NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
624864 | 5xe4 | 36070 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 1H ALA 1 9.817 -19.318 10.224 2 H2 ALA 1 2H ALA 1 8.651 -18.103 10.124 3 H3 ALA 1 3H ALA 1 8.499 -19.328 11.282 4 HA ALA 1 HA ALA 1 9.231 -17.291 12.286 5 HB1 ALA 1 1HB ALA 1 11.415 -19.402 12.242 6 HB2 ALA 1 2HB ALA 1 9.964 -19.447 13.246 7 HB3 ALA 1 3HB ALA 1 11.169 -18.185 13.496 8 H GLU 2 H GLU 2 12.017 -18.508 10.338 9 HA GLU 2 HA GLU 2 12.964 -15.710 10.004 10 HB2 GLU 2 2HB GLU 2 14.515 -18.333 10.082 11 HB3 GLU 2 1HB GLU 2 15.242 -16.760 9.753 12 HG2 GLU 2 2HG GLU 2 14.652 -15.978 11.989 13 HG3 GLU 2 1HG GLU 2 13.813 -17.497 12.330 14 H GLN 3 H GLN 3 11.031 -17.054 8.245 15 HA GLN 3 HA GLN 3 12.190 -17.597 5.707 16 HB2 GLN 3 2HB GLN 3 9.970 -17.283 4.763 17 HB3 GLN 3 1HB GLN 3 9.788 -18.119 6.299 18 HG2 GLN 3 2HG GLN 3 9.355 -15.133 5.937 19 HG3 GLN 3 1HG GLN 3 8.066 -16.324 5.829 20 HE21 GLN 3 1HE2 GLN 3 8.448 -14.065 7.687 21 HE22 GLN 3 2HE2 GLN 3 8.378 -14.741 9.275 22 H SER 4 H SER 4 11.576 -16.006 3.752 23 HA SER 4 HA SER 4 13.192 -13.721 3.871 24 HB2 SER 4 2HB SER 4 12.111 -13.131 1.656 25 HB3 SER 4 1HB SER 4 12.687 -14.794 1.746 26 HG SER 4 HG SER 4 9.993 -13.932 2.121 27 H ASP 5 H ASP 5 9.789 -14.104 4.543 28 HA ASP 5 HA ASP 5 8.964 -11.400 4.443 29 HB2 ASP 5 2HB ASP 5 7.697 -13.784 5.859 30 HB3 ASP 5 1HB ASP 5 6.921 -12.207 5.655 31 H LYS 6 H LYS 6 10.616 -13.225 6.894 32 HA LYS 6 HA LYS 6 10.060 -11.698 9.208 33 HB2 LYS 6 2HB LYS 6 11.191 -13.896 9.274 34 HB3 LYS 6 1HB LYS 6 12.569 -13.237 8.419 35 HG2 LYS 6 2HG LYS 6 13.280 -13.423 10.662 36 HG3 LYS 6 1HG LYS 6 12.947 -11.707 10.443 37 HD2 LYS 6 2HD LYS 6 10.865 -13.569 11.646 38 HD3 LYS 6 1HD LYS 6 12.146 -12.889 12.643 39 HE2 LYS 6 2HE LYS 6 11.358 -10.629 12.192 40 HE3 LYS 6 1HE LYS 6 10.165 -11.224 11.042 41 HZ1 LYS 6 1HZ LYS 6 9.044 -12.362 12.837 42 HZ2 LYS 6 2HZ LYS 6 9.178 -10.707 13.168 43 HZ3 LYS 6 3HZ LYS 6 10.197 -11.810 13.944 44 H ASP 7 H ASP 7 12.269 -11.242 6.524 45 HA ASP 7 HA ASP 7 13.445 -8.784 7.598 46 HB2 ASP 7 2HB ASP 7 14.836 -10.489 6.355 47 HB3 ASP 7 1HB ASP 7 13.878 -10.171 4.914 48 H VAL 8 H VAL 8 11.743 -9.752 4.606 49 HA VAL 8 HA VAL 8 10.357 -7.162 4.421 50 HB VAL 8 HB VAL 8 12.311 -6.937 2.983 51 HG11 VAL 8 1HG1 VAL 8 12.901 -9.301 2.652 52 HG12 VAL 8 2HG1 VAL 8 12.833 -8.455 1.106 53 HG13 VAL 8 3HG1 VAL 8 11.508 -9.518 1.586 54 HG21 VAL 8 1HG2 VAL 8 10.237 -5.950 2.114 55 HG22 VAL 8 2HG2 VAL 8 9.857 -7.451 1.265 56 HG23 VAL 8 3HG2 VAL 8 11.267 -6.500 0.789 57 H LYS 9 H LYS 9 8.182 -7.470 4.088 58 HA LYS 9 HA LYS 9 7.222 -10.207 4.078 59 HB2 LYS 9 2HB LYS 9 5.697 -7.586 4.282 60 HB3 LYS 9 1HB LYS 9 5.004 -9.187 4.541 61 HG2 LYS 9 2HG LYS 9 6.493 -9.505 6.493 62 HG3 LYS 9 1HG LYS 9 7.175 -7.892 6.226 63 HD2 LYS 9 2HD LYS 9 4.881 -6.920 6.551 64 HD3 LYS 9 1HD LYS 9 4.274 -8.534 6.921 65 HE2 LYS 9 2HE LYS 9 5.741 -8.630 8.898 66 HE3 LYS 9 1HE LYS 9 6.388 -7.034 8.508 67 HZ1 LYS 9 1HZ LYS 9 3.544 -7.609 9.117 68 HZ2 LYS 9 2HZ LYS 9 4.231 -6.087 8.848 69 HZ3 LYS 9 3HZ LYS 9 4.662 -6.977 10.218 70 H TYR 10 H TYR 10 6.368 -11.285 2.413 71 HA TYR 10 HA TYR 10 6.194 -10.081 -0.217 72 HB2 TYR 10 2HB TYR 10 6.127 -12.923 0.823 73 HB3 TYR 10 1HB TYR 10 5.666 -12.568 -0.842 74 HD1 TYR 10 HD1 TYR 10 8.465 -11.541 1.491 75 HD2 TYR 10 HD2 TYR 10 7.357 -12.942 -2.391 76 HE1 TYR 10 HE1 TYR 10 10.822 -11.534 0.810 77 HE2 TYR 10 HE2 TYR 10 9.708 -12.934 -3.066 78 HH TYR 10 HH TYR 10 11.791 -11.859 -2.438 79 H TYR 11 H TYR 11 4.427 -8.967 -0.565 80 HA TYR 11 HA TYR 11 1.753 -9.940 0.164 81 HB2 TYR 11 2HB TYR 11 2.923 -7.218 -0.423 82 HB3 TYR 11 1HB TYR 11 1.213 -7.469 -0.765 83 HD1 TYR 11 HD1 TYR 11 3.696 -8.056 2.050 84 HD2 TYR 11 HD2 TYR 11 -0.298 -7.000 0.917 85 HE1 TYR 11 HE1 TYR 11 3.106 -7.714 4.412 86 HE2 TYR 11 HE2 TYR 11 -0.880 -6.671 3.256 87 HH TYR 11 HH TYR 11 -0.171 -7.378 5.440 88 H THR 12 H THR 12 0.128 -10.187 -1.341 89 HA THR 12 HA THR 12 0.796 -10.042 -4.212 90 HB THR 12 HB THR 12 -1.263 -11.292 -4.643 91 HG1 THR 12 HG1 THR 12 -2.758 -11.690 -3.121 92 HG21 THR 12 1HG2 THR 12 -0.871 -13.404 -3.452 93 HG22 THR 12 2HG2 THR 12 0.191 -12.579 -2.310 94 HG23 THR 12 3HG2 THR 12 0.647 -12.700 -4.013 95 H LEU 13 H LEU 13 -0.329 -8.592 -5.522 96 HA LEU 13 HA LEU 13 -1.550 -6.298 -4.384 97 HB2 LEU 13 2HB LEU 13 -0.365 -6.497 -6.670 98 HB3 LEU 13 1HB LEU 13 -1.862 -7.178 -7.283 99 HG LEU 13 HG LEU 13 -3.064 -5.080 -6.825 100 HD11 LEU 13 1HD1 LEU 13 -1.892 -3.082 -5.957 101 HD12 LEU 13 2HD1 LEU 13 -0.448 -4.057 -5.664 102 HD13 LEU 13 3HD1 LEU 13 -1.940 -4.390 -4.778 103 HD21 LEU 13 1HD2 LEU 13 -1.891 -5.251 -8.986 104 HD22 LEU 13 2HD2 LEU 13 -0.450 -4.522 -8.273 105 HD23 LEU 13 3HD2 LEU 13 -1.941 -3.585 -8.415 106 H GLU 14 H GLU 14 -2.701 -9.348 -5.595 107 HA GLU 14 HA GLU 14 -5.447 -8.989 -5.889 108 HB2 GLU 14 2HB GLU 14 -3.970 -10.995 -6.520 109 HB3 GLU 14 1HB GLU 14 -4.060 -11.498 -4.837 110 HG2 GLU 14 2HG GLU 14 -6.489 -11.172 -6.630 111 HG3 GLU 14 1HG GLU 14 -5.605 -12.684 -6.474 112 H GLU 15 H GLU 15 -3.538 -9.729 -2.981 113 HA GLU 15 HA GLU 15 -5.638 -10.115 -1.131 114 HB2 GLU 15 2HB GLU 15 -3.292 -10.761 -0.679 115 HB3 GLU 15 1HB GLU 15 -2.820 -9.063 -0.641 116 HG2 GLU 15 2HG GLU 15 -4.195 -8.706 1.367 117 HG3 GLU 15 1HG GLU 15 -4.749 -10.380 1.306 118 H ILE 16 H ILE 16 -3.833 -7.238 -2.096 119 HA ILE 16 HA ILE 16 -5.015 -5.428 -0.239 120 HB ILE 16 HB ILE 16 -3.579 -4.726 -2.842 121 HG12 ILE 16 2HG1 ILE 16 -2.324 -5.194 -0.088 122 HG13 ILE 16 1HG1 ILE 16 -2.219 -6.322 -1.435 123 HG21 ILE 16 1HG2 ILE 16 -3.875 -3.161 -0.242 124 HG22 ILE 16 2HG2 ILE 16 -4.736 -2.830 -1.746 125 HG23 ILE 16 3HG2 ILE 16 -2.987 -2.628 -1.675 126 HD11 ILE 16 1HD1 ILE 16 -0.182 -5.047 -1.208 127 HD12 ILE 16 2HD1 ILE 16 -1.073 -3.532 -1.353 128 HD13 ILE 16 3HD1 ILE 16 -0.982 -4.640 -2.726 129 H GLN 17 H GLN 17 -5.864 -6.519 -3.482 130 HA GLN 17 HA GLN 17 -7.659 -4.468 -4.261 131 HB2 GLN 17 2HB GLN 17 -7.596 -7.401 -5.081 132 HB3 GLN 17 1HB GLN 17 -8.614 -6.186 -5.850 133 HG2 GLN 17 2HG GLN 17 -5.585 -6.200 -5.816 134 HG3 GLN 17 1HG GLN 17 -6.610 -6.659 -7.173 135 HE21 GLN 17 1HE2 GLN 17 -5.315 -4.009 -5.315 136 HE22 GLN 17 2HE2 GLN 17 -5.838 -2.746 -6.370 137 H LYS 18 H LYS 18 -8.026 -7.073 -2.000 138 HA LYS 18 HA LYS 18 -10.933 -7.005 -1.891 139 HB2 LYS 18 2HB LYS 18 -8.818 -8.456 -0.245 140 HB3 LYS 18 1HB LYS 18 -10.543 -8.555 0.118 141 HG2 LYS 18 2HG LYS 18 -10.955 -9.501 -2.142 142 HG3 LYS 18 1HG LYS 18 -9.217 -9.450 -2.472 143 HD2 LYS 18 2HD LYS 18 -10.481 -11.023 -0.187 144 HD3 LYS 18 1HD LYS 18 -10.101 -11.709 -1.769 145 HE2 LYS 18 2HE LYS 18 -8.047 -10.445 0.086 146 HE3 LYS 18 1HE LYS 18 -8.362 -12.181 -0.032 147 HZ1 LYS 18 1HZ LYS 18 -6.472 -11.525 -1.371 148 HZ2 LYS 18 2HZ LYS 18 -7.430 -10.444 -2.252 149 HZ3 LYS 18 3HZ LYS 18 -7.715 -12.105 -2.359 150 H HIS 19 H HIS 19 -9.746 -4.487 -1.496 151 HA HIS 19 HA HIS 19 -9.567 -3.800 1.290 152 HB2 HIS 19 2HB HIS 19 -9.346 -1.414 0.300 153 HB3 HIS 19 1HB HIS 19 -8.083 -2.583 -0.066 154 HD1 HIS 19 HD1 HIS 19 -7.348 -2.387 -2.407 155 HD2 HIS 19 HD2 HIS 19 -11.365 -1.461 -2.073 156 HE1 HIS 19 HE1 HIS 19 -8.096 -1.802 -4.708 157 HE2 HIS 19 HE2 HIS 19 -10.483 -1.065 -4.444 158 H LYS 20 H LYS 20 -11.624 -4.339 2.130 159 HA LYS 20 HA LYS 20 -13.592 -2.162 1.709 160 HB2 LYS 20 2HB LYS 20 -14.343 -5.056 2.338 161 HB3 LYS 20 1HB LYS 20 -15.461 -3.707 2.276 162 HG2 LYS 20 2HG LYS 20 -15.847 -4.658 0.200 163 HG3 LYS 20 1HG LYS 20 -14.619 -3.467 -0.222 164 HD2 LYS 20 2HD LYS 20 -14.081 -5.572 -1.317 165 HD3 LYS 20 1HD LYS 20 -12.873 -5.245 -0.072 166 HE2 LYS 20 2HE LYS 20 -14.270 -6.769 1.459 167 HE3 LYS 20 1HE LYS 20 -15.142 -7.244 0.002 168 HZ1 LYS 20 1HZ LYS 20 -13.031 -7.975 -0.929 169 HZ2 LYS 20 2HZ LYS 20 -13.415 -8.780 0.503 170 HZ3 LYS 20 3HZ LYS 20 -12.245 -7.568 0.516 171 H ASP 21 H ASP 21 -11.285 -2.745 3.618 172 HA ASP 21 HA ASP 21 -12.688 -1.893 6.038 173 HB2 ASP 21 2HB ASP 21 -12.219 -4.553 5.895 174 HB3 ASP 21 1HB ASP 21 -10.623 -4.072 6.454 175 H SER 22 H SER 22 -11.154 -1.033 7.656 176 HA SER 22 HA SER 22 -9.357 0.791 6.443 177 HB2 SER 22 2HB SER 22 -9.594 0.167 9.415 178 HB3 SER 22 1HB SER 22 -9.024 1.668 8.678 179 HG SER 22 HG SER 22 -11.011 2.266 8.802 180 H LYS 23 H LYS 23 -8.886 -2.213 8.365 181 HA LYS 23 HA LYS 23 -6.020 -1.904 8.389 182 HB2 LYS 23 2HB LYS 23 -5.825 -4.059 9.456 183 HB3 LYS 23 1HB LYS 23 -7.053 -3.103 10.258 184 HG2 LYS 23 2HG LYS 23 -7.891 -5.140 8.196 185 HG3 LYS 23 1HG LYS 23 -7.390 -5.691 9.797 186 HD2 LYS 23 2HD LYS 23 -9.115 -4.059 10.756 187 HD3 LYS 23 1HD LYS 23 -9.710 -3.857 9.100 188 HE2 LYS 23 2HE LYS 23 -10.221 -6.255 8.984 189 HE3 LYS 23 1HE LYS 23 -9.560 -6.496 10.603 190 HZ1 LYS 23 1HZ LYS 23 -11.997 -6.344 10.547 191 HZ2 LYS 23 2HZ LYS 23 -11.882 -4.754 9.983 192 HZ3 LYS 23 3HZ LYS 23 -11.291 -5.153 11.515 193 H SER 24 H SER 24 -8.307 -3.462 6.235 194 HA SER 24 HA SER 24 -6.170 -4.600 4.595 195 HB2 SER 24 2HB SER 24 -9.184 -4.407 4.114 196 HB3 SER 24 1HB SER 24 -8.034 -5.278 3.084 197 HG SER 24 HG SER 24 -7.503 -6.515 4.983 198 H THR 25 H THR 25 -5.139 -2.405 4.561 199 HA THR 25 HA THR 25 -5.835 -1.006 2.098 200 HB THR 25 HB THR 25 -5.490 0.581 4.687 201 HG1 THR 25 HG1 THR 25 -7.564 -0.405 4.583 202 HG21 THR 25 1HG2 THR 25 -6.093 2.541 3.313 203 HG22 THR 25 2HG2 THR 25 -6.198 1.515 1.880 204 HG23 THR 25 3HG2 THR 25 -4.644 1.758 2.676 205 H TRP 26 H TRP 26 -4.014 -1.017 1.018 206 HA TRP 26 HA TRP 26 -1.439 -0.224 2.182 207 HB2 TRP 26 2HB TRP 26 -1.821 -2.787 0.565 208 HB3 TRP 26 1HB TRP 26 -0.266 -2.116 1.036 209 HD1 TRP 26 HD TRP 26 0.390 -2.322 3.694 210 HE1 TRP 26 HE1 TRP 26 -0.380 -3.991 5.482 211 HE3 TRP 26 HE3 TRP 26 -3.753 -4.169 1.348 212 HZ2 TRP 26 HZ2 TRP 26 -2.464 -5.852 5.857 213 HZ3 TRP 26 HZ3 TRP 26 -5.078 -5.911 2.479 214 HH2 TRP 26 HH TRP 26 -4.441 -6.735 4.695 215 H VAL 27 H VAL 27 0.096 0.415 0.436 216 HA VAL 27 HA VAL 27 -1.067 0.721 -2.278 217 HB VAL 27 HB VAL 27 0.003 2.994 -2.501 218 HG11 VAL 27 1HG1 VAL 27 -2.146 2.821 -0.355 219 HG12 VAL 27 2HG1 VAL 27 -2.413 2.853 -2.100 220 HG13 VAL 27 3HG1 VAL 27 -1.739 4.267 -1.286 221 HG21 VAL 27 1HG2 VAL 27 1.670 2.823 -0.686 222 HG22 VAL 27 2HG2 VAL 27 0.381 2.809 0.521 223 HG23 VAL 27 3HG2 VAL 27 0.654 4.250 -0.461 224 H ILE 28 H ILE 28 0.496 0.766 -3.976 225 HA ILE 28 HA ILE 28 3.200 -0.177 -3.213 226 HB ILE 28 HB ILE 28 3.168 -1.791 -5.065 227 HG12 ILE 28 2HG1 ILE 28 0.608 -2.209 -6.026 228 HG13 ILE 28 1HG1 ILE 28 0.554 -0.464 -5.836 229 HG21 ILE 28 1HG2 ILE 28 0.739 -2.037 -3.255 230 HG22 ILE 28 2HG2 ILE 28 2.383 -2.574 -2.904 231 HG23 ILE 28 3HG2 ILE 28 1.450 -3.366 -4.172 232 HD11 ILE 28 1HD1 ILE 28 2.570 -1.976 -7.496 233 HD12 ILE 28 2HD1 ILE 28 2.422 -0.223 -7.351 234 HD13 ILE 28 3HD1 ILE 28 1.128 -1.156 -8.099 235 H LEU 29 H LEU 29 4.880 0.896 -4.146 236 HA LEU 29 HA LEU 29 4.255 3.143 -5.910 237 HB2 LEU 29 2HB LEU 29 6.356 4.041 -5.435 238 HB3 LEU 29 1HB LEU 29 5.958 3.221 -3.940 239 HG LEU 29 HG LEU 29 7.871 2.133 -6.055 240 HD11 LEU 29 1HD1 LEU 29 9.683 2.694 -4.507 241 HD12 LEU 29 2HD1 LEU 29 8.522 3.469 -3.422 242 HD13 LEU 29 3HD1 LEU 29 8.802 4.125 -5.036 243 HD21 LEU 29 1HD2 LEU 29 8.559 0.501 -4.347 244 HD22 LEU 29 2HD2 LEU 29 6.855 0.330 -4.759 245 HD23 LEU 29 3HD2 LEU 29 7.319 1.119 -3.253 246 H HIS 30 H HIS 30 5.382 -0.081 -6.197 247 HA HIS 30 HA HIS 30 5.533 -0.228 -8.979 248 HB2 HIS 30 2HB HIS 30 7.552 1.194 -8.820 249 HB3 HIS 30 1HB HIS 30 8.258 0.098 -7.639 250 HD1 HIS 30 HD1 HIS 30 10.024 -1.285 -8.665 251 HD2 HIS 30 HD2 HIS 30 7.010 -0.422 -11.389 252 HE1 HIS 30 HE1 HIS 30 10.703 -2.405 -10.802 253 HE2 HIS 30 HE2 HIS 30 8.818 -1.958 -12.403 254 H HIS 31 H HIS 31 7.695 -1.505 -6.422 255 HA HIS 31 HA HIS 31 6.600 -4.227 -6.777 256 HB2 HIS 31 2HB HIS 31 8.617 -4.167 -8.142 257 HB3 HIS 31 1HB HIS 31 9.535 -3.405 -6.855 258 HD1 HIS 31 HD1 HIS 31 10.886 -4.968 -5.448 259 HD2 HIS 31 HD2 HIS 31 7.837 -6.961 -7.419 260 HE1 HIS 31 HE1 HIS 31 11.204 -7.385 -4.900 261 HE2 HIS 31 HE2 HIS 31 9.170 -8.504 -5.843 262 H LYS 32 H LYS 32 7.293 -1.749 -4.614 263 HA LYS 32 HA LYS 32 7.323 -3.666 -2.357 264 HB2 LYS 32 2HB LYS 32 8.375 -0.819 -2.410 265 HB3 LYS 32 1HB LYS 32 8.157 -1.753 -0.930 266 HG2 LYS 32 2HG LYS 32 9.764 -3.443 -1.782 267 HG3 LYS 32 1HG LYS 32 10.024 -2.456 -3.227 268 HD2 LYS 32 2HD LYS 32 10.657 -1.683 -0.349 269 HD3 LYS 32 1HD LYS 32 11.824 -2.089 -1.611 270 HE2 LYS 32 2HE LYS 32 9.962 0.324 -1.640 271 HE3 LYS 32 1HE LYS 32 11.683 0.349 -1.250 272 HZ1 LYS 32 1HZ LYS 32 10.652 -0.627 -3.837 273 HZ2 LYS 32 2HZ LYS 32 12.241 -0.210 -3.437 274 HZ3 LYS 32 3HZ LYS 32 11.058 0.988 -3.569 275 H VAL 33 H VAL 33 5.838 -3.552 -0.873 276 HA VAL 33 HA VAL 33 3.475 -1.850 -1.296 277 HB VAL 33 HB VAL 33 3.058 -4.287 -1.248 278 HG11 VAL 33 1HG1 VAL 33 3.459 -5.645 0.783 279 HG12 VAL 33 2HG1 VAL 33 4.272 -4.273 1.535 280 HG13 VAL 33 3HG1 VAL 33 4.960 -5.023 0.098 281 HG21 VAL 33 1HG2 VAL 33 1.995 -2.944 1.268 282 HG22 VAL 33 2HG2 VAL 33 1.309 -4.384 0.504 283 HG23 VAL 33 3HG2 VAL 33 1.288 -2.836 -0.347 284 H TYR 34 H TYR 34 2.656 -0.601 0.354 285 HA TYR 34 HA TYR 34 4.314 -0.054 2.739 286 HB2 TYR 34 2HB TYR 34 2.747 1.955 1.044 287 HB3 TYR 34 1HB TYR 34 3.602 2.338 2.537 288 HD1 TYR 34 HD1 TYR 34 4.002 1.516 -1.045 289 HD2 TYR 34 HD2 TYR 34 6.058 2.449 2.587 290 HE1 TYR 34 HE1 TYR 34 6.055 1.932 -2.310 291 HE2 TYR 34 HE2 TYR 34 8.112 2.865 1.318 292 HH TYR 34 HH TYR 34 9.109 2.279 -0.804 293 H ASP 35 H ASP 35 3.176 0.540 4.571 294 HA ASP 35 HA ASP 35 0.622 -0.788 4.895 295 HB2 ASP 35 2HB ASP 35 2.588 -1.194 6.436 296 HB3 ASP 35 1HB ASP 35 2.473 0.474 6.978 297 H LEU 36 H LEU 36 -0.829 0.591 4.005 298 HA LEU 36 HA LEU 36 -0.799 3.446 4.573 299 HB2 LEU 36 2HB LEU 36 -1.397 2.072 2.300 300 HB3 LEU 36 1HB LEU 36 -3.011 2.209 2.956 301 HG LEU 36 HG LEU 36 -2.488 3.989 1.293 302 HD11 LEU 36 1HD1 LEU 36 -2.890 5.147 4.049 303 HD12 LEU 36 2HD1 LEU 36 -4.150 4.461 3.022 304 HD13 LEU 36 3HD1 LEU 36 -3.292 5.911 2.508 305 HD21 LEU 36 1HD2 LEU 36 -0.425 4.986 3.282 306 HD22 LEU 36 2HD2 LEU 36 -0.874 5.751 1.755 307 HD23 LEU 36 3HD2 LEU 36 -0.069 4.187 1.752 308 H THR 37 H THR 37 -2.304 0.588 5.782 309 HA THR 37 HA THR 37 -4.645 1.649 6.904 310 HB THR 37 HB THR 37 -4.510 -0.714 6.819 311 HG1 THR 37 HG1 THR 37 -5.539 0.246 8.701 312 HG21 THR 37 1HG2 THR 37 -2.072 -1.048 6.945 313 HG22 THR 37 2HG2 THR 37 -2.926 -2.083 8.093 314 HG23 THR 37 3HG2 THR 37 -2.102 -0.628 8.659 315 H LYS 38 H LYS 38 -1.314 1.737 8.156 316 HA LYS 38 HA LYS 38 -2.084 2.996 10.652 317 HB2 LYS 38 2HB LYS 38 0.028 1.700 10.451 318 HB3 LYS 38 1HB LYS 38 0.634 2.869 9.296 319 HG2 LYS 38 2HG LYS 38 1.724 3.354 11.349 320 HG3 LYS 38 1HG LYS 38 0.522 4.623 11.137 321 HD2 LYS 38 2HD LYS 38 -0.011 2.177 12.869 322 HD3 LYS 38 1HD LYS 38 0.811 3.599 13.506 323 HE2 LYS 38 2HE LYS 38 -1.196 4.970 12.914 324 HE3 LYS 38 1HE LYS 38 -2.014 3.508 12.375 325 HZ1 LYS 38 1HZ LYS 38 -1.691 2.648 14.667 326 HZ2 LYS 38 2HZ LYS 38 -2.720 3.982 14.546 327 HZ3 LYS 38 3HZ LYS 38 -1.143 4.187 15.116 328 H PHE 39 H PHE 39 -1.034 4.006 7.482 329 HA PHE 39 HA PHE 39 -0.333 6.692 7.962 330 HB2 PHE 39 2HB PHE 39 0.356 5.263 6.026 331 HB3 PHE 39 1HB PHE 39 -1.277 5.357 5.393 332 HD1 PHE 39 HD1 PHE 39 1.853 7.263 5.988 333 HD2 PHE 39 HD2 PHE 39 -2.013 7.321 4.138 334 HE1 PHE 39 HE1 PHE 39 2.504 9.211 4.641 335 HE2 PHE 39 HE2 PHE 39 -1.333 9.264 2.808 336 HZ PHE 39 HZ PHE 39 0.925 10.199 3.049 337 H LEU 40 H LEU 40 -3.455 5.202 7.140 338 HA LEU 40 HA LEU 40 -4.840 7.646 6.609 339 HB2 LEU 40 2HB LEU 40 -6.884 6.301 6.595 340 HB3 LEU 40 1HB LEU 40 -5.620 5.572 5.634 341 HG LEU 40 HG LEU 40 -5.254 4.102 7.871 342 HD11 LEU 40 1HD1 LEU 40 -7.356 3.514 8.975 343 HD12 LEU 40 2HD1 LEU 40 -8.204 4.766 8.059 344 HD13 LEU 40 3HD1 LEU 40 -6.957 5.213 9.225 345 HD21 LEU 40 1HD2 LEU 40 -7.423 3.531 5.829 346 HD22 LEU 40 2HD2 LEU 40 -6.695 2.342 6.911 347 HD23 LEU 40 3HD2 LEU 40 -5.708 3.135 5.688 348 H GLU 41 H GLU 41 -4.130 5.809 9.488 349 HA GLU 41 HA GLU 41 -6.066 7.062 11.212 350 HB2 GLU 41 2HB GLU 41 -3.579 5.406 11.808 351 HB3 GLU 41 1HB GLU 41 -4.693 5.982 13.050 352 HG2 GLU 41 2HG GLU 41 -6.507 4.660 12.061 353 HG3 GLU 41 1HG GLU 41 -5.418 4.109 10.779 354 H GLU 42 H GLU 42 -3.045 8.035 9.948 355 HA GLU 42 HA GLU 42 -2.061 9.500 12.193 356 HB2 GLU 42 2HB GLU 42 -1.290 9.659 9.262 357 HB3 GLU 42 1HB GLU 42 -0.397 10.419 10.578 358 HG2 GLU 42 2HG GLU 42 -0.784 7.457 10.085 359 HG3 GLU 42 1HG GLU 42 0.712 8.369 9.913 360 H TRP 43 H TRP 43 -3.013 10.871 9.000 361 HA TRP 43 HA TRP 43 -3.758 13.364 10.422 362 HB2 TRP 43 2HB TRP 43 -2.822 13.011 7.557 363 HB3 TRP 43 1HB TRP 43 -3.399 14.531 8.220 364 HD1 TRP 43 HD TRP 43 -0.942 12.286 10.183 365 HE1 TRP 43 HE1 TRP 43 1.291 13.499 10.393 366 HE3 TRP 43 HE3 TRP 43 -1.901 16.296 7.159 367 HZ2 TRP 43 HZ2 TRP 43 2.525 15.837 9.427 368 HZ3 TRP 43 HZ3 TRP 43 -0.129 17.976 6.844 369 HH2 TRP 43 HH TRP 43 2.039 17.748 7.954 370 HA PRO 44 HA PRO 44 -7.238 13.192 7.049 371 HB2 PRO 44 2HB PRO 44 -7.849 10.844 5.710 372 HB3 PRO 44 1HB PRO 44 -6.663 12.025 5.108 373 HG2 PRO 44 2HG PRO 44 -6.191 9.461 6.596 374 HG3 PRO 44 1HG PRO 44 -5.324 10.131 5.193 375 HD2 PRO 44 2HD PRO 44 -4.336 10.334 7.726 376 HD3 PRO 44 1HD PRO 44 -4.049 11.582 6.498 377 H GLY 45 H GLY 45 -6.870 10.162 8.861 378 HA2 GLY 45 2HA GLY 45 -8.157 9.100 10.411 379 HA3 GLY 45 1HA GLY 45 -9.062 10.597 10.587 380 H GLY 46 H GLY 46 -9.063 9.419 7.374 381 HA2 GLY 46 2HA GLY 46 -11.617 7.940 7.676 382 HA3 GLY 46 1HA GLY 46 -11.484 9.301 6.553 383 H GLU 47 H GLU 47 -10.904 6.000 7.042 384 HA GLU 47 HA GLU 47 -8.836 5.454 5.244 385 HB2 GLU 47 2HB GLU 47 -9.542 3.125 5.303 386 HB3 GLU 47 1HB GLU 47 -9.654 3.802 6.920 387 HG2 GLU 47 2HG GLU 47 -11.998 3.308 5.041 388 HG3 GLU 47 1HG GLU 47 -11.512 2.263 6.376 389 H GLU 48 H GLU 48 -12.302 5.885 4.723 390 HA GLU 48 HA GLU 48 -12.904 4.470 2.495 391 HB2 GLU 48 2HB GLU 48 -14.723 6.163 2.129 392 HB3 GLU 48 1HB GLU 48 -14.573 5.603 3.794 393 HG2 GLU 48 2HG GLU 48 -13.311 7.692 4.342 394 HG3 GLU 48 1HG GLU 48 -13.579 8.263 2.696 395 H VAL 49 H VAL 49 -11.268 7.646 2.461 396 HA VAL 49 HA VAL 49 -11.648 8.191 -0.314 397 HB VAL 49 HB VAL 49 -11.303 9.977 1.357 398 HG11 VAL 49 1HG1 VAL 49 -9.650 8.872 2.823 399 HG12 VAL 49 2HG1 VAL 49 -9.093 10.472 2.334 400 HG13 VAL 49 3HG1 VAL 49 -8.414 9.031 1.571 401 HG21 VAL 49 1HG2 VAL 49 -10.821 10.483 -1.003 402 HG22 VAL 49 2HG2 VAL 49 -9.138 9.995 -0.779 403 HG23 VAL 49 3HG2 VAL 49 -9.767 11.409 0.071 404 H LEU 50 H LEU 50 -9.141 6.502 1.449 405 HA LEU 50 HA LEU 50 -7.386 6.293 -0.938 406 HB2 LEU 50 2HB LEU 50 -5.598 5.777 0.870 407 HB3 LEU 50 1HB LEU 50 -6.147 7.424 0.671 408 HG LEU 50 HG LEU 50 -7.738 6.964 2.680 409 HD11 LEU 50 1HD1 LEU 50 -7.025 5.263 4.274 410 HD12 LEU 50 2HD1 LEU 50 -5.817 4.673 3.133 411 HD13 LEU 50 3HD1 LEU 50 -7.533 4.542 2.752 412 HD21 LEU 50 1HD2 LEU 50 -6.016 7.557 4.330 413 HD22 LEU 50 2HD2 LEU 50 -5.813 8.481 2.843 414 HD23 LEU 50 3HD2 LEU 50 -4.746 7.118 3.186 415 H ARG 51 H ARG 51 -9.347 4.547 1.194 416 HA ARG 51 HA ARG 51 -8.073 1.973 1.046 417 HB2 ARG 51 2HB ARG 51 -9.341 2.664 3.061 418 HB3 ARG 51 1HB ARG 51 -10.810 2.800 2.113 419 HG2 ARG 51 2HG ARG 51 -9.426 0.127 2.239 420 HG3 ARG 51 1HG ARG 51 -10.317 0.676 3.661 421 HD2 ARG 51 2HD ARG 51 -11.461 0.334 0.861 422 HD3 ARG 51 1HD ARG 51 -11.691 -0.778 2.213 423 HE ARG 51 HE ARG 51 -12.705 1.320 3.340 424 HH11 ARG 51 1HH1 ARG 51 -13.086 0.515 -0.066 425 HH12 ARG 51 2HH1 ARG 51 -14.612 1.326 -0.193 426 HH21 ARG 51 1HH2 ARG 51 -14.710 2.327 3.138 427 HH22 ARG 51 2HH2 ARG 51 -15.522 2.344 1.606 428 H GLU 52 H GLU 52 -10.710 3.709 -0.529 429 HA GLU 52 HA GLU 52 -11.871 1.658 -2.037 430 HB2 GLU 52 2HB GLU 52 -12.732 3.466 -3.484 431 HB3 GLU 52 1HB GLU 52 -12.878 3.886 -1.780 432 HG2 GLU 52 2HG GLU 52 -10.875 5.319 -1.958 433 HG3 GLU 52 1HG GLU 52 -10.726 4.909 -3.666 434 H GLN 53 H GLN 53 -8.863 3.327 -2.454 435 HA GLN 53 HA GLN 53 -8.284 1.894 -4.975 436 HB2 GLN 53 2HB GLN 53 -6.888 3.880 -5.601 437 HB3 GLN 53 1HB GLN 53 -8.614 4.189 -5.563 438 HG2 GLN 53 2HG GLN 53 -8.462 5.715 -3.864 439 HG3 GLN 53 1HG GLN 53 -7.190 4.822 -3.033 440 HE21 GLN 53 1HE2 GLN 53 -6.817 5.731 -6.424 441 HE22 GLN 53 2HE2 GLN 53 -5.610 6.927 -6.122 442 H ALA 54 H ALA 54 -7.744 0.979 -2.321 443 HA ALA 54 HA ALA 54 -4.987 1.348 -1.667 444 HB1 ALA 54 1HB ALA 54 -6.614 0.547 -0.004 445 HB2 ALA 54 2HB ALA 54 -5.293 -0.610 -0.192 446 HB3 ALA 54 3HB ALA 54 -6.863 -0.929 -0.937 447 H GLY 55 H GLY 55 -3.294 0.605 -2.817 448 HA2 GLY 55 2HA GLY 55 -1.963 -1.087 -3.809 449 HA3 GLY 55 1HA GLY 55 -3.413 -1.963 -4.266 450 H GLY 56 H GLY 56 -4.027 1.204 -5.028 451 HA2 GLY 56 2HA GLY 56 -3.785 0.903 -7.841 452 HA3 GLY 56 1HA GLY 56 -4.126 2.400 -6.987 453 H ASP 57 H ASP 57 -2.166 3.325 -5.794 454 HA ASP 57 HA ASP 57 0.464 2.738 -6.814 455 HB2 ASP 57 2HB ASP 57 -0.344 4.147 -8.682 456 HB3 ASP 57 1HB ASP 57 -0.891 5.386 -7.558 457 H ALA 58 H ALA 58 2.081 4.220 -5.788 458 HA ALA 58 HA ALA 58 1.215 5.461 -3.251 459 HB1 ALA 58 1HB ALA 58 3.337 4.736 -2.215 460 HB2 ALA 58 2HB ALA 58 3.782 3.885 -3.695 461 HB3 ALA 58 3HB ALA 58 2.398 3.337 -2.754 462 H THR 59 H THR 59 3.716 5.185 -5.766 463 HA THR 59 HA THR 59 5.623 6.930 -5.298 464 HB THR 59 HB THR 59 4.254 6.793 -8.026 465 HG1 THR 59 HG1 THR 59 4.787 4.762 -7.901 466 HG21 THR 59 1HG2 THR 59 6.019 8.528 -7.962 467 HG22 THR 59 2HG2 THR 59 6.523 7.159 -8.955 468 HG23 THR 59 3HG2 THR 59 7.166 7.349 -7.324 469 H GLU 60 H GLU 60 2.629 8.085 -6.911 470 HA GLU 60 HA GLU 60 3.150 10.843 -5.914 471 HB2 GLU 60 2HB GLU 60 1.661 9.977 -8.435 472 HB3 GLU 60 1HB GLU 60 1.881 11.648 -7.901 473 HG2 GLU 60 2HG GLU 60 4.347 11.354 -8.133 474 HG3 GLU 60 1HG GLU 60 4.082 9.724 -8.753 475 H ASN 61 H ASN 61 1.109 8.123 -5.704 476 HA ASN 61 HA ASN 61 -1.450 9.474 -5.616 477 HB2 ASN 61 2HB ASN 61 -1.108 7.230 -6.625 478 HB3 ASN 61 1HB ASN 61 -0.709 6.585 -5.040 479 HD21 ASN 61 1HD2 ASN 61 -2.356 6.250 -3.554 480 HD22 ASN 61 2HD2 ASN 61 -4.018 6.252 -4.011 481 H PHE 62 H PHE 62 0.810 8.236 -3.188 482 HA PHE 62 HA PHE 62 -0.875 8.176 -0.941 483 HB2 PHE 62 2HB PHE 62 1.278 8.440 0.438 484 HB3 PHE 62 1HB PHE 62 1.203 7.068 -0.650 485 HD1 PHE 62 HD1 PHE 62 2.195 10.621 -1.553 486 HD2 PHE 62 HD2 PHE 62 3.492 6.583 -0.979 487 HE1 PHE 62 HE1 PHE 62 4.394 11.189 -2.467 488 HE2 PHE 62 HE2 PHE 62 5.691 7.176 -1.893 489 HZ PHE 62 HZ PHE 62 6.146 9.471 -2.643 490 H GLU 63 H GLU 63 0.437 10.860 -2.643 491 HA GLU 63 HA GLU 63 0.045 12.786 -0.480 492 HB2 GLU 63 2HB GLU 63 2.048 12.878 -1.970 493 HB3 GLU 63 1HB GLU 63 1.000 13.187 -3.352 494 HG2 GLU 63 2HG GLU 63 0.320 15.326 -2.406 495 HG3 GLU 63 1HG GLU 63 1.205 14.991 -0.920 496 H ASP 64 H ASP 64 -1.491 11.641 -3.394 497 HA ASP 64 HA ASP 64 -3.290 13.717 -3.983 498 HB2 ASP 64 2HB ASP 64 -2.857 11.784 -5.517 499 HB3 ASP 64 1HB ASP 64 -3.644 10.702 -4.377 500 H VAL 65 H VAL 65 -3.780 10.760 -2.110 501 HA VAL 65 HA VAL 65 -6.351 11.687 -1.011 502 HB VAL 65 HB VAL 65 -6.558 9.263 -0.266 503 HG11 VAL 65 1HG1 VAL 65 -6.156 9.771 -3.231 504 HG12 VAL 65 2HG1 VAL 65 -7.632 10.103 -2.314 505 HG13 VAL 65 3HG1 VAL 65 -7.084 8.438 -2.534 506 HG21 VAL 65 1HG2 VAL 65 -4.038 8.881 -1.977 507 HG22 VAL 65 2HG2 VAL 65 -5.030 7.585 -1.303 508 HG23 VAL 65 3HG2 VAL 65 -4.136 8.655 -0.224 509 H GLY 66 H GLY 66 -3.092 11.006 -0.047 510 HA2 GLY 66 2HA GLY 66 -3.670 10.764 2.798 511 HA3 GLY 66 1HA GLY 66 -2.092 10.694 2.023 512 H PHE 67 H PHE 67 -0.811 12.317 2.663 513 HA PHE 67 HA PHE 67 -2.009 14.689 3.936 514 HB2 PHE 67 2HB PHE 67 0.957 13.977 3.929 515 HB3 PHE 67 1HB PHE 67 0.091 14.981 5.079 516 HD1 PHE 67 HD1 PHE 67 -2.130 12.384 5.029 517 HD2 PHE 67 HD2 PHE 67 1.955 13.068 6.100 518 HE1 PHE 67 HE1 PHE 67 -2.184 10.448 6.523 519 HE2 PHE 67 HE2 PHE 67 1.856 11.128 7.595 520 HZ PHE 67 HZ PHE 67 -0.196 9.821 7.797 521 H SER 68 H SER 68 -0.041 16.607 3.641 522 HA SER 68 HA SER 68 -0.052 17.429 0.874 523 HB2 SER 68 2HB SER 68 1.484 18.531 3.279 524 HB3 SER 68 1HB SER 68 1.296 19.347 1.723 525 HG SER 68 HG SER 68 -1.115 18.640 2.711 526 H THR 69 H THR 69 2.870 18.411 1.053 527 HA THR 69 HA THR 69 4.145 16.344 -0.343 528 HB THR 69 HB THR 69 5.565 18.575 1.170 529 HG1 THR 69 HG1 THR 69 3.993 18.612 -1.185 530 HG21 THR 69 1HG2 THR 69 7.138 18.506 -0.737 531 HG22 THR 69 2HG2 THR 69 6.218 17.187 -1.461 532 HG23 THR 69 3HG2 THR 69 7.069 16.938 0.067 533 H ASP 70 H ASP 70 3.732 16.809 3.049 534 HA ASP 70 HA ASP 70 5.769 15.410 4.315 535 HB2 ASP 70 2HB ASP 70 2.821 15.191 5.106 536 HB3 ASP 70 1HB ASP 70 4.232 15.064 6.163 537 H ALA 71 H ALA 71 2.919 14.234 2.647 538 HA ALA 71 HA ALA 71 2.669 11.616 3.489 539 HB1 ALA 71 1HB ALA 71 2.042 12.739 0.743 540 HB2 ALA 71 2HB ALA 71 0.981 12.810 2.152 541 HB3 ALA 71 3HB ALA 71 1.378 11.252 1.421 542 H ARG 72 H ARG 72 5.030 12.927 1.271 543 HA ARG 72 HA ARG 72 5.798 10.598 -0.100 544 HB2 ARG 72 2HB ARG 72 7.553 12.975 0.656 545 HB3 ARG 72 1HB ARG 72 7.920 11.773 -0.585 546 HG2 ARG 72 2HG ARG 72 5.907 12.516 -1.860 547 HG3 ARG 72 1HG ARG 72 5.601 13.746 -0.630 548 HD2 ARG 72 2HD ARG 72 6.711 14.806 -2.490 549 HD3 ARG 72 1HD ARG 72 7.850 14.734 -1.141 550 HE ARG 72 HE ARG 72 7.989 12.561 -3.094 551 HH11 ARG 72 1HH1 ARG 72 9.399 15.616 -2.030 552 HH12 ARG 72 2HH1 ARG 72 10.880 15.363 -2.898 553 HH21 ARG 72 1HH2 ARG 72 9.923 12.248 -4.187 554 HH22 ARG 72 2HH2 ARG 72 11.177 13.449 -4.122 555 H GLU 73 H GLU 73 7.563 12.117 2.648 556 HA GLU 73 HA GLU 73 9.178 9.806 3.118 557 HB2 GLU 73 2HB GLU 73 10.006 11.075 5.104 558 HB3 GLU 73 1HB GLU 73 10.061 12.015 3.616 559 HG2 GLU 73 2HG GLU 73 8.001 13.198 4.291 560 HG3 GLU 73 1HG GLU 73 7.948 12.256 5.781 561 H LEU 74 H LEU 74 6.134 10.955 4.467 562 HA LEU 74 HA LEU 74 6.128 9.419 6.859 563 HB2 LEU 74 2HB LEU 74 4.115 11.063 5.380 564 HB3 LEU 74 1HB LEU 74 3.467 9.876 6.488 565 HG LEU 74 HG LEU 74 3.594 12.049 7.578 566 HD11 LEU 74 1HD1 LEU 74 3.885 10.082 8.980 567 HD12 LEU 74 2HD1 LEU 74 4.786 11.454 9.614 568 HD13 LEU 74 3HD1 LEU 74 5.639 10.158 8.769 569 HD21 LEU 74 1HD2 LEU 74 6.590 12.023 7.087 570 HD22 LEU 74 2HD2 LEU 74 5.700 13.205 8.052 571 HD23 LEU 74 3HD2 LEU 74 5.408 13.089 6.321 572 H SER 75 H SER 75 5.088 8.668 3.573 573 HA SER 75 HA SER 75 3.823 6.150 4.314 574 HB2 SER 75 2HB SER 75 3.622 5.809 1.875 575 HB3 SER 75 1HB SER 75 3.064 7.423 2.329 576 HG SER 75 HG SER 75 4.656 8.274 1.242 577 H LYS 76 H LYS 76 6.903 7.261 2.976 578 HA LYS 76 HA LYS 76 8.037 4.817 2.206 579 HB2 LYS 76 2HB LYS 76 9.364 7.399 3.113 580 HB3 LYS 76 1HB LYS 76 10.267 6.045 2.445 581 HG2 LYS 76 2HG LYS 76 8.108 7.602 0.976 582 HG3 LYS 76 1HG LYS 76 9.846 7.858 0.799 583 HD2 LYS 76 2HD LYS 76 8.337 5.304 0.084 584 HD3 LYS 76 1HD LYS 76 8.903 6.530 -1.058 585 HE2 LYS 76 2HE LYS 76 10.662 4.796 0.717 586 HE3 LYS 76 1HE LYS 76 10.427 4.608 -1.018 587 HZ1 LYS 76 1HZ LYS 76 11.647 6.985 0.279 588 HZ2 LYS 76 2HZ LYS 76 11.491 6.723 -1.383 589 HZ3 LYS 76 3HZ LYS 76 12.507 5.733 -0.461 590 H LYS 77 H LYS 77 7.969 6.399 5.379 591 HA LYS 77 HA LYS 77 9.815 4.568 6.619 592 HB2 LYS 77 2HB LYS 77 9.170 5.621 8.747 593 HB3 LYS 77 1HB LYS 77 9.545 6.832 7.529 594 HG2 LYS 77 2HG LYS 77 7.193 7.327 7.198 595 HG3 LYS 77 1HG LYS 77 6.717 5.994 8.257 596 HD2 LYS 77 2HD LYS 77 8.247 8.490 9.108 597 HD3 LYS 77 1HD LYS 77 6.528 8.190 9.389 598 HE2 LYS 77 2HE LYS 77 7.102 6.243 10.811 599 HE3 LYS 77 1HE LYS 77 8.817 6.525 10.517 600 HZ1 LYS 77 1HZ LYS 77 6.964 8.374 11.900 601 HZ2 LYS 77 2HZ LYS 77 8.598 8.670 11.591 602 HZ3 LYS 77 3HZ LYS 77 8.153 7.414 12.629 603 H TYR 78 H TYR 78 6.430 4.521 5.899 604 HA TYR 78 HA TYR 78 5.838 2.286 7.690 605 HB2 TYR 78 2HB TYR 78 4.102 3.871 5.755 606 HB3 TYR 78 1HB TYR 78 3.507 2.484 6.667 607 HD1 TYR 78 HD1 TYR 78 5.364 3.424 9.176 608 HD2 TYR 78 HD2 TYR 78 2.288 5.249 6.820 609 HE1 TYR 78 HE1 TYR 78 4.783 4.862 11.060 610 HE2 TYR 78 HE2 TYR 78 1.713 6.699 8.721 611 HH TYR 78 HH TYR 78 1.953 6.556 11.259 612 H ILE 79 H ILE 79 7.807 1.968 5.458 613 HA ILE 79 HA ILE 79 6.699 0.276 3.482 614 HB ILE 79 HB ILE 79 8.932 1.170 3.132 615 HG12 ILE 79 2HG1 ILE 79 8.993 -1.876 3.406 616 HG13 ILE 79 1HG1 ILE 79 8.466 -0.959 1.999 617 HG21 ILE 79 1HG2 ILE 79 9.710 1.311 5.462 618 HG22 ILE 79 2HG2 ILE 79 10.910 0.511 4.449 619 HG23 ILE 79 3HG2 ILE 79 9.890 -0.445 5.526 620 HD11 ILE 79 1HD1 ILE 79 11.278 -1.123 3.078 621 HD12 ILE 79 2HD1 ILE 79 10.768 -0.148 1.696 622 HD13 ILE 79 3HD1 ILE 79 10.645 -1.905 1.629 623 H ILE 80 H ILE 80 5.690 -1.608 3.813 624 HA ILE 80 HA ILE 80 6.090 -3.057 6.345 625 HB ILE 80 HB ILE 80 3.798 -2.353 5.796 626 HG12 ILE 80 2HG1 ILE 80 4.073 -5.393 5.717 627 HG13 ILE 80 1HG1 ILE 80 4.181 -4.400 7.167 628 HG21 ILE 80 1HG2 ILE 80 3.879 -2.436 3.345 629 HG22 ILE 80 2HG2 ILE 80 2.497 -3.334 3.968 630 HG23 ILE 80 3HG2 ILE 80 3.923 -4.202 3.390 631 HD11 ILE 80 1HD1 ILE 80 2.027 -5.428 7.010 632 HD12 ILE 80 2HD1 ILE 80 1.767 -4.734 5.412 633 HD13 ILE 80 3HD1 ILE 80 1.867 -3.683 6.828 634 H GLY 81 H GLY 81 6.393 -3.467 2.857 635 HA2 GLY 81 2HA GLY 81 8.242 -5.597 3.038 636 HA3 GLY 81 1HA GLY 81 6.636 -6.257 2.709 637 H GLU 82 H GLU 82 7.507 -7.039 0.716 638 HA GLU 82 HA GLU 82 7.570 -4.994 -1.411 639 HB2 GLU 82 2HB GLU 82 8.770 -6.576 -2.824 640 HB3 GLU 82 1HB GLU 82 9.636 -6.386 -1.312 641 HG2 GLU 82 2HG GLU 82 9.813 -8.675 -1.511 642 HG3 GLU 82 1HG GLU 82 8.282 -8.611 -0.643 643 H LEU 83 H LEU 83 6.082 -5.168 -3.049 644 HA LEU 83 HA LEU 83 3.956 -7.136 -2.965 645 HB2 LEU 83 2HB LEU 83 3.874 -4.589 -3.719 646 HB3 LEU 83 1HB LEU 83 4.438 -5.202 -5.259 647 HG LEU 83 HG LEU 83 1.968 -4.842 -5.169 648 HD11 LEU 83 1HD1 LEU 83 2.844 -6.515 -6.740 649 HD12 LEU 83 2HD1 LEU 83 1.222 -6.896 -6.172 650 HD13 LEU 83 3HD1 LEU 83 2.609 -7.771 -5.521 651 HD21 LEU 83 1HD2 LEU 83 0.537 -6.288 -3.824 652 HD22 LEU 83 2HD2 LEU 83 1.618 -5.338 -2.804 653 HD23 LEU 83 3HD2 LEU 83 1.953 -7.049 -3.097 654 H HIS 84 H HIS 84 3.749 -8.859 -4.431 655 HA HIS 84 HA HIS 84 6.038 -10.147 -5.405 656 HB2 HIS 84 2HB HIS 84 3.086 -10.584 -5.978 657 HB3 HIS 84 1HB HIS 84 4.324 -11.601 -6.701 658 HD1 HIS 84 HD1 HIS 84 2.219 -12.849 -4.933 659 HD2 HIS 84 HD2 HIS 84 5.894 -11.515 -3.514 660 HE1 HIS 84 HE1 HIS 84 2.661 -14.162 -2.841 661 HE2 HIS 84 HE2 HIS 84 4.961 -13.466 -2.106 662 HA PRO 85 HA PRO 85 6.954 -7.903 -9.178 663 HB2 PRO 85 2HB PRO 85 8.222 -9.975 -10.609 664 HB3 PRO 85 1HB PRO 85 9.010 -8.961 -9.378 665 HG2 PRO 85 2HG PRO 85 7.799 -11.698 -9.080 666 HG3 PRO 85 1HG PRO 85 9.320 -11.061 -8.412 667 HD2 PRO 85 2HD PRO 85 7.149 -11.269 -6.853 668 HD3 PRO 85 1HD PRO 85 8.221 -9.853 -6.704 669 H ASP 86 H ASP 86 5.246 -10.991 -9.382 670 HA ASP 86 HA ASP 86 4.344 -10.555 -12.110 671 HB2 ASP 86 2HB ASP 86 4.846 -12.845 -11.358 672 HB3 ASP 86 1HB ASP 86 3.607 -12.730 -10.117 673 H ASP 87 H ASP 87 3.002 -10.165 -8.821 674 HA ASP 87 HA ASP 87 0.265 -9.927 -9.704 675 HB2 ASP 87 2HB ASP 87 1.613 -9.444 -7.049 676 HB3 ASP 87 1HB ASP 87 -0.040 -8.916 -7.288 677 H ARG 88 H ARG 88 2.843 -7.615 -8.944 678 HA ARG 88 HA ARG 88 1.244 -5.270 -8.956 679 HB2 ARG 88 2HB ARG 88 3.380 -4.014 -9.164 680 HB3 ARG 88 1HB ARG 88 3.473 -5.256 -7.931 681 HG2 ARG 88 2HG ARG 88 5.522 -5.569 -8.933 682 HG3 ARG 88 1HG ARG 88 4.556 -6.695 -9.882 683 HD2 ARG 88 2HD ARG 88 4.269 -4.707 -11.552 684 HD3 ARG 88 1HD ARG 88 5.620 -3.970 -10.684 685 HE ARG 88 HE ARG 88 6.399 -6.554 -11.343 686 HH11 ARG 88 1HH1 ARG 88 5.570 -3.621 -13.105 687 HH12 ARG 88 2HH1 ARG 88 6.565 -4.026 -14.468 688 HH21 ARG 88 1HH2 ARG 88 7.629 -7.087 -13.156 689 HH22 ARG 88 2HH2 ARG 88 7.731 -5.993 -14.496 690 H SER 89 H SER 89 2.658 -7.196 -11.472 691 HA SER 89 HA SER 89 2.087 -5.285 -13.617 692 HB2 SER 89 2HB SER 89 4.252 -6.480 -13.619 693 HB3 SER 89 1HB SER 89 3.412 -8.029 -13.666 694 HG SER 89 HG SER 89 3.184 -7.805 -15.728 695 H LYS 90 H LYS 90 0.787 -8.160 -12.130 696 HA LYS 90 HA LYS 90 -0.880 -9.123 -14.228 697 HB2 LYS 90 2HB LYS 90 -0.301 -10.506 -12.261 698 HB3 LYS 90 1HB LYS 90 -1.152 -9.393 -11.200 699 HG2 LYS 90 2HG LYS 90 -3.287 -10.010 -12.423 700 HG3 LYS 90 1HG LYS 90 -2.360 -11.254 -13.266 701 HD2 LYS 90 2HD LYS 90 -2.669 -11.084 -10.239 702 HD3 LYS 90 1HD LYS 90 -3.665 -12.095 -11.284 703 HE2 LYS 90 2HE LYS 90 -2.033 -13.563 -10.405 704 HE3 LYS 90 1HE LYS 90 -1.464 -13.209 -12.031 705 HZ1 LYS 90 1HZ LYS 90 0.294 -13.162 -10.344 706 HZ2 LYS 90 2HZ LYS 90 -0.481 -11.868 -9.579 707 HZ3 LYS 90 3HZ LYS 90 0.133 -11.684 -11.143 708 H ILE 91 H ILE 91 -1.756 -7.383 -11.237 709 HA ILE 91 HA ILE 91 -4.226 -6.353 -12.482 710 HB ILE 91 HB ILE 91 -3.529 -6.019 -9.533 711 HG12 ILE 91 2HG1 ILE 91 -4.643 -8.583 -10.781 712 HG13 ILE 91 1HG1 ILE 91 -3.081 -8.407 -10.002 713 HG21 ILE 91 1HG2 ILE 91 -5.552 -4.889 -10.383 714 HG22 ILE 91 2HG2 ILE 91 -5.982 -6.148 -9.228 715 HG23 ILE 91 3HG2 ILE 91 -6.194 -6.431 -10.958 716 HD11 ILE 91 1HD1 ILE 91 -5.765 -8.197 -8.643 717 HD12 ILE 91 2HD1 ILE 91 -4.193 -8.002 -7.861 718 HD13 ILE 91 3HD1 ILE 91 -4.640 -9.554 -8.568 719 H ALA 92 H ALA 92 -1.747 -5.294 -13.348 720 HA ALA 92 HA ALA 92 -0.879 -2.926 -12.107 721 HB1 ALA 92 1HB ALA 92 0.204 -2.421 -14.264 722 HB2 ALA 92 2HB ALA 92 -0.752 -3.681 -15.050 723 HB3 ALA 92 3HB ALA 92 0.439 -4.112 -13.823 724 H LYS 93 H LYS 93 -3.517 -3.606 -14.317 725 HA LYS 93 HA LYS 93 -4.458 -0.785 -14.206 726 HB2 LYS 93 2HB LYS 93 -5.406 -2.878 -16.215 727 HB3 LYS 93 1HB LYS 93 -5.588 -1.124 -16.305 728 HG2 LYS 93 2HG LYS 93 -2.987 -2.676 -16.597 729 HG3 LYS 93 1HG LYS 93 -3.938 -1.991 -17.920 730 HD2 LYS 93 2HD LYS 93 -3.457 0.280 -17.164 731 HD3 LYS 93 1HD LYS 93 -2.682 -0.320 -15.694 732 HE2 LYS 93 2HE LYS 93 -0.879 -1.311 -17.010 733 HE3 LYS 93 1HE LYS 93 -1.672 -0.843 -18.510 734 HZ1 LYS 93 1HZ LYS 93 -1.423 1.495 -17.779 735 HZ2 LYS 93 2HZ LYS 93 0.049 0.703 -18.028 736 HZ3 LYS 93 3HZ LYS 93 -0.518 0.954 -16.455 737 HA PRO 94 HA PRO 94 -7.095 -3.544 -11.591 738 HB2 PRO 94 2HB PRO 94 -7.121 -2.142 -9.300 739 HB3 PRO 94 1HB PRO 94 -5.653 -2.988 -9.834 740 HG2 PRO 94 2HG PRO 94 -6.294 -0.057 -9.983 741 HG3 PRO 94 1HG PRO 94 -4.757 -0.862 -9.595 742 HD2 PRO 94 2HD PRO 94 -5.459 0.156 -12.122 743 HD3 PRO 94 1HD PRO 94 -4.149 -0.999 -11.810 744 H SER 95 H SER 95 -9.263 -3.630 -11.535 745 HA SER 95 HA SER 95 -10.834 -1.630 -12.831 746 HB2 SER 95 2HB SER 95 -11.271 -3.983 -13.252 747 HB3 SER 95 1HB SER 95 -11.535 -4.300 -11.538 748 HG SER 95 HG SER 95 -13.515 -3.716 -11.790 749 H GLU 96 H GLU 96 -11.048 -3.091 -9.562 750 HA GLU 96 HA GLU 96 -12.978 -1.030 -8.699 751 HB2 GLU 96 2HB GLU 96 -12.137 -3.648 -7.373 752 HB3 GLU 96 1HB GLU 96 -13.385 -2.557 -6.767 753 HG2 GLU 96 2HG GLU 96 -14.697 -2.938 -8.838 754 HG3 GLU 96 1HG GLU 96 -13.471 -4.073 -9.403 755 H THR 97 H THR 97 -10.283 -0.229 -9.054 756 HA THR 97 HA THR 97 -9.481 0.503 -6.324 757 HB THR 97 HB THR 97 -7.547 -0.652 -8.368 758 HG1 THR 97 HG1 THR 97 -8.443 -2.437 -7.602 759 HG21 THR 97 1HG2 THR 97 -6.463 0.988 -6.866 760 HG22 THR 97 2HG2 THR 97 -5.896 -0.651 -6.533 761 HG23 THR 97 3HG2 THR 97 -7.074 0.112 -5.460 762 H LEU 98 H LEU 98 -8.333 0.826 -9.708 763 HA LEU 98 HA LEU 98 -7.602 2.535 -10.973 764 HB2 LEU 98 2HB LEU 98 -9.974 3.401 -10.286 765 HB3 LEU 98 1HB LEU 98 -9.132 4.493 -9.210 766 HG LEU 98 HG LEU 98 -8.771 4.467 -12.246 767 HD11 LEU 98 1HD1 LEU 98 -10.139 6.500 -12.295 768 HD12 LEU 98 2HD1 LEU 98 -10.467 6.334 -10.568 769 HD13 LEU 98 3HD1 LEU 98 -11.058 5.115 -11.705 770 HD21 LEU 98 1HD2 LEU 98 -6.817 5.402 -11.105 771 HD22 LEU 98 2HD2 LEU 98 -7.850 6.498 -10.188 772 HD23 LEU 98 3HD2 LEU 98 -7.702 6.680 -11.940 Start of MODEL 2 1 H1 ALA 1 1H ALA 1 13.008 -18.750 13.217 2 H2 ALA 1 2H ALA 1 14.604 -19.134 12.811 3 H3 ALA 1 3H ALA 1 13.556 -20.342 13.354 4 HA ALA 1 HA ALA 1 13.878 -20.478 10.979 5 HB1 ALA 1 1HB ALA 1 11.486 -20.543 10.344 6 HB2 ALA 1 2HB ALA 1 11.072 -19.608 11.784 7 HB3 ALA 1 3HB ALA 1 11.737 -21.231 11.953 8 H GLU 2 H GLU 2 15.037 -19.012 9.755 9 HA GLU 2 HA GLU 2 14.309 -16.246 9.452 10 HB2 GLU 2 2HB GLU 2 16.358 -17.980 8.006 11 HB3 GLU 2 1HB GLU 2 16.076 -16.301 7.572 12 HG2 GLU 2 2HG GLU 2 18.028 -16.434 8.974 13 HG3 GLU 2 1HG GLU 2 16.746 -15.601 9.847 14 H GLN 3 H GLN 3 12.114 -16.473 8.806 15 HA GLN 3 HA GLN 3 11.467 -17.365 6.130 16 HB2 GLN 3 2HB GLN 3 9.752 -17.386 7.940 17 HB3 GLN 3 1HB GLN 3 9.875 -15.638 8.093 18 HG2 GLN 3 2HG GLN 3 7.855 -16.302 6.845 19 HG3 GLN 3 1HG GLN 3 8.943 -15.341 5.843 20 HE21 GLN 3 1HE2 GLN 3 8.141 -16.113 3.901 21 HE22 GLN 3 2HE2 GLN 3 8.365 -17.738 3.356 22 H SER 4 H SER 4 11.041 -15.986 4.343 23 HA SER 4 HA SER 4 12.788 -13.869 3.843 24 HB2 SER 4 2HB SER 4 11.315 -13.475 1.825 25 HB3 SER 4 1HB SER 4 11.752 -15.168 2.049 26 HG SER 4 HG SER 4 9.288 -13.953 2.809 27 H ASP 5 H ASP 5 9.524 -13.894 5.087 28 HA ASP 5 HA ASP 5 8.916 -11.128 4.845 29 HB2 ASP 5 2HB ASP 5 7.610 -13.294 6.540 30 HB3 ASP 5 1HB ASP 5 6.920 -11.701 6.207 31 H LYS 