1HB GLN 105 13.276 2.404 4.738 819 1HG GLN 105 2HG GLN 105 12.486 4.679 5.035 820 2HG GLN 105 1HG GLN 105 13.250 4.756 6.626 821 1HE2 GLN 105 1HE2 GLN 105 15.611 3.249 5.726 822 2HE2 GLN 105 2HE2 GLN 105 16.533 4.352 4.771 823 H GLN 106 H GLN 106 11.216 0.787 4.593 824 HA GLN 106 HA GLN 106 9.368 2.389 3.208 825 1HB GLN 106 2HB GLN 106 10.379 0.460 2.151 826 2HB GLN 106 1HB GLN 106 9.718 -0.617 3.371 827 1HG GLN 106 2HG GLN 106 7.441 -0.063 2.558 828 2HG GLN 106 1HG GLN 106 8.174 0.901 1.278 829 1HE2 GLN 106 1HE2 GLN 106 7.256 -0.389 -0.326 830 2HE2 GLN 106 2HE2 GLN 106 7.821 -1.985 -0.661 831 H LEU 107 H LEU 107 8.950 -0.129 5.668 832 HA LEU 107 HA LEU 107 6.123 -0.018 5.699 833 1HB LEU 107 2HB LEU 107 7.603 -1.896 6.565 834 2HB LEU 107 1HB LEU 107 7.884 -0.904 7.985 835 HG LEU 107 HG LEU 107 5.380 -0.889 8.346 836 1HD1 LEU 107 1HD1 LEU 107 4.688 -1.481 6.093 837 2HD1 LEU 107 2HD1 LEU 107 4.056 -2.627 7.272 838 3HD1 LEU 107 3HD1 LEU 107 5.436 -3.069 6.266 839 1HD2 LEU 107 1HD2 LEU 107 6.768 -3.571 8.430 840 2HD2 LEU 107 2HD2 LEU 107 5.331 -3.121 9.349 841 3HD2 LEU 107 3HD2 LEU 107 6.866 -2.312 9.662 842 H GLN 108 H GLN 108 8.612 1.849 7.291 843 HA GLN 108 HA GLN 108 6.995 3.025 9.292 844 1HB GLN 108 2HB GLN 108 9.493 3.138 9.260 845 2HB GLN 108 1HB GLN 108 9.397 4.276 7.918 846 1HG GLN 108 2HG GLN 108 8.269 5.894 9.298 847 2HG GLN 108 1HG GLN 108 8.155 4.743 10.628 848 1HE2 GLN 108 1HE2 GLN 108 9.361 7.382 10.593 849 2HE2 GLN 108 2HE2 GLN 108 11.010 7.158 11.065 850 H ILE 109 H ILE 109 7.786 4.017 5.973 851 HA ILE 109 HA ILE 109 6.140 6.308 5.879 852 HB ILE 109 HB ILE 109 7.639 4.693 3.963 853 1HG1 ILE 109 2HG1 ILE 109 7.930 6.882 2.843 854 2HG1 ILE 109 1HG1 ILE 109 6.718 7.583 3.908 855 1HG2 ILE 109 1HG2 ILE 109 5.478 4.141 3.005 856 2HG2 ILE 109 2HG2 ILE 109 6.355 5.240 1.943 857 3HG2 ILE 109 3HG2 ILE 109 5.040 5.849 2.947 858 1HD1 ILE 109 1HD1 ILE 109 9.362 6.433 4.772 859 2HD1 ILE 109 2HD1 ILE 109 8.153 7.167 5.828 860 3HD1 ILE 109 3HD1 ILE 109 8.973 8.146 4.612 861 H PHE 110 H PHE 110 5.529 2.909 5.163 862 HA PHE 110 HA PHE 110 2.940 3.027 4.203 863 1HB PHE 110 2HB PHE 110 4.215 0.954 4.228 864 2HB PHE 110 1HB PHE 110 4.229 0.937 5.986 865 HD1 PHE 110 1HD PHE 110 2.300 0.193 7.237 866 HD2 PHE 110 2HD PHE 110 2.193 0.413 2.989 867 HE1 PHE 110 1HE PHE 110 0.229 -1.130 7.221 868 HE2 PHE 110 2HE PHE 110 0.122 -0.909 2.969 869 HZ PHE 110 HZ PHE 110 -0.866 -1.676 5.088 870 H ASN 111 H ASN 111 3.981 2.719 7.594 871 HA ASN 111 HA ASN 111 1.341 2.931 8.661 872 1HB ASN 111 2HB ASN 111 4.087 3.097 9.907 873 2HB ASN 111 1HB ASN 111 2.624 3.354 10.853 874 1HD2 ASN 111 1HD2 ASN 111 4.547 1.027 9.125 875 2HD2 ASN 111 2HD2 ASN 111 3.733 -0.377 9.717 876 H LEU 112 H LEU 112 3.823 5.201 7.803 877 HA LEU 112 HA LEU 112 3.037 7.400 9.357 878 1HB LEU 112 2HB LEU 112 5.184 7.233 8.137 879 2HB LEU 112 1HB LEU 112 4.326 7.392 6.618 880 HG LEU 112 HG LEU 112 3.604 9.675 7.293 881 1HD1 LEU 112 1HD1 LEU 112 3.673 9.410 9.710 882 2HD1 LEU 112 2HD1 LEU 112 4.688 10.761 9.205 883 3HD1 LEU 112 3HD1 LEU 112 5.425 9.223 9.659 884 1HD2 LEU 112 1HD2 LEU 112 5.792 10.745 6.993 885 2HD2 LEU 112 2HD2 LEU 112 5.578 9.382 5.895 886 3HD2 LEU 112 3HD2 LEU 112 6.591 9.208 7.330 887 H MET 113 H MET 113 1.763 6.091 6.380 888 HA MET 113 HA MET 113 -0.171 8.326 6.234 889 1HB MET 113 2HB MET 113 -0.387 7.787 3.825 890 2HB MET 113 1HB MET 113 1.243 8.270 4.269 891 1HG MET 113 2HG MET 113 1.901 5.893 4.314 892 2HG MET 113 1HG MET 113 0.278 5.458 3.780 893 1HE MET 113 1HE MET 113 2.549 4.826 0.616 894 2HE MET 113 2HE MET 113 1.423 4.095 1.761 895 3HE MET 113 3HE MET 113 3.022 4.612 2.302 896 H LYS 114 H LYS 114 -0.070 5.414 7.501 897 HA LYS 114 HA LYS 114 -2.287 4.109 6.176 898 1HB LYS 114 2HB LYS 114 -0.379 2.854 7.189 899 2HB LYS 114 1HB LYS 114 -0.932 3.360 8.778 900 1HG LYS 114 2HG LYS 114 -3.058 2.176 8.402 901 2HG LYS 114 1HG LYS 114 -2.471 1.646 6.825 902 1HD LYS 114 2HD LYS 114 -0.591 0.487 7.975 903 2HD LYS 114 1HD LYS 114 -1.304 0.940 9.524 904 1HE LYS 114 2HE LYS 114 -3.332 -0.319 8.957 905 2HE LYS 114 1HE LYS 114 -2.628 -0.759 7.401 906 1HZ LYS 114 1HZ LYS 114 -0.857 -1.921 8.601 907 2HZ LYS 114 2HZ LYS 114 -2.380 -2.547 8.976 908 3HZ LYS 114 3HZ LYS 114 -1.593 -1.533 10.074 909 H PHE 115 H PHE 115 -2.063 6.538 8.525 910 HA PHE 115 HA PHE 115 -4.734 5.857 9.581 911 1HB PHE 115 2HB PHE 115 -2.831 5.275 11.166 912 2HB PHE 115 1HB PHE 115 -2.500 6.999 11.278 913 HD1 PHE 115 1HD PHE 115 -5.324 4.584 11.666 914 HD2 PHE 115 2HD PHE 115 -3.498 8.197 13.004 915 HE1 PHE 115 1HE PHE 115 -6.995 4.764 13.462 916 HE2 PHE 115 2HE PHE 115 -5.169 8.376 14.801 917 HZ PHE 115 HZ PHE 115 -6.920 6.661 15.031 918 H ASP 116 H ASP 116 -3.798 7.786 7.498 919 HA ASP 116 HA ASP 116 -5.394 9.998 8.350 920 1HB ASP 116 2HB ASP 116 -3.741 11.770 8.234 921 2HB ASP 116 1HB ASP 116 -3.250 10.596 9.449 922 H SER 117 H SER 117 -2.776 9.312 5.980 923 HA SER 117 HA SER 117 -4.110 10.623 3.841 924 1HB SER 117 2HB SER 117 -1.660 10.206 3.870 925 2HB SER 117 1HB SER 117 -1.965 8.477 3.726 926 HG SER 117 HG SER 117 -2.787 10.436 1.843 927 H TYR 118 H TYR 118 -3.897 7.313 4.972 928 HA TYR 118 HA TYR 118 -5.495 5.955 3.180 929 1HB TYR 118 2HB TYR 118 -4.356 4.840 4.994 930 2HB TYR 118 1HB TYR 118 -5.281 5.733 6.190 931 HD1 TYR 118 1HD TYR 118 -6.837 4.470 7.313 932 HD2 TYR 118 2HD TYR 118 -6.053 3.554 3.229 933 HE1 TYR 118 1HE TYR 118 -8.435 2.612 7.429 934 HE2 TYR 118 2HE TYR 118 -7.649 1.688 3.335 935 HH TYR 118 HH TYR 118 -9.845 1.283 5.860 936 H ALA 119 H ALA 119 -6.529 7.793 6.057 937 HA ALA 119 HA ALA 119 -9.315 7.443 5.653 938 1HB ALA 119 1HB ALA 119 -9.591 9.230 7.305 939 2HB ALA 119 2HB ALA 119 -7.882 9.641 7.161 940 3HB ALA 119 3HB ALA 119 -8.361 8.079 7.827 941 H ARG 120 H ARG 120 -7.047 9.961 4.746 942 HA ARG 120 HA ARG 120 -8.634 11.931 3.691 943 1HB ARG 120 2HB ARG 120 -6.241 12.169 3.898 944 2HB ARG 120 1HB ARG 120 -5.959 10.847 2.781 945 1HG ARG 120 2HG ARG 120 -5.460 12.868 1.652 946 2HG ARG 120 1HG ARG 120 -6.965 12.247 0.978 947 1HD ARG 120 2HD ARG 120 -8.258 13.860 2.144 948 2HD ARG 120 1HD ARG 120 -6.888 14.332 3.152 949 HE ARG 120 HE ARG 120 -5.886 15.012 0.845 950 1HH1 ARG 120 1HH1 ARG 120 -9.228 15.356 1.812 951 2HH1 ARG 120 2HH1 ARG 120 -9.511 16.744 0.819 952 1HH2 ARG 120 1HH2 ARG 120 -6.218 16.816 -0.452 953 2HH2 ARG 120 2HH2 ARG 120 -7.774 17.593 -0.476 954 H PHE 121 H PHE 121 -7.291 9.138 1.935 955 HA PHE 121 HA PHE 121 -8.504 9.761 -0.528 956 1HB PHE 121 2HB PHE 121 -6.558 8.273 -0.330 957 2HB PHE 121 1HB PHE 121 -7.553 7.073 0.489 958 HD1 PHE 121 1HD PHE 121 -7.217 8.935 -2.713 959 HD2 PHE 121 2HD PHE 121 -8.718 5.464 -0.751 960 HE1 PHE 121 1HE PHE 121 -7.832 7.972 -4.890 961 HE2 PHE 121 2HE PHE 121 -9.332 4.501 -2.925 962 HZ PHE 121 HZ PHE 121 -8.892 5.750 -4.997 963 H VAL 122 H VAL 122 -9.491 7.450 2.014 964 HA VAL 122 HA VAL 122 -11.705 6.456 0.543 965 HB VAL 122 HB VAL 122 -12.438 5.366 2.595 966 1HG1 VAL 122 1HG1 VAL 122 -10.645 4.324 1.323 967 2HG1 VAL 122 2HG1 VAL 122 -10.425 4.032 3.049 968 3HG1 VAL 122 3HG1 VAL 122 -9.441 5.243 2.228 969 1HG2 VAL 122 1HG2 VAL 122 -12.021 7.167 4.193 970 2HG2 VAL 122 2HG2 VAL 122 -10.282 6.962 3.988 971 3HG2 VAL 122 3HG2 VAL 122 -11.239 5.673 4.715 972 H LYS 123 H LYS 123 -11.325 9.275 2.544 973 HA LYS 123 HA LYS 123 -14.121 9.733 2.983 974 1HB LYS 123 2HB LYS 123 -11.709 11.548 3.135 975 2HB LYS 123 1HB LYS 123 -13.341 12.133 3.425 976 1HG LYS 123 2HG LYS 123 -11.871 10.030 5.008 977 2HG LYS 123 1HG LYS 123 -12.254 11.675 5.522 978 1HD LYS 123 2HD LYS 123 -14.685 11.096 5.271 979 2HD LYS 123 1HD LYS 123 -14.196 9.424 4.978 980 1HE LYS 123 2HE LYS 123 -14.778 9.595 7.278 981 2HE LYS 123 1HE LYS 123 -13.022 9.480 7.194 982 1HZ LYS 123 1HZ LYS 123 -12.863 11.851 7.518 983 2HZ LYS 123 2HZ LYS 123 -13.778 11.170 8.768 984 3HZ LYS 123 3HZ LYS 123 -14.549 12.008 7.518 985 H SER 124 H SER 124 -11.798 10.622 0.525 986 HA SER 124 HA SER 124 -13.225 12.637 -0.777 987 1HB SER 124 2HB SER 124 -11.281 10.653 -1.987 988 2HB SER 124 1HB SER 124 -11.713 12.231 -2.651 989 HG SER 124 HG SER 124 -10.284 11.652 -0.277 990 HA PRO 125 HA PRO 125 -16.624 10.628 -2.815 991 1HB PRO 125 2HB PRO 125 -16.709 12.175 -5.114 992 2HB PRO 125 1HB PRO 125 -17.417 12.642 -3.565 993 1HG PRO 125 2HG PRO 125 -14.781 13.424 -4.755 994 2HG PRO 125 1HG PRO 125 -15.956 14.423 -3.877 995 1HD PRO 125 2HD PRO 125 -13.740 13.520 -2.676 996 2HD PRO 125 1HD PRO 125 -15.283 13.611 -1.800 997 H LEU 126 H LEU 126 -13.514 10.987 -4.254 998 HA LEU 126 HA LEU 126 -13.712 9.567 -6.622 999 1HB LEU 126 2HB LEU 126 -11.714 10.808 -5.612 1000 2HB LEU 126 1HB LEU 126 -11.400 9.360 -4.681 1001 HG LEU 126 HG LEU 126 -11.454 9.391 -7.708 1002 1HD1 LEU 126 1HD1 LEU 126 -9.014 9.473 -7.630 1003 2HD1 LEU 126 2HD1 LEU 126 -9.065 9.646 -5.875 1004 3HD1 LEU 126 3HD1 LEU 126 -9.719 10.920 -6.906 1005 1HD2 LEU 126 1HD2 LEU 126 -11.758 7.183 -6.722 1006 2HD2 LEU 126 2HD2 LEU 126 -10.325 7.412 -5.721 1007 3HD2 LEU 126 3HD2 LEU 126 -10.169 7.307 -7.474 1008 H TYR 127 H TYR 127 -13.388 8.405 -3.296 1009 HA TYR 127 HA TYR 127 -13.099 5.659 -3.907 1010 1HB TYR 127 2HB TYR 127 -12.544 6.657 -1.697 1011 2HB TYR 127 1HB TYR 127 -14.260 6.916 -1.401 1012 HD1 TYR 127 1HD TYR 127 -14.961 5.473 0.286 1013 HD2 TYR 127 2HD TYR 127 -12.335 3.981 -2.719 1014 HE1 TYR 127 1HE TYR 127 -15.113 3.224 1.272 1015 HE2 TYR 127 2HE TYR 127 -12.488 1.729 -1.742 1016 HH TYR 127 HH TYR 127 -14.788 0.923 0.685 1017 H ARG 128 H ARG 128 -15.898 7.746 -3.466 1018 HA ARG 128 HA ARG 128 -17.873 5.696 -3.407 1019 1HB ARG 128 2HB ARG 128 -18.236 8.539 -4.393 1020 2HB ARG 128 1HB ARG 128 -19.486 7.456 -3.799 1021 1HG ARG 128 2HG ARG 128 -17.251 8.661 -2.174 1022 2HG ARG 128 1HG ARG 128 -18.945 9.143 -2.146 1023 1HD ARG 128 2HD ARG 128 -19.538 6.880 -1.333 1024 2HD ARG 128 1HD ARG 128 -17.821 6.474 -1.286 1025 HE ARG 128 HE ARG 128 -19.283 8.156 0.567 1026 1HH1 ARG 128 1HH1 ARG 128 -16.141 7.179 -0.615 1027 2HH1 ARG 128 2HH1 ARG 128 -15.291 7.743 0.781 1028 1HH2 ARG 128 1HH2 ARG 128 -18.179 8.913 2.408 1029 2HH2 ARG 128 2HH2 ARG 128 -16.456 8.729 2.513 1030 H GLU 129 H GLU 129 -16.438 7.671 -5.939 1031 HA GLU 129 HA GLU 129 -17.910 6.940 -8.155 1032 1HB GLU 129 2HB GLU 129 -16.101 8.650 -8.124 1033 2HB GLU 129 1HB GLU 129 -14.908 7.364 -8.015 1034 1HG GLU 129 2HG GLU 129 -15.873 6.504 -10.215 1035 2HG GLU 129 1HG GLU 129 -16.700 8.057 -10.325 1036 H CYS 130 H CYS 130 -15.059 5.348 -6.776 1037 HA CYS 130 HA CYS 130 -14.873 3.283 -8.681 1038 1HB CYS 130 2HB CYS 130 -13.897 3.317 -5.814 1039 2HB CYS 130 1HB CYS 130 -13.341 2.227 -7.081 1040 HG CYS 130 HG CYS 130 -12.975 5.620 -7.310 1041 H LEU 131 H LEU 131 -16.510 3.476 -5.540 1042 HA LEU 131 HA LEU 131 -17.187 0.759 -5.298 1043 1HB LEU 131 2HB LEU 131 -18.086 3.288 -4.042 1044 2HB LEU 131 1HB LEU 131 -19.219 1.954 -3.956 1045 HG LEU 131 HG LEU 131 -17.583 0.571 -2.806 1046 1HD1 LEU 131 1HD1 LEU 131 -15.720 2.933 -2.990 1047 2HD1 LEU 131 2HD1 LEU 131 -15.560 1.422 -3.884 1048 3HD1 LEU 131 3HD1 LEU 131 -15.418 1.425 -2.127 1049 1HD2 LEU 131 1HD2 LEU 131 -19.013 2.016 -1.456 1050 2HD2 LEU 131 2HD2 LEU 131 -17.825 3.317 -1.564 1051 3HD2 LEU 131 3HD2 LEU 131 -17.427 1.826 -0.708 1052 H LEU 132 H LEU 132 -18.820 3.412 -6.943 1053 HA LEU 132 HA LEU 132 -21.000 1.592 -7.717 1054 1HB LEU 132 2HB LEU 132 -20.774 4.596 -7.980 1055 2HB LEU 132 1HB LEU 132 -22.170 3.642 -8.449 1056 HG LEU 132 HG LEU 132 -21.116 3.949 -5.627 1057 1HD1 LEU 132 1HD1 LEU 132 -23.596 5.075 -6.931 1058 2HD1 LEU 132 2HD1 LEU 132 -22.166 5.989 -6.449 1059 3HD1 LEU 132 3HD1 LEU 132 -23.172 5.215 -5.225 1060 1HD2 LEU 132 1HD2 LEU 132 -23.155 2.759 -4.957 1061 2HD2 LEU 132 2HD2 LEU 132 -22.113 1.753 -5.962 1062 3HD2 LEU 132 3HD2 LEU 132 -23.557 2.494 -6.654 1063 H ALA 133 H ALA 133 -18.082 2.279 -8.840 1064 HA ALA 133 HA ALA 133 -17.011 2.030 -10.816 1065 1HB ALA 133 1HB ALA 133 -18.479 0.094 -11.156 1066 2HB ALA 133 2HB ALA 133 -18.124 0.910 -12.678 1067 3HB ALA 133 3HB ALA 133 -19.690 1.139 -11.897 1068 H GLU 134 H GLU 134 -20.199 3.080 -12.007 1069 HA GLU 134 HA GLU 134 -18.925 5.531 -13.048 1070 1HB GLU 134 2HB GLU 134 -21.375 4.102 -14.120 1071 2HB GLU 134 1HB GLU 134 -20.643 5.553 -14.795 1072 1HG GLU 134 2HG GLU 134 -18.592 4.255 -15.274 1073 2HG GLU 134 1HG GLU 134 -19.402 2.805 -14.679 1074 H ALA 135 H ALA 135 -19.311 6.834 -11.287 1075 HA ALA 135 HA ALA 135 -21.930 7.943 -11.050 1076 1HB ALA 135 1HB ALA 135 -22.227 5.985 -9.601 1077 2HB ALA 135 2HB ALA 135 -22.272 7.482 -8.670 1078 3HB ALA 135 3HB ALA 135 -20.825 6.471 -8.648 1079 H GLU 136 H GLU 136 -21.775 9.992 -10.479 1080 HA GLU 136 HA GLU 136 -20.985 11.998 -9.826 1081 1HB GLU 136 2HB GLU 136 -19.307 10.309 -7.961 1082 2HB GLU 136 1HB GLU 136 -19.361 12.066 -7.904 1083 1HG GLU 136 2HG GLU 136 -21.724 12.016 -7.385 1084 2HG GLU 136 1HG GLU 136 -21.750 10.262 -7.557 Start of MODEL 20 1 1H SER 1 1HT SER 1 -24.111 -17.515 0.485 2 2H SER 1 2HT SER 1 -23.279 -16.041 0.433 3 3H SER 1 3HT SER 1 -23.239 -17.080 -0.897 4 HA SER 1 HA SER 1 -25.561 -16.780 -1.298 5 1HB SER 1 2HB SER 1 -26.167 -16.437 1.107 6 2HB SER 1 1HB SER 1 -25.473 -14.820 1.022 7 HG SER 1 HG SER 1 -27.760 -14.861 0.696 8 H MET 2 H MET 2 -26.064 -15.294 -2.877 9 HA MET 2 HA MET 2 -25.658 -13.769 -4.497 10 1HB MET 2 2HB MET 2 -24.416 -12.233 -2.204 11 2HB MET 2 1HB MET 2 -24.565 -11.578 -3.827 12 1HG MET 2 2HG MET 2 -26.378 -10.704 -2.635 13 2HG MET 2 1HG MET 2 -27.058 -12.000 -3.615 14 1HE MET 2 1HE MET 2 -25.010 -12.137 -0.214 15 2HE MET 2 2HE MET 2 -26.345 -12.202 0.938 16 3HE MET 2 3HE MET 2 -26.104 -10.762 -0.050 17 H THR 3 H THR 3 -23.669 -12.324 -5.397 18 HA THR 3 HA THR 3 -21.145 -13.781 -5.128 19 HB THR 3 HB THR 3 -22.447 -13.282 -7.826 20 HG1 THR 3 1HG THR 3 -22.948 -15.426 -7.852 21 1HG2 THR 3 1HG2 THR 3 -19.932 -14.798 -7.083 22 2HG2 THR 3 2HG2 THR 3 -19.989 -13.227 -7.882 23 3HG2 THR 3 3HG2 THR 3 -20.611 -14.657 -8.706 24 H GLU 4 H GLU 4 -19.343 -12.523 -5.666 25 HA GLU 4 HA GLU 4 -19.818 -9.765 -6.557 26 1HB GLU 4 2HB GLU 4 -18.201 -8.958 -4.837 27 2HB GLU 4 1HB GLU 4 -19.682 -9.610 -4.151 28 1HG GLU 4 2HG GLU 4 -18.440 -11.773 -3.790 29 2HG GLU 4 1HG GLU 4 -16.968 -10.912 -4.241 30 H GLU 5 H GLU 5 -18.279 -8.956 -7.876 31 HA GLU 5 HA GLU 5 -16.296 -10.797 -8.924 32 1HB GLU 5 2HB GLU 5 -16.724 -7.907 -9.728 33 2HB GLU 5 1HB GLU 5 -15.902 -9.157 -10.649 34 1HG GLU 5 2HG GLU 5 -17.974 -8.865 -11.701 35 2HG GLU 5 1HG GLU 5 -18.141 -10.350 -10.763 36 H GLN 6 H GLN 6 -16.203 -7.415 -7.852 37 HA GLN 6 HA GLN 6 -14.028 -7.817 -6.056 38 1HB GLN 6 2HB GLN 6 -12.972 -7.809 -8.424 39 2HB GLN 6 1HB GLN 6 -13.369 -6.099 -8.461 40 1HG GLN 6 2HG GLN 6 -11.718 -7.305 -6.255 41 2HG GLN 6 1HG GLN 6 -11.005 -6.769 -7.771 42 1HE2 GLN 6 1HE2 GLN 6 -12.776 -4.483 -8.072 43 2HE2 GLN 6 2HE2 GLN 6 -12.245 -3.319 -6.911 44 HA PRO 7 HA PRO 7 -16.776 -4.265 -5.094 45 1HB PRO 7 2HB PRO 7 -16.136 -5.038 -2.322 46 2HB PRO 7 1HB PRO 7 -17.712 -4.878 -3.101 47 1HG PRO 7 2HG PRO 7 -16.696 -7.280 -2.435 48 2HG PRO 7 1HG PRO 7 -17.695 -7.054 -3.885 49 1HD PRO 7 2HD PRO 7 -14.706 -7.263 -3.655 50 2HD PRO 7 1HD PRO 7 -15.798 -8.000 -4.849 51 H VAL 8 H VAL 8 -15.803 -2.345 -5.260 52 HA VAL 8 HA VAL 8 -13.126 -1.791 -4.689 53 HB VAL 8 HB VAL 8 -13.737 0.614 -4.844 54 1HG1 VAL 8 1HG1 VAL 8 -14.995 -1.143 -6.957 55 2HG1 VAL 8 2HG1 VAL 8 -13.300 -0.662 -6.875 56 3HG1 VAL 8 3HG1 VAL 8 -14.548 0.551 -7.158 57 1HG2 VAL 8 1HG2 VAL 8 -15.899 0.542 -3.716 58 2HG2 VAL 8 2HG2 VAL 8 -16.572 -0.425 -5.029 59 3HG2 VAL 8 3HG2 VAL 8 -16.067 1.239 -5.328 60 H ALA 9 H ALA 9 -15.930 -1.719 -2.623 61 HA ALA 9 HA ALA 9 -15.037 -0.102 -0.534 62 1HB ALA 9 1HB ALA 9 -16.647 -1.299 0.867 63 2HB ALA 9 2HB ALA 9 -16.782 -2.563 -0.356 64 3HB ALA 9 3HB ALA 9 -17.335 -0.927 -0.714 65 H SER 10 H SER 10 -13.972 -3.226 -1.513 66 HA SER 10 HA SER 10 -13.040 -4.246 0.944 67 1HB SER 10 2HB SER 10 -11.991 -4.832 -1.839 68 2HB SER 10 1HB SER 10 -11.766 -5.833 -0.404 69 HG SER 10 HG SER 10 -13.991 -5.517 -2.026 70 H TRP 11 H TRP 11 -11.851 -1.682 -0.997 71 HA TRP 11 HA TRP 11 -9.088 -1.832 -0.389 72 1HB TRP 11 2HB TRP 11 -10.742 0.675 -0.806 73 2HB TRP 11 1HB TRP 11 -8.992 0.553 -0.919 74 HD1 TRP 11 HD TRP 11 -9.534 -2.350 -2.729 75 HE1 TRP 11 1HE TRP 11 -9.960 -1.954 -5.243 76 HE3 TRP 11 3HE TRP 11 -10.738 2.606 -2.575 77 HZ2 TRP 11 2HZ TRP 11 -10.704 0.186 -6.930 78 HZ3 TRP 11 3HZ TRP 11 -11.293 3.763 -4.664 79 HH2 TRP 11 HH TRP 11 -11.276 2.576 -6.807 80 H ALA 12 H ALA 12 -11.879 -0.629 1.344 81 HA ALA 12 HA ALA 12 -10.449 0.990 3.213 82 1HB ALA 12 1HB ALA 12 -12.599 1.226 4.344 83 2HB ALA 12 2HB ALA 12 -13.274 -0.068 3.350 84 3HB ALA 12 3HB ALA 12 -12.774 1.450 2.603 85 H LEU 13 H LEU 13 -10.614 -2.301 2.923 86 HA LEU 13 HA LEU 13 -10.782 -2.980 5.723 87 1HB LEU 13 2HB LEU 13 -9.921 -4.661 3.356 88 2HB LEU 13 1HB LEU 13 -10.239 -5.265 4.972 89 HG LEU 13 HG LEU 13 -12.279 -4.034 3.105 90 1HD1 LEU 13 1HD1 LEU 13 -13.236 -6.287 3.039 91 2HD1 LEU 13 2HD1 LEU 13 -11.903 -6.884 4.029 92 3HD1 LEU 13 3HD1 LEU 13 -11.589 -6.260 2.409 93 1HD2 LEU 13 1HD2 LEU 13 -12.788 -3.503 5.432 94 2HD2 LEU 13 2HD2 LEU 13 -12.638 -5.206 5.869 95 3HD2 LEU 13 3HD2 LEU 13 -13.935 -4.682 4.794 96 H SER 14 H SER 14 -8.251 -2.441 3.333 97 HA SER 14 HA SER 14 -6.253 -2.254 5.413 98 1HB SER 14 2HB SER 14 -5.870 -4.321 3.231 99 2HB SER 14 1HB SER 14 -4.765 -3.965 4.553 100 HG SER 14 HG SER 14 -6.938 -4.536 5.777 101 H PHE 15 H PHE 15 -4.814 -0.736 4.870 102 HA PHE 15 HA PHE 15 -4.831 0.698 2.456 103 1HB PHE 15 2HB PHE 15 -3.884 1.620 4.529 104 2HB PHE 15 1HB PHE 15 -2.612 0.405 4.511 105 HD1 PHE 15 1HD PHE 15 -0.593 1.476 4.165 106 HD2 PHE 15 2HD PHE 15 -3.968 2.641 1.839 107 HE1 PHE 15 1HE PHE 15 0.828 3.011 2.875 108 HE2 PHE 15 2HE PHE 15 -2.549 4.176 0.546 109 HZ PHE 15 HZ PHE 15 -0.147 4.365 1.062 110 H GLU 16 H GLU 16 -2.958 -2.021 3.583 111 HA GLU 16 HA GLU 16 -1.093 -2.510 1.682 112 1HB GLU 16 2HB GLU 16 -1.472 -3.928 3.637 113 2HB GLU 16 1HB GLU 16 -2.996 -4.486 2.964 114 1HG GLU 16 2HG GLU 16 -1.627 -5.414 1.030 115 2HG GLU 16 1HG GLU 16 -0.207 -5.108 2.034 116 H ARG 17 H ARG 17 -4.497 -3.581 1.502 117 HA ARG 17 HA ARG 17 -4.201 -4.792 -1.035 118 1HB ARG 17 2HB ARG 17 -6.022 -5.327 0.625 119 2HB ARG 17 1HB ARG 17 -6.797 -3.811 0.174 120 1HG ARG 17 2HG ARG 17 -6.928 -4.606 -2.163 121 2HG ARG 17 1HG ARG 17 -6.228 -6.142 -1.657 122 1HD ARG 17 2HD ARG 17 -8.165 -6.426 -0.100 123 2HD ARG 17 1HD ARG 17 -8.884 -4.977 -0.809 124 HE ARG 17 HE ARG 17 -8.648 -7.606 -2.022 125 1HH1 ARG 17 1HH1 ARG 17 -9.358 -4.207 -2.527 126 2HH1 ARG 17 2HH1 ARG 17 -10.151 -4.472 -4.048 127 1HH2 ARG 17 1HH2 ARG 17 -9.689 -7.942 -4.034 128 2HH2 ARG 17 2HH2 ARG 17 -10.329 -6.580 -4.900 129 H LEU 18 H LEU 18 -5.460 -1.635 -0.027 130 HA LEU 18 HA LEU 18 -6.258 -0.747 -2.583 131 1HB LEU 18 2HB LEU 18 -7.003 0.326 -0.523 132 2HB LEU 18 1HB LEU 18 -5.365 0.812 -0.145 133 HG LEU 18 HG LEU 18 -6.620 1.816 -2.683 134 1HD1 LEU 18 1HD1 LEU 18 -7.548 3.734 -1.483 135 2HD1 LEU 18 2HD1 LEU 18 -7.114 2.989 0.056 136 3HD1 LEU 18 3HD1 LEU 18 -8.320 2.229 -0.985 137 1HD2 LEU 18 1HD2 LEU 18 -4.261 2.302 -2.274 138 2HD2 LEU 18 2HD2 LEU 18 -4.662 3.020 -0.713 139 3HD2 LEU 18 3HD2 LEU 18 -5.221 3.778 -2.204 140 H LEU 19 H LEU 19 -3.200 -0.757 -0.927 141 HA LEU 19 HA LEU 19 -1.872 0.997 -2.778 142 1HB LEU 19 2HB LEU 19 -1.308 0.901 -0.381 143 2HB LEU 19 1HB LEU 19 -0.791 -0.762 -0.567 144 HG LEU 19 HG LEU 19 1.079 -0.084 -1.939 145 1HD1 LEU 19 1HD1 LEU 19 0.057 1.796 -3.116 146 2HD1 LEU 19 2HD1 LEU 19 1.578 2.281 -2.369 147 3HD1 LEU 19 3HD1 LEU 19 0.044 2.739 -1.625 148 1HD2 LEU 19 1HD2 LEU 19 1.383 -0.067 0.481 149 2HD2 LEU 19 2HD2 LEU 19 0.860 1.617 0.545 150 3HD2 LEU 19 3HD2 LEU 19 2.357 1.188 -0.285 151 H GLN 20 H GLN 20 -2.289 -2.444 -2.364 152 HA GLN 20 HA GLN 20 -0.304 -3.144 -4.352 153 1HB GLN 20 2HB GLN 20 -2.337 -4.707 -2.766 154 2HB GLN 20 1HB GLN 20 -1.482 -5.451 -4.109 155 1HG GLN 20 2HG GLN 20 -0.105 -4.163 -1.757 156 2HG GLN 20 1HG GLN 20 -0.496 -5.879 -1.852 157 1HE2 GLN 20 1HE2 GLN 20 2.110 -4.580 -1.658 158 2HE2 GLN 20 2HE2 GLN 20 3.021 -5.096 -3.035 159 H ASP 21 H ASP 21 -3.744 -2.535 -4.221 160 HA ASP 21 HA ASP 21 -4.359 -3.805 -6.727 161 1HB ASP 21 2HB ASP 21 -6.002 -3.607 -4.846 162 2HB ASP 21 1HB ASP 21 -6.056 -1.869 -5.123 163 HA PRO 22 HA PRO 22 -2.933 -0.435 -9.276 164 1HB PRO 22 2HB PRO 22 -4.768 -1.625 -11.295 165 2HB PRO 22 1HB PRO 22 -3.035 -1.296 -11.404 166 1HG PRO 22 2HG PRO 22 -3.937 -3.793 -11.123 167 2HG PRO 22 1HG PRO 22 -2.461 -3.256 -10.296 168 1HD PRO 22 2HD PRO 22 -5.226 -3.623 -9.189 169 2HD PRO 22 1HD PRO 22 -3.657 -4.035 -8.463 170 H LEU 23 H LEU 23 -6.389 -1.271 -9.210 171 HA LEU 23 HA LEU 23 -7.265 1.205 -10.339 172 1HB LEU 23 2HB LEU 23 -8.450 -1.141 -10.181 173 2HB LEU 23 1HB LEU 23 -9.011 -0.554 -8.631 174 HG LEU 23 HG LEU 23 -9.556 0.807 -11.283 175 1HD1 LEU 23 1HD1 LEU 23 -11.369 -0.925 -9.599 176 2HD1 LEU 23 2HD1 LEU 23 -10.655 -1.372 -11.150 177 3HD1 LEU 23 3HD1 LEU 23 -11.825 -0.056 -11.065 178 1HD2 LEU 23 1HD2 LEU 23 -10.695 1.317 -8.530 179 2HD2 LEU 23 2HD2 LEU 23 -11.224 2.092 -10.024 180 3HD2 LEU 23 3HD2 LEU 23 -9.593 2.372 -9.416 181 H GLY 24 H GLY 24 -7.050 -0.131 -7.069 182 1HA GLY 24 2HA GLY 24 -8.128 2.033 -5.639 183 2HA GLY 24 1HA GLY 24 -6.981 0.860 -5.006 184 H LEU 25 H LEU 25 -4.743 1.259 -6.381 185 HA LEU 25 HA LEU 25 -3.640 3.581 -5.234 186 1HB LEU 25 2HB LEU 25 -2.629 1.270 -6.293 187 2HB LEU 25 1HB LEU 25 -2.202 2.416 -7.546 188 HG LEU 25 HG LEU 25 -1.377 2.541 -4.636 189 1HD1 LEU 25 1HD1 LEU 25 0.879 2.207 -5.504 190 2HD1 LEU 25 2HD1 LEU 25 0.237 2.068 -7.142 191 3HD1 LEU 25 3HD1 LEU 25 -0.178 0.859 -5.925 192 1HD2 LEU 25 1HD2 LEU 25 -0.010 4.478 -5.268 193 2HD2 LEU 25 2HD2 LEU 25 -1.731 4.801 -5.467 194 3HD2 LEU 25 3HD2 LEU 25 -0.729 4.459 -6.879 195 H ALA 26 H ALA 26 -5.101 2.959 -8.350 196 HA ALA 26 HA ALA 26 -4.089 5.151 -9.792 197 1HB ALA 26 1HB ALA 26 -6.028 4.871 -11.264 198 2HB ALA 26 2HB ALA 26 -6.785 3.813 -10.070 199 3HB ALA 26 3HB ALA 26 -5.292 3.318 -10.868 200 H TYR 27 H TYR 27 -7.139 4.852 -7.965 201 HA TYR 27 HA TYR 27 -7.865 7.582 -8.205 202 1HB TYR 27 2HB TYR 27 -8.727 5.311 -6.445 203 2HB TYR 27 1HB TYR 27 -9.220 6.944 -6.019 204 HD1 TYR 27 1HD TYR 27 -11.163 7.822 -6.925 205 HD2 TYR 27 2HD TYR 27 -9.273 4.559 -8.911 206 HE1 TYR 27 1HE TYR 27 -13.062 7.674 -8.475 207 HE2 TYR 27 2HE TYR 27 -11.174 4.407 -10.468 208 HH TYR 27 HH TYR 27 -13.576 6.843 -10.680 209 H PHE 28 H PHE 28 -6.088 5.757 -5.765 210 HA PHE 28 HA PHE 28 -5.902 7.742 -3.801 211 1HB PHE 28 2HB PHE 28 -5.373 5.350 -3.429 212 2HB PHE 28 1HB PHE 28 -3.923 5.526 -4.411 213 HD1 PHE 28 1HD PHE 28 -5.554 6.637 -1.271 214 HD2 PHE 28 2HD PHE 28 -1.914 6.329 -3.465 215 HE1 PHE 28 1HE PHE 28 -4.290 7.281 0.739 216 HE2 PHE 28 2HE PHE 28 -0.648 6.973 -1.458 217 HZ PHE 28 HZ PHE 28 -1.834 7.449 0.649 218 H THR 29 H THR 29 -3.682 6.941 -6.463 219 HA THR 29 HA THR 29 -1.720 8.852 -5.726 220 HB THR 29 HB THR 29 -1.288 6.823 -7.173 221 HG1 THR 29 1HG THR 29 -0.407 9.428 -7.757 222 1HG2 THR 29 1HG2 THR 29 -3.177 7.060 -8.720 223 2HG2 THR 29 2HG2 THR 29 -1.642 7.032 -9.588 224 3HG2 THR 29 3HG2 THR 29 -2.488 8.561 -9.341 225 H GLU 30 H GLU 30 -4.609 8.982 -7.704 226 HA GLU 30 HA GLU 30 -4.113 11.466 -8.970 227 1HB GLU 30 2HB GLU 30 -6.021 9.677 -9.332 228 2HB GLU 30 1HB GLU 30 -6.880 10.622 -8.127 229 1HG GLU 30 2HG GLU 30 -5.893 11.549 -10.820 230 2HG GLU 30 1HG GLU 30 -7.564 11.326 -10.314 231 H PHE 31 H PHE 31 -5.930 10.632 -6.022 232 HA PHE 31 HA PHE 31 -6.436 13.295 -5.222 233 1HB PHE 31 2HB PHE 31 -7.717 11.313 -4.419 234 2HB PHE 31 1HB PHE 31 -6.312 10.814 -3.482 235 HD1 PHE 31 1HD PHE 31 -8.555 13.765 -3.951 236 HD2 PHE 31 2HD PHE 31 -6.180 11.467 -1.260 237 HE1 PHE 31 1HE PHE 31 -9.315 15.172 -2.082 238 HE2 PHE 31 2HE PHE 31 -6.940 12.872 0.611 239 HZ PHE 31 HZ PHE 31 -8.507 14.725 0.202 240 H LEU 32 H LEU 32 -3.745 11.153 -4.771 241 HA LEU 32 HA LEU 32 -2.480 12.431 -2.600 242 1HB LEU 32 2HB LEU 32 -2.036 10.129 -3.711 243 2HB LEU 32 1HB LEU 32 -1.013 11.014 -4.817 244 HG LEU 32 HG LEU 32 0.436 11.700 -2.975 245 1HD1 LEU 32 1HD1 LEU 32 -1.423 10.106 -1.205 246 2HD1 LEU 32 2HD1 LEU 32 -1.255 11.862 -1.211 247 3HD1 LEU 32 3HD1 LEU 32 0.100 10.849 -0.714 248 1HD2 LEU 32 1HD2 LEU 32 1.344 9.507 -2.399 249 2HD2 LEU 32 2HD2 LEU 32 0.881 9.569 -4.099 250 3HD2 LEU 32 3HD2 LEU 32 -0.149 8.735 -2.934 251 H LYS 33 H LYS 33 -2.855 13.330 -5.883 252 HA LYS 33 HA LYS 33 -0.559 15.089 -5.964 253 1HB LYS 33 2HB LYS 33 -2.852 14.719 -7.912 254 2HB LYS 33 1HB LYS 33 -1.484 15.795 -8.181 255 1HG LYS 33 2HG LYS 33 0.016 13.794 -7.952 256 2HG LYS 33 1HG LYS 33 -1.432 12.791 -7.940 257 1HD LYS 33 2HD LYS 33 -0.703 14.687 -10.181 258 2HD LYS 33 1HD LYS 33 -0.280 12.977 -10.164 259 1HE LYS 33 2HE LYS 33 -2.215 13.022 -11.448 260 2HE LYS 33 1HE LYS 33 -2.819 12.580 -9.852 261 1HZ LYS 33 1HZ LYS 33 -4.205 14.257 -10.878 262 2HZ LYS 33 2HZ LYS 33 -2.885 15.300 -11.047 263 3HZ LYS 33 3HZ LYS 33 -3.449 14.894 -9.510 264 H LYS 34 H LYS 34 -3.558 15.297 -4.518 265 HA LYS 34 HA LYS 34 -4.033 18.110 -4.896 266 1HB LYS 34 2HB LYS 34 -5.146 15.995 -3.091 267 2HB LYS 34 1HB LYS 34 -5.346 17.668 -2.608 268 1HG LYS 34 2HG LYS 34 -7.327 17.044 -3.717 269 2HG LYS 34 1HG LYS 34 -6.446 18.085 -4.831 270 1HD LYS 34 2HD LYS 34 -6.025 15.143 -5.058 271 2HD LYS 34 1HD LYS 34 -7.575 15.786 -5.591 272 1HE LYS 34 2HE LYS 34 -6.360 17.367 -7.069 273 2HE LYS 34 1HE LYS 34 -4.844 16.604 -6.586 274 1HZ LYS 34 1HZ LYS 34 -7.097 15.203 -7.930 275 2HZ LYS 34 2HZ LYS 34 -5.600 14.535 -7.534 276 3HZ LYS 34 3HZ LYS 34 -5.697 15.749 -8.698 277 H GLU 35 H GLU 35 -2.986 16.238 -2.046 278 HA GLU 35 HA GLU 35 -1.894 18.548 -0.732 279 1HB GLU 35 2HB GLU 35 -1.168 16.919 0.984 280 2HB GLU 35 1HB GLU 35 -2.868 16.739 0.572 281 1HG GLU 35 2HG GLU 35 -2.211 14.866 -0.959 282 2HG GLU 35 1HG GLU 35 -0.581 14.982 -0.297 283 H PHE 36 H PHE 36 -0.758 16.354 -3.051 284 HA PHE 36 HA PHE 36 1.210 16.008 -4.093 285 1HB PHE 36 2HB PHE 36 1.300 18.497 -4.195 286 2HB PHE 36 1HB PHE 36 2.171 18.508 -2.666 287 HD1 PHE 36 1HD PHE 36 2.364 17.386 -6.197 288 HD2 PHE 36 2HD PHE 36 4.521 18.185 -2.608 289 HE1 PHE 36 1HE PHE 36 4.486 17.147 -7.419 290 HE2 PHE 36 2HE PHE 36 6.645 17.945 -3.830 291 HZ PHE 36 HZ PHE 36 6.627 17.429 -6.238 292 H SER 37 H SER 37 1.248 14.130 -2.687 293 HA SER 37 HA SER 37 3.802 14.042 -1.266 294 1HB SER 37 2HB SER 37 2.680 12.617 0.529 295 2HB SER 37 1HB SER 37 2.289 14.337 0.564 296 HG SER 37 HG SER 37 0.360 13.326 0.716 297 H ALA 38 H ALA 38 3.240 13.213 -3.828 298 HA ALA 38 HA ALA 38 2.652 10.407 -3.907 299 1HB ALA 38 1HB ALA 38 3.764 12.200 -6.063 300 2HB ALA 38 2HB ALA 38 2.055 11.891 -5.758 301 3HB ALA 38 3HB ALA 38 3.106 10.578 -6.289 302 H GLU 39 H GLU 39 5.198 11.629 -2.488 303 HA GLU 39 HA GLU 39 7.303 10.286 -3.984 304 1HB GLU 39 2HB GLU 39 8.875 11.213 -2.459 305 2HB GLU 39 1HB GLU 39 7.723 12.480 -2.825 306 1HG GLU 39 2HG GLU 39 7.718 10.803 -0.320 307 2HG GLU 39 1HG GLU 39 8.399 12.421 -0.459 308 H ASN 40 H ASN 40 5.490 9.841 -0.998 309 HA ASN 40 HA ASN 40 7.126 7.818 0.095 310 1HB ASN 40 2HB ASN 40 5.306 7.383 1.650 311 2HB ASN 40 1HB ASN 40 5.510 9.118 1.441 312 1HD2 ASN 40 1HD2 ASN 40 3.930 10.292 0.342 313 2HD2 ASN 40 2HD2 ASN 40 2.351 9.648 0.058 314 H VAL 41 H VAL 41 4.208 7.647 -1.923 315 HA VAL 41 HA VAL 41 4.001 4.832 -1.895 316 HB VAL 41 HB VAL 41 2.584 5.071 -3.919 317 1HG1 VAL 41 1HG1 VAL 41 0.810 6.405 -2.862 318 2HG1 VAL 41 2HG1 VAL 41 1.984 7.047 -1.712 319 3HG1 VAL 41 3HG1 VAL 41 1.595 5.327 -1.708 320 1HG2 VAL 41 1HG2 VAL 41 3.767 6.902 -5.024 321 2HG2 VAL 41 2HG2 VAL 41 3.293 8.006 -3.732 322 3HG2 VAL 41 3HG2 VAL 41 2.067 7.310 -4.792 323 H THR 42 H THR 42 5.661 7.068 -4.100 324 HA THR 42 HA THR 42 6.520 5.115 -5.952 325 HB THR 42 HB THR 42 7.908 7.732 -5.308 326 HG1 THR 42 1HG THR 42 6.211 8.678 -6.134 327 1HG2 THR 42 1HG2 THR 42 7.779 6.087 -7.848 328 2HG2 THR 42 2HG2 THR 42 9.183 6.251 -6.791 329 3HG2 THR 42 3HG2 THR 42 8.577 7.652 -7.675 330 H PHE 43 H PHE 43 7.947 6.471 -3.032 331 HA PHE 43 HA PHE 43 10.428 5.147 -3.105 332 1HB PHE 43 2HB PHE 43 10.076 7.004 -1.602 333 2HB PHE 43 1HB PHE 43 8.753 6.170 -0.796 334 HD1 PHE 43 1HD PHE 43 9.166 4.969 1.149 335 HD2 PHE 43 2HD PHE 43 12.412 5.884 -1.457 336 HE1 PHE 43 1HE PHE 43 10.748 4.074 2.805 337 HE2 PHE 43 2HE PHE 43 13.994 4.989 0.199 338 HZ PHE 43 HZ PHE 43 13.164 4.083 2.331 339 H TRP 44 H TRP 44 7.313 4.270 -1.680 340 HA TRP 44 HA TRP 44 8.098 1.863 -0.468 341 1HB TRP 44 2HB TRP 44 5.965 3.096 -0.022 342 2HB TRP 44 1HB TRP 44 5.366 2.558 -1.586 343 HD1 TRP 44 HD TRP 44 6.163 1.247 1.929 344 HE1 TRP 44 1HE TRP 44 4.989 -1.020 2.248 345 HE3 TRP 44 3HE TRP 44 4.485 0.545 -2.844 346 HZ2 TRP 44 2HZ TRP 44 3.536 -2.870 0.666 347 HZ3 TRP 44 3HZ TRP 44 3.212 -1.493 -3.364 348 HH2 TRP 44 HH TRP 44 2.743 -3.165 -1.646 349 H LYS 45 H LYS 45 6.785 2.556 -3.696 350 HA LYS 45 HA LYS 45 6.701 -0.031 -4.735 351 1HB LYS 45 2HB LYS 45 7.457 2.537 -6.155 352 2HB LYS 45 1HB LYS 45 7.050 1.031 -6.962 353 1HG LYS 45 2HG LYS 45 4.784 1.148 -6.155 354 2HG LYS 45 1HG LYS 45 5.168 2.566 -5.174 355 1HD LYS 45 2HD LYS 45 5.745 3.797 -7.253 356 2HD LYS 45 1HD LYS 45 5.244 2.391 -8.192 357 1HE LYS 45 2HE LYS 45 2.972 2.610 -7.357 358 2HE LYS 45 1HE LYS 45 3.458 3.953 -6.320 359 1HZ LYS 45 1HZ LYS 45 2.397 4.716 -8.362 360 2HZ LYS 45 2HZ LYS 45 3.586 3.949 -9.288 361 3HZ LYS 45 3HZ LYS 45 4.003 5.239 -8.281 362 H ALA 46 H ALA 46 9.351 2.325 -4.718 363 HA ALA 46 HA ALA 46 11.280 0.758 -6.020 364 1HB ALA 46 1HB ALA 46 11.703 2.941 -3.971 365 2HB ALA 46 2HB ALA 46 11.499 3.180 -5.706 366 3HB ALA 46 3HB ALA 46 12.916 2.326 -5.096 367 H CYS 47 H CYS 47 10.288 0.937 -2.655 368 HA CYS 47 HA CYS 47 12.411 -0.549 -1.541 369 1HB CYS 47 2HB CYS 47 9.553 -0.243 -0.584 370 2HB CYS 47 1HB CYS 47 10.871 -0.910 0.374 371 HG CYS 47 HG CYS 47 11.351 2.181 -0.893 372 H GLU 48 H GLU 48 9.106 -1.586 -2.489 373 HA GLU 48 HA GLU 48 9.535 -4.336 -2.033 374 1HB GLU 48 2HB GLU 48 7.278 -3.410 -2.282 375 2HB GLU 48 1HB GLU 48 7.612 -2.988 -3.957 376 1HG GLU 48 2HG GLU 48 7.819 -5.338 -4.538 377 2HG GLU 48 1HG GLU 48 7.580 -5.797 -2.854 378 H ARG 49 H ARG 49 10.068 -2.286 -4.826 379 HA ARG 49 HA ARG 49 10.791 -4.224 -6.718 380 1HB ARG 49 2HB ARG 49 10.369 -1.915 -7.349 381 2HB ARG 49 1HB ARG 49 11.713 -1.360 -6.363 382 1HG ARG 49 2HG ARG 49 12.331 -1.326 -8.691 383 2HG ARG 49 1HG ARG 49 13.276 -2.550 -7.844 384 1HD ARG 49 2HD ARG 49 11.741 -4.287 -8.684 385 2HD ARG 49 1HD ARG 49 10.841 -3.048 -9.563 386 HE ARG 49 HE ARG 49 13.586 -2.961 -10.249 387 1HH1 ARG 49 1HH1 ARG 49 10.687 -4.847 -10.810 388 2HH1 ARG 49 2HH1 ARG 49 11.214 -5.425 -12.355 389 1HH2 ARG 49 1HH2 ARG 49 14.287 -3.718 -12.246 390 2HH2 ARG 49 2HH2 ARG 49 13.295 -4.812 -13.162 391 H PHE 50 H PHE 50 12.632 -2.600 -4.196 392 HA PHE 50 HA PHE 50 15.180 -3.628 -4.951 393 1HB PHE 50 2HB PHE 50 14.639 -1.559 -3.515 394 2HB PHE 50 1HB PHE 50 14.404 -2.685 -2.184 395 HD1 PHE 50 1HD PHE 50 16.236 -3.359 -0.897 396 HD2 PHE 50 2HD PHE 50 16.899 -1.628 -4.733 397 HE1 PHE 50 1HE PHE 50 18.652 -3.286 -0.449 398 HE2 PHE 50 2HE PHE 50 19.315 -1.561 -4.288 399 HZ PHE 50 HZ PHE 50 20.196 -2.390 -2.143 400 H GLN 51 H GLN 51 12.654 -4.627 -2.700 401 HA GLN 51 HA GLN 51 13.948 -6.782 -1.445 402 1HB GLN 51 2HB GLN 51 11.012 -6.592 -2.188 403 2HB GLN 51 1HB GLN 51 11.703 -7.632 -0.954 404 1HG GLN 51 2HG GLN 51 11.781 -4.624 -0.852 405 2HG GLN 51 1HG GLN 51 10.526 -5.604 -0.105 406 1HE2 GLN 51 1HE2 GLN 51 11.048 -6.890 1.679 407 2HE2 GLN 51 2HE2 GLN 51 12.465 -6.587 2.628 408 H GLN 52 H GLN 52 12.580 -6.405 -4.590 409 HA GLN 52 HA GLN 52 12.080 -9.138 -5.188 410 1HB GLN 52 2HB GLN 52 10.863 -7.337 -6.269 411 2HB GLN 52 1HB GLN 52 12.348 -6.699 -6.954 412 1HG GLN 52 2HG