6 H LYS 6 10.614 -12.963 7.239 32 HA LYS 6 HA LYS 6 10.295 -11.456 9.565 33 HB2 LYS 6 2HB LYS 6 11.424 -13.625 9.592 34 HB3 LYS 6 1HB LYS 6 12.717 -13.019 8.573 35 HG2 LYS 6 2HG LYS 6 13.483 -13.241 10.875 36 HG3 LYS 6 1HG LYS 6 13.479 -11.542 10.395 37 HD2 LYS 6 2HD LYS 6 11.287 -11.257 11.589 38 HD3 LYS 6 1HD LYS 6 11.396 -12.936 12.130 39 HE2 LYS 6 2HE LYS 6 13.398 -10.743 12.794 40 HE3 LYS 6 1HE LYS 6 12.133 -11.326 13.875 41 HZ1 LYS 6 1HZ LYS 6 14.436 -12.898 12.841 42 HZ2 LYS 6 2HZ LYS 6 13.186 -13.536 13.784 43 HZ3 LYS 6 3HZ LYS 6 14.210 -12.355 14.427 44 H ASP 7 H ASP 7 12.502 -10.964 6.833 45 HA ASP 7 HA ASP 7 13.516 -8.443 7.941 46 HB2 ASP 7 2HB ASP 7 15.097 -10.029 6.846 47 HB3 ASP 7 1HB ASP 7 14.209 -9.854 5.332 48 H VAL 8 H VAL 8 11.762 -9.627 5.055 49 HA VAL 8 HA VAL 8 10.453 -7.028 4.717 50 HB VAL 8 HB VAL 8 12.430 -6.757 3.329 51 HG11 VAL 8 1HG1 VAL 8 11.691 -9.328 1.887 52 HG12 VAL 8 2HG1 VAL 8 13.063 -9.106 2.976 53 HG13 VAL 8 3HG1 VAL 8 13.004 -8.233 1.444 54 HG21 VAL 8 1HG2 VAL 8 11.394 -6.310 1.138 55 HG22 VAL 8 2HG2 VAL 8 10.341 -5.808 2.461 56 HG23 VAL 8 3HG2 VAL 8 10.004 -7.302 1.582 57 H LYS 9 H LYS 9 8.341 -7.323 4.306 58 HA LYS 9 HA LYS 9 7.357 -10.046 4.176 59 HB2 LYS 9 2HB LYS 9 5.876 -7.408 4.479 60 HB3 LYS 9 1HB LYS 9 5.151 -9.009 4.652 61 HG2 LYS 9 2HG LYS 9 6.599 -9.477 6.587 62 HG3 LYS 9 1HG LYS 9 7.384 -7.904 6.398 63 HD2 LYS 9 2HD LYS 9 5.229 -6.773 6.869 64 HD3 LYS 9 1HD LYS 9 4.436 -8.342 7.045 65 HE2 LYS 9 2HE LYS 9 5.909 -8.838 8.982 66 HE3 LYS 9 1HE LYS 9 6.657 -7.249 8.807 67 HZ1 LYS 9 1HZ LYS 9 3.783 -7.734 9.365 68 HZ2 LYS 9 2HZ LYS 9 4.542 -6.227 9.260 69 HZ3 LYS 9 3HZ LYS 9 4.943 -7.287 10.514 70 H TYR 10 H TYR 10 6.808 -11.032 2.378 71 HA TYR 10 HA TYR 10 6.666 -9.668 -0.175 72 HB2 TYR 10 2HB TYR 10 6.672 -12.577 0.703 73 HB3 TYR 10 1HB TYR 10 6.326 -12.139 -0.964 74 HD1 TYR 10 HD1 TYR 10 8.923 -11.234 1.634 75 HD2 TYR 10 HD2 TYR 10 8.126 -12.352 -2.412 76 HE1 TYR 10 HE1 TYR 10 11.334 -11.200 1.143 77 HE2 TYR 10 HE2 TYR 10 10.526 -12.307 -2.898 78 HH TYR 10 HH TYR 10 12.580 -11.174 -1.963 79 H TYR 11 H TYR 11 4.784 -8.521 -0.131 80 HA TYR 11 HA TYR 11 2.191 -9.686 0.386 81 HB2 TYR 11 2HB TYR 11 3.252 -6.931 -0.223 82 HB3 TYR 11 1HB TYR 11 1.575 -7.241 -0.642 83 HD1 TYR 11 HD1 TYR 11 -0.006 -6.655 0.922 84 HD2 TYR 11 HD2 TYR 11 3.888 -7.768 2.323 85 HE1 TYR 11 HE1 TYR 11 -0.707 -6.176 3.215 86 HE2 TYR 11 HE2 TYR 11 3.176 -7.296 4.633 87 HH TYR 11 HH TYR 11 -0.113 -6.808 5.475 88 H THR 12 H THR 12 0.578 -10.019 -1.106 89 HA THR 12 HA THR 12 1.225 -9.839 -3.995 90 HB THR 12 HB THR 12 -0.759 -11.273 -4.381 91 HG1 THR 12 HG1 THR 12 -1.268 -10.669 -1.767 92 HG21 THR 12 1HG2 THR 12 1.044 -12.459 -2.250 93 HG22 THR 12 2HG2 THR 12 1.342 -12.464 -3.991 94 HG23 THR 12 3HG2 THR 12 -0.014 -13.373 -3.325 95 H LEU 13 H LEU 13 0.078 -8.396 -5.247 96 HA LEU 13 HA LEU 13 -1.510 -6.334 -4.099 97 HB2 LEU 13 2HB LEU 13 -0.064 -6.364 -6.295 98 HB3 LEU 13 1HB LEU 13 -1.492 -7.039 -7.054 99 HG LEU 13 HG LEU 13 -2.778 -4.993 -6.532 100 HD11 LEU 13 1HD1 LEU 13 -1.679 -3.028 -5.520 101 HD12 LEU 13 2HD1 LEU 13 -0.233 -3.996 -5.212 102 HD13 LEU 13 3HD1 LEU 13 -1.756 -4.390 -4.407 103 HD21 LEU 13 1HD2 LEU 13 -0.106 -4.323 -7.816 104 HD22 LEU 13 2HD2 LEU 13 -1.604 -3.401 -7.980 105 HD23 LEU 13 3HD2 LEU 13 -1.501 -5.032 -8.636 106 H GLU 14 H GLU 14 -2.143 -9.505 -5.198 107 HA GLU 14 HA GLU 14 -4.940 -9.379 -5.729 108 HB2 GLU 14 2HB GLU 14 -3.325 -11.137 -6.547 109 HB3 GLU 14 1HB GLU 14 -3.242 -11.775 -4.908 110 HG2 GLU 14 2HG GLU 14 -5.580 -12.426 -4.980 111 HG3 GLU 14 1HG GLU 14 -5.812 -11.598 -6.521 112 H GLU 15 H GLU 15 -2.982 -9.930 -2.816 113 HA GLU 15 HA GLU 15 -5.096 -10.594 -1.029 114 HB2 GLU 15 2HB GLU 15 -2.795 -11.029 -0.387 115 HB3 GLU 15 1HB GLU 15 -2.379 -9.324 -0.519 116 HG2 GLU 15 2HG GLU 15 -3.781 -8.792 1.410 117 HG3 GLU 15 1HG GLU 15 -4.328 -10.468 1.507 118 H ILE 16 H ILE 16 -3.634 -7.514 -1.980 119 HA ILE 16 HA ILE 16 -5.032 -5.875 -0.090 120 HB ILE 16 HB ILE 16 -3.712 -4.951 -2.686 121 HG12 ILE 16 2HG1 ILE 16 -2.362 -5.329 0.039 122 HG13 ILE 16 1HG1 ILE 16 -2.165 -6.420 -1.328 123 HG21 ILE 16 1HG2 ILE 16 -5.068 -3.229 -1.544 124 HG22 ILE 16 2HG2 ILE 16 -3.353 -2.827 -1.463 125 HG23 ILE 16 3HG2 ILE 16 -4.169 -3.498 -0.048 126 HD11 ILE 16 1HD1 ILE 16 -1.115 -4.631 -2.614 127 HD12 ILE 16 2HD1 ILE 16 -0.266 -4.933 -1.100 128 HD13 ILE 16 3HD1 ILE 16 -1.314 -3.523 -1.252 129 H GLN 17 H GLN 17 -5.930 -7.294 -3.066 130 HA GLN 17 HA GLN 17 -7.778 -5.511 -4.185 131 HB2 GLN 17 2HB GLN 17 -6.854 -7.509 -5.319 132 HB3 GLN 17 1HB GLN 17 -7.780 -8.555 -4.250 133 HG2 GLN 17 2HG GLN 17 -9.882 -7.604 -5.206 134 HG3 GLN 17 1HG GLN 17 -8.911 -6.638 -6.317 135 HE21 GLN 17 1HE2 GLN 17 -7.758 -7.708 -7.994 136 HE22 GLN 17 2HE2 GLN 17 -8.176 -9.313 -8.485 137 H LYS 18 H LYS 18 -8.116 -7.547 -1.332 138 HA LYS 18 HA LYS 18 -11.015 -7.453 -1.214 139 HB2 LYS 18 2HB LYS 18 -10.833 -8.607 0.923 140 HB3 LYS 18 1HB LYS 18 -9.726 -9.362 -0.213 141 HG2 LYS 18 2HG LYS 18 -7.821 -8.236 0.844 142 HG3 LYS 18 1HG LYS 18 -8.903 -7.355 1.916 143 HD2 LYS 18 2HD LYS 18 -7.876 -9.202 3.126 144 HD3 LYS 18 1HD LYS 18 -9.608 -9.495 2.956 145 HE2 LYS 18 2HE LYS 18 -8.298 -11.552 2.578 146 HE3 LYS 18 1HE LYS 18 -9.162 -11.083 1.114 147 HZ1 LYS 18 1HZ LYS 18 -7.108 -10.110 0.275 148 HZ2 LYS 18 2HZ LYS 18 -6.914 -11.754 0.622 149 HZ3 LYS 18 3HZ LYS 18 -6.288 -10.592 1.678 150 H HIS 19 H HIS 19 -9.593 -4.841 -1.354 151 HA HIS 19 HA HIS 19 -9.605 -3.543 1.177 152 HB2 HIS 19 2HB HIS 19 -9.347 -1.440 -0.191 153 HB3 HIS 19 1HB HIS 19 -8.154 -2.683 -0.523 154 HD1 HIS 19 HD1 HIS 19 -8.076 -3.639 -2.924 155 HD2 HIS 19 HD2 HIS 19 -11.122 -0.877 -2.358 156 HE1 HIS 19 HE1 HIS 19 -8.909 -3.051 -5.216 157 HE2 HIS 19 HE2 HIS 19 -10.603 -1.245 -4.844 158 H LYS 20 H LYS 20 -11.653 -4.216 1.964 159 HA LYS 20 HA LYS 20 -13.990 -2.643 1.026 160 HB2 LYS 20 2HB LYS 20 -14.130 -5.330 2.474 161 HB3 LYS 20 1HB LYS 20 -15.442 -4.475 1.664 162 HG2 LYS 20 2HG LYS 20 -13.071 -5.809 0.300 163 HG3 LYS 20 1HG LYS 20 -14.706 -6.466 0.417 164 HD2 LYS 20 2HD LYS 20 -15.579 -4.634 -0.968 165 HD3 LYS 20 1HD LYS 20 -13.987 -3.870 -1.015 166 HE2 LYS 20 2HE LYS 20 -13.097 -5.838 -2.234 167 HE3 LYS 20 1HE LYS 20 -14.698 -6.578 -2.197 168 HZ1 LYS 20 1HZ LYS 20 -14.037 -4.006 -3.517 169 HZ2 LYS 20 2HZ LYS 20 -15.540 -4.781 -3.533 170 HZ3 LYS 20 3HZ LYS 20 -14.212 -5.491 -4.309 171 H ASP 21 H ASP 21 -11.724 -2.423 3.177 172 HA ASP 21 HA ASP 21 -13.320 -1.758 5.539 173 HB2 ASP 21 2HB ASP 21 -11.115 -3.884 5.602 174 HB3 ASP 21 1HB ASP 21 -11.927 -3.226 7.018 175 H SER 22 H SER 22 -12.091 -0.514 7.069 176 HA SER 22 HA SER 22 -10.101 1.226 6.132 177 HB2 SER 22 2HB SER 22 -10.680 0.503 9.045 178 HB3 SER 22 1HB SER 22 -9.914 1.983 8.463 179 HG SER 22 HG SER 22 -11.878 2.712 8.503 180 H LYS 23 H LYS 23 -9.906 -1.822 7.986 181 HA LYS 23 HA LYS 23 -7.075 -1.666 8.414 182 HB2 LYS 23 2HB LYS 23 -7.199 -3.905 9.352 183 HB3 LYS 23 1HB LYS 23 -8.445 -2.880 10.023 184 HG2 LYS 23 2HG LYS 23 -9.212 -4.672 7.736 185 HG3 LYS 23 1HG LYS 23 -8.888 -5.430 9.295 186 HD2 LYS 23 2HD LYS 23 -10.573 -3.800 10.309 187 HD3 LYS 23 1HD LYS 23 -10.995 -3.329 8.660 188 HE2 LYS 23 2HE LYS 23 -12.585 -4.988 9.518 189 HE3 LYS 23 1HE LYS 23 -11.664 -5.671 8.181 190 HZ1 LYS 23 1HZ LYS 23 -11.131 -6.154 11.068 191 HZ2 LYS 23 2HZ LYS 23 -10.272 -6.836 9.779 192 HZ3 LYS 23 3HZ LYS 23 -11.899 -7.231 10.014 193 H SER 24 H SER 24 -9.066 -2.969 5.839 194 HA SER 24 HA SER 24 -6.735 -4.277 4.588 195 HB2 SER 24 2HB SER 24 -8.972 -5.432 4.537 196 HB3 SER 24 1HB SER 24 -9.606 -4.103 3.565 197 HG SER 24 HG SER 24 -7.577 -5.964 2.885 198 H THR 25 H THR 25 -5.659 -2.146 4.493 199 HA THR 25 HA THR 25 -6.146 -0.877 1.896 200 HB THR 25 HB THR 25 -5.758 0.850 4.388 201 HG1 THR 25 HG1 THR 25 -8.033 -0.234 3.476 202 HG21 THR 25 1HG2 THR 25 -4.864 1.778 2.242 203 HG22 THR 25 2HG2 THR 25 -6.197 2.732 2.897 204 HG23 THR 25 3HG2 THR 25 -6.478 1.636 1.542 205 H TRP 26 H TRP 26 -4.285 -1.149 0.894 206 HA TRP 26 HA TRP 26 -1.738 -0.281 2.052 207 HB2 TRP 26 2HB TRP 26 -2.054 -3.044 0.760 208 HB3 TRP 26 1HB TRP 26 -0.525 -2.317 1.233 209 HD1 TRP 26 HD TRP 26 -0.078 -2.104 3.950 210 HE1 TRP 26 HE1 TRP 26 -0.958 -3.518 5.907 211 HE3 TRP 26 HE3 TRP 26 -3.934 -4.442 1.571 212 HZ2 TRP 26 HZ2 TRP 26 -3.035 -5.392 6.372 213 HZ3 TRP 26 HZ3 TRP 26 -5.327 -6.041 2.827 214 HH2 TRP 26 HH TRP 26 -4.876 -6.511 5.188 215 H VAL 27 H VAL 27 -0.217 0.338 0.381 216 HA VAL 27 HA VAL 27 -1.263 0.444 -2.401 217 HB VAL 27 HB VAL 27 -0.460 2.829 -2.602 218 HG11 VAL 27 1HG1 VAL 27 -2.859 2.411 -2.336 219 HG12 VAL 27 2HG1 VAL 27 -2.404 3.893 -1.493 220 HG13 VAL 27 3HG1 VAL 27 -2.692 2.411 -0.577 221 HG21 VAL 27 1HG2 VAL 27 -0.082 4.155 -0.543 222 HG22 VAL 27 2HG2 VAL 27 1.106 2.863 -0.706 223 HG23 VAL 27 3HG2 VAL 27 -0.233 2.691 0.433 224 H ILE 28 H ILE 28 0.419 0.834 -4.030 225 HA ILE 28 HA ILE 28 3.136 0.047 -3.145 226 HB ILE 28 HB ILE 28 3.279 -1.745 -4.773 227 HG12 ILE 28 2HG1 ILE 28 0.834 -2.346 -5.946 228 HG13 ILE 28 1HG1 ILE 28 0.750 -0.591 -5.959 229 HG21 ILE 28 1HG2 ILE 28 1.499 -3.296 -3.938 230 HG22 ILE 28 2HG2 ILE 28 0.681 -1.920 -3.209 231 HG23 ILE 28 3HG2 ILE 28 2.291 -2.383 -2.653 232 HD11 ILE 28 1HD1 ILE 28 2.792 -0.493 -7.269 233 HD12 ILE 28 2HD1 ILE 28 1.580 -1.504 -8.055 234 HD13 ILE 28 3HD1 ILE 28 2.937 -2.252 -7.211 235 H LEU 29 H LEU 29 4.762 1.144 -4.190 236 HA LEU 29 HA LEU 29 3.958 3.116 -6.221 237 HB2 LEU 29 2HB LEU 29 5.871 4.335 -5.742 238 HB3 LEU 29 1HB LEU 29 5.495 3.630 -4.185 239 HG LEU 29 HG LEU 29 7.680 2.664 -6.077 240 HD11 LEU 29 1HD1 LEU 29 8.218 4.839 -5.130 241 HD12 LEU 29 2HD1 LEU 29 9.259 3.587 -4.459 242 HD13 LEU 29 3HD1 LEU 29 7.921 4.227 -3.499 243 HD21 LEU 29 1HD2 LEU 29 6.829 0.808 -4.733 244 HD22 LEU 29 2HD2 LEU 29 7.053 1.745 -3.257 245 HD23 LEU 29 3HD2 LEU 29 8.453 1.253 -4.211 246 H HIS 30 H HIS 30 5.552 0.084 -6.033 247 HA HIS 30 HA HIS 30 5.688 -0.365 -8.789 248 HB2 HIS 30 2HB HIS 30 7.582 1.263 -8.764 249 HB3 HIS 30 1HB HIS 30 8.399 0.311 -7.532 250 HD1 HIS 30 HD1 HIS 30 10.363 -0.729 -8.651 251 HD2 HIS 30 HD2 HIS 30 6.996 -0.838 -11.086 252 HE1 HIS 30 HE1 HIS 30 11.048 -1.972 -10.708 253 HE2 HIS 30 HE2 HIS 30 9.085 -1.783 -12.260 254 H HIS 31 H HIS 31 8.009 -1.132 -6.204 255 HA HIS 31 HA HIS 31 7.229 -3.994 -6.354 256 HB2 HIS 31 2HB HIS 31 9.331 -3.544 -7.626 257 HB3 HIS 31 1HB HIS 31 10.054 -2.830 -6.190 258 HD1 HIS 31 HD1 HIS 31 11.707 -4.409 -5.239 259 HD2 HIS 31 HD2 HIS 31 8.418 -6.416 -6.788 260 HE1 HIS 31 HE1 HIS 31 12.096 -6.830 -4.746 261 HE2 HIS 31 HE2 HIS 31 9.959 -7.955 -5.419 262 H LYS 32 H LYS 32 7.438 -1.303 -4.353 263 HA LYS 32 HA LYS 32 7.689 -2.998 -1.926 264 HB2 LYS 32 2HB LYS 32 8.268 -0.019 -2.220 265 HB3 LYS 32 1HB LYS 32 8.262 -0.889 -0.686 266 HG2 LYS 32 2HG LYS 32 10.153 -1.368 -3.020 267 HG3 LYS 32 1HG LYS 32 10.548 -0.587 -1.483 268 HD2 LYS 32 2HD LYS 32 10.097 -2.708 -0.278 269 HD3 LYS 32 1HD LYS 32 9.652 -3.488 -1.797 270 HE2 LYS 32 2HE LYS 32 11.901 -4.156 -1.198 271 HE3 LYS 32 1HE LYS 32 11.977 -3.119 -2.621 272 HZ1 LYS 32 1HZ LYS 32 12.593 -1.269 -1.180 273 HZ2 LYS 32 2HZ LYS 32 13.695 -2.545 -1.045 274 HZ3 LYS 32 3HZ LYS 32 12.547 -2.283 0.173 275 H VAL 33 H VAL 33 6.050 -3.062 -0.568 276 HA VAL 33 HA VAL 33 3.568 -1.582 -1.170 277 HB VAL 33 HB VAL 33 3.345 -4.059 -1.135 278 HG11 VAL 33 1HG1 VAL 33 3.663 -5.355 0.947 279 HG12 VAL 33 2HG1 VAL 33 4.274 -3.912 1.753 280 HG13 VAL 33 3HG1 VAL 33 5.168 -4.613 0.405 281 HG21 VAL 33 1HG2 VAL 33 1.391 -2.711 -0.427 282 HG22 VAL 33 2HG2 VAL 33 1.940 -2.776 1.249 283 HG23 VAL 33 3HG2 VAL 33 1.432 -4.256 0.430 284 H TYR 34 H TYR 34 2.568 -0.372 0.412 285 HA TYR 34 HA TYR 34 4.057 0.298 2.876 286 HB2 TYR 34 2HB TYR 34 2.383 2.185 1.144 287 HB3 TYR 34 1HB TYR 34 3.276 2.623 2.602 288 HD1 TYR 34 HD1 TYR 34 5.782 2.632 2.593 289 HD2 TYR 34 HD2 TYR 34 3.541 1.940 -0.996 290 HE1 TYR 34 HE1 TYR 34 7.778 3.087 1.248 291 HE2 TYR 34 HE2 TYR 34 5.540 2.410 -2.330 292 HH TYR 34 HH TYR 34 8.634 2.502 -1.004 293 H ASP 35 H ASP 35 2.804 0.772 4.684 294 HA ASP 35 HA ASP 35 0.286 -0.662 4.804 295 HB2 ASP 35 2HB ASP 35 2.167 -1.021 6.471 296 HB3 ASP 35 1HB ASP 35 1.899 0.621 7.055 297 H LEU 36 H LEU 36 -1.135 0.679 3.825 298 HA LEU 36 HA LEU 36 -1.204 3.531 4.369 299 HB2 LEU 36 2HB LEU 36 -1.558 2.177 2.074 300 HB3 LEU 36 1HB LEU 36 -3.226 2.165 2.596 301 HG LEU 36 HG LEU 36 -2.715 3.986 0.970 302 HD11 LEU 36 1HD1 LEU 36 -4.570 4.304 2.519 303 HD12 LEU 36 2HD1 LEU 36 -3.808 5.826 2.072 304 HD13 LEU 36 3HD1 LEU 36 -3.486 5.112 3.655 305 HD21 LEU 36 1HD2 LEU 36 -0.945 5.168 3.123 306 HD22 LEU 36 2HD2 LEU 36 -1.346 5.906 1.572 307 HD23 LEU 36 3HD2 LEU 36 -0.390 4.431 1.622 308 H THR 37 H THR 37 -2.695 0.687 5.530 309 HA THR 37 HA THR 37 -5.135 1.741 6.484 310 HB THR 37 HB THR 37 -5.054 -0.618 6.354 311 HG1 THR 37 HG1 THR 37 -6.204 0.045 8.155 312 HG21 THR 37 1HG2 THR 37 -3.506 -2.071 7.589 313 HG22 THR 37 2HG2 THR 37 -2.661 -0.654 8.217 314 HG23 THR 37 3HG2 THR 37 -2.626 -1.006 6.487 315 H LYS 38 H LYS 38 -1.857 1.684 7.932 316 HA LYS 38 HA LYS 38 -2.692 2.986 10.377 317 HB2 LYS 38 2HB LYS 38 -0.580 1.646 10.234 318 HB3 LYS 38 1HB LYS 38 0.090 2.843 9.145 319 HG2 LYS 38 2HG LYS 38 1.085 3.508 11.116 320 HG3 LYS 38 1HG LYS 38 -0.362 4.505 11.168 321 HD2 LYS 38 2HD LYS 38 0.144 1.922 12.681 322 HD3 LYS 38 1HD LYS 38 0.092 3.545 13.354 323 HE2 LYS 38 2HE LYS 38 -2.034 2.904 13.939 324 HE3 LYS 38 1HE LYS 38 -2.412 3.424 12.293 325 HZ1 LYS 38 1HZ LYS 38 -3.349 1.249 12.827 326 HZ2 LYS 38 2HZ LYS 38 -1.802 0.629 13.108 327 HZ3 LYS 38 3HZ LYS 38 -2.237 1.138 11.557 328 H PHE 39 H PHE 39 -1.568 3.958 7.244 329 HA PHE 39 HA PHE 39 -0.758 6.618 7.743 330 HB2 PHE 39 2HB PHE 39 -0.138 5.062 5.808 331 HB3 PHE 39 1HB PHE 39 -1.694 5.437 5.095 332 HD1 PHE 39 HD1 PHE 39 1.686 6.721 5.857 333 HD2 PHE 39 HD2 PHE 39 -2.072 7.620 3.998 334 HE1 PHE 39 HE1 PHE 39 2.723 8.586 4.643 335 HE2 PHE 39 HE2 PHE 39 -1.015 9.490 2.798 336 HZ PHE 39 HZ PHE 39 1.376 9.966 3.113 337 H LEU 40 H LEU 40 -3.882 5.227 6.739 338 HA LEU 40 HA LEU 40 -5.147 7.706 6.172 339 HB2 LEU 40 2HB LEU 40 -7.236 6.474 6.078 340 HB3 LEU 40 1HB LEU 40 -5.967 5.640 5.206 341 HG LEU 40 HG LEU 40 -5.815 4.222 7.509 342 HD11 LEU 40 1HD1 LEU 40 -7.508 5.472 8.718 343 HD12 LEU 40 2HD1 LEU 40 -8.031 3.810 8.471 344 HD13 LEU 40 3HD1 LEU 40 -8.708 5.103 7.478 345 HD21 LEU 40 1HD2 LEU 40 -7.267 2.512 6.524 346 HD22 LEU 40 2HD2 LEU 40 -6.217 3.235 5.307 347 HD23 LEU 40 3HD2 LEU 40 -7.919 3.699 5.388 348 H GLU 41 H GLU 41 -4.933 5.691 9.102 349 HA GLU 41 HA GLU 41 -6.694 7.329 10.675 350 HB2 GLU 41 2HB GLU 41 -4.707 5.161 11.448 351 HB3 GLU 41 1HB GLU 41 -5.666 6.033 12.643 352 HG2 GLU 41 2HG GLU 41 -7.737 5.229 11.541 353 HG3 GLU 41 1HG GLU 41 -6.756 4.290 10.409 354 H GLU 42 H GLU 42 -3.414 7.593 9.704 355 HA GLU 42 HA GLU 42 -2.236 8.667 12.031 356 HB2 GLU 42 2HB GLU 42 -1.021 7.609 10.088 357 HB3 GLU 42 1HB GLU 42 -1.321 9.070 9.158 358 HG2 GLU 42 2HG GLU 42 0.959 9.027 10.085 359 HG3 GLU 42 1HG GLU 42 0.024 10.389 10.716 360 H TRP 43 H TRP 43 -3.474 10.353 9.080 361 HA TRP 43 HA TRP 43 -3.712 12.808 10.740 362 HB2 TRP 43 2HB TRP 43 -3.048 12.591 7.795 363 HB3 TRP 43 1HB TRP 43 -3.703 14.069 8.474 364 HD1 TRP 43 HD TRP 43 -0.857 11.890 10.014 365 HE1 TRP 43 HE1 TRP 43 1.224 13.380 10.198 366 HE3 TRP 43 HE3 TRP 43 -2.656 16.061 7.703 367 HZ2 TRP 43 HZ2 TRP 43 2.006 15.987 9.467 368 HZ3 TRP 43 HZ3 TRP 43 -1.181 18.017 7.469 369 HH2 TRP 43 HH TRP 43 1.110 17.978 8.329 370 HA PRO 44 HA PRO 44 -7.575 13.554 8.233 371 HB2 PRO 44 2HB PRO 44 -8.469 12.121 6.101 372 HB3 PRO 44 1HB PRO 44 -7.113 13.258 5.951 373 HG2 PRO 44 2HG PRO 44 -7.031 10.262 6.227 374 HG3 PRO 44 1HG PRO 44 -6.103 11.314 5.131 375 HD2 PRO 44 2HD PRO 44 -5.081 10.336 7.496 376 HD3 PRO 44 1HD PRO 44 -4.545 11.857 6.755 377 H GLY 45 H GLY 45 -7.325 10.043 8.603 378 HA2 GLY 45 2HA GLY 45 -8.610 8.531 9.753 379 HA3 GLY 45 1HA GLY 45 -9.696 9.829 10.228 380 H GLY 46 H GLY 46 -9.580 10.212 6.971 381 HA2 GLY 46 2HA GLY 46 -12.225 8.960 6.683 382 HA3 GLY 46 1HA GLY 46 -11.537 10.228 5.674 383 H GLU 47 H GLU 47 -11.202 6.854 6.555 384 HA GLU 47 HA GLU 47 -9.318 5.982 4.734 385 HB2 GLU 47 2HB GLU 47 -10.114 3.726 5.104 386 HB3 GLU 47 1HB GLU 47 -10.204 4.596 6.627 387 HG2 GLU 47 2HG GLU 47 -12.582 4.057 4.799 388 HG3 GLU 47 1HG GLU 47 -12.138 3.075 6.195 389 H GLU 48 H GLU 48 -12.746 6.621 4.211 390 HA GLU 48 HA GLU 48 -13.382 5.045 2.059 391 HB2 GLU 48 2HB GLU 48 -15.140 6.757 1.569 392 HB3 GLU 48 1HB GLU 48 -15.054 6.287 3.264 393 HG2 GLU 48 2HG GLU 48 -13.793 8.366 3.772 394 HG3 GLU 48 1HG GLU 48 -13.921 8.847 2.079 395 H VAL 49 H VAL 49 -11.476 8.031 2.019 396 HA VAL 49 HA VAL 49 -11.779 8.595 -0.764 397 HB VAL 49 HB VAL 49 -11.181 10.293 1.012 398 HG11 VAL 49 1HG1 VAL 49 -9.448 9.006 2.221 399 HG12 VAL 49 2HG1 VAL 49 -8.859 10.593 1.732 400 HG13 VAL 49 3HG1 VAL 49 -8.367 9.154 0.834 401 HG21 VAL 49 1HG2 VAL 49 -10.950 10.861 -1.359 402 HG22 VAL 49 2HG2 VAL 49 -9.305 10.214 -1.372 403 HG23 VAL 49 3HG2 VAL 49 -9.684 11.639 -0.401 404 H LEU 50 H LEU 50 -9.527 6.599 1.046 405 HA LEU 50 HA LEU 50 -7.749 6.274 -1.317 406 HB2 LEU 50 2HB LEU 50 -6.034 5.640 0.549 407 HB3 LEU 50 1HB LEU 50 -6.436 7.317 0.273 408 HG LEU 50 HG LEU 50 -8.137 7.043 2.238 409 HD11 LEU 50 1HD1 LEU 50 -8.062 4.610 2.376 410 HD12 LEU 50 2HD1 LEU 50 -7.607 5.361 3.899 411 HD13 LEU 50 3HD1 LEU 50 -6.362 4.676 2.853 412 HD21 LEU 50 1HD2 LEU 50 -5.156 7.048 2.828 413 HD22 LEU 50 2HD2 LEU 50 -6.430 7.604 3.913 414 HD23 LEU 50 3HD2 LEU 50 -6.137 8.452 2.397 415 H ARG 51 H ARG 51 -9.769 4.603 0.886 416 HA ARG 51 HA ARG 51 -8.554 1.990 0.662 417 HB2 ARG 51 2HB ARG 51 -9.603 2.612 2.779 418 HB3 ARG 51 1HB ARG 51 -11.126 2.958 1.979 419 HG2 ARG 51 2HG ARG 51 -10.150 0.163 1.647 420 HG3 ARG 51 1HG ARG 51 -10.540 0.618 3.302 421 HD2 ARG 51 2HD ARG 51 -12.439 0.871 0.945 422 HD3 ARG 51 1HD ARG 51 -12.429 -0.467 2.103 423 HE ARG 51 HE ARG 51 -12.652 2.045 3.430 424 HH11 ARG 51 1HH1 ARG 51 -14.598 -0.256 1.601 425 HH12 ARG 51 2HH1 ARG 51 -16.084 0.242 2.345 426 HH21 ARG 51 1HH2 ARG 51 -14.626 2.672 4.387 427 HH22 ARG 51 2HH2 ARG 51 -16.093 1.886 3.909 428 H GLU 52 H GLU 52 -11.200 3.795 -0.798 429 HA GLU 52 HA GLU 52 -12.537 1.798 -2.213 430 HB2 GLU 52 2HB GLU 52 -13.232 3.601 -3.768 431 HB3 GLU 52 1HB GLU 52 -13.362 4.100 -2.087 432 HG2 GLU 52 2HG GLU 52 -11.345 5.441 -2.260 433 HG3 GLU 52 1HG GLU 52 -11.047 4.853 -3.897 434 H GLN 53 H GLN 53 -9.437 3.295 -2.802 435 HA GLN 53 HA GLN 53 -8.994 1.685 -5.229 436 HB2 GLN 53 2HB GLN 53 -7.775 3.600 -6.223 437 HB3 GLN 53 1HB GLN 53 -9.475 3.969 -5.955 438 HG2 GLN 53 2HG GLN 53 -8.976 5.380 -4.082 439 HG3 GLN 53 1HG GLN 53 -7.304 4.823 -4.014 440 HE21 GLN 53 1HE2 GLN 53 -5.867 5.481 -5.666 441 HE22 GLN 53 2HE2 GLN 53 -6.128 6.934 -6.563 442 H ALA 54 H ALA 54 -8.283 1.063 -2.525 443 HA ALA 54 HA ALA 54 -5.434 1.411 -2.226 444 HB1 ALA 54 1HB ALA 54 -5.631 -0.252 -0.415 445 HB2 ALA 54 2HB ALA 54 -7.302 -0.574 -0.887 446 HB3 ALA 54 3HB ALA 54 -6.855 1.011 -0.264 447 H GLY 55 H GLY 55 -3.810 -0.011 -2.841 448 HA2 GLY 55 2HA GLY 55 -2.786 -1.799 -3.902 449 HA3 GLY 55 1HA GLY 55 -4.355 -2.561 -4.121 450 H GLY 56 H GLY 56 -2.436 0.197 -5.231 451 HA2 GLY 56 2HA GLY 56 -2.842 -0.442 -8.023 452 HA3 GLY 56 1HA GLY 56 -3.664 1.026 -7.499 453 H ASP 57 H ASP 57 -2.260 2.644 -6.299 454 HA ASP 57 HA ASP 57 0.536 2.627 -7.212 455 HB2 ASP 57 2HB ASP 57 -0.809 3.778 -8.995 456 HB3 ASP 57 1HB ASP 57 -1.365 4.953 -7.799 457 H ALA 58 H ALA 58 1.899 4.049 -6.159 458 HA ALA 58 HA ALA 58 1.081 5.716 -3.928 459 HB1 ALA 58 1HB ALA 58 2.530 4.614 -2.284 460 HB2 ALA 58 2HB ALA 58 2.999 3.395 -3.475 461 HB3 ALA 58 3HB ALA 58 1.340 3.462 -2.893 462 H THR 59 H THR 59 2.633 5.525 -6.656 463 HA THR 59 HA THR 59 5.252 6.589 -6.046 464 HB THR 59 HB THR 59 3.748 6.635 -8.706 465 HG1 THR 59 HG1 THR 59 3.822 4.534 -8.316 466 HG21 THR 59 1HG2 THR 59 5.795 8.036 -8.679 467 HG22 THR 59 2HG2 THR 59 5.992 6.633 -9.731 468 HG23 THR 59 3HG2 THR 59 6.738 6.645 -8.131 469 H GLU 60 H GLU 60 2.197 7.687 -7.303 470 HA GLU 60 HA GLU 60 2.804 10.528 -6.753 471 HB2 GLU 60 2HB GLU 60 0.805 9.331 -8.734 472 HB3 GLU 60 1HB GLU 60 1.217 11.041 -8.568 473 HG2 GLU 60 2HG GLU 60 3.504 10.584 -9.356 474 HG3 GLU 60 1HG GLU 60 3.149 8.860 -9.450 475 H ASN 61 H ASN 61 0.574 7.811 -6.368 476 HA ASN 61 HA ASN 61 -1.767 9.403 -5.916 477 HB2 ASN 61 2HB ASN 61 -1.823 7.148 -6.977 478 HB3 ASN 61 1HB ASN 61 -1.427 6.420 -5.425 479 HD21 ASN 61 1HD2 ASN 61 -3.107 5.999 -4.012 480 HD22 ASN 61 2HD2 ASN 61 -4.739 6.508 -4.274 481 H PHE 62 H PHE 62 0.585 7.998 -3.796 482 HA PHE 62 HA PHE 62 -0.839 7.810 -1.389 483 HB2 PHE 62 2HB PHE 62 1.296 7.617 -0.301 484 HB3 PHE 62 1HB PHE 62 1.457 6.838 -1.870 485 HD1 PHE 62 HD1 PHE 62 3.166 8.852 0.358 486 HD2 PHE 62 HD2 PHE 62 2.218 8.699 -3.807 487 HE1 PHE 62 HE1 PHE 62 5.098 10.248 -0.156 488 HE2 PHE 62 HE2 PHE 62 4.160 10.105 -4.292 489 HZ PHE 62 HZ PHE 62 5.600 10.886 -2.466 490 H GLU 63 H GLU 63 0.281 10.640 -3.068 491 HA GLU 63 HA GLU 63 -0.038 12.427 -0.765 492 HB2 GLU 63 2HB GLU 63 0.795 12.913 -3.651 493 HB3 GLU 63 1HB GLU 63 0.548 14.220 -2.492 494 HG2 GLU 63 2HG GLU 63 2.309 13.265 -1.053 495 HG3 GLU 63 1HG GLU 63 2.576 11.982 -2.239 496 H ASP 64 H ASP 64 -1.568 11.626 -3.866 497 HA ASP 64 HA ASP 64 -3.519 13.603 -4.086 498 HB2 ASP 64 2HB ASP 64 -3.632 10.667 -4.941 499 HB3 ASP 64 1HB ASP 64 -4.854 11.850 -5.404 500 H VAL 65 H VAL 65 -3.875 10.373 -2.715 501 HA VAL 65 HA VAL 65 -6.406 11.034 -1.396 502 HB VAL 65 HB VAL 65 -6.557 8.613 -0.945 503 HG11 VAL 65 1HG1 VAL 65 -7.404 9.435 -3.091 504 HG12 VAL 65 2HG1 VAL 65 -6.740 7.810 -3.279 505 HG13 VAL 65 3HG1 VAL 65 -5.815 9.211 -3.831 506 HG21 VAL 65 1HG2 VAL 65 -4.156 8.103 -0.590 507 HG22 VAL 65 2HG2 VAL 65 -3.840 8.355 -2.307 508 HG23 VAL 65 3HG2 VAL 65 -4.863 7.015 -1.787 509 H GLY 66 H GLY 66 -3.086 10.954 -0.627 510 HA2 GLY 66 2HA GLY 66 -3.421 10.323 2.230 511 HA3 GLY 66 1HA GLY 66 -1.907 10.532 1.365 512 H PHE 67 H PHE 67 -0.920 12.076 2.631 513 HA PHE 67 HA PHE 67 -2.408 14.369 3.669 514 HB2 PHE 67 2HB PHE 67 0.577 13.952 4.084 515 HB3 PHE 67 1HB PHE 67 -0.567 14.773 5.131 516 HD1 PHE 67 HD1 PHE 67 1.564 12.731 5.895 517 HD2 PHE 67 HD2 PHE 67 -2.618 12.302 5.050 518 HE1 PHE 67 HE1 PHE 67 1.470 10.732 7.304 519 HE2 PHE 67 HE2 PHE 67 -2.680 10.302 6.468 520 HZ PHE 67 HZ PHE 67 -0.642 9.523 7.592 521 H SER 68 H SER 68 -0.671 16.376 3.765 522 HA SER 68 HA SER 68 -0.248 17.484 1.175 523 HB2 SER 68 2HB SER 68 0.981 19.245 2.635 524 HB3 SER 68 1HB SER 68 -0.718 18.952 3.016 525 HG SER 68 HG SER 68 1.580 18.100 4.424 526 H THR 69 H THR 69 2.538 18.597 1.927 527 HA THR 69 HA THR 69 4.233 16.798 0.580 528 HB THR 69 HB THR 69 6.134 18.188 1.572 529 HG1 THR 69 HG1 THR 69 5.642 19.191 3.361 530 HG21 THR 69 1HG2 THR 69 5.543 20.275 0.393 531 HG22 THR 69 2HG2 THR 69 3.850 19.783 0.342 532 HG23 THR 69 3HG2 THR 69 5.062 18.866 -0.554 533 H ASP 70 H ASP 70 3.232 16.890 3.899 534 HA ASP 70 HA ASP 70 5.220 15.402 5.193 535 HB2 ASP 70 2HB ASP 70 2.222 15.509 5.767 536 HB3 ASP 70 1HB ASP 70 3.438 14.872 6.879 537 H ALA 71 H ALA 71 2.605 14.387 3.079 538 HA ALA 71 HA ALA 71 2.379 11.662 3.646 539 HB1 ALA 71 1HB ALA 71 1.535 11.405 1.327 540 HB2 ALA 71 2HB ALA 71 2.155 13.006 0.919 541 HB3 ALA 71 3HB ALA 71 0.849 12.843 2.092 542 H ARG 72 H ARG 72 4.796 13.415 1.763 543 HA ARG 72 HA ARG 72 6.047 11.199 0.542 544 HB2 ARG 72 2HB ARG 72 7.229 13.927 1.189 545 HB3 ARG 72 1HB ARG 72 7.968 12.730 0.121 546 HG2 ARG 72 2HG ARG 72 5.962 12.879 -1.360 547 HG3 ARG 72 1HG ARG 72 5.328 14.165 -0.327 548 HD2 ARG 72 2HD ARG 72 7.348 15.538 -0.845 549 HD3 ARG 72 1HD ARG 72 7.924 14.251 -1.917 550 HE ARG 72 HE ARG 72 5.284 15.061 -2.606 551 HH11 ARG 72 1HH1 ARG 72 8.618 16.133 -2.993 552 HH12 ARG 72 2HH1 ARG 72 8.260 17.038 -4.424 553 HH21 ARG 72 1HH2 ARG 72 4.865 16.241 -4.448 554 HH22 ARG 72 2HH2 ARG 72 6.142 17.102 -5.251 555 H GLU 73 H GLU 73 6.456 12.711 3.688 556 HA GLU 73 HA GLU 73 9.021 11.460 4.235 557 HB2 GLU 73 2HB GLU 73 7.218 13.118 6.052 558 HB3 GLU 73 1HB GLU 73 8.900 12.681 6.374 559 HG2 GLU 73 2HG GLU 73 9.619 13.981 4.404 560 HG3 GLU 73 1HG GLU 73 7.942 14.416 4.071 561 H LEU 74 H LEU 74 5.687 11.220 5.531 562 HA LEU 74 HA LEU 74 6.214 9.206 7.434 563 HB2 LEU 74 2HB LEU 74 3.662 10.198 6.148 564 HB3 LEU 74 1HB LEU 74 3.615 8.768 7.156 565 HG LEU 74 HG LEU 74 2.916 10.661 8.476 566 HD11 LEU 74 1HD1 LEU 74 4.447 10.571 10.368 567 HD12 LEU 74 2HD1 LEU 74 5.693 9.835 9.356 568 HD13 LEU 74 3HD1 LEU 74 4.183 8.973 9.675 569 HD21 LEU 74 1HD2 LEU 74 3.940 12.493 7.227 570 HD22 LEU 74 2HD2 LEU 74 5.541 12.033 7.815 571 HD23 LEU 74 3HD2 LEU 74 4.316 12.624 8.944 572 H SER 75 H SER 75 5.137 8.993 4.026 573 HA SER 75 HA SER 75 4.372 6.299 3.959 574 HB2 SER 75 2HB SER 75 4.654 6.440 1.502 575 HB3 SER 75 1HB SER 75 3.854 7.881 2.138 576 HG SER 75 HG SER 75 5.506 9.059 1.554 577 H LYS 76 H LYS 76 7.578 7.749 3.614 578 HA LYS 76 HA LYS 76 9.100 5.636 2.618 579 HB2 LYS 76 2HB LYS 76 10.029 7.585 4.768 580 HB3 LYS 76 1HB LYS 76 11.056 6.721 3.623 581 HG2 LYS 76 2HG LYS 76 9.110 8.960 3.030 582 HG3 LYS 76 1HG LYS 76 10.869 9.067 3.031 583 HD2 LYS 76 2HD LYS 76 9.228 7.375 1.090 584 HD3 LYS 76 1HD LYS 76 9.858 8.986 0.740 585 HE2 LYS 76 2HE LYS 76 12.167 8.131 1.068 586 HE3 LYS 76 1HE LYS 76 11.511 6.515 1.350 587 HZ1 LYS 76 1HZ LYS 76 10.548 6.595 -0.878 588 HZ2 LYS 76 2HZ LYS 76 12.230 6.737 -0.914 589 HZ3 LYS 76 3HZ LYS 76 11.260 8.106 -1.140 590 H LYS 77 H LYS 77 8.039 6.332 5.897 591 HA LYS 77 HA LYS 77 9.671 4.340 7.191 592 HB2 LYS 77 2HB LYS 77 7.308 5.861 8.371 593 HB3 LYS 77 1HB LYS 77 8.631 5.090 9.246 594 HG2 LYS 77 2HG LYS 77 10.201 6.768 8.217 595 HG3 LYS 77 1HG LYS 77 8.802 7.576 7.503 596 HD2 LYS 77 2HD LYS 77 9.410 8.746 9.547 597 HD3 LYS 77 1HD LYS 77 7.874 7.914 9.816 598 HE2 LYS 77 2HE LYS 77 9.145 6.057 10.943 599 HE3 LYS 77 1HE LYS 77 10.623 7.001 10.753 600 HZ1 LYS 77 1HZ LYS 77 9.702 7.272 12.941 601 HZ2 LYS 77 2HZ LYS 77 8.229 7.789 12.301 602 HZ3 LYS 77 3HZ LYS 77 9.610 8.741 12.106 603 H TYR 78 H TYR 78 6.485 4.486 5.808 604 HA TYR 78 HA TYR 78 5.343 2.347 7.426 605 HB2 TYR 78 2HB TYR 78 4.199 4.107 5.222 606 HB3 TYR 78 1HB TYR 78 3.276 2.798 5.952 607 HD1 TYR 78 HD1 TYR 78 1.506 4.116 6.919 608 HD2 TYR 78 HD2 TYR 78 5.563 5.092 7.832 609 HE1 TYR 78 HE1 TYR 78 0.760 5.653 8.683 610 HE2 TYR 78 HE2 TYR 78 4.812 6.616 9.578 611 HH TYR 78 HH TYR 78 1.599 6.705 10.687 612 H ILE 79 H ILE 79 7.477 2.129 5.063 613 HA ILE 79 HA ILE 79 6.396 0.262 3.236 614 HB ILE 79 HB ILE 79 8.458 1.367 2.657 615 HG12 ILE 79 2HG1 ILE 79 9.004 -1.604 3.095 616 HG13 ILE 79 1HG1 ILE 79 8.202 -0.886 1.702 617 HG21 ILE 79 1HG2 ILE 79 10.598 1.077 3.827 618 HG22 ILE 79 2HG2 ILE 79 9.809 0.065 5.037 619 HG23 ILE 79 3HG2 ILE 79 9.376 1.768 4.896 620 HD11 ILE 79 1HD1 ILE 79 11.091 -0.500 2.487 621 HD12 ILE 79 2HD1 ILE 79 10.290 0.260 1.108 622 HD13 ILE 79 3HD1 ILE 79 10.473 -1.491 1.166 623 H ILE 80 H ILE 80 5.309 -1.403 4.042 624 HA ILE 80 HA ILE 80 5.999 -2.691 6.552 625 HB ILE 80 HB ILE 80 3.647 -2.123 6.030 626 HG12 ILE 80 2HG1 ILE 80 3.942 -5.157 6.227 627 HG13 ILE 80 1HG1 ILE 80 4.199 -4.052 7.573 628 HG21 ILE 80 1HG2 ILE 80 2.322 -3.356 4.364 629 HG22 ILE 80 2HG2 ILE 80 3.772 -4.200 3.820 630 HG23 ILE 80 3HG2 ILE 80 3.633 -2.453 3.600 631 HD11 ILE 80 1HD1 ILE 80 1.598 -4.412 6.077 632 HD12 ILE 80 2HD1 ILE 80 1.874 -3.333 7.449 633 HD13 ILE 80 3HD1 ILE 80 1.998 -5.077 7.663 634 H GLY 81 H GLY 81 6.342 -3.262 3.179 635 HA2 GLY 81 2HA GLY 81 8.315 -5.257 3.457 636 HA3 GLY 81 1HA GLY 81 6.777 -6.024 3.043 637 H GLU 82 H GLU 82 7.780 -6.684 1.056 638 HA GLU 82 HA GLU 82 7.807 -4.550 -0.998 639 HB2 GLU 82 2HB GLU 82 9.065 -6.036 -2.447 640 HB3 GLU 82 1HB GLU 82 9.906 -5.878 -0.913 641 HG2 GLU 82 2HG GLU 82 9.632 -8.108 -0.348 642 HG3 GLU 82 1HG GLU 82 8.079 -8.235 -1.168 643 H LEU 83 H LEU 83 6.359 -4.708 -2.671 644 HA LEU 83 HA LEU 83 4.344 -6.800 -2.693 645 HB2 LEU 83 2HB LEU 83 4.096 -4.247 -3.365 646 HB3 LEU 83 1HB LEU 83 4.722 -4.767 -4.916 647 HG LEU 83 HG LEU 83 2.232 -4.580 -4.856 648 HD11 LEU 83 1HD1 LEU 83 3.070 -7.432 -5.312 649 HD12 LEU 83 2HD1 LEU 83 3.223 -6.109 -6.468 650 HD13 LEU 83 3HD1 LEU 83 1.627 -6.630 -5.937 651 HD21 LEU 83 1HD2 LEU 83 2.297 -6.862 -2.865 652 HD22 LEU 83 2HD2 LEU 83 0.859 -6.141 -3.589 653 HD23 LEU 83 3HD2 LEU 83 1.871 -5.184 -2.513 654 H HIS 84 H HIS 84 4.228 -8.437 -4.294 655 HA HIS 84 HA HIS 84 6.645 -9.539 -5.225 656 HB2 HIS 84 2HB HIS 84 3.757 -10.092 -6.003 657 HB3 HIS 84 1HB HIS 84 5.103 -11.026 -6.652 658 HD1 HIS 84 HD1 HIS 84 3.005 -12.469 -5.113 659 HD2 HIS 84 HD2 HIS 84 6.378 -10.847 -3.322 660 HE1 HIS 84 HE1 HIS 84 3.357 -13.781 -3.004 661 HE2 HIS 84 HE2 HIS 84 5.525 -12.937 -2.081 662 HA PRO 85 HA PRO 85 7.348 -7.258 -9.103 663 HB2 PRO 85 2HB PRO 85 8.961 -9.137 -10.363 664 HB3 PRO 85 1HB PRO 85 9.541 -8.055 -9.076 665 HG2 PRO 85 2HG PRO 85 8.615 -10.910 -8.844 666 HG3 PRO 85 1HG PRO 85 10.057 -10.138 -8.143 667 HD2 PRO 85 2HD PRO 85 7.867 -10.536 -6.645 668 HD3 PRO 85 1HD PRO 85 8.831 -9.053 -6.458 669 H ASP 86 H ASP 86 5.962 -10.408 -8.836 670 HA ASP 86 HA ASP 86 4.972 -10.725 -11.509 671 HB2 ASP 86 2HB ASP 86 5.337 -12.713 -10.161 672 HB3 ASP 86 1HB ASP 86 4.328 -12.092 -8.860 673 H ASP 87 H ASP 87 3.494 -9.927 -8.358 674 HA ASP 87 HA ASP 87 0.831 -9.717 -9.363 675 HB2 ASP 87 2HB ASP 87 2.120 -9.088 -6.695 676 HB3 ASP 87 1HB ASP 87 0.442 -8.654 -6.982 677 H ARG 88 H ARG 88 3.363 -7.353 -8.725 678 HA ARG 88 HA ARG 88 1.730 -5.022 -8.772 679 HB2 ARG 88 2HB ARG 88 3.789 -3.752 -8.848 680 HB3 ARG 88 1HB ARG 88 4.011 -5.113 -7.769 681 HG2 ARG 88 2HG ARG 88 6.024 -5.241 -8.864 682 HG3 ARG 88 1HG ARG 88 5.079 -6.228 -9.976 683 HD2 ARG 88 2HD ARG 88 4.735 -4.187 -11.410 684 HD3 ARG 88 1HD ARG 88 5.796 -3.284 -10.323 685 HE ARG 88 HE ARG 88 7.314 -5.413 -11.044 686 HH11 ARG 88 1HH1 ARG 88 5.562 -3.022 -12.971 687 HH12 ARG 88 2HH1 ARG 88 6.670 -3.131 -14.300 688 HH21 ARG 88 1HH2 ARG 88 8.735 -5.508 -12.797 689 HH22 ARG 88 2HH2 ARG 88 8.455 -4.535 -14.206 690 H SER 89 H SER 89 3.261 -6.949 -11.251 691 HA SER 89 HA SER 89 2.766 -5.047 -13.414 692 HB2 SER 89 2HB SER 89 4.889 -6.337 -13.356 693 HB3 SER 89 1HB SER 89 3.979 -7.848 -13.438 694 HG SER 89 HG SER 89 3.896 -7.603 -15.515 695 H LYS 90 H LYS 90 1.458 -7.950 -12.015 696 HA LYS 90 HA LYS 90 -0.165 -8.866 -14.177 697 HB2 LYS 90 2HB LYS 90 0.660 -10.316 -12.355 698 HB3 LYS 90 1HB LYS 90 -0.264 -9.398 -11.177 699 HG2 LYS 90 2HG LYS 90 -2.361 -10.228 -12.111 700 HG3 LYS 90 1HG LYS 90 -1.488 -11.051 -13.411 701 HD2 LYS 90 2HD LYS 90 -2.123 -12.647 -11.638 702 HD3 LYS 90 1HD LYS 90 -0.368 -12.509 -11.761 703 HE2 LYS 90 2HE LYS 90 -0.501 -10.837 -9.821 704 HE3 LYS 90 1HE LYS 90 -2.183 -11.332 -9.632 705 HZ1 LYS 90 1HZ LYS 90 0.199 -13.091 -9.430 706 HZ2 LYS 90 2HZ LYS 90 -1.406 -13.599 -9.267 707 HZ3 LYS 90 3HZ LYS 90 -0.739 -12.530 -8.135 708 H ILE 91 H ILE 91 -1.035 -7.427 -11.036 709 HA ILE 91 HA ILE 91 -3.626 -6.496 -12.055 710 HB ILE 91 HB ILE 91 -2.684 -6.357 -9.156 711 HG12 ILE 91 2HG1 ILE 91 -3.874 -8.782 -10.595 712 HG13 ILE 91 1HG1 ILE 91 -2.286 -8.669 -9.857 713 HG21 ILE 91 1HG2 ILE 91 -4.773 -5.145 -9.686 714 HG22 ILE 91 2HG2 ILE 91 -5.094 -6.513 -8.623 715 HG23 ILE 91 3HG2 ILE 91 -5.481 -6.624 -10.342 716 HD11 ILE 91 1HD1 ILE 91 -4.919 -8.662 -8.397 717 HD12 ILE 91 2HD1 ILE 91 -3.326 -8.492 -7.653 718 HD13 ILE 91 3HD1 ILE 91 -3.754 -9.981 -8.493 719 H ALA 92 H ALA 92 -0.978 -5.274 -12.738 720 HA ALA 92 HA ALA 92 -0.934 -2.585 -11.844 721 HB1 ALA 92 1HB ALA 92 0.360 -2.121 -13.887 722 HB2 ALA 92 2HB ALA 92 -0.078 -3.704 -14.534 723 HB3 ALA 92 3HB ALA 92 0.936 -3.590 -13.098 724 H LYS 93 H LYS 93 -3.136 -4.325 -13.764 725 HA LYS 93 HA LYS 93 -4.673 -1.885 -14.470 726 HB2 LYS 93 2HB LYS 93 -4.938 -4.731 -15.575 727 HB3 LYS 93 1HB LYS 93 -5.776 -3.300 -16.169 728 HG2 LYS 93 2HG LYS 93 -3.822 -2.422 -17.183 729 HG3 LYS 93 1HG LYS 93 -2.749 -3.446 -16.233 730 HD2 LYS 93 2HD LYS 93 -4.634 -4.455 -18.400 731 HD3 LYS 93 1HD LYS 93 -2.916 -4.126 -18.638 732 HE2 LYS 93 2HE LYS 93 -2.363 -5.865 -16.939 733 HE3 LYS 93 1HE LYS 93 -4.084 -6.199 -16.735 734 HZ1 LYS 93 1HZ LYS 93 -2.508 -6.592 -19.226 735 HZ2 LYS 93 2HZ LYS 93 -4.173 -6.850 -19.078 736 HZ3 LYS 93 3HZ LYS 93 -3.090 -7.808 -18.195 737 HA PRO 94 HA PRO 94 -6.699 -4.164 -10.916 738 HB2 PRO 94 2HB PRO 94 -6.795 -2.205 -9.049 739 HB3 PRO 94 1HB PRO 94 -5.280 -3.056 -9.421 740 HG2 PRO 94 2HG PRO 94 -6.137 -0.308 -10.220 741 HG3 PRO 94 1HG PRO 94 -4.512 -0.918 -9.839 742 HD2 PRO 94 2HD PRO 94 -5.600 -0.570 -12.440 743 HD3 PRO 94 1HD PRO 94 -4.108 -1.433 -12.033 744 H SER 95 H SER 95 -8.826 -4.422 -10.685 745 HA SER 95 HA SER 95 -10.540 -3.157 -12.544 746 HB2 SER 95 2HB SER 95 -10.644 -5.566 -12.035 747 HB3 SER 95 1HB SER 95 -11.123 -5.224 -10.373 748 HG SER 95 HG SER 95 -13.084 -4.685 -11.035 749 H GLU 96 H GLU 96 -10.522 -3.278 -8.989 750 HA GLU 96 HA GLU 96 -12.671 -1.251 -8.841 751 HB2 GLU 96 2HB GLU 96 -11.639 -3.124 -6.655 752 HB3 GLU 96 1HB GLU 96 -13.057 -2.076 -6.557 753 HG2 GLU 96 2HG GLU 96 -14.173 -3.401 -8.309 754 HG3 GLU 96 1HG GLU 96 -12.748 -4.435 -8.443 755 H THR 97 H THR 97 -9.951 -0.483 -9.458 756 HA THR 97 HA THR 97 -9.369 1.254 -7.151 757 HB THR 97 HB THR 97 -7.331 -0.527 -8.518 758 HG1 THR 97 HG1 THR 97 -6.960 -0.989 -6.160 759 HG21 THR 97 1HG2 THR 97 -6.786 1.749 -6.581 760 HG22 THR 97 2HG2 THR 97 -6.280 1.674 -8.270 761 HG23 THR 97 3HG2 THR 97 -5.601 0.549 -7.094 762 H LEU 98 H LEU 98 -8.032 0.558 -10.420 763 HA LEU 98 HA LEU 98 -8.436 3.365 -11.205 764 HB2 LEU 98 2HB LEU 98 -6.059 2.836 -10.147 765 HB3 LEU 98 1HB LEU 98 -5.732 2.058 -11.681 766 HG LEU 98 HG LEU 98 -6.454 5.005 -11.343 767 HD11 LEU 98 1HD1 LEU 98 -4.108 5.496 -11.841 768 HD12 LEU 98 2HD1 LEU 98 -3.735 3.768 -11.847 769 HD13 LEU 98 3HD1 LEU 98 -4.277 4.555 -10.361 770 HD21 LEU 98 1HD2 LEU 98 -7.119 4.198 -13.556 771 HD22 LEU 98 2HD2 LEU 98 -5.506 3.537 -13.830 772 HD23 LEU 98 3HD2 LEU 98 -5.739 5.283 -13.689 Start of MODEL 3 1 H1 ALA 1 1H ALA 1 12.778 -21.632 10.487 2 H2 ALA 1 2H ALA 1 11.146 -21.655 10.064 3 H3 ALA 1 3H ALA 1 11.712 -22.658 11.298 4 HA ALA 1 HA ALA 1 10.517 -20.777 12.183 5 HB1 ALA 1 1HB ALA 1 12.231 -20.054 13.807 6 HB2 ALA 1 2HB ALA 1 13.501 -20.694 12.756 7 HB3 ALA 1 3HB ALA 1 12.335 -21.789 13.500 8 H GLU 2 H GLU 2 13.411 -19.810 10.322 9 HA GLU 2 HA GLU 2 12.558 -16.990 10.394 10 HB2 GLU 2 2HB GLU 2 15.223 -18.212 9.550 11 HB3 GLU 2 1HB GLU 2 14.854 -16.486 9.591 12 HG2 GLU 2 2HG GLU 2 14.375 -16.799 12.096 13 HG3 GLU 2 1HG GLU 2 15.112 -18.399 11.930 14 H GLN 3 H GLN 3 10.972 -16.909 8.853 15 HA GLN 3 HA GLN 3 11.613 -17.471 6.033 16 HB2 GLN 3 2HB GLN 3 9.353 -18.035 6.896 17 HB3 GLN 3 1HB GLN 3 9.102 -16.364 7.369 18 HG2 GLN 3 2HG GLN 3 7.863 -16.870 5.327 19 HG3 GLN 3 1HG GLN 3 9.115 -15.669 5.007 20 HE21 GLN 3 1HE2 GLN 3 8.083 -18.959 4.456 21 HE22 GLN 3 2HE2 GLN 3 9.163 -19.285 3.145 22 H SER 4 H SER 4 11.532 -15.731 4.463 23 HA SER 4 HA SER 4 12.958 -13.406 5.013 24 HB2 SER 4 2HB SER 4 12.139 -12.712 2.694 25 HB3 SER 4 1HB SER 4 12.883 -14.311 2.780 26 HG SER 4 HG SER 4 10.075 -13.826 2.874 27 H ASP 5 H ASP 5 9.541 -14.004 5.209 28 HA ASP 5 HA ASP 5 8.558 -11.341 5.158 29 HB2 ASP 5 2HB ASP 5 7.334 -13.941 6.167 30 HB3 ASP 5 1HB ASP 5 6.443 -12.420 6.040 31 H LYS 6 H LYS 6 10.343 -12.889 7.579 32 HA LYS 6 HA LYS 6 9.456 -11.483 9.883 33 HB2 LYS 6 2HB LYS 6 11.071 -13.296 10.117 34 HB3 LYS 6 1HB LYS 6 12.221 -12.482 9.058 35 HG2 LYS 6 2HG LYS 6 12.467 -10.674 10.777 36 HG3 LYS 6 1HG LYS 6 11.376 -11.569 11.837 37 HD2 LYS 6 2HD LYS 6 14.068 -12.584 10.826 38 HD3 LYS 6 1HD LYS 6 13.781 -11.880 12.418 39 HE2 LYS 6 2HE LYS 6 12.140 -13.736 12.870 40 HE3 LYS 6 1HE LYS 6 12.612 -14.464 11.333 41 HZ1 LYS 6 1HZ LYS 6 14.901 -14.570 12.170 42 HZ2 LYS 6 2HZ LYS 6 13.826 -15.474 13.112 43 HZ3 LYS 6 3HZ LYS 6 14.385 -13.983 13.670 44 H ASP 7 H ASP 7 11.780 -10.752 7.336 45 HA ASP 7 HA ASP 7 12.373 -8.070 8.329 46 HB2 ASP 7 2HB ASP 7 14.275 -9.396 7.645 47 HB3 ASP 7 1HB ASP 7 13.517 -9.819 6.115 48 H VAL 8 H VAL 8 11.466 -9.485 5.172 49 HA VAL 8 HA VAL 8 9.946 -7.041 4.465 50 HB VAL 8 HB VAL 8 11.995 -7.039 3.180 51 HG11 VAL 8 1HG1 VAL 8 12.662 -9.391 3.410 52 HG12 VAL 8 2HG1 VAL 8 12.749 -8.873 1.726 53 HG13 VAL 8 3HG1 VAL 8 11.401 -9.878 2.269 54 HG21 VAL 8 1HG2 VAL 8 11.168 -7.111 0.852 55 HG22 VAL 8 2HG2 VAL 8 10.004 -6.341 1.932 56 HG23 VAL 8 3HG2 VAL 8 9.735 -7.997 1.387 57 H LYS 9 H LYS 9 7.816 -7.502 4.332 58 HA LYS 9 HA LYS 9 6.903 -10.257 4.165 59 HB2 LYS 9 2HB LYS 9 5.402 -7.656 4.641 60 HB3 LYS 9 1HB LYS 9 4.619 -9.240 4.581 61 HG2 LYS 9 2HG LYS 9 6.071 -9.990 6.461 62 HG3 LYS 9 1HG LYS 9 6.760 -8.366 6.548 63 HD2 LYS 9 2HD LYS 9 4.523 -7.455 