GLN 52 12.577 -8.634 -8.378 413 2HG GLN 52 1HG GLN 52 11.173 -9.391 -7.625 414 1HE2 GLN 52 1HE2 GLN 52 9.666 -6.907 -7.473 415 2HE2 GLN 52 2HE2 GLN 52 9.140 -6.561 -9.081 416 H ILE 53 H ILE 53 14.923 -7.165 -5.338 417 HA ILE 53 HA ILE 53 16.290 -8.530 -7.415 418 HB ILE 53 HB ILE 53 17.465 -6.970 -5.095 419 1HG1 ILE 53 2HG1 ILE 53 16.731 -6.071 -7.901 420 2HG1 ILE 53 1HG1 ILE 53 15.859 -5.650 -6.432 421 1HG2 ILE 53 1HG2 ILE 53 18.688 -7.738 -7.753 422 2HG2 ILE 53 2HG2 ILE 53 19.135 -8.384 -6.174 423 3HG2 ILE 53 3HG2 ILE 53 19.434 -6.686 -6.547 424 1HD1 ILE 53 1HD1 ILE 53 18.691 -4.860 -7.089 425 2HD1 ILE 53 2HD1 ILE 53 17.809 -4.430 -5.621 426 3HD1 ILE 53 3HD1 ILE 53 17.266 -3.824 -7.186 427 HA PRO 54 HA PRO 54 16.997 -12.344 -5.271 428 1HB PRO 54 2HB PRO 54 18.730 -13.504 -7.006 429 2HB PRO 54 1HB PRO 54 17.013 -13.288 -7.370 430 1HG PRO 54 2HG PRO 54 19.348 -11.595 -8.209 431 2HG PRO 54 1HG PRO 54 17.993 -12.191 -9.189 432 1HD PRO 54 2HD PRO 54 18.051 -9.674 -8.208 433 2HD PRO 54 1HD PRO 54 16.534 -10.582 -8.380 434 H ALA 55 H ALA 55 19.068 -9.890 -5.026 435 HA ALA 55 HA ALA 55 20.685 -9.474 -3.484 436 1HB ALA 55 1HB ALA 55 19.622 -11.186 -2.082 437 2HB ALA 55 2HB ALA 55 21.373 -11.153 -1.878 438 3HB ALA 55 3HB ALA 55 20.621 -12.423 -2.845 439 H SER 56 H SER 56 21.278 -12.317 -5.506 440 HA SER 56 HA SER 56 24.018 -12.545 -5.186 441 1HB SER 56 2HB SER 56 22.524 -14.203 -6.316 442 2HB SER 56 1HB SER 56 22.466 -13.141 -7.721 443 HG SER 56 HG SER 56 24.923 -14.038 -6.644 444 H ASP 57 H ASP 57 22.202 -10.299 -7.176 445 HA ASP 57 HA ASP 57 24.647 -9.376 -8.493 446 1HB ASP 57 2HB ASP 57 22.323 -9.712 -9.658 447 2HB ASP 57 1HB ASP 57 21.935 -8.150 -8.945 448 H THR 58 H THR 58 25.702 -8.417 -6.766 449 HA THR 58 HA THR 58 24.493 -6.607 -4.954 450 HB THR 58 HB THR 58 27.435 -6.849 -5.631 451 HG1 THR 58 1HG THR 58 25.738 -8.367 -3.924 452 1HG2 THR 58 1HG2 THR 58 26.908 -4.876 -4.278 453 2HG2 THR 58 2HG2 THR 58 27.774 -6.075 -3.315 454 3HG2 THR 58 3HG2 THR 58 26.029 -5.886 -3.128 455 H GLN 59 H GLN 59 25.945 -6.243 -8.092 456 HA GLN 59 HA GLN 59 26.517 -3.472 -7.966 457 1HB GLN 59 2HB GLN 59 25.882 -5.120 -10.429 458 2HB GLN 59 1HB GLN 59 26.727 -3.578 -10.391 459 1HG GLN 59 2HG GLN 59 27.703 -6.198 -9.264 460 2HG GLN 59 1HG GLN 59 28.303 -5.376 -10.701 461 1HE2 GLN 59 1HE2 GLN 59 29.610 -3.553 -10.465 462 2HE2 GLN 59 2HE2 GLN 59 30.366 -3.152 -8.959 463 H GLN 60 H GLN 60 23.748 -5.293 -9.261 464 HA GLN 60 HA GLN 60 22.164 -3.135 -10.062 465 1HB GLN 60 2HB GLN 60 21.619 -5.450 -10.647 466 2HB GLN 60 1HB GLN 60 21.324 -5.832 -8.958 467 1HG GLN 60 2HG GLN 60 19.214 -5.591 -9.999 468 2HG GLN 60 1HG GLN 60 19.453 -4.167 -8.991 469 1HE2 GLN 60 1HE2 GLN 60 17.696 -4.543 -11.262 470 2HE2 GLN 60 2HE2 GLN 60 18.125 -3.344 -12.426 471 H LEU 61 H LEU 61 22.450 -4.762 -6.937 472 HA LEU 61 HA LEU 61 20.485 -3.398 -5.508 473 1HB LEU 61 2HB LEU 61 23.142 -4.530 -4.617 474 2HB LEU 61 1HB LEU 61 21.949 -3.898 -3.497 475 HG LEU 61 HG LEU 61 21.414 -6.198 -5.388 476 1HD1 LEU 61 1HD1 LEU 61 23.159 -6.835 -3.816 477 2HD1 LEU 61 2HD1 LEU 61 21.648 -7.648 -3.423 478 3HD1 LEU 61 3HD1 LEU 61 22.177 -6.264 -2.469 479 1HD2 LEU 61 1HD2 LEU 61 19.477 -6.589 -3.944 480 2HD2 LEU 61 2HD2 LEU 61 19.419 -4.980 -4.664 481 3HD2 LEU 61 3HD2 LEU 61 19.902 -5.174 -2.979 482 H ALA 62 H ALA 62 23.915 -2.599 -5.962 483 HA ALA 62 HA ALA 62 23.925 -0.263 -4.384 484 1HB ALA 62 1HB ALA 62 25.975 -1.442 -5.021 485 2HB ALA 62 2HB ALA 62 26.047 0.256 -5.491 486 3HB ALA 62 3HB ALA 62 25.725 -0.981 -6.706 487 H GLN 63 H GLN 63 23.474 -0.752 -7.864 488 HA GLN 63 HA GLN 63 23.390 1.982 -8.561 489 1HB GLN 63 2HB GLN 63 22.232 -0.424 -9.987 490 2HB GLN 63 1HB GLN 63 22.366 1.183 -10.688 491 1HG GLN 63 2HG GLN 63 24.643 -0.594 -9.822 492 2HG GLN 63 1HG GLN 63 24.163 -0.225 -11.477 493 1HE2 GLN 63 1HE2 GLN 63 24.573 1.844 -12.307 494 2HE2 GLN 63 2HE2 GLN 63 25.741 2.896 -11.588 495 H GLU 64 H GLU 64 20.852 -0.330 -7.704 496 HA GLU 64 HA GLU 64 18.704 1.462 -8.303 497 1HB GLU 64 2HB GLU 64 18.576 -1.084 -8.240 498 2HB GLU 64 1HB GLU 64 18.567 -0.954 -6.487 499 1HG GLU 64 2HG GLU 64 16.309 -1.206 -7.328 500 2HG GLU 64 1HG GLU 64 16.513 0.388 -6.600 501 H ALA 65 H ALA 65 20.341 0.432 -5.320 502 HA ALA 65 HA ALA 65 18.841 1.906 -3.479 503 1HB ALA 65 1HB ALA 65 21.793 1.256 -3.365 504 2HB ALA 65 2HB ALA 65 20.484 0.202 -2.826 505 3HB ALA 65 3HB ALA 65 20.783 1.731 -1.999 506 H ARG 66 H ARG 66 21.533 2.819 -5.534 507 HA ARG 66 HA ARG 66 21.975 5.429 -4.601 508 1HB ARG 66 2HB ARG 66 23.536 4.309 -6.082 509 2HB ARG 66 1HB ARG 66 22.323 4.159 -7.336 510 1HG ARG 66 2HG ARG 66 23.298 6.846 -6.402 511 2HG ARG 66 1HG ARG 66 24.162 5.915 -7.624 512 1HD ARG 66 2HD ARG 66 21.406 7.113 -7.771 513 2HD ARG 66 1HD ARG 66 22.781 7.378 -8.841 514 HE ARG 66 HE ARG 66 22.110 4.679 -9.010 515 1HH1 ARG 66 1HH1 ARG 66 20.697 7.781 -9.812 516 2HH1 ARG 66 2HH1 ARG 66 19.672 7.137 -11.055 517 1HH2 ARG 66 1HH2 ARG 66 20.765 3.825 -10.655 518 2HH2 ARG 66 2HH2 ARG 66 19.733 4.889 -11.557 519 H ASN 67 H ASN 67 19.772 4.162 -7.073 520 HA ASN 67 HA ASN 67 18.716 6.602 -7.982 521 1HB ASN 67 2HB ASN 67 18.383 4.481 -9.175 522 2HB ASN 67 1HB ASN 67 17.411 3.866 -7.844 523 1HD2 ASN 67 1HD2 ASN 67 15.581 3.544 -9.029 524 2HD2 ASN 67 2HD2 ASN 67 14.642 4.833 -9.700 525 H ILE 68 H ILE 68 17.598 4.364 -5.485 526 HA ILE 68 HA ILE 68 15.357 5.842 -4.622 527 HB ILE 68 HB ILE 68 17.081 3.949 -2.994 528 1HG1 ILE 68 2HG1 ILE 68 14.607 3.349 -4.649 529 2HG1 ILE 68 1HG1 ILE 68 16.255 2.932 -5.107 530 1HG2 ILE 68 1HG2 ILE 68 15.065 3.611 -1.636 531 2HG2 ILE 68 2HG2 ILE 68 14.210 4.813 -2.603 532 3HG2 ILE 68 3HG2 ILE 68 15.586 5.295 -1.610 533 1HD1 ILE 68 1HD1 ILE 68 14.767 1.878 -2.709 534 2HD1 ILE 68 2HD1 ILE 68 16.420 1.462 -3.163 535 3HD1 ILE 68 3HD1 ILE 68 15.077 1.011 -4.213 536 H TYR 69 H TYR 69 18.752 5.870 -3.677 537 HA TYR 69 HA TYR 69 18.514 7.400 -1.343 538 1HB TYR 69 2HB TYR 69 20.554 6.097 -1.949 539 2HB TYR 69 1HB TYR 69 20.896 7.271 -3.214 540 HD1 TYR 69 1HD TYR 69 20.851 6.707 0.427 541 HD2 TYR 69 2HD TYR 69 21.735 9.486 -2.679 542 HE1 TYR 69 1HE TYR 69 22.047 8.128 2.043 543 HE2 TYR 69 2HE TYR 69 22.932 10.907 -1.080 544 HH TYR 69 HH TYR 69 22.899 11.321 1.398 545 H GLN 70 H GLN 70 19.538 8.454 -4.598 546 HA GLN 70 HA GLN 70 19.871 11.146 -3.681 547 1HB GLN 70 2HB GLN 70 20.116 9.872 -6.403 548 2HB GLN 70 1HB GLN 70 20.420 11.582 -6.113 549 1HG GLN 70 2HG GLN 70 22.227 11.067 -4.615 550 2HG GLN 70 1HG GLN 70 21.871 9.344 -4.707 551 1HE2 GLN 70 1HE2 GLN 70 23.928 8.851 -5.452 552 2HE2 GLN 70 2HE2 GLN 70 24.456 9.235 -7.053 553 H GLU 71 H GLU 71 17.041 9.705 -4.156 554 HA GLU 71 HA GLU 71 15.848 12.210 -5.150 555 1HB GLU 71 2HB GLU 71 15.776 10.363 -6.864 556 2HB GLU 71 1HB GLU 71 14.720 9.476 -5.770 557 1HG GLU 71 2HG GLU 71 13.486 10.701 -7.520 558 2HG GLU 71 1HG GLU 71 13.051 11.211 -5.887 559 H PHE 72 H PHE 72 15.629 9.480 -2.956 560 HA PHE 72 HA PHE 72 13.296 10.783 -1.696 561 1HB PHE 72 2HB PHE 72 14.027 7.844 -1.666 562 2HB PHE 72 1HB PHE 72 12.639 8.565 -0.854 563 HD1 PHE 72 1HD PHE 72 10.929 9.802 -2.331 564 HD2 PHE 72 2HD PHE 72 13.829 7.076 -3.857 565 HE1 PHE 72 1HE PHE 72 9.581 9.510 -4.369 566 HE2 PHE 72 2HE PHE 72 12.482 6.785 -5.895 567 HZ PHE 72 HZ PHE 72 10.359 8.003 -6.152 568 H LEU 73 H LEU 73 16.530 9.695 -1.242 569 HA LEU 73 HA LEU 73 16.271 10.013 1.681 570 1HB LEU 73 2HB LEU 73 18.032 8.027 0.238 571 2HB LEU 73 1HB LEU 73 17.865 8.193 1.975 572 HG LEU 73 HG LEU 73 15.582 7.407 0.158 573 1HD1 LEU 73 1HD1 LEU 73 17.395 5.617 1.768 574 2HD1 LEU 73 2HD1 LEU 73 17.329 5.720 0.010 575 3HD1 LEU 73 3HD1 LEU 73 15.941 5.112 0.909 576 1HD2 LEU 73 1HD2 LEU 73 14.537 6.651 2.240 577 2HD2 LEU 73 2HD2 LEU 73 14.902 8.376 2.288 578 3HD2 LEU 73 3HD2 LEU 73 15.930 7.233 3.152 579 H SER 74 H SER 74 17.329 11.710 -0.705 580 HA SER 74 HA SER 74 20.064 12.167 0.230 581 1HB SER 74 2HB SER 74 20.087 13.822 -1.709 582 2HB SER 74 1HB SER 74 19.874 12.127 -2.150 583 HG SER 74 HG SER 74 18.382 13.449 -3.242 584 H SER 75 H SER 75 17.184 13.002 1.325 585 HA SER 75 HA SER 75 16.402 14.558 2.760 586 1HB SER 75 2HB SER 75 19.177 15.775 2.604 587 2HB SER 75 1HB SER 75 17.940 16.181 3.794 588 HG SER 75 HG SER 75 19.315 14.683 4.700 589 H GLN 76 H GLN 76 18.568 16.417 0.586 590 HA GLN 76 HA GLN 76 16.448 18.402 0.240 591 1HB GLN 76 2HB GLN 76 19.340 18.444 -0.664 592 2HB GLN 76 1HB GLN 76 18.210 19.790 -0.770 593 1HG GLN 76 2HG GLN 76 18.023 19.783 1.695 594 2HG GLN 76 1HG GLN 76 19.233 18.503 1.759 595 1HE2 GLN 76 1HE2 GLN 76 19.313 21.172 2.895 596 2HE2 GLN 76 2HE2 GLN 76 20.706 21.945 2.224 597 H ALA 77 H ALA 77 15.970 15.943 -0.940 598 HA ALA 77 HA ALA 77 16.678 15.933 -3.721 599 1HB ALA 77 1HB ALA 77 14.577 14.326 -2.267 600 2HB ALA 77 2HB ALA 77 16.270 13.868 -2.442 601 3HB ALA 77 3HB ALA 77 15.237 13.987 -3.867 602 H LEU 78 H LEU 78 14.598 15.435 -5.225 603 HA LEU 78 HA LEU 78 13.247 17.953 -5.469 604 1HB LEU 78 2HB LEU 78 12.950 15.333 -6.957 605 2HB LEU 78 1HB LEU 78 12.017 16.764 -7.345 606 HG LEU 78 HG LEU 78 14.039 17.960 -7.999 607 1HD1 LEU 78 1HD1 LEU 78 16.214 16.838 -8.109 608 2HD1 LEU 78 2HD1 LEU 78 15.531 15.433 -7.288 609 3HD1 LEU 78 3HD1 LEU 78 15.642 16.979 -6.447 610 1HD2 LEU 78 1HD2 LEU 78 14.612 16.655 -9.975 611 2HD2 LEU 78 2HD2 LEU 78 12.877 16.597 -9.666 612 3HD2 LEU 78 3HD2 LEU 78 13.896 15.216 -9.247 613 H SER 79 H SER 79 12.292 14.647 -4.640 614 HA SER 79 HA SER 79 10.168 15.722 -2.949 615 1HB SER 79 2HB SER 79 9.660 13.532 -4.991 616 2HB SER 79 1HB SER 79 8.504 14.119 -3.795 617 HG SER 79 HG SER 79 9.388 16.227 -5.107 618 HA PRO 80 HA PRO 80 12.594 12.351 -0.967 619 1HB PRO 80 2HB PRO 80 13.363 13.667 1.232 620 2HB PRO 80 1HB PRO 80 14.157 13.949 -0.324 621 1HG PRO 80 2HG PRO 80 12.077 15.597 1.068 622 2HG PRO 80 1HG PRO 80 13.524 16.128 0.189 623 1HD PRO 80 2HD PRO 80 10.960 16.084 -0.869 624 2HD PRO 80 1HD PRO 80 12.450 16.069 -1.832 625 H VAL 81 H VAL 81 12.035 10.995 0.723 626 HA VAL 81 HA VAL 81 9.382 11.400 1.875 627 HB VAL 81 HB VAL 81 9.636 9.027 2.660 628 1HG1 VAL 81 1HG1 VAL 81 8.497 9.556 0.558 629 2HG1 VAL 81 2HG1 VAL 81 9.355 8.021 0.451 630 3HG1 VAL 81 3HG1 VAL 81 10.034 9.463 -0.303 631 1HG2 VAL 81 1HG2 VAL 81 12.085 8.951 2.774 632 2HG2 VAL 81 2HG2 VAL 81 12.172 9.108 1.018 633 3HG2 VAL 81 3HG2 VAL 81 11.453 7.668 1.740 634 H ASN 82 H ASN 82 8.974 11.238 4.115 635 HA ASN 82 HA ASN 82 11.207 12.180 5.758 636 1HB ASN 82 2HB ASN 82 9.186 13.570 5.744 637 2HB ASN 82 1HB ASN 82 8.225 12.204 6.304 638 1HD2 ASN 82 1HD2 ASN 82 7.568 13.226 8.180 639 2HD2 ASN 82 2HD2 ASN 82 8.638 13.549 9.498 640 H ILE 83 H ILE 83 12.301 10.457 6.477 641 HA ILE 83 HA ILE 83 10.856 8.616 8.266 642 HB ILE 83 HB ILE 83 12.507 6.844 7.776 643 1HG1 ILE 83 2HG1 ILE 83 14.309 8.425 6.928 644 2HG1 ILE 83 1HG1 ILE 83 14.087 6.953 5.993 645 1HG2 ILE 83 1HG2 ILE 83 11.647 6.180 5.577 646 2HG2 ILE 83 2HG2 ILE 83 11.005 7.807 5.345 647 3HG2 ILE 83 3HG2 ILE 83 10.375 6.787 6.639 648 1HD1 ILE 83 1HD1 ILE 83 12.808 8.208 4.330 649 2HD1 ILE 83 2HD1 ILE 83 14.431 8.864 4.550 650 3HD1 ILE 83 3HD1 ILE 83 13.044 9.683 5.270 651 H ASP 84 H ASP 84 13.051 7.408 9.438 652 HA ASP 84 HA ASP 84 13.935 9.495 11.198 653 1HB ASP 84 2HB ASP 84 14.887 6.611 11.125 654 2HB ASP 84 1HB ASP 84 14.998 7.732 12.476 655 H ARG 85 H ARG 85 14.935 10.630 9.238 656 HA ARG 85 HA ARG 85 17.358 9.665 8.107 657 1HB ARG 85 2HB ARG 85 16.158 12.439 8.279 658 2HB ARG 85 1HB ARG 85 17.661 12.103 7.432 659 1HG ARG 85 2HG ARG 85 15.086 10.689 6.769 660 2HG ARG 85 1HG ARG 85 15.553 12.220 6.025 661 1HD ARG 85 2HD ARG 85 17.251 9.720 5.973 662 2HD ARG 85 1HD ARG 85 16.146 10.195 4.681 663 HE ARG 85 HE ARG 85 17.590 12.363 4.751 664 1HH1 ARG 85 1HH1 ARG 85 18.771 9.084 5.128 665 2HH1 ARG 85 2HH1 ARG 85 20.328 9.438 4.450 666 1HH2 ARG 85 1HH2 ARG 85 19.635 12.810 3.843 667 2HH2 ARG 85 2HH2 ARG 85 20.818 11.544 3.726 668 H GLN 86 H GLN 86 16.552 11.334 11.016 669 HA GLN 86 HA GLN 86 18.961 12.528 11.731 670 1HB GLN 86 2HB GLN 86 17.015 11.129 13.586 671 2HB GLN 86 1HB GLN 86 18.189 12.354 14.047 672 1HG GLN 86 2HG GLN 86 15.824 12.771 12.225 673 2HG GLN 86 1HG GLN 86 15.928 13.255 13.915 674 1HE2 GLN 86 1HE2 GLN 86 16.869 13.970 10.669 675 2HE2 GLN 86 2HE2 GLN 86 17.574 15.517 10.990 676 H ALA 87 H ALA 87 18.058 9.182 11.660 677 HA ALA 87 HA ALA 87 20.716 8.379 12.600 678 1HB ALA 87 1HB ALA 87 19.255 8.357 14.582 679 2HB ALA 87 2HB ALA 87 19.772 6.731 14.136 680 3HB ALA 87 3HB ALA 87 18.141 7.276 13.742 681 H TRP 88 H TRP 88 19.633 8.419 9.979 682 HA TRP 88 HA TRP 88 18.443 5.928 9.294 683 1HB TRP 88 2HB TRP 88 18.153 8.021 7.959 684 2HB TRP 88 1HB TRP 88 19.832 7.887 7.439 685 HD1 TRP 88 HD TRP 88 16.701 5.571 7.387 686 HE1 TRP 88 1HE TRP 88 16.704 4.281 5.164 687 HE3 TRP 88 3HE TRP 88 20.993 7.470 5.344 688 HZ2 TRP 88 2HZ TRP 88 18.291 4.109 2.854 689 HZ3 TRP 88 3HZ TRP 88 21.675 6.690 3.114 690 HH2 TRP 88 HH TRP 88 20.347 5.037 1.893 691 H LEU 89 H LEU 89 19.438 4.518 7.562 692 HA LEU 89 HA LEU 89 21.458 2.978 8.585 693 1HB LEU 89 2HB LEU 89 20.761 3.294 5.661 694 2HB LEU 89 1HB LEU 89 21.537 1.902 6.397 695 HG LEU 89 HG LEU 89 18.736 2.817 7.092 696 1HD1 LEU 89 1HD1 LEU 89 19.601 0.646 5.183 697 2HD1 LEU 89 2HD1 LEU 89 18.812 2.162 4.750 698 3HD1 LEU 89 3HD1 LEU 89 17.946 0.960 5.706 699 1HD2 LEU 89 1HD2 LEU 89 18.532 0.584 8.075 700 2HD2 LEU 89 2HD2 LEU 89 19.830 1.505 8.834 701 3HD2 LEU 89 3HD2 LEU 89 20.213 0.244 7.661 702 H GLY 90 H GLY 90 21.788 5.329 5.922 703 1HA GLY 90 2HA GLY 90 23.591 6.907 5.866 704 2HA GLY 90 1HA GLY 90 24.591 5.746 6.724 705 H GLU 91 H GLU 91 25.995 6.550 4.877 706 HA GLU 91 HA GLU 91 25.631 5.780 2.213 707 1HB GLU 91 2HB GLU 91 27.340 7.383 2.958 708 2HB GLU 91 1HB GLU 91 28.208 6.090 3.775 709 1HG GLU 91 2HG GLU 91 28.573 4.997 1.585 710 2HG GLU 91 1HG GLU 91 27.782 6.366 0.802 711 H GLU 92 H GLU 92 26.088 3.813 4.903 712 HA GLU 92 HA GLU 92 27.738 1.751 4.026 713 1HB GLU 92 2HB GLU 92 26.981 2.010 6.348 714 2HB GLU 92 1HB GLU 92 25.328 1.662 5.864 715 1HG GLU 92 2HG GLU 92 25.941 -0.610 5.285 716 2HG GLU 92 1HG GLU 92 27.633 -0.270 5.654 717 H VAL 93 H VAL 93 24.455 2.579 3.318 718 HA VAL 93 HA VAL 93 23.592 0.146 2.197 719 HB VAL 93 HB VAL 93 22.666 2.956 1.542 720 1HG1 VAL 93 1HG1 VAL 93 21.941 1.359 -0.143 721 2HG1 VAL 93 2HG1 VAL 93 20.570 1.882 0.835 722 3HG1 VAL 93 3HG1 VAL 93 21.295 0.297 1.110 723 1HG2 VAL 93 1HG2 VAL 93 22.492 2.492 3.930 724 2HG2 VAL 93 2HG2 VAL 93 21.619 0.997 3.593 725 3HG2 VAL 93 3HG2 VAL 93 20.891 2.553 3.192 726 H LEU 94 H LEU 94 25.311 2.915 0.914 727 HA LEU 94 HA LEU 94 25.143 1.983 -1.831 728 1HB LEU 94 2HB LEU 94 26.606 4.337 -0.617 729 2HB LEU 94 1HB LEU 94 26.522 3.994 -2.333 730 HG LEU 94 HG LEU 94 24.963 5.731 -1.906 731 1HD1 LEU 94 1HD1 LEU 94 22.829 4.750 -2.553 732 2HD1 LEU 94 2HD1 LEU 94 23.418 3.147 -2.109 733 3HD1 LEU 94 3HD1 LEU 94 24.164 4.023 -3.447 734 1HD2 LEU 94 1HD2 LEU 94 23.774 4.035 0.293 735 2HD2 LEU 94 2HD2 LEU 94 23.190 5.612 -0.239 736 3HD2 LEU 94 3HD2 LEU 94 24.776 5.470 0.519 737 H ALA 95 H ALA 95 27.269 1.766 0.854 738 HA ALA 95 HA ALA 95 29.659 1.151 -0.600 739 1HB ALA 95 1HB ALA 95 30.572 0.513 1.575 740 2HB ALA 95 2HB ALA 95 28.958 0.591 2.286 741 3HB ALA 95 3HB ALA 95 29.725 2.057 1.679 742 H GLU 96 H GLU 96 27.562 -0.861 1.473 743 HA GLU 96 HA GLU 96 28.004 -3.118 -0.349 744 1HB GLU 96 2HB GLU 96 28.149 -4.610 1.706 745 2HB GLU 96 1HB GLU 96 29.557 -3.617 1.361 746 1HG GLU 96 2HG GLU 96 28.906 -2.037 3.089 747 2HG GLU 96 1HG GLU 96 27.434 -2.958 3.401 748 HA PRO 97 HA PRO 97 23.561 -2.639 0.527 749 1HB PRO 97 2HB PRO 97 22.669 -2.918 -1.974 750 2HB PRO 97 1HB PRO 97 23.461 -1.425 -1.448 751 1HG PRO 97 2HG PRO 97 24.584 -3.702 -3.040 752 2HG PRO 97 1HG PRO 97 24.810 -1.959 -3.268 753 1HD PRO 97 2HD PRO 97 26.614 -3.624 -1.986 754 2HD PRO 97 1HD PRO 97 26.517 -1.868 -1.750 755 H ARG 98 H ARG 98 21.832 -4.048 