7.124 64 HD3 LYS 9 1HD LYS 9 3.829 -9.078 7.012 65 HE2 LYS 9 2HE LYS 9 5.407 -9.791 8.847 66 HE3 LYS 9 1HE LYS 9 5.898 -8.104 9.015 67 HZ1 LYS 9 1HZ LYS 9 3.177 -9.212 9.447 68 HZ2 LYS 9 2HZ LYS 9 3.566 -7.573 9.510 69 HZ3 LYS 9 3HZ LYS 9 4.239 -8.639 10.632 70 H TYR 10 H TYR 10 6.219 -11.222 2.440 71 HA TYR 10 HA TYR 10 6.125 -9.895 -0.135 72 HB2 TYR 10 2HB TYR 10 6.051 -12.809 0.759 73 HB3 TYR 10 1HB TYR 10 5.831 -12.339 -0.925 74 HD1 TYR 10 HD1 TYR 10 7.727 -12.297 -2.288 75 HD2 TYR 10 HD2 TYR 10 8.245 -11.734 1.911 76 HE1 TYR 10 HE1 TYR 10 10.166 -12.195 -2.597 77 HE2 TYR 10 HE2 TYR 10 10.674 -11.625 1.606 78 HH TYR 10 HH TYR 10 12.140 -11.168 -1.367 79 H TYR 11 H TYR 11 4.289 -8.814 -0.425 80 HA TYR 11 HA TYR 11 1.657 -9.931 0.223 81 HB2 TYR 11 2HB TYR 11 2.734 -7.166 -0.364 82 HB3 TYR 11 1HB TYR 11 1.037 -7.471 -0.700 83 HD1 TYR 11 HD1 TYR 11 3.556 -7.877 2.097 84 HD2 TYR 11 HD2 TYR 11 -0.510 -7.119 0.990 85 HE1 TYR 11 HE1 TYR 11 2.985 -7.471 4.454 86 HE2 TYR 11 HE2 TYR 11 -1.076 -6.728 3.328 87 HH TYR 11 HH TYR 11 -0.236 -7.340 5.557 88 H THR 12 H THR 12 0.084 -10.277 -1.297 89 HA THR 12 HA THR 12 0.729 -9.968 -4.164 90 HB THR 12 HB THR 12 -1.371 -11.216 -4.600 91 HG1 THR 12 HG1 THR 12 -2.694 -11.880 -3.005 92 HG21 THR 12 1HG2 THR 12 0.350 -12.659 -2.553 93 HG22 THR 12 2HG2 THR 12 0.677 -12.551 -4.286 94 HG23 THR 12 3HG2 THR 12 -0.747 -13.418 -3.709 95 H LEU 13 H LEU 13 -0.593 -8.594 -5.449 96 HA LEU 13 HA LEU 13 -1.753 -6.314 -4.199 97 HB2 LEU 13 2HB LEU 13 -0.580 -6.467 -6.503 98 HB3 LEU 13 1HB LEU 13 -2.099 -7.084 -7.121 99 HG LEU 13 HG LEU 13 -3.228 -4.974 -6.696 100 HD11 LEU 13 1HD1 LEU 13 -2.241 -4.429 -4.526 101 HD12 LEU 13 2HD1 LEU 13 -2.125 -3.061 -5.627 102 HD13 LEU 13 3HD1 LEU 13 -0.698 -4.050 -5.299 103 HD21 LEU 13 1HD2 LEU 13 -1.861 -5.049 -8.748 104 HD22 LEU 13 2HD2 LEU 13 -0.487 -4.379 -7.867 105 HD23 LEU 13 3HD2 LEU 13 -1.951 -3.418 -8.091 106 H GLU 14 H GLU 14 -2.933 -9.384 -5.293 107 HA GLU 14 HA GLU 14 -5.715 -9.046 -5.151 108 HB2 GLU 14 2HB GLU 14 -4.650 -11.071 -6.045 109 HB3 GLU 14 1HB GLU 14 -3.955 -11.440 -4.468 110 HG2 GLU 14 2HG GLU 14 -6.244 -11.789 -3.557 111 HG3 GLU 14 1HG GLU 14 -6.919 -11.455 -5.159 112 H GLU 15 H GLU 15 -3.286 -9.742 -2.632 113 HA GLU 15 HA GLU 15 -4.942 -10.102 -0.399 114 HB2 GLU 15 2HB GLU 15 -2.556 -10.645 -0.365 115 HB3 GLU 15 1HB GLU 15 -2.125 -8.963 -0.588 116 HG2 GLU 15 2HG GLU 15 -1.744 -9.707 1.719 117 HG3 GLU 15 1HG GLU 15 -2.942 -8.406 1.636 118 H ILE 16 H ILE 16 -3.648 -7.149 -1.874 119 HA ILE 16 HA ILE 16 -4.699 -5.382 0.141 120 HB ILE 16 HB ILE 16 -3.720 -4.684 -2.664 121 HG12 ILE 16 2HG1 ILE 16 -2.138 -4.797 -0.044 122 HG13 ILE 16 1HG1 ILE 16 -1.992 -5.948 -1.370 123 HG21 ILE 16 1HG2 ILE 16 -5.015 -2.874 -1.590 124 HG22 ILE 16 2HG2 ILE 16 -3.313 -2.430 -1.706 125 HG23 ILE 16 3HG2 ILE 16 -3.979 -2.963 -0.161 126 HD11 ILE 16 1HD1 ILE 16 -1.277 -3.019 -1.469 127 HD12 ILE 16 2HD1 ILE 16 -1.156 -4.156 -2.815 128 HD13 ILE 16 3HD1 ILE 16 -0.163 -4.383 -1.379 129 H GLN 17 H GLN 17 -5.830 -6.736 -2.903 130 HA GLN 17 HA GLN 17 -7.893 -4.897 -3.502 131 HB2 GLN 17 2HB GLN 17 -7.093 -7.572 -4.541 132 HB3 GLN 17 1HB GLN 17 -8.760 -7.116 -4.846 133 HG2 GLN 17 2HG GLN 17 -6.493 -5.247 -5.557 134 HG3 GLN 17 1HG GLN 17 -6.949 -6.562 -6.631 135 HE21 GLN 17 1HE2 GLN 17 -9.436 -4.782 -4.794 136 HE22 GLN 17 2HE2 GLN 17 -10.088 -3.975 -6.161 137 H LYS 18 H LYS 18 -7.880 -7.048 -0.898 138 HA LYS 18 HA LYS 18 -10.799 -7.158 -0.671 139 HB2 LYS 18 2HB LYS 18 -10.443 -8.258 1.461 140 HB3 LYS 18 1HB LYS 18 -9.331 -8.964 0.289 141 HG2 LYS 18 2HG LYS 18 -7.496 -7.593 1.196 142 HG3 LYS 18 1HG LYS 18 -8.598 -6.863 2.359 143 HD2 LYS 18 2HD LYS 18 -7.209 -8.625 3.387 144 HD3 LYS 18 1HD LYS 18 -8.928 -9.020 3.466 145 HE2 LYS 18 2HE LYS 18 -8.708 -10.663 1.715 146 HE3 LYS 18 1HE LYS 18 -7.079 -10.116 1.312 147 HZ1 LYS 18 1HZ LYS 18 -6.252 -10.958 3.345 148 HZ2 LYS 18 2HZ LYS 18 -7.183 -12.194 2.651 149 HZ3 LYS 18 3HZ LYS 18 -7.801 -11.288 3.934 150 H HIS 19 H HIS 19 -9.100 -4.553 -0.804 151 HA HIS 19 HA HIS 19 -9.321 -3.199 1.664 152 HB2 HIS 19 2HB HIS 19 -8.978 -1.083 0.250 153 HB3 HIS 19 1HB HIS 19 -7.717 -2.299 0.179 154 HD1 HIS 19 HD1 HIS 19 -6.905 -2.779 -2.139 155 HD2 HIS 19 HD2 HIS 19 -10.746 -1.254 -2.170 156 HE1 HIS 19 HE1 HIS 19 -7.503 -2.504 -4.555 157 HE2 HIS 19 HE2 HIS 19 -9.705 -1.298 -4.504 158 H LYS 20 H LYS 20 -11.314 -3.465 2.516 159 HA LYS 20 HA LYS 20 -13.339 -1.549 1.678 160 HB2 LYS 20 2HB LYS 20 -15.189 -3.250 1.835 161 HB3 LYS 20 1HB LYS 20 -14.132 -3.427 0.439 162 HG2 LYS 20 2HG LYS 20 -12.915 -5.264 1.662 163 HG3 LYS 20 1HG LYS 20 -14.112 -5.142 2.956 164 HD2 LYS 20 2HD LYS 20 -14.654 -6.990 1.405 165 HD3 LYS 20 1HD LYS 20 -15.907 -5.747 1.375 166 HE2 LYS 20 2HE LYS 20 -14.808 -4.817 -0.713 167 HE3 LYS 20 1HE LYS 20 -13.733 -6.215 -0.695 168 HZ1 LYS 20 1HZ LYS 20 -15.668 -7.650 -0.895 169 HZ2 LYS 20 2HZ LYS 20 -15.601 -6.547 -2.171 170 HZ3 LYS 20 3HZ LYS 20 -16.692 -6.302 -0.908 171 H ASP 21 H ASP 21 -11.406 -2.166 3.877 172 HA ASP 21 HA ASP 21 -13.043 -1.093 5.980 173 HB2 ASP 21 2HB ASP 21 -13.263 -3.644 6.235 174 HB3 ASP 21 1HB ASP 21 -11.542 -3.682 6.582 175 H SER 22 H SER 22 -11.658 -0.418 7.825 176 HA SER 22 HA SER 22 -9.511 1.148 7.021 177 HB2 SER 22 2HB SER 22 -10.121 0.161 9.849 178 HB3 SER 22 1HB SER 22 -9.197 1.607 9.421 179 HG SER 22 HG SER 22 -11.306 2.128 8.237 180 H LYS 23 H LYS 23 -9.546 -2.096 8.555 181 HA LYS 23 HA LYS 23 -6.775 -2.079 9.270 182 HB2 LYS 23 2HB LYS 23 -7.112 -4.139 10.305 183 HB3 LYS 23 1HB LYS 23 -8.728 -3.477 10.349 184 HG2 LYS 23 2HG LYS 23 -7.757 -5.542 8.332 185 HG3 LYS 23 1HG LYS 23 -8.632 -5.920 9.818 186 HD2 LYS 23 2HD LYS 23 -10.575 -4.634 8.999 187 HD3 LYS 23 1HD LYS 23 -9.696 -4.234 7.520 188 HE2 LYS 23 2HE LYS 23 -11.260 -6.041 7.074 189 HE3 LYS 23 1HE LYS 23 -9.616 -6.656 6.953 190 HZ1 LYS 23 1HZ LYS 23 -11.019 -8.195 8.128 191 HZ2 LYS 23 2HZ LYS 23 -11.442 -7.021 9.265 192 HZ3 LYS 23 3HZ LYS 23 -9.852 -7.583 9.184 193 H SER 24 H SER 24 -8.531 -3.259 6.453 194 HA SER 24 HA SER 24 -6.054 -4.395 5.300 195 HB2 SER 24 2HB SER 24 -8.968 -4.761 4.479 196 HB3 SER 24 1HB SER 24 -7.585 -5.473 3.639 197 HG SER 24 HG SER 24 -7.157 -6.208 6.018 198 H THR 25 H THR 25 -5.228 -2.245 5.001 199 HA THR 25 HA THR 25 -5.902 -1.236 2.340 200 HB THR 25 HB THR 25 -5.689 0.642 4.741 201 HG1 THR 25 HG1 THR 25 -7.751 -0.421 4.538 202 HG21 THR 25 1HG2 THR 25 -6.154 2.453 3.154 203 HG22 THR 25 2HG2 THR 25 -6.226 1.301 1.821 204 HG23 THR 25 3HG2 THR 25 -4.699 1.590 2.655 205 H TRP 26 H TRP 26 -4.073 -1.217 1.255 206 HA TRP 26 HA TRP 26 -1.523 -0.318 2.399 207 HB2 TRP 26 2HB TRP 26 -1.831 -2.929 0.837 208 HB3 TRP 26 1HB TRP 26 -0.309 -2.229 1.369 209 HD1 TRP 26 HD TRP 26 0.214 -2.379 4.073 210 HE1 TRP 26 HE1 TRP 26 -0.609 -4.048 5.837 211 HE3 TRP 26 HE3 TRP 26 -3.750 -4.347 1.529 212 HZ2 TRP 26 HZ2 TRP 26 -2.665 -5.978 6.112 213 HZ3 TRP 26 HZ3 TRP 26 -5.090 -6.122 2.594 214 HH2 TRP 26 HH TRP 26 -4.557 -6.918 4.848 215 H VAL 27 H VAL 27 0.038 0.180 0.553 216 HA VAL 27 HA VAL 27 -1.217 0.470 -2.117 217 HB VAL 27 HB VAL 27 -0.171 2.759 -2.396 218 HG11 VAL 27 1HG1 VAL 27 -2.310 2.605 -0.240 219 HG12 VAL 27 2HG1 VAL 27 -2.583 2.575 -1.984 220 HG13 VAL 27 3HG1 VAL 27 -1.927 4.025 -1.221 221 HG21 VAL 27 1HG2 VAL 27 1.496 2.620 -0.589 222 HG22 VAL 27 2HG2 VAL 27 0.209 2.619 0.621 223 HG23 VAL 27 3HG2 VAL 27 0.471 4.044 -0.387 224 H ILE 28 H ILE 28 0.313 0.649 -3.864 225 HA ILE 28 HA ILE 28 3.087 -0.157 -3.195 226 HB ILE 28 HB ILE 28 3.134 -1.808 -4.982 227 HG12 ILE 28 2HG1 ILE 28 0.621 -2.419 -5.953 228 HG13 ILE 28 1HG1 ILE 28 0.451 -0.677 -5.808 229 HG21 ILE 28 1HG2 ILE 28 1.478 -3.453 -4.076 230 HG22 ILE 28 2HG2 ILE 28 0.729 -2.147 -3.166 231 HG23 ILE 28 3HG2 ILE 28 2.397 -2.613 -2.830 232 HD11 ILE 28 1HD1 ILE 28 2.557 -2.115 -7.428 233 HD12 ILE 28 2HD1 ILE 28 2.334 -0.366 -7.322 234 HD13 ILE 28 3HD1 ILE 28 1.083 -1.371 -8.051 235 H LEU 29 H LEU 29 4.647 0.919 -4.276 236 HA LEU 29 HA LEU 29 3.814 3.071 -6.095 237 HB2 LEU 29 2HB LEU 29 5.820 4.148 -5.653 238 HB3 LEU 29 1HB LEU 29 5.540 3.308 -4.144 239 HG LEU 29 HG LEU 29 7.524 2.472 -6.302 240 HD11 LEU 29 1HD1 LEU 29 8.034 3.680 -3.572 241 HD12 LEU 29 2HD1 LEU 29 8.228 4.492 -5.129 242 HD13 LEU 29 3HD1 LEU 29 9.264 3.127 -4.717 243 HD21 LEU 29 1HD2 LEU 29 8.376 0.811 -4.703 244 HD22 LEU 29 2HD2 LEU 29 6.697 0.489 -5.128 245 HD23 LEU 29 3HD2 LEU 29 7.085 1.224 -3.573 246 H HIS 30 H HIS 30 5.154 -0.067 -6.247 247 HA HIS 30 HA HIS 30 5.299 -0.328 -9.027 248 HB2 HIS 30 2HB HIS 30 7.265 1.179 -8.903 249 HB3 HIS 30 1HB HIS 30 8.003 0.161 -7.678 250 HD1 HIS 30 HD1 HIS 30 9.423 -1.777 -8.495 251 HD2 HIS 30 HD2 HIS 30 7.229 -0.003 -11.544 252 HE1 HIS 30 HE1 HIS 30 10.248 -2.819 -10.623 253 HE2 HIS 30 HE2 HIS 30 9.057 -1.579 -12.454 254 H HIS 31 H HIS 31 7.594 -1.455 -6.513 255 HA HIS 31 HA HIS 31 6.555 -4.233 -6.777 256 HB2 HIS 31 2HB HIS 31 8.624 -4.013 -8.075 257 HB3 HIS 31 1HB HIS 31 9.443 -3.250 -6.728 258 HD1 HIS 31 HD1 HIS 31 11.142 -4.782 -5.838 259 HD2 HIS 31 HD2 HIS 31 7.759 -6.859 -7.049 260 HE1 HIS 31 HE1 HIS 31 11.592 -7.174 -5.280 261 HE2 HIS 31 HE2 HIS 31 9.424 -8.348 -5.758 262 H LYS 32 H LYS 32 6.949 -1.692 -4.660 263 HA LYS 32 HA LYS 32 7.361 -3.470 -2.311 264 HB2 LYS 32 2HB LYS 32 7.965 -0.485 -2.515 265 HB3 LYS 32 1HB LYS 32 8.240 -1.504 -1.098 266 HG2 LYS 32 2HG LYS 32 9.625 -1.793 -3.793 267 HG3 LYS 32 1HG LYS 32 10.324 -1.041 -2.355 268 HD2 LYS 32 2HD LYS 32 9.424 -3.945 -2.513 269 HD3 LYS 32 1HD LYS 32 11.081 -3.399 -2.778 270 HE2 LYS 32 2HE LYS 32 9.512 -3.023 -0.206 271 HE3 LYS 32 1HE LYS 32 10.730 -4.271 -0.489 272 HZ1 LYS 32 1HZ LYS 32 12.382 -2.556 -0.799 273 HZ2 LYS 32 2HZ LYS 32 11.634 -2.372 0.703 274 HZ3 LYS 32 3HZ LYS 32 11.227 -1.342 -0.574 275 H VAL 33 H VAL 33 5.811 -3.514 -0.795 276 HA VAL 33 HA VAL 33 3.390 -1.871 -1.168 277 HB VAL 33 HB VAL 33 3.014 -4.314 -1.164 278 HG11 VAL 33 1HG1 VAL 33 4.914 -5.035 0.204 279 HG12 VAL 33 2HG1 VAL 33 3.409 -5.705 0.825 280 HG13 VAL 33 3HG1 VAL 33 4.169 -4.341 1.644 281 HG21 VAL 33 1HG2 VAL 33 1.223 -2.889 -0.260 282 HG22 VAL 33 2HG2 VAL 33 1.908 -3.022 1.361 283 HG23 VAL 33 3HG2 VAL 33 1.246 -4.454 0.563 284 H TYR 34 H TYR 34 2.517 -0.699 0.522 285 HA TYR 34 HA TYR 34 4.202 -0.103 2.878 286 HB2 TYR 34 2HB TYR 34 2.715 1.950 1.159 287 HB3 TYR 34 1HB TYR 34 3.700 2.299 2.579 288 HD1 TYR 34 HD1 TYR 34 3.749 1.590 -1.013 289 HD2 TYR 34 HD2 TYR 34 6.188 1.969 2.483 290 HE1 TYR 34 HE1 TYR 34 5.746 1.764 -2.422 291 HE2 TYR 34 HE2 TYR 34 8.183 2.144 1.069 292 HH TYR 34 HH TYR 34 8.869 1.428 -1.215 293 H ASP 35 H ASP 35 3.019 0.613 4.681 294 HA ASP 35 HA ASP 35 0.486 -0.784 4.921 295 HB2 ASP 35 2HB ASP 35 2.377 -1.244 6.499 296 HB3 ASP 35 1HB ASP 35 2.292 0.421 7.064 297 H LEU 36 H LEU 36 -1.039 0.550 4.114 298 HA LEU 36 HA LEU 36 -0.988 3.414 4.683 299 HB2 LEU 36 2HB LEU 36 -1.515 2.031 2.373 300 HB3 LEU 36 1HB LEU 36 -3.147 2.276 2.949 301 HG LEU 36 HG LEU 36 -2.448 4.007 1.316 302 HD11 LEU 36 1HD1 LEU 36 -2.841 5.215 4.052 303 HD12 LEU 36 2HD1 LEU 36 -4.121 4.599 3.006 304 HD13 LEU 36 3HD1 LEU 36 -3.160 5.984 2.493 305 HD21 LEU 36 1HD2 LEU 36 -0.738 5.662 1.830 306 HD22 LEU 36 2HD2 LEU 36 -0.037 4.048 1.849 307 HD23 LEU 36 3HD2 LEU 36 -0.384 4.869 3.367 308 H THR 37 H THR 37 -2.542 0.598 5.871 309 HA THR 37 HA THR 37 -4.990 1.580 6.791 310 HB THR 37 HB THR 37 -4.650 -0.783 6.913 311 HG1 THR 37 HG1 THR 37 -5.837 0.341 8.700 312 HG21 THR 37 1HG2 THR 37 -2.427 -0.318 8.918 313 HG22 THR 37 2HG2 THR 37 -2.214 -0.866 7.253 314 HG23 THR 37 3HG2 THR 37 -3.063 -1.886 8.419 315 H LYS 38 H LYS 38 -1.764 2.110 8.091 316 HA LYS 38 HA LYS 38 -2.772 3.467 10.480 317 HB2 LYS 38 2HB LYS 38 -0.332 2.124 9.833 318 HB3 LYS 38 1HB LYS 38 0.115 3.805 10.070 319 HG2 LYS 38 2HG LYS 38 -1.381 2.064 12.064 320 HG3 LYS 38 1HG LYS 38 0.333 2.477 12.136 321 HD2 LYS 38 2HD LYS 38 -1.968 4.480 12.322 322 HD3 LYS 38 1HD LYS 38 -1.061 3.839 13.697 323 HE2 LYS 38 2HE LYS 38 0.995 4.889 12.850 324 HE3 LYS 38 1HE LYS 38 0.128 5.476 11.427 325 HZ1 LYS 38 1HZ LYS 38 -1.252 6.822 12.834 326 HZ2 LYS 38 2HZ LYS 38 0.377 7.178 13.133 327 HZ3 LYS 38 3HZ LYS 38 -0.498 6.229 14.225 328 H PHE 39 H PHE 39 -1.523 4.209 7.324 329 HA PHE 39 HA PHE 39 -0.799 6.941 7.752 330 HB2 PHE 39 2HB PHE 39 0.131 5.403 5.983 331 HB3 PHE 39 1HB PHE 39 -1.404 5.486 5.145 332 HD1 PHE 39 HD1 PHE 39 -2.052 7.590 3.920 333 HD2 PHE 39 HD2 PHE 39 1.761 7.220 5.840 334 HE1 PHE 39 HE1 PHE 39 -1.176 9.451 2.574 335 HE2 PHE 39 HE2 PHE 39 2.611 9.092 4.495 336 HZ PHE 39 HZ PHE 39 1.155 10.200 2.855 337 H LEU 40 H LEU 40 -3.794 5.302 6.861 338 HA LEU 40 HA LEU 40 -5.152 7.625 5.867 339 HB2 LEU 40 2HB LEU 40 -7.155 6.251 5.774 340 HB3 LEU 40 1HB LEU 40 -5.788 5.415 5.076 341 HG LEU 40 HG LEU 40 -5.723 4.257 7.531 342 HD11 LEU 40 1HD1 LEU 40 -7.956 3.807 8.411 343 HD12 LEU 40 2HD1 LEU 40 -8.673 4.888 7.211 344 HD13 LEU 40 3HD1 LEU 40 -7.606 5.532 8.459 345 HD21 LEU 40 1HD2 LEU 40 -7.019 2.378 6.622 346 HD22 LEU 40 2HD2 LEU 40 -5.891 3.030 5.437 347 HD23 LEU 40 3HD2 LEU 40 -7.609 3.411 5.316 348 H GLU 41 H GLU 41 -4.799 6.121 9.018 349 HA GLU 41 HA GLU 41 -6.834 7.769 10.295 350 HB2 GLU 41 2HB GLU 41 -4.756 5.875 11.477 351 HB3 GLU 41 1HB GLU 41 -5.993 6.713 12.419 352 HG2 GLU 41 2HG GLU 41 -7.743 5.531 11.129 353 HG3 GLU 41 1HG GLU 41 -6.492 4.661 10.240 354 H GLU 42 H GLU 42 -3.628 8.197 9.334 355 HA GLU 42 HA GLU 42 -2.536 9.549 11.588 356 HB2 GLU 42 2HB GLU 42 -1.241 8.294 9.800 357 HB3 GLU 42 1HB GLU 42 -1.560 9.631 8.704 358 HG2 GLU 42 2HG GLU 42 0.684 9.806 9.623 359 HG3 GLU 42 1HG GLU 42 -0.313 11.156 10.178 360 H TRP 43 H TRP 43 -3.226 10.902 8.308 361 HA TRP 43 HA TRP 43 -4.270 13.374 9.585 362 HB2 TRP 43 2HB TRP 43 -2.698 13.135 7.009 363 HB3 TRP 43 1HB TRP 43 -3.657 14.552 7.382 364 HD1 TRP 43 HD TRP 43 -0.946 12.615 9.446 365 HE1 TRP 43 HE1 TRP 43 0.698 14.353 10.378 366 HE3 TRP 43 HE3 TRP 43 -2.960 16.843 7.403 367 HZ2 TRP 43 HZ2 TRP 43 1.107 17.136 10.275 368 HZ3 TRP 43 HZ3 TRP 43 -1.881 19.012 7.858 369 HH2 TRP 43 HH TRP 43 0.118 19.154 9.263 370 HA PRO 44 HA PRO 44 -7.074 12.553 5.474 371 HB2 PRO 44 2HB PRO 44 -6.983 9.530 5.624 372 HB3 PRO 44 1HB PRO 44 -7.170 10.586 4.204 373 HG2 PRO 44 2HG PRO 44 -4.836 9.438 4.675 374 HG3 PRO 44 1HG PRO 44 -4.898 11.133 4.133 375 HD2 PRO 44 2HD PRO 44 -4.378 10.052 6.893 376 HD3 PRO 44 1HD PRO 44 -3.643 11.440 6.065 377 H GLY 45 H GLY 45 -7.011 10.413 8.279 378 HA2 GLY 45 2HA GLY 45 -8.480 10.062 9.987 379 HA3 GLY 45 1HA GLY 45 -9.441 11.397 9.370 380 H GLY 46 H GLY 46 -8.849 8.845 7.128 381 HA2 GLY 46 2HA GLY 46 -11.073 7.159 7.689 382 HA3 GLY 46 1HA GLY 46 -11.524 8.405 6.522 383 H GLU 47 H GLU 47 -11.174 5.425 6.325 384 HA GLU 47 HA GLU 47 -8.973 4.973 4.568 385 HB2 GLU 47 2HB GLU 47 -9.784 2.726 4.246 386 HB3 GLU 47 1HB GLU 47 -9.968 3.124 5.945 387 HG2 GLU 47 2HG GLU 47 -12.192 2.993 3.877 388 HG3 GLU 47 1HG GLU 47 -11.833 1.776 5.096 389 H GLU 48 H GLU 48 -12.380 5.755 4.076 390 HA GLU 48 HA GLU 48 -12.937 4.761 1.608 391 HB2 GLU 48 2HB GLU 48 -14.685 6.574 1.465 392 HB3 GLU 48 1HB GLU 48 -14.644 5.676 2.981 393 HG2 GLU 48 2HG GLU 48 -13.337 7.580 3.997 394 HG3 GLU 48 1HG GLU 48 -13.592 8.483 2.502 395 H VAL 49 H VAL 49 -11.280 7.882 2.151 396 HA VAL 49 HA VAL 49 -11.413 8.918 -0.456 397 HB VAL 49 HB VAL 49 -10.852 10.359 1.412 398 HG11 VAL 49 1HG1 VAL 49 -8.732 10.268 2.651 399 HG12 VAL 49 2HG1 VAL 49 -8.246 8.837 1.738 400 HG13 VAL 49 3HG1 VAL 49 -9.631 8.757 2.828 401 HG21 VAL 49 1HG2 VAL 49 -8.923 11.619 0.537 402 HG22 VAL 49 2HG2 VAL 49 -9.988 11.098 -0.773 403 HG23 VAL 49 3HG2 VAL 49 -8.470 10.244 -0.474 404 H LEU 50 H LEU 50 -9.122 6.692 0.992 405 HA LEU 50 HA LEU 50 -7.498 6.551 -1.491 406 HB2 LEU 50 2HB LEU 50 -5.702 5.697 0.181 407 HB3 LEU 50 1HB LEU 50 -6.087 7.403 0.131 408 HG LEU 50 HG LEU 50 -7.717 6.843 2.134 409 HD11 LEU 50 1HD1 LEU 50 -6.950 5.050 3.595 410 HD12 LEU 50 2HD1 LEU 50 -5.788 4.530 2.374 411 HD13 LEU 50 3HD1 LEU 50 -7.522 4.429 2.050 412 HD21 LEU 50 1HD2 LEU 50 -5.923 7.324 3.753 413 HD22 LEU 50 2HD2 LEU 50 -5.850 8.370 2.339 414 HD23 LEU 50 3HD2 LEU 50 -4.716 7.028 2.499 415 H ARG 51 H ARG 51 -9.672 4.829 0.378 416 HA ARG 51 HA ARG 51 -8.661 2.164 0.249 417 HB2 ARG 51 2HB ARG 51 -10.396 2.974 1.856 418 HB3 ARG 51 1HB ARG 51 -11.528 3.169 0.528 419 HG2 ARG 51 2HG ARG 51 -10.587 0.437 0.504 420 HG3 ARG 51 1HG ARG 51 -11.023 0.845 2.160 421 HD2 ARG 51 2HD ARG 51 -13.000 -0.037 1.200 422 HD3 ARG 51 1HD ARG 51 -13.243 1.709 1.213 423 HE ARG 51 HE ARG 51 -12.166 0.554 -1.243 424 HH11 ARG 51 1HH1 ARG 51 -15.062 1.720 0.408 425 HH12 ARG 51 2HH1 ARG 51 -15.952 1.902 -1.066 426 HH21 ARG 51 1HH2 ARG 51 -13.383 0.757 -3.123 427 HH22 ARG 51 2HH2 ARG 51 -14.998 1.356 -3.055 428 H GLU 52 H GLU 52 -10.866 4.096 -1.714 429 HA GLU 52 HA GLU 52 -11.657 2.332 -3.703 430 HB2 GLU 52 2HB GLU 52 -11.884 4.435 -5.116 431 HB3 GLU 52 1HB GLU 52 -12.657 4.505 -3.534 432 HG2 GLU 52 2HG GLU 52 -10.732 5.786 -2.649 433 HG3 GLU 52 1HG GLU 52 -9.978 5.739 -4.250 434 H GLN 53 H GLN 53 -8.503 3.702 -3.211 435 HA GLN 53 HA GLN 53 -7.452 2.452 -5.665 436 HB2 GLN 53 2HB GLN 53 -5.991 4.556 -5.924 437 HB3 GLN 53 1HB GLN 53 -7.694 4.719 -6.341 438 HG2 GLN 53 2HG GLN 53 -8.118 5.725 -4.096 439 HG3 GLN 53 1HG GLN 53 -6.388 5.644 -3.763 440 HE21 GLN 53 1HE2 GLN 53 -5.522 6.435 -6.400 441 HE22 GLN 53 2HE2 GLN 53 -5.869 8.115 -6.536 442 H ALA 54 H ALA 54 -7.444 1.577 -2.928 443 HA ALA 54 HA ALA 54 -4.770 1.901 -1.870 444 HB1 ALA 54 1HB ALA 54 -6.670 1.461 -0.359 445 HB2 ALA 54 2HB ALA 54 -5.454 0.189 -0.225 446 HB3 ALA 54 3HB ALA 54 -6.941 -0.100 -1.135 447 H GLY 55 H GLY 55 -3.026 0.806 -2.613 448 HA2 GLY 55 2HA GLY 55 -1.766 -0.926 -3.561 449 HA3 GLY 55 1HA GLY 55 -3.239 -1.797 -3.932 450 H GLY 56 H GLY 56 -3.995 1.157 -4.989 451 HA2 GLY 56 2HA GLY 56 -3.708 0.564 -7.752 452 HA3 GLY 56 1HA GLY 56 -4.298 2.065 -7.052 453 H ASP 57 H ASP 57 -2.253 3.079 -5.651 454 HA ASP 57 HA ASP 57 0.302 2.860 -6.963 455 HB2 ASP 57 2HB ASP 57 -0.902 4.314 -8.592 456 HB3 ASP 57 1HB ASP 57 -1.315 5.440 -7.299 457 H ALA 58 H ALA 58 1.923 4.317 -5.954 458 HA ALA 58 HA ALA 58 1.243 5.666 -3.448 459 HB1 ALA 58 1HB ALA 58 2.992 4.538 -2.152 460 HB2 ALA 58 2HB ALA 58 3.402 3.525 -3.539 461 HB3 ALA 58 3HB ALA 58 1.834 3.351 -2.757 462 H THR 59 H THR 59 2.816 5.675 -6.373 463 HA THR 59 HA THR 59 5.313 6.946 -5.651 464 HB THR 59 HB THR 59 4.064 6.810 -8.434 465 HG1 THR 59 HG1 THR 59 4.192 4.725 -8.139 466 HG21 THR 59 1HG2 THR 59 6.074 8.251 -8.238 467 HG22 THR 59 2HG2 THR 59 6.402 6.816 -9.212 468 HG23 THR 59 3HG2 THR 59 6.974 6.897 -7.546 469 H GLU 60 H GLU 60 2.243 7.938 -7.078 470 HA GLU 60 HA GLU 60 2.821 10.816 -6.607 471 HB2 GLU 60 2HB GLU 60 0.881 9.532 -8.599 472 HB3 GLU 60 1HB GLU 60 1.175 11.263 -8.418 473 HG2 GLU 60 2HG GLU 60 3.467 10.998 -9.219 474 HG3 GLU 60 1HG GLU 60 3.284 9.245 -9.274 475 H ASN 61 H ASN 61 0.713 8.100 -6.068 476 HA ASN 61 HA ASN 61 -1.726 9.391 -5.417 477 HB2 ASN 61 2HB ASN 61 -1.143 6.897 -6.072 478 HB3 ASN 61 1HB ASN 61 -0.946 6.655 -4.352 479 HD21 ASN 61 1HD2 ASN 61 -3.255 8.448 -3.685 480 HD22 ASN 61 2HD2 ASN 61 -4.650 7.571 -4.141 481 H PHE 62 H PHE 62 1.081 8.506 -3.492 482 HA PHE 62 HA PHE 62 0.119 8.240 -0.929 483 HB2 PHE 62 2HB PHE 62 2.394 8.610 -0.167 484 HB3 PHE 62 1HB PHE 62 2.487 7.794 -1.723 485 HD1 PHE 62 HD1 PHE 62 2.940 9.281 -3.830 486 HD2 PHE 62 HD2 PHE 62 3.536 10.671 0.160 487 HE1 PHE 62 HE1 PHE 62 4.327 11.129 -4.667 488 HE2 PHE 62 HE2 PHE 62 4.921 12.497 -0.684 489 HZ PHE 62 HZ PHE 62 5.315 12.746 -3.100 490 H GLU 63 H GLU 63 0.882 11.242 -2.616 491 HA GLU 63 HA GLU 63 0.451 12.958 -0.296 492 HB2 GLU 63 2HB GLU 63 2.304 13.461 -1.819 493 HB3 GLU 63 1HB GLU 63 1.204 13.547 -3.193 494 HG2 GLU 63 2HG GLU 63 0.096 15.527 -2.094 495 HG3 GLU 63 1HG GLU 63 1.334 15.465 -0.835 496 H ASP 64 H ASP 64 -1.027 12.163 -3.399 497 HA ASP 64 HA ASP 64 -2.989 14.092 -3.685 498 HB2 ASP 64 2HB ASP 64 -2.519 12.585 -5.505 499 HB3 ASP 64 1HB ASP 64 -2.903 11.168 -4.526 500 H VAL 65 H VAL 65 -3.285 10.959 -2.063 501 HA VAL 65 HA VAL 65 -5.897 11.674 -0.897 502 HB VAL 65 HB VAL 65 -5.982 9.303 -0.153 503 HG11 VAL 65 1HG1 VAL 65 -6.924 9.910 -2.330 504 HG12 VAL 65 2HG1 VAL 65 -6.231 8.288 -2.400 505 HG13 VAL 65 3HG1 VAL 65 -5.360 9.653 -3.109 506 HG21 VAL 65 1HG2 VAL 65 -3.561 8.862 0.155 507 HG22 VAL 65 2HG2 VAL 65 -3.306 8.980 -1.587 508 HG23 VAL 65 3HG2 VAL 65 -4.284 7.668 -0.928 509 H GLY 66 H GLY 66 -2.550 11.423 -0.055 510 HA2 GLY 66 2HA GLY 66 -3.041 11.359 2.840 511 HA3 GLY 66 1HA GLY 66 -1.492 11.213 2.018 512 H PHE 67 H PHE 67 -0.270 12.816 2.824 513 HA PHE 67 HA PHE 67 -1.537 15.273 3.787 514 HB2 PHE 67 2HB PHE 67 1.391 14.744 4.281 515 HB3 PHE 67 1HB PHE 67 0.188 15.434 5.357 516 HD1 PHE 67 HD1 PHE 67 -1.736 12.845 5.036 517 HD2 PHE 67 HD2 PHE 67 2.376 13.430 6.050 518 HE1 PHE 67 HE1 PHE 67 -1.744 10.747 6.299 519 HE2 PHE 67 HE2 PHE 67 2.333 11.331 7.310 520 HZ PHE 67 HZ PHE 67 0.290 9.989 7.431 521 H SER 68 H SER 68 0.771 16.961 3.713 522 HA SER 68 HA SER 68 0.891 17.941 1.033 523 HB2 SER 68 2HB SER 68 2.614 18.582 3.472 524 HB3 SER 68 1HB SER 68 2.492 19.570 2.015 525 HG SER 68 HG SER 68 0.106 19.513 2.580 526 H THR 69 H THR 69 3.708 18.588 0.779 527 HA THR 69 HA THR 69 4.833 16.397 -0.536 528 HB THR 69 HB THR 69 7.081 17.660 -0.219 529 HG1 THR 69 HG1 THR 69 6.855 18.873 1.550 530 HG21 THR 69 1HG2 THR 69 6.448 19.493 -1.735 531 HG22 THR 69 2HG2 THR 69 4.743 19.248 -1.356 532 HG23 THR 69 3HG2 THR 69 5.643 17.997 -2.215 533 H ASP 70 H ASP 70 4.842 17.189 2.859 534 HA ASP 70 HA ASP 70 6.945 15.699 3.883 535 HB2 ASP 70 2HB ASP 70 4.221 16.331 5.105 536 HB3 ASP 70 1HB ASP 70 5.564 15.649 6.021 537 H ALA 71 H ALA 71 3.859 14.571 2.689 538 HA ALA 71 HA ALA 71 3.542 12.121 3.988 539 HB1 ALA 71 1HB ALA 71 2.697 12.852 1.155 540 HB2 ALA 71 2HB ALA 71 1.776 13.185 2.625 541 HB3 ALA 71 3HB ALA 71 2.050 11.517 2.115 542 H ARG 72 H ARG 72 5.834 12.990 1.510 543 HA ARG 72 HA ARG 72 6.390 10.544 0.273 544 HB2 ARG 72 2HB ARG 72 8.561 11.518 -0.369 545 HB3 ARG 72 1HB ARG 72 7.285 12.721 -0.533 546 HG2 ARG 72 2HG ARG 72 7.980 13.615 1.742 547 HG3 ARG 72 1HG ARG 72 9.378 12.544 1.659 548 HD2 ARG 72 2HD ARG 72 10.287 13.741 -0.204 549 HD3 ARG 72 1HD ARG 72 8.774 14.623 -0.467 550 HE ARG 72 HE ARG 72 10.257 14.967 2.059 551 HH11 ARG 72 1HH1 ARG 72 9.069 16.402 -0.926 552 HH12 ARG 72 2HH1 ARG 72 9.402 18.025 -0.413 553 HH21 ARG 72 1HH2 ARG 72 10.640 17.103 2.733 554 HH22 ARG 72 2HH2 ARG 72 10.290 18.424 1.659 555 H GLU 73 H GLU 73 7.543 11.852 3.346 556 HA GLU 73 HA GLU 73 9.546 9.820 3.737 557 HB2 GLU 73 2HB GLU 73 8.426 11.880 5.692 558 HB3 GLU 73 1HB GLU 73 9.875 10.898 5.939 559 HG2 GLU 73 2HG GLU 73 10.853 11.977 3.864 560 HG3 GLU 73 1HG GLU 73 9.468 13.068 3.846 561 H LEU 74 H LEU 74 6.364 10.613 5.137 562 HA LEU 74 HA LEU 74 6.352 8.611 7.118 563 HB2 LEU 74 2HB LEU 74 4.068 10.176 5.874 564 HB3 LEU 74 1HB LEU 74 3.829 9.049 7.194 565 HG LEU 74 HG LEU 74 3.855 11.265 8.116 566 HD11 LEU 74 1HD1 LEU 74 5.659 11.189 9.747 567 HD12 LEU 74 2HD1 LEU 74 6.486 9.950 8.798 568 HD13 LEU 74 3HD1 LEU 74 4.909 9.611 9.519 569 HD21 LEU 74 1HD2 LEU 74 6.547 11.766 6.823 570 HD22 LEU 74 2HD2 LEU 74 5.692 12.863 7.913 571 HD23 LEU 74 3HD2 LEU 74 5.004 12.475 6.338 572 H SER 75 H SER 75 5.021 8.617 3.795 573 HA SER 75 HA SER 75 3.661 6.142 3.897 574 HB2 SER 75 2HB SER 75 3.799 6.205 1.398 575 HB3 SER 75 1HB SER 75 3.281 7.748 2.082 576 HG SER 75 HG SER 75 4.981 8.640 1.241 577 H LYS 76 H LYS 76 6.992 6.955 2.992 578 HA LYS 76 HA LYS 76 7.803 4.295 2.312 579 HB2 LYS 76 2HB LYS 76 9.503 6.729 2.995 580 HB3 LYS 76 1HB LYS 76 10.107 5.246 2.262 581 HG2 LYS 76 2HG LYS 76 8.063 7.108 0.996 582 HG3 LYS 76 1HG LYS 76 9.794 7.122 0.644 583 HD2 LYS 76 2HD LYS 76 7.933 4.760 0.148 584 HD3 LYS 76 1HD LYS 76 8.417 5.946 -1.069 585 HE2 LYS 76 2HE LYS 76 10.265 4.043 0.413 586 HE3 LYS 76 1HE LYS 76 9.778 3.934 -1.280 587 HZ1 LYS 76 1HZ LYS 76 11.391 6.124 -0.073 588 HZ2 LYS 76 2HZ LYS 76 10.903 6.043 -1.689 589 HZ3 LYS 76 3HZ LYS 76 11.971 4.890 -1.075 590 H LYS 77 H LYS 77 7.719 6.108 5.345 591 HA LYS 77 HA LYS 77 9.450 4.389 6.849 592 HB2 LYS 77 2HB LYS 77 7.255 6.267 7.834 593 HB3 LYS 77 1HB LYS 77 8.411 5.441 8.881 594 HG2 LYS 77 2HG LYS 77 10.261 6.644 7.670 595 HG3 LYS 77 1HG LYS 77 9.036 7.546 6.789 596 HD2 LYS 77 2HD LYS 77 9.794 8.942 8.596 597 HD3 LYS 77 1HD LYS 77 8.158 8.409 8.992 598 HE2 LYS 77 2HE LYS 77 9.059 6.729 10.541 599 HE3 LYS 77 1HE LYS 77 10.708 7.159 10.082 600 HZ1 LYS 77 1HZ LYS 77 8.768 8.961 11.430 601 HZ2 LYS 77 2HZ LYS 77 10.349 9.369 10.989 602 HZ3 LYS 77 3HZ LYS 77 10.079 8.189 12.165 603 H TYR 78 H TYR 78 6.114 4.220 5.881 604 HA TYR 78 HA TYR 78 5.475 1.973 7.629 605 HB2 TYR 78 2HB TYR 78 3.873 3.368 5.449 606 HB3 TYR 78 1HB TYR 78 3.251 2.050 6.438 607 HD1 TYR 78 HD1 TYR 78 4.389 2.858 9.130 608 HD2 TYR 78 HD2 TYR 78 2.438 5.170 6.108 609 HE1 TYR 78 HE1 TYR 78 3.640 4.462 10.835 610 HE2 TYR 78 HE2 TYR 78 1.689 6.767 7.812 611 HH TYR 78 HH TYR 78 1.318 6.936 10.171 612 H ILE 79 H ILE 79 7.643 1.746 5.551 613 HA ILE 79 HA ILE 79 6.817 0.058 3.443 614 HB ILE 79 HB ILE 79 8.941 1.251 3.338 615 HG12 ILE 79 2HG1 ILE 79 9.399 -1.765 3.341 616 HG13 ILE 79 1HG1 ILE 79 8.802 -0.799 1.994 617 HG21 ILE 79 1HG2 ILE 79 9.967 -0.467 5.626 618 HG22 ILE 79 2HG2 ILE 79 9.558 1.248 5.719 619 HG23 ILE 79 3HG2 ILE 79 10.906 0.720 4.712 620 HD11 ILE 79 1HD1 ILE 79 11.119 -1.373 1.678 621 HD12 ILE 79 2HD1 ILE 79 11.557 -0.640 3.219 622 HD13 ILE 79 3HD1 ILE 79 10.960 0.367 1.895 623 H ILE 80 H ILE 80 5.565 -1.643 4.033 624 HA ILE 80 HA ILE 80 6.136 -3.186 6.447 625 HB ILE 80 HB ILE 80 3.822 -2.408 6.027 626 HG12 ILE 80 2HG1 ILE 80 4.033 -5.459 6.028 627 HG13 ILE 80 1HG1 ILE 80 4.237 -4.423 7.436 628 HG21 ILE 80 1HG2 ILE 80 3.764 -4.306 3.657 629 HG22 ILE 80 2HG2 ILE 80 3.741 -2.542 3.582 630 HG23 ILE 80 3HG2 ILE 80 2.386 -3.408 4.305 631 HD11 ILE 80 1HD1 ILE 80 1.910 -3.688 7.228 632 HD12 ILE 80 2HD1 ILE 80 2.052 -5.433 7.432 633 HD13 ILE 80 3HD1 ILE 80 1.701 -4.762 5.840 634 H GLY 81 H GLY 81 6.340 -3.499 2.989 635 HA2 GLY 81 2HA GLY 81 8.169 -5.632 3.079 636 HA3 GLY 81 1HA GLY 81 6.569 -6.294 2.742 637 H GLU 82 H GLU 82 7.407 -6.999 0.734 638 HA GLU 82 HA GLU 82 7.391 -4.876 -1.334 639 HB2 GLU 82 2HB GLU 82 8.649 -6.330 -2.807 640 HB3 GLU 82 1HB GLU 82 9.526 -6.171 -1.290 641 HG2 GLU 82 2HG GLU 82 8.920 -8.389 -0.595 642 HG3 GLU 82 1HG GLU 82 7.762 -8.554 -1.916 643 H LEU 83 H LEU 83 5.911 -5.081 -2.958 644 HA LEU 83 HA LEU 83 3.868 -7.127 -2.898 645 HB2 LEU 83 2HB LEU 83 3.747 -4.578 -3.722 646 HB3 LEU 83 1HB LEU 83 4.277 -5.252 -5.249 647 HG LEU 83 HG LEU 83 1.809 -4.906 -5.117 648 HD11 LEU 83 1HD1 LEU 83 1.036 -7.019 -5.988 649 HD12 LEU 83 2HD1 LEU 83 2.471 -7.837 -5.364 650 HD13 LEU 83 3HD1 LEU 83 2.627 -6.627 -6.638 651 HD21 LEU 83 1HD2 LEU 83 1.865 -6.983 -2.914 652 HD22 LEU 83 2HD2 LEU 83 0.414 -6.350 -3.694 653 HD23 LEU 83 3HD2 LEU 83 1.448 -5.272 -2.755 654 H HIS 84 H HIS 84 3.670 -8.794 -4.453 655 HA HIS 84 HA HIS 84 6.026 -9.974 -5.483 656 HB2 HIS 84 2HB HIS 84 3.085 -10.535 -6.019 657 HB3 HIS 84 1HB HIS 84 4.387 -11.526 -6.678 658 HD1 HIS 84 HD1 HIS 84 2.343 -12.797 -4.889 659 HD2 HIS 84 HD2 HIS 84 5.893 -11.198 -3.474 660 HE1 HIS 84 HE1 HIS 84 2.816 -13.998 -2.749 661 HE2 HIS 84 HE2 HIS 84 5.085 -13.192 -2.055 662 HA PRO 85 HA PRO 85 6.487 -7.737 -9.400 663 HB2 PRO 85 2HB PRO 85 7.875 -9.701 -10.815 664 HB3 PRO 85 1HB PRO 85 8.623 -8.631 -9.612 665 HG2 PRO 85 2HG PRO 85 7.608 -11.442 -9.244 666 HG3 PRO 85 1HG PRO 85 9.147 -10.725 -8.706 667 HD2 PRO 85 2HD PRO 85 7.131 -11.004 -6.973 668 HD3 PRO 85 1HD PRO 85 8.132 -9.530 -6.942 669 H ASP 86 H ASP 86 5.043 -10.897 -9.121 670 HA ASP 86 HA ASP 86 3.914 -11.202 -11.715 671 HB2 ASP 86 2HB ASP 86 4.233 -13.143 -10.267 672 HB3 ASP 86 1HB ASP 86 3.243 -12.432 -9.003 673 H ASP 87 H ASP 87 2.599 -10.240 -8.566 674 HA ASP 87 HA ASP 87 -0.080 -9.921 -9.516 675 HB2 ASP 87 2HB ASP 87 1.289 -9.337 -6.874 676 HB3 ASP 87 1HB ASP 87 -0.423 -9.004 -7.126 677 H ARG 88 H ARG 88 2.584 -7.666 -8.909 678 HA ARG 88 HA ARG 88 0.944 -5.309 -9.023 679 HB2 ARG 88 2HB ARG 88 2.982 -4.021 -8.943 680 HB3 ARG 88 1HB ARG 88 3.143 -5.367 -7.839 681 HG2 ARG 88 2HG ARG 88 5.251 -5.368 -8.786 682 HG3 ARG 88 1HG ARG 88 4.437 -6.507 -9.862 683 HD2 ARG 88 2HD ARG 88 4.113 -4.728 -11.525 684 HD3 ARG 88 1HD ARG 88 4.814 -3.539 -10.424 685 HE ARG 88 HE ARG 88 6.639 -5.656 -10.936 686 HH11 ARG 88 1HH1 ARG 88 5.253 -2.793 -12.457 687 HH12 ARG 88 2HH1 ARG 88 6.629 -2.524 -13.471 688 HH21 ARG 88 1HH2 ARG 88 8.455 -5.251 -12.260 689 HH22 ARG 88 2HH2 ARG 88 8.438 -3.913 -13.362 690 H SER 89 H SER 89 2.408 -7.368 -11.365 691 HA SER 89 HA SER 89 2.103 -5.517 -13.616 692 HB2 SER 89 2HB SER 89 4.107 -6.973 -13.484 693 HB3 SER 89 1HB SER 89 3.081 -8.403 -13.477 694 HG SER 89 HG SER 89 2.383 -7.836 -15.580 695 H LYS 90 H LYS 90 0.527 -8.219 -12.099 696 HA LYS 90 HA LYS 90 -1.138 -9.058 -14.316 697 HB2 LYS 90 2HB LYS 90 -0.215 -10.592 -12.574 698 HB3 LYS 90 1HB LYS 90 -1.152 -9.757 -11.342 699 HG2 LYS 90 2HG LYS 90 -3.240 -10.561 -12.395 700 HG3 LYS 90 1HG LYS 90 -2.289 -11.390 -13.635 701 HD2 LYS 90 2HD LYS 90 -2.977 -12.980 -11.877 702 HD3 LYS 90 1HD LYS 90 -1.221 -12.798 -11.898 703 HE2 LYS 90 2HE LYS 90 -1.469 -11.137 -9.981 704 HE3 LYS 90 1HE LYS 90 -3.177 -11.582 -9.909 705 HZ1 LYS 90 1HZ LYS 90 -2.488 -13.865 -9.453 706 HZ2 LYS 90 2HZ LYS 90 -1.883 -12.801 -8.292 707 HZ3 LYS 90 3HZ LYS 90 -0.864 -13.403 -9.501 708 H ILE 91 H ILE 91 -1.746 -7.716 -11.086 709 HA ILE 91 HA ILE 91 -4.345 -6.594 -11.845 710 HB ILE 91 HB ILE 91 -3.083 -6.475 -9.064 711 HG12 ILE 91 2HG1 ILE 91 -4.572 -8.865 -10.261 712 HG13 ILE 91 1HG1 ILE 91 -2.882 -8.824 -9.791 713 HG21 ILE 91 1HG2 ILE 91 -5.997 -6.630 -9.937 714 HG22 ILE 91 2HG2 ILE 91 -5.160 -5.182 -9.378 715 HG23 ILE 91 3HG2 ILE 91 -5.426 -6.526 -8.268 716 HD11 ILE 91 1HD1 ILE 91 -5.238 -8.634 -7.922 717 HD12 ILE 91 2HD1 ILE 91 -3.538 -8.559 -7.450 718 HD13 ILE 91 3HD1 ILE 91 -4.189 -10.029 -8.174 719 H ALA 92 H ALA 92 -1.644 -5.562 -12.771 720 HA ALA 92 HA ALA 92 -0.996 -3.023 -11.852 721 HB1 ALA 92 1HB ALA 92 -0.197 -2.570 -14.144 722 HB2 ALA 92 2HB ALA 92 -1.102 -3.961 -14.747 723 HB3 ALA 92 3HB ALA 92 0.247 -4.199 -13.633 724 H LYS 93 H LYS 93 -3.723 -4.091 -13.713 725 HA LYS 93 HA LYS 93 -5.020 -1.433 -13.627 726 HB2 LYS 93 2HB LYS 93 -5.840 -3.955 -15.159 727 HB3 LYS 93 1HB LYS 93 -6.550 -2.348 -15.317 728 HG2 LYS 93 2HG LYS 93 -4.489 -1.496 -16.320 729 HG3 LYS 93 1HG LYS 93 -3.684 -3.048 -16.065 730 HD2 LYS 93 2HD LYS 93 -6.103 -2.595 -17.867 731 HD3 LYS 93 1HD LYS 93 -4.431 -2.711 -18.423 732 HE2 LYS 93 2HE LYS 93 -4.313 -5.037 -17.589 733 HE3 LYS 93 1HE LYS 93 -5.974 -4.918 -17.007 734 HZ1 LYS 93 1HZ LYS 93 -5.971 -6.030 -19.095 735 HZ2 LYS 93 2HZ LYS 93 -5.065 -4.807 -19.829 736 HZ3 LYS 93 3HZ LYS 93 -6.650 -4.502 -19.333 737 HA PRO 94 HA PRO 94 -6.939 -3.925 -10.168 738 HB2 PRO 94 2HB PRO 94 -7.249 -1.366 -8.714 739 HB3 PRO 94 1HB PRO 94 -6.331 -2.808 -8.239 740 HG2 PRO 94 2HG PRO 94 -5.105 -0.501 -8.927 741 HG3 PRO 94 1HG PRO 94 -4.384 -2.092 -9.265 742 HD2 PRO 94 2HD PRO 94 -5.917 -0.286 -11.159 743 HD3 PRO 94 1HD PRO 94 -4.390 -1.160 -11.433 744 H SER 95 H SER 95 -9.112 -4.021 -9.477 745 HA SER 95 HA SER 95 -10.799 -3.693 -11.675 746 HB2 SER 95 2HB SER 95 -10.946 -5.617 -10.188 747 HB3 SER 95 1HB SER 95 -11.387 -4.588 -8.824 748 HG SER 95 HG SER 95 -13.362 -4.514 -9.524 749 H GLU 96 H GLU 96 -10.773 -1.985 -8.547 750 HA GLU 96 HA GLU 96 -13.017 -0.267 -9.443 751 HB2 GLU 96 2HB GLU 96 -13.250 0.350 -7.032 752 HB3 GLU 96 1HB GLU 96 -13.529 -1.353 -7.368 753 HG2 GLU 96 2HG GLU 96 -11.418 -1.985 -6.417 754 HG3 GLU 96 1HG GLU 96 -10.887 -0.300 -6.321 755 H THR 97 H THR 97 -9.674 -0.183 -9.249 756 HA THR 97 HA THR 97 -9.417 2.572 -8.339 757 HB THR 97 HB THR 97 -7.325 0.590 -9.299 758 HG1 THR 97 HG1 THR 97 -8.371 1.278 -6.770 759 HG21 THR 97 1HG2 THR 97 -6.951 3.284 -7.941 760 HG22 THR 97 2HG2 THR 97 -6.512 2.899 -9.605 761 HG23 THR 97 3HG2 THR 97 -5.665 2.121 -8.270 762 H LEU 98 H LEU 98 -8.479 0.752 -11.301 763 HA LEU 98 HA LEU 98 -7.688 3.073 -12.749 764 HB2 LEU 98 2HB LEU 98 -6.787 0.775 -13.164 765 HB3 LEU 98 1HB LEU 98 -8.348 0.300 -13.814 766 HG LEU 98 HG LEU 98 -8.053 2.125 -15.593 767 HD11 LEU 98 1HD1 LEU 98 -6.374 3.486 -14.490 768 HD12 LEU 98 2HD1 LEU 98 -5.789 2.936 -16.056 769 HD13 LEU 98 3HD1 LEU 98 -5.201 2.169 -14.577 770 HD21 LEU 98 1HD2 LEU 98 -7.718 -0.250 -16.102 771 HD22 LEU 98 2HD2 LEU 98 -6.019 -0.119 -15.638 772 HD23 LEU 98 3HD2 LEU 98 -6.631 0.780 -17.030 Start of MODEL 4 1 H1 ALA 1 1H ALA 1 16.189 -18.968 12.086 2 H2 ALA 1 2H ALA 1 16.328 -20.654 12.117 3 H3 ALA 1 3H ALA 1 14.872 -19.918 12.565 4 HA ALA 1 HA ALA 1 16.087 -19.861 9.863 5 HB1 ALA 1 1HB ALA 1 14.208 -21.301 9.180 6 HB2 ALA 1 2HB ALA 1 13.617 -21.345 10.843 7 HB3 ALA 1 3HB ALA 1 15.168 -22.081 10.438 8 H GLU 2 H GLU 2 15.827 -17.718 9.438 9 HA GLU 2 HA GLU 2 13.514 -16.213 10.354 10 HB2 GLU 2 2HB GLU 2 16.040 -15.330 8.871 11 HB3 GLU 2 1HB GLU 2 14.746 -14.237 9.353 12 HG2 GLU 2 2HG GLU 2 16.496 -14.023 10.969 13 HG3 GLU 2 1HG GLU 2 15.164 -14.871 11.743 14 H GLN 3 H GLN 3 11.721 -16.455 9.164 15 HA GLN 3 HA GLN 3 11.534 -16.754 6.343 16 HB2 GLN 3 2HB GLN 3 9.642 -17.282 7.849 17 HB3 GLN 3 1HB GLN 3 9.538 -15.601 8.354 18 HG2 GLN 3 2HG GLN 3 7.741 -16.132 6.791 19 HG3 GLN 3 1HG GLN 3 8.836 -14.957 6.062 20 HE21 GLN 3 1HE2 GLN 3 8.230 -15.494 3.954 21 HE22 GLN 3 2HE2 GLN 3 8.654 -16.988 3.207 22 H SER 4 H SER 4 11.361 -15.188 4.738 23 HA SER 4 HA SER 4 12.821 -12.848 4.901 24 HB2 SER 4 2HB SER 4 11.711 -12.258 2.699 25 HB3 SER 4 1HB SER 4 12.403 -13.883 2.771 26 HG SER 4 HG SER 4 9.658 -13.192 3.113 27 H ASP 5 H ASP 5 9.403 -13.319 5.477 28 HA ASP 5 HA ASP 5 8.519 -10.631 5.308 29 HB2 ASP 5 2HB ASP 5 7.293 -13.069 6.655 30 HB3 ASP 5 1HB ASP 5 6.445 -11.549 6.383 31 H LYS 6 H LYS 6 10.395 -12.077 7.722 32 HA LYS 6 HA LYS 6 9.630 -10.583 10.015 33 HB2 LYS 6 2HB LYS 6 11.197 -12.554 10.016 34 HB3 LYS 6 1HB LYS 6 12.420 -11.555 9.242 35 HG2 LYS 6 2HG LYS 6 12.307 -10.021 11.275 36 HG3 LYS 6 1HG LYS 6 11.266 -11.229 12.029 37 HD2 LYS 6 2HD LYS 6 13.332 -11.861 12.887 38 HD3 LYS 6 1HD LYS 6 13.260 -12.892 11.459 39 HE2 LYS 6 2HE LYS 6 14.733 -10.241 11.678 40 HE3 LYS 6 1HE LYS 6 15.472 -11.835 11.720 41 HZ1 LYS 6 1HZ LYS 6 14.090 -10.598 9.403 42 HZ2 LYS 6 2HZ LYS 6 14.691 -12.173 9.426 43 HZ3 LYS 6 3HZ LYS 6 15.749 -10.865 9.568 44 H ASP 7 H ASP 7 11.945 -10.010 7.399 45 HA ASP 7 HA ASP 7 12.482 -7.250 8.230 46 HB2 ASP 7 2HB ASP 7 14.361 -8.788 7.522 47 HB3 ASP 7 1HB ASP 7 13.668 -8.848 5.905 48 H VAL 8 H VAL 8 11.453 -8.982 5.276 49 HA VAL 8 HA VAL 8 9.923 -6.626 4.366 50 HB VAL 8 HB VAL 8 12.033 -6.631 3.148 51 HG11 VAL 8 1HG1 VAL 8 11.459 -9.470 2.253 52 HG12 VAL 8 2HG1 VAL 8 12.693 -8.981 3.415 53 HG13 VAL 8 3HG1 VAL 8 12.818 -8.468 1.730 54 HG21 VAL 8 1HG2 VAL 8 10.058 -5.945 1.871 55 HG22 VAL 8 2HG2 VAL 8 9.797 -7.607 1.338 56 HG23 VAL 8 3HG2 VAL 8 11.235 -6.729 0.814 57 H LYS 9 H LYS 9 7.833 -7.187 4.249 58 HA LYS 9 HA LYS 9 6.970 -9.956 4.128 59 HB2 LYS 9 2HB LYS 9 5.444 -7.349 4.483 60 HB3 LYS 9 1HB LYS 9 4.651 -8.924 4.431 61 HG2 LYS 9 2HG LYS 9 5.819 -9.658 6.413 62 HG3 LYS 9 1HG LYS 9 6.815 -8.202 6.427 63 HD2 LYS 9 2HD LYS 9 4.829 -6.824 6.914 64 HD3 LYS 9 1HD LYS 9 3.800 -8.261 6.841 65 HE2 LYS 9 2HE LYS 9 4.337 -7.622 9.182 66 HE3 LYS 9 1HE LYS 9 4.962 -9.224 8.780 67 HZ1 LYS 9 1HZ LYS 9 7.152 -8.323 8.536 68 HZ2 LYS 9 2HZ LYS 9 6.539 -7.798 10.020 69 HZ3 LYS 9 3HZ LYS 9 6.596 -6.736 8.711 70 H TYR 10 H TYR 10 6.352 -11.007 2.393 71 HA TYR 10 HA TYR 10 6.166 -9.747 -0.216 72 HB2 TYR 10 2HB TYR 10 6.123 -12.638 0.752 73 HB3 TYR 10 1HB TYR 10 5.798 -12.215 -0.925 74 HD1 TYR 10 HD1 TYR 10 7.608 -12.455 -2.375 75 HD2 TYR 10 HD2 TYR 10 8.403 -11.370 1.683 76 HE1 TYR 10 HE1 TYR 10 10.014 -12.450 -2.850 77 HE2 TYR 10 HE2 TYR 10 10.809 -11.370 1.202 78 HH TYR 10 HH TYR 10 12.068 -11.368 -1.888 79 H TYR 11 H TYR 11 4.321 -8.637 -0.363 80 HA TYR 11 HA TYR 11 1.718 -9.742 0.355 81 HB2 TYR 11 2HB TYR 11 2.797 -7.019 -0.411 82 HB3 TYR 11 1HB TYR 11 1.095 -7.335 -0.724 83 HD1 TYR 11 HD1 TYR 11 -0.420 -6.812 0.941 84 HD2 TYR 11 HD2 TYR 11 3.603 -7.711 2.096 85 HE1 TYR 11 HE1 TYR 11 -0.984 -6.351 3.269 86 HE2 TYR 11 HE2 TYR 11 3.022 -7.243 4.440 87 HH TYR 11 HH TYR 11 -0.264 -6.816 5.458 88 H THR 12 H THR 12 0.091 -10.170 -1.084 89 HA THR 12 HA THR 12 0.679 -10.106 -3.981 90 HB THR 12 HB THR 12 -1.495 -11.302 -4.261 91 HG1 THR 12 HG1 THR 12 -2.829 -11.666 -2.613 92 HG21 THR 12 1HG2 THR 12 0.508 -12.692 -3.957 93 HG22 THR 12 2HG2 THR 12 -0.908 -13.465 -3.235 94 HG23 THR 12 3HG2 THR 12 0.280 -12.658 -2.208 95 H LEU 13 H LEU 13 -0.488 -8.768 -5.317 96 HA LEU 13 HA