0.536 756 HA ARG 98 HA ARG 98 21.993 -6.649 -0.725 757 1HB ARG 98 2HB ARG 98 21.265 -7.763 1.450 758 2HB ARG 98 1HB ARG 98 22.956 -7.305 1.344 759 1HG ARG 98 2HG ARG 98 21.125 -5.327 2.584 760 2HG ARG 98 1HG ARG 98 21.431 -6.811 3.488 761 1HD ARG 98 2HD ARG 98 23.532 -4.911 2.436 762 2HD ARG 98 1HD ARG 98 23.004 -5.049 4.115 763 HE ARG 98 HE ARG 98 23.797 -7.582 3.380 764 1HH1 ARG 98 1HH1 ARG 98 25.362 -4.441 3.509 765 2HH1 ARG 98 2HH1 ARG 98 26.919 -5.102 3.890 766 1HH2 ARG 98 1HH2 ARG 98 25.850 -8.441 3.839 767 2HH2 ARG 98 2HH2 ARG 98 27.201 -7.370 4.048 768 HA PRO 99 HA PRO 99 17.791 -5.849 -1.585 769 1HB PRO 99 2HB PRO 99 16.545 -8.253 -0.949 770 2HB PRO 99 1HB PRO 99 17.377 -7.911 -2.469 771 1HG PRO 99 2HG PRO 99 18.379 -9.348 -0.044 772 2HG PRO 99 1HG PRO 99 18.628 -9.729 -1.759 773 1HD PRO 99 2HD PRO 99 20.553 -8.556 -0.319 774 2HD PRO 99 1HD PRO 99 20.272 -8.094 -2.011 775 H ASP 100 H ASP 100 18.452 -7.359 1.519 776 HA ASP 100 HA ASP 100 16.074 -6.114 2.703 777 1HB ASP 100 2HB ASP 100 16.440 -8.430 3.342 778 2HB ASP 100 1HB ASP 100 18.091 -8.074 3.840 779 H MET 101 H MET 101 16.590 -3.978 2.769 780 HA MET 101 HA MET 101 18.711 -3.155 4.615 781 1HB MET 101 2HB MET 101 19.749 -3.026 2.414 782 2HB MET 101 1HB MET 101 18.378 -2.129 1.781 783 1HG MET 101 2HG MET 101 20.237 -0.649 2.170 784 2HG MET 101 1HG MET 101 18.918 -0.263 3.272 785 1HE MET 101 1HE MET 101 22.502 -1.756 2.870 786 2HE MET 101 2HE MET 101 21.624 -3.168 3.462 787 3HE MET 101 3HE MET 101 22.833 -2.390 4.482 788 H PHE 102 H PHE 102 16.173 -1.928 2.437 789 HA PHE 102 HA PHE 102 15.642 0.331 4.195 790 1HB PHE 102 2HB PHE 102 14.272 -0.446 1.603 791 2HB PHE 102 1HB PHE 102 14.167 1.109 2.421 792 HD1 PHE 102 1HD PHE 102 16.008 -0.904 0.082 793 HD2 PHE 102 2HD PHE 102 16.241 2.547 2.568 794 HE1 PHE 102 1HE PHE 102 17.930 -0.097 -1.222 795 HE2 PHE 102 2HE PHE 102 18.165 3.354 1.263 796 HZ PHE 102 HZ PHE 102 19.009 2.034 -0.633 797 H ARG 103 H ARG 103 14.947 -2.503 4.976 798 HA ARG 103 HA ARG 103 12.295 -3.189 4.693 799 1HB ARG 103 2HB ARG 103 14.058 -4.584 5.788 800 2HB ARG 103 1HB ARG 103 13.936 -3.561 7.215 801 1HG ARG 103 2HG ARG 103 11.463 -4.205 7.263 802 2HG ARG 103 1HG ARG 103 11.884 -5.454 6.092 803 1HD ARG 103 2HD ARG 103 12.938 -5.138 8.904 804 2HD ARG 103 1HD ARG 103 11.908 -6.428 8.287 805 HE ARG 103 HE ARG 103 14.397 -6.264 6.885 806 1HH1 ARG 103 1HH1 ARG 103 12.846 -7.553 9.758 807 2HH1 ARG 103 2HH1 ARG 103 14.082 -8.745 10.024 808 1HH2 ARG 103 1HH2 ARG 103 16.013 -7.818 7.265 809 2HH2 ARG 103 2HH2 ARG 103 15.865 -8.899 8.621 810 H ALA 104 H ALA 104 13.715 -1.258 7.323 811 HA ALA 104 HA ALA 104 11.308 -0.786 8.702 812 1HB ALA 104 1HB ALA 104 12.543 0.940 9.910 813 2HB ALA 104 2HB ALA 104 13.834 0.871 8.710 814 3HB ALA 104 3HB ALA 104 13.512 -0.524 9.739 815 H GLN 105 H GLN 105 13.108 1.260 6.402 816 HA GLN 105 HA GLN 105 11.406 3.482 6.531 817 1HB GLN 105 2HB GLN 105 13.230 2.539 4.312 818 2HB GLN 105 1HB GLN 105 12.369 4.070 4.264 819 1HG GLN 105 2HG GLN 105 14.558 4.554 4.983 820 2HG GLN 105 1HG GLN 105 13.532 4.680 6.410 821 1HE2 GLN 105 1HE2 GLN 105 13.744 3.143 8.057 822 2HE2 GLN 105 2HE2 GLN 105 15.101 2.072 8.141 823 H GLN 106 H GLN 106 11.301 0.600 4.514 824 HA GLN 106 HA GLN 106 9.299 1.299 2.715 825 1HB GLN 106 2HB GLN 106 10.523 -0.775 2.451 826 2HB GLN 106 1HB GLN 106 9.927 -1.379 3.992 827 1HG GLN 106 2HG GLN 106 7.618 -1.333 3.029 828 2HG GLN 106 1HG GLN 106 8.336 -0.925 1.472 829 1HE2 GLN 106 1HE2 GLN 106 9.456 -2.500 0.336 830 2HE2 GLN 106 2HE2 GLN 106 9.372 -4.177 0.745 831 H LEU 107 H LEU 107 8.971 -0.356 5.858 832 HA LEU 107 HA LEU 107 6.095 -0.208 5.724 833 1HB LEU 107 2HB LEU 107 7.490 -2.068 6.807 834 2HB LEU 107 1HB LEU 107 7.718 -0.961 8.151 835 HG LEU 107 HG LEU 107 5.196 -0.837 8.339 836 1HD1 LEU 107 1HD1 LEU 107 3.888 -2.634 7.339 837 2HD1 LEU 107 2HD1 LEU 107 5.317 -3.200 6.471 838 3HD1 LEU 107 3HD1 LEU 107 4.630 -1.615 6.109 839 1HD2 LEU 107 1HD2 LEU 107 6.498 -3.530 8.766 840 2HD2 LEU 107 2HD2 LEU 107 5.002 -2.978 9.525 841 3HD2 LEU 107 3HD2 LEU 107 6.525 -2.167 9.887 842 H GLN 108 H GLN 108 8.606 1.800 6.885 843 HA GLN 108 HA GLN 108 7.222 3.189 8.934 844 1HB GLN 108 2HB GLN 108 9.741 3.209 8.436 845 2HB GLN 108 1HB GLN 108 9.383 4.357 7.157 846 1HG GLN 108 2HG GLN 108 10.116 5.582 9.057 847 2HG GLN 108 1HG GLN 108 8.386 5.866 8.876 848 1HE2 GLN 108 1HE2 GLN 108 10.210 6.046 11.222 849 2HE2 GLN 108 2HE2 GLN 108 9.475 5.060 12.436 850 H ILE 109 H ILE 109 7.713 3.807 5.479 851 HA ILE 109 HA ILE 109 6.049 6.098 5.320 852 HB ILE 109 HB ILE 109 7.548 4.412 3.468 853 1HG1 ILE 109 2HG1 ILE 109 7.909 6.526 2.311 854 2HG1 ILE 109 1HG1 ILE 109 6.605 7.281 3.220 855 1HG2 ILE 109 1HG2 ILE 109 6.242 4.888 1.436 856 2HG2 ILE 109 2HG2 ILE 109 4.931 5.514 2.437 857 3HG2 ILE 109 3HG2 ILE 109 5.386 3.814 2.542 858 1HD1 ILE 109 1HD1 ILE 109 8.799 7.928 4.050 859 2HD1 ILE 109 2HD1 ILE 109 9.178 6.239 4.386 860 3HD1 ILE 109 3HD1 ILE 109 7.882 7.048 5.272 861 H PHE 110 H PHE 110 5.486 2.649 4.825 862 HA PHE 110 HA PHE 110 2.849 2.723 3.931 863 1HB PHE 110 2HB PHE 110 4.302 0.685 4.033 864 2HB PHE 110 1HB PHE 110 4.069 0.645 5.775 865 HD1 PHE 110 1HD PHE 110 2.571 -0.011 2.522 866 HD2 PHE 110 2HD PHE 110 1.876 0.028 6.731 867 HE1 PHE 110 1HE PHE 110 0.543 -1.365 2.204 868 HE2 PHE 110 2HE PHE 110 -0.148 -1.324 6.408 869 HZ PHE 110 HZ PHE 110 -0.817 -2.021 4.149 870 H ASN 111 H ASN 111 4.004 2.286 7.270 871 HA ASN 111 HA ASN 111 1.480 2.380 8.497 872 1HB ASN 111 2HB ASN 111 4.241 2.946 9.606 873 2HB ASN 111 1HB ASN 111 2.792 2.864 10.602 874 1HD2 ASN 111 1HD2 ASN 111 5.223 1.213 10.601 875 2HD2 ASN 111 2HD2 ASN 111 4.681 -0.414 10.388 876 H LEU 112 H LEU 112 3.700 4.893 7.523 877 HA LEU 112 HA LEU 112 2.776 7.040 9.046 878 1HB LEU 112 2HB LEU 112 4.799 6.887 7.465 879 2HB LEU 112 1HB LEU 112 3.684 7.259 6.169 880 HG LEU 112 HG LEU 112 4.995 9.217 6.958 881 1HD1 LEU 112 1HD1 LEU 112 2.030 9.495 7.435 882 2HD1 LEU 112 2HD1 LEU 112 2.835 9.564 5.867 883 3HD1 LEU 112 3HD1 LEU 112 3.162 10.801 7.079 884 1HD2 LEU 112 1HD2 LEU 112 5.161 8.618 9.315 885 2HD2 LEU 112 2HD2 LEU 112 3.429 8.884 9.517 886 3HD2 LEU 112 3HD2 LEU 112 4.489 10.235 9.116 887 H MET 113 H MET 113 1.820 6.152 5.712 888 HA MET 113 HA MET 113 -0.384 8.027 5.787 889 1HB MET 113 2HB MET 113 0.408 6.028 3.659 890 2HB MET 113 1HB MET 113 -0.844 7.247 3.485 891 1HG MET 113 2HG MET 113 2.094 7.771 3.910 892 2HG MET 113 1HG MET 113 1.204 7.956 2.397 893 1HE MET 113 1HE MET 113 1.979 11.672 3.420 894 2HE MET 113 2HE MET 113 2.092 10.471 2.132 895 3HE MET 113 3HE MET 113 3.018 10.261 3.619 896 H LYS 114 H LYS 114 0.082 4.775 6.629 897 HA LYS 114 HA LYS 114 -2.306 3.543 5.887 898 1HB LYS 114 2HB LYS 114 -0.278 2.417 6.820 899 2HB LYS 114 1HB LYS 114 -0.717 3.022 8.410 900 1HG LYS 114 2HG LYS 114 -2.814 1.740 8.306 901 2HG LYS 114 1HG LYS 114 -2.342 1.119 6.723 902 1HD LYS 114 2HD LYS 114 -1.820 -0.538 8.406 903 2HD LYS 114 1HD LYS 114 -0.321 0.120 7.758 904 1HE LYS 114 2HE LYS 114 -0.196 -0.111 10.183 905 2HE LYS 114 1HE LYS 114 -0.110 1.582 9.710 906 1HZ LYS 114 1HZ LYS 114 -2.482 0.169 10.804 907 2HZ LYS 114 2HZ LYS 114 -2.496 1.765 10.244 908 3HZ LYS 114 3HZ LYS 114 -1.557 1.350 11.586 909 H PHE 115 H PHE 115 -1.720 5.877 8.380 910 HA PHE 115 HA PHE 115 -4.536 5.634 9.241 911 1HB PHE 115 2HB PHE 115 -2.916 4.816 10.974 912 2HB PHE 115 1HB PHE 115 -2.192 6.418 11.005 913 HD1 PHE 115 1HD PHE 115 -5.524 4.770 11.397 914 HD2 PHE 115 2HD PHE 115 -2.918 7.910 12.625 915 HE1 PHE 115 1HE PHE 115 -7.153 5.446 13.113 916 HE2 PHE 115 2HE PHE 115 -4.544 8.591 14.341 917 HZ PHE 115 HZ PHE 115 -6.664 7.359 14.586 918 H ASP 116 H ASP 116 -3.004 7.336 7.232 919 HA ASP 116 HA ASP 116 -3.952 9.938 8.210 920 1HB ASP 116 2HB ASP 116 -1.517 9.867 8.586 921 2HB ASP 116 1HB ASP 116 -1.262 9.505 6.881 922 H SER 117 H SER 117 -2.104 9.406 5.252 923 HA SER 117 HA SER 117 -3.974 10.734 3.649 924 1HB SER 117 2HB SER 117 -1.542 