LEU 13 -1.708 -6.415 -4.273 97 HB2 LEU 13 2HB LEU 13 -0.420 -6.647 -6.480 98 HB3 LEU 13 1HB LEU 13 -1.858 -7.395 -7.152 99 HG LEU 13 HG LEU 13 -3.132 -5.312 -6.881 100 HD11 LEU 13 1HD1 LEU 13 -0.649 -4.185 -5.536 101 HD12 LEU 13 2HD1 LEU 13 -2.198 -4.528 -4.759 102 HD13 LEU 13 3HD1 LEU 13 -2.087 -3.260 -5.976 103 HD21 LEU 13 1HD2 LEU 13 -0.403 -4.741 -8.092 104 HD22 LEU 13 2HD2 LEU 13 -1.890 -3.844 -8.414 105 HD23 LEU 13 3HD2 LEU 13 -1.753 -5.528 -8.917 106 H GLU 14 H GLU 14 -2.780 -9.527 -5.289 107 HA GLU 14 HA GLU 14 -5.528 -9.341 -5.519 108 HB2 GLU 14 2HB GLU 14 -4.294 -11.390 -5.989 109 HB3 GLU 14 1HB GLU 14 -3.746 -11.510 -4.329 110 HG2 GLU 14 2HG GLU 14 -6.678 -11.524 -4.457 111 HG3 GLU 14 1HG GLU 14 -5.998 -12.782 -5.482 112 H GLU 15 H GLU 15 -3.579 -9.803 -2.526 113 HA GLU 15 HA GLU 15 -5.756 -9.888 -0.712 114 HB2 GLU 15 2HB GLU 15 -3.463 -10.749 -0.211 115 HB3 GLU 15 1HB GLU 15 -2.866 -9.091 -0.146 116 HG2 GLU 15 2HG GLU 15 -4.548 -8.682 1.725 117 HG3 GLU 15 1HG GLU 15 -4.850 -10.418 1.731 118 H ILE 16 H ILE 16 -3.774 -7.257 -1.936 119 HA ILE 16 HA ILE 16 -4.693 -5.216 -0.169 120 HB ILE 16 HB ILE 16 -3.380 -4.930 -2.912 121 HG12 ILE 16 2HG1 ILE 16 -2.126 -4.969 -0.118 122 HG13 ILE 16 1HG1 ILE 16 -1.961 -6.232 -1.335 123 HG21 ILE 16 1HG2 ILE 16 -2.760 -2.655 -2.150 124 HG22 ILE 16 2HG2 ILE 16 -3.653 -2.914 -0.652 125 HG23 ILE 16 3HG2 ILE 16 -4.514 -2.860 -2.190 126 HD11 ILE 16 1HD1 ILE 16 -0.903 -3.419 -1.521 127 HD12 ILE 16 2HD1 ILE 16 -0.787 -4.640 -2.792 128 HD13 ILE 16 3HD1 ILE 16 0.023 -4.894 -1.248 129 H GLN 17 H GLN 17 -5.780 -6.414 -3.325 130 HA GLN 17 HA GLN 17 -7.665 -4.329 -3.834 131 HB2 GLN 17 2HB GLN 17 -7.293 -7.100 -5.009 132 HB3 GLN 17 1HB GLN 17 -8.632 -6.073 -5.492 133 HG2 GLN 17 2HG GLN 17 -5.683 -5.478 -5.853 134 HG3 GLN 17 1HG GLN 17 -6.840 -5.897 -7.115 135 HE21 GLN 17 1HE2 GLN 17 -5.580 -3.372 -5.139 136 HE22 GLN 17 2HE2 GLN 17 -6.487 -2.075 -5.834 137 H LYS 18 H LYS 18 -7.710 -6.935 -1.633 138 HA LYS 18 HA LYS 18 -10.607 -7.140 -1.343 139 HB2 LYS 18 2HB LYS 18 -8.320 -8.186 0.384 140 HB3 LYS 18 1HB LYS 18 -10.018 -8.611 0.589 141 HG2 LYS 18 2HG LYS 18 -10.057 -9.743 -1.558 142 HG3 LYS 18 1HG LYS 18 -8.416 -9.191 -1.918 143 HD2 LYS 18 2HD LYS 18 -7.558 -10.523 0.008 144 HD3 LYS 18 1HD LYS 18 -9.198 -11.100 0.326 145 HE2 LYS 18 2HE LYS 18 -9.256 -12.283 -1.785 146 HE3 LYS 18 1HE LYS 18 -7.728 -11.557 -2.290 147 HZ1 LYS 18 1HZ LYS 18 -7.390 -13.810 -1.550 148 HZ2 LYS 18 2HZ LYS 18 -8.085 -13.474 -0.044 149 HZ3 LYS 18 3HZ LYS 18 -6.624 -12.744 -0.484 150 H HIS 19 H HIS 19 -9.638 -4.511 -1.151 151 HA HIS 19 HA HIS 19 -9.344 -3.695 1.607 152 HB2 HIS 19 2HB HIS 19 -9.301 -1.356 0.494 153 HB3 HIS 19 1HB HIS 19 -7.997 -2.461 0.098 154 HD1 HIS 19 HD1 HIS 19 -7.409 -2.337 -2.314 155 HD2 HIS 19 HD2 HIS 19 -11.469 -1.709 -1.743 156 HE1 HIS 19 HE1 HIS 19 -8.365 -1.911 -4.588 157 HE2 HIS 19 HE2 HIS 19 -10.758 -1.309 -4.164 158 H LYS 20 H LYS 20 -11.508 -4.608 2.266 159 HA LYS 20 HA LYS 20 -13.605 -2.504 1.921 160 HB2 LYS 20 2HB LYS 20 -13.937 -5.490 2.425 161 HB3 LYS 20 1HB LYS 20 -15.223 -4.340 2.765 162 HG2 LYS 20 2HG LYS 20 -15.870 -4.924 0.638 163 HG3 LYS 20 1HG LYS 20 -14.775 -3.609 0.219 164 HD2 LYS 20 2HD LYS 20 -14.281 -5.426 -1.264 165 HD3 LYS 20 1HD LYS 20 -12.954 -5.363 -0.100 166 HE2 LYS 20 2HE LYS 20 -13.794 -7.275 1.090 167 HE3 LYS 20 1HE LYS 20 -15.338 -7.223 0.233 168 HZ1 LYS 20 1HZ LYS 20 -12.706 -7.863 -0.981 169 HZ2 LYS 20 2HZ LYS 20 -14.172 -7.777 -1.807 170 HZ3 LYS 20 3HZ LYS 20 -13.939 -8.964 -0.631 171 H ASP 21 H ASP 21 -11.228 -3.085 3.829 172 HA ASP 21 HA ASP 21 -12.625 -2.357 6.339 173 HB2 ASP 21 2HB ASP 21 -10.254 -4.278 6.061 174 HB3 ASP 21 1HB ASP 21 -10.940 -3.726 7.580 175 H SER 22 H SER 22 -11.364 -0.947 7.700 176 HA SER 22 HA SER 22 -9.631 0.871 6.369 177 HB2 SER 22 2HB SER 22 -9.207 1.689 8.811 178 HB3 SER 22 1HB SER 22 -10.846 1.803 8.185 179 HG SER 22 HG SER 22 -11.106 0.840 10.104 180 H LYS 23 H LYS 23 -9.050 -1.674 8.792 181 HA LYS 23 HA LYS 23 -6.230 -1.341 8.884 182 HB2 LYS 23 2HB LYS 23 -6.100 -3.316 10.250 183 HB3 LYS 23 1HB LYS 23 -7.480 -2.373 10.766 184 HG2 LYS 23 2HG LYS 23 -7.711 -4.817 8.990 185 HG3 LYS 23 1HG LYS 23 -7.782 -4.884 10.752 186 HD2 LYS 23 2HD LYS 23 -9.755 -3.314 10.664 187 HD3 LYS 23 1HD LYS 23 -9.713 -3.436 8.901 188 HE2 LYS 23 2HE LYS 23 -11.385 -4.966 9.716 189 HE3 LYS 23 1HE LYS 23 -10.027 -5.924 9.134 190 HZ1 LYS 23 1HZ LYS 23 -9.283 -6.122 11.462 191 HZ2 LYS 23 2HZ LYS 23 -10.813 -6.795 11.208 192 HZ3 LYS 23 3HZ LYS 23 -10.667 -5.294 11.966 193 H SER 24 H SER 24 -8.276 -3.075 6.690 194 HA SER 24 HA SER 24 -5.923 -4.353 5.417 195 HB2 SER 24 2HB SER 24 -8.889 -4.802 4.862 196 HB3 SER 24 1HB SER 24 -7.548 -5.707 4.160 197 HG SER 24 HG SER 24 -7.004 -6.281 6.377 198 H THR 25 H THR 25 -5.240 -2.138 4.834 199 HA THR 25 HA THR 25 -6.120 -1.448 2.130 200 HB THR 25 HB THR 25 -6.099 0.606 4.400 201 HG1 THR 25 HG1 THR 25 -8.056 -0.582 4.202 202 HG21 THR 25 1HG2 THR 25 -6.505 1.081 1.421 203 HG22 THR 25 2HG2 THR 25 -5.101 1.592 2.360 204 HG23 THR 25 3HG2 THR 25 -6.685 2.292 2.690 205 H TRP 26 H TRP 26 -4.291 -1.325 0.960 206 HA TRP 26 HA TRP 26 -1.828 -0.121 2.032 207 HB2 TRP 26 2HB TRP 26 -1.886 -2.820 0.587 208 HB3 TRP 26 1HB TRP 26 -0.442 -1.960 1.116 209 HD1 TRP 26 HD TRP 26 0.072 -1.984 3.818 210 HE1 TRP 26 HE1 TRP 26 -0.701 -3.599 5.666 211 HE3 TRP 26 HE3 TRP 26 -3.760 -4.283 1.334 212 HZ2 TRP 26 HZ2 TRP 26 -2.669 -5.603 6.017 213 HZ3 TRP 26 HZ3 TRP 26 -5.036 -6.046 2.484 214 HH2 TRP 26 HH TRP 26 -4.501 -6.690 4.779 215 H VAL 27 H VAL 27 -0.275 0.305 0.193 216 HA VAL 27 HA VAL 27 -1.483 0.382 -2.498 217 HB VAL 27 HB VAL 27 -0.460 2.689 -2.857 218 HG11 VAL 27 1HG1 VAL 27 -2.880 2.455 -2.644 219 HG12 VAL 27 2HG1 VAL 27 -2.343 3.952 -1.880 220 HG13 VAL 27 3HG1 VAL 27 -2.767 2.558 -0.884 221 HG21 VAL 27 1HG2 VAL 27 -0.026 4.116 -0.882 222 HG22 VAL 27 2HG2 VAL 27 1.069 2.735 -0.940 223 HG23 VAL 27 3HG2 VAL 27 -0.295 2.732 0.180 224 H ILE 28 H ILE 28 0.073 0.473 -4.211 225 HA ILE 28 HA ILE 28 2.857 -0.194 -3.423 226 HB ILE 28 HB ILE 28 2.994 -1.888 -5.165 227 HG12 ILE 28 2HG1 ILE 28 0.520 -2.621 -6.138 228 HG13 ILE 28 1HG1 ILE 28 0.284 -0.883 -6.053 229 HG21 ILE 28 1HG2 ILE 28 0.575 -2.251 -3.366 230 HG22 ILE 28 2HG2 ILE 28 2.258 -2.626 -2.982 231 HG23 ILE 28 3HG2 ILE 28 1.406 -3.557 -4.207 232 HD11 ILE 28 1HD1 ILE 28 2.467 -2.296 -7.587 233 HD12 ILE 28 2HD1 ILE 28 2.186 -0.552 -7.563 234 HD13 ILE 28 3HD1 ILE 28 0.982 -1.633 -8.267 235 H LEU 29 H LEU 29 4.418 0.905 -4.494 236 HA LEU 29 HA LEU 29 3.581 3.022 -6.341 237 HB2 LEU 29 2HB LEU 29 5.575 4.113 -5.866 238 HB3 LEU 29 1HB LEU 29 5.235 3.298 -4.358 239 HG LEU 29 HG LEU 29 7.296 2.401 -6.421 240 HD11 LEU 29 1HD1 LEU 29 7.675 3.731 -3.721 241 HD12 LEU 29 2HD1 LEU 29 7.997 4.451 -5.302 242 HD13 LEU 29 3HD1 LEU 29 8.964 3.089 -4.743 243 HD21 LEU 29 1HD2 LEU 29 6.666 1.262 -3.683 244 HD22 LEU 29 2HD2 LEU 29 8.052 0.813 -4.676 245 HD23 LEU 29 3HD2 LEU 29 6.418 0.467 -5.237 246 H HIS 30 H HIS 30 5.020 -0.062 -6.426 247 HA HIS 30 HA HIS 30 4.957 -0.471 -9.170 248 HB2 HIS 30 2HB HIS 30 6.876 1.096 -9.323 249 HB3 HIS 30 1HB HIS 30 7.779 0.155 -8.136 250 HD1 HIS 30 HD1 HIS 30 9.258 -1.635 -9.071 251 HD2 HIS 30 HD2 HIS 30 6.387 -0.430 -11.813 252 HE1 HIS 30 HE1 HIS 30 9.808 -2.839 -11.192 253 HE2 HIS 30 HE2 HIS 30 8.199 -1.918 -12.881 254 H HIS 31 H HIS 31 7.462 -1.312 -6.731 255 HA HIS 31 HA HIS 31 6.633 -4.173 -6.882 256 HB2 HIS 31 2HB HIS 31 8.708 -3.895 -8.117 257 HB3 HIS 31 1HB HIS 31 9.438 -2.953 -6.825 258 HD1 HIS 31 HD1 HIS 31 10.832 -4.209 -5.190 259 HD2 HIS 31 HD2 HIS 31 8.334 -6.742 -7.332 260 HE1 HIS 31 HE1 HIS 31 11.433 -6.521 -4.452 261 HE2 HIS 31 HE2 HIS 31 9.720 -7.990 -5.541 262 H LYS 32 H LYS 32 7.119 -1.493 -4.795 263 HA LYS 32 HA LYS 32 7.366 -3.259 -2.417 264 HB2 LYS 32 2HB LYS 32 7.945 -0.277 -2.682 265 HB3 LYS 32 1HB LYS 32 7.991 -1.169 -1.170 266 HG2 LYS 32 2HG LYS 32 9.801 -1.637 -3.555 267 HG3 LYS 32 1HG LYS 32 10.238 -0.819 -2.048 268 HD2 LYS 32 2HD LYS 32 9.736 -2.939 -0.803 269 HD3 LYS 32 1HD LYS 32 9.431 -3.735 -2.351 270 HE2 LYS 32 2HE LYS 32 11.666 -4.261 -1.579 271 HE3 LYS 32 1HE LYS 32 11.776 -3.255 -3.023 272 HZ1 LYS 32 1HZ LYS 32 12.178 -1.340 -1.585 273 HZ2 LYS 32 2HZ LYS 32 13.336 -2.544 -1.356 274 HZ3 LYS 32 3HZ LYS 32 12.109 -2.333 -0.219 275 H VAL 33 H VAL 33 5.786 -3.299 -0.925 276 HA VAL 33 HA VAL 33 3.334 -1.725 -1.364 277 HB VAL 33 HB VAL 33 2.966 -4.130 -1.261 278 HG11 VAL 33 1HG1 VAL 33 3.443 -5.493 0.731 279 HG12 VAL 33 2HG1 VAL 33 4.238 -4.117 1.494 280 HG13 VAL 33 3HG1 VAL 33 4.919 -4.830 0.033 281 HG21 VAL 33 1HG2 VAL 33 1.197 -2.712 -0.321 282 HG22 VAL 33 2HG2 VAL 33 1.938 -2.807 1.278 283 HG23 VAL 33 3HG2 VAL 33 1.266 -4.258 0.528 284 H TYR 34 H TYR 34 2.625 -0.303 0.107 285 HA TYR 34 HA TYR 34 4.192 0.236 2.553 286 HB2 TYR 34 2HB TYR 34 2.556 2.180 0.845 287 HB3 TYR 34 1HB TYR 34 3.432 2.594 2.313 288 HD1 TYR 34 HD1 TYR 34 3.812 1.649 -1.257 289 HD2 TYR 34 HD2 TYR 34 5.836 2.841 2.306 290 HE1 TYR 34 HE1 TYR 34 5.846 2.093 -2.549 291 HE2 TYR 34 HE2 TYR 34 7.864 3.289 1.013 292 HH TYR 34 HH TYR 34 8.835 2.427 -1.207 293 H ASP 35 H ASP 35 2.994 0.884 4.366 294 HA ASP 35 HA ASP 35 0.436 -0.470 4.644 295 HB2 ASP 35 2HB ASP 35 2.345 -0.745 6.299 296 HB3 ASP 35 1HB ASP 35 2.146 0.946 6.747 297 H LEU 36 H LEU 36 -1.042 0.799 3.637 298 HA LEU 36 HA LEU 36 -1.039 3.703 3.878 299 HB2 LEU 36 2HB LEU 36 -1.446 2.234 1.745 300 HB3 LEU 36 1HB LEU 36 -3.068 2.024 2.359 301 HG LEU 36 HG LEU 36 -2.836 3.770 0.565 302 HD11 LEU 36 1HD1 LEU 36 -3.824 4.900 3.168 303 HD12 LEU 36 2HD1 LEU 36 -4.733 3.868 2.065 304 HD13 LEU 36 3HD1 LEU 36 -4.225 5.472 1.545 305 HD21 LEU 36 1HD2 LEU 36 -0.624 4.656 1.204 306 HD22 LEU 36 2HD2 LEU 36 -1.344 5.410 2.626 307 HD23 LEU 36 3HD2 LEU 36 -1.828 5.929 1.011 308 H THR 37 H THR 37 -2.627 0.968 5.262 309 HA THR 37 HA THR 37 -4.910 2.180 6.336 310 HB THR 37 HB THR 37 -4.860 -0.181 6.421 311 HG1 THR 37 HG1 THR 37 -5.759 0.925 8.292 312 HG21 THR 37 1HG2 THR 37 -2.367 -0.049 8.138 313 HG22 THR 37 2HG2 THR 37 -2.428 -0.562 6.448 314 HG23 THR 37 3HG2 THR 37 -3.245 -1.514 7.691 315 H LYS 38 H LYS 38 -1.523 2.261 7.448 316 HA LYS 38 HA LYS 38 -2.013 3.578 9.917 317 HB2 LYS 38 2HB LYS 38 0.185 2.552 9.299 318 HB3 LYS 38 1HB LYS 38 0.431 3.820 8.110 319 HG2 LYS 38 2HG LYS 38 1.768 4.288 10.045 320 HG3 LYS 38 1HG LYS 38 0.497 5.499 9.951 321 HD2 LYS 38 2HD LYS 38 0.098 3.068 11.716 322 HD3 LYS 38 1HD LYS 38 1.144 4.371 12.267 323 HE2 LYS 38 2HE LYS 38 -0.733 5.970 12.040 324 HE3 LYS 38 1HE LYS 38 -1.785 4.652 11.518 325 HZ1 LYS 38 1HZ LYS 38 -2.071 5.145 13.858 326 HZ2 LYS 38 2HZ LYS 38 -0.435 4.857 14.156 327 HZ3 LYS 38 3HZ LYS 38 -1.439 3.591 13.668 328 H PHE 39 H PHE 39 -1.681 4.731 6.590 329 HA PHE 39 HA PHE 39 -1.424 7.489 7.090 330 HB2 PHE 39 2HB PHE 39 -2.029 5.828 4.667 331 HB3 PHE 39 1HB PHE 39 -2.610 7.482 4.589 332 HD1 PHE 39 HD1 PHE 39 0.214 5.420 3.910 333 HD2 PHE 39 HD2 PHE 39 -0.850 9.324 5.275 334 HE1 PHE 39 HE1 PHE 39 2.428 6.268 3.242 335 HE2 PHE 39 HE2 PHE 39 1.356 10.164 4.624 336 HZ PHE 39 HZ PHE 39 3.001 8.644 3.592 337 H LEU 40 H LEU 40 -4.357 5.497 6.527 338 HA LEU 40 HA LEU 40 -6.141 7.721 6.461 339 HB2 LEU 40 2HB LEU 40 -7.959 6.109 6.455 340 HB3 LEU 40 1HB LEU 40 -6.695 5.649 5.346 341 HG LEU 40 HG LEU 40 -5.951 4.048 7.376 342 HD11 LEU 40 1HD1 LEU 40 -7.851 3.119 8.584 343 HD12 LEU 40 2HD1 LEU 40 -8.932 4.304 7.845 344 HD13 LEU 40 3HD1 LEU 40 -7.658 4.833 8.947 345 HD21 LEU 40 1HD2 LEU 40 -7.243 2.211 6.382 346 HD22 LEU 40 2HD2 LEU 40 -6.509 3.232 5.150 347 HD23 LEU 40 3HD2 LEU 40 -8.234 3.378 5.498 348 H GLU 41 H GLU 41 -5.263 5.437 9.044 349 HA GLU 41 HA GLU 41 -6.835 6.641 11.091 350 HB2 GLU 41 2HB GLU 41 -4.342 4.901 11.334 351 HB3 GLU 41 1HB GLU 41 -5.421 5.310 12.666 352 HG2 GLU 41 2HG GLU 41 -7.274 4.124 11.515 353 HG3 GLU 41 1HG GLU 41 -6.174 3.686 10.211 354 H GLU 42 H GLU 42 -4.030 7.830 9.571 355 HA GLU 42 HA GLU 42 -2.878 9.027 11.969 356 HB2 GLU 42 2HB GLU 42 -1.545 7.988 10.002 357 HB3 GLU 42 1HB GLU 42 -1.891 9.479 9.133 358 HG2 GLU 42 2HG GLU 42 0.288 9.659 10.102 359 HG3 GLU 42 1HG GLU 42 -0.780 10.744 10.993 360 H TRP 43 H TRP 43 -3.805 10.397 8.747 361 HA TRP 43 HA TRP 43 -4.397 12.956 10.145 362 HB2 TRP 43 2HB TRP 43 -3.154 12.483 7.431 363 HB3 TRP 43 1HB TRP 43 -3.987 13.991 7.766 364 HD1 TRP 43 HD TRP 43 -1.682 12.290 10.358 365 HE1 TRP 43 HE1 TRP 43 0.341 13.807 10.752 366 HE3 TRP 43 HE3 TRP 43 -2.568 15.805 6.742 367 HZ2 TRP 43 HZ2 TRP 43 1.453 16.175 9.675 368 HZ3 TRP 43 HZ3 TRP 43 -0.964 17.659 6.477 369 HH2 TRP 43 HH TRP 43 1.009 17.838 7.915 370 HA PRO 44 HA PRO 44 -7.712 13.145 6.601 371 HB2 PRO 44 2HB PRO 44 -8.455 10.784 5.300 372 HB3 PRO 44 1HB PRO 44 -7.266 11.941 4.678 373 HG2 PRO 44 2HG PRO 44 -6.796 9.383 6.160 374 HG3 PRO 44 1HG PRO 44 -5.928 10.041 4.755 375 HD2 PRO 44 2HD PRO 44 -4.905 10.216 7.237 376 HD3 PRO 44 1HD PRO 44 -4.669 11.518 6.052 377 H GLY 45 H GLY 45 -7.579 10.212 8.565 378 HA2 GLY 45 2HA GLY 45 -8.987 9.328 10.118 379 HA3 GLY 45 1HA GLY 45 -9.869 10.847 10.102 380 H GLY 46 H GLY 46 -9.491 9.103 7.133 381 HA2 GLY 46 2HA GLY 46 -12.120 7.826 7.229 382 HA3 GLY 46 1HA GLY 46 -11.916 9.160 6.098 383 H GLU 47 H GLU 47 -11.852 5.905 6.276 384 HA GLU 47 HA GLU 47 -9.613 5.277 4.640 385 HB2 GLU 47 2HB GLU 47 -10.487 3.047 4.471 386 HB3 GLU 47 1HB GLU 47 -10.746 3.595 6.115 387 HG2 GLU 47 2HG GLU 47 -12.893 3.493 3.973 388 HG3 GLU 47 1HG GLU 47 -12.622 2.251 5.185 389 H GLU 48 H GLU 48 -12.934 6.210 4.007 390 HA GLU 48 HA GLU 48 -13.577 5.219 1.591 391 HB2 GLU 48 2HB GLU 48 -14.987 7.257 1.239 392 HB3 GLU 48 1HB GLU 48 -15.138 6.540 2.839 393 HG2 GLU 48 2HG GLU 48 -13.689 8.276 3.797 394 HG3 GLU 48 1HG GLU 48 -13.452 8.982 2.198 395 H VAL 49 H VAL 49 -11.539 8.117 1.972 396 HA VAL 49 HA VAL 49 -11.534 8.933 -0.725 397 HB VAL 49 HB VAL 49 -11.019 10.481 1.091 398 HG11 VAL 49 1HG1 VAL 49 -8.430 8.963 1.556 399 HG12 VAL 49 2HG1 VAL 49 -9.838 8.928 2.619 400 HG13 VAL 49 3HG1 VAL 49 -8.952 10.436 2.389 401 HG21 VAL 49 1HG2 VAL 49 -10.085 11.006 -1.133 402 HG22 VAL 49 2HG2 VAL 49 -8.579 10.192 -0.690 403 HG23 VAL 49 3HG2 VAL 49 -9.080 11.651 0.168 404 H LEU 50 H LEU 50 -9.524 6.664 1.014 405 HA LEU 50 HA LEU 50 -7.663 6.358 -1.273 406 HB2 LEU 50 2HB LEU 50 -6.131 5.419 0.613 407 HB3 LEU 50 1HB LEU 50 -6.377 7.139 0.466 408 HG LEU 50 HG LEU 50 -8.259 6.776 2.300 409 HD11 LEU 50 1HD1 LEU 50 -6.509 4.375 2.854 410 HD12 LEU 50 2HD1 LEU 50 -8.175 4.331 2.274 411 HD13 LEU 50 3HD1 LEU 50 -7.817 4.988 3.867 412 HD21 LEU 50 1HD2 LEU 50 -5.319 6.713 3.052 413 HD22 LEU 50 2HD2 LEU 50 -6.652 7.231 4.085 414 HD23 LEU 50 3HD2 LEU 50 -6.252 8.152 2.639 415 H ARG 51 H ARG 51 -10.072 4.776 0.487 416 HA ARG 51 HA ARG 51 -9.107 2.074 0.454 417 HB2 ARG 51 2HB ARG 51 -10.784 2.931 2.098 418 HB3 ARG 51 1HB ARG 51 -11.947 3.175 0.812 419 HG2 ARG 51 2HG ARG 51 -10.875 0.399 1.347 420 HG3 ARG 51 1HG ARG 51 -12.115 1.075 2.400 421 HD2 ARG 51 2HD ARG 51 -12.376 0.738 -0.609 422 HD3 ARG 51 1HD ARG 51 -13.065 -0.340 0.605 423 HE ARG 51 HE ARG 51 -14.077 2.082 1.293 424 HH11 ARG 51 1HH1 ARG 51 -14.135 0.251 -1.732 425 HH12 ARG 51 2HH1 ARG 51 -15.652 0.925 -2.230 426 HH21 ARG 51 1HH2 ARG 51 -16.083 2.903 0.620 427 HH22 ARG 51 2HH2 ARG 51 -16.759 2.424 -0.903 428 H GLU 52 H GLU 52 -11.176 4.059 -1.573 429 HA GLU 52 HA GLU 52 -12.015 2.098 -3.435 430 HB2 GLU 52 2HB GLU 52 -12.687 4.023 -4.822 431 HB3 GLU 52 1HB GLU 52 -13.150 4.255 -3.138 432 HG2 GLU 52 2HG GLU 52 -11.231 5.763 -2.786 433 HG3 GLU 52 1HG GLU 52 -10.711 5.503 -4.451 434 H GLN 53 H GLN 53 -8.938 3.647 -3.049 435 HA GLN 53 HA GLN 53 -8.017 2.581 -5.656 436 HB2 GLN 53 2HB GLN 53 -6.568 4.618 -5.900 437 HB3 GLN 53 1HB GLN 53 -8.289 4.958 -6.017 438 HG2 GLN 53 2HG GLN 53 -8.318 5.875 -3.766 439 HG3 GLN 53 1HG GLN 53 -6.638 5.408 -3.508 440 HE21 GLN 53 1HE2 GLN 53 -5.641 6.244 -6.075 441 HE22 GLN 53 2HE2 GLN 53 -5.668 7.967 -6.091 442 H ALA 54 H ALA 54 -7.859 1.414 -3.048 443 HA ALA 54 HA ALA 54 -5.128 1.634 -2.107 444 HB1 ALA 54 1HB ALA 54 -5.743 -0.183 -0.568 445 HB2 ALA 54 2HB ALA 54 -7.272 -0.402 -1.426 446 HB3 ALA 54 3HB ALA 54 -6.962 1.096 -0.548 447 H GLY 55 H GLY 55 -3.452 0.679 -3.098 448 HA2 GLY 55 2HA GLY 55 -2.241 -1.135 -4.007 449 HA3 GLY 55 1HA GLY 55 -3.741 -1.895 -4.510 450 H GLY 56 H GLY 56 -4.158 1.232 -5.399 451 HA2 GLY 56 2HA GLY 56 -3.765 0.745 -8.191 452 HA3 GLY 56 1HA GLY 56 -4.253 2.260 -7.448 453 H ASP 57 H ASP 57 -2.380 3.304 -6.121 454 HA ASP 57 HA ASP 57 0.287 2.898 -7.254 455 HB2 ASP 57 2HB ASP 57 -0.682 4.549 -8.817 456 HB3 ASP 57 1HB ASP 57 -1.237 5.549 -7.476 457 H ALA 58 H ALA 58 1.902 4.159 -6.013 458 HA ALA 58 HA ALA 58 1.004 5.255 -3.444 459 HB1 ALA 58 1HB ALA 58 2.924 4.311 -2.274 460 HB2 ALA 58 2HB ALA 58 3.454 3.486 -3.741 461 HB3 ALA 58 3HB ALA 58 1.941 3.021 -2.964 462 H THR 59 H THR 59 3.301 5.197 -6.133 463 HA THR 59 HA THR 59 5.440 6.672 -5.315 464 HB THR 59 HB THR 59 4.139 6.902 -8.069 465 HG1 THR 59 HG1 THR 59 4.514 4.821 -7.997 466 HG21 THR 59 1HG2 THR 59 6.426 7.283 -8.911 467 HG22 THR 59 2HG2 THR 59 7.062 7.234 -7.267 468 HG23 THR 59 3HG2 THR 59 5.983 8.542 -7.754 469 H GLU 60 H GLU 60 2.440 8.029 -6.648 470 HA GLU 60 HA GLU 60 3.102 10.713 -5.566 471 HB2 GLU 60 2HB GLU 60 2.960 10.614 -8.033 472 HB3 GLU 60 1HB GLU 60 1.341 9.930 -7.938 473 HG2 GLU 60 2HG GLU 60 0.461 12.004 -7.031 474 HG3 GLU 60 1HG GLU 60 2.080 12.682 -6.883 475 H ASN 61 H ASN 61 0.987 7.999 -5.458 476 HA ASN 61 HA ASN 61 -1.482 9.249 -4.814 477 HB2 ASN 61 2HB ASN 61 -0.943 6.849 -5.720 478 HB3 ASN 61 1HB ASN 61 -0.766 6.407 -4.036 479 HD21 ASN 61 1HD2 ASN 61 -3.111 8.345 -3.398 480 HD22 ASN 61 2HD2 ASN 61 -4.486 7.426 -3.853 481 H PHE 62 H PHE 62 1.273 8.204 -2.833 482 HA PHE 62 HA PHE 62 0.020 7.865 -0.348 483 HB2 PHE 62 2HB PHE 62 2.238 8.067 0.702 484 HB3 PHE 62 1HB PHE 62 2.321 7.077 -0.740 485 HD1 PHE 62 HD1 PHE 62 4.155 7.427 -2.169 486 HD2 PHE 62 HD2 PHE 62 2.888 10.673 0.283 487 HE1 PHE 62 HE1 PHE 62 6.034 8.788 -2.980 488 HE2 PHE 62 HE2 PHE 62 4.743 12.022 -0.541 489 HZ PHE 62 HZ PHE 62 6.325 11.092 -2.169 490 H GLU 63 H GLU 63 1.027 10.778 -1.977 491 HA GLU 63 HA GLU 63 0.698 12.520 0.335 492 HB2 GLU 63 2HB GLU 63 2.515 12.967 -1.266 493 HB3 GLU 63 1HB GLU 63 1.359 13.108 -2.590 494 HG2 GLU 63 2HG GLU 63 0.380 15.112 -1.532 495 HG3 GLU 63 1HG GLU 63 1.507 14.955 -0.184 496 H ASP 64 H ASP 64 -0.827 11.837 -2.777 497 HA ASP 64 HA ASP 64 -2.837 13.719 -2.896 498 HB2 ASP 64 2HB ASP 64 -2.380 12.341 -4.809 499 HB3 ASP 64 1HB ASP 64 -2.695 10.858 -3.914 500 H VAL 65 H VAL 65 -3.022 10.489 -1.395 501 HA VAL 65 HA VAL 65 -5.661 11.056 -0.233 502 HB VAL 65 HB VAL 65 -5.699 8.720 0.452 503 HG11 VAL 65 1HG1 VAL 65 -4.773 9.028 -2.421 504 HG12 VAL 65 2HG1 VAL 65 -6.422 9.215 -1.815 505 HG13 VAL 65 3HG1 VAL 65 -5.642 7.636 -1.766 506 HG21 VAL 65 1HG2 VAL 65 -3.339 8.354 1.049 507 HG22 VAL 65 2HG2 VAL 65 -2.870 8.452 -0.647 508 HG23 VAL 65 3HG2 VAL 65 -3.883 7.120 -0.089 509 H GLY 66 H GLY 66 -2.341 10.957 0.687 510 HA2 GLY 66 2HA GLY 66 -2.817 10.521 3.537 511 HA3 GLY 66 1HA GLY 66 -1.269 10.633 2.725 512 H PHE 67 H PHE 67 -0.132 12.465 2.995 513 HA PHE 67 HA PHE 67 -1.426 14.683 4.488 514 HB2 PHE 67 2HB PHE 67 1.569 14.060 4.434 515 HB3 PHE 67 1HB PHE 67 0.707 15.087 5.569 516 HD1 PHE 67 HD1 PHE 67 -1.392 12.354 5.580 517 HD2 PHE 67 HD2 PHE 67 2.601 13.379 6.687 518 HE1 PHE 67 HE1 PHE 67 -1.364 10.501 7.165 519 HE2 PHE 67 HE2 PHE 67 2.601 11.518 8.285 520 HZ PHE 67 HZ PHE 67 0.643 10.075 8.513 521 H SER 68 H SER 68 0.542 16.608 4.226 522 HA SER 68 HA SER 68 0.593 17.448 1.450 523 HB2 SER 68 2HB SER 68 2.016 18.588 3.910 524 HB3 SER 68 1HB SER 68 1.750 19.419 2.371 525 HG SER 68 HG SER 68 -0.550 19.123 2.813 526 H THR 69 H THR 69 3.466 18.526 1.743 527 HA THR 69 HA THR 69 4.964 16.368 0.696 528 HB THR 69 HB THR 69 6.997 17.924 1.246 529 HG1 THR 69 HG1 THR 69 5.112 19.977 1.523 530 HG21 THR 69 1HG2 THR 69 4.771 19.052 -0.482 531 HG22 THR 69 2HG2 THR 69 5.926 17.823 -1.001 532 HG23 THR 69 3HG2 THR 69 6.488 19.447 -0.594 533 H ASP 70 H ASP 70 4.135 17.041 3.925 534 HA ASP 70 HA ASP 70 6.093 15.790 5.453 535 HB2 ASP 70 2HB ASP 70 3.061 15.665 5.820 536 HB3 ASP 70 1HB ASP 70 4.252 15.319 7.066 537 H ALA 71 H ALA 71 3.462 14.394 3.532 538 HA ALA 71 HA ALA 71 3.509 11.720 4.407 539 HB1 ALA 71 1HB ALA 71 2.731 12.795 1.666 540 HB2 ALA 71 2HB ALA 71 1.674 12.668 3.068 541 HB3 ALA 71 3HB ALA 71 2.299 11.205 2.318 542 H ARG 72 H ARG 72 5.770 13.418 2.453 543 HA ARG 72 HA ARG 72 6.640 11.262 0.801 544 HB2 ARG 72 2HB ARG 72 7.998 13.915 1.450 545 HB3 ARG 72 1HB ARG 72 8.477 12.810 0.159 546 HG2 ARG 72 2HG ARG 72 6.241 13.098 -0.895 547 HG3 ARG 72 1HG ARG 72 5.811 14.247 0.373 548 HD2 ARG 72 2HD ARG 72 7.597 15.756 -0.375 549 HD3 ARG 72 1HD ARG 72 8.074 14.591 -1.619 550 HE ARG 72 HE ARG 72 5.357 15.731 -1.570 551 HH11 ARG 72 1HH1 ARG 72 8.374 15.273 -3.313 552 HH12 ARG 72 2HH1 ARG 72 7.743 15.905 -4.804 553 HH21 ARG 72 1HH2 ARG 72 4.520 16.532 -3.501 554 HH22 ARG 72 2HH2 ARG 72 5.540 16.625 -4.907 555 H GLU 73 H GLU 73 7.685 12.446 3.986 556 HA GLU 73 HA GLU 73 9.927 10.569 4.034 557 HB2 GLU 73 2HB GLU 73 10.401 11.415 6.286 558 HB3 GLU 73 1HB GLU 73 10.260 12.731 5.127 559 HG2 GLU 73 2HG GLU 73 8.098 13.348 5.979 560 HG3 GLU 73 1HG GLU 73 8.026 11.920 7.005 561 H LEU 74 H LEU 74 6.674 10.895 5.403 562 HA LEU 74 HA LEU 74 6.834 8.724 7.202 563 HB2 LEU 74 2HB LEU 74 4.507 10.267 6.048 564 HB3 LEU 74 1HB LEU 74 4.195 8.788 6.936 565 HG LEU 74 HG LEU 74 3.896 10.556 8.489 566 HD11 LEU 74 1HD1 LEU 74 5.052 8.660 9.457 567 HD12 LEU 74 2HD1 LEU 74 5.536 10.157 10.239 568 HD13 LEU 74 3HD1 LEU 74 6.622 9.381 9.084 569 HD21 LEU 74 1HD2 LEU 74 6.586 11.717 7.740 570 HD22 LEU 74 2HD2 LEU 74 5.502 12.326 8.993 571 HD23 LEU 74 3HD2 LEU 74 5.008 12.371 7.304 572 H SER 75 H SER 75 5.784 8.879 3.810 573 HA SER 75 HA SER 75 4.610 6.349 3.584 574 HB2 SER 75 2HB SER 75 5.146 6.577 1.115 575 HB3 SER 75 1HB SER 75 4.309 7.961 1.816 576 HG SER 75 HG SER 75 5.929 9.151 1.249 577 H LYS 76 H LYS 76 7.966 7.372 3.032 578 HA LYS 76 HA LYS 76 8.991 4.886 2.176 579 HB2 LYS 76 2HB LYS 76 10.489 7.161 3.533 580 HB3 LYS 76 1HB LYS 76 11.213 5.882 2.566 581 HG2 LYS 76 2HG LYS 76 9.404 8.113 1.608 582 HG3 LYS 76 1HG LYS 76 11.115 7.903 1.251 583 HD2 LYS 76 2HD LYS 76 8.875 6.066 0.300 584 HD3 LYS 76 1HD LYS 76 9.673 7.303 -0.668 585 HE2 LYS 76 2HE LYS 76 11.804 6.102 -0.493 586 HE3 LYS 76 1HE LYS 76 11.042 4.878 0.526 587 HZ1 LYS 76 1HZ LYS 76 10.373 5.462 -2.310 588 HZ2 LYS 76 2HZ LYS 76 9.567 4.337 -1.338 589 HZ3 LYS 76 3HZ LYS 76 11.196 4.104 -1.728 590 H LYS 77 H LYS 77 8.397 6.187 5.361 591 HA LYS 77 HA LYS 77 9.904 4.151 6.792 592 HB2 LYS 77 2HB LYS 77 7.952 6.273 7.786 593 HB3 LYS 77 1HB LYS 77 8.944 5.241 8.817 594 HG2 LYS 77 2HG LYS 77 10.995 6.250 7.917 595 HG3 LYS 77 1HG LYS 77 10.038 7.229 6.801 596 HD2 LYS 77 2HD LYS 77 10.740 8.580 8.726 597 HD3 LYS 77 1HD LYS 77 8.986 8.399 8.707 598 HE2 LYS 77 2HE LYS 77 9.181 6.613 10.436 599 HE3 LYS 77 1HE LYS 77 10.928 6.864 10.470 600 HZ1 LYS 77 1HZ LYS 77 10.618 9.064 11.284 601 HZ2 LYS 77 2HZ LYS 77 9.692 8.035 12.252 602 HZ3 LYS 77 3HZ LYS 77 8.945 8.989 11.073 603 H TYR 78 H TYR 78 6.617 4.648 5.671 604 HA TYR 78 HA TYR 78 5.379 2.706 7.448 605 HB2 TYR 78 2HB TYR 78 4.320 4.326 5.088 606 HB3 TYR 78 1HB TYR 78 3.330 3.151 5.943 607 HD1 TYR 78 HD1 TYR 78 5.387 4.714 8.391 608 HD2 TYR 78 HD2 TYR 78 1.958 5.456 5.955 609 HE1 TYR 78 HE1 TYR 78 4.663 6.474 9.938 610 HE2 TYR 78 HE2 TYR 78 1.238 7.224 7.504 611 HH TYR 78 HH TYR 78 1.589 7.803 9.947 612 H ILE 79 H ILE 79 7.424 2.189 4.948 613 HA ILE 79 HA ILE 79 6.045 0.399 3.263 614 HB ILE 79 HB ILE 79 8.171 1.337 2.525 615 HG12 ILE 79 2HG1 ILE 79 8.332 -1.697 2.819 616 HG13 ILE 79 1HG1 ILE 79 7.469 -0.830 1.558 617 HG21 ILE 79 1HG2 ILE 79 9.367 1.486 4.671 618 HG22 ILE 79 2HG2 ILE 79 10.357 0.696 3.442 619 HG23 ILE 79 3HG2 ILE 79 9.564 -0.267 4.689 620 HD11 ILE 79 1HD1 ILE 79 10.459 -0.859 1.951 621 HD12 ILE 79 2HD1 ILE 79 9.586 0.003 0.680 622 HD13 ILE 79 3HD1 ILE 79 9.539 -1.757 0.744 623 H ILE 80 H ILE 80 5.207 -1.482 3.736 624 HA ILE 80 HA ILE 80 5.814 -2.796 6.286 625 HB ILE 80 HB ILE 80 3.476 -2.186 5.763 626 HG12 ILE 80 2HG1 ILE 80 3.664 -5.226 5.840 627 HG13 ILE 80 1HG1 ILE 80 4.088 -4.217 7.218 628 HG21 ILE 80 1HG2 ILE 80 3.613 -4.206 3.508 629 HG22 ILE 80 2HG2 ILE 80 3.488 -2.455 3.326 630 HG23 ILE 80 3HG2 ILE 80 2.159 -3.363 4.054 631 HD11 ILE 80 1HD1 ILE 80 1.848 -5.063 7.440 632 HD12 ILE 80 2HD1 ILE 80 1.383 -4.354 5.895 633 HD13 ILE 80 3HD1 ILE 80 1.816 -3.312 7.255 634 H GLY 81 H GLY 81 6.141 -3.283 2.838 635 HA2 GLY 81 2HA GLY 81 8.145 -5.242 3.107 636 HA3 GLY 81 1HA GLY 81 6.619 -6.066 2.766 637 H GLU 82 H GLU 82 7.514 -6.803 0.780 638 HA GLU 82 HA GLU 82 7.484 -4.766 -1.377 639 HB2 GLU 82 2HB GLU 82 8.806 -6.244 -2.765 640 HB3 GLU 82 1HB GLU 82 9.626 -6.091 -1.216 641 HG2 GLU 82 2HG GLU 82 8.894 -8.305 -0.532 642 HG3 GLU 82 1HG GLU 82 7.885 -8.461 -1.970 643 H LEU 83 H LEU 83 5.950 -5.001 -2.934 644 HA LEU 83 HA LEU 83 3.960 -7.079 -2.836 645 HB2 LEU 83 2HB LEU 83 3.807 -4.576 -3.712 646 HB3 LEU 83 1HB LEU 83 4.440 -5.232 -5.205 647 HG LEU 83 HG LEU 83 1.950 -4.945 -5.171 648 HD11 LEU 83 1HD1 LEU 83 2.743 -7.840 -5.500 649 HD12 LEU 83 2HD1 LEU 83 2.917 -6.573 -6.712 650 HD13 LEU 83 3HD1 LEU 83 1.311 -7.049 -6.171 651 HD21 LEU 83 1HD2 LEU 83 0.547 -6.444 -3.864 652 HD22 LEU 83 2HD2 LEU 83 1.564 -5.460 -2.818 653 HD23 LEU 83 3HD2 LEU 83 1.973 -7.155 -3.102 654 H HIS 84 H HIS 84 3.860 -8.895 -4.257 655 HA HIS 84 HA HIS 84 6.251 -10.012 -5.241 656 HB2 HIS 84 2HB HIS 84 3.371 -10.650 -5.995 657 HB3 HIS 84 1HB HIS 84 4.751 -11.614 -6.519 658 HD1 HIS 84 HD1 HIS 84 2.205 -11.935 -4.243 659 HD2 HIS 84 HD2 HIS 84 6.326 -12.223 -3.864 660 HE1 HIS 84 HE1 HIS 84 2.596 -13.303 -2.177 661 HE2 HIS 84 HE2 HIS 84 5.083 -13.649 -2.113 662 HA PRO 85 HA PRO 85 6.728 -7.710 -9.163 663 HB2 PRO 85 2HB PRO 85 8.426 -9.572 -10.380 664 HB3 PRO 85 1HB PRO 85 8.957 -8.300 -9.263 665 HG2 PRO 85 2HG PRO 85 8.382 -11.189 -8.670 666 HG3 PRO 85 1HG PRO 85 9.736 -10.173 -8.121 667 HD2 PRO 85 2HD PRO 85 7.680 -10.677 -6.488 668 HD3 PRO 85 1HD PRO 85 8.426 -9.060 -6.518 669 H ASP 86 H ASP 86 5.527 -10.895 -8.699 670 HA ASP 86 HA ASP 86 4.597 -11.467 -11.329 671 HB2 ASP 86 2HB ASP 86 3.589 -12.548 -8.650 672 HB3 ASP 86 1HB ASP 86 3.330 -13.270 -10.236 673 H ASP 87 H ASP 87 3.015 -10.417 -8.307 674 HA ASP 87 HA ASP 87 0.390 -10.191 -9.445 675 HB2 ASP 87 2HB ASP 87 1.540 -9.365 -6.745 676 HB3 ASP 87 1HB ASP 87 -0.150 -9.086 -7.163 677 H ARG 88 H ARG 88 3.029 -7.928 -8.921 678 HA ARG 88 HA ARG 88 1.465 -5.539 -9.033 679 HB2 ARG 88 2HB ARG 88 3.529 -4.328 -9.039 680 HB3 ARG 88 1HB ARG 88 3.759 -5.727 -8.007 681 HG2 ARG 88 2HG ARG 88 5.758 -5.817 -9.134 682 HG3 ARG 88 1HG ARG 88 4.793 -6.773 -10.253 683 HD2 ARG 88 2HD ARG 88 4.422 -4.690 -11.624 684 HD3 ARG 88 1HD ARG 88 5.507 -3.826 -10.534 685 HE ARG 88 HE ARG 88 6.956 -5.990 -11.450 686 HH11 ARG 88 1HH1 ARG 88 5.329 -3.250 -12.966 687 HH12 ARG 88 2HH1 ARG 88 6.422 -3.179 -14.314 688 HH21 ARG 88 1HH2 ARG 88 8.424 -5.864 -13.184 689 HH22 ARG 88 2HH2 ARG 88 8.196 -4.678 -14.435 690 H SER 89 H SER 89 2.919 -7.587 -11.488 691 HA SER 89 HA SER 89 2.268 -5.704 -13.658 692 HB2 SER 89 2HB SER 89 4.519 -6.815 -13.594 693 HB3 SER 89 1HB SER 89 3.727 -8.378 -13.775 694 HG SER 89 HG SER 89 2.772 -6.941 -15.723 695 H LYS 90 H LYS 90 1.199 -8.674 -12.157 696 HA LYS 90 HA LYS 90 -0.392 -9.672 -14.337 697 HB2 LYS 90 2HB LYS 90 0.488 -11.203 -12.620 698 HB3 LYS 90 1HB LYS 90 -0.421 -10.366 -11.366 699 HG2 LYS 90 2HG LYS 90 -2.549 -11.101 -12.472 700 HG3 LYS 90 1HG LYS 90 -1.586 -11.988 -13.659 701 HD2 LYS 90 2HD LYS 90 -2.428 -13.497 -11.879 702 HD3 LYS 90 1HD LYS 90 -0.665 -13.431 -11.882 703 HE2 LYS 90 2HE LYS 90 -0.710 -11.872 -9.975 704 HE3 LYS 90 1HE LYS 90 -2.470 -11.874 -9.995 705 HZ1 LYS 90 1HZ LYS 90 -0.778 -14.262 -9.477 706 HZ2 LYS 90 2HZ LYS 90 -2.459 -14.199 -9.409 707 HZ3 LYS 90 3HZ LYS 90 -1.534 -13.331 -8.282 708 H ILE 91 H ILE 91 -1.238 -8.294 -11.153 709 HA ILE 91 HA ILE 91 -3.923 -7.546 -12.080 710 HB ILE 91 HB ILE 91 -2.894 -7.142 -9.235 711 HG12 ILE 91 2HG1 ILE 91 -3.888 -9.796 -10.375 712 HG13 ILE 91 1HG1 ILE 91 -2.253 -9.459 -9.838 713 HG21 ILE 91 1HG2 ILE 91 -5.136 -6.241 -9.778 714 HG22 ILE 91 2HG2 ILE 91 -5.258 -7.554 -8.607 715 HG23 ILE 91 3HG2 ILE 91 -5.668 -7.843 -10.299 716 HD11 ILE 91 1HD1 ILE 91 -4.698 -9.559 -8.079 717 HD12 ILE 91 2HD1 ILE 91 -3.055 -9.191 -7.543 718 HD13 ILE 91 3HD1 ILE 91 -3.432 -10.779 -8.210 719 H ALA 92 H ALA 92 -1.297 -6.181 -12.853 720 HA ALA 92 HA ALA 92 -1.037 -3.603 -11.865 721 HB1 ALA 92 1HB ALA 92 -0.102 -3.009 -14.057 722 HB2 ALA 92 2HB ALA 92 -0.783 -4.480 -14.761 723 HB3 ALA 92 3HB ALA 92 0.480 -4.588 -13.534 724 H LYS 93 H LYS 93 -3.321 -4.873 -14.260 725 HA LYS 93 HA LYS 93 -4.994 -2.485 -14.216 726 HB2 LYS 93 2HB LYS 93 -5.522 -5.279 -15.357 727 HB3 LYS 93 1HB LYS 93 -6.517 -3.852 -15.631 728 HG2 LYS 93 2HG LYS 93 -4.710 -2.775 -16.886 729 HG3 LYS 93 1HG LYS 93 -3.627 -4.124 -16.540 730 HD2 LYS 93 2HD LYS 93 -6.193 -4.299 -18.182 731 HD3 LYS 93 1HD LYS 93 -4.560 -4.237 -18.847 732 HE2 LYS 93 2HE LYS 93 -4.029 -6.384 -17.725 733 HE3 LYS 93 1HE LYS 93 -5.669 -6.446 -17.075 734 HZ1 LYS 93 1HZ LYS 93 -6.532 -6.590 -19.308 735 HZ2 LYS 93 2HZ LYS 93 -5.386 -7.812 -19.075 736 HZ3 LYS 93 3HZ LYS 93 -4.985 -6.435 -19.964 737 HA PRO 94 HA PRO 94 -6.255 -4.404 -10.236 738 HB2 PRO 94 2HB PRO 94 -7.320 -1.829 -9.335 739 HB3 PRO 94 1HB PRO 94 -5.833 -2.643 -8.822 740 HG2 PRO 94 2HG PRO 94 -5.886 -0.312 -10.264 741 HG3 PRO 94 1HG PRO 94 -4.518 -1.448 -10.260 742 HD2 PRO 94 2HD PRO 94 -6.695 -1.119 -12.323 743 HD3 PRO 94 1HD PRO 94 -4.956 -1.424 -12.545 744 H SER 95 H SER 95 -8.229 -4.654 -8.992 745 HA SER 95 HA SER 95 -10.520 -5.064 -10.723 746 HB2 SER 95 2HB SER 95 -9.800 -6.850 -9.201 747 HB3 SER 95 1HB SER 95 -9.988 -5.790 -7.804 748 HG SER 95 HG SER 95 -12.060 -6.125 -7.831 749 H GLU 96 H GLU 96 -10.018 -3.541 -7.519 750 HA GLU 96 HA GLU 96 -12.453 -1.886 -7.910 751 HB2 GLU 96 2HB GLU 96 -11.240 -3.025 -5.353 752 HB3 GLU 96 1HB GLU 96 -12.557 -1.862 -5.375 753 HG2 GLU 96 2HG GLU 96 -14.002 -3.481 -6.516 754 HG3 GLU 96 1HG GLU 96 -12.670 -4.635 -6.584 755 H THR 97 H THR 97 -10.438 -0.763 -9.096 756 HA THR 97 HA THR 97 -9.803 1.536 -7.398 757 HB THR 97 HB THR 97 -7.649 -0.022 -8.895 758 HG1 THR 97 HG1 THR 97 -8.401 0.226 -6.220 759 HG21 THR 97 1HG2 THR 97 -6.068 1.694 -8.062 760 HG22 THR 97 2HG2 THR 97 -7.417 2.632 -7.430 761 HG23 THR 97 3HG2 THR 97 -7.247 2.393 -9.170 762 H LEU 98 H LEU 98 -8.878 0.323 -10.643 763 HA LEU 98 HA LEU 98 -10.580 2.143 -12.042 764 HB2 LEU 98 2HB LEU 98 -8.590 3.583 -11.135 765 HB3 LEU 98 1HB LEU 98 -7.603 2.760 -12.323 766 HG LEU 98 HG LEU 98 -10.072 4.383 -13.094 767 HD11 LEU 98 1HD1 LEU 98 -8.532 5.886 -11.932 768 HD12 LEU 98 2HD1 LEU 98 -8.580 6.252 -13.653 769 HD13 LEU 98 3HD1 LEU 98 -7.202 5.378 -12.978 770 HD21 LEU 98 1HD2 LEU 98 -7.698 3.473 -14.760 771 HD22 LEU 98 2HD2 LEU 98 -9.039 4.473 -15.330 772 HD23 LEU 98 3HD2 LEU 98 -9.333 2.812 -14.825 Start of MODEL 5 1 H1 ALA 1 1H ALA 1 12.557 -22.240 9.489 2 H2 ALA 1 2H ALA 1 11.199 -22.514 8.527 3 H3 ALA 1 3H ALA 1 11.703 -23.688 9.625 4 HA ALA 1 HA ALA 1 9.782 -22.532 10.446 5 HB1 ALA 1 1HB ALA 1 10.676 -21.936 12.663 6 HB2 ALA 1 2HB ALA 1 12.308 -21.868 11.991 7 HB3 ALA 1 3HB ALA 1 11.441 -23.404 12.046 8 H GLU 2 H GLU 2 12.579 -20.219 10.451 9 HA GLU 2 HA GLU 2 10.815 -17.926 10.428 10 HB2 GLU 2 2HB GLU 2 12.998 -17.799 11.592 11 HB3 GLU 2 1HB GLU 2 13.846 -18.010 10.062 12 HG2 GLU 2 2HG GLU 2 12.945 -15.900 9.227 13 HG3 GLU 2 1HG GLU 2 11.976 -15.692 10.685 14 H GLN 3 H GLN 3 9.647 -17.723 8.636 15 HA GLN 3 HA GLN 3 10.666 -18.183 5.961 16 HB2 GLN 3 2HB GLN 3 8.285 -18.662 6.652 17 HB3 GLN 3 1HB GLN 3 8.021 -16.937 6.859 18 HG2 GLN 3 2HG GLN 3 7.086 -17.756 4.741 19 HG3 GLN 3 1HG GLN 3 8.356 -16.565 4.466 20 HE21 GLN 3 1HE2 GLN 3 7.516 -19.962 4.240 21 HE22 GLN 3 2HE2 GLN 3 8.783 -20.401 3.146 22 H SER 4 H SER 4 10.673 -16.503 4.328 23 HA SER 4 HA SER 4 12.406 -14.420 4.889 24 HB2 SER 4 2HB SER 4 11.892 -13.767 2.495 25 HB3 SER 4 1HB SER 4 12.295 -15.470 2.723 26 HG SER 4 HG SER 4 9.604 -14.581 2.754 27 H ASP 5 H ASP 5 8.914 -14.388 4.918 28 HA ASP 5 HA ASP 5 8.351 -11.666 4.549 29 HB2 ASP 5 2HB ASP 5 6.819 -13.749 6.156 30 HB3 ASP 5 1HB ASP 5 6.191 -12.155 5.757 31 H LYS 6 H LYS 6 9.705 -13.267 7.272 32 HA LYS 6 HA LYS 6 8.970 -11.509 9.370 33 HB2 LYS 6 2HB LYS 6 9.833 -13.856 9.644 34 HB3 LYS 6 1HB LYS 6 11.428 -13.325 9.158 35 HG2 LYS 6 2HG LYS 6 10.082 -12.090 11.566 36 HG3 LYS 6 1HG LYS 6 10.868 -13.658 11.695 37 HD2 LYS 6 2HD LYS 6 13.008 -12.642 10.954 38 HD3 LYS 6 1HD LYS 6 12.209 -11.069 10.832 39 HE2 LYS 6 2HE LYS 6 13.455 -11.214 12.928 40 HE3 LYS 6 1HE LYS 6 11.730 -11.150 13.273 41 HZ1 LYS 6 1HZ LYS 6 11.740 -13.546 13.596 42 HZ2 LYS 6 2HZ LYS 6 12.858 -12.798 14.626 43 HZ3 LYS 6 3HZ LYS 6 13.394 -13.608 13.247 44 H ASP 7 H ASP 7 11.628 -11.517 7.044 45 HA ASP 7 HA ASP 7 13.014 -9.242 8.235 46 HB2 ASP 7 2HB ASP 7 14.255 -11.127 7.134 47 HB3 ASP 7 1HB ASP 7 13.528 -10.689 5.593 48 H VAL 8 H VAL 8 11.190 -9.933 5.267 49 HA VAL 8 HA VAL 8 10.196 -7.190 5.115 50 HB VAL 8 HB VAL 8 12.227 -7.062 3.715 51 HG11 VAL 8 1HG1 VAL 8 12.580 -8.420 1.703 52 HG12 VAL 8 2HG1 VAL 8 11.130 -9.360 2.068 53 HG13 VAL 8 3HG1 VAL 8 12.520 -9.427 3.152 54 HG21 VAL 8 1HG2 VAL 8 10.284 -5.757 2.993 55 HG22 VAL 8 2HG2 VAL 8 9.728 -7.099 1.990 56 HG23 VAL 8 3HG2 VAL 8 11.239 -6.272 1.601 57 H LYS 9 H LYS 9 7.981 -7.304 4.527 58 HA LYS 9 HA LYS 9 6.965 -10.034 4.368 59 HB2 LYS 9 2HB LYS 9 6.122 -8.262 6.011 60 HB3 LYS 9 1HB LYS 9 5.282 -7.523 4.650 61 HG2 LYS 9 2HG LYS 9 3.919 -9.491 4.328 62 HG3 LYS 9 1HG LYS 9 4.880 -10.410 5.492 63 HD2 LYS 9 2HD LYS 9 4.115 -8.855 7.302 64 HD3 LYS 9 1HD LYS 9 3.090 -8.026 6.128 65 HE2 LYS 9 2HE LYS 9 2.852 -10.957 6.887 66 HE3 LYS 9 1HE LYS 9 1.840 -9.658 7.518 67 HZ1 LYS 9 1HZ LYS 9 1.037 -9.241 5.281 68 HZ2 LYS 9 2HZ LYS 9 0.761 -10.850 5.717 69 HZ3 LYS 9 3HZ LYS 9 2.027 -10.466 4.673 70 H TYR 10 H TYR 10 6.227 -10.962 2.625 71 HA TYR 10 HA TYR 10 6.354 -9.585 0.058 72 HB2 TYR 10 2HB TYR 10 6.118 -12.527 0.818 73 HB3 TYR 10 1HB TYR 10 6.106 -11.960 -0.849 74 HD1 TYR 10 HD1 TYR 10 8.147 -11.776 -2.005 75 HD2 TYR 10 HD2 TYR 10 8.188 -11.793 2.265 76 HE1 TYR 10 HE1 TYR 10 10.613 -11.827 -2.024 77 HE2 TYR 10 HE2 TYR 10 10.637 -11.858 2.244 78 HH TYR 10 HH TYR 10 12.461 -12.412 0.833 79 H TYR 11 H TYR 11 4.517 -8.389 -0.052 80 HA TYR 11 HA TYR 11 1.866 -9.537 0.141 81 HB2 TYR 11 2HB TYR 11 2.976 -6.771 -0.405 82 HB3 TYR 11 1HB TYR 11 1.309 -7.120 -0.851 83 HD1 TYR 11 HD1 TYR 11 3.657 -7.256 2.082 84 HD2 TYR 11 HD2 TYR 11 -0.386 -6.951 0.733 85 HE1 TYR 11 HE1 TYR 11 2.915 -6.875 4.388 86 HE2 TYR 11 HE2 TYR 11 -1.124 -6.571 3.030 87 HH TYR 11 HH TYR 11 -0.394 -6.992 5.275 88 H THR 12 H THR 12 0.495 -9.943 -1.483 89 HA THR 12 HA THR 12 1.357 -9.622 -4.293 90 HB THR 12 HB THR 12 -0.607 -11.047 -4.840 91 HG1 THR 12 HG1 THR 12 -1.979 -11.759 -3.344 92 HG21 THR 12 1HG2 THR 12 1.155 -12.307 -2.717 93 HG22 THR 12 2HG2 THR 12 1.524 -12.195 -4.439 94 HG23 THR 12 3HG2 THR 12 0.171 -13.186 -3.891 95 H LEU 13 H LEU 13 0.058 -8.339 -5.677 96 HA LEU 13 HA LEU 13 -1.396 -6.161 -4.578 97 HB2 LEU 13 2HB LEU 13 -0.167 -6.224 -6.847 98 HB3 LEU 13 1HB LEU 13 -1.564 -7.074 -7.482 99 HG LEU 13 HG LEU 13 -2.996 -5.101 -7.013 100 HD11 LEU 13 1HD1 LEU 13 -0.465 -3.778 -5.966 101 HD12 LEU 13 2HD1 LEU 13 -1.892 -4.221 -5.019 102 HD13 LEU 13 3HD1 LEU 13 -2.010 -2.968 -6.252 103 HD21 LEU 13 1HD2 LEU 13 -1.874 -5.238 -9.208 104 HD22 LEU 13 2HD2 LEU 13 -0.488 -4.355 -8.564 105 HD23 LEU 13 3HD2 LEU 13 -2.060 -3.562 -8.691 106 H GLU 14 H GLU 14 -2.183 -9.286 -5.849 107 HA GLU 14 HA GLU 14 -4.959 -9.336 -5.991 108 HB2 GLU 14 2HB GLU 14 -3.248 -11.095 -6.710 109 HB3 GLU 14 1HB GLU 14 -3.121 -11.576 -5.022 110 HG2 GLU 14 2HG GLU 14 -5.530 -12.167 -5.035 111 HG3 GLU 14 1HG GLU 14 -5.613 -11.725 -6.741 112 H GLU 15 H GLU 15 -2.787 -9.731 -3.204 113 HA GLU 15 HA GLU 15 -4.670 -10.344 -1.192 114 HB2 GLU 15 2HB GLU 15 -2.179 -10.550 -0.930 115 HB3 GLU 15 1HB GLU 15 -2.049 -8.798 -0.924 116 HG2 GLU 15 2HG GLU 15 -1.874 -9.620 1.339 117 HG3 GLU 15 1HG GLU 15 -3.383 -8.726 1.167 118 H ILE 16 H ILE 16 -3.301 -7.249 -2.299 119 HA ILE 16 HA ILE 16 -4.624 -5.633 -0.382 120 HB ILE 16 HB ILE 16 -3.419 -4.703 -3.030 121 HG12 ILE 16 2HG1 ILE 16 -2.043 -5.011 -0.314 122 HG13 ILE 16 1HG1 ILE 16 -1.760 -6.041 -1.714 123 HG21 ILE 16 1HG2 ILE 16 -3.882 -3.213 -0.419 124 HG22 ILE 16 2HG2 ILE 16 -4.834 -3.021 -1.894 125 HG23 ILE 16 3HG2 ILE 16 -3.136 -2.542 -1.872 126 HD11 ILE 16 1HD1 ILE 16 -1.128 -3.103 -1.500 127 HD12 ILE 16 2HD1 ILE 16 -0.903 -4.095 -2.944 128 HD13 ILE 16 3HD1 ILE 16 0.016 -4.446 -1.481 129 H GLN 17 H GLN 17 -5.571 -6.805 -3.583 130 HA GLN 17 HA GLN 17 -7.519 -4.956 -4.356 131 HB2 GLN 17 2HB GLN 17 -7.531 -7.973 -4.803 132 HB3 GLN 17 1HB GLN 17 -8.628 -6.856 -5.605 133 HG2 GLN 17 2HG GLN 17 -5.630 -6.995 -5.917 134 HG3 GLN 17 1HG GLN 17 -6.835 -7.431 -7.112 135 HE21 GLN 17 1HE2 GLN 17 -5.100 -4.821 -5.615 136 HE22 GLN 17 2HE2 GLN 17 -5.653 -3.572 -6.673 137 H LYS 18 H LYS 18 -7.674 -7.303 -1.811 138 HA LYS 18 HA LYS 18 -10.559 -7.214 -1.439 139 HB2 LYS 18 2HB LYS 18 -8.334 -8.465 0.211 140 HB3 LYS 18 1HB LYS 18 -10.056 -8.726 0.476 141 HG2 LYS 18 2HG LYS 18 -10.268 -9.812 -1.704 142 HG3 LYS 18 1HG LYS 18 -8.572 -9.485 -2.061 143 HD2 LYS 18 2HD LYS 18 -9.593 -11.274 0.182 144 HD3 LYS 18 1HD LYS 18 -8.922 -11.826 -1.353 145 HE2 LYS 18 2HE LYS 18 -6.757 -10.791 -0.791 146 HE3 LYS 18 1HE LYS 18 -7.418 -10.218 0.740 147 HZ1 LYS 18 1HZ LYS 18 -7.079 -13.056 -0.071 148 HZ2 LYS 18 2HZ LYS 18 -7.769 -12.544 1.378 149 HZ3 LYS 18 3HZ LYS 18 -6.139 -12.220 1.063 150 H HIS 19 H HIS 19 -8.862 -4.734 -1.141 151 HA HIS 19 HA HIS 19 -8.819 -3.844 1.546 152 HB2 HIS 19 2HB HIS 19 -8.695 -1.513 0.422 153 HB3 HIS 19 1HB HIS 19 -7.414 -2.653 0.049 154 HD1 HIS 19 HD1 HIS 19 -6.816 -2.657 -2.342 155 HD2 HIS 19 HD2 HIS 19 -10.822 -1.711 -1.859 156 HE1 HIS 19 HE1 HIS 19 -7.706 -2.254 -4.632 157 HE2 HIS 19 HE2 HIS 19 -10.118 -1.671 -4.317 158 H LYS 20 H LYS 20 -10.906 -4.574 2.287 159 HA LYS 20 HA LYS 20 -13.102 -2.653 1.679 160 HB2 LYS 20 2HB LYS 20 -13.396 -5.597 2.416 161 HB3 LYS 20 1HB LYS 20 -14.712 -4.472 2.102 162 HG2 LYS 20 2HG LYS 20 -12.649 -5.412 0.089 163 HG3 LYS 20 1HG LYS 20 -14.336 -5.921 0.162 164 HD2 LYS 20 2HD LYS 20 -15.073 -3.644 -0.396 165 HD3 LYS 20 1HD LYS 20 -13.406 -3.071 -0.352 166 HE2 LYS 20 2HE LYS 20 -12.890 -4.594 -2.274 167 HE3 LYS 20 1HE LYS 20 -14.604 -5.012 -2.356 168 HZ1 LYS 20 1HZ LYS 20 -13.367 -2.355 -2.831 169 HZ2 LYS 20 2HZ LYS 20 -15.027 -2.570 -2.639 170 HZ3 LYS 20 3HZ LYS 20 -14.229 -3.308 -3.929 171 H ASP 21 H ASP 21 -10.863 -2.937 3.749 172 HA ASP 21 HA ASP 21 -12.457 -2.280 6.129 173 HB2 ASP 21 2HB ASP 21 -10.241 -4.375 6.039 174 HB3 ASP 21 1HB ASP 21 -10.840 -3.657 7.528 175 H SER 22 H SER 22 -11.214 -1.131 7.752 176 HA SER 22 HA SER 22 -9.431 0.809 6.638 177 HB2 SER 22 2HB SER 22 -9.990 0.302 9.595 178 HB3 SER 22 1HB SER 22 -9.425 1.802 8.855 179 HG SER 22 HG SER 22 -11.419 2.307 8.460 180 H LYS 23 H LYS 23 -9.069 -1.882 8.951 181 HA LYS 23 HA LYS 23 -6.255 -1.584 9.285 182 HB2 LYS 23 2HB LYS 23 -6.268 -3.542 10.645 183 HB3 LYS 23 1HB LYS 23 -7.746 -2.675 11.006 184 HG2 LYS 23 2HG LYS 23 -7.662 -5.049 9.126 185 HG3 LYS 23 1HG LYS 23 -7.895 -5.213 10.866 186 HD2 LYS 23 2HD LYS 23 -9.940 -3.811 10.706 187 HD3 LYS 23 1HD LYS 23 -9.710 -3.704 8.956 188 HE2 LYS 23 2HE LYS 23 -11.376 -5.402 9.453 189 HE3 LYS 23 1HE LYS 23 -9.934 -6.187 8.811 190 HZ1 LYS 23 1HZ LYS 23 -10.678 -6.007 11.682 191 HZ2 LYS 23 2HZ LYS 23 -9.301 -6.775 11.072 192 HZ3 LYS 23 3HZ LYS 23 -10.833 -7.372 10.703 193 H SER 24 H SER 24 -8.159 -3.020 6.822 194 HA SER 24 HA SER 24 -5.790 -4.368 5.655 195 HB2 SER 24 2HB SER 24 -8.717 -4.729 4.881 196 HB3 SER 24 1HB SER 24 -7.347 -5.705 4.346 197 HG SER 24 HG SER 24 -7.121 -6.007 6.805 198 H THR 25 H THR 25 -5.054 -2.135 5.163 199 HA THR 25 HA THR 25 -5.891 -1.291 2.475 200 HB THR 25 HB THR 25 -5.619 0.664 4.812 201 HG1 THR 25 HG1 THR 25 -7.649 -0.532 4.672 202 HG21 THR 25 1HG2 THR 25 -6.262 2.425 3.221 203 HG22 THR 25 2HG2 THR 25 -6.323 1.252 1.906 204 HG23 THR 25 3HG2 THR 25 -4.782 1.633 2.678 205 H TRP 26 H TRP 26 -4.067 -1.167 1.268 206 HA TRP 26 HA TRP 26 -1.508 -0.216 2.343 207 HB2 TRP 26 2HB TRP 26 -1.782 -2.881 0.849 208 HB3 TRP 26 1HB TRP 26 -0.273 -2.139 1.374 209 HD1 TRP 26 HD TRP 26 0.224 -2.200 4.106 210 HE1 TRP 26 HE1 TRP 26 -0.622 -3.828 5.911 211 HE3 TRP 26 HE3 TRP 26 -3.669 -4.303 1.547 212 HZ2 TRP 26 HZ2 TRP 26 -2.654 -5.770 6.205 213 HZ3 TRP 26 HZ3 TRP 26 -5.014 -6.047 2.648 214 HH2 TRP 26 HH TRP 26 -4.518 -6.763 4.935 215 H VAL 27 H VAL 27 -0.106 0.553 0.587 216 HA VAL 27 HA VAL 27 -1.312 0.613 -2.126 217 HB VAL 27 HB VAL 27 -0.460 2.958 -2.433 218 HG11 VAL 27 1HG1 VAL 27 -2.566 2.668 -0.258 219 HG12 VAL 27 2HG1 VAL 27 -2.838 2.606 -2.000 220 HG13 VAL 27 3HG1 VAL 27 -2.296 4.107 -1.250 221 HG21 VAL 27 1HG2 VAL 27 1.232 2.990 -0.667 222 HG22 VAL 27 2HG2 VAL 27 -0.019 2.895 0.573 223 HG23 VAL 27 3HG2 VAL 27 0.103 4.330 -0.453 224 H ILE 28 H ILE 28 0.236 0.906 -3.862 225 HA ILE 28 HA ILE 28 3.037 0.267 -3.160 226 HB ILE 28 HB ILE 28 3.212 -1.390 -4.898 227 HG12 ILE 28 2HG1 ILE 28 0.743 -2.116 -5.939 228 HG13 ILE 28 1HG1 ILE 28 0.558 -0.370 -5.875 229 HG21 ILE 28 1HG2 ILE 28 0.762 -1.862 -3.172 230 HG22 ILE 28 2HG2 ILE 28 2.445 -2.211 -2.766 231 HG23 ILE 28 3HG2 ILE 28 1.638 -3.119 -4.036 232 HD11 ILE 28 1HD1 ILE 28 2.543 -0.113 -7.307 233 HD12 ILE 28 2HD1 ILE 28 1.327 -1.151 -8.060 234 HD13 ILE 28 3HD1 ILE 28 2.753 -1.867 -7.312 235 H LEU 29 H LEU 29 4.540 1.421 -4.256 236 HA LEU 29 HA LEU 29 3.610 3.573 -6.003 237 HB2 LEU 29 2HB LEU 29 5.662 4.644 -5.653 238 HB3 LEU 29 1HB LEU 29 5.332 3.877 -4.114 239 HG LEU 29 HG LEU 29 7.292 2.793 -6.190 240 HD11 LEU 29 1HD1 LEU 29 7.887 4.365 -3.664 241 HD12 LEU 29 2HD1 LEU 29 8.092 4.930 -5.324 242 HD13 LEU 29 3HD1 LEU 29 9.085 3.608 -4.719 243 HD21 LEU 29 1HD2 LEU 29 8.115 1.333 -4.386 244 HD22 LEU 29 2HD2 LEU 29 6.421 1.011 -4.745 245 HD23 LEU 29 3HD2 LEU 29 6.855 1.937 -3.307 246 H HIS 30 H HIS 30 5.088 0.484 -6.304 247 HA HIS 30 HA HIS 30 5.231 0.394 -9.119 248 HB2 HIS 30 2HB HIS 30 7.109 1.987 -8.869 249 HB3 HIS 30 1HB HIS 30 7.903 0.925 -7.713 250 HD1 HIS 30 HD1 HIS 30 9.882 -0.062 -8.810 251 HD2 HIS 30 HD2 HIS 30 6.689 0.247 -11.448 252 HE1 HIS 30 HE1 HIS 30 10.695 -1.039 -10.966 253 HE2 HIS 30 HE2 HIS 30 8.679 -1.036 -12.466 254 H HIS 31 H HIS 31 7.420 -0.735 -6.518 255 HA HIS 31 HA HIS 31 6.637 -3.552 -7.038 256 HB2 HIS 31 2HB HIS 31 8.757 -3.333 -8.148 257 HB3 HIS 31 1HB HIS 31 9.443 -2.367 -6.847 258 HD1 HIS 31 HD1 HIS 31 10.830 -3.590 -5.178 259 HD2 HIS 31 HD2 HIS 31 8.342 -6.172 -7.284 260 HE1 HIS 31 HE1 HIS 31 11.364 -5.890 -4.328 261 HE2 HIS 31 HE2 HIS 31 9.674 -7.374 -5.425 262 H LYS 32 H LYS 32 7.266 -1.074 -4.645 263 HA LYS 32 HA LYS 32 7.234 -3.163 -2.520 264 HB2 LYS 32 2HB LYS 32 8.368 -0.345 -2.461 265 HB3 LYS 32 1HB LYS 32 8.138 -1.321 -1.010 266 HG2 LYS 32 2HG LYS 32 9.671 -3.038 -1.898 267 HG3 LYS 32 1HG LYS 32 9.894 -2.089 -3.369 268 HD2 LYS 32 2HD LYS 32 10.674 -1.186 -0.567 269 HD3 LYS 32 1HD LYS 32 11.780 -1.809 -1.790 270 HE2 LYS 32 2HE LYS 32 11.207 0.092 -3.267 271 HE3 LYS 32 1HE LYS 32 10.127 0.723 -2.021 272 HZ1 LYS 32 1HZ LYS 32 12.219 1.864 -1.901 273 HZ2 LYS 32 2HZ LYS 32 13.075 0.418 -1.823 274 HZ3 LYS 32 3HZ LYS 32 12.092 0.874 -0.532 275 H VAL 33 H VAL 33 5.881 -3.018 -0.833 276 HA VAL 33 HA VAL 33 3.440 -1.406 -1.181 277 HB VAL 33 HB VAL 33 3.157 -3.873 -1.226 278 HG11 VAL 33 1HG1 VAL 33 3.531 -5.257 0.762 279 HG12 VAL 33 2HG1 VAL 33 4.209 -3.873 1.617 280 HG13 VAL 33 3HG1 VAL 33 5.031 -4.526 0.200 281 HG21 VAL 33 1HG2 VAL 33 1.289 -2.522 -0.405 282 HG22 VAL 33 2HG2 VAL 33 1.916 -2.614 1.242 283 HG23 VAL 33 3HG2 VAL 33 1.338 -4.076 0.433 284 H TYR 34 H TYR 34 2.535 -0.353 0.599 285 HA TYR 34 HA TYR 34 4.263 0.122 2.950 286 HB2 TYR 34 2HB TYR 34 2.512 2.193 1.545 287 HB3 TYR 34 1HB TYR 34 3.568 2.477 2.924 288 HD1 TYR 34 HD1 TYR 34 6.008 2.615 2.655 289 HD2 TYR 34 HD2 TYR 34 3.445 1.933 -0.724 290 HE1 TYR 34 HE1 TYR 34 7.836 3.202 1.118 291 HE2 TYR 34 HE2 TYR 34 5.273 2.539 -2.239 292 HH TYR 34 HH TYR 34 8.469 2.754 -1.264 293 H ASP 35 H ASP 35 3.155 0.642 4.847 294 HA ASP 35 HA ASP 35 0.654 -0.801 5.185 295 HB2 ASP 35 2HB ASP 35 2.629 -1.134 6.723 296 HB3 ASP 35 1HB ASP 35 2.488 0.549 7.226 297 H LEU 36 H LEU 36 -0.914 0.480 4.325 298 HA LEU 36 HA LEU 36 -0.915 3.367 4.737 299 HB2 LEU 36 2HB LEU 36 -1.430 1.941 2.523 300 HB3 LEU 36 1HB LEU 36 -3.062 1.960 3.149 301 HG LEU 36 HG LEU 36 -2.667 3.716 1.436 302 HD11 LEU 36 1HD1 LEU 36 -4.374 4.139 3.133 303 HD12 LEU 36 2HD1 LEU 36 -3.628 5.624 2.552 304 HD13 LEU 36 3HD1 LEU 36 -3.182 4.971 4.133 305 HD21 LEU 36 1HD2 LEU 36 -0.281 4.138 1.891 306 HD22 LEU 36 2HD2 LEU 36 -0.711 4.965 3.383 307 HD23 LEU 36 3HD2 LEU 36 -1.221 5.625 1.829 308 H THR 37 H THR 37 -2.470 0.570 6.023 309 HA THR 37 HA THR 37 -4.787 1.617 7.136 310 HB THR 37 HB THR 37 -4.517 -0.720 7.297 311 HG1 THR 37 HG1 THR 37 -5.592 0.109 9.095 312 HG21 THR 37 1HG2 THR 37 -2.068 -0.883 7.293 313 HG22 THR 37 2HG2 THR 37 -2.774 -1.867 8.577 314 HG23 THR 37 3HG2 THR 37 -2.023 -0.318 8.965 315 H LYS 38 H LYS 38 -1.458 1.830 8.477 316 HA LYS 38 HA LYS 38 -2.205 3.383 10.793 317 HB2 LYS 38 2HB LYS 38 -0.107 2.090 10.759 318 HB3 LYS 38 1HB LYS 38 0.466 2.990 9.368 319 HG2 LYS 38 2HG LYS 38 1.688 3.720 11.271 320 HG3 LYS 38 1HG LYS 38 0.618 5.034 10.804 321 HD2 LYS 38 2HD LYS 38 -0.190 3.114 13.008 322 HD3 LYS 38 1HD LYS 38 0.942 4.417 13.341 323 HE2 LYS 38 2HE LYS 38 -0.759 6.056 12.555 324 HE3 LYS 38 1HE LYS 38 -1.903 4.726 12.345 325 HZ1 LYS 38 1HZ LYS 38 -2.182 5.889 14.477 326 HZ2 LYS 38 2HZ LYS 38 -0.605 5.474 14.918 327 HZ3 LYS 38 3HZ LYS 38 -1.765 4.265 14.706 328 H PHE 39 H PHE 39 -1.239 4.082 7.512 329 HA PHE 39 HA PHE 39 -0.509 6.815 7.780 330 HB2 PHE 39 2HB PHE 39 0.121 5.063 5.969 331 HB3 PHE 39 1HB PHE 39 -1.419 5.431 5.223 332 HD1 PHE 39 HD1 PHE 39 2.006 6.618 5.851 333 HD2 PHE 39 HD2 PHE 39 -1.745 7.620 4.052 334 HE1 PHE 39 HE1 PHE 39 3.111 8.364 4.524 335 HE2 PHE 39 HE2 PHE 39 -0.620 9.374 2.732 336 HZ PHE 39 HZ PHE 39 1.803 9.733 2.962 337 H LEU 40 H LEU 40 -3.561 5.167 7.092 338 HA LEU 40 HA LEU 40 -4.958 7.529 6.238 339 HB2 LEU 40 2HB LEU 40 -6.924 6.172 6.066 340 HB3 LEU 40 1HB LEU 40 -5.561 5.304 5.408 341 HG LEU 40 HG LEU 40 -5.580 4.110 7.814 342 HD11 LEU 40 1HD1 LEU 40 -7.382 5.438 8.794 343 HD12 LEU 40 2HD1 LEU 40 -7.847 3.746 8.673 344 HD13 LEU 40 3HD1 LEU 40 -8.493 4.920 7.522 345 HD21 LEU 40 1HD2 LEU 40 -7.517 3.370 5.594 346 HD22 LEU 40 2HD2 LEU 40 -6.949 2.297 6.878 347 HD23 LEU 40 3HD2 LEU 40 -5.810 2.925 5.691 348 H GLU 41 H GLU 41 -4.541 5.829 9.279 349 HA GLU 41 HA GLU 41 -6.534 7.366 10.729 350 HB2 GLU 41 2HB GLU 41 -4.361 5.441 11.679 351 HB3 GLU 41 1HB GLU 41 -5.547 6.193 12.743 352 HG2 GLU 41 2HG GLU 41 -7.368 5.076 11.489 353 HG3 GLU 41 1HG GLU 41 -6.170 4.291 10.463 354 H GLU 42 H GLU 42 -3.504 8.133 9.593 355 HA GLU 42 HA GLU 42 -2.456 9.365 12.001 356 HB2 GLU 42 2HB GLU 42 -1.116 8.083 10.205 357 HB3 GLU 42 1HB GLU 42 -1.241 9.545 9.228 358 HG2 GLU 42 2HG GLU 42 0.892 9.513 10.389 359 HG3 GLU 42 1HG GLU 42 -0.103 10.816 11.043 360 H TRP 43 H TRP 43 -2.935 10.712 8.670 361 HA TRP 43 HA TRP 43 -3.565 13.329 9.908 362 HB2 TRP 43 2HB TRP 43 -2.525 12.727 7.124 363 HB3 TRP 43 1HB TRP 43 -3.134 14.302 7.591 364 HD1 TRP 43 HD TRP 43 -0.667 12.123 9.675 365 HE1 TRP 43 HE1 TRP 43 1.539 13.428 9.905 366 HE3 TRP 43 HE3 TRP 43 -1.795 16.156 6.736 367 HZ2 TRP 43 HZ2 TRP 43 2.652 15.852 8.979 368 HZ3 TRP 43 HZ3 TRP 43 -0.106 17.925 6.456 369 HH2 TRP 43 HH TRP 43 2.077 17.779 7.554 370 HA PRO 44 HA PRO 44 -6.963 13.163 6.466 371 HB2 PRO 44 2HB PRO 44 -7.651 10.782 5.248 372 HB3 PRO 44 1HB PRO 44 -6.419 11.886 4.614 373 HG2 PRO 44 2HG PRO 44 -6.050 9.383 6.209 374 HG3 PRO 44 1HG PRO 44 -5.135 9.963 4.798 375 HD2 PRO 44 2HD PRO 44 -4.196 10.232 7.336 376 HD3 PRO 44 1HD PRO 44 -3.831 11.412 6.060 377 H GLY 45 H GLY 45 -6.736 10.308 8.526 378 HA2 GLY 45 2HA GLY 45 -8.058 9.558 10.220 379 HA3 GLY 45 1HA GLY 45 -9.012 11.024 10.079 380 H GLY 46 H GLY 46 -8.844 9.333 7.121 381 HA2 GLY 46 2HA GLY 46 -11.354 7.851 7.564 382 HA3 GLY 46 1HA GLY 46 -11.272 9.067 6.301 383 H GLU 47 H GLU 47 -11.118 5.865 6.820 384 HA GLU 47 HA GLU 47 -9.058 5.060 5.037 385 HB2 GLU 47 2HB GLU 47 -9.986 2.840 5.092 386 HB3 GLU 47 1HB GLU 47 -10.048 3.501 6.712 387 HG2 GLU 47 2HG GLU 47 -12.387 3.183 4.817 388 HG3 GLU 47 1HG GLU 47 -12.029 2.167 6.207 389 H GLU 48 H GLU 48 -12.459 5.829 4.639 390 HA GLU 48 HA GLU 48 -13.288 4.700 2.368 391 HB2 GLU 48 2HB GLU 48 -14.730 6.765 2.027 392 HB3 GLU 48 1HB GLU 48 -14.778 6.049 3.634 393 HG2 GLU 48 2HG GLU 48 -13.194 7.765 4.450 394 HG3 GLU 48 1HG GLU 48 -13.171 8.499 2.848 395 H VAL 49 H VAL 49 -11.354 7.707 2.324 396 HA VAL 49 HA VAL 49 -11.731 8.263 -0.438 397 HB VAL 49 HB VAL 49 -11.334 10.037 1.228 398 HG11 VAL 49 1HG1 VAL 49 -8.493 8.989 1.466 399 HG12 VAL 49 2HG1 VAL 49 -9.746 8.878 2.703 400 HG13 VAL 49 3HG1 VAL 49 -9.128 10.458 2.220 401 HG21 VAL 49 1HG2 VAL 49 -10.822 10.512 -1.128 402 HG22 VAL 49 2HG2 VAL 49 -9.154 9.990 -0.882 403 HG23 VAL 49 3HG2 VAL 49 -9.760 11.428 -0.053 404 H LEU 50 H LEU 50 -9.293 6.446 1.315 405 HA LEU 50 HA LEU 50 -7.551 6.259 -1.086 406 HB2 LEU 50 2HB LEU 50 -5.772 5.633 0.732 407 HB3 LEU 50 1HB LEU 50 -6.256 7.300 0.514 408 HG LEU 50 HG LEU 50 -7.884 6.925 2.499 409 HD11 LEU 50 1HD1 LEU 50 -7.305 5.191 4.095 410 HD12 LEU 50 2HD1 LEU 50 -6.079 4.552 3.001 411 HD13 LEU 50 3HD1 LEU 50 -7.782 4.488 2.553 412 HD21 LEU 50 1HD2 LEU 50 -6.154 7.468 4.160 413 HD22 LEU 50 2HD2 LEU 50 -5.883 8.347 2.657 414 HD23 LEU 50 3HD2 LEU 50 -4.890 6.941 3.045 415 H ARG 51 H ARG 51 -9.465 4.439 1.085 416 HA ARG 51 HA ARG 51 -8.133 1.884 0.789 417 HB2 ARG 51 2HB ARG 51 -9.224 2.413 2.901 418 HB3 ARG 51 1HB ARG 51 -10.761 2.713 2.115 419 HG2 ARG 51 2HG ARG 51 -9.618 -0.052 1.850 420 HG3 ARG 51 1HG ARG 51 -10.203 0.422 3.444 421 HD2 ARG 51 2HD ARG 51 -11.819 0.480 0.876 422 HD3 ARG 51 1HD ARG 51 -11.937 -0.745 2.141 423 HE ARG 51 HE ARG 51 -12.682 1.097 3.653 424 HH11 ARG 51 1HH1 ARG 51 -13.153 1.428 0.183 425 HH12 ARG 51 2HH1 ARG 51 -14.496 2.516 0.347 426 HH21 ARG 51 1HH2 ARG 51 -14.476 2.505 3.854 427 HH22 ARG 51 2HH2 ARG 51 -15.249 3.127 2.428 428 H GLU 52 H GLU 52 -10.765 3.625 -0.725 429 HA GLU 52 HA GLU 52 -11.913 1.578 -2.294 430 HB2 GLU 52 2HB GLU 52 -12.710 3.431 -3.753 431 HB3 GLU 52 1HB GLU 52 -12.945 3.800 -2.049 432 HG2 GLU 52 2HG GLU 52 -10.893 5.209 -2.086 433 HG3 GLU 52 1HG GLU 52 -10.721 4.878 -3.809 434 H GLN 53 H GLN 53 -8.970 3.468 -2.697 435 HA GLN 53 HA GLN 53 -8.247 1.991 -5.170 436 HB2 GLN 53 2HB GLN 53 -6.947 4.027 -5.817 437 HB3 GLN 53 1HB GLN 53 -8.676 4.326 -5.722 438 HG2 GLN 53 2HG GLN 53 -8.462 5.561 -3.697 439 HG3 GLN 53 1HG GLN 53 -6.815 4.997 -3.434 440 HE21 GLN 53 1HE2 GLN 53 -5.847 5.456 -6.107 441 HE22 GLN 53 2HE2 GLN 53 -5.729 7.174 -6.287 442 H ALA 54 H ALA 54 -7.694 1.144 -2.463 443 HA ALA 54 HA ALA 54 -4.960 1.712 -1.788 444 HB1 ALA 54 1HB ALA 54 -6.588 0.987 -0.082 445 HB2 ALA 54 2HB ALA 54 -5.198 -0.098 -0.144 446 HB3 ALA 54 3HB ALA 54 -6.727 -0.581 -0.879 447 H GLY 55 H GLY 55 -3.161 0.828 -2.668 448 HA2 GLY 55 2HA GLY 55 -1.834 -0.844 -3.681 449 HA3 GLY 55 1HA GLY 55 -3.282 -1.677 -4.224 450 H GLY 56 H GLY 56 -4.073 1.360 -4.932 451 HA2 GLY 56 2HA GLY 56 -3.790 1.107 -7.734 452 HA3 GLY 56 1HA GLY 56 -4.326 2.538 -6.872 453 H ASP 57 H ASP 57 -2.314 3.516 -5.533 454 HA ASP 57 HA ASP 57 0.255 3.344 -6.778 455 HB2 ASP 57 2HB ASP 57 -0.803 4.782 -8.491 456 HB3 ASP 57 1HB ASP 57 -1.345 5.906 -7.253 457 H ALA 58 H ALA 58 1.837 4.684 -5.724 458 HA ALA 58 HA ALA 58 1.099 5.999 -3.211 459 HB1 ALA 58 1HB ALA 58 3.259 3.855 -3.376 460 HB2 ALA 58 2HB ALA 58 1.679 3.660 -2.622 461 HB3 ALA 58 3HB ALA 58 2.832 4.808 -1.947 462 H THR 59 H THR 59 2.842 6.002 -6.121 463 HA THR 59 HA THR 59 5.296 7.190 -5.291 464 HB THR 59 HB THR 59 4.003 7.457 -8.047 465 HG1 THR 59 HG1 THR 59 4.125 5.341 -8.006 466 HG21 THR 59 1HG2 THR 59 6.332 7.561 -8.850 467 HG22 THR 59 2HG2 THR 59 6.925 7.416 -7.193 468 HG23 THR 59 3HG2 THR 59 6.022 8.852 -7.687 469 H GLU 60 H GLU 60 2.311 8.520 -6.710 470 HA GLU 60 HA GLU 60 2.957 11.219 -5.654 471 HB2 GLU 60 2HB GLU 60 2.809 11.013 -8.152 472 HB3 GLU 60 1HB GLU 60 1.150 10.446 -7.995 473 HG2 GLU 60 2HG GLU 60 0.545 12.643 -6.952 474 HG3 GLU 60 1HG GLU 60 2.199 13.197 -7.238 475 H ASN 61 H ASN 61 0.723 8.523 -5.587 476 HA ASN 61 HA ASN 61 -1.652 10.108 -5.122 477 HB2 ASN 61 2HB ASN 61 -1.671 7.957 -6.399 478 HB3 ASN 61 1HB ASN 61 -1.364 7.087 -4.900 479 HD21 ASN 61 1HD2 ASN 61 -3.064 6.825 -3.430 480 HD22 ASN 61 2HD2 ASN 61 -4.695 7.265 -3.794 481 H PHE 62 H PHE 62 0.678 8.579 -3.002 482 HA PHE 62 HA PHE 62 -0.808 8.411 -0.617 483 HB2 PHE 62 2HB PHE 62 1.392 8.587 0.568 484 HB3 PHE 62 1HB PHE 62 1.386 7.405 -0.730 485 HD1 PHE 62 HD1 PHE 62 3.909 7.745 0.026 486 HD2 PHE 62 HD2 PHE 62 1.758 10.587 -2.315 487 HE1 PHE 62 HE1 PHE 62 6.029 8.656 -0.846 488 HE2 PHE 62 HE2 PHE 62 3.867 11.489 -3.174 489 HZ PHE 62 HZ PHE 62 6.007 10.522 -2.444 490 H GLU 63 H GLU 63 0.191 11.151 -2.346 491 HA GLU 63 HA GLU 63 0.042 13.062 -0.125 492 HB2 GLU 63 2HB GLU 63 1.917 12.925 -1.924 493 HB3 GLU 63 1HB GLU 63 0.751 13.568 -3.059 494 HG2 GLU 63 2HG GLU 63 1.623 14.998 -0.540 495 HG3 GLU 63 1HG GLU 63 2.406 15.215 -2.097 496 H ASP 64 H ASP 64 -1.607 11.991 -3.022 497 HA ASP 64 HA ASP 64 -3.515 14.023 -3.390 498 HB2 ASP 64 2HB ASP 64 -3.051 12.217 -5.077 499 HB3 ASP 64 1HB ASP 64 -3.744 11.022 -3.986 500 H VAL 65 H VAL 65 -3.823 10.898 -1.764 501 HA VAL 65 HA VAL 65 -6.393 11.653 -0.523 502 HB VAL 65 HB VAL 65 -6.580 9.183 -0.063 503 HG11 VAL 65 1HG1 VAL 65 -7.043 8.544 -2.389 504 HG12 VAL 65 2HG1 VAL 65 -6.135 9.946 -2.965 505 HG13 VAL 65 3HG1 VAL 65 -7.621 10.174 -2.039 506 HG21 VAL 65 1HG2 VAL 65 -4.173 8.613 -0.017 507 HG22 VAL 65 2HG2 VAL 65 -4.043 8.967 -1.740 508 HG23 VAL 65 3HG2 VAL 65 -5.035 7.614 -1.190 509 H GLY 66 H GLY 66 -3.088 11.045 0.360 510 HA2 GLY 66 2HA GLY 66 -3.742 10.160 3.088 511 HA3 GLY 66 1HA GLY 66 -2.163 10.172 2.337 512 H PHE 67 H PHE 67 -0.854 11.993 2.467 513 HA PHE 67 HA PHE 67 -1.659 14.003 4.502 514 HB2 PHE 67 2HB PHE 67 1.151 13.082 3.691 515 HB3 PHE 67 1HB PHE 67 0.779 14.228 4.973 516 HD1 PHE 67 HD1 PHE 67 -1.643 11.694 5.281 517 HD2 PHE 67 HD2 PHE 67 2.513 12.407 5.924 518 HE1 PHE 67 HE1 PHE 67 -1.588 9.872 6.891 519 HE2 PHE 67 HE2 PHE 67 2.533 10.557 7.553 520 HZ PHE 67 HZ PHE 67 0.503 9.291 8.029 521 H SER 68 H SER 68 0.040 16.016 4.162 522 HA SER 68 HA SER 68 -0.142 17.085 1.482 523 HB2 SER 68 2HB SER 68 1.338 18.909 2.528 524 HB3 SER 68 1HB SER 68 -0.211 18.653 3.324 525 HG SER 68 HG SER 68 2.337 17.764 4.160 526 H THR 69 H THR 69 2.605 18.188 1.377 527 HA THR 69 HA THR 69 3.940 16.292 -0.168 528 HB THR 69 HB THR 69 5.993 17.815 0.179 529 HG1 THR 69 HG1 THR 69 5.861 18.997 1.924 530 HG21 THR 69 1HG2 THR 69 3.401 19.181 -0.656 531 HG22 THR 69 2HG2 THR 69 4.413 18.176 -1.696 532 HG23 THR 69 3HG2 THR 69 5.035 19.706 -1.077 533 H ASP 70 H ASP 70 3.922 16.637 3.278 534 HA ASP 70 HA ASP 70 6.247 15.355 4.127 535 HB2 ASP 70 2HB ASP 70 3.472 15.318 5.405 536 HB3 ASP 70 1HB ASP 70 4.960 14.857 6.225 537 H ALA 71 H ALA 71 3.436 14.005 2.628 538 HA ALA 71 HA ALA 71 3.271 11.389 3.511 539 HB1 ALA 71 1HB ALA 71 2.193 10.881 1.352 540 HB2 ALA 71 2HB ALA 71 2.812 12.390 0.673 541 HB3 ALA 71 3HB ALA 71 1.636 12.430 1.987 542 H ARG 72 H ARG 72 5.628 12.804 1.344 543 HA ARG 72 HA ARG 72 6.680 10.560 0.062 544 HB2 ARG 72 2HB ARG 72 8.043 13.148 0.889 545 HB3 ARG 72 1HB ARG 72 8.761 11.964 -0.191 546 HG2 ARG 72 2HG ARG 72 7.043 12.340 -1.857 547 HG3 ARG 72 1HG ARG 72 6.150 13.403 -0.759 548 HD2 ARG 72 2HD ARG 72 7.505 14.633 -2.480 549 HD3 ARG 72 1HD ARG 72 7.904 15.050 -0.809 550 HE ARG 72 HE ARG 72 9.545 13.020 -2.147 551 HH11 ARG 72 1HH1 ARG 72 9.293 16.341 -0.996 552 HH12 ARG 72 2HH1 ARG 72 11.001 16.627 -1.069 553 HH21 ARG 72 1HH2 ARG 72 11.789 13.374 -2.198 554 HH22 ARG 72 2HH2 ARG 72 12.425 14.928 -1.757 555 H GLU 73 H GLU 73 8.050 12.178 2.972 556 HA GLU 73 HA GLU 73 10.014 10.135 3.397 557 HB2 GLU 73 2HB GLU 73 10.550 11.362 5.489 558 HB3 GLU 73 1HB GLU 73 10.466 12.437 4.096 559 HG2 GLU 73 2HG GLU 73 8.200 13.148 4.796 560 HG3 GLU 73 1HG GLU 73 8.312 12.088 6.195 561 H LEU 74 H LEU 74 6.827 10.829 4.775 562 HA LEU 74 HA LEU 74 6.950 9.106 7.001 563 HB2 LEU 74 2HB LEU 74 4.729 10.511 5.548 564 HB3 LEU 74 1HB LEU 74 4.273 9.187 6.601 565 HG LEU 74 HG LEU 74 4.038 11.252 7.818 566 HD11 LEU 74 1HD1 LEU 74 5.403 10.861 9.799 567 HD12 LEU 74 2HD1 LEU 74 6.471 9.791 8.889 568 HD13 LEU 74 3HD1 LEU 74 4.780 9.348 9.146 569 HD21 LEU 74 1HD2 LEU 74 6.938 11.886 7.229 570 HD22 LEU 74 2HD2 LEU 74 5.871 12.808 8.291 571 HD23 LEU 74 3HD2 LEU 74 5.521 12.707 6.570 572 H SER 75 H SER 75 5.751 8.538 3.683 573 HA SER 75 HA SER 75 4.551 6.027 4.139 574 HB2 SER 75 2HB SER 75 4.710 5.707 1.675 575 HB3 SER 75 1HB SER 75 4.116 7.318 2.083 576 HG SER 75 HG SER 75 5.964 8.203 1.413 577 H LYS 76 H LYS 76 7.851 6.940 3.237 578 HA LYS 76 HA LYS 76 8.881 4.339 2.736 579 HB2 LYS 76 2HB LYS 76 10.478 6.729 3.748 580 HB3 LYS 76 1HB LYS 76 11.092 5.357 2.831 581 HG2 LYS 76 2HG LYS 76 9.241 7.531 1.846 582 HG3 LYS 76 1HG LYS 76 10.925 7.293 1.385 583 HD2 LYS 76 2HD LYS 76 10.360 5.222 0.216 584 HD3 LYS 76 1HD LYS 76 8.692 5.304 0.799 585 HE2 LYS 76 2HE LYS 76 8.347 7.383 -0.486 586 HE3 LYS 76 1HE LYS 76 10.013 7.302 -1.070 587 HZ1 LYS 76 1HZ LYS 76 9.502 5.238 -2.185 588 HZ2 LYS 76 2HZ LYS 76 8.418 6.437 -2.677 589 HZ3 LYS 76 3HZ LYS 76 7.924 5.252 -1.580 590 H LYS 77 H LYS 77 8.516 6.240 5.656 591 HA LYS 77 HA LYS 77 9.936 4.420 7.382 592 HB2 LYS 77 2HB LYS 77 8.030 6.716 8.050 593 HB3 LYS 77 1HB LYS 77 9.098 5.905 9.196 594 HG2 LYS 77 2HG LYS 77 11.075 6.735 8.044 595 HG3 LYS 77 1HG LYS 77 10.080 7.397 6.746 596 HD2 LYS 77 2HD LYS 77 10.777 9.218 8.167 597 HD3 LYS 77 1HD LYS 77 9.047 8.973 8.400 598 HE2 LYS 77 2HE LYS 77 9.493 7.782 10.503 599 HE3 LYS 77 1HE LYS 77 11.232 7.972 10.252 600 HZ1 LYS 77 1HZ LYS 77 9.273 10.182 10.641 601 HZ2 LYS 77 2HZ LYS 77 10.919 10.393 10.335 602 HZ3 LYS 77 3HZ LYS 77 10.417 9.652 11.768 603 H TYR 78 H TYR 78 6.733 4.725 6.155 604 HA TYR 78 HA TYR 78 5.563 2.775 8.000 605 HB2 TYR 78 2HB TYR 78 4.367 4.460 5.772 606 HB3 TYR 78 1HB TYR 78 3.448 3.232 6.635 607 HD1 TYR 78 HD1 TYR 78 1.785 4.925 7.310 608 HD2 TYR 78 HD2 TYR 78 5.868 5.322 8.513 609 HE1 TYR 78 HE1 TYR 78 1.147 6.631 8.958 610 HE2 TYR 78 HE2 TYR 78 5.222 7.024 10.147 611 HH TYR 78 HH TYR 78 2.014 7.616 11.025 612 H ILE 79 H ILE 79 7.667 2.207 5.756 613 HA ILE 79 HA ILE 79 6.395 0.562 3.825 614 HB ILE 79 HB ILE 79 8.732 1.416 3.532 615 HG12 ILE 79 2HG1 ILE 79 8.540 -1.631 3.376 616 HG13 ILE 79 1HG1 ILE 79 7.927 -0.511 2.168 617 HG21 ILE 79 1HG2 ILE 79 9.579 1.097 5.822 618 HG22 ILE 79 2HG2 ILE 79 10.651 0.345 4.640 619 HG23 ILE 79 3HG2 ILE 79 9.556 -0.653 5.598 620 HD11 ILE 79 1HD1 ILE 79 10.011 -1.495 1.453 621 HD12 ILE 79 2HD1 ILE 79 10.828 -0.909 2.902 622 HD13 ILE 79 3HD1 ILE 79 10.215 0.237 1.705 623 H ILE 80 H ILE 80 5.697 -1.541 3.929 624 HA ILE 80 HA ILE 80 6.064 -2.997 6.492 625 HB ILE 80 HB ILE 80 3.731 -2.296 6.063 626 HG12 ILE 80 2HG1 ILE 80 3.987 -5.329 5.906 627 HG13 ILE 80 1HG1 ILE 80 4.263 -4.392 7.369 628 HG21 ILE 80 1HG2 ILE 80 2.371 -3.302 4.284 629 HG22 ILE 80 2HG2 ILE 80 3.799 -4.106 3.633 630 HG23 ILE 80 3HG2 ILE 80 3.692 -2.344 3.611 631 HD11 ILE 80 1HD1 ILE 80 2.066 -5.390 7.379 632 HD12 ILE 80 2HD1 ILE 80 1.654 -4.583 5.866 633 HD13 ILE 80 3HD1 ILE 80 1.942 -3.633 7.327 634 H GLY 81 H GLY 81 6.371 -3.183 3.020 635 HA2 GLY 81 2HA GLY 81 8.217 -5.308 3.093 636 HA3 GLY 81 1HA GLY 81 6.625 -5.978 2.730 637 H GLU 82 H GLU 82 7.477 -6.629 0.717 638 HA GLU 82 HA GLU 82 7.467 -4.474 -1.319 639 HB2 GLU 82 2HB GLU 82 8.673 -5.973 -2.819 640 HB3 GLU 82 1HB GLU 82 9.570 -5.803 -1.312 641 HG2 GLU 82 2HG GLU 82 8.884 -7.999 -0.563 642 HG3 GLU 82 1HG GLU 82 7.758 -8.164 -1.911 643 H LEU 83 H LEU 83 6.040 -4.657 -2.976 644 HA LEU 83 HA LEU 83 4.004 -6.698 -3.041 645 HB2 LEU 83 2HB LEU 83 3.942 -4.140 -3.811 646 HB3 LEU 83 1HB LEU 83 4.595 -4.766 -5.312 647 HG LEU 83 HG LEU 83 2.109 -4.405 -5.324 648 HD11 LEU 83 1HD1 LEU 83 3.082 -5.977 -6.924 649 HD12 LEU 83 2HD1 LEU 83 1.465 -6.467 -6.436 650 HD13 LEU 83 3HD1 LEU 83 2.875 -7.297 -5.773 651 HD21 LEU 83 1HD2 LEU 83 2.025 -6.715 -3.363 652 HD22 LEU 83 2HD2 LEU 83 0.642 -5.894 -4.089 653 HD23 LEU 83 3HD2 LEU 83 1.695 -5.022 -2.982 654 H HIS 84 H HIS 84 3.909 -8.386 -4.602 655 HA HIS 84 HA HIS 84 6.350 -9.494 -5.538 656 HB2 HIS 84 2HB HIS 84 3.447 -10.221 -6.026 657 HB3 HIS 84 1HB HIS 84 4.745 -11.100 -6.823 658 HD1 HIS 84 HD1 HIS 84 3.330 -12.955 -5.322 659 HD2 HIS 84 HD2 HIS 84 6.026 -10.474 -3.379 660 HE1 HIS 84 HE1 HIS 84 3.871 -14.118 -3.165 661 HE2 HIS 84 HE2 HIS 84 5.689 -12.721 -2.152 662 HA PRO 85 HA PRO 85 7.013 -7.334 -9.518 663 HB2 PRO 85 2HB PRO 85 8.193 -10.068 -10.090 664 HB3 PRO 85 1HB PRO 85 8.856 -8.456 -10.447 665 HG2 PRO 85 2HG PRO 85 9.790 -9.829 -8.390 666 HG3 PRO 85 1HG PRO 85 9.509 -8.078 -8.235 667 HD2 PRO 85 2HD PRO 85 7.892 -10.355 -7.134 668 HD3 PRO 85 1HD PRO 85 8.194 -8.744 -6.442 669 H ASP 86 H ASP 86 5.613 -10.585 -9.269 670 HA ASP 86 HA ASP 86 4.592 -10.788 -11.923 671 HB2 ASP 86 2HB ASP 86 4.908 -12.790 -10.513 672 HB3 ASP 86 1HB ASP 86 3.721 -12.198 -9.357 673 H ASP 87 H ASP 87 3.241 -9.740 -8.835 674 HA ASP 87 HA ASP 87 0.518 -9.793 -9.745 675 HB2 ASP 87 2HB ASP 87 1.882 -8.972 -7.171 676 HB3 ASP 87 1HB ASP 87 0.167 -8.649 -7.407 677 H ARG 88 H ARG 88 2.888 -7.199 -9.167 678 HA ARG 88 HA ARG 88 1.057 -5.054 -9.636 679 HB2 ARG 88 2HB ARG 88 3.105 -3.615 -9.866 680 HB3 ARG 88 1HB ARG 88 3.047 -4.567 -8.391 681 HG2 ARG 88 2HG ARG 88 5.272 -4.769 -9.002 682 HG3 ARG 88 1HG ARG 88 4.583 -6.247 -9.668 683 HD2 ARG 88 2HD ARG 88 4.433 -5.051 -11.904 684 HD3 ARG 88 1HD ARG 88 5.335 -3.717 -11.177 685 HE ARG 88 HE ARG 88 6.969 -5.749 -10.669 686 HH11 ARG 88 1HH1 ARG 88 5.335 -4.923 -13.677 687 HH12 ARG 88 2HH1 ARG 88 6.572 -5.620 -14.674 688 HH21 ARG 88 1HH2 ARG 88 8.577 -6.665 -11.998 689 HH22 ARG 88 2HH2 ARG 88 8.396 -6.599 -13.726 690 H SER 89 H SER 89 2.874 -7.143 -11.738 691 HA SER 89 HA SER 89 2.346 -5.638 -14.179 692 HB2 SER 89 2HB SER 89 4.433 -6.986 -13.899 693 HB3 SER 89 1HB SER 89 3.465 -8.455 -13.778 694 HG SER 89 HG SER 89 3.073 -8.391 -15.895 695 H LYS 90 H LYS 90 0.917 -8.224 -12.323 696 HA LYS 90 HA LYS 90 -0.668 -9.395 -14.423 697 HB2 LYS 90 2HB LYS 90 0.104 -10.753 -12.540 698 HB3 LYS 90 1HB LYS 90 -0.723 -9.711 -11.388 699 HG2 LYS 90 2HG LYS 90 -2.911 -10.455 -12.274 700 HG3 LYS 90 1HG LYS 90 -2.083 -11.471 -13.463 701 HD2 LYS 90 2HD LYS 90 -2.846 -12.819 -11.539 702 HD3 LYS 90 1HD LYS 90 -1.085 -12.815 -11.642 703 HE2 LYS 90 2HE LYS 90 -1.026 -11.050 -9.875 704 HE3 LYS 90 1HE LYS 90 -2.783 -11.158 -9.740 705 HZ1 LYS 90 1HZ LYS 90 -0.901 -13.411 -9.248 706 HZ2 LYS 90 2HZ LYS 90 -2.575 -13.442 -9.029 707 HZ3 LYS 90 3HZ LYS 90 -1.613 -12.464 -8.039 708 H ILE 91 H ILE 91 -1.543 -7.613 -11.449 709 HA ILE 91 HA ILE 91 -4.119 -6.811 -12.630 710 HB ILE 91 HB ILE 91 -3.324 -6.320 -9.729 711 HG12 ILE 91 2HG1 ILE 91 -4.355 -8.945 -10.899 712 HG13 ILE 91 1HG1 ILE 91 -2.833 -8.690 -10.065 713 HG21 ILE 91 1HG2 ILE 91 -6.025 -6.847 -11.043 714 HG22 ILE 91 2HG2 ILE 91 -5.412 -5.269 -10.546 715 HG23 ILE 91 3HG2 ILE 91 -5.761 -6.498 -9.333 716 HD11 ILE 91 1HD1 ILE 91 -4.385 -9.843 -8.634 717 HD12 ILE 91 2HD1 ILE 91 -5.576 -8.559 -8.821 718 HD13 ILE 91 3HD1 ILE 91 -4.057 -8.238 -7.980 719 H ALA 92 H ALA 92 -1.650 -5.637 -13.542 720 HA ALA 92 HA ALA 92 -1.165 -3.039 -12.691 721 HB1 ALA 92 1HB ALA 92 0.184 -4.183 -14.391 722 HB2 ALA 92 2HB ALA 92 -0.361 -2.609 -14.972 723 HB3 ALA 92 3HB ALA 92 -1.152 -4.082 -15.541 724 H LYS 93 H LYS 93 -3.760 -4.293 -14.767 725 HA LYS 93 HA LYS 93 -5.197 -1.695 -14.644 726 HB2 LYS 93 2HB LYS 93 -5.716 -4.122 -16.431 727 HB3 LYS 93 1HB LYS 93 -6.642 -2.626 -16.451 728 HG2 LYS 93 2HG LYS 93 -4.804 -1.386 -17.366 729 HG3 LYS 93 1HG LYS 93 -3.683 -2.724 -17.099 730 HD2 LYS 93 2HD LYS 93 -6.040 -2.777 -19.033 731 HD3 LYS 93 1HD LYS 93 -4.355 -2.524 -19.491 732 HE2 LYS 93 2HE LYS 93 -3.775 -4.772 -18.667 733 HE3 LYS 93 1HE LYS 93 -5.442 -5.027 -18.148 734 HZ1 LYS 93 1HZ LYS 93 -4.612 -4.549 -20.958 735 HZ2 LYS 93 2HZ LYS 93 -6.160 -4.960 -20.421 736 HZ3 LYS 93 3HZ LYS 93 -4.898 -6.076 -20.294 737 HA PRO 94 HA PRO 94 -7.545 -4.421 -11.706 738 HB2 PRO 94 2HB PRO 94 -7.734 -2.750 -9.595 739 HB3 PRO 94 1HB PRO 94 -6.216 -3.591 -9.955 740 HG2 PRO 94 2HG PRO 94 -6.953 -0.749 -10.470 741 HG3 PRO 94 1HG PRO 94 -5.399 -1.434 -9.954 742 HD2 PRO 94 2HD PRO 94 -6.073 -0.728 -12.599 743 HD3 PRO 94 1HD PRO 94 -4.713 -1.765 -12.120 744 H SER 95 H SER 95 -9.696 -3.984 -10.580 745 HA SER 95 HA SER 95 -11.476 -2.748 -12.504 746 HB2 SER 95 2HB SER 95 -12.006 -5.011 -11.721 747 HB3 SER 95 1HB SER 95 -12.030 -4.471 -10.038 748 HG SER 95 HG SER 95 -13.710 -2.968 -11.479 749 H GLU 96 H GLU 96 -11.837 -2.747 -8.945 750 HA GLU 96 HA GLU 96 -12.961 -0.048 -9.124 751 HB2 GLU 96 2HB GLU 96 -13.754 -0.558 -6.745 752 HB3 GLU 96 1HB GLU 96 -14.449 -1.517 -8.040 753 HG2 GLU 96 2HG GLU 96 -14.073 -2.966 -6.192 754 HG3 GLU 96 1HG GLU 96 -12.893 -3.377 -7.433 755 H THR 97 H THR 97 -10.052 -1.552 -8.173 756 HA THR 97 HA THR 97 -9.053 0.311 -6.276 757 HB THR 97 HB THR 97 -7.393 -1.253 -8.294 758 HG1 THR 97 HG1 THR 97 -9.095 -2.274 -6.559 759 HG21 THR 97 1HG2 THR 97 -6.750 -0.414 -5.441 760 HG22 THR 97 2HG2 THR 97 -6.118 0.352 -6.902 761 HG23 THR 97 3HG2 THR 97 -5.692 -1.317 -6.524 762 H LEU 98 H LEU 98 -9.171 0.218 -9.774 763 HA LEU 98 HA LEU 98 -7.586 2.622 -10.172 764 HB2 LEU 98 2HB LEU 98 -7.427 0.649 -11.711 765 HB3 LEU 98 1HB LEU 98 -9.107 0.889 -12.160 766 HG LEU 98 HG LEU 98 -8.520 3.078 -13.178 767 HD11 LEU 98 1HD1 LEU 98 -6.615 3.706 -11.779 768 HD12 LEU 98 2HD1 LEU 98 -6.165 3.739 -13.482 769 HD13 LEU 98 3HD1 LEU 98 -5.650 2.394 -12.462 770 HD21 LEU 98 1HD2 LEU 98 -7.307 2.175 -15.125 771 HD22 LEU 98 2HD2 LEU 98 -8.552 1.062 -14.563 772 HD23 LEU 98 3HD2 LEU 98 -6.855 0.748 -14.186 Start of MODEL 6 1 H1 ALA 1 1H ALA 1 11.882 -18.915 14.083 2 H2 ALA 1 2H ALA 1 12.854 -19.905 13.122 3 H3 ALA 1 3H ALA 1 11.414 -20.510 13.774 4 HA ALA 1 HA ALA 1 11.177 -20.009 11.431 5 HB1 ALA 1 1HB ALA 1 9.615 -18.149 13.258 6 HB2 ALA 1 2HB ALA 1 9.215 -19.832 12.912 7 HB3 ALA 1 3HB ALA 1 9.135 -18.626 11.627 8 H GLU 2 H GLU 2 12.680 -19.041 10.128 9 HA GLU 2 HA GLU 2 12.787 -16.082 10.122 10 HB2 GLU 2 2HB GLU 2 15.205 -17.917 9.789 11 HB3 GLU 2 1HB GLU 2 15.215 -16.188 9.456 12 HG2 GLU 2 2HG GLU 2 14.575 -15.807 11.875 13 HG3 GLU 2 1HG GLU 2 14.809 -17.530 12.138 14 H GLN 3 H GLN 3 11.049 -16.619 8.561 15 HA GLN 3 HA GLN 3 11.815 -17.421 5.870 16 HB2 GLN 3 2HB GLN 3 9.522 -17.787 6.798 17 HB3 GLN 3 1HB GLN 3 9.291 -16.050 6.927 18 HG2 GLN 3 2HG GLN 3 8.112 -16.985 4.991 19 HG3 GLN 3 1HG GLN 3 9.346 -15.833 4.490 20 HE21 GLN 3 1HE2 GLN 3 9.929 -19.222 5.426 21 HE22 GLN 3 2HE2 GLN 3 10.435 -19.730 3.857 22 H SER 4 H SER 4 11.565 -15.817 4.018 23 HA SER 4 HA SER 4 12.973 -13.439 4.213 24 HB2 SER 4 2HB SER 4 11.887 -12.886 1.995 25 HB3 SER 4 1HB SER 4 12.592 -14.506 2.078 26 HG SER 4 HG SER 4 9.845 -13.815 2.342 27 H ASP 5 H ASP 5 9.525 -14.041 4.622 28 HA ASP 5 HA ASP 5 8.587 -11.380 4.729 29 HB2 ASP 5 2HB ASP 5 7.412 -13.939 5.869 30 HB3 ASP 5 1HB ASP 5 6.541 -12.416 5.760 31 H LYS 6 H LYS 6 10.357 -13.162 7.074 32 HA LYS 6 HA LYS 6 9.657 -11.765 9.444 33 HB2 LYS 6 2HB LYS 6 10.997 -13.791 9.571 34 HB3 LYS 6 1HB LYS 6 12.264 -13.087 8.576 35 HG2 LYS 6 2HG LYS 6 12.694 -11.431 10.421 36 HG3 LYS 6 1HG LYS 6 11.531 -12.313 11.418 37 HD2 LYS 6 2HD LYS 6 12.916 -14.328 11.319 38 HD3 LYS 6 1HD LYS 6 14.025 -13.545 10.188 39 HE2 LYS 6 2HE LYS 6 14.974 -13.565 12.433 40 HE3 LYS 6 1HE LYS 6 14.641 -11.908 11.928 41 HZ1 LYS 6 1HZ LYS 6 13.974 -12.319 14.219 42 HZ2 LYS 6 2HZ LYS 6 12.909 -13.530 13.717 43 HZ3 LYS 6 3HZ LYS 6 12.638 -11.932 13.262 44 H ASP 7 H ASP 7 12.121 -11.112 6.934 45 HA ASP 7 HA ASP 7 12.801 -8.504 8.056 46 HB2 ASP 7 2HB ASP 7 14.579 -9.897 7.013 47 HB3 ASP 7 1HB ASP 7 13.720 -9.880 5.479 48 H VAL 8 H VAL 8 11.823 -9.520 4.781 49 HA VAL 8 HA VAL 8 10.204 -7.063 4.468 50 HB VAL 8 HB VAL 8 12.111 -6.948 2.996 51 HG11 VAL 8 1HG1 VAL 8 12.785 -9.299 2.949 52 HG12 VAL 8 2HG1 VAL 8 12.684 -8.642 1.315 53 HG13 VAL 8 3HG1 VAL 8 11.403 -9.696 1.925 54 HG21 VAL 8 1HG2 VAL 8 9.992 -6.174 2.027 55 HG22 VAL 8 2HG2 VAL 8 9.695 -7.777 1.353 56 HG23 VAL 8 3HG2 VAL 8 11.060 -6.819 0.779 57 H LYS 9 H LYS 9 8.095 -7.383 4.229 58 HA LYS 9 HA LYS 9 7.011 -10.073 4.146 59 HB2 LYS 9 2HB LYS 9 5.700 -7.348 4.507 60 HB3 LYS 9 1HB LYS 9 4.848 -8.888 4.628 61 HG2 LYS 9 2HG LYS 9 6.338 -9.543 6.511 62 HG3 LYS 9 1HG LYS 9 7.126 -7.966 6.413 63 HD2 LYS 9 2HD LYS 9 5.024 -6.846 7.014 64 HD3 LYS 9 1HD LYS 9 4.173 -8.395 7.015 65 HE2 LYS 9 2HE LYS 9 5.613 -9.169 8.880 66 HE3 LYS 9 1HE LYS 9 6.424 -7.601 8.893 67 HZ1 LYS 9 1HZ LYS 9 4.307 -6.561 9.461 68 HZ2 LYS 9 2HZ LYS 9 4.726 -7.737 10.601 69 HZ3 LYS 9 3HZ LYS 9 3.539 -8.067 9.444 70 H TYR 10 H TYR 10 6.467 -11.047 2.356 71 HA TYR 10 HA TYR 10 6.291 -9.718 -0.215 72 HB2 TYR 10 2HB TYR 10 6.333 -12.609 0.725 73 HB3 TYR 10 1HB TYR 10 5.912 -12.215 -0.935 74 HD1 TYR 10 HD1 TYR 10 8.638 -11.328 1.529 75 HD2 TYR 10 HD2 TYR 10 7.630 -12.374 -2.484 76 HE1 TYR 10 HE1 TYR 10 11.017 -11.296 0.920 77 HE2 TYR 10 HE2 TYR 10 10.008 -12.345 -3.101 78 HH TYR 10 HH TYR 10 12.103 -11.243 -2.253 79 H TYR 11 H TYR 11 4.419 -8.572 -0.237 80 HA TYR 11 HA TYR 11 1.823 -9.674 0.426 81 HB2 TYR 11 2HB TYR 11 2.900 -6.962 -0.346 82 HB3 TYR 11 1HB TYR 11 1.188 -7.264 -0.597 83 HD1 TYR 11 HD1 TYR 11 3.757 -7.775 2.137 84 HD2 TYR 11 HD2 TYR 11 -0.235 -6.619 1.106 85 HE1 TYR 11 HE1 TYR 11 3.277 -7.285 4.498 86 HE2 TYR 11 HE2 TYR 11 -0.697 -6.120 3.461 87 HH TYR 11 HH TYR 11 0.176 -6.841 5.687 88 H THR 12 H THR 12 0.137 -10.025 -0.940 89 HA THR 12 HA THR 12 0.609 -10.008 -3.863 90 HB THR 12 HB THR 12 -1.554 -11.218 -4.061 91 HG1 THR 12 HG1 THR 12 -1.774 -10.477 -1.416 92 HG21 THR 12 1HG2 THR 12 0.439 -12.613 -3.738 93 HG22 THR 12 2HG2 THR 12 -0.978 -13.343 -2.977 94 HG23 THR 12 3HG2 THR 12 0.230 -12.521 -1.986 95 H LEU 13 H LEU 13 -0.538 -8.586 -5.150 96 HA LEU 13 HA LEU 13 -1.810 -6.301 -4.077 97 HB2 LEU 13 2HB LEU 13 -0.598 -6.571 -6.348 98 HB3 LEU 13 1HB LEU 13 -2.103 -7.239 -6.952 99 HG LEU 13 HG LEU 13 -3.266 -5.111 -6.533 100 HD11 LEU 13 1HD1 LEU 13 -2.058 -3.120 -5.727 101 HD12 LEU 13 2HD1 LEU 13 -0.633 -4.107 -5.404 102 HD13 LEU 13 3HD1 LEU 13 -2.127 -4.385 -4.505 103 HD21 LEU 13 1HD2 LEU 13 -0.640 -4.630 -7.988 104 HD22 LEU 13 2HD2 LEU 13 -2.108 -3.662 -8.146 105 HD23 LEU 13 3HD2 LEU 13 -2.096 -5.336 -8.697 106 H GLU 14 H GLU 14 -2.908 -9.452 -4.789 107 HA GLU 14 HA GLU 14 -5.705 -9.044 -5.093 108 HB2 GLU 14 2HB GLU 14 -4.597 -11.153 -5.723 109 HB3 GLU 14 1HB GLU 14 -4.148 -11.453 -4.047 110 HG2 GLU 14 2HG GLU 14 -6.519 -11.656 -3.439 111 HG3 GLU 14 1HG GLU 14 -6.992 -11.313 -5.098 112 H GLU 15 H GLU 15 -3.631 -9.748 -2.266 113 HA GLU 15 HA GLU 15 -5.590 -9.767 -0.244 114 HB2 GLU 15 2HB GLU 15 -3.373 -10.622 0.195 115 HB3 GLU 15 1HB GLU 15 -2.627 -9.072 -0.161 116 HG2 GLU 15 2HG GLU 15 -3.598 -8.108 1.874 117 HG3 GLU 15 1HG GLU 15 -4.444 -9.613 2.212 118 H ILE 16 H ILE 16 -3.805 -7.091 -1.703 119 HA ILE 16 HA ILE 16 -4.781 -5.068 0.097 120 HB ILE 16 HB ILE 16 -3.507 -4.684 -2.656 121 HG12 ILE 16 2HG1 ILE 16 -2.156 -4.838 0.088 122 HG13 ILE 16 1HG1 ILE 16 -2.041 -6.059 -1.174 123 HG21 ILE 16 1HG2 ILE 16 -2.888 -2.451 -1.786 124 HG22 ILE 16 2HG2 ILE 16 -3.735 -2.799 -0.280 125 HG23 ILE 16 3HG2 ILE 16 -4.639 -2.674 -1.789 126 HD11 ILE 16 1HD1 ILE 16 -0.985 -3.244 -1.319 127 HD12 ILE 16 2HD1 ILE 16 -0.907 -4.438 -2.617 128 HD13 ILE 16 3HD1 ILE 16 -0.049 -4.724 -1.105 129 H GLN 17 H GLN 17 -5.762 -6.366 -3.027 130 HA GLN 17 HA GLN 17 -7.798 -4.527 -3.705 131 HB2 GLN 17 2HB GLN 17 -6.937 -6.033 -5.383 132 HB3 GLN 17 1HB GLN 17 -7.360 -7.456 -4.439 133 HG2 GLN 17 2HG GLN 17 -9.729 -7.066 -4.844 134 HG3 GLN 17 1HG GLN 17 -9.373 -5.530 -5.633 135 HE21 GLN 17 1HE2 GLN 17 -10.553 -6.325 -7.448 136 HE22 GLN 17 2HE2 GLN 17 -9.824 -7.422 -8.563 137 H LYS 18 H LYS 18 -7.641 -7.007 -1.277 138 HA LYS 18 HA LYS 18 -10.502 -7.082 -0.731 139 HB2 LYS 18 2HB LYS 18 -8.206 -8.115 0.982 140 HB3 LYS 18 1HB LYS 18 -9.904 -8.553 1.127 141 HG2 LYS 18 2HG LYS 18 -7.995 -9.281 -1.102 142 HG3 LYS 18 1HG LYS 18 -8.751 -10.372 0.059 143 HD2 LYS 18 2HD LYS 18 -10.940 -10.016 -0.955 144 HD3 LYS 18 1HD LYS 18 -10.289 -8.761 -2.013 145 HE2 LYS 18 2HE LYS 18 -8.838 -10.477 -3.093 146 HE3 LYS 18 1HE LYS 18 -9.612 -11.715 -2.095 147 HZ1 LYS 18 1HZ LYS 18 -10.613 -11.557 -4.301 148 HZ2 LYS 18 2HZ LYS 18 -11.010 -9.944 -4.028 149 HZ3 LYS 18 3HZ LYS 18 -11.734 -11.159 -3.100 150 H HIS 19 H HIS 19 -9.276 -4.473 -0.756 151 HA HIS 19 HA HIS 19 -9.134 -3.370 1.862 152 HB2 HIS 19 2HB HIS 19 -9.389 -1.153 0.549 153 HB3 HIS 19 1HB HIS 19 -7.983 -2.138 0.196 154 HD1 HIS 19 HD1 HIS 19 -7.488 -2.299 -2.235 155 HD2 HIS 19 HD2 HIS 19 -11.567 -1.789 -1.564 156 HE1 HIS 19 HE1 HIS 19 -8.555 -2.147 -4.502 157 HE2 HIS 19 HE2 HIS 19 -10.969 -1.700 -4.063 158 H LYS 20 H LYS 20 -11.031 -4.267 2.800 159 HA LYS 20 HA LYS 20 -13.622 -3.000 2.053 160 HB2 LYS 20 2HB LYS 20 -13.221 -5.683 3.453 161 HB3 LYS 20 1HB LYS 20 -14.742 -5.011 2.878 162 HG2 LYS 20 2HG LYS 20 -12.426 -5.896 1.132 163 HG3 LYS 20 1HG LYS 20 -13.912 -6.807 1.402 164 HD2 LYS 20 2HD LYS 20 -15.223 -5.110 0.252 165 HD3 LYS 20 1HD LYS 20 -13.820 -4.046 0.130 166 HE2 LYS 20 2HE LYS 20 -12.720 -5.599 -1.393 167 HE3 LYS 20 1HE LYS 20 -14.026 -6.769 -1.200 168 HZ1 LYS 20 1HZ LYS 20 -14.265 -5.546 -3.251 169 HZ2 LYS 20 2HZ LYS 20 -14.277 -4.073 -2.426 170 HZ3 LYS 20 3HZ LYS 20 -15.542 -5.168 -2.215 171 H ASP 21 H ASP 21 -11.240 -2.462 4.076 172 HA ASP 21 HA ASP 21 -12.828 -1.241 6.115 173 HB2 ASP 21 2HB ASP 21 -12.582 -3.793 6.768 174 HB3 ASP 21 1HB ASP 21 -10.930 -3.362 7.187 175 H SER 22 H SER 22 -11.383 -0.157 7.777 176 HA SER 22 HA SER 22 -9.245 1.281 6.603 177 HB2 SER 22 2HB SER 22 -9.863 1.001 9.575 178 HB3 SER 22 1HB SER 22 -9.049 2.349 8.777 179 HG SER 22 HG SER 22 -10.920 3.085 8.060 180 H LYS 23 H LYS 23 -9.389 -1.576 8.641 181 HA LYS 23 HA LYS 23 -6.675 -1.561 9.523 182 HB2 LYS 23 2HB LYS 23 -7.184 -3.801 10.485 183 HB3 LYS 23 1HB LYS 23 -8.354 -2.571 10.924 184 HG2 LYS 23 2HG LYS 23 -9.730 -4.388 10.510 185 HG3 LYS 23 1HG LYS 23 -9.784 -3.551 8.963 186 HD2 LYS 23 2HD LYS 23 -9.559 -5.957 8.607 187 HD3 LYS 23 1HD LYS 23 -8.093 -5.140 8.063 188 HE2 LYS 23 2HE LYS 23 -7.022 -5.754 10.258 189 HE3 LYS 23 1HE LYS 23 -8.471 -6.678 10.657 190 HZ1 LYS 23 1HZ LYS 23 -6.684 -7.175 8.338 191 HZ2 LYS 23 2HZ LYS 23 -8.073 -8.063 8.715 192 HZ3 LYS 23 3HZ LYS 23 -6.745 -8.091 9.757 193 H SER 24 H SER 24 -8.190 -2.741 6.634 194 HA SER 24 HA SER 24 -5.561 -3.815 5.764 195 HB2 SER 24 2HB SER 24 -8.314 -4.883 5.020 196 HB3 SER 24 1HB SER 24 -6.815 -5.391 4.245 197 HG SER 24 HG SER 24 -6.166 -5.856 6.553 198 H THR 25 H THR 25 -5.118 -1.656 5.132 199 HA THR 25 HA THR 25 -5.995 -1.110 2.380 200 HB THR 25 HB THR 25 -5.783 1.044 4.551 201 HG1 THR 25 HG1 THR 25 -7.770 -0.290 4.479 202 HG21 THR 25 1HG2 THR 25 -5.003 1.869 2.349 203 HG22 THR 25 2HG2 THR 25 -6.539 2.608 2.794 204 HG23 THR 25 3HG2 THR 25 -6.504 1.311 1.603 205 H TRP 26 H TRP 26 -4.188 -1.036 1.163 206 HA TRP 26 HA TRP 26 -1.661 0.068 2.192 207 HB2 TRP 26 2HB TRP 26 -1.868 -2.630 0.763 208 HB3 TRP 26 1HB TRP 26 -0.370 -1.827 1.220 209 HD1 TRP 26 HD TRP 26 0.134 -1.706 3.955 210 HE1 TRP 26 HE1 TRP 26 -0.584 -3.276 5.850 211 HE3 TRP 26 HE3 TRP 26 -3.593 -4.207 1.533 212 HZ2 TRP 26 HZ2 TRP 26 -2.469 -5.358 6.248 213 HZ3 TRP 26 HZ3 TRP 26 -4.797 -5.992 2.721 214 HH2 TRP 26 HH TRP 26 -4.249 -6.555 5.036 215 H VAL 27 H VAL 27 -0.144 0.530 0.362 216 HA VAL 27 HA VAL 27 -1.372 0.703 -2.314 217 HB VAL 27 HB VAL 27 -0.353 2.992 -2.628 218 HG11 VAL 27 1HG1 VAL 27 -2.121 4.268 -1.483 219 HG12 VAL 27 2HG1 VAL 27 -2.495 2.869 -0.471 220 HG13 VAL 27 3HG1 VAL 27 -2.762 2.795 -2.215 221 HG21 VAL 27 1HG2 VAL 27 0.267 4.340 -0.650 222 HG22 VAL 27 2HG2 VAL 27 1.309 2.928 -0.824 223 HG23 VAL 27 3HG2 VAL 27 0.029 2.930 0.390 224 H ILE 28 H ILE 28 0.169 0.674 -4.044 225 HA ILE 28 HA ILE 28 2.936 -0.087 -3.307 226 HB ILE 28 HB ILE 28 2.945 -1.859 -4.973 227 HG12 ILE 28 2HG1 ILE 28 0.427 -2.498 -5.879 228 HG13 ILE 28 1HG1 ILE 28 0.266 -0.752 -5.839 229 HG21 ILE 28 1HG2 ILE 28 0.551 -2.046 -3.125 230 HG22 ILE 28 2HG2 ILE 28 2.222 -2.479 -2.752 231 HG23 ILE 28 3HG2 ILE 28 1.309 -3.418 -3.929 232 HD11 ILE 28 1HD1 ILE 28 0.881 -1.591 -8.053 233 HD12 ILE 28 2HD1 ILE 28 2.345 -2.304 -7.383 234 HD13 ILE 28 3HD1 ILE 28 2.153 -0.551 -7.403 235 H LEU 29 H LEU 29 4.525 0.876 -4.552 236 HA LEU 29 HA LEU 29 3.620 2.870 -6.513 237 HB2 LEU 29 2HB LEU 29 5.641 3.985 -6.244 238 HB3 LEU 29 1HB LEU 29 5.325 3.352 -4.646 239 HG LEU 29 HG LEU 29 7.356 2.254 -6.634 240 HD11 LEU 29 1HD1 LEU 29 9.041 3.075 -5.052 241 HD12 LEU 29 2HD1 LEU 29 7.774 3.744 -4.024 242 HD13 LEU 29 3HD1 LEU 29 8.034 4.398 -5.644 243 HD21 LEU 29 1HD2 LEU 29 6.474 0.417 -5.296 244 HD22 LEU 29 2HD2 LEU 29 6.761 1.325 -3.811 245 HD23 LEU 29 3HD2 LEU 29 8.122 0.796 -4.801 246 H HIS 30 H HIS 30 5.075 -0.231 -6.422 247 HA HIS 30 HA HIS 30 4.776 -0.840 -9.129 248 HB2 HIS 30 2HB HIS 30 6.699 0.631 -9.586 249 HB3 HIS 30 1HB HIS 30 7.666 -0.177 -8.356 250 HD1 HIS 30 HD1 HIS 30 9.237 -1.894 -9.272 251 HD2 HIS 30 HD2 HIS 30 5.967 -1.334 -11.775 252 HE1 HIS 30 HE1 HIS 30 9.632 -3.382 -11.245 253 HE2 HIS 30 HE2 HIS 30 7.761 -2.858 -12.834 254 H HIS 31 H HIS 31 7.378 -1.537 -6.782 255 HA HIS 31 HA HIS 31 6.617 -4.406 -6.718 256 HB2 HIS 31 2HB HIS 31 8.642 -4.124 -8.066 257 HB3 HIS 31 1HB HIS 31 9.386 -3.123 -6.830 258 HD1 HIS 31 HD1 HIS 31 11.110 -4.322 -5.540 259 HD2 HIS 31 HD2 HIS 31 8.107 -6.906 -6.838 260 HE1 HIS 31 HE1 HIS 31 11.772 -6.610 -4.728 261 HE2 HIS 31 HE2 HIS 31 9.819 -8.063 -5.299 262 H LYS 32 H LYS 32 7.065 -1.585 -4.847 263 HA LYS 32 HA LYS 32 7.518 -3.168 -2.370 264 HB2 LYS 32 2HB LYS 32 9.143 -1.238 -2.993 265 HB3 LYS 32 1HB LYS 32 7.809 -0.146 -2.674 266 HG2 LYS 32 2HG LYS 32 9.025 -0.110 -0.677 267 HG3 LYS 32 1HG LYS 32 7.712 -1.236 -0.321 268 HD2 LYS 32 2HD LYS 32 9.744 -2.203 0.536 269 HD3 LYS 32 1HD LYS 32 9.300 -3.127 -0.899 270 HE2 LYS 32 2HE LYS 32 10.963 -1.878 -2.229 271 HE3 LYS 32 1HE LYS 32 11.381 -0.910 -0.812 272 HZ1 LYS 32 1HZ LYS 32 12.041 -3.004 0.297 273 HZ2 LYS 32 2HZ LYS 32 12.994 -2.628 -1.042 274 HZ3 LYS 32 3HZ LYS 32 11.808 -3.830 -1.159 275 H VAL 33 H VAL 33 5.872 -3.268 -0.931 276 HA VAL 33 HA VAL 33 3.456 -1.627 -1.328 277 HB VAL 33 HB VAL 33 3.033 -4.033 -1.219 278 HG11 VAL 33 1HG1 VAL 33 4.946 -4.790 0.083 279 HG12 VAL 33 2HG1 VAL 33 3.452 -5.372 0.811 280 HG13 VAL 33 3HG1 VAL 33 4.309 -4.011 1.532 281 HG21 VAL 33 1HG2 VAL 33 2.030 -2.663 1.306 282 HG22 VAL 33 2HG2 VAL 33 1.323 -4.099 0.559 283 HG23 VAL 33 3HG2 VAL 33 1.297 -2.556 -0.298 284 H TYR 34 H TYR 34 2.639 -0.362 0.286 285 HA TYR 34 HA TYR 34 4.322 0.229 2.644 286 HB2 TYR 34 2HB TYR 34 2.833 2.230 0.869 287 HB3 TYR 34 1HB TYR 34 3.723 2.629 2.338 288 HD1 TYR 34 HD1 TYR 34 6.203 2.500 2.376 289 HD2 TYR 34 HD2 TYR 34 4.027 1.798 -1.231 290 HE1 TYR 34 HE1 TYR 34 8.275 2.767 1.083 291 HE2 TYR 34 HE2 TYR 34 6.097 2.082 -2.524 292 HH TYR 34 HH TYR 34 9.182 2.115 -1.086 293 H ASP 35 H ASP 35 3.172 0.873 4.483 294 HA ASP 35 HA ASP 35 0.580 -0.393 4.719 295 HB2 ASP 35 2HB ASP 35 2.350 -0.827 6.427 296 HB3 ASP 35 1HB ASP 35 2.324 0.877 6.880 297 H LEU 36 H LEU 36 -1.028 0.842 4.005 298 HA LEU 36 HA LEU 36 -1.090 3.717 4.570 299 HB2 LEU 36 2HB LEU 36 -1.782 2.261 2.316 300 HB3 LEU 36 1HB LEU 36 -3.353 2.521 3.044 301 HG LEU 36 HG LEU 36 -2.825 4.248 1.359 302 HD11 LEU 36 1HD1 LEU 36 -2.834 5.443 4.145 303 HD12 LEU 36 2HD1 LEU 36 -4.253 4.871 3.268 304 HD13 LEU 36 3HD1 LEU 36 -3.336 6.240 2.649 305 HD21 LEU 36 1HD2 LEU 36 -1.024 5.861 1.641 306 HD22 LEU 36 2HD2 LEU 36 -0.348 4.237 1.625 307 HD23 LEU 36 3HD2 LEU 36 -0.518 5.097 3.151 308 H THR 37 H THR 37 -2.312 0.787 5.805 309 HA THR 37 HA THR 37 -4.711 1.287 7.001 310 HB THR 37 HB THR 37 -2.313 -0.254 8.066 311 HG1 THR 37 HG1 THR 37 -4.385 -1.763 7.277 312 HG21 THR 37 1HG2 THR 37 -5.186 -0.357 9.071 313 HG22 THR 37 2HG2 THR 37 -3.781 0.184 9.993 314 HG23 THR 37 3HG2 THR 37 -3.922 -1.507 9.507 315 H LYS 38 H LYS 38 -1.495 2.130 8.343 316 HA LYS 38 HA LYS 38 -2.641 3.560 10.608 317 HB2 LYS 38 2HB LYS 38 -0.570 2.233 10.897 318 HB3 LYS 38 1HB LYS 38 0.250 3.214 9.697 319 HG2 LYS 38 2HG LYS 38 1.075 3.932 11.782 320 HG3 LYS 38 1HG LYS 38 -0.037 5.195 11.277 321 HD2 LYS 38 2HD LYS 38 -0.823 2.993 13.226 322 HD3 LYS 38 1HD LYS 38 -0.082 4.502 13.748 323 HE2 LYS 38 2HE LYS 38 -1.979 5.754 12.742 324 HE3 LYS 38 1HE LYS 38 -2.729 4.219 12.301 325 HZ1 LYS 38 1HZ LYS 38 -2.757 3.656 14.692 326 HZ2 LYS 38 2HZ LYS 38 -3.681 5.022 14.334 327 HZ3 LYS 38 3HZ LYS 38 -2.164 5.197 15.055 328 H PHE 39 H PHE 39 -1.329 4.253 7.468 329 HA PHE 39 HA PHE 39 -0.543 6.953 7.797 330 HB2 PHE 39 2HB PHE 39 0.124 5.221 6.001 331 HB3 PHE 39 1HB PHE 39 -1.377 5.622 5.193 332 HD1 PHE 39 HD1 PHE 39 1.985 6.853 6.120 333 HD2 PHE 39 HD2 PHE 39 -1.581 7.725 3.915 334 HE1 PHE 39 HE1 PHE 39 3.166 8.632 4.900 335 HE2 PHE 39 HE2 PHE 39 -0.381 9.512 2.708 336 HZ PHE 39 HZ PHE 39 1.988 9.961 3.194 337 H LEU 40 H LEU 40 -3.620 5.463 6.883 338 HA LEU 40 HA LEU 40 -4.955 7.875 6.110 339 HB2 LEU 40 2HB LEU 40 -6.982 6.531 6.038 340 HB3 LEU 40 1HB LEU 40 -5.657 5.697 5.265 341 HG LEU 40 HG LEU 40 -5.511 4.493 7.707 342 HD11 LEU 40 1HD1 LEU 40 -7.744 3.992 8.591 343 HD12 LEU 40 2HD1 LEU 40 -8.465 5.131 7.451 344 HD13 LEU 40 3HD1 LEU 40 -7.373 5.711 8.710 345 HD21 LEU 40 1HD2 LEU 40 -5.693 3.282 5.595 346 HD22 LEU 40 2HD2 LEU 40 -7.421 3.626 5.515 347 HD23 LEU 40 3HD2 LEU 40 -6.784 2.596 6.799 348 H GLU 41 H GLU 41 -4.366 6.292 9.122 349 HA GLU 41 HA GLU 41 -6.440 7.594 10.648 350 HB2 GLU 41 2HB GLU 41 -4.036 5.910 11.434 351 HB3 GLU 41 1HB GLU 41 -5.186 6.534 12.608 352 HG2 GLU 41 2HG GLU 41 -6.008 4.742 10.307 353 HG3 GLU 41 1HG GLU 41 -5.488 4.120 11.866 354 H GLU 42 H GLU 42 -3.328 8.483 9.602 355 HA GLU 42 HA GLU 42 -2.508 10.107 11.817 356 HB2 GLU 42 2HB GLU 42 -1.535 10.094 8.938 357 HB3 GLU 42 1HB GLU 42 -0.715 10.865 10.287 358 HG2 GLU 42 2HG GLU 42 -1.188 7.898 9.967 359 HG3 GLU 42 1HG GLU 42 0.325 8.734 9.647 360 H TRP 43 H TRP 43 -3.126 11.160 8.448 361 HA TRP 43 HA TRP 43 -4.040 13.777 9.462 362 HB2 TRP 43 2HB TRP 43 -2.871 13.018 6.763 363 HB3 TRP 43 1HB TRP 43 -3.602 14.581 7.081 364 HD1 TRP 43 HD TRP 43 -1.072 12.763 9.415 365 HE1 TRP 43 HE1 TRP 43 1.031 14.243 9.588 366 HE3 TRP 43 HE3 TRP 43 -2.375 16.421 6.088 367 HZ2 TRP 43 HZ2 TRP 43 1.996 16.649 8.477 368 HZ3 TRP 43 HZ3 TRP 43 -0.807 18.279 5.694 369 HH2 TRP 43 HH TRP 43 1.337 18.388 6.864 370 HA PRO 44 HA PRO 44 -7.223 12.891 5.781 371 HB2 PRO 44 2HB PRO 44 -7.282 9.865 5.744 372 HB3 PRO 44 1HB PRO 44 -7.392 11.021 4.393 373 HG2 PRO 44 2HG PRO 44 -5.137 9.680 4.774 374 HG3 PRO 44 1HG PRO 44 -5.084 11.405 4.339 375 HD2 PRO 44 2HD PRO 44 -4.717 10.133 7.050 376 HD3 PRO 44 1HD PRO 44 -3.776 11.431 6.277 377 H GLY 45 H GLY 45 -7.022 10.507 8.404 378 HA2 GLY 45 2HA GLY 45 -8.315 10.241 10.283 379 HA3 GLY 45 1HA GLY 45 -9.411 11.486 9.708 380 H GLY 46 H GLY 46 -9.590 9.867 7.082 381 HA2 GLY 46 2HA GLY 46 -11.341 7.645 7.923 382 HA3 GLY 46 1HA GLY 46 -11.877 8.852 6.745 383 H GLU 47 H GLU 47 -11.335 5.941 6.547 384 HA GLU 47 HA GLU 47 -9.026 5.661 4.855 385 HB2 GLU 47 2HB GLU 47 -9.479 3.343 4.801 386 HB3 GLU 47 1HB GLU 47 -9.877 3.854 6.429 387 HG2 GLU 47 2HG GLU 47 -11.802 3.131 4.204 388 HG3 GLU 47 1HG GLU 47 -11.475 2.219 5.671 389 H GLU 48 H GLU 48 -12.422 6.319 4.349 390 HA GLU 48 HA GLU 48 -13.111 4.958 2.112 391 HB2 GLU 48 2HB GLU 48 -14.773 6.715 1.616 392 HB3 GLU 48 1HB GLU 48 -14.706 6.325 3.329 393 HG2 GLU 48 2HG GLU 48 -13.434 8.362 3.794 394 HG3 GLU 48 1HG GLU 48 -13.361 8.745 2.078 395 H VAL 49 H VAL 49 -11.308 8.025 2.045 396 HA VAL 49 HA VAL 49 -11.531 8.570 -0.717 397 HB VAL 49 HB VAL 49 -11.011 10.308 0.929 398 HG11 VAL 49 1HG1 VAL 49 -9.613 9.009 2.477 399 HG12 VAL 49 2HG1 VAL 49 -8.829 10.524 2.021 400 HG13 VAL 49 3HG1 VAL 49 -8.298 9.003 1.297 401 HG21 VAL 49 1HG2 VAL 49 -9.236 11.527 -0.264 402 HG22 VAL 49 2HG2 VAL 49 -10.329 10.726 -1.396 403 HG23 VAL 49 3HG2 VAL 49 -8.741 10.032 -1.068 404 H LEU 50 H LEU 50 -9.198 6.649 1.064 405 HA LEU 50 HA LEU 50 -7.475 6.283 -1.322 406 HB2 LEU 50 2HB LEU 50 -5.734 5.663 0.510 407 HB3 LEU 50 1HB LEU 50 -6.162 7.342 0.267 408 HG LEU 50 HG LEU 50 -7.861 6.968 2.245 409 HD11 LEU 50 1HD1 LEU 50 -5.948 4.702 2.811 410 HD12 LEU 50 2HD1 LEU 50 -7.655 4.555 2.389 411 HD13 LEU 50 3HD1 LEU 50 -7.190 5.321 3.904 412 HD21 LEU 50 1HD2 LEU 50 -5.985 8.503 2.417 413 HD22 LEU 50 2HD2 LEU 50 -4.880 7.174 2.760 414 HD23 LEU 50 3HD2 LEU 50 -6.142 7.589 3.918 415 H ARG 51 H ARG 51 -9.606 4.685 0.790 416 HA ARG 51 HA ARG 51 -8.461 2.002 0.537 417 HB2 ARG 51 2HB ARG 51 -9.447 2.688 2.676 418 HB3 ARG 51 1HB ARG 51 -10.991 3.016 1.919 419 HG2 ARG 51 2HG ARG 51 -9.963 0.194 1.725 420 HG3 ARG 51 1HG ARG 51 -10.465 0.752 3.319 421 HD2 ARG 51 2HD ARG 51 -12.180 0.766 0.817 422 HD3 ARG 51 1HD ARG 51 -12.303 -0.396 2.144 423 HE ARG 51 HE ARG 51 -12.799 1.666 3.562 424 HH11 ARG 51 1HH1 ARG 51 -13.840 1.349 0.229 425 HH12 ARG 51 2HH1 ARG 51 -15.193 2.415 0.423 426 HH21 ARG 51 1HH2 ARG 51 -14.529 3.133 3.794 427 HH22 ARG 51 2HH2 ARG 51 -15.588 3.432 2.453 428 H GLU 52 H GLU 52 -11.044 3.967 -0.812 429 HA GLU 52 HA GLU 52 -12.374 2.022 -2.372 430 HB2 GLU 52 2HB GLU 52 -13.187 3.902 -3.717 431 HB3 GLU 52 1HB GLU 52 -13.198 4.348 -2.014 432 HG2 GLU 52 2HG GLU 52 -11.088 5.616 -2.328 433 HG3 GLU 52 1HG GLU 52 -11.089 5.180 -4.036 434 H GLN 53 H GLN 53 -9.232 3.425 -2.672 435 HA GLN 53 HA GLN 53 -8.770 2.195 -5.310 436 HB2 GLN 53 2HB GLN 53 -7.604 4.282 -6.007 437 HB3 GLN 53 1HB GLN 53 -9.308 4.562 -5.680 438 HG2 GLN 53 2HG GLN 53 -8.704 6.266 -4.323 439 HG3 GLN 53 1HG GLN 53 -8.033 5.081 -3.212 440 HE21 GLN 53 1HE2 GLN 53 -6.893 6.146 -6.420 441 HE22 GLN 53 2HE2 GLN 53 -5.385 6.743 -5.845 442 H ALA 54 H ALA 54 -8.088 1.218 -2.721 443 HA ALA 54 HA ALA 54 -5.314 1.745 -2.117 444 HB1 ALA 54 1HB ALA 54 -7.113 -0.501 -1.151 445 HB2 ALA 54 2HB ALA 54 -6.913 1.065 -0.363 446 HB3 ALA 54 3HB ALA 54 -5.550 -0.051 -0.463 447 H GLY 55 H GLY 55 -3.521 0.659 -2.779 448 HA2 GLY 55 2HA GLY 55 -2.190 -0.992 -3.743 449 HA3 GLY 55 1HA GLY 55 -3.629 -1.901 -4.178 450 H GLY 56 H GLY 56 -3.790 1.386 -5.081 451 HA2 GLY 56 2HA GLY 56 -3.591 0.747 -7.905 452 HA3 GLY 56 1HA GLY 56 -4.020 2.295 -7.193 453 H ASP 57 H ASP 57 -2.084 3.190 -5.804 454 HA ASP 57 HA ASP 57 0.505 2.829 -6.989 455 HB2 ASP 57 2HB ASP 57 -0.557 4.200 -8.746 456 HB3 ASP 57 1HB ASP 57 -1.021 5.402 -7.547 457 H ALA 58 H ALA 58 2.146 4.107 -6.005 458 HA ALA 58 HA ALA 58 1.554 5.629 -3.569 459 HB1 ALA 58 1HB ALA 58 3.183 4.370 -2.228 460 HB2 ALA 58 2HB ALA 58 3.494 3.273 -3.580 461 HB3 ALA 58 3HB ALA 58 1.912 3.291 -2.802 462 H THR 59 H THR 59 3.070 5.441 -6.506 463 HA THR 59 HA THR 59 5.666 6.497 -5.934 464 HB THR 59 HB THR 59 4.136 6.727 -8.583 465 HG1 THR 59 HG1 THR 59 4.205 4.612 -8.459 466 HG21 THR 59 1HG2 THR 59 6.214 8.074 -8.486 467 HG22 THR 59 2HG2 THR 59 6.380 6.727 -9.614 468 HG23 THR 59 3HG2 THR 59 7.128 6.637 -8.017 469 H GLU 60 H GLU 60 2.642 7.812 -7.160 470 HA GLU 60 HA GLU 60 3.369 10.587 -6.436 471 HB2 GLU 60 2HB GLU 60 1.407 9.639 -8.580 472 HB3 GLU 60 1HB GLU 60 1.948 11.291 -8.297 473 HG2 GLU 60 2HG GLU 60 4.180 10.776 -9.098 474 HG3 GLU 60 1HG GLU 60 3.810 9.056 -9.167 475 H ASN 61 H ASN 61 1.101 7.945 -6.076 476 HA ASN 61 HA ASN 61 -1.238 9.554 -5.586 477 HB2 ASN 61 2HB ASN 61 -1.418 7.379 -6.710 478 HB3 ASN 61 1HB ASN 61 -0.825 6.560 -5.265 479 HD21 ASN 61 1HD2 ASN 61 -2.252 6.224 -3.558 480 HD22 ASN 61 2HD2 ASN 61 -3.932 6.549 -3.657 481 H PHE 62 H PHE 62 1.143 8.037 -3.534 482 HA PHE 62 HA PHE 62 -0.082 7.848 -1.053 483 HB2 PHE 62 2HB PHE 62 2.156 7.985 -0.092 484 HB3 PHE 62 1HB PHE 62 2.279 7.134 -1.630 485 HD1 PHE 62 HD1 PHE 62 3.684 9.743 0.313 486 HD2 PHE 62 HD2 PHE 62 2.841 8.695 -3.733 487 HE1 PHE 62 HE1 PHE 62 5.310 11.392 -0.477 488 HE2 PHE 62 HE2 PHE 62 4.486 10.350 -4.486 489 HZ PHE 62 HZ PHE 62 5.720 11.691 -2.868 490 H GLU 63 H GLU 63 0.962 10.735 -2.754 491 HA GLU 63 HA GLU 63 0.540 12.546 -0.475 492 HB2 GLU 63 2HB GLU 63 2.595 12.751 -1.865 493 HB3 GLU 63 1HB GLU 63 1.610 13.057 -3.289 494 HG2 GLU 63 2HG GLU 63 0.749 15.131 -2.187 495 HG3 GLU 63 1HG GLU 63 1.847 14.829 -0.840 496 H ASP 64 H ASP 64 -0.926 11.480 -3.440 497 HA ASP 64 HA ASP 64 -2.686 13.587 -4.042 498 HB2 ASP 64 2HB ASP 64 -2.231 11.693 -5.605 499 HB3 ASP 64 1HB ASP 64 -3.053 10.588 -4.524 500 H VAL 65 H VAL 65 -3.310 10.556 -2.331 501 HA VAL 65 HA VAL 65 -5.851 11.534 -1.214 502 HB VAL 65 HB VAL 65 -6.187 9.111 -0.588 503 HG11 VAL 65 1HG1 VAL 65 -6.626 8.330 -2.864 504 HG12 VAL 65 2HG1 VAL 65 -5.611 9.616 -3.523 505 HG13 VAL 65 3HG1 VAL 65 -7.106 10.015 -2.668 506 HG21 VAL 65 1HG2 VAL 65 -3.821 8.412 -0.416 507 HG22 VAL 65 2HG2 VAL 65 -3.605 8.647 -2.151 508 HG23 VAL 65 3HG2 VAL 65 -4.690 7.384 -1.558 509 H GLY 66 H GLY 66 -2.620 10.840 -0.289 510 HA2 GLY 66 2HA GLY 66 -3.148 10.300 2.509 511 HA3 GLY 66 1HA GLY 66 -1.581 10.444 1.734 512 H PHE 67 H PHE 67 -0.402 12.180 2.308 513 HA PHE 67 HA PHE 67 -1.708 14.342 3.849 514 HB2 PHE 67 2HB PHE 67 1.277 13.723 3.638 515 HB3 PHE 67 1HB PHE 67 0.507 14.800 4.797 516 HD1 PHE 67 HD1 PHE 67 2.353 13.063 5.919 517 HD2 PHE 67 HD2 PHE 67 -1.677 12.110 4.850 518 HE1 PHE 67 HE1 PHE 67 2.323 11.225 7.557 519 HE2 PHE 67 HE2 PHE 67 -1.677 10.281 6.480 520 HZ PHE 67 HZ PHE 67 0.323 9.834 7.825 521 H SER 68 H SER 68 0.045 16.406 3.619 522 HA SER 68 HA SER 68 -0.033 17.357 0.885 523 HB2 SER 68 2HB SER 68 1.298 18.572 3.352 524 HB3 SER 68 1HB SER 68 0.906 19.416 1.857 525 HG SER 68 HG SER 68 -1.354 18.499 2.471 526 H THR 69 H THR 69 2.680 18.718 1.092 527 HA THR 69 HA THR 69 4.269 16.766 -0.234 528 HB THR 69 HB THR 69 5.302 19.406 0.906 529 HG1 THR 69 HG1 THR 69 3.731 18.878 -1.416 530 HG21 THR 69 1HG2 THR 69 7.034 17.954 -0.105 531 HG22 THR 69 2HG2 THR 69 6.762 19.379 -1.109 532 HG23 THR 69 3HG2 THR 69 6.077 17.821 -1.579 533 H ASP 70 H ASP 70 3.733 17.265 3.058 534 HA ASP 70 HA ASP 70 6.088 16.412 4.317 535 HB2 ASP 70 2HB ASP 70 3.249 15.730 5.239 536 HB3 ASP 70 1HB ASP 70 4.692 15.853 6.243 537 H ALA 71 H ALA 71 3.513 14.666 2.707 538 HA ALA 71 HA ALA 71 3.841 12.069 3.637 539 HB1 ALA 71 1HB ALA 71 2.592 11.372 1.644 540 HB2 ALA 71 2HB ALA 71 2.899 12.937 0.884 541 HB3 ALA 71 3HB ALA 71 1.904 12.839 2.336 542 H ARG 72 H ARG 72 5.910 13.824 1.459 543 HA ARG 72 HA ARG 72 6.986 11.859 -0.182 544 HB2 ARG 72 2HB ARG 72 8.356 14.271 1.061 545 HB3 ARG 72 1HB ARG 72 9.049 13.325 -0.249 546 HG2 ARG 72 2HG ARG 72 6.442 14.879 -0.396 547 HG3 ARG 72 1HG ARG 72 7.996 15.422 -1.024 548 HD2 ARG 72 2HD ARG 72 6.453 12.990 -1.985 549 HD3 ARG 72 1HD ARG 72 6.571 14.545 -2.812 550 HE ARG 72 HE ARG 72 9.170 13.705 -2.439 551 HH11 ARG 72 1HH1 ARG 72 6.365 12.519 -4.226 552 HH12 ARG 72 2HH1 ARG 72 7.320 11.724 -5.434 553 HH21 ARG 72 1HH2 ARG 72 10.422 12.616 -4.004 554 HH22 ARG 72 2HH2 ARG 72 9.630 11.783 -5.306 555 H GLU 73 H GLU 73 8.293 12.904 2.972 556 HA GLU 73 HA GLU 73 10.204 10.750 3.137 557 HB2 GLU 73 2HB GLU 73 10.613 11.667 5.460 558 HB3 GLU 73 1HB GLU 73 10.778 12.862 4.172 559 HG2 GLU 73 2HG GLU 73 8.598 13.819 4.694 560 HG3 GLU 73 1HG GLU 73 8.285 12.545 5.869 561 H LEU 74 H LEU 74 6.953 11.359 4.344 562 HA LEU 74 HA LEU 74 6.888 9.486 6.441 563 HB2 LEU 74 2HB LEU 74 4.807 11.027 4.930 564 HB3 LEU 74 1HB LEU 74 4.252 9.625 5.821 565 HG LEU 74 HG LEU 74 3.954 11.618 7.173 566 HD11 LEU 74 1HD1 LEU 74 5.056 10.956 9.234 567 HD12 LEU 74 2HD1 LEU 74 6.191 9.943 8.342 568 HD13 LEU 74 3HD1 LEU 74 4.471 9.540 8.361 569 HD21 LEU 74 1HD2 LEU 74 6.938 12.121 6.979 570 HD22 LEU 74 2HD2 LEU 74 5.795 13.013 7.987 571 HD23 LEU 74 3HD2 LEU 74 5.660 13.086 6.234 572 H SER 75 H SER 75 5.756 9.127 3.058 573 HA SER 75 HA SER 75 4.691 6.561 3.192 574 HB2 SER 75 2HB SER 75 5.121 6.496 0.707 575 HB3 SER 75 1HB SER 75 4.349 7.988 1.246 576 HG SER 75 HG SER 75 6.201 9.094 0.925 577 H LYS 76 H LYS 76 8.009 7.615 2.635 578 HA LYS 76 HA LYS 76 9.247 5.167 2.035 579 HB2 LYS 76 2HB LYS 76 10.351 7.662 3.384 580 HB3 LYS 76 1HB LYS 76 11.355 6.356 2.771 581 HG2 LYS 76 2HG LYS 76 9.487 8.026 1.059 582 HG3 LYS 76 1HG LYS 76 11.203 8.359 1.267 583 HD2 LYS 76 2HD LYS 76 10.033 5.829 0.047 584 HD3 LYS 76 1HD LYS 76 10.736 7.177 -0.849 585 HE2 LYS 76 2HE LYS 76 12.925 6.756 0.222 586 HE3 LYS 76 1HE LYS 76 12.226 5.406 1.122 587 HZ1 LYS 76 1HZ LYS 76 11.723 4.332 -1.013 588 HZ2 LYS 76 2HZ LYS 76 13.379 4.596 -0.820 589 HZ3 LYS 76 3HZ LYS 76 12.479 5.598 -1.836 590 H LYS 77 H LYS 77 8.433 6.652 5.123 591 HA LYS 77 HA LYS 77 9.896 4.809 6.797 592 HB2 LYS 77 2HB LYS 77 7.735 6.838 7.485 593 HB3 LYS 77 1HB LYS 77 8.722 5.973 8.662 594 HG2 LYS 77 2HG LYS 77 10.757 7.073 7.790 595 HG3 LYS 77 1HG LYS 77 9.787 7.908 6.572 596 HD2 LYS 77 2HD LYS 77 10.274 9.415 8.457 597 HD3 LYS 77 1HD LYS 77 8.543 9.088 8.358 598 HE2 LYS 77 2HE LYS 77 8.756 7.429 10.181 599 HE3 LYS 77 1HE LYS 77 10.488 7.759 10.275 600 HZ1 LYS 77 1HZ LYS 77 10.011 10.011 10.913 601 HZ2 LYS 77 2HZ LYS 77 9.212 8.958 11.961 602 HZ3 LYS 77 3HZ LYS 77 8.353 9.764 10.749 603 H TYR 78 H TYR 78 6.703 4.960 5.429 604 HA TYR 78 HA TYR 78 5.597 2.890 7.172 605 HB2 TYR 78 2HB TYR 78 4.469 4.623 4.952 606 HB3 TYR 78 1HB TYR 78 3.576 3.214 5.518 607 HD1 TYR 78 HD1 TYR 78 5.221 6.324 6.841 608 HD2 TYR 78 HD2 TYR 78 2.100 3.467 7.353 609 HE1 TYR 78 HE1 TYR 78 4.315 7.665 8.685 610 HE2 TYR 78 HE2 TYR 78 1.191 4.804 9.196 611 HH TYR 78 HH TYR 78 2.104 7.967 9.825 612 H ILE 79 H ILE 79 7.866 2.392 5.175 613 HA ILE 79 HA ILE 79 6.953 0.494 3.283 614 HB ILE 79 HB ILE 79 9.194 1.381 3.046 615 HG12 ILE 79 2HG1 ILE 79 9.289 -1.586 3.746 616 HG13 ILE 79 1HG1 ILE 79 8.925 -0.884 2.175 617 HG21 ILE 79 1HG2 ILE 79 9.942 0.152 5.721 618 HG22 ILE 79 2HG2 ILE 79 9.714 1.872 5.399 619 HG23 ILE 79 3HG2 ILE 79 11.040 1.002 4.626 620 HD11 ILE 79 1HD1 ILE 79 11.240 -0.008 2.089 621 HD12 ILE 79 2HD1 ILE 79 11.130 -1.763 2.152 622 HD13 ILE 79 3HD1 ILE 79 11.580 -0.861 3.599 623 H ILE 80 H ILE 80 5.996 -1.424 3.671 624 HA ILE 80 HA ILE 80 6.307 -2.713 6.327 625 HB ILE 80 HB ILE 80 4.031 -1.881 5.832 626 HG12 ILE 80 2HG1 ILE 80 4.044 -4.933 5.910 627 HG13 ILE 80 1HG1 ILE 80 4.415 -3.913 7.296 628 HG21 ILE 80 1HG2 ILE 80 3.968 -3.878 3.552 629 HG22 ILE 80 2HG2 ILE 80 4.000 -2.121 3.394 630 HG23 ILE 80 3HG2 ILE 80 2.602 -2.915 4.124 631 HD11 ILE 80 1HD1 ILE 80 2.165 -2.947 7.179 632 HD12 ILE 80 2HD1 ILE 80 2.142 -4.695 7.406 633 HD13 ILE 80 3HD1 ILE 80 1.787 -4.011 5.820 634 H GLY 81 H GLY 81 6.399 -3.242 2.861 635 HA2 GLY 81 2HA GLY 81 8.301 -5.317 3.017 636 HA3 GLY 81 1HA GLY 81 6.705 -6.047 2.797 637 H GLU 82 H GLU 82 7.605 -6.822 0.740 638 HA GLU 82 HA GLU 82 7.465 -4.765 -1.401 639 HB2 GLU 82 2HB GLU 82 8.783 -6.243 -2.834 640 HB3 GLU 82 1HB GLU 82 9.652 -5.971 -1.327 641 HG2 GLU 82 2HG GLU 82 9.113 -8.180 -0.521 642 HG3 GLU 82 1HG GLU 82 8.004 -8.463 -1.860 643 H LEU 83 H LEU 83 5.952 -4.975 -2.959 644 HA LEU 83 HA LEU 83 3.927 -7.038 -2.853 645 HB2 LEU 83 2HB LEU 83 3.774 -4.500 -3.644 646 HB3 LEU 83 1HB LEU 83 4.310 -5.133 -5.185 647 HG LEU 83 HG LEU 83 1.837 -4.798 -5.036 648 HD11 LEU 83 1HD1 LEU 83 2.679 -6.451 -6.636 649 HD12 LEU 83 2HD1 LEU 83 1.086 -6.868 -6.022 650 HD13 LEU 83 3HD1 LEU 83 2.512 -7.720 -5.422 651 HD21 LEU 83 1HD2 LEU 83 1.540 -5.309 -2.676 652 HD22 LEU 83 2HD2 LEU 83 1.893 -7.012 -2.976 653 HD23 LEU 83 3HD2 LEU 83 0.450 -6.270 -3.673 654 H HIS 84 H HIS 84 3.669 -8.757 -4.388 655 HA HIS 84 HA HIS 84 6.032 -9.896 -5.470 656 HB2 HIS 84 2HB HIS 84 3.124 -10.604 -6.040 657 HB3 HIS 84 1HB HIS 84 4.503 -11.589 -6.508 658 HD1 HIS 84 HD1 HIS 84 2.101 -12.360 -4.523 659 HD2 HIS 84 HD2 HIS 84 5.997 -11.376 -3.486 660 HE1 HIS 84 HE1 HIS 84 2.496 -13.419 -2.281 661 HE2 HIS 84 HE2 HIS 84 4.929 -13.057 -1.843 662 HA PRO 85 HA PRO 85 6.324 -7.794 -9.526 663 HB2 PRO 85 2HB PRO 85 7.522 -10.469 -10.260 664 HB3 PRO 85 1HB PRO 85 8.139 -8.829 -10.571 665 HG2 PRO 85 2HG PRO 85 9.220 -10.317 -8.656 666 HG3 PRO 85 1HG PRO 85 8.966 -8.573 -8.406 667 HD2 PRO 85 2HD PRO 85 7.393 -10.890 -7.315 668 HD3 PRO 85 1HD PRO 85 7.802 -9.340 -6.545 669 H ASP 86 H ASP 86 4.999 -11.030 -9.016 670 HA ASP 86 HA ASP 86 3.767 -11.371 -11.570 671 HB2 ASP 86 2HB ASP 86 4.282 -13.317 -10.202 672 HB3 ASP 86 1HB ASP 86 3.292 -12.719 -8.873 673 H ASP 87 H ASP 87 2.606 -10.346 -8.362 674 HA ASP 87 HA ASP 87 -0.166 -10.256 -9.126 675 HB2 ASP 87 2HB ASP 87 1.336 -9.383 -6.634 676 HB3 ASP 87 1HB ASP 87 -0.391 -9.097 -6.822 677 H ARG 88 H ARG 88 2.406 -7.843 -8.780 678 HA ARG 88 HA ARG 88 0.736 -5.546 -9.154 679 HB2 ARG 88 2HB ARG 88 2.780 -4.252 -9.278 680 HB3 ARG 88 1HB ARG 88 2.973 -5.474 -8.035 681 HG2 ARG 88 2HG ARG 88 5.030 -5.665 -9.036 682 HG3 ARG 88 1HG ARG 88 4.143 -6.828 -10.015 683 HD2 ARG 88 2HD ARG 88 3.764 -4.940 -11.702 684 HD3 ARG 88 1HD ARG 88 4.905 -3.980 -10.760 685 HE ARG 88 HE ARG 88 6.293 -6.249 -11.278 686 HH11 ARG 88 1HH1 ARG 88 4.569 -3.969 -13.364 687 HH12 ARG 88 2HH1 ARG 88 5.606 -4.263 -14.721 688 HH21 ARG 88 1HH2 ARG 88 7.575 -6.666 -13.089 689 HH22 ARG 88 2HH2 ARG 88 7.309 -5.800 -14.556 690 H SER 89 H SER 89 2.105 -7.852 -11.328 691 HA SER 89 HA SER 89 1.689 -6.203 -13.720 692 HB2 SER 89 2HB SER 89 3.772 -7.534 -13.522 693 HB3 SER 89 1HB SER 89 2.831 -9.017 -13.398 694 HG SER 89 HG SER 89 2.085 -7.630 -15.587 695 H LYS 90 H LYS 90 0.226 -8.789 -11.906 696 HA LYS 90 HA LYS 90 -1.541 -9.796 -13.951 697 HB2 LYS 90 2HB LYS 90 -0.839 -11.280 -12.169 698 HB3 LYS 90 1HB LYS 90 -1.422 -10.176 -10.930 699 HG2 LYS 90 2HG LYS 90 -3.755 -10.648 -11.572 700 HG3 LYS 90 1HG LYS 90 -3.195 -11.689 -12.889 701 HD2 LYS 90 2HD LYS 90 -3.875 -13.036 -10.943 702 HD3 LYS 90 1HD LYS 90 -2.153 -13.212 -11.276 703 HE2 LYS 90 2HE LYS 90 -2.117 -11.154 -9.424 704 HE3 LYS 90 1HE LYS 90 -3.511 -12.084 -8.877 705 HZ1 LYS 90 1HZ LYS 90 -0.744 -13.097 -9.247 706 HZ2 LYS 90 2HZ LYS 90 -2.074 -14.078 -8.897 707 HZ3 LYS 90 3HZ LYS 90 -1.577 -12.911 -7.786 708 H ILE 91 H ILE 91 -2.081 -8.038 -10.924 709 HA ILE 91 HA ILE 91 -4.640 -6.947 -11.855 710 HB ILE 91 HB ILE 91 -3.434 -6.584 -9.069 711 HG12 ILE 91 2HG1 ILE 91 -4.942 -9.042 -10.082 712 HG13 ILE 91 1HG1 ILE 91 -3.300 -9.001 -9.473 713 HG21 ILE 91 1HG2 ILE 91 -5.803 -6.484 -8.343 714 HG22 ILE 91 2HG2 ILE 91 -6.325 -6.743 -10.008 715 HG23 ILE 91 3HG2 ILE 91 -5.459 -5.270 -9.577 716 HD11 ILE 91 1HD1 ILE 91 -4.797 -9.994 -7.862 717 HD12 ILE 91 2HD1 ILE 91 -5.799 -8.545 -7.846 718 HD13 ILE 91 3HD1 ILE 91 -4.144 -8.483 -7.231 719 H ALA 92 H ALA 92 -2.042 -6.111 -12.973 720 HA ALA 92 HA ALA 92 -1.228 -3.524 -12.239 721 HB1 ALA 92 1HB ALA 92 0.013 -4.946 -13.812 722 HB2 ALA 92 2HB ALA 92 -0.333 -3.378 -14.541 723 HB3 ALA 92 3HB ALA 92 -1.281 -4.798 -15.001 724 H LYS 93 H LYS 93 -4.050 -4.658 -13.855 725 HA LYS 93 HA LYS 93 -5.086 -1.915 -14.161 726 HB2 LYS 93 2HB LYS 93 -6.651 -2.801 -15.893 727 HB3 LYS 93 1HB LYS 93 -4.976 -2.920 -16.385 728 HG2 LYS 93 2HG LYS 93 -6.601 -5.259 -15.333 729 HG3 LYS 93 1HG LYS 93 -6.434 -4.868 -17.042 730 HD2 LYS 93 2HD LYS 93 -3.987 -5.221 -16.879 731 HD3 LYS 93 1HD LYS 93 -4.162 -5.603 -15.162 732 HE2 LYS 93 2HE LYS 93 -3.966 -7.667 -16.420 733 HE3 LYS 93 1HE LYS 93 -5.605 -7.548 -15.784 734 HZ1 LYS 93 1HZ LYS 93 -5.608 -8.308 -18.068 735 HZ2 LYS 93 2HZ LYS 93 -4.762 -6.933 -18.569 736 HZ3 LYS 93 3HZ LYS 93 -6.337 -6.784 -17.977 737 HA PRO 94 HA PRO 94 -7.187 -4.179 -10.753 738 HB2 PRO 94 2HB PRO 94 -6.949 -2.363 -8.782 739 HB3 PRO 94 1HB PRO 94 -5.563 -3.327 -9.318 740 HG2 PRO 94 2HG PRO 94 -6.190 -0.467 -9.878 741 HG3 PRO 94 1HG PRO 94 -4.618 -1.252 -9.638 742 HD2 PRO 94 2HD PRO 94 -5.781 -0.615 -12.136 743 HD3 PRO 94 1HD PRO 94 -4.392 -1.689 -11.870 744 H SER 95 H SER 95 -9.334 -4.290 -10.618 745 HA SER 95 HA SER 95 -10.934 -2.419 -12.070 746 HB2 SER 95 2HB SER 95 -11.279 -4.860 -12.255 747 HB3 SER 95 1HB SER 95 -11.772 -4.933 -10.562 748 HG SER 95 HG SER 95 -13.292 -3.112 -11.555 749 H GLU 96 H GLU 96 -10.831 -3.456 -8.670 750 HA GLU 96 HA GLU 96 -12.900 -1.539 -7.878 751 HB2 GLU 96 2HB GLU 96 -11.376 -3.575 -6.196 752 HB3 GLU 96 1HB GLU 96 -12.778 -2.644 -5.677 753 HG2 GLU 96 2HG GLU 96 -14.177 -3.805 -7.343 754 HG3 GLU 96 1HG GLU 96 -12.769 -4.728 -7.873 755 H THR 97 H THR 97 -10.319 -0.507 -8.793 756 HA THR 97 HA THR 97 -9.333 0.825 -6.371 757 HB THR 97 HB THR 97 -7.555 -0.712 -8.306 758 HG1 THR 97 HG1 THR 97 -7.258 -1.517 -5.791 759 HG21 THR 97 1HG2 THR 97 -6.809 0.846 -5.823 760 HG22 THR 97 2HG2 THR 97 -6.425 1.301 -7.482 761 HG23 THR 97 3HG2 THR 97 -5.714 -0.150 -6.776 762 H LEU 98 H LEU 98 -8.365 0.469 -9.791 763 HA LEU 98 HA LEU 98 -8.784 3.311 -10.351 764 HB2 LEU 98 2HB LEU 98 -6.072 1.936 -10.626 765 HB3 LEU 98 1HB LEU 98 -6.466 3.441 -11.436 766 HG LEU 98 HG LEU 98 -6.242 3.020 -8.429 767 HD11 LEU 98 1HD1 LEU 98 -4.316 4.543 -8.576 768 HD12 LEU 98 2HD1 LEU 98 -4.496 4.614 -10.332 769 HD13 LEU 98 3HD1 LEU 98 -4.072 3.091 -9.548 770 HD21 LEU 98 1HD2 LEU 98 -8.023 4.638 -8.903 771 HD22 LEU 98 2HD2 LEU 98 -6.934 5.566 -9.933 772 HD23 LEU 98 3HD2 LEU 98 -6.623 5.443 -8.199 Start of MODEL 7 1 H1 ALA 1 1H ALA 1 16.506 -19.284 9.366 2 H2 ALA 1 2H ALA 1 17.333 -19.589 10.809 3 H3 ALA 1 3H ALA 1 16.113 -18.420 10.761 4 HA ALA 1 HA ALA 1 15.706 -21.306 10.274 5 HB1 ALA 1 1HB ALA 1 16.365 -20.921 12.596 6 HB2 ALA 1 2HB ALA 1 14.658 -21.364 12.514 7 HB3 ALA 1 3HB ALA 1 15.124 -19.680 12.764 8 H GLU 2 H GLU 2 14.244 -18.149 11.006 9 HA GLU 2 HA GLU 2 11.591 -18.724 10.171 10 HB2 GLU 2 2HB GLU 2 11.181 -16.353 10.375 11 HB3 GLU 2 1HB GLU 2 12.232 -16.836 11.692 12 HG2 GLU 2 2HG GLU 2 13.208 -15.478 9.159 13 HG3 GLU 2 1HG GLU 2 12.799 -14.629 10.640 14 H GLN 3 H GLN 3 10.581 -17.146 8.447 15 HA GLN 3 HA GLN 3 11.943 -17.450 5.861 16 HB2 GLN 3 2HB GLN 3 9.521 -18.084 6.168 17 HB3 GLN 3 1HB GLN 3 9.146 -16.409 6.543 18 HG2 GLN 3 2HG GLN 3 8.516 -17.002 4.250 19 HG3 GLN 3 1HG GLN 3 9.744 -15.740 4.273 20 HE21 GLN 3 1HE2 GLN 3 9.148 -19.141 3.583 21 HE22 GLN 3 2HE2 GLN 3 10.551 -19.380 2.601 22 H SER 4 H SER 4 11.971 -15.562 4.408 23 HA SER 4 HA SER 4 13.324 -13.311 5.290 24 HB2 SER 4 2HB SER 4 12.756 -12.423 2.983 25 HB3 SER 4 1HB SER 4 13.428 -14.053 2.998 26 HG SER 4 HG SER 4 10.646 -13.440 2.886 27 H ASP 5 H ASP 5 9.919 -13.881 5.238 28 HA ASP 5 HA ASP 5 8.914 -11.255 4.951 29 HB2 ASP 5 2HB ASP 5 7.692 -13.829 5.995 30 HB3 ASP 5 1HB ASP 5 6.768 -12.339 5.832 31 H LYS 6 H LYS 6 10.428 -12.652 7.680 32 HA LYS 6 HA LYS 6 9.252 -11.022 9.722 33 HB2 LYS 6 2HB LYS 6 10.660 -12.924 10.334 34 HB3 LYS 6 1HB LYS 6 12.048 -12.252 9.484 35 HG2 LYS 6 2HG LYS 6 12.190 -10.423 11.113 36 HG3 LYS 6 1HG LYS 6 10.746 -11.008 11.939 37 HD2 LYS 6 2HD LYS 6 13.323 -12.610 11.672 38 HD3 LYS 6 1HD LYS 6 12.923 -11.614 13.072 39 HE2 LYS 6 2HE LYS 6 10.949 -13.016 13.527 40 HE3 LYS 6 1HE LYS 6 11.293 -13.989 12.093 41 HZ1 LYS 6 1HZ LYS 6 12.077 -15.059 14.115 42 HZ2 LYS 6 2HZ LYS 6 13.054 -13.731 14.474 43 HZ3 LYS 6 3HZ LYS 6 13.385 -14.672 13.111 44 H ASP 7 H ASP 7 11.860 -10.599 7.433 45 HA ASP 7 HA ASP 7 12.621 -7.949 8.347 46 HB2 ASP 7 2HB ASP 7 13.614 -9.515 5.925 47 HB3 ASP 7 1HB ASP 7 14.383 -8.121 6.669 48 H VAL 8 H VAL 8 11.307 -9.394 5.346 49 HA VAL 8 HA VAL 8 9.999 -6.862 4.663 50 HB VAL 8 HB VAL 8 12.095 -6.753 3.423 51 HG11 VAL 8 1HG1 VAL 8 11.457 -9.464 2.216 52 HG12 VAL 8 2HG1 VAL 8 12.726 -9.117 3.390 53 HG13 VAL 8 3HG1 VAL 8 12.816 -8.425 1.769 54 HG21 VAL 8 1HG2 VAL 8 9.796 -7.450 1.559 55 HG22 VAL 8 2HG2 VAL 8 11.235 -6.530 1.114 56 HG23 VAL 8 3HG2 VAL 8 10.104 -5.877 2.298 57 H LYS 9 H LYS 9 7.902 -7.334 4.393 58 HA LYS 9 HA LYS 9 7.004 -10.096 4.216 59 HB2 LYS 9 2HB LYS 9 5.422 -7.508 4.503 60 HB3 LYS 9 1HB LYS 9 4.779 -9.136 4.726 61 HG2 LYS 9 2HG LYS 9 6.308 -9.465 6.654 62 HG3 LYS 9 1HG LYS 9 6.923 -7.822 6.435 63 HD2 LYS 9 2HD LYS 9 4.631 -6.936 6.866 64 HD3 LYS 9 1HD LYS 9 4.062 -8.585 7.132 65 HE2 LYS 9 2HE LYS 9 5.663 -8.796 9.034 66 HE3 LYS 9 1HE LYS 9 6.124 -7.106 8.800 67 HZ1 LYS 9 1HZ LYS 9 3.763 -6.512 9.185 68 HZ2 LYS 9 2HZ LYS 9 4.493 -7.237 10.519 69 HZ3 LYS 9 3HZ LYS 9 3.438 -8.129 9.550 70 H TYR 10 H TYR 10 6.445 -11.046 2.389 71 HA TYR 10 HA TYR 10 6.185 -9.626 -0.115 72 HB2 TYR 10 2HB TYR 10 6.106 -12.579 0.635 73 HB3 TYR 10 1HB TYR 10 5.841 -12.003 -1.009 74 HD1 TYR 10 HD1 TYR 10 8.346 -11.693 1.781 75 HD2 TYR 10 HD2 TYR 10 7.693 -11.871 -2.447 76 HE1 TYR 10 HE1 TYR 10 10.767 -11.692 1.421 77 HE2 TYR 10 HE2 TYR 10 10.140 -11.856 -2.806 78 HH TYR 10 HH TYR 10 12.372 -12.385 -0.305 79 H TYR 11 H TYR 11 4.383 -8.612 -0.423 80 HA TYR 11 HA TYR 11 1.760 -9.658 0.382 81 HB2 TYR 11 2HB TYR 11 2.881 -6.953 -0.324 82 HB3 TYR 11 1HB TYR 11 1.195 -7.226 -0.722 83 HD1 TYR 11 HD1 TYR 11 -0.435 -6.797 0.893 84 HD2 TYR 11 HD2 TYR 11 3.583 -7.533 2.191 85 HE1 TYR 11 HE1 TYR 11 -1.087 -6.272 3.185 86 HE2 TYR 11 HE2 TYR 11 2.917 -7.001 4.505 87 HH TYR 11 HH TYR 11 -0.382 -6.687 5.430 88 H THR 12 H THR 12 0.087 -9.990 -1.053 89 HA THR 12 HA THR 12 0.682 -10.001 -3.947 90 HB THR 12 HB THR 12 -1.496 -11.156 -4.209 91 HG1 THR 12 HG1 THR 12 -2.907 -11.333 -2.625 92 HG21 THR 12 1HG2 THR 12 0.178 -12.451 -2.037 93 HG22 THR 12 2HG2 THR 12 0.437 -12.593 -3.778 94 HG23 THR 12 3HG2 THR 12 -1.015 -13.275 -3.044 95 H LEU 13 H LEU 13 -0.375 -8.555 -5.275 96 HA LEU 13 HA LEU 13 -1.479 -6.176 -4.240 97 HB2 LEU 13 2HB LEU 13 -0.350 -6.470 -6.517 98 HB3 LEU 13 1HB LEU 13 -1.850 -7.180 -7.093 99 HG LEU 13 HG LEU 13 -3.045 -5.058 -6.674 100 HD11 LEU 13 1HD1 LEU 13 -0.387 -3.976 -5.672 101 HD12 LEU 13 2HD1 LEU 13 -1.849 -4.251 -4.714 102 HD13 LEU 13 3HD1 LEU 13 -1.843 -3.024 -5.974 103 HD21 LEU 13 1HD2 LEU 13 -0.490 -4.577 -8.256 104 HD22 LEU 13 2HD2 LEU 13 -1.995 -3.663 -8.395 105 HD23 LEU 13 3HD2 LEU 13 -1.951 -5.357 -8.870 106 H GLU 14 H GLU 14 -2.803 -9.235 -5.279 107 HA GLU 14 HA GLU 14 -5.538 -8.724 -5.473 108 HB2 GLU 14 2HB GLU 14 -4.452 -10.904 -6.058 109 HB3 GLU 14 1HB GLU 14 -4.219 -11.241 -4.344 110 HG2 GLU 14 2HG GLU 14 -6.719 -11.157 -4.055 111 HG3 GLU 14 1HG GLU 14 -6.875 -10.979 -5.802 112 H GLU 15 H GLU 15 -3.545 -9.406 -2.585 113 HA GLU 15 HA GLU 15 -5.643 -9.555 -0.690 114 HB2 GLU 15 2HB GLU 15 -3.146 -10.188 -0.392 115 HB3 GLU 15 1HB GLU 15 -2.866 -8.488 -0.038 116 HG2 GLU 15 2HG GLU 15 -3.069 -9.727 2.036 117 HG3 GLU 15 1HG GLU 15 -4.451 -8.645 1.868 118 H ILE 16 H ILE 16 -3.840 -6.864 -2.014 119 HA ILE 16 HA ILE 16 -4.940 -4.839 -0.280 120 HB ILE 16 HB ILE 16 -3.491 -4.374 -2.930 121 HG12 ILE 16 2HG1 ILE 16 -2.200 -4.821 -0.181 122 HG13 ILE 16 1HG1 ILE 16 -2.144 -5.961 -1.521 123 HG21 ILE 16 1HG2 ILE 16 -3.669 -2.707 -0.389 124 HG22 ILE 16 2HG2 ILE 16 -4.556 -2.407 -1.886 125 HG23 ILE 16 3HG2 ILE 16 -2.799 -2.264 -1.859 126 HD11 ILE 16 1HD1 ILE 16 -0.929 -3.206 -1.499 127 HD12 ILE 16 2HD1 ILE 16 -0.876 -4.352 -2.843 128 HD13 ILE 16 3HD1 ILE 16 -0.074 -4.737 -1.320 129 H GLN 17 H GLN 17 -5.848 -6.244 -3.402 130 HA GLN 17 HA GLN 17 -7.608 -4.173 -4.305 131 HB2 GLN 17 2HB GLN 17 -7.773 -7.139 -5.006 132 HB3 GLN 17 1HB GLN 17 -8.544 -5.818 -5.878 133 HG2 GLN 17 2HG GLN 17 -5.607 -6.462 -5.721 134 HG3 GLN 17 1HG GLN 17 -6.638 -6.514 -7.138 135 HE21 GLN 17 1HE2 GLN 17 -4.787 -4.460 -5.003 136 HE22 GLN 17 2HE2 GLN 17 -4.883 -3.028 -5.968 137 H LYS 18 H LYS 18 -7.863 -6.635 -1.935 138 HA LYS 18 HA LYS 18 -10.749 -6.755 -1.718 139 HB2 LYS 18 2HB LYS 18 -8.544 -7.660 0.189 140 HB3 LYS 18 1HB LYS 18 -10.236 -8.147 0.281 141 HG2 LYS 18 2HG LYS 18 -10.058 -9.354 -1.824 142 HG3 LYS 18 1HG LYS 18 -8.416 -8.757 -2.068 143 HD2 LYS 18 2HD LYS 18 -7.714 -9.992 0.007 144 HD3 LYS 18 1HD LYS 18 -9.342 -10.675 0.105 145 HE2 LYS 18 2HE LYS 18 -9.021 -11.733 -2.121 146 HE3 LYS 18 1HE LYS 18 -7.395 -11.048 -2.203 147 HZ1 LYS 18 1HZ LYS 18 -8.351 -13.008 -0.181 148 HZ2 LYS 18 2HZ LYS 18 -6.795 -12.344 -0.238 149 HZ3 LYS 18 3HZ LYS 18 -7.341 -13.341 -1.495 150 H HIS 19 H HIS 19 -9.743 -4.057 -1.598 151 HA HIS 19 HA HIS 19 -9.530 -3.162 1.133 152 HB2 HIS 19 2HB HIS 19 -9.350 -0.861 -0.023 153 HB3 HIS 19 1HB HIS 19 -8.069 -2.023 -0.303 154 HD1 HIS 19 HD1 HIS 19 -7.269 -1.810 -2.624 155 HD2 HIS 19 HD2 HIS 19 -11.392 -1.287 -2.424 156 HE1 HIS 19 HE1 HIS 19 -8.009 -1.293 -4.953 157 HE2 HIS 19 HE2 HIS 19 -10.438 -0.748 -4.768 158 H LYS 20 H LYS 20 -11.602 -3.982 1.723 159 HA LYS 20 HA LYS 20 -13.891 -2.169 1.147 160 HB2 LYS 20 2HB LYS 20 -13.766 -5.080 2.085 161 HB3 LYS 20 1HB LYS 20 -15.222 -4.109 2.252 162 HG2 LYS 20 2HG LYS 20 -15.470 -5.480 0.303 163 HG3 LYS 20 1HG LYS 20 -15.272 -3.811 -0.230 164 HD2 LYS 20 2HD LYS 20 -12.867 -4.310 -0.734 165 HD3 LYS 20 1HD LYS 20 -13.154 -5.995 -0.290 166 HE2 LYS 20 2HE LYS 20 -13.222 -5.691 -2.733 167 HE3 LYS 20 1HE LYS 20 -14.797 -6.196 -2.119 168 HZ1 LYS 20 1HZ LYS 20 -15.580 -3.937 -2.282 169 HZ2 LYS 20 2HZ LYS 20 -14.927 -4.406 -3.772 170 HZ3 LYS 20 3HZ LYS 20 -14.049 -3.393 -2.751 171 H ASP 21 H ASP 21 -11.453 -2.134 3.154 172 HA ASP 21 HA ASP 21 -12.908 -1.372 5.582 173 HB2 ASP 21 2HB ASP 21 -10.690 -3.478 5.597 174 HB3 ASP 21 1HB ASP 21 -11.477 -2.805 7.017 175 H SER 22 H SER 22 -11.365 -0.413 7.206 176 HA SER 22 HA SER 22 -9.299 1.186 5.992 177 HB2 SER 22 2HB SER 22 -8.848 1.791 8.500 178 HB3 SER 22 1HB SER 22 -10.350 2.327 7.758 179 HG SER 22 HG SER 22 -10.051 0.848 9.923 180 H LYS 23 H LYS 23 -9.387 -1.772 8.053 181 HA LYS 23 HA LYS 23 -6.552 -1.878 8.398 182 HB2 LYS 23 2HB LYS 23 -6.759 -4.100 9.318 183 HB3 LYS 23 1HB LYS 23 -8.009 -3.073 9.987 184 HG2 LYS 23 2HG LYS 23 -8.783 -4.739 7.627 185 HG3 LYS 23 1HG LYS 23 -8.452 -5.598 9.131 186 HD2 LYS 23 2HD LYS 23 -10.119 -4.093 10.280 187 HD3 