10.406 3.101 925 2HB SER 117 1HB SER 117 -1.906 8.731 2.694 926 HG SER 117 HG SER 117 -2.140 10.891 1.165 927 H TYR 118 H TYR 118 -3.438 7.269 4.196 928 HA TYR 118 HA TYR 118 -5.377 6.227 2.481 929 1HB TYR 118 2HB TYR 118 -3.837 4.748 3.558 930 2HB TYR 118 1HB TYR 118 -4.330 5.284 5.156 931 HD1 TYR 118 1HD TYR 118 -5.576 3.779 6.366 932 HD2 TYR 118 2HD TYR 118 -5.965 3.768 2.123 933 HE1 TYR 118 1HE TYR 118 -7.126 1.882 6.522 934 HE2 TYR 118 2HE TYR 118 -7.521 1.867 2.273 935 HH TYR 118 HH TYR 118 -8.838 0.791 5.270 936 H ALA 119 H ALA 119 -5.680 7.469 5.781 937 HA ALA 119 HA ALA 119 -8.417 6.762 6.124 938 1HB ALA 119 1HB ALA 119 -6.919 7.138 8.024 939 2HB ALA 119 2HB ALA 119 -8.332 8.189 8.109 940 3HB ALA 119 3HB ALA 119 -6.777 8.840 7.584 941 H ARG 120 H ARG 120 -6.757 9.595 4.891 942 HA ARG 120 HA ARG 120 -9.045 11.303 4.807 943 1HB ARG 120 2HB ARG 120 -6.784 12.219 4.875 944 2HB ARG 120 1HB ARG 120 -6.385 11.428 3.358 945 1HG ARG 120 2HG ARG 120 -6.770 13.818 3.057 946 2HG ARG 120 1HG ARG 120 -7.955 12.860 2.169 947 1HD ARG 120 2HD ARG 120 -9.670 13.364 3.712 948 2HD ARG 120 1HD ARG 120 -8.525 13.960 4.913 949 HE ARG 120 HE ARG 120 -8.148 15.888 3.467 950 1HH1 ARG 120 1HH1 ARG 120 -10.976 13.956 2.734 951 2HH1 ARG 120 2HH1 ARG 120 -11.871 15.279 2.065 952 1HH2 ARG 120 1HH2 ARG 120 -9.317 17.641 2.580 953 2HH2 ARG 120 2HH2 ARG 120 -10.911 17.379 1.948 954 H PHE 121 H PHE 121 -7.326 9.365 2.382 955 HA PHE 121 HA PHE 121 -8.759 10.101 0.135 956 1HB PHE 121 2HB PHE 121 -6.748 8.839 -0.137 957 2HB PHE 121 1HB PHE 121 -7.384 7.495 0.810 958 HD1 PHE 121 1HD PHE 121 -8.073 9.429 -2.309 959 HD2 PHE 121 2HD PHE 121 -8.335 5.684 -0.290 960 HE1 PHE 121 1HE PHE 121 -8.932 8.382 -4.359 961 HE2 PHE 121 2HE PHE 121 -9.193 4.635 -2.343 962 HZ PHE 121 HZ PHE 121 -9.495 5.985 -4.377 963 H VAL 122 H VAL 122 -9.390 7.306 2.276 964 HA VAL 122 HA VAL 122 -11.597 6.347 0.803 965 HB VAL 122 HB VAL 122 -12.157 4.994 2.781 966 1HG1 VAL 122 1HG1 VAL 122 -9.190 5.099 2.207 967 2HG1 VAL 122 2HG1 VAL 122 -10.401 4.219 1.272 968 3HG1 VAL 122 3HG1 VAL 122 -10.054 3.741 2.934 969 1HG2 VAL 122 1HG2 VAL 122 -11.715 6.641 4.531 970 2HG2 VAL 122 2HG2 VAL 122 -9.987 6.570 4.180 971 3HG2 VAL 122 3HG2 VAL 122 -10.814 5.156 4.831 972 H LYS 123 H LYS 123 -11.335 9.003 2.950 973 HA LYS 123 HA LYS 123 -14.217 9.125 3.453 974 1HB LYS 123 2HB LYS 123 -12.601 9.598 5.296 975 2HB LYS 123 1HB LYS 123 -12.003 10.978 4.386 976 1HG LYS 123 2HG LYS 123 -14.237 12.014 4.516 977 2HG LYS 123 1HG LYS 123 -14.803 10.642 5.470 978 1HD LYS 123 2HD LYS 123 -12.566 12.522 6.255 979 2HD LYS 123 1HD LYS 123 -14.215 12.584 6.876 980 1HE LYS 123 2HE LYS 123 -12.326 10.245 7.183 981 2HE LYS 123 1HE LYS 123 -12.644 11.458 8.422 982 1HZ LYS 123 1HZ LYS 123 -14.947 10.767 8.472 983 2HZ LYS 123 2HZ LYS 123 -13.940 9.442 8.761 984 3HZ LYS 123 3HZ LYS 123 -14.672 9.627 7.253 985 H SER 124 H SER 124 -11.924 10.224 1.228 986 HA SER 124 HA SER 124 -13.183 12.725 0.555 987 1HB SER 124 2HB SER 124 -11.014 11.146 -0.856 988 2HB SER 124 1HB SER 124 -11.500 12.795 -1.257 989 HG SER 124 HG SER 124 -10.138 11.831 0.999 990 HA PRO 125 HA PRO 125 -16.361 11.509 -2.155 991 1HB PRO 125 2HB PRO 125 -16.008 13.268 -4.280 992 2HB PRO 125 1HB PRO 125 -16.828 13.651 -2.765 993 1HG PRO 125 2HG PRO 125 -14.005 14.214 -3.587 994 2HG PRO 125 1HG PRO 125 -15.146 15.252 -2.709 995 1HD PRO 125 2HD PRO 125 -13.200 13.960 -1.412 996 2HD PRO 125 1HD PRO 125 -14.819 14.117 -0.694 997 H LEU 126 H LEU 126 -13.118 11.531 -3.499 998 HA LEU 126 HA LEU 126 -13.685 10.430 -6.020 999 1HB LEU 126 2HB LEU 126 -11.214 10.200 -4.303 1000 2HB LEU 126 1HB LEU 126 -11.304 9.610 -5.952 1001 HG LEU 126 HG LEU 126 -11.605 12.489 -5.083 1002 1HD1 LEU 126 1HD1 LEU 126 -9.499 12.835 -6.278 1003 2HD1 LEU 126 2HD1 LEU 126 -9.401 11.106 -6.612 1004 3HD1 LEU 126 3HD1 LEU 126 -9.304 11.691 -4.951 1005 1HD2 LEU 126 1HD2 LEU 126 -13.026 12.014 -7.001 1006 2HD2 LEU 126 2HD2 LEU 126 -11.665 11.279 -7.849 1007 3HD2 LEU 126 3HD2 LEU 126 -11.648 13.004 -7.483 1008 H TYR 127 H TYR 127 -13.061 8.873 -2.907 1009 HA TYR 127 HA TYR 127 -13.187 6.189 -3.799 1010 1HB TYR 127 2HB TYR 127 -12.389 7.061 -1.533 1011 2HB TYR 127 1HB TYR 127 -14.082 7.248 -1.097 1012 HD1 TYR 127 1HD TYR 127 -15.518 5.220 -0.815 1013 HD2 TYR 127 2HD TYR 127 -11.330 4.922 -1.536 1014 HE1 TYR 127 1HE TYR 127 -15.547 2.888 -0.023 1015 HE2 TYR 127 2HE TYR 127 -11.355 2.598 -0.753 1016 HH TYR 127 HH TYR 127 -12.749 1.184 0.743 1017 H ARG 128 H ARG 128 -15.553 8.539 -2.762 1018 HA ARG 128 HA ARG 128 -17.787 6.740 -2.885 1019 1HB ARG 128 2HB ARG 128 -17.548 8.721 -1.323 1020 2HB ARG 128 1HB ARG 128 -17.839 9.757 -2.711 1021 1HG ARG 128 2HG ARG 128 -20.060 9.009 -2.944 1022 2HG ARG 128 1HG ARG 128 -19.789 7.620 -1.887 1023 1HD ARG 128 2HD ARG 128 -19.812 10.530 -1.070 1024 2HD ARG 128 1HD ARG 128 -21.044 9.321 -0.698 1025 HE ARG 128 HE ARG 128 -19.111 8.134 0.495 1026 1HH1 ARG 128 1HH1 ARG 128 -19.492 11.619 0.334 1027 2HH1 ARG 128 2HH1 ARG 128 -18.546 11.906 1.762 1028 1HH2 ARG 128 1HH2 ARG 128 -17.856 8.530 2.363 1029 2HH2 ARG 128 2HH2 ARG 128 -17.632 10.163 2.910 1030 H GLU 129 H GLU 129 -15.977 8.327 -5.233 1031 HA GLU 129 HA GLU 129 -18.098 8.725 -7.139 1032 1HB GLU 129 2HB GLU 129 -15.932 9.924 -7.343 1033 2HB GLU 129 1HB GLU 129 -15.120 8.388 -7.621 1034 1HG GLU 129 2HG GLU 129 -16.571 8.082 -9.644 1035 2HG GLU 129 1HG GLU 129 -17.160 9.722 -9.395 1036 H CYS 130 H CYS 130 -16.039 6.124 -6.106 1037 HA CYS 130 HA CYS 130 -16.731 4.348 -8.257 1038 1HB CYS 130 2HB CYS 130 -15.508 3.735 -5.551 1039 2HB CYS 130 1HB CYS 130 -15.566 2.642 -6.930 1040 HG CYS 130 HG CYS 130 -14.090 4.799 -8.433 1041 H LEU 131 H LEU 131 -17.795 4.903 -4.933 1042 HA LEU 131 HA LEU 131 -19.765 2.774 -5.062 1043 1HB LEU 131 2HB LEU 131 -19.127 4.861 -2.981 1044 2HB LEU 131 1HB LEU 131 -20.500 3.783 -2.827 1045 HG LEU 131 HG LEU 131 -18.880 1.847 -2.955 1046 1HD1 LEU 131 1HD1 LEU 131 -16.531 2.290 -2.452 1047 2HD1 LEU 131 2HD1 LEU 131 -16.827 4.025 -2.574 1048 3HD1 LEU 131 3HD1 LEU 131 -17.004 2.998 -3.996 1049 1HD2 LEU 131 1HD2 LEU 131 -18.179 2.057 -0.621 1050 2HD2 LEU 131 2HD2 LEU 131 -19.843 2.593 -0.843 1051 3HD2 LEU 131 3HD2 LEU 131 -18.551 3.780 -0.659 1052 H LEU 132 H LEU 132 -20.005 6.293 -4.557 1053 HA LEU 132 HA LEU 132 -21.664 7.788 -4.848 1054 1HB LEU 132 2HB LEU 132 -22.337 5.944 -7.144 1055 2HB LEU 132 1HB LEU 132 -23.148 7.473 -6.872 1056 HG LEU 132 HG LEU 132 -20.184 7.168 -7.407 1057 1HD1 LEU 132 1HD1 LEU 132 -22.408 8.061 -9.249 1058 2HD1 LEU 132 2HD1 LEU 132 -21.497 6.554 -9.368 1059 3HD1 LEU 132 3HD1 LEU 132 -20.682 8.097 -9.618 1060 1HD2 LEU 132 1HD2 LEU 132 -20.711 9.144 -6.072 1061 2HD2 LEU 132 2HD2 LEU 132 -21.931 9.631 -7.250 1062 3HD2 LEU 132 3HD2 LEU 132 -20.227 9.601 -7.704 1063 H ALA 133 H ALA 133 -24.049 5.730 -6.170 1064 HA ALA 133 HA ALA 133 -25.261 4.449 -4.091 1065 1HB ALA 133 1HB ALA 133 -26.972 6.012 -3.263 1066 2HB ALA 133 2HB ALA 133 -26.232 7.318 -4.189 1067 3HB ALA 133 3HB ALA 133 -25.350 6.571 -2.859 1068 H GLU 134 H GLU 134 -26.308 6.996 -6.338 1069 HA GLU 134 HA GLU 134 -27.578 5.040 -8.069 1070 1HB GLU 134 2HB GLU 134 -29.329 5.526 -6.406 1071 2HB GLU 134 1HB GLU 134 -29.159 7.248 -6.716 1072 1HG GLU 134 2HG GLU 134 -31.130 6.291 -7.810 1073 2HG GLU 134 1HG GLU 134 -29.987 6.968 -8.969 1074 H ALA 135 H ALA 135 -27.492 8.548 -7.415 1075 HA ALA 135 HA ALA 135 -26.389 9.044 -10.060 1076 1HB ALA 135 1HB ALA 135 -28.969 10.318 -9.134 1077 2HB ALA 135 2HB ALA 135 -28.820 9.105 -10.405 1078 3HB ALA 135 3HB ALA 135 -28.098 10.701 -10.619 1079 H GLU 136 H GLU 136 -24.867 10.518 -9.902 1080 HA GLU 136 HA GLU 136 -24.356 11.944 -7.482 1081 1HB GLU 136 2HB GLU 136 -22.704 13.165 -9.290 1082 2HB GLU 136 1HB GLU 136 -22.315 11.705 -8.407 1083 1HG GLU 136 2HG GLU 136 -21.745 11.463 -10.741 1084 2HG GLU 136 1HG GLU 136 -23.032 10.345 -10.306
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