LYS 23 1HD LYS 23 -10.512 -3.401 8.699 188 HE2 LYS 23 2HE LYS 23 -12.108 -5.180 9.467 189 HE3 LYS 23 1HE LYS 23 -11.359 -5.519 7.908 190 HZ1 LYS 23 1HZ LYS 23 -10.615 -6.721 10.527 191 HZ2 LYS 23 2HZ LYS 23 -9.794 -7.002 9.076 192 HZ3 LYS 23 3HZ LYS 23 -11.402 -7.491 9.243 193 H SER 24 H SER 24 -8.649 -2.962 5.848 194 HA SER 24 HA SER 24 -6.384 -4.188 4.408 195 HB2 SER 24 2HB SER 24 -8.540 -5.439 4.380 196 HB3 SER 24 1HB SER 24 -9.328 -4.064 3.610 197 HG SER 24 HG SER 24 -8.669 -5.644 2.098 198 H THR 25 H THR 25 -5.325 -2.094 4.323 199 HA THR 25 HA THR 25 -5.878 -0.765 1.793 200 HB THR 25 HB THR 25 -5.668 0.902 4.361 201 HG1 THR 25 HG1 THR 25 -7.771 -0.024 4.002 202 HG21 THR 25 1HG2 THR 25 -6.035 1.789 1.467 203 HG22 THR 25 2HG2 THR 25 -4.567 1.994 2.424 204 HG23 THR 25 3HG2 THR 25 -6.042 2.843 2.882 205 H TRP 26 H TRP 26 -3.961 -0.853 0.794 206 HA TRP 26 HA TRP 26 -1.470 0.005 2.094 207 HB2 TRP 26 2HB TRP 26 -1.708 -2.661 0.593 208 HB3 TRP 26 1HB TRP 26 -0.202 -1.930 1.138 209 HD1 TRP 26 HD TRP 26 0.210 -1.895 3.869 210 HE1 TRP 26 HE1 TRP 26 -0.698 -3.409 5.730 211 HE3 TRP 26 HE3 TRP 26 -3.605 -4.113 1.307 212 HZ2 TRP 26 HZ2 TRP 26 -2.746 -5.317 6.062 213 HZ3 TRP 26 HZ3 TRP 26 -4.992 -5.789 2.457 214 HH2 TRP 26 HH TRP 26 -4.568 -6.381 4.793 215 H VAL 27 H VAL 27 0.243 0.435 0.325 216 HA VAL 27 HA VAL 27 -0.915 0.845 -2.367 217 HB VAL 27 HB VAL 27 0.267 3.083 -2.526 218 HG11 VAL 27 1HG1 VAL 27 -2.162 3.013 -2.277 219 HG12 VAL 27 2HG1 VAL 27 -1.503 4.395 -1.405 220 HG13 VAL 27 3HG1 VAL 27 -2.016 2.956 -0.518 221 HG21 VAL 27 1HG2 VAL 27 0.852 4.288 -0.441 222 HG22 VAL 27 2HG2 VAL 27 1.826 2.833 -0.652 223 HG23 VAL 27 3HG2 VAL 27 0.490 2.836 0.499 224 H ILE 28 H ILE 28 0.643 0.899 -4.082 225 HA ILE 28 HA ILE 28 3.332 -0.107 -3.381 226 HB ILE 28 HB ILE 28 3.243 -1.825 -5.090 227 HG12 ILE 28 2HG1 ILE 28 0.668 -2.269 -6.018 228 HG13 ILE 28 1HG1 ILE 28 0.679 -0.515 -5.978 229 HG21 ILE 28 1HG2 ILE 28 1.507 -3.327 -4.110 230 HG22 ILE 28 2HG2 ILE 28 0.815 -1.941 -3.268 231 HG23 ILE 28 3HG2 ILE 28 2.456 -2.477 -2.893 232 HD11 ILE 28 1HD1 ILE 28 2.636 -2.252 -7.488 233 HD12 ILE 28 2HD1 ILE 28 2.585 -0.487 -7.526 234 HD13 ILE 28 3HD1 ILE 28 1.242 -1.428 -8.182 235 H LEU 29 H LEU 29 4.915 1.057 -4.358 236 HA LEU 29 HA LEU 29 4.184 3.137 -6.261 237 HB2 LEU 29 2HB LEU 29 6.280 4.094 -5.905 238 HB3 LEU 29 1HB LEU 29 5.906 3.374 -4.355 239 HG LEU 29 HG LEU 29 7.850 2.226 -6.412 240 HD11 LEU 29 1HD1 LEU 29 8.728 4.257 -5.367 241 HD12 LEU 29 2HD1 LEU 29 9.610 2.840 -4.808 242 HD13 LEU 29 3HD1 LEU 29 8.405 3.597 -3.761 243 HD21 LEU 29 1HD2 LEU 29 8.496 0.632 -4.659 244 HD22 LEU 29 2HD2 LEU 29 6.807 0.432 -5.115 245 HD23 LEU 29 3HD2 LEU 29 7.220 1.255 -3.608 246 H HIS 30 H HIS 30 5.418 -0.040 -6.367 247 HA HIS 30 HA HIS 30 5.105 -0.451 -9.102 248 HB2 HIS 30 2HB HIS 30 7.126 0.899 -9.468 249 HB3 HIS 30 1HB HIS 30 8.036 -0.052 -8.297 250 HD1 HIS 30 HD1 HIS 30 9.513 -1.737 -9.368 251 HD2 HIS 30 HD2 HIS 30 6.164 -0.934 -11.697 252 HE1 HIS 30 HE1 HIS 30 9.798 -3.103 -11.456 253 HE2 HIS 30 HE2 HIS 30 7.869 -2.437 -12.919 254 H HIS 31 H HIS 31 7.474 -1.442 -6.589 255 HA HIS 31 HA HIS 31 6.499 -4.240 -6.715 256 HB2 HIS 31 2HB HIS 31 8.419 -4.050 -8.250 257 HB3 HIS 31 1HB HIS 31 9.396 -3.302 -6.995 258 HD1 HIS 31 HD1 HIS 31 10.901 -4.851 -5.782 259 HD2 HIS 31 HD2 HIS 31 7.696 -6.856 -7.499 260 HE1 HIS 31 HE1 HIS 31 11.303 -7.287 -5.324 261 HE2 HIS 31 HE2 HIS 31 9.215 -8.420 -6.117 262 H LYS 32 H LYS 32 7.215 -1.601 -4.752 263 HA LYS 32 HA LYS 32 7.648 -3.311 -2.352 264 HB2 LYS 32 2HB LYS 32 9.393 -1.477 -2.900 265 HB3 LYS 32 1HB LYS 32 8.139 -0.304 -2.558 266 HG2 LYS 32 2HG LYS 32 9.488 -0.450 -0.603 267 HG3 LYS 32 1HG LYS 32 7.973 -1.276 -0.224 268 HD2 LYS 32 2HD LYS 32 9.790 -2.610 0.645 269 HD3 LYS 32 1HD LYS 32 9.107 -3.461 -0.738 270 HE2 LYS 32 2HE LYS 32 10.978 -2.553 -2.144 271 HE3 LYS 32 1HE LYS 32 11.683 -1.855 -0.684 272 HZ1 LYS 32 1HZ LYS 32 11.202 -4.746 -1.185 273 HZ2 LYS 32 2HZ LYS 32 11.815 -4.101 0.247 274 HZ3 LYS 32 3HZ LYS 32 12.698 -3.964 -1.180 275 H VAL 33 H VAL 33 6.010 -3.355 -0.873 276 HA VAL 33 HA VAL 33 3.651 -1.636 -1.275 277 HB VAL 33 HB VAL 33 3.244 -4.068 -1.240 278 HG11 VAL 33 1HG1 VAL 33 3.472 -5.406 0.824 279 HG12 VAL 33 2HG1 VAL 33 4.282 -4.050 1.608 280 HG13 VAL 33 3HG1 VAL 33 5.026 -4.839 0.217 281 HG21 VAL 33 1HG2 VAL 33 1.392 -4.128 0.399 282 HG22 VAL 33 2HG2 VAL 33 1.432 -2.602 -0.485 283 HG23 VAL 33 3HG2 VAL 33 2.031 -2.673 1.173 284 H TYR 34 H TYR 34 2.797 -0.407 0.365 285 HA TYR 34 HA TYR 34 4.437 0.112 2.773 286 HB2 TYR 34 2HB TYR 34 2.978 2.170 1.040 287 HB3 TYR 34 1HB TYR 34 3.885 2.522 2.509 288 HD1 TYR 34 HD1 TYR 34 4.146 1.738 -1.093 289 HD2 TYR 34 HD2 TYR 34 6.360 2.416 2.505 290 HE1 TYR 34 HE1 TYR 34 6.199 2.059 -2.406 291 HE2 TYR 34 HE2 TYR 34 8.403 2.732 1.187 292 HH TYR 34 HH TYR 34 9.273 2.072 -1.036 293 H ASP 35 H ASP 35 3.232 0.799 4.591 294 HA ASP 35 HA ASP 35 0.686 -0.612 4.748 295 HB2 ASP 35 2HB ASP 35 2.582 -1.016 6.387 296 HB3 ASP 35 1HB ASP 35 2.348 0.620 6.996 297 H LEU 36 H LEU 36 -0.819 0.712 3.850 298 HA LEU 36 HA LEU 36 -0.909 3.568 4.499 299 HB2 LEU 36 2HB LEU 36 -1.265 2.240 2.128 300 HB3 LEU 36 1HB LEU 36 -2.934 2.375 2.630 301 HG LEU 36 HG LEU 36 -2.252 4.184 1.071 302 HD11 LEU 36 1HD1 LEU 36 -2.874 5.301 3.811 303 HD12 LEU 36 2HD1 LEU 36 -4.049 4.658 2.663 304 HD13 LEU 36 3HD1 LEU 36 -3.130 6.105 2.257 305 HD21 LEU 36 1HD2 LEU 36 -0.344 5.118 3.241 306 HD22 LEU 36 2HD2 LEU 36 -0.667 5.928 1.705 307 HD23 LEU 36 3HD2 LEU 36 0.123 4.357 1.721 308 H THR 37 H THR 37 -2.307 0.686 5.566 309 HA THR 37 HA THR 37 -4.863 1.533 6.396 310 HB THR 37 HB THR 37 -4.637 -0.794 6.255 311 HG1 THR 37 HG1 THR 37 -5.727 -0.015 8.188 312 HG21 THR 37 1HG2 THR 37 -2.196 -1.011 6.403 313 HG22 THR 37 2HG2 THR 37 -3.009 -2.163 7.464 314 HG23 THR 37 3HG2 THR 37 -2.270 -0.710 8.140 315 H LYS 38 H LYS 38 -1.717 1.645 8.073 316 HA LYS 38 HA LYS 38 -2.875 2.835 10.493 317 HB2 LYS 38 2HB LYS 38 -0.936 1.233 10.556 318 HB3 LYS 38 1HB LYS 38 0.037 2.399 9.678 319 HG2 LYS 38 2HG LYS 38 0.668 2.404 11.993 320 HG3 LYS 38 1HG LYS 38 -0.092 3.943 11.617 321 HD2 LYS 38 2HD LYS 38 -1.864 1.800 12.766 322 HD3 LYS 38 1HD LYS 38 -0.666 2.504 13.847 323 HE2 LYS 38 2HE LYS 38 -1.580 4.724 13.512 324 HE3 LYS 38 1HE LYS 38 -2.682 4.127 12.268 325 HZ1 LYS 38 1HZ LYS 38 -2.738 3.284 15.116 326 HZ2 LYS 38 2HZ LYS 38 -3.845 2.841 13.916 327 HZ3 LYS 38 3HZ LYS 38 -3.757 4.448 14.436 328 H PHE 39 H PHE 39 -1.364 3.780 7.525 329 HA PHE 39 HA PHE 39 -0.509 6.421 8.046 330 HB2 PHE 39 2HB PHE 39 0.143 4.959 6.095 331 HB3 PHE 39 1HB PHE 39 -1.451 5.195 5.415 332 HD1 PHE 39 HD1 PHE 39 1.915 6.423 5.529 333 HD2 PHE 39 HD2 PHE 39 -2.095 7.649 4.703 334 HE1 PHE 39 HE1 PHE 39 2.764 8.283 4.176 335 HE2 PHE 39 HE2 PHE 39 -1.223 9.525 3.363 336 HZ PHE 39 HZ PHE 39 1.209 9.821 3.079 337 H LEU 40 H LEU 40 -3.639 5.084 6.952 338 HA LEU 40 HA LEU 40 -4.861 7.608 6.429 339 HB2 LEU 40 2HB LEU 40 -6.958 6.421 6.184 340 HB3 LEU 40 1HB LEU 40 -5.664 5.569 5.373 341 HG LEU 40 HG LEU 40 -5.671 4.135 7.666 342 HD11 LEU 40 1HD1 LEU 40 -7.932 3.721 8.491 343 HD12 LEU 40 2HD1 LEU 40 -8.569 5.000 7.453 344 HD13 LEU 40 3HD1 LEU 40 -7.453 5.396 8.764 345 HD21 LEU 40 1HD2 LEU 40 -5.896 3.153 5.450 346 HD22 LEU 40 2HD2 LEU 40 -7.591 3.641 5.370 347 HD23 LEU 40 3HD2 LEU 40 -7.069 2.444 6.559 348 H GLU 41 H GLU 41 -4.722 5.530 9.282 349 HA GLU 41 HA GLU 41 -6.633 6.933 10.852 350 HB2 GLU 41 2HB GLU 41 -4.323 5.157 11.728 351 HB3 GLU 41 1HB GLU 41 -5.643 5.685 12.768 352 HG2 GLU 41 2HG GLU 41 -7.258 4.472 11.341 353 HG3 GLU 41 1HG GLU 41 -5.938 3.945 10.300 354 H GLU 42 H GLU 42 -3.456 7.818 9.946 355 HA GLU 42 HA GLU 42 -2.597 9.258 12.240 356 HB2 GLU 42 2HB GLU 42 -1.848 9.642 9.315 357 HB3 GLU 42 1HB GLU 42 -0.985 10.353 10.664 358 HG2 GLU 42 2HG GLU 42 -1.225 7.403 10.044 359 HG3 GLU 42 1HG GLU 42 0.191 8.408 9.772 360 H TRP 43 H TRP 43 -3.567 10.751 9.099 361 HA TRP 43 HA TRP 43 -4.220 13.204 10.586 362 HB2 TRP 43 2HB TRP 43 -3.583 12.794 7.641 363 HB3 TRP 43 1HB TRP 43 -4.150 14.318 8.296 364 HD1 TRP 43 HD TRP 43 -1.396 12.147 9.966 365 HE1 TRP 43 HE1 TRP 43 0.785 13.500 9.930 366 HE3 TRP 43 HE3 TRP 43 -2.981 16.133 7.193 367 HZ2 TRP 43 HZ2 TRP 43 1.712 15.958 8.867 368 HZ3 TRP 43 HZ3 TRP 43 -1.390 17.943 6.693 369 HH2 TRP 43 HH TRP 43 0.913 17.856 7.511 370 HA PRO 44 HA PRO 44 -8.166 13.148 7.986 371 HB2 PRO 44 2HB PRO 44 -8.796 11.356 6.065 372 HB3 PRO 44 1HB PRO 44 -7.618 12.652 5.768 373 HG2 PRO 44 2HG PRO 44 -7.122 9.758 6.384 374 HG3 PRO 44 1HG PRO 44 -6.312 10.807 5.197 375 HD2 PRO 44 2HD PRO 44 -5.296 10.228 7.721 376 HD3 PRO 44 1HD PRO 44 -4.856 11.666 6.773 377 H GLY 45 H GLY 45 -7.326 9.785 8.796 378 HA2 GLY 45 2HA GLY 45 -8.407 8.136 9.943 379 HA3 GLY 45 1HA GLY 45 -9.619 9.308 10.425 380 H GLY 46 H GLY 46 -9.823 9.673 7.262 381 HA2 GLY 46 2HA GLY 46 -12.120 7.875 7.073 382 HA3 GLY 46 1HA GLY 46 -11.801 9.303 6.094 383 H GLU 47 H GLU 47 -11.241 5.924 6.473 384 HA GLU 47 HA GLU 47 -9.086 5.482 4.782 385 HB2 GLU 47 2HB GLU 47 -9.811 3.170 4.613 386 HB3 GLU 47 1HB GLU 47 -10.067 3.736 6.250 387 HG2 GLU 47 2HG GLU 47 -12.237 3.441 4.157 388 HG3 GLU 47 1HG GLU 47 -11.877 2.263 5.410 389 H GLU 48 H GLU 48 -12.482 5.968 3.973 390 HA GLU 48 HA GLU 48 -12.818 4.853 1.553 391 HB2 GLU 48 2HB GLU 48 -14.516 6.629 1.076 392 HB3 GLU 48 1HB GLU 48 -14.638 5.916 2.679 393 HG2 GLU 48 2HG GLU 48 -13.530 7.871 3.667 394 HG3 GLU 48 1HG GLU 48 -13.347 8.589 2.068 395 H VAL 49 H VAL 49 -11.100 7.975 1.987 396 HA VAL 49 HA VAL 49 -11.189 8.767 -0.752 397 HB VAL 49 HB VAL 49 -10.934 10.374 1.128 398 HG11 VAL 49 1HG1 VAL 49 -9.402 9.091 2.566 399 HG12 VAL 49 2HG1 VAL 49 -8.787 10.717 2.263 400 HG13 VAL 49 3HG1 VAL 49 -8.093 9.336 1.408 401 HG21 VAL 49 1HG2 VAL 49 -10.294 11.089 -1.133 402 HG22 VAL 49 2HG2 VAL 49 -8.644 10.527 -0.863 403 HG23 VAL 49 3HG2 VAL 49 -9.283 11.879 0.079 404 H LEU 50 H LEU 50 -8.921 6.785 1.051 405 HA LEU 50 HA LEU 50 -6.979 6.736 -1.193 406 HB2 LEU 50 2HB LEU 50 -5.369 5.947 0.751 407 HB3 LEU 50 1HB LEU 50 -5.763 7.637 0.536 408 HG LEU 50 HG LEU 50 -7.586 7.248 2.369 409 HD11 LEU 50 1HD1 LEU 50 -7.480 4.806 2.392 410 HD12 LEU 50 2HD1 LEU 50 -7.151 5.493 3.976 411 HD13 LEU 50 3HD1 LEU 50 -5.821 4.876 2.991 412 HD21 LEU 50 1HD2 LEU 50 -5.993 7.759 4.170 413 HD22 LEU 50 2HD2 LEU 50 -5.605 8.660 2.707 414 HD23 LEU 50 3HD2 LEU 50 -4.648 7.243 3.146 415 H ARG 51 H ARG 51 -8.740 4.780 1.082 416 HA ARG 51 HA ARG 51 -7.792 2.207 0.590 417 HB2 ARG 51 2HB ARG 51 -9.156 2.599 2.529 418 HB3 ARG 51 1HB ARG 51 -10.440 3.303 1.573 419 HG2 ARG 51 2HG ARG 51 -10.309 0.644 0.629 420 HG3 ARG 51 1HG ARG 51 -10.022 0.502 2.362 421 HD2 ARG 51 2HD ARG 51 -12.438 0.327 1.779 422 HD3 ARG 51 1HD ARG 51 -12.102 1.698 2.846 423 HE ARG 51 HE ARG 51 -12.123 3.111 0.770 424 HH11 ARG 51 1HH1 ARG 51 -13.988 0.142 0.892 425 HH12 ARG 51 2HH1 ARG 51 -15.132 0.671 -0.299 426 HH21 ARG 51 1HH2 ARG 51 -13.616 3.777 -0.811 427 HH22 ARG 51 2HH2 ARG 51 -14.919 2.723 -1.256 428 H GLU 52 H GLU 52 -10.298 4.109 -1.027 429 HA GLU 52 HA GLU 52 -11.498 2.257 -2.694 430 HB2 GLU 52 2HB GLU 52 -11.947 4.185 -4.233 431 HB3 GLU 52 1HB GLU 52 -12.290 4.557 -2.546 432 HG2 GLU 52 2HG GLU 52 -10.173 5.772 -2.340 433 HG3 GLU 52 1HG GLU 52 -9.745 5.346 -3.994 434 H GLN 53 H GLN 53 -8.384 3.903 -3.141 435 HA GLN 53 HA GLN 53 -7.785 2.210 -5.496 436 HB2 GLN 53 2HB GLN 53 -6.439 4.041 -6.393 437 HB3 GLN 53 1HB GLN 53 -8.096 4.566 -6.147 438 HG2 GLN 53 2HG GLN 53 -7.415 5.765 -4.102 439 HG3 GLN 53 1HG GLN 53 -5.747 5.226 -4.354 440 HE21 GLN 53 1HE2 GLN 53 -4.660 5.958 -6.285 441 HE22 GLN 53 2HE2 GLN 53 -5.077 7.488 -6.977 442 H ALA 54 H ALA 54 -7.365 1.518 -2.778 443 HA ALA 54 HA ALA 54 -4.626 1.708 -2.048 444 HB1 ALA 54 1HB ALA 54 -6.644 -0.453 -1.328 445 HB2 ALA 54 2HB ALA 54 -6.372 1.044 -0.432 446 HB3 ALA 54 3HB ALA 54 -5.095 -0.171 -0.526 447 H GLY 55 H GLY 55 -2.925 0.804 -3.026 448 HA2 GLY 55 2HA GLY 55 -1.636 -0.893 -4.008 449 HA3 GLY 55 1HA GLY 55 -3.098 -1.764 -4.443 450 H GLY 56 H GLY 56 -3.470 1.484 -5.246 451 HA2 GLY 56 2HA GLY 56 -3.326 1.002 -8.085 452 HA3 GLY 56 1HA GLY 56 -3.721 2.519 -7.291 453 H ASP 57 H ASP 57 -1.580 3.155 -5.854 454 HA ASP 57 HA ASP 57 0.929 2.887 -7.206 455 HB2 ASP 57 2HB ASP 57 -0.179 4.376 -8.833 456 HB3 ASP 57 1HB ASP 57 -0.620 5.496 -7.548 457 H ALA 58 H ALA 58 2.604 4.321 -6.163 458 HA ALA 58 HA ALA 58 1.889 5.725 -3.707 459 HB1 ALA 58 1HB ALA 58 3.462 4.535 -2.261 460 HB2 ALA 58 2HB ALA 58 3.907 3.444 -3.576 461 HB3 ALA 58 3HB ALA 58 2.277 3.403 -2.906 462 H THR 59 H THR 59 3.456 5.870 -6.563 463 HA THR 59 HA THR 59 5.869 7.264 -5.667 464 HB THR 59 HB THR 59 6.255 7.823 -8.047 465 HG1 THR 59 HG1 THR 59 3.715 6.599 -8.462 466 HG21 THR 59 1HG2 THR 59 7.023 5.610 -7.265 467 HG22 THR 59 2HG2 THR 59 6.539 5.573 -8.963 468 HG23 THR 59 3HG2 THR 59 5.464 4.916 -7.729 469 H GLU 60 H GLU 60 2.711 8.043 -6.942 470 HA GLU 60 HA GLU 60 3.042 10.915 -6.283 471 HB2 GLU 60 2HB GLU 60 1.246 9.619 -8.402 472 HB3 GLU 60 1HB GLU 60 1.363 11.345 -8.061 473 HG2 GLU 60 2HG GLU 60 3.736 11.329 -8.787 474 HG3 GLU 60 1HG GLU 60 3.610 9.602 -9.108 475 H ASN 61 H ASN 61 1.116 7.995 -5.958 476 HA ASN 61 HA ASN 61 -1.403 9.195 -5.398 477 HB2 ASN 61 2HB ASN 61 -1.175 6.903 -6.297 478 HB3 ASN 61 1HB ASN 61 -0.428 6.381 -4.793 479 HD21 ASN 61 1HD2 ASN 61 -3.236 8.547 -5.013 480 HD22 ASN 61 2HD2 ASN 61 -4.353 7.430 -4.334 481 H PHE 62 H PHE 62 1.144 7.962 -3.256 482 HA PHE 62 HA PHE 62 -0.172 7.811 -0.809 483 HB2 PHE 62 2HB PHE 62 2.029 7.832 0.220 484 HB3 PHE 62 1HB PHE 62 2.179 7.011 -1.333 485 HD1 PHE 62 HD1 PHE 62 3.539 9.599 0.714 486 HD2 PHE 62 HD2 PHE 62 2.943 8.519 -3.372 487 HE1 PHE 62 HE1 PHE 62 5.226 11.232 0.017 488 HE2 PHE 62 HE2 PHE 62 4.647 10.150 -4.029 489 HZ PHE 62 HZ PHE 62 5.796 11.514 -2.348 490 H GLU 63 H GLU 63 1.043 10.645 -2.477 491 HA GLU 63 HA GLU 63 0.639 12.466 -0.199 492 HB2 GLU 63 2HB GLU 63 2.758 12.576 -1.534 493 HB3 GLU 63 1HB GLU 63 1.829 12.972 -2.973 494 HG2 GLU 63 2HG GLU 63 1.079 15.070 -1.882 495 HG3 GLU 63 1HG GLU 63 2.058 14.672 -0.471 496 H ASP 64 H ASP 64 -0.746 11.535 -3.255 497 HA ASP 64 HA ASP 64 -2.480 13.728 -3.736 498 HB2 ASP 64 2HB ASP 64 -1.956 12.137 -5.508 499 HB3 ASP 64 1HB ASP 64 -2.621 10.800 -4.584 500 H VAL 65 H VAL 65 -3.350 10.470 -2.597 501 HA VAL 65 HA VAL 65 -5.885 11.377 -1.492 502 HB VAL 65 HB VAL 65 -6.274 8.946 -1.062 503 HG11 VAL 65 1HG1 VAL 65 -6.971 9.934 -3.182 504 HG12 VAL 65 2HG1 VAL 65 -6.457 8.265 -3.414 505 HG13 VAL 65 3HG1 VAL 65 -5.390 9.590 -3.893 506 HG21 VAL 65 1HG2 VAL 65 -3.944 8.214 -0.659 507 HG22 VAL 65 2HG2 VAL 65 -3.545 8.505 -2.354 508 HG23 VAL 65 3HG2 VAL 65 -4.702 7.243 -1.923 509 H GLY 66 H GLY 66 -2.728 10.947 -0.358 510 HA2 GLY 66 2HA GLY 66 -3.437 10.343 2.432 511 HA3 GLY 66 1HA GLY 66 -1.828 10.476 1.752 512 H PHE 67 H PHE 67 -0.716 12.170 2.563 513 HA PHE 67 HA PHE 67 -2.191 14.436 3.762 514 HB2 PHE 67 2HB PHE 67 0.765 13.831 4.193 515 HB3 PHE 67 1HB PHE 67 -0.316 14.761 5.229 516 HD1 PHE 67 HD1 PHE 67 1.623 12.489 5.989 517 HD2 PHE 67 HD2 PHE 67 -2.573 12.513 5.165 518 HE1 PHE 67 HE1 PHE 67 1.316 10.501 7.395 519 HE2 PHE 67 HE2 PHE 67 -2.856 10.525 6.581 520 HZ PHE 67 HZ PHE 67 -0.905 9.523 7.688 521 H SER 68 H SER 68 -0.354 16.404 3.826 522 HA SER 68 HA SER 68 0.166 17.310 1.147 523 HB2 SER 68 2HB SER 68 1.406 19.150 2.501 524 HB3 SER 68 1HB SER 68 -0.320 18.977 2.801 525 HG SER 68 HG SER 68 1.847 18.168 4.419 526 H THR 69 H THR 69 2.937 18.398 1.878 527 HA THR 69 HA THR 69 4.520 16.289 0.812 528 HB THR 69 HB THR 69 6.481 17.811 1.339 529 HG1 THR 69 HG1 THR 69 4.811 19.938 1.916 530 HG21 THR 69 1HG2 THR 69 4.165 19.112 -0.131 531 HG22 THR 69 2HG2 THR 69 5.315 17.968 -0.830 532 HG23 THR 69 3HG2 THR 69 5.866 19.554 -0.285 533 H ASP 70 H ASP 70 3.429 16.703 3.975 534 HA ASP 70 HA ASP 70 5.498 15.459 5.479 535 HB2 ASP 70 2HB ASP 70 2.477 15.507 5.959 536 HB3 ASP 70 1HB ASP 70 3.674 14.972 7.138 537 H ALA 71 H ALA 71 2.875 14.245 3.477 538 HA ALA 71 HA ALA 71 2.707 11.555 4.144 539 HB1 ALA 71 1HB ALA 71 1.188 12.652 2.551 540 HB2 ALA 71 2HB ALA 71 1.864 11.180 1.856 541 HB3 ALA 71 3HB ALA 71 2.480 12.763 1.359 542 H ARG 72 H ARG 72 5.203 13.224 2.357 543 HA ARG 72 HA ARG 72 6.527 11.098 1.092 544 HB2 ARG 72 2HB ARG 72 7.687 13.691 2.196 545 HB3 ARG 72 1HB ARG 72 8.477 12.643 1.020 546 HG2 ARG 72 2HG ARG 72 6.697 13.094 -0.625 547 HG3 ARG 72 1HG ARG 72 5.839 14.093 0.554 548 HD2 ARG 72 2HD ARG 72 7.064 15.507 -1.024 549 HD3 ARG 72 1HD ARG 72 7.749 15.675 0.597 550 HE ARG 72 HE ARG 72 9.005 13.762 -1.220 551 HH11 ARG 72 1HH1 ARG 72 9.179 16.962 0.243 552 HH12 ARG 72 2HH1 ARG 72 10.865 17.162 -0.125 553 HH21 ARG 72 1HH2 ARG 72 11.203 14.027 -1.689 554 HH22 ARG 72 2HH2 ARG 72 12.012 15.493 -1.225 555 H GLU 73 H GLU 73 7.003 12.480 4.337 556 HA GLU 73 HA GLU 73 9.206 10.833 5.095 557 HB2 GLU 73 2HB GLU 73 7.218 12.456 6.750 558 HB3 GLU 73 1HB GLU 73 8.662 11.699 7.408 559 HG2 GLU 73 2HG GLU 73 8.611 13.863 5.297 560 HG3 GLU 73 1HG GLU 73 8.993 14.094 7.003 561 H LEU 74 H LEU 74 5.704 10.671 5.705 562 HA LEU 74 HA LEU 74 5.826 8.495 7.522 563 HB2 LEU 74 2HB LEU 74 3.541 9.820 6.061 564 HB3 LEU 74 1HB LEU 74 3.277 8.361 6.998 565 HG LEU 74 HG LEU 74 2.652 10.224 8.372 566 HD11 LEU 74 1HD1 LEU 74 5.315 9.198 9.397 567 HD12 LEU 74 2HD1 LEU 74 3.745 8.412 9.585 568 HD13 LEU 74 3HD1 LEU 74 4.046 9.965 10.356 569 HD21 LEU 74 1HD2 LEU 74 5.379 11.478 7.908 570 HD22 LEU 74 2HD2 LEU 74 4.131 12.085 8.999 571 HD23 LEU 74 3HD2 LEU 74 3.837 12.048 7.264 572 H SER 75 H SER 75 5.086 8.626 4.024 573 HA SER 75 HA SER 75 4.326 5.947 3.666 574 HB2 SER 75 2HB SER 75 4.927 6.280 1.258 575 HB3 SER 75 1HB SER 75 3.964 7.609 1.904 576 HG SER 75 HG SER 75 5.615 8.933 1.686 577 H LYS 76 H LYS 76 7.512 7.480 3.550 578 HA LYS 76 HA LYS 76 9.025 5.233 2.734 579 HB2 LYS 76 2HB LYS 76 9.847 7.710 4.296 580 HB3 LYS 76 1HB LYS 76 10.996 6.508 3.721 581 HG2 LYS 76 2HG LYS 76 9.188 8.209 1.977 582 HG3 LYS 76 1HG LYS 76 10.912 8.453 2.233 583 HD2 LYS 76 2HD LYS 76 9.610 6.086 0.827 584 HD3 LYS 76 1HD LYS 76 10.525 7.383 0.061 585 HE2 LYS 76 2HE LYS 76 11.612 5.267 1.948 586 HE3 LYS 76 1HE LYS 76 11.925 5.394 0.221 587 HZ1 LYS 76 1HZ LYS 76 13.008 7.561 0.690 588 HZ2 LYS 76 2HZ LYS 76 13.788 6.239 1.396 589 HZ3 LYS 76 3HZ LYS 76 12.833 7.256 2.344 590 H LYS 77 H LYS 77 8.016 6.286 5.999 591 HA LYS 77 HA LYS 77 9.678 4.232 7.259 592 HB2 LYS 77 2HB LYS 77 8.872 5.123 9.430 593 HB3 LYS 77 1HB LYS 77 9.609 6.351 8.420 594 HG2 LYS 77 2HG LYS 77 7.808 7.522 9.267 595 HG3 LYS 77 1HG LYS 77 7.134 6.920 7.758 596 HD2 LYS 77 2HD LYS 77 5.478 6.641 9.507 597 HD3 LYS 77 1HD LYS 77 6.053 5.045 9.032 598 HE2 LYS 77 2HE LYS 77 7.544 5.010 11.024 599 HE3 LYS 77 1HE LYS 77 6.922 6.590 11.508 600 HZ1 LYS 77 1HZ LYS 77 4.684 5.558 11.607 601 HZ2 LYS 77 2HZ LYS 77 5.770 4.909 12.725 602 HZ3 LYS 77 3HZ LYS 77 5.390 4.053 11.318 603 H TYR 78 H TYR 78 6.531 4.458 5.975 604 HA TYR 78 HA TYR 78 5.472 2.198 7.503 605 HB2 TYR 78 2HB TYR 78 4.345 4.022 5.363 606 HB3 TYR 78 1HB TYR 78 3.546 2.485 5.698 607 HD1 TYR 78 HD1 TYR 78 3.360 5.860 6.502 608 HD2 TYR 78 HD2 TYR 78 3.337 2.034 8.392 609 HE1 TYR 78 HE1 TYR 78 2.164 6.817 8.423 610 HE2 TYR 78 HE2 TYR 78 2.142 2.991 10.294 611 HH TYR 78 HH TYR 78 0.621 5.938 10.246 612 H ILE 79 H ILE 79 7.867 2.039 5.494 613 HA ILE 79 HA ILE 79 7.061 0.252 3.455 614 HB ILE 79 HB ILE 79 9.168 1.433 3.245 615 HG12 ILE 79 2HG1 ILE 79 9.786 -1.542 3.548 616 HG13 ILE 79 1HG1 ILE 79 9.013 -0.812 2.146 617 HG21 ILE 79 1HG2 ILE 79 11.156 1.025 4.645 618 HG22 ILE 79 2HG2 ILE 79 10.218 -0.060 5.672 619 HG23 ILE 79 3HG2 ILE 79 9.811 1.655 5.603 620 HD11 ILE 79 1HD1 ILE 79 11.825 -0.254 3.104 621 HD12 ILE 79 2HD1 ILE 79 11.047 0.484 1.700 622 HD13 ILE 79 3HD1 ILE 79 11.357 -1.250 1.725 623 H ILE 80 H ILE 80 5.824 -1.433 4.089 624 HA ILE 80 HA ILE 80 6.381 -2.927 6.549 625 HB ILE 80 HB ILE 80 4.078 -2.148 6.132 626 HG12 ILE 80 2HG1 ILE 80 4.282 -5.200 6.073 627 HG13 ILE 80 1HG1 ILE 80 4.409 -4.190 7.509 628 HG21 ILE 80 1HG2 ILE 80 4.040 -2.228 3.675 629 HG22 ILE 80 2HG2 ILE 80 2.653 -3.079 4.357 630 HG23 ILE 80 3HG2 ILE 80 4.023 -3.992 3.719 631 HD11 ILE 80 1HD1 ILE 80 2.241 -5.245 7.352 632 HD12 ILE 80 2HD1 ILE 80 1.955 -4.497 5.780 633 HD13 ILE 80 3HD1 ILE 80 2.089 -3.494 7.229 634 H GLY 81 H GLY 81 6.449 -3.343 3.071 635 HA2 GLY 81 2HA GLY 81 8.283 -5.487 3.150 636 HA3 GLY 81 1HA GLY 81 6.661 -6.150 2.911 637 H GLU 82 H GLU 82 7.534 -6.898 0.831 638 HA GLU 82 HA GLU 82 7.448 -4.772 -1.245 639 HB2 GLU 82 2HB GLU 82 8.969 -6.108 -2.636 640 HB3 GLU 82 1HB GLU 82 9.722 -5.722 -1.096 641 HG2 GLU 82 2HG GLU 82 9.197 -8.036 -0.302 642 HG3 GLU 82 1HG GLU 82 8.542 -8.405 -1.897 643 H LEU 83 H LEU 83 6.130 -5.059 -2.919 644 HA LEU 83 HA LEU 83 4.071 -7.077 -2.869 645 HB2 LEU 83 2HB LEU 83 4.053 -4.522 -3.673 646 HB3 LEU 83 1HB LEU 83 4.575 -5.196 -5.203 647 HG LEU 83 HG LEU 83 2.111 -4.724 -5.048 648 HD11 LEU 83 1HD1 LEU 83 2.679 -7.652 -5.524 649 HD12 LEU 83 2HD1 LEU 83 2.895 -6.352 -6.694 650 HD13 LEU 83 3HD1 LEU 83 1.284 -6.735 -6.101 651 HD21 LEU 83 1HD2 LEU 83 2.068 -6.993 -3.043 652 HD22 LEU 83 2HD2 LEU 83 0.651 -6.200 -3.739 653 HD23 LEU 83 3HD2 LEU 83 1.754 -5.289 -2.710 654 H HIS 84 H HIS 84 3.718 -8.693 -4.529 655 HA HIS 84 HA HIS 84 6.039 -9.999 -5.554 656 HB2 HIS 84 2HB HIS 84 3.076 -10.447 -6.085 657 HB3 HIS 84 1HB HIS 84 4.334 -11.500 -6.723 658 HD1 HIS 84 HD1 HIS 84 2.226 -12.653 -4.907 659 HD2 HIS 84 HD2 HIS 84 5.844 -11.201 -3.501 660 HE1 HIS 84 HE1 HIS 84 2.604 -13.819 -2.729 661 HE2 HIS 84 HE2 HIS 84 4.875 -13.062 -1.990 662 HA PRO 85 HA PRO 85 6.680 -7.918 -9.539 663 HB2 PRO 85 2HB PRO 85 7.578 -10.668 -10.414 664 HB3 PRO 85 1HB PRO 85 8.425 -9.110 -10.543 665 HG2 PRO 85 2HG PRO 85 9.179 -10.877 -8.729 666 HG3 PRO 85 1HG PRO 85 9.119 -9.145 -8.313 667 HD2 PRO 85 2HD PRO 85 7.155 -11.328 -7.622 668 HD3 PRO 85 1HD PRO 85 7.763 -9.993 -6.613 669 H ASP 86 H ASP 86 5.002 -11.032 -9.345 670 HA ASP 86 HA ASP 86 3.840 -10.935 -11.975 671 HB2 ASP 86 2HB ASP 86 4.192 -13.097 -10.846 672 HB3 ASP 86 1HB ASP 86 3.089 -12.642 -9.553 673 H ASP 87 H ASP 87 2.669 -10.310 -8.656 674 HA ASP 87 HA ASP 87 -0.063 -9.974 -9.363 675 HB2 ASP 87 2HB ASP 87 1.541 -9.299 -6.898 676 HB3 ASP 87 1HB ASP 87 -0.091 -8.701 -7.029 677 H ARG 88 H ARG 88 2.631 -7.700 -9.032 678 HA ARG 88 HA ARG 88 1.032 -5.325 -9.118 679 HB2 ARG 88 2HB ARG 88 3.100 -4.083 -9.210 680 HB3 ARG 88 1HB ARG 88 3.314 -5.423 -8.101 681 HG2 ARG 88 2HG ARG 88 5.340 -5.482 -9.215 682 HG3 ARG 88 1HG ARG 88 4.416 -6.617 -10.196 683 HD2 ARG 88 2HD ARG 88 3.972 -4.796 -11.839 684 HD3 ARG 88 1HD ARG 88 4.922 -3.684 -10.853 685 HE ARG 88 HE ARG 88 6.609 -5.783 -11.417 686 HH11 ARG 88 1HH1 ARG 88 4.739 -3.528 -13.379 687 HH12 ARG 88 2HH1 ARG 88 5.872 -3.547 -14.695 688 HH21 ARG 88 1HH2 ARG 88 8.147 -5.666 -13.096 689 HH22 ARG 88 2HH2 ARG 88 7.795 -4.750 -14.529 690 H SER 89 H SER 89 2.339 -7.423 -11.550 691 HA SER 89 HA SER 89 1.829 -5.577 -13.774 692 HB2 SER 89 2HB SER 89 3.919 -6.944 -13.740 693 HB3 SER 89 1HB SER 89 2.955 -8.419 -13.777 694 HG SER 89 HG SER 89 2.072 -7.029 -15.781 695 H LYS 90 H LYS 90 0.445 -8.309 -12.156 696 HA LYS 90 HA LYS 90 -1.252 -9.322 -14.237 697 HB2 LYS 90 2HB LYS 90 -0.517 -10.805 -12.441 698 HB3 LYS 90 1HB LYS 90 -1.192 -9.745 -11.212 699 HG2 LYS 90 2HG LYS 90 -3.493 -10.297 -12.065 700 HG3 LYS 90 1HG LYS 90 -2.758 -11.428 -13.206 701 HD2 LYS 90 2HD LYS 90 -3.642 -12.545 -11.131 702 HD3 LYS 90 1HD LYS 90 -1.918 -12.818 -11.391 703 HE2 LYS 90 2HE LYS 90 -1.329 -11.221 -9.688 704 HE3 LYS 90 1HE LYS 90 -2.998 -10.669 -9.536 705 HZ1 LYS 90 1HZ LYS 90 -2.371 -12.141 -7.730 706 HZ2 LYS 90 2HZ LYS 90 -2.001 -13.373 -8.819 707 HZ3 LYS 90 3HZ LYS 90 -3.593 -12.842 -8.667 708 H ILE 91 H ILE 91 -1.860 -7.524 -11.213 709 HA ILE 91 HA ILE 91 -4.444 -6.552 -12.268 710 HB ILE 91 HB ILE 91 -3.592 -6.024 -9.406 711 HG12 ILE 91 2HG1 ILE 91 -4.585 -8.772 -10.299 712 HG13 ILE 91 1HG1 ILE 91 -2.945 -8.418 -9.789 713 HG21 ILE 91 1HG2 ILE 91 -6.261 -6.819 -10.648 714 HG22 ILE 91 2HG2 ILE 91 -5.765 -5.181 -10.216 715 HG23 ILE 91 3HG2 ILE 91 -6.002 -6.390 -8.956 716 HD11 ILE 91 1HD1 ILE 91 -5.402 -8.227 -8.057 717 HD12 ILE 91 2HD1 ILE 91 -3.751 -7.861 -7.552 718 HD13 ILE 91 3HD1 ILE 91 -4.184 -9.502 -8.029 719 H ALA 92 H ALA 92 -1.705 -5.596 -13.070 720 HA ALA 92 HA ALA 92 -1.271 -2.936 -12.259 721 HB1 ALA 92 1HB ALA 92 0.300 -4.165 -13.686 722 HB2 ALA 92 2HB ALA 92 -0.159 -2.635 -14.433 723 HB3 ALA 92 3HB ALA 92 -0.862 -4.150 -15.013 724 H LYS 93 H LYS 93 -3.495 -4.369 -14.592 725 HA LYS 93 HA LYS 93 -5.059 -1.870 -14.746 726 HB2 LYS 93 2HB LYS 93 -5.523 -4.515 -16.197 727 HB3 LYS 93 1HB LYS 93 -6.350 -2.992 -16.505 728 HG2 LYS 93 2HG LYS 93 -4.296 -2.006 -17.384 729 HG3 LYS 93 1HG LYS 93 -3.388 -3.462 -16.975 730 HD2 LYS 93 2HD LYS 93 -5.643 -3.278 -19.014 731 HD3 LYS 93 1HD LYS 93 -3.922 -3.413 -19.381 732 HE2 LYS 93 2HE LYS 93 -3.861 -5.646 -18.329 733 HE3 LYS 93 1HE LYS 93 -5.575 -5.508 -17.924 734 HZ1 LYS 93 1HZ LYS 93 -4.420 -5.577 -20.655 735 HZ2 LYS 93 2HZ LYS 93 -6.057 -5.374 -20.307 736 HZ3 LYS 93 3HZ LYS 93 -5.284 -6.823 -19.905 737 HA PRO 94 HA PRO 94 -7.503 -4.264 -11.605 738 HB2 PRO 94 2HB PRO 94 -7.656 -2.402 -9.667 739 HB3 PRO 94 1HB PRO 94 -6.142 -3.285 -9.950 740 HG2 PRO 94 2HG PRO 94 -6.852 -0.482 -10.668 741 HG3 PRO 94 1HG PRO 94 -5.286 -1.164 -10.185 742 HD2 PRO 94 2HD PRO 94 -6.169 -0.657 -12.853 743 HD3 PRO 94 1HD PRO 94 -4.703 -1.529 -12.356 744 H SER 95 H SER 95 -9.635 -3.423 -10.367 745 HA SER 95 HA SER 95 -11.308 -2.051 -12.379 746 HB2 SER 95 2HB SER 95 -11.946 -4.380 -11.882 747 HB3 SER 95 1HB SER 95 -12.082 -4.007 -10.163 748 HG SER 95 HG SER 95 -13.538 -2.380 -11.859 749 H GLU 96 H GLU 96 -11.634 -2.534 -8.821 750 HA GLU 96 HA GLU 96 -13.065 -0.054 -8.506 751 HB2 GLU 96 2HB GLU 96 -11.894 -1.878 -6.351 752 HB3 GLU 96 1HB GLU 96 -13.142 -0.654 -6.116 753 HG2 GLU 96 2HG GLU 96 -14.708 -1.927 -7.484 754 HG3 GLU 96 1HG GLU 96 -13.464 -3.119 -7.855 755 H THR 97 H THR 97 -9.787 -0.943 -8.432 756 HA THR 97 HA THR 97 -8.806 1.008 -6.571 757 HB THR 97 HB THR 97 -7.188 -0.562 -8.616 758 HG1 THR 97 HG1 THR 97 -7.103 -2.167 -6.883 759 HG21 THR 97 1HG2 THR 97 -5.936 1.094 -7.256 760 HG22 THR 97 2HG2 THR 97 -5.446 -0.565 -6.912 761 HG23 THR 97 3HG2 THR 97 -6.503 0.293 -5.789 762 H LEU 98 H LEU 98 -8.481 0.546 -10.119 763 HA LEU 98 HA LEU 98 -8.499 3.383 -10.644 764 HB2 LEU 98 2HB LEU 98 -6.131 3.052 -9.969 765 HB3 LEU 98 1HB LEU 98 -5.960 1.759 -11.145 766 HG LEU 98 HG LEU 98 -6.239 3.396 -12.998 767 HD11 LEU 98 1HD1 LEU 98 -6.251 5.818 -12.565 768 HD12 LEU 98 2HD1 LEU 98 -6.370 5.516 -10.830 769 HD13 LEU 98 3HD1 LEU 98 -7.685 5.033 -11.904 770 HD21 LEU 98 1HD2 LEU 98 -4.063 4.177 -11.020 771 HD22 LEU 98 2HD2 LEU 98 -4.072 4.550 -12.746 772 HD23 LEU 98 3HD2 LEU 98 -3.972 2.875 -12.210 Start of MODEL 8 1 H1 ALA 1 1H ALA 1 14.924 -23.142 11.000 2 H2 ALA 1 2H ALA 1 13.694 -22.212 11.688 3 H3 ALA 1 3H ALA 1 15.225 -21.542 11.459 4 HA ALA 1 HA ALA 1 14.996 -21.698 9.086 5 HB1 ALA 1 1HB ALA 1 12.210 -22.746 9.709 6 HB2 ALA 1 2HB ALA 1 13.536 -23.675 9.008 7 HB3 ALA 1 3HB ALA 1 12.819 -22.343 8.099 8 H GLU 2 H GLU 2 14.949 -19.567 8.619 9 HA GLU 2 HA GLU 2 12.969 -17.768 9.844 10 HB2 GLU 2 2HB GLU 2 14.342 -15.938 8.861 11 HB3 GLU 2 1HB GLU 2 15.275 -16.985 9.919 12 HG2 GLU 2 2HG GLU 2 16.197 -18.140 7.900 13 HG3 GLU 2 1HG GLU 2 15.333 -16.984 6.881 14 H GLN 3 H GLN 3 11.398 -16.798 8.706 15 HA GLN 3 HA GLN 3 10.710 -17.729 6.028 16 HB2 GLN 3 2HB GLN 3 8.981 -17.659 7.788 17 HB3 GLN 3 1HB GLN 3 9.262 -15.948 8.044 18 HG2 GLN 3 2HG GLN 3 7.190 -16.302 6.807 19 HG3 GLN 3 1HG GLN 3 8.365 -15.446 5.811 20 HE21 GLN 3 1HE2 GLN 3 6.634 -18.444 6.267 21 HE22 GLN 3 2HE2 GLN 3 6.969 -19.105 4.708 22 H SER 4 H SER 4 10.419 -16.296 4.241 23 HA SER 4 HA SER 4 12.266 -14.200 3.880 24 HB2 SER 4 2HB SER 4 10.927 -13.780 1.752 25 HB3 SER 4 1HB SER 4 11.448 -15.448 1.974 26 HG SER 4 HG SER 4 8.859 -14.436 2.603 27 H ASP 5 H ASP 5 8.992 -14.224 5.035 28 HA ASP 5 HA ASP 5 8.413 -11.433 4.773 29 HB2 ASP 5 2HB ASP 5 7.035 -13.569 6.442 30 HB3 ASP 5 1HB ASP 5 6.386 -11.962 6.098 31 H LYS 6 H LYS 6 10.218 -13.248 7.064 32 HA LYS 6 HA LYS 6 9.958 -11.555 9.352 33 HB2 LYS 6 2HB LYS 6 10.855 -13.864 9.527 34 HB3 LYS 6 1HB LYS 6 12.244 -13.417 8.550 35 HG2 LYS 6 2HG LYS 6 12.841 -13.545 10.928 36 HG3 LYS 6 1HG LYS 6 13.040 -11.901 10.312 37 HD2 LYS 6 2HD LYS 6 10.816 -11.298 11.308 38 HD3 LYS 6 1HD LYS 6 10.702 -12.925 11.986 39 HE2 LYS 6 2HE LYS 6 12.677 -12.499 13.375 40 HE3 LYS 6 1HE LYS 6 12.878 -10.906 12.641 41 HZ1 LYS 6 1HZ LYS 6 10.680 -10.313 13.537 42 HZ2 LYS 6 2HZ LYS 6 11.800 -10.682 14.747 43 HZ3 LYS 6 3HZ LYS 6 10.607 -11.806 14.331 44 H ASP 7 H ASP 7 11.966 -11.506 6.466 45 HA ASP 7 HA ASP 7 13.544 -9.199 7.257 46 HB2 ASP 7 2HB ASP 7 14.461 -10.924 5.697 47 HB3 ASP 7 1HB ASP 7 13.207 -10.531 4.528 48 H VAL 8 H VAL 8 10.890 -9.914 4.998 49 HA VAL 8 HA VAL 8 9.857 -7.214 4.971 50 HB VAL 8 HB VAL 8 11.768 -6.961 3.437 51 HG11 VAL 8 1HG1 VAL 8 12.093 -9.283 2.745 52 HG12 VAL 8 2HG1 VAL 8 11.974 -8.233 1.331 53 HG13 VAL 8 3HG1 VAL 8 10.600 -9.238 1.801 54 HG21 VAL 8 1HG2 VAL 8 10.629 -6.139 1.419 55 HG22 VAL 8 2HG2 VAL 8 9.753 -5.688 2.881 56 HG23 VAL 8 3HG2 VAL 8 9.168 -7.017 1.878 57 H LYS 9 H LYS 9 7.640 -7.315 4.508 58 HA LYS 9 HA LYS 9 6.563 -10.015 4.446 59 HB2 LYS 9 2HB LYS 9 5.281 -7.302 4.924 60 HB3 LYS 9 1HB LYS 9 4.357 -8.806 4.906 61 HG2 LYS 9 2HG LYS 9 5.656 -9.664 6.802 62 HG3 LYS 9 1HG LYS 9 6.679 -8.224 6.784 63 HD2 LYS 9 2HD LYS 9 4.795 -6.821 7.446 64 HD3 LYS 9 1HD LYS 9 3.681 -8.187 7.323 65 HE2 LYS 9 2HE LYS 9 4.292 -7.694 9.681 66 HE3 LYS 9 1HE LYS 9 4.804 -9.307 9.194 67 HZ1 LYS 9 1HZ LYS 9 6.510 -8.154 10.473 68 HZ2 LYS 9 2HZ LYS 9 6.571 -6.922 9.318 69 HZ3 LYS 9 3HZ LYS 9 7.055 -8.487 8.906 70 H TYR 10 H TYR 10 5.892 -11.004 2.720 71 HA TYR 10 HA TYR 10 5.734 -9.746 0.131 72 HB2 TYR 10 2HB TYR 10 5.615 -12.621 1.102 73 HB3 TYR 10 1HB TYR 10 5.295 -12.209 -0.579 74 HD1 TYR 10 HD1 TYR 10 7.106 -12.439 -2.046 75 HD2 TYR 10 HD2 TYR 10 7.912 -11.451 2.032 76 HE1 TYR 10 HE1 TYR 10 9.518 -12.496 -2.504 77 HE2 TYR 10 HE2 TYR 10 10.318 -11.498 1.571 78 HH TYR 10 HH TYR 10 11.608 -11.436 -1.502 79 H TYR 11 H TYR 11 3.936 -8.750 -0.396 80 HA TYR 11 HA TYR 11 1.282 -9.705 0.408 81 HB2 TYR 11 2HB TYR 11 2.452 -7.021 -0.296 82 HB3 TYR 11 1HB TYR 11 0.754 -7.279 -0.673 83 HD1 TYR 11 HD1 TYR 11 3.147 -7.737 2.236 84 HD2 TYR 11 HD2 TYR 11 -0.794 -6.690 0.930 85 HE1 TYR 11 HE1 TYR 11 2.510 -7.201 4.550 86 HE2 TYR 11 HE2 TYR 11 -1.419 -6.164 3.225 87 HH TYR 11 HH TYR 11 -0.774 -6.705 5.470 88 H THR 12 H THR 12 -0.337 -10.068 -1.083 89 HA THR 12 HA THR 12 0.307 -10.058 -3.961 90 HB THR 12 HB THR 12 -1.950 -11.083 -4.267 91 HG1 THR 12 HG1 THR 12 -3.314 -11.330 -2.622 92 HG21 THR 12 1HG2 THR 12 -0.094 -12.651 -3.872 93 HG22 THR 12 2HG2 THR 12 -1.594 -13.256 -3.164 94 HG23 THR 12 3HG2 THR 12 -0.356 -12.541 -2.127 95 H LEU 13 H LEU 13 -0.718 -8.594 -5.343 96 HA LEU 13 HA LEU 13 -1.835 -6.177 -4.318 97 HB2 LEU 13 2HB LEU 13 -0.583 -6.510 -6.542 98 HB3 LEU 13 1HB LEU 13 -2.063 -7.192 -7.193 99 HG LEU 13 HG LEU 13 -3.226 -5.053 -6.972 100 HD11 LEU 13 1HD1 LEU 13 -2.112 -3.032 -6.091 101 HD12 LEU 13 2HD1 LEU 13 -0.721 -4.012 -5.613 102 HD13 LEU 13 3HD1 LEU 13 -2.295 -4.279 -4.859 103 HD21 LEU 13 1HD2 LEU 13 -1.933 -3.653 -8.506 104 HD22 LEU 13 2HD2 LEU 13 -1.822 -5.346 -8.990 105 HD23 LEU 13 3HD2 LEU 13 -0.467 -4.576 -8.157 106 H GLU 14 H GLU 14 -3.070 -9.252 -5.243 107 HA GLU 14 HA GLU 14 -5.820 -8.868 -5.516 108 HB2 GLU 14 2HB GLU 14 -4.271 -10.992 -5.815 109 HB3 GLU 14 1HB GLU 14 -4.616 -11.292 -4.117 110 HG2 GLU 14 2HG GLU 14 -6.672 -11.136 -6.354 111 HG3 GLU 14 1HG GLU 14 -6.023 -12.617 -5.659 112 H GLU 15 H GLU 15 -3.868 -9.411 -2.547 113 HA GLU 15 HA GLU 15 -6.084 -9.485 -0.743 114 HB2 GLU 15 2HB GLU 15 -3.895 -10.494 -0.160 115 HB3 GLU 15 1HB GLU 15 -3.157 -8.893 -0.160 116 HG2 GLU 15 2HG GLU 15 -4.627 -8.222 1.728 117 HG3 GLU 15 1HG GLU 15 -5.344 -9.831 1.728 118 H ILE 16 H ILE 16 -4.054 -6.893 -2.008 119 HA ILE 16 HA ILE 16 -4.964 -4.872 -0.215 120 HB ILE 16 HB ILE 16 -3.792 -4.526 -3.008 121 HG12 ILE 16 2HG1 ILE 16 -2.393 -4.632 -0.283 122 HG13 ILE 16 1HG1 ILE 16 -2.287 -5.858 -1.545 123 HG21 ILE 16 1HG2 ILE 16 -3.971 -2.570 -0.677 124 HG22 ILE 16 2HG2 ILE 16 -4.906 -2.489 -2.173 125 HG23 ILE 16 3HG2 ILE 16 -3.159 -2.266 -2.217 126 HD11 ILE 16 1HD1 ILE 16 -1.241 -3.034 -1.703 127 HD12 ILE 16 2HD1 ILE 16 -1.164 -4.230 -3.000 128 HD13 ILE 16 3HD1 ILE 16 -0.299 -4.510 -1.491 129 H GLN 17 H GLN 17 -6.187 -6.212 -3.249 130 HA GLN 17 HA GLN 17 -8.171 -4.277 -3.871 131 HB2 GLN 17 2HB GLN 17 -8.195 -7.266 -4.451 132 HB3 GLN 17 1HB GLN 17 -9.288 -6.092 -5.174 133 HG2 GLN 17 2HG GLN 17 -6.287 -6.229 -5.563 134 HG3 GLN 17 1HG GLN 17 -7.516 -6.716 -6.724 135 HE21 GLN 17 1HE2 GLN 17 -5.802 -4.054 -5.320 136 HE22 GLN 17 2HE2 GLN 17 -6.432 -2.822 -6.357 137 H LYS 18 H LYS 18 -7.995 -6.537 -1.303 138 HA LYS 18 HA LYS 18 -10.798 -6.828 -0.703 139 HB2 LYS 18 2HB LYS 18 -8.872 -8.399 -0.048 140 HB3 LYS 18 1HB LYS 18 -8.421 -7.208 1.161 141 HG2 LYS 18 2HG LYS 18 -10.760 -7.516 2.150 142 HG3 LYS 18 1HG LYS 18 -10.942 -8.893 1.056 143 HD2 LYS 18 2HD LYS 18 -8.805 -8.579 3.211 144 HD3 LYS 18 1HD LYS 18 -10.229 -9.614 3.312 145 HE2 LYS 18 2HE LYS 18 -9.369 -10.975 1.430 146 HE3 LYS 18 1HE LYS 18 -7.956 -9.926 1.312 147 HZ1 LYS 18 1HZ LYS 18 -7.455 -11.936 2.529 148 HZ2 LYS 18 2HZ LYS 18 -8.667 -11.606 3.659 149 HZ3 LYS 18 3HZ LYS 18 -7.320 -10.590 3.544 150 H HIS 19 H HIS 19 -9.433 -4.033 -0.911 151 HA HIS 19 HA HIS 19 -9.637 -2.796 1.625 152 HB2 HIS 19 2HB HIS 19 -9.438 -0.648 0.274 153 HB3 HIS 19 1HB HIS 19 -8.129 -1.799 0.083 154 HD1 HIS 19 HD1 HIS 19 -7.382 -1.984 -2.251 155 HD2 HIS 19 HD2 HIS 19 -11.370 -0.909 -2.090 156 HE1 HIS 19 HE1 HIS 19 -8.068 -1.590 -4.612 157 HE2 HIS 19 HE2 HIS 19 -10.401 -0.693 -4.444 158 H LYS 20 H LYS 20 -11.677 -3.384 2.417 159 HA LYS 20 HA LYS 20 -13.835 -1.594 1.455 160 HB2 LYS 20 2HB LYS 20 -14.152 -4.409 2.596 161 HB3 LYS 20 1HB LYS 20 -15.489 -3.284 2.434 162 HG2 LYS 20 2HG LYS 20 -15.739 -4.631 0.550 163 HG3 LYS 20 1HG LYS 20 -14.891 -3.236 -0.095 164 HD2 LYS 20 2HD LYS 20 -13.871 -5.135 -1.094 165 HD3 LYS 20 1HD LYS 20 -12.737 -4.579 0.130 166 HE2 LYS 20 2HE LYS 20 -14.676 -6.877 0.527 167 HE3 LYS 20 1HE LYS 20 -13.002 -7.069 0.019 168 HZ1 LYS 20 1HZ LYS 20 -13.970 -6.004 2.612 169 HZ2 LYS 20 2HZ LYS 20 -12.353 -5.968 2.131 170 HZ3 LYS 20 3HZ LYS 20 -13.138 -7.450 2.342 171 H ASP 21 H ASP 21 -11.562 -1.728 3.632 172 HA ASP 21 HA ASP 21 -12.997 -0.297 5.711 173 HB2 ASP 21 2HB ASP 21 -13.185 -2.863 6.228 174 HB3 ASP 21 1HB ASP 21 -11.459 -2.812 6.555 175 H SER 22 H SER 22 -11.408 0.525 7.358 176 HA SER 22 HA SER 22 -9.099 1.663 6.193 177 HB2 SER 22 2HB SER 22 -8.657 2.357 8.645 178 HB3 SER 22 1HB SER 22 -10.176 2.891 7.931 179 HG SER 22 HG SER 22 -10.239 0.436 9.247 180 H LYS 23 H LYS 23 -9.579 -1.172 8.316 181 HA LYS 23 HA LYS 23 -6.812 -1.548 8.942 182 HB2 LYS 23 2HB LYS 23 -7.531 -3.705 9.962 183 HB3 LYS 23 1HB LYS 23 -8.441 -2.325 10.527 184 HG2 LYS 23 2HG LYS 23 -10.106 -3.914 10.299 185 HG3 LYS 23 1HG LYS 23 -10.228 -3.056 8.769 186 HD2 LYS 23 2HD LYS 23 -10.417 -5.464 8.419 187 HD3 LYS 23 1HD LYS 23 -8.945 -4.860 7.656 188 HE2 LYS 23 2HE LYS 23 -7.637 -5.659 9.636 189 HE3 LYS 23 1HE LYS 23 -9.130 -6.311 10.318 190 HZ1 LYS 23 1HZ LYS 23 -7.888 -7.148 7.759 191 HZ2 LYS 23 2HZ LYS 23 -9.316 -7.771 8.412 192 HZ3 LYS 23 3HZ LYS 23 -7.847 -8.012 9.213 193 H SER 24 H SER 24 -8.652 -2.343 6.196 194 HA SER 24 HA SER 24 -6.370 -3.871 5.083 195 HB2 SER 24 2HB SER 24 -9.324 -4.149 4.349 196 HB3 SER 24 1HB SER 24 -7.984 -4.982 3.547 197 HG SER 24 HG SER 24 -7.515 -5.669 5.867 198 H THR 25 H THR 25 -5.454 -1.770 4.641 199 HA THR 25 HA THR 25 -6.199 -0.814 1.984 200 HB THR 25 HB THR 25 -5.932 1.161 4.303 201 HG1 THR 25 HG1 THR 25 -8.025 0.068 4.075 202 HG21 THR 25 1HG2 THR 25 -4.951 2.065 2.221 203 HG22 THR 25 2HG2 THR 25 -6.440 2.913 2.636 204 HG23 THR 25 3HG2 THR 25 -6.446 1.703 1.354 205 H TRP 26 H TRP 26 -4.356 -0.816 0.853 206 HA TRP 26 HA TRP 26 -1.808 0.089 2.008 207 HB2 TRP 26 2HB TRP 26 -2.125 -2.599 0.587 208 HB3 TRP 26 1HB TRP 26 -0.594 -1.884 1.078 209 HD1 TRP 26 HD TRP 26 -0.096 -1.835 3.786 210 HE1 TRP 26 HE1 TRP 26 -0.943 -3.355 5.672 211 HE3 TRP 26 HE3 TRP 26 -4.029 -3.975 1.356 212 HZ2 TRP 26 HZ2 TRP 26 -3.013 -5.241 6.069 213 HZ3 TRP 26 HZ3 TRP 26 -5.395 -5.653 2.540 214 HH2 TRP 26 HH TRP 26 -4.892 -6.270 4.855 215 H VAL 27 H VAL 27 -0.173 0.431 0.242 216 HA VAL 27 HA VAL 27 -1.279 0.710 -2.494 217 HB VAL 27 HB VAL 27 -0.182 2.968 -2.759 218 HG11 VAL 27 1HG1 VAL 27 -2.358 2.918 -0.634 219 HG12 VAL 27 2HG1 VAL 27 -2.618 2.850 -2.378 220 HG13 VAL 27 3HG1 VAL 27 -1.931 4.302 -1.645 221 HG21 VAL 27 1HG2 VAL 27 1.437 2.828 -0.903 222 HG22 VAL 27 2HG2 VAL 27 0.117 2.871 0.270 223 HG23 VAL 27 3HG2 VAL 27 0.436 4.274 -0.753 224 H ILE 28 H ILE 28 0.340 0.693 -4.158 225 HA ILE 28 HA ILE 28 3.029 -0.226 -3.306 226 HB ILE 28 HB ILE 28 3.065 -1.884 -5.117 227 HG12 ILE 28 2HG1 ILE 28 0.519 -2.355 -6.098 228 HG13 ILE 28 1HG1 ILE 28 0.462 -0.604 -5.975 229 HG21 ILE 28 1HG2 ILE 28 1.348 -3.448 -4.214 230 HG22 ILE 28 2HG2 ILE 28 0.616 -2.101 -3.345 231 HG23 ILE 28 3HG2 ILE 28 2.260 -2.612 -2.956 232 HD11 ILE 28 1HD1 ILE 28 2.355 -0.424 -7.476 233 HD12 ILE 28 2HD1 ILE 28 1.066 -1.380 -8.203 234 HD13 ILE 28 3HD1 ILE 28 2.498 -2.183 -7.554 235 H LEU 29 H LEU 29 4.733 0.752 -4.269 236 HA LEU 29 HA LEU 29 4.184 2.916 -6.155 237 HB2 LEU 29 2HB LEU 29 6.350 3.737 -5.769 238 HB3 LEU 29 1HB LEU 29 5.870 3.099 -4.210 239 HG LEU 29 HG LEU 29 7.709 1.626 -6.144 240 HD11 LEU 29 1HD1 LEU 29 8.484 3.313 -3.757 241 HD12 LEU 29 2HD1 LEU 29 8.766 3.705 -5.455 242 HD13 LEU 29 3HD1 LEU 29 9.574 2.319 -4.730 243 HD21 LEU 29 1HD2 LEU 29 8.303 0.239 -4.219 244 HD22 LEU 29 2HD2 LEU 29 6.575 0.150 -4.545 245 HD23 LEU 29 3HD2 LEU 29 7.167 1.132 -3.204 246 H HIS 30 H HIS 30 5.315 -0.333 -6.215 247 HA HIS 30 HA HIS 30 5.100 -0.735 -8.955 248 HB2 HIS 30 2HB HIS 30 7.176 0.680 -9.135 249 HB3 HIS 30 1HB HIS 30 8.018 -0.448 -8.078 250 HD1 HIS 30 HD1 HIS 30 9.412 -2.098 -9.342 251 HD2 HIS 30 HD2 HIS 30 6.141 -0.798 -11.561 252 HE1 HIS 30 HE1 HIS 30 9.599 -3.239 -11.570 253 HE2 HIS 30 HE2 HIS 30 7.743 -2.259 -12.956 254 H HIS 31 H HIS 31 7.591 -1.765 -6.616 255 HA HIS 31 HA HIS 31 6.670 -4.571 -6.844 256 HB2 HIS 31 2HB HIS 31 8.849 -4.352 -7.876 257 HB3 HIS 31 1HB HIS 31 9.466 -3.417 -6.524 258 HD1 HIS 31 HD1 HIS 31 11.013 -4.743 -5.126 259 HD2 HIS 31 HD2 HIS 31 8.095 -7.160 -6.807 260 HE1 HIS 31 HE1 HIS 31 11.508 -7.049 -4.306 261 HE2 HIS 31 HE2 HIS 31 9.568 -8.430 -5.106 262 H LYS 32 H LYS 32 7.096 -1.953 -4.633 263 HA LYS 32 HA LYS 32 6.938 -3.848 -2.362 264 HB2 LYS 32 2HB LYS 32 8.339 -1.156 -2.408 265 HB3 LYS 32 1HB LYS 32 8.068 -2.111 -0.949 266 HG2 LYS 32 2HG LYS 32 9.384 -3.979 -2.002 267 HG3 LYS 32 1HG LYS 32 9.764 -2.900 -3.352 268 HD2 LYS 32 2HD LYS 32 10.509 -2.463 -0.429 269 HD3 LYS 32 1HD LYS 32 11.609 -2.994 -1.704 270 HE2 LYS 32 2HE LYS 32 11.386 -0.847 -2.844 271 HE3 LYS 32 1HE LYS 32 10.158 -0.317 -1.696 272 HZ1 LYS 32 1HZ LYS 32 13.014 -0.839 -1.111 273 HZ2 LYS 32 2HZ LYS 32 11.852 -0.487 0.062 274 HZ3 LYS 32 3HZ LYS 32 12.228 0.657 -1.125 275 H VAL 33 H VAL 33 5.597 -3.465 -0.709 276 HA VAL 33 HA VAL 33 3.318 -1.671 -1.248 277 HB VAL 33 HB VAL 33 2.769 -4.081 -1.198 278 HG11 VAL 33 1HG1 VAL 33 3.022 -5.436 0.847 279 HG12 VAL 33 2HG1 VAL 33 3.854 -4.098 1.642 280 HG13 VAL 33 3HG1 VAL 33 4.583 -4.886 0.242 281 HG21 VAL 33 1HG2 VAL 33 0.957 -4.063 0.480 282 HG22 VAL 33 2HG2 VAL 33 1.051 -2.521 -0.372 283 HG23 VAL 33 3HG2 VAL 33 1.689 -2.660 1.268 284 H TYR 34 H TYR 34 2.479 -0.390 0.389 285 HA TYR 34 HA TYR 34 4.128 0.085 2.809 286 HB2 TYR 34 2HB TYR 34 2.559 2.161 1.195 287 HB3 TYR 34 1HB TYR 34 3.532 2.479 2.627 288 HD1 TYR 34 HD1 TYR 34 3.700 1.510 -0.973 289 HD2 TYR 34 HD2 TYR 34 5.919 2.718 2.476 290 HE1 TYR 34 HE1 TYR 34 5.665 1.919 -2.377 291 HE2 TYR 34 HE2 TYR 34 7.884 3.126 1.071 292 HH TYR 34 HH TYR 34 8.738 2.239 -1.224 293 H ASP 35 H ASP 35 2.953 0.680 4.682 294 HA ASP 35 HA ASP 35 0.322 -0.523 4.892 295 HB2 ASP 35 2HB ASP 35 2.138 -0.968 6.600 296 HB3 ASP 35 1HB ASP 35 2.039 0.714 7.099 297 H LEU 36 H LEU 36 -1.029 0.878 3.900 298 HA LEU 36 HA LEU 36 -1.019 3.710 4.498 299 HB2 LEU 36 2HB LEU 36 -1.721 2.250 2.241 300 HB3 LEU 36 1HB LEU 36 -3.291 2.651 2.900 301 HG LEU 36 HG LEU 36 -2.526 4.285 1.181 302 HD11 LEU 36 1HD1 LEU 36 -3.031 6.327 2.370 303 HD12 LEU 36 2HD1 LEU 36 -2.720 5.542 3.920 304 HD13 LEU 36 3HD1 LEU 36 -4.083 5.027 2.924 305 HD21 LEU 36 1HD2 LEU 36 -0.670 5.804 1.598 306 HD22 LEU 36 2HD2 LEU 36 -0.094 4.140 1.636 307 HD23 LEU 36 3HD2 LEU 36 -0.331 5.021 3.144 308 H THR 37 H THR 37 -2.530 0.876 5.700 309 HA THR 37 HA THR 37 -4.864 1.692 6.904 310 HB THR 37 HB THR 37 -2.693 -0.156 7.971 311 HG1 THR 37 HG1 THR 37 -5.066 -0.549 6.447 312 HG21 THR 37 1HG2 THR 37 -4.433 -1.182 9.398 313 HG22 THR 37 2HG2 THR 37 -5.577 0.072 8.918 314 HG23 THR 37 3HG2 THR 37 -4.144 0.497 9.859 315 H LYS 38 H LYS 38 -1.553 2.068 8.264 316 HA LYS 38 HA LYS 38 -2.415 3.643 10.513 317 HB2 LYS 38 2HB LYS 38 0.176 2.631 9.474 318 HB3 LYS 38 1HB LYS 38 0.314 4.189 10.267 319 HG2 LYS 38 2HG LYS 38 -0.841 1.668 11.507 320 HG3 LYS 38 1HG LYS 38 0.767 2.341 11.816 321 HD2 LYS 38 2HD LYS 38 -1.907 3.670 12.487 322 HD3 LYS 38 1HD LYS 38 -0.797 2.929 13.644 323 HE2 LYS 38 2HE LYS 38 0.900 4.644 13.143 324 HE3 LYS 38 1HE LYS 38 -0.149 5.356 11.915 325 HZ1 LYS 38 1HZ LYS 38 -0.309 6.624 13.894 326 HZ2 LYS 38 2HZ LYS 38 -0.653 5.257 14.835 327 HZ3 LYS 38 3HZ LYS 38 -1.771 5.801 13.695 328 H PHE 39 H PHE 39 -1.261 4.339 7.296 329 HA PHE 39 HA PHE 39 -0.434 7.019 7.662 330 HB2 PHE 39 2HB PHE 39 0.140 5.288 5.795 331 HB3 PHE 39 1HB PHE 39 -1.341 5.820 5.021 332 HD1 PHE 39 HD1 PHE 39 -1.478 8.116 4.027 333 HD2 PHE 39 HD2 PHE 39 2.126 6.693 5.850 334 HE1 PHE 39 HE1 PHE 39 -0.193 9.919 2.962 335 HE2 PHE 39 HE2 PHE 39 3.373 8.504 4.778 336 HZ PHE 39 HZ PHE 39 2.224 10.111 3.327 337 H LEU 40 H LEU 40 -3.548 5.581 6.799 338 HA LEU 40 HA LEU 40 -4.835 8.063 6.112 339 HB2 LEU 40 2HB LEU 40 -6.858 6.752 5.858 340 HB3 LEU 40 1HB LEU 40 -5.516 5.957 5.072 341 HG LEU 40 HG LEU 40 -5.462 4.569 7.398 342 HD11 LEU 40 1HD1 LEU 40 -8.386 5.285 7.150 343 HD12 LEU 40 2HD1 LEU 40 -7.298 5.788 8.445 344 HD13 LEU 40 3HD1 LEU 40 -7.689 4.083 8.242 345 HD21 LEU 40 1HD2 LEU 40 -5.658 3.516 5.208 346 HD22 LEU 40 2HD2 LEU 40 -7.367 3.944 5.124 347 HD23 LEU 40 3HD2 LEU 40 -6.802 2.793 6.338 348 H GLU 41 H GLU 41 -4.518 6.055 8.981 349 HA GLU 41 HA GLU 41 -6.443 7.388 10.611 350 HB2 GLU 41 2HB GLU 41 -4.102 5.561 11.252 351 HB3 GLU 41 1HB GLU 41 -5.123 6.236 12.519 352 HG2 GLU 41 2HG GLU 41 -6.110 4.467 10.254 353 HG3 GLU 41 1HG GLU 41 -5.733 3.908 11.883 354 H GLU 42 H GLU 42 -3.351 8.334 9.557 355 HA GLU 42 HA GLU 42 -2.596 9.995 11.770 356 HB2 GLU 42 2HB GLU 42 -1.676 9.913 8.878 357 HB3 GLU 42 1HB GLU 42 -0.940 10.943 10.102 358 HG2 GLU 42 2HG GLU 42 -1.021 7.906 10.183 359 HG3 GLU 42 1HG GLU 42 0.345 8.877 9.632 360 H TRP 43 H TRP 43 -3.279 11.095 8.414 361 HA TRP 43 HA TRP 43 -4.217 13.666 9.532 362 HB2 TRP 43 2HB TRP 43 -2.960 13.047 6.839 363 HB3 TRP 43 1HB TRP 43 -3.680 14.603 7.222 364 HD1 TRP 43 HD TRP 43 -1.337 12.652 9.636 365 HE1 TRP 43 HE1 TRP 43 0.756 14.073 10.039 366 HE3 TRP 43 HE3 TRP 43 -2.266 16.409 6.295 367 HZ2 TRP 43 HZ2 TRP 43 1.884 16.450 9.066 368 HZ3 TRP 43 HZ3 TRP 43 -0.607 18.216 6.080 369 HH2 TRP 43 HH TRP 43 1.424 18.232 7.439 370 HA PRO 44 HA PRO 44 -7.463 12.868 5.865 371 HB2 PRO 44 2HB PRO 44 -7.355 9.847 5.752 372 HB3 PRO 44 1HB PRO 44 -7.632 11.014 4.438 373 HG2 PRO 44 2HG PRO 44 -5.286 9.821 4.624 374 HG3 PRO 44 1HG PRO 44 -5.365 11.562 4.257 375 HD2 PRO 44 2HD PRO 44 -4.722 10.220 6.881 376 HD3 PRO 44 1HD PRO 44 -3.944 11.621 6.112 377 H GLY 45 H GLY 45 -7.054 10.469 8.431 378 HA2 GLY 45 2HA GLY 45 -8.360 9.802 10.182 379 HA3 GLY 45 1HA GLY 45 -9.336 11.236 9.911 380 H GLY 46 H GLY 46 -9.155 9.294 7.146 381 HA2 GLY 46 2HA GLY 46 -11.396 7.555 7.648 382 HA3 GLY 46 1HA GLY 46 -11.809 8.975 6.677 383 H GLU 47 H GLU 47 -11.175 5.904 6.302 384 HA GLU 47 HA GLU 47 -8.922 5.805 4.594 385 HB2 GLU 47 2HB GLU 47 -9.382 3.485 4.298 386 HB3 GLU 47 1HB GLU 47 -9.787 3.870 5.962 387 HG2 GLU 47 2HG GLU 47 -11.703 3.367 3.669 388 HG3 GLU 47 1HG GLU 47 -11.393 2.311 5.040 389 H GLU 48 H GLU 48 -12.303 6.432 3.960 390 HA GLU 48 HA GLU 48 -12.865 5.298 1.558 391 HB2 GLU 48 2HB GLU 48 -14.556 7.129 1.237 392 HB3 GLU 48 1HB GLU 48 -14.557 6.423 2.852 393 HG2 GLU 48 2HG GLU 48 -13.331 8.358 3.733 394 HG3 GLU 48 1HG GLU 48 -13.230 9.057 2.116 395 H VAL 49 H VAL 49 -11.136 8.400 1.929 396 HA VAL 49 HA VAL 49 -11.223 9.270 -0.762 397 HB VAL 49 HB VAL 49 -10.720 10.857 0.988 398 HG11 VAL 49 1HG1 VAL 49 -8.161 9.329 1.592 399 HG12 VAL 49 2HG1 VAL 49 -9.610 9.353 2.597 400 HG13 VAL 49 3HG1 VAL 49 -8.679 10.833 2.362 401 HG21 VAL 49 1HG2 VAL 49 -9.706 11.377 -1.209 402 HG22 VAL 49 2HG2 VAL 49 -8.214 10.561 -0.724 403 HG23 VAL 49 3HG2 VAL 49 -8.739 12.022 0.117 404 H LEU 50 H LEU 50 -8.968 7.146 0.876 405 HA LEU 50 HA LEU 50 -7.216 6.976 -1.509 406 HB2 LEU 50 2HB LEU 50 -5.508 6.176 0.272 407 HB3 LEU 50 1HB LEU 50 -5.911 7.872 0.170 408 HG LEU 50 HG LEU 50 -7.600 7.378 2.108 409 HD11 LEU 50 1HD1 LEU 50 -7.444 4.938 2.037 410 HD12 LEU 50 2HD1 LEU 50 -7.001 5.581 3.614 411 HD13 LEU 50 3HD1 LEU 50 -5.743 5.029 2.505 412 HD21 LEU 50 1HD2 LEU 50 -5.887 7.841 3.795 413 HD22 LEU 50 2HD2 LEU 50 -5.639 8.821 2.351 414 HD23 LEU 50 3HD2 LEU 50 -4.620 7.412 2.646 415 H ARG 51 H ARG 51 -9.345 5.211 0.443 416 HA ARG 51 HA ARG 51 -8.175 2.599 0.129 417 HB2 ARG 51 2HB ARG 51 -9.346 3.146 2.190 418 HB3 ARG 51 1HB ARG 51 -10.811 3.547 1.314 419 HG2 ARG 51 2HG ARG 51 -9.825 0.755 0.968 420 HG3 ARG 51 1HG ARG 51 -10.368 1.169 2.592 421 HD2 ARG 51 2HD ARG 51 -12.012 1.441 0.046 422 HD3 ARG 51 1HD ARG 51 -12.179 0.163 1.256 423 HE ARG 51 HE ARG 51 -12.567 2.247 2.798 424 HH11 ARG 51 1HH1 ARG 51 -13.917 1.687 -0.390 425 HH12 ARG 51 2HH1 ARG 51 -15.335 2.628 -0.071 426 HH21 ARG 51 1HH2 ARG 51 -14.382 3.530 3.166 427 HH22 ARG 51 2HH2 ARG 51 -15.599 3.667 1.934 428 H GLU 52 H GLU 52 -10.706 4.544 -1.377 429 HA GLU 52 HA GLU 52 -11.932 2.684 -3.053 430 HB2 GLU 52 2HB GLU 52 -12.437 4.634 -4.539 431 HB3 GLU 52 1HB GLU 52 -12.777 4.954 -2.842 432 HG2 GLU 52 2HG GLU 52 -10.695 6.232 -2.640 433 HG3 GLU 52 1HG GLU 52 -10.302 5.891 -4.326 434 H GLN 53 H GLN 53 -8.799 4.234 -3.325 435 HA GLN 53 HA GLN 53 -8.168 2.731 -5.799 436 HB2 GLN 53 2HB GLN 53 -6.619 4.682 -6.341 437 HB3 GLN 53 1HB GLN 53 -8.342 5.022 -6.452 438 HG2 GLN 53 2HG GLN 53 -8.345 6.282 -4.426 439 HG3 GLN 53 1HG GLN 53 -6.746 5.702 -3.969 440 HE21 GLN 53 1HE2 GLN 53 -5.409 6.113 -6.421 441 HE22 GLN 53 2HE2 GLN 53 -5.261 7.816 -6.666 442 H ALA 54 H ALA 54 -7.792 1.831 -3.091 443 HA ALA 54 HA ALA 54 -5.026 2.083 -2.345 444 HB1 ALA 54 1HB ALA 54 -6.746 1.539 -0.674 445 HB2 ALA 54 2HB ALA 54 -5.518 0.274 -0.730 446 HB3 ALA 54 3HB ALA 54 -7.090 0.016 -1.494 447 H GLY 55 H GLY 55 -3.308 0.940 -3.112 448 HA2 GLY 55 2HA GLY 55 -2.139 -0.847 -4.074 449 HA3 GLY 55 1HA GLY 55 -3.654 -1.591 -4.551 450 H GLY 56 H GLY 56 -4.094 1.478 -5.513 451 HA2 GLY 56 2HA GLY 56 -3.749 0.984 -8.291 452 HA3 GLY 56 1HA GLY 56 -4.149 2.529 -7.550 453 H ASP 57 H ASP 57 -2.079 3.203 -6.069 454 HA ASP 57 HA ASP 57 0.512 2.723 -7.149 455 HB2 ASP 57 2HB ASP 57 -0.261 4.269 -8.942 456 HB3 ASP 57 1HB ASP 57 -0.757 5.452 -7.729 457 H ALA 58 H ALA 58 2.154 3.955 -5.991 458 HA ALA 58 HA ALA 58 1.307 5.306 -3.501 459 HB1 ALA 58 1HB ALA 58 3.244 4.343 -2.323 460 HB2 ALA 58 2HB ALA 58 3.707 3.451 -3.773 461 HB3 ALA 58 3HB ALA 58 2.207 3.055 -2.944 462 H THR 59 H THR 59 3.669 4.903 -6.125 463 HA THR 59 HA THR 59 5.866 6.305 -5.440 464 HB THR 59 HB THR 59 4.571 6.561 -8.190 465 HG1 THR 59 HG1 THR 59 4.749 4.459 -8.144 466 HG21 THR 59 1HG2 THR 59 7.512 6.624 -7.408 467 HG22 THR 59 2HG2 THR 59 6.557 8.027 -7.893 468 HG23 THR 59 3HG2 THR 59 6.870 6.733 -9.050 469 H GLU 60 H GLU 60 3.116 7.838 -7.100 470 HA GLU 60 HA GLU 60 3.905 10.514 -6.095 471 HB2 GLU 60 2HB GLU 60 2.076 9.718 -8.407 472 HB3 GLU 60 1HB GLU 60 2.482 11.375 -7.952 473 HG2 GLU 60 2HG GLU 60 4.836 10.964 -8.537 474 HG3 GLU 60 1HG GLU 60 4.455 9.289 -8.947 475 H ASN 61 H ASN 61 1.588 7.946 -5.836 476 HA ASN 61 HA ASN 61 -0.711 9.644 -5.406 477 HB2 ASN 61 2HB ASN 61 -0.710 7.373 -6.605 478 HB3 ASN 61 1HB ASN 61 -0.645 6.639 -5.011 479 HD21 ASN 61 1HD2 ASN 61 -2.525 6.636 -3.738 480 HD22 ASN 61 2HD2 ASN 61 -4.055 7.173 -4.335 481 H PHE 62 H PHE 62 1.691 8.328 -3.263 482 HA PHE 62 HA PHE 62 0.076 8.043 -0.926 483 HB2 PHE 62 2HB PHE 62 2.169 7.977 0.385 484 HB3 PHE 62 1HB PHE 62 2.256 6.915 -1.005 485 HD1 PHE 62 HD1 PHE 62 3.222 10.483 -0.164 486 HD2 PHE 62 HD2 PHE 62 4.366 6.832 -2.057 487 HE1 PHE 62 HE1 PHE 62 5.408 11.430 -0.686 488 HE2 PHE 62 HE2 PHE 62 6.548 7.806 -2.590 489 HZ PHE 62 HZ PHE 62 7.079 10.108 -1.909 490 H GLU 63 H GLU 63 1.670 10.712 -2.470 491 HA GLU 63 HA GLU 63 1.182 12.630 -0.332 492 HB2 GLU 63 2HB GLU 63 3.273 12.716 -1.681 493 HB3 GLU 63 1HB GLU 63 2.323 12.960 -3.146 494 HG2 GLU 63 2HG GLU 63 1.493 15.124 -2.195 495 HG3 GLU 63 1HG GLU 63 2.534 14.872 -0.796 496 H ASP 64 H ASP 64 -0.159 11.626 -3.425 497 HA ASP 64 HA ASP 64 -1.849 13.776 -4.047 498 HB2 ASP 64 2HB ASP 64 -1.352 11.968 -5.661 499 HB3 ASP 64 1HB ASP 64 -2.196 10.805 -4.649 500 H VAL 65 H VAL 65 -2.509 10.823 -2.189 501 HA VAL 65 HA VAL 65 -5.218 11.730 -1.482 502 HB VAL 65 HB VAL 65 -5.635 9.413 -0.778 503 HG11 VAL 65 1HG1 VAL 65 -6.006 9.977 -3.132 504 HG12 VAL 65 2HG1 VAL 65 -5.467 8.305 -2.976 505 HG13 VAL 65 3HG1 VAL 65 -4.337 9.549 -3.521 506 HG21 VAL 65 1HG2 VAL 65 -3.941 7.621 -1.115 507 HG22 VAL 65 2HG2 VAL 65 -3.418 8.786 0.101 508 HG23 VAL 65 3HG2 VAL 65 -2.735 8.841 -1.522 509 H GLY 66 H GLY 66 -2.089 11.177 -0.054 510 HA2 GLY 66 2HA GLY 66 -3.107 10.855 2.669 511 HA3 GLY 66 1HA GLY 66 -1.445 10.695 2.128 512 H PHE 67 H PHE 67 -0.060 12.388 2.388 513 HA PHE 67 HA PHE 67 -1.160 14.855 3.644 514 HB2 PHE 67 2HB PHE 67 1.749 14.058 3.969 515 HB3 PHE 67 1HB PHE 67 0.743 15.031 5.026 516 HD1 PHE 67 HD1 PHE 67 -1.515 12.674 5.073 517 HD2 PHE 67 HD2 PHE 67 2.679 12.881 5.888 518 HE1 PHE 67 HE1 PHE 67 -1.699 10.749 6.574 519 HE2 PHE 67 HE2 PHE 67 2.463 10.955 7.382 520 HZ PHE 67 HZ PHE 67 0.289 9.884 7.725 521 H SER 68 H SER 68 0.770 16.657 3.398 522 HA SER 68 HA SER 68 1.195 17.178 0.579 523 HB2 SER 68 2HB SER 68 2.130 18.667 3.075 524 HB3 SER 68 1HB SER 68 2.205 19.286 1.425 525 HG SER 68 HG SER 68 -0.232 18.664 1.590 526 H THR 69 H THR 69 4.001 18.415 1.263 527 HA THR 69 HA THR 69 5.649 16.274 0.433 528 HB THR 69 HB THR 69 6.669 18.755 1.871 529 HG1 THR 69 HG1 THR 69 6.554 19.720 -0.265 530 HG21 THR 69 1HG2 THR 69 8.393 17.080 1.200 531 HG22 THR 69 2HG2 THR 69 8.553 18.573 0.274 532 HG23 THR 69 3HG2 THR 69 7.811 17.155 -0.467 533 H ASP 70 H ASP 70 4.385 16.978 3.543 534 HA ASP 70 HA ASP 70 6.138 15.733 5.330 535 HB2 ASP 70 2HB ASP 70 3.094 15.453 5.331 536 HB3 ASP 70 1HB ASP 70 4.171 15.282 6.718 537 H ALA 71 H ALA 71 3.872 14.396 3.019 538 HA ALA 71 HA ALA 71 3.687 11.753 3.907 539 HB1 ALA 71 1HB ALA 71 2.715 11.271 1.688 540 HB2 ALA 71 2HB ALA 71 3.275 12.845 1.116 541 HB3 ALA 71 3HB ALA 71 2.055 12.756 2.383 542 H ARG 72 H ARG 72 6.278 13.306 2.152 543 HA ARG 72 HA ARG 72 7.259 11.170 0.604 544 HB2 ARG 72 2HB ARG 72 9.025 13.266 1.933 545 HB3 ARG 72 1HB ARG 72 9.400 12.326 0.490 546 HG2 ARG 72 2HG ARG 72 7.349 14.538 0.771 547 HG3 ARG 72 1HG ARG 72 8.843 14.579 -0.163 548 HD2 ARG 72 2HD ARG 72 6.467 12.781 -0.744 549 HD3 ARG 72 1HD ARG 72 6.803 14.314 -1.551 550 HE ARG 72 HE ARG 72 8.987 12.446 -1.702 551 HH11 ARG 72 1HH1 ARG 72 5.949 13.400 -3.214 552 HH12 ARG 72 2HH1 ARG 72 6.375 12.725 -4.755 553 HH21 ARG 72 1HH2 ARG 72 9.531 11.595 -3.723 554 HH22 ARG 72 2HH2 ARG 72 8.412 11.697 -5.045 555 H GLU 73 H GLU 73 8.807 12.277 3.651 556 HA GLU 73 HA GLU 73 10.285 9.919 4.045 557 HB2 GLU 73 2HB GLU 73 10.708 10.796 6.355 558 HB3 GLU 73 1HB GLU 73 11.030 11.971 5.082 559 HG2 GLU 73 2HG GLU 73 8.945 13.126 5.550 560 HG3 GLU 73 1HG GLU 73 8.483 11.901 6.728 561 H LEU 74 H LEU 74 7.106 10.923 5.282 562 HA LEU 74 HA LEU 74 6.772 8.985 7.269 563 HB2 LEU 74 2HB LEU 74 4.949 10.816 5.779 564 HB3 LEU 74 1HB LEU 74 4.177 9.463 6.571 565 HG LEU 74 HG LEU 74 4.088 11.456 7.989 566 HD11 LEU 74 1HD1 LEU 74 4.957 10.527 10.068 567 HD12 LEU 74 2HD1 LEU 74 5.934 9.365 9.164 568 HD13 LEU 74 3HD1 LEU 74 4.171 9.287 9.092 569 HD21 LEU 74 1HD2 LEU 74 6.097 12.629 7.223 570 HD22 LEU 74 2HD2 LEU 74 7.124 11.424 8.005 571 HD23 LEU 74 3HD2 LEU 74 6.086 12.471 8.978 572 H SER 75 H SER 75 5.820 8.817 3.801 573 HA SER 75 HA SER 75 4.535 6.272 4.030 574 HB2 SER 75 2HB SER 75 4.529 6.248 1.562 575 HB3 SER 75 1HB SER 75 4.020 7.825 2.174 576 HG SER 75 HG SER 75 5.862 8.705 1.492 577 H LYS 76 H LYS 76 7.756 7.322 2.991 578 HA LYS 76 HA LYS 76 8.893 4.868 2.281 579 HB2 LYS 76 2HB LYS 76 9.977 7.546 3.146 580 HB3 LYS 76 1HB LYS 76 11.093 6.199 3.121 581 HG2 LYS 76 2HG LYS 76 11.261 7.520 1.089 582 HG3 LYS 76 1HG LYS 76 10.751 5.879 0.738 583 HD2 LYS 76 2HD LYS 76 8.640 8.007 0.982 584 HD3 LYS 76 1HD LYS 76 9.652 7.999 -0.456 585 HE2 LYS 76 2HE LYS 76 7.898 5.704 0.496 586 HE3 LYS 76 1HE LYS 76 7.557 6.794 -0.849 587 HZ1 LYS 76 1HZ LYS 76 9.527 5.971 -1.980 588 HZ2 LYS 76 2HZ LYS 76 8.478 4.692 -1.622 589 HZ3 LYS 76 3HZ LYS 76 9.871 4.927 -0.694 590 H LYS 77 H LYS 77 8.400 6.313 5.455 591 HA LYS 77 HA LYS 77 9.946 4.303 6.879 592 HB2 LYS 77 2HB LYS 77 8.129 6.521 7.902 593 HB3 LYS 77 1HB LYS 77 9.090 5.459 8.934 594 HG2 LYS 77 2HG LYS 77 11.153 6.320 7.926 595 HG3 LYS 77 1HG LYS 77 10.222 7.357 6.849 596 HD2 LYS 77 2HD LYS 77 11.062 8.695 8.680 597 HD3 LYS 77 1HD LYS 77 9.310 8.558 8.847 598 HE2 LYS 77 2HE LYS 77 9.605 6.831 10.577 599 HE3 LYS 77 1HE LYS 77 11.357 6.907 10.373 600 HZ1 LYS 77 1HZ LYS 77 11.302 9.201 11.121 601 HZ2 LYS 77 2HZ LYS 77 10.628 8.174 12.281 602 HZ3 LYS 77 3HZ LYS 77 9.624 9.125 11.308 603 H TYR 78 H TYR 78 6.608 4.798 5.923 604 HA TYR 78 HA TYR 78 5.517 2.804 7.751 605 HB2 TYR 78 2HB TYR 78 4.263 4.649 5.698 606 HB3 TYR 78 1HB TYR 78 3.336 3.332 6.406 607 HD1 TYR 78 HD1 TYR 78 5.787 5.222 8.472 608 HD2 TYR 78 HD2 TYR 78 1.678 4.873 7.334 609 HE1 TYR 78 HE1 TYR 78 5.149 6.687 10.323 610 HE2 TYR 78 HE2 TYR 78 1.045 6.346 9.191 611 HH TYR 78 HH TYR 78 3.184 8.274 10.815 612 H ILE 79 H ILE 79 7.414 2.260 5.279 613 HA ILE 79 HA ILE 79 5.966 0.527 3.573 614 HB ILE 79 HB ILE 79 8.181 1.380 2.921 615 HG12 ILE 79 2HG1 ILE 79 8.138 -1.675 3.084 616 HG13 ILE 79 1HG1 ILE 79 7.320 -0.698 1.869 617 HG21 ILE 79 1HG2 ILE 79 9.318 1.355 5.099 618 HG22 ILE 79 2HG2 ILE 79 10.282 0.533 3.873 619 HG23 ILE 79 3HG2 ILE 79 9.382 -0.411 5.064 620 HD11 ILE 79 1HD1 ILE 79 10.297 -0.937 2.255 621 HD12 ILE 79 2HD1 ILE 79 9.496 0.099 1.070 622 HD13 ILE 79 3HD1 ILE 79 9.324 -1.652 0.970 623 H ILE 80 H ILE 80 5.260 -1.497 3.869 624 HA ILE 80 HA ILE 80 5.696 -2.750 6.514 625 HB ILE 80 HB ILE 80 3.371 -2.076 5.988 626 HG12 ILE 80 2HG1 ILE 80 3.656 -5.115 6.138 627 HG13 ILE 80 1HG1 ILE 80 3.829 -4.014 7.501 628 HG21 ILE 80 1HG2 ILE 80 3.436 -4.105 3.724 629 HG22 ILE 80 2HG2 ILE 80 3.375 -2.349 3.547 630 HG23 ILE 80 3HG2 ILE 80 2.019 -3.205 4.281 631 HD11 ILE 80 1HD1 ILE 80 1.655 -5.067 7.498 632 HD12 ILE 80 2HD1 ILE 80 1.318 -4.438 5.886 633 HD13 ILE 80 3HD1 ILE 80 1.498 -3.329 7.250 634 H GLY 81 H GLY 81 5.949 -3.278 3.055 635 HA2 GLY 81 2HA GLY 81 7.760 -5.436 3.301 636 HA3 GLY 81 1HA GLY 81 6.145 -6.065 2.973 637 H GLU 82 H GLU 82 7.013 -6.930 1.033 638 HA GLU 82 HA GLU 82 7.127 -4.950 -1.151 639 HB2 GLU 82 2HB GLU 82 8.548 -6.428 -2.439 640 HB3 GLU 82 1HB GLU 82 9.308 -6.097 -0.889 641 HG2 GLU 82 2HG GLU 82 8.698 -8.300 -0.062 642 HG3 GLU 82 1HG GLU 82 7.790 -8.640 -1.534 643 H LEU 83 H LEU 83 5.701 -5.208 -2.745 644 HA LEU 83 HA LEU 83 3.653 -7.202 -2.735 645 HB2 LEU 83 2HB LEU 83 3.695 -4.689 -3.662 646 HB3 LEU 83 1HB LEU 83 4.289 -5.442 -5.131 647 HG LEU 83 HG LEU 83 1.834 -4.970 -5.151 648 HD11 LEU 83 1HD1 LEU 83 1.029 -7.057 -6.039 649 HD12 LEU 83 2HD1 LEU 83 2.382 -7.929 -5.315 650 HD13 LEU 83 3HD1 LEU 83 2.673 -6.751 -6.596 651 HD21 LEU 83 1HD2 LEU 83 0.295 -6.266 -3.786 652 HD22 LEU 83 2HD2 LEU 83 1.379 -5.307 -2.780 653 HD23 LEU 83 3HD2 LEU 83 1.646 -7.044 -2.957 654 H HIS 84 H HIS 84 3.425 -8.936 -4.272 655 HA HIS 84 HA HIS 84 5.813 -10.243 -5.135 656 HB2 HIS 84 2HB HIS 84 2.918 -10.778 -5.928 657 HB3 HIS 84 1HB HIS 84 4.276 -11.855 -6.249 658 HD1 HIS 84 HD1 HIS 84 1.711 -12.524 -4.511 659 HD2 HIS 84 HD2 HIS 84 5.467 -11.530 -3.059 660 HE1 HIS 84 HE1 HIS 84 1.806 -13.460 -2.190 661 HE2 HIS 84 HE2 HIS 84 4.180 -13.082 -1.451 662 HA PRO 85 HA PRO 85 6.390 -7.907 -9.002 663 HB2 PRO 85 2HB PRO 85 8.106 -9.771 -10.233 664 HB3 PRO 85 1HB PRO 85 8.619 -8.500 -9.103 665 HG2 PRO 85 2HG PRO 85 8.093 -11.400 -8.571 666 HG3 PRO 85 1HG PRO 85 9.371 -10.348 -7.924 667 HD2 PRO 85 2HD PRO 85 7.213 -10.997 -6.437 668 HD3 PRO 85 1HD PRO 85 7.963 -9.389 -6.317 669 H ASP 86 H ASP 86 5.104 -11.114 -8.733 670 HA ASP 86 HA ASP 86 4.156 -11.410 -11.436 671 HB2 ASP 86 2HB ASP 86 4.587 -13.401 -10.039 672 HB3 ASP 86 1HB ASP 86 3.382 -12.872 -8.872 673 H ASP 87 H ASP 87 2.692 -10.531 -8.292 674 HA ASP 87 HA ASP 87 0.018 -10.371 -9.313 675 HB2 ASP 87 2HB ASP 87 1.260 -9.628 -6.649 676 HB3 ASP 87 1HB ASP 87 -0.424 -9.268 -6.987 677 H ARG 88 H ARG 88 2.581 -8.001 -8.777 678 HA ARG 88 HA ARG 88 0.934 -5.687 -9.174 679 HB2 ARG 88 2HB ARG 88 3.011 -4.407 -9.293 680 HB3 ARG 88 1HB ARG 88 3.081 -5.551 -7.970 681 HG2 ARG 88 2HG ARG 88 5.209 -5.808 -8.800 682 HG3 ARG 88 1HG ARG 88 4.387 -7.056 -9.734 683 HD2 ARG 88 2HD ARG 88 4.183 -5.446 -11.630 684 HD3 ARG 88 1HD ARG 88 5.069 -4.250 -10.679 685 HE ARG 88 HE ARG 88 6.617 -6.588 -10.832 686 HH11 ARG 88 1HH1 ARG 88 5.465 -4.036 -12.974 687 HH12 ARG 88 2HH1 ARG 88 6.817 -4.172 -14.055 688 HH21 ARG 88 1HH2 ARG 88 8.396 -6.740 -12.277 689 HH22 ARG 88 2HH2 ARG 88 8.467 -5.697 -13.660 690 H SER 89 H SER 89 2.328 -8.002 -11.277 691 HA SER 89 HA SER 89 2.200 -6.351 -13.695 692 HB2 SER 89 2HB SER 89 4.142 -7.849 -13.394 693 HB3 SER 89 1HB SER 89 3.073 -9.239 -13.241 694 HG SER 89 HG SER 89 2.994 -7.625 -15.548 695 H LYS 90 H LYS 90 0.624 -9.166 -12.222 696 HA LYS 90 HA LYS 90 -1.129 -9.829 -14.371 697 HB2 LYS 90 2HB LYS 90 -0.516 -11.534 -12.730 698 HB3 LYS 90 1HB LYS 90 -1.149 -10.563 -11.409 699 HG2 LYS 90 2HG LYS 90 -3.432 -10.882 -12.225 700 HG3 LYS 90 1HG LYS 90 -2.837 -11.767 -13.626 701 HD2 LYS 90 2HD LYS 90 -3.739 -13.319 -11.984 702 HD3 LYS 90 1HD LYS 90 -2.001 -13.559 -12.133 703 HE2 LYS 90 2HE LYS 90 -3.149 -11.835 -9.924 704 HE3 LYS 90 1HE LYS 90 -3.071 -13.587 -9.761 705 HZ1 LYS 90 1HZ LYS 90 -1.155 -12.552 -8.759 706 HZ2 LYS 90 2HZ LYS 90 -0.762 -11.778 -10.206 707 HZ3 LYS 90 3HZ LYS 90 -0.669 -13.457 -10.106 708 H ILE 91 H ILE 91 -1.566 -8.181 -11.243 709 HA ILE 91 HA ILE 91 -4.255 -7.252 -11.968 710 HB ILE 91 HB ILE 91 -2.895 -6.916 -9.263 711 HG12 ILE 91 2HG1 ILE 91 -4.334 -9.427 -10.245 712 HG13 ILE 91 1HG1 ILE 91 -2.617 -9.287 -9.936 713 HG21 ILE 91 1HG2 ILE 91 -5.034 -5.739 -9.553 714 HG22 ILE 91 2HG2 ILE 91 -5.200 -7.035 -8.368 715 HG23 ILE 91 3HG2 ILE 91 -5.827 -7.250 -10.005 716 HD11 ILE 91 1HD1 ILE 91 -4.795 -9.120 -7.870 717 HD12 ILE 91 2HD1 ILE 91 -3.063 -8.949 -7.567 718 HD13 ILE 91 3HD1 ILE 91 -3.707 -10.475 -8.168 719 H ALA 92 H ALA 92 -1.649 -6.182 -13.066 720 HA ALA 92 HA ALA 92 -1.103 -3.559 -12.268 721 HB1 ALA 92 1HB ALA 92 -0.226 -3.230 -14.557 722 HB2 ALA 92 2HB ALA 92 -1.041 -4.704 -15.088 723 HB3 ALA 92 3HB ALA 92 0.270 -4.797 -13.911 724 H LYS 93 H LYS 93 -3.730 -4.888 -14.159 725 HA LYS 93 HA LYS 93 -5.138 -2.284 -14.234 726 HB2 LYS 93 2HB LYS 93 -5.786 -4.929 -15.625 727 HB3 LYS 93 1HB LYS 93 -6.692 -3.428 -15.809 728 HG2 LYS 93 2HG LYS 93 -4.804 -2.363 -16.913 729 HG3 LYS 93 1HG LYS 93 -3.780 -3.771 -16.615 730 HD2 LYS 93 2HD LYS 93 -6.277 -3.739 -18.365 731 HD3 LYS 93 1HD LYS 93 -4.617 -3.654 -18.960 732 HE2 LYS 93 2HE LYS 93 -4.211 -5.908 -17.876 733 HE3 LYS 93 1HE LYS 93 -5.938 -5.982 -17.525 734 HZ1 LYS 93 1HZ LYS 93 -4.736 -5.777 -20.235 735 HZ2 LYS 93 2HZ LYS 93 -6.386 -5.880 -19.886 736 HZ3 LYS 93 3HZ LYS 93 -5.369 -7.182 -19.535 737 HA PRO 94 HA PRO 94 -6.742 -4.654 -10.579 738 HB2 PRO 94 2HB PRO 94 -6.891 -2.668 -8.757 739 HB3 PRO 94 1HB PRO 94 -5.322 -3.346 -9.254 740 HG2 PRO 94 2HG PRO 94 -6.637 -0.792 -10.134 741 HG3 PRO 94 1HG PRO 94 -4.941 -1.106 -9.722 742 HD2 PRO 94 2HD PRO 94 -5.934 -1.037 -12.322 743 HD3 PRO 94 1HD PRO 94 -4.438 -1.869 -11.849 744 H SER 95 H SER 95 -8.818 -5.137 -10.133 745 HA SER 95 HA SER 95 -10.731 -4.166 -11.975 746 HB2 SER 95 2HB SER 95 -10.629 -6.534 -11.414 747 HB3 SER 95 1HB SER 95 -10.941 -6.195 -9.712 748 HG SER 95 HG SER 95 -12.987 -6.096 -10.122 749 H GLU 96 H GLU 96 -10.797 -4.233 -8.392 750 HA GLU 96 HA GLU 96 -13.013 -2.253 -8.406 751 HB2 GLU 96 2HB GLU 96 -12.169 -4.233 -6.243 752 HB3 GLU 96 1HB GLU 96 -13.473 -3.056 -6.080 753 HG2 GLU 96 2HG GLU 96 -14.743 -4.138 -7.843 754 HG3 GLU 96 1HG GLU 96 -13.422 -5.262 -8.166 755 H THR 97 H THR 97 -10.876 -1.031 -8.992 756 HA THR 97 HA THR 97 -9.981 0.425 -6.616 757 HB THR 97 HB THR 97 -8.060 -0.787 -8.650 758 HG1 THR 97 HG1 THR 97 -8.752 -2.263 -7.053 759 HG21 THR 97 1HG2 THR 97 -6.225 0.178 -7.325 760 HG22 THR 97 2HG2 THR 97 -7.388 0.945 -6.241 761 HG23 THR 97 3HG2 THR 97 -7.280 1.459 -7.927 762 H LEU 98 H LEU 98 -9.264 0.132 -10.095 763 HA LEU 98 HA LEU 98 -10.550 2.425 -11.024 764 HB2 LEU 98 2HB LEU 98 -8.678 3.455 -9.500 765 HB3 LEU 98 1HB LEU 98 -7.555 2.941 -10.738 766 HG LEU 98 HG LEU 98 -9.857 4.861 -11.297 767 HD11 LEU 98 1HD1 LEU 98 -6.995 5.585 -10.607 768 HD12 LEU 98 2HD1 LEU 98 -8.418 5.884 -9.605 769 HD13 LEU 98 3HD1 LEU 98 -8.245 6.708 -11.152 770 HD21 LEU 98 1HD2 LEU 98 -8.561 5.493 -13.291 771 HD22 LEU 98 2HD2 LEU 98 -8.927 3.770 -13.304 772 HD23 LEU 98 3HD2 LEU 98 -7.310 4.320 -12.864 Start of MODEL 9 1 H1 ALA 1 1H ALA 1 11.320 -23.244 9.813 2 H2 ALA 1 2H ALA 1 12.359 -22.594 10.974 3 H3 ALA 1 3H ALA 1 12.846 -23.928 10.052 4 HA ALA 1 HA ALA 1 13.915 -21.936 9.267 5 HB1 ALA 1 1HB ALA 1 13.264 -22.111 6.879 6 HB2 ALA 1 2HB ALA 1 11.807 -22.997 7.344 7 HB3 ALA 1 3HB ALA 1 13.396 -23.704 7.631 8 H GLU 2 H GLU 2 13.715 -19.791 9.620 9 HA GLU 2 HA GLU 2 11.269 -18.354 9.875 10 HB2 GLU 2 2HB GLU 2 14.162 -17.445 9.529 11 HB3 GLU 2 1HB GLU 2 12.834 -16.310 9.783 12 HG2 GLU 2 2HG GLU 2 12.358 -17.317 11.966 13 HG3 GLU 2 1HG GLU 2 13.627 -18.517 11.713 14 H GLN 3 H GLN 3 10.210 -17.038 8.415 15 HA GLN 3 HA GLN 3 10.713 -17.418 5.582 16 HB2 GLN 3 2HB GLN 3 8.387 -17.360 6.568 17 HB3 GLN 3 1HB GLN 3 8.616 -15.658 6.941 18 HG2 GLN 3 2HG GLN 3 7.264 -15.932 4.910 19 HG3 GLN 3 1HG GLN 3 8.784 -15.125 4.543 20 HE21 GLN 3 1HE2 GLN 3 6.922 -18.054 4.131 21 HE22 GLN 3 2HE2 GLN 3 7.902 -18.733 2.881 22 H SER 4 H SER 4 11.009 -15.642 4.085 23 HA SER 4 HA SER 4 12.937 -13.700 4.665 24 HB2 SER 4 2HB SER 4 12.144 -12.727 2.415 25 HB3 SER 4 1HB SER 4 12.630 -14.423 2.401 26 HG SER 4 HG SER 4 9.949 -13.451 2.552 27 H ASP 5 H ASP 5 9.500 -13.632 5.089 28 HA ASP 5 HA ASP 5 8.996 -10.864 5.200 29 HB2 ASP 5 2HB ASP 5 7.497 -13.255 6.325 30 HB3 ASP 5 1HB ASP 5 6.882 -11.606 6.433 31 H LYS 6 H LYS 6 10.630 -12.850 7.442 32 HA LYS 6 HA LYS 6 10.236 -11.494 9.876 33 HB2 LYS 6 2HB LYS 6 11.430 -13.616 9.801 34 HB3 LYS 6 1HB LYS 6 12.658 -12.951 8.738 35 HG2 LYS 6 2HG LYS 6 13.634 -13.151 10.908 36 HG3 LYS 6 1HG LYS 6 13.371 -11.432 10.606 37 HD2 LYS 6 2HD LYS 6 11.262 -11.574 11.980 38 HD3 LYS 6 1HD LYS 6 11.675 -13.252 12.360 39 HE2 LYS 6 2HE LYS 6 13.308 -10.786 13.071 40 HE3 LYS 6 1HE LYS 6 12.374 -11.776 14.191 41 HZ1 LYS 6 1HZ LYS 6 14.785 -12.636 12.673 42 HZ2 LYS 6 2HZ LYS 6 13.864 -13.649 13.662 43 HZ3 LYS 6 3HZ LYS 6 14.698 -12.339 14.335 44 H ASP 7 H ASP 7 12.409 -10.870 7.139 45 HA ASP 7 HA ASP 7 13.384 -8.340 8.249 46 HB2 ASP 7 2HB ASP 7 15.026 -9.807 7.159 47 HB3 ASP 7 1HB ASP 7 14.071 -9.833 5.678 48 H VAL 8 H VAL 8 11.840 -9.427 5.193 49 HA VAL 8 HA VAL 8 10.476 -6.822 4.897 50 HB VAL 8 HB VAL 8 12.490 -6.653 3.539 51 HG11 VAL 8 1HG1 VAL 8 13.040 -8.183 1.686 52 HG12 VAL 8 2HG1 VAL 8 11.689 -9.225 2.137 53 HG13 VAL 8 3HG1 VAL 8 13.051 -9.021 3.243 54 HG21 VAL 8 1HG2 VAL 8 10.458 -5.635 2.613 55 HG22 VAL 8 2HG2 VAL 8 10.088 -7.128 1.744 56 HG23 VAL 8 3HG2 VAL 8 11.526 -6.195 1.324 57 H LYS 9 H LYS 9 8.350 -7.061 4.380 58 HA LYS 9 HA LYS 9 7.330 -9.790 4.294 59 HB2 LYS 9 2HB LYS 9 5.893 -7.147 4.738 60 HB3 LYS 9 1HB LYS 9 5.142 -8.744 4.865 61 HG2 LYS 9 2HG LYS 9 6.761 -9.329 6.667 62 HG3 LYS 9 1HG LYS 9 7.430 -7.697 6.570 63 HD2 LYS 9 2HD LYS 9 5.252 -6.762 7.283 64 HD3 LYS 9 1HD LYS 9 4.568 -8.393 7.354 65 HE2 LYS 9 2HE LYS 9 6.224 -8.994 9.099 66 HE3 LYS 9 1HE LYS 9 6.873 -7.353 9.040 67 HZ1 LYS 9 1HZ LYS 9 4.139 -8.143 9.869 68 HZ2 LYS 9 2HZ LYS 9 4.678 -6.549 9.722 69 HZ3 LYS 9 3HZ LYS 9 5.376 -7.575 10.872 70 H TYR 10 H TYR 10 6.676 -10.761 2.546 71 HA TYR 10 HA TYR 10 6.522 -9.382 -0.005 72 HB2 TYR 10 2HB TYR 10 6.594 -12.297 0.840 73 HB3 TYR 10 1HB TYR 10 6.266 -11.837 -0.829 74 HD1 TYR 10 HD1 TYR 10 8.789 -11.379 1.907 75 HD2 TYR 10 HD2 TYR 10 8.055 -11.400 -2.299 76 HE1 TYR 10 HE1 TYR 10 11.198 -11.168 1.491 77 HE2 TYR 10 HE2 TYR 10 10.466 -11.189 -2.717 78 HH TYR 10 HH TYR 10 12.481 -10.198 -1.359 79 H TYR 11 H TYR 11 4.679 -8.336 -0.283 80 HA TYR 11 HA TYR 11 2.071 -9.484 0.386 81 HB2 TYR 11 2HB TYR 11 3.133 -6.736 -0.233 82 HB3 TYR 11 1HB TYR 11 1.462 -7.041 -0.671 83 HD1 TYR 11 HD1 TYR 11 -0.216 -6.791 0.931 84 HD2 TYR 11 HD2 TYR 11 3.824 -7.259 2.263 85 HE1 TYR 11 HE1 TYR 11 -0.921 -6.330 3.222 86 HE2 TYR 11 HE2 TYR 11 3.112 -6.796 4.567 87 HH TYR 11 HH TYR 11 -0.221 -6.698 5.474 88 H THR 12 H THR 12 0.493 -9.876 -1.093 89 HA THR 12 HA THR 12 1.092 -9.805 -3.980 90 HB THR 12 HB THR 12 -1.034 -11.046 -4.275 91 HG1 THR 12 HG1 THR 12 -1.381 -10.332 -1.616 92 HG21 THR 12 1HG2 THR 12 -0.525 -13.162 -3.117 93 HG22 THR 12 2HG2 THR 12 0.631 -12.320 -2.082 94 HG23 THR 12 3HG2 THR 12 0.932 -12.446 -3.817 95 H LEU 13 H LEU 13 0.066 -8.302 -5.278 96 HA LEU 13 HA LEU 13 -1.440 -6.135 -4.229 97 HB2 LEU 13 2HB LEU 13 -0.018 -6.188 -6.378 98 HB3 LEU 13 1HB LEU 13 -1.372 -6.997 -7.147 99 HG LEU 13 HG LEU 13 -2.808 -5.009 -6.734 100 HD11 LEU 13 1HD1 LEU 13 -0.316 -3.792 -5.499 101 HD12 LEU 13 2HD1 LEU 13 -1.811 -4.219 -4.660 102 HD13 LEU 13 3HD1 LEU 13 -1.815 -2.925 -5.853 103 HD21 LEU 13 1HD2 LEU 13 -0.190 -4.279 -8.097 104 HD22 LEU 13 2HD2 LEU 13 -1.739 -3.456 -8.308 105 HD23 LEU 13 3HD2 LEU 13 -1.548 -5.123 -8.848 106 H GLU 14 H GLU 14 -2.217 -9.324 -5.119 107 HA GLU 14 HA GLU 14 -4.954 -9.205 -5.761 108 HB2 GLU 14 2HB GLU 14 -3.216 -11.142 -5.980 109 HB3 GLU 14 1HB GLU 14 -3.583 -11.504 -4.301 110 HG2 GLU 14 2HG GLU 14 -5.615 -11.495 -6.558 111 HG3 GLU 14 1HG GLU 14 -4.777 -12.931 -5.990 112 H GLU 15 H GLU 15 -3.240 -9.606 -2.674 113 HA GLU 15 HA GLU 15 -5.533 -9.818 -0.997 114 HB2 GLU 15 2HB GLU 15 -3.269 -10.605 -0.334 115 HB3 GLU 15 1HB GLU 15 -2.697 -8.939 -0.309 116 HG2 GLU 15 2HG GLU 15 -4.323 -8.445 1.513 117 HG3 GLU 15 1HG GLU 15 -4.803 -10.141 1.518 118 H ILE 16 H ILE 16 -3.503 -7.074 -2.016 119 HA ILE 16 HA ILE 16 -4.714 -5.124 -0.306 120 HB ILE 16 HB ILE 16 -3.137 -4.610 -2.869 121 HG12 ILE 16 2HG1 ILE 16 -2.035 -4.907 -0.026 122 HG13 ILE 16 1HG1 ILE 16 -1.865 -6.109 -1.302 123 HG21 ILE 16 1HG2 ILE 16 -3.577 -2.868 -0.415 124 HG22 ILE 16 2HG2 ILE 16 -4.332 -2.641 -1.994 125 HG23 ILE 16 3HG2 ILE 16 -2.590 -2.442 -1.817 126 HD11 ILE 16 1HD1 ILE 16 -0.700 -3.326 -1.309 127 HD12 ILE 16 2HD1 ILE 16 -0.566 -4.497 -2.625 128 HD13 ILE 16 3HD1 ILE 16 0.166 -4.843 -1.059 129 H GLN 17 H GLN 17 -5.361 -6.353 -3.533 130 HA GLN 17 HA GLN 17 -7.207 -4.441 -4.474 131 HB2 GLN 17 2HB GLN 17 -6.241 -6.071 -5.990 132 HB3 GLN 17 1HB GLN 17 -6.884 -7.414 -5.066 133 HG2 GLN 17 2HG GLN 17 -8.736 -5.450 -6.435 134 HG3 GLN 17 1HG GLN 17 -8.005 -6.777 -7.335 135 HE21 GLN 17 1HE2 GLN 17 -10.841 -6.214 -6.655 136 HE22 GLN 17 2HE2 GLN 17 -11.418 -7.647 -5.886 137 H LYS 18 H LYS 18 -7.517 -7.016 -2.117 138 HA LYS 18 HA LYS 18 -10.406 -6.907 -1.916 139 HB2 LYS 18 2HB LYS 18 -8.376 -8.173 -0.029 140 HB3 LYS 18 1HB LYS 18 -10.118 -8.446 -0.009 141 HG2 LYS 18 2HG LYS 18 -9.887 -9.402 -2.354 142 HG3 LYS 18 1HG LYS 18 -8.132 -9.312 -2.136 143 HD2 LYS 18 2HD LYS 18 -8.366 -10.770 -0.095 144 HD3 LYS 18 1HD LYS 18 -10.093 -10.908 -0.435 145 HE2 LYS 18 2HE LYS 18 -7.802 -11.942 -2.129 146 HE3 LYS 18 1HE LYS 18 -8.998 -12.895 -1.251 147 HZ1 LYS 18 1HZ LYS 18 -10.703 -11.887 -2.752 148 HZ2 LYS 18 2HZ LYS 18 -9.588 -12.893 -3.524 149 HZ3 LYS 18 3HZ LYS 18 -9.437 -11.217 -3.659 150 H HIS 19 H HIS 19 -9.058 -4.379 -1.623 151 HA HIS 19 HA HIS 19 -9.042 -3.435 1.049 152 HB2 HIS 19 2HB HIS 19 -9.057 -1.142 -0.157 153 HB3 HIS 19 1HB HIS 19 -7.702 -2.213 -0.467 154 HD1 HIS 19 HD1 HIS 19 -7.041 -2.173 -2.855 155 HD2 HIS 19 HD2 HIS 19 -11.121 -1.548 -2.461 156 HE1 HIS 19 HE1 HIS 19 -7.887 -1.764 -5.173 157 HE2 HIS 19 HE2 HIS 19 -10.303 -1.142 -4.867 158 H LYS 20 H LYS 20 -11.091 -4.340 1.761 159 HA LYS 20 HA LYS 20 -13.372 -2.509 1.290 160 HB2 LYS 20 2HB LYS 20 -13.520 -5.560 1.472 161 HB3 LYS 20 1HB LYS 20 -14.921 -4.521 1.664 162 HG2 LYS 20 2HG LYS 20 -15.114 -5.173 -0.561 163 HG3 LYS 20 1HG LYS 20 -14.308 -3.611 -0.707 164 HD2 LYS 20 2HD LYS 20 -12.103 -4.939 -0.797 165 HD3 LYS 20 1HD LYS 20 -13.095 -6.381 -0.985 166 HE2 LYS 20 2HE LYS 20 -13.102 -3.987 -2.854 167 HE3 LYS 20 1HE LYS 20 -12.255 -5.501 -3.153 168 HZ1 LYS 20 1HZ LYS 20 -14.330 -5.434 -4.352 169 HZ2 LYS 20 2HZ LYS 20 -15.204 -5.164 -2.930 170 HZ3 LYS 20 3HZ LYS 20 -14.408 -6.637 -3.162 171 H ASP 21 H ASP 21 -11.167 -2.853 3.373 172 HA ASP 21 HA ASP 21 -12.887 -2.484 5.713 173 HB2 ASP 21 2HB ASP 21 -11.891 -4.989 5.411 174 HB3 ASP 21 1HB ASP 21 -10.468 -4.262 6.140 175 H SER 22 H SER 22 -11.575 -1.606 7.579 176 HA SER 22 HA SER 22 -9.943 0.564 6.726 177 HB2 SER 22 2HB SER 22 -10.419 -0.490 9.552 178 HB3 SER 22 1HB SER 22 -9.737 1.095 9.141 179 HG SER 22 HG SER 22 -11.848 1.268 7.885 180 H LYS 23 H LYS 23 -9.259 -2.532 8.434 181 HA LYS 23 HA LYS 23 -6.422 -1.938 8.560 182 HB2 LYS 23 2HB LYS 23 -6.039 -3.985 9.675 183 HB3 LYS 23 1HB LYS 23 -7.510 -3.326 10.346 184 HG2 LYS 23 2HG LYS 23 -7.635 -5.439 8.190 185 HG3 LYS 23 1HG LYS 23 -7.304 -5.894 9.863 186 HD2 LYS 23 2HD LYS 23 -9.433 -4.716 10.522 187 HD3 LYS 23 1HD LYS 23 -9.771 -4.469 8.801 188 HE2 LYS 23 2HE LYS 23 -9.878 -6.876 8.444 189 HE3 LYS 23 1HE LYS 23 -9.384 -7.184 10.110 190 HZ1 LYS 23 1HZ LYS 23 -11.888 -5.791 9.324 191 HZ2 LYS 23 2HZ LYS 23 -11.424 -6.217 10.893 192 HZ3 LYS 23 3HZ LYS 23 -11.786 -7.421 9.764 193 H SER 24 H SER 24 -8.508 -3.391 6.258 194 HA SER 24 HA SER 24 -6.309 -4.558 4.707 195 HB2 SER 24 2HB SER 24 -8.420 -5.821 4.814 196 HB3 SER 24 1HB SER 24 -9.312 -4.434 4.191 197 HG SER 24 HG SER 24 -8.042 -6.349 2.841 198 H THR 25 H THR 25 -5.333 -2.330 4.650 199 HA THR 25 HA THR 25 -5.958 -1.113 2.076 200 HB THR 25 HB THR 25 -5.767 0.666 4.554 201 HG1 THR 25 HG1 THR 25 -7.909 -0.554 3.755 202 HG21 THR 25 1HG2 THR 25 -4.785 1.633 2.461 203 HG22 THR 25 2HG2 THR 25 -6.192 2.522 3.034 204 HG23 THR 25 3HG2 THR 25 -6.345 1.420 1.668 205 H TRP 26 H TRP 26 -4.069 -1.150 1.064 206 HA TRP 26 HA TRP 26 -1.614 -0.109 2.295 207 HB2 TRP 26 2HB TRP 26 -1.698 -2.783 0.807 208 HB3 TRP 26 1HB TRP 26 -0.230 -1.960 1.327 209 HD1 TRP 26 HD TRP 26 0.260 -1.935 4.021 210 HE1 TRP 26 HE1 TRP 26 -0.532 -3.482 5.907 211 HE3 TRP 26 HE3 TRP 26 -3.572 -4.262 1.568 212 HZ2 TRP 26 HZ2 TRP 26 -2.515 -5.461 6.295 213 HZ3 TRP 26 HZ3 TRP 26 -4.862 -5.988 2.763 214 HH2 TRP 26 HH TRP 26 -4.339 -6.571 5.079 215 H VAL 27 H VAL 27 0.071 0.282 0.504 216 HA VAL 27 HA VAL 27 -1.124 0.731 -2.171 217 HB VAL 27 HB VAL 27 0.027 3.022 -2.252 218 HG11 VAL 27 1HG1 VAL 27 -2.334 2.744 -0.360 219 HG12 VAL 27 2HG1 VAL 27 -2.404 2.883 -2.119 220 HG13 VAL 27 3HG1 VAL 27 -1.823 4.238 -1.152 221 HG21 VAL 27 1HG2 VAL 27 0.476 4.168 -0.102 222 HG22 VAL 27 2HG2 VAL 27 1.510 2.753 -0.306 223 HG23 VAL 27 3HG2 VAL 27 0.114 2.676 0.773 224 H ILE 28 H ILE 28 0.394 0.828 -3.894 225 HA ILE 28 HA ILE 28 3.205 0.171 -3.228 226 HB ILE 28 HB ILE 28 3.333 -1.547 -4.936 227 HG12 ILE 28 2HG1 ILE 28 0.852 -2.289 -5.912 228 HG13 ILE 28 1HG1 ILE 28 0.634 -0.550 -5.843 229 HG21 ILE 28 1HG2 ILE 28 1.744 -3.243 -4.005 230 HG22 ILE 28 2HG2 ILE 28 0.916 -1.949 -3.148 231 HG23 ILE 28 3HG2 ILE 28 2.598 -2.320 -2.769 232 HD11 ILE 28 1HD1 ILE 28 2.806 -1.989 -7.367 233 HD12 ILE 28 2HD1 ILE 28 2.532 -0.245 -7.334 234 HD13 ILE 28 3HD1 ILE 28 1.323 -1.314 -8.043 235 H LEU 29 H LEU 29 4.659 1.410 -4.301 236 HA LEU 29 HA LEU 29 3.640 3.483 -6.067 237 HB2 LEU 29 2HB LEU 29 5.727 4.560 -5.909 238 HB3 LEU 29 1HB LEU 29 5.469 3.864 -4.323 239 HG LEU 29 HG LEU 29 7.345 2.756 -6.455 240 HD11 LEU 29 1HD1 LEU 29 8.183 4.850 -5.541 241 HD12 LEU 29 2HD1 LEU 29 9.165 3.494 -4.995 242 HD13 LEU 29 3HD1 LEU 29 7.997 4.235 -3.895 243 HD21 LEU 29 1HD2 LEU 29 6.463 0.966 -5.032 244 HD22 LEU 29 2HD2 LEU 29 6.971 1.846 -3.591 245 HD23 LEU 29 3HD2 LEU 29 8.177 1.236 -4.725 246 H HIS 30 H HIS 30 5.129 0.407 -6.428 247 HA HIS 30 HA HIS 30 4.744 0.174 -9.179 248 HB2 HIS 30 2HB HIS 30 6.632 1.852 -9.290 249 HB3 HIS 30 1HB HIS 30 7.671 0.699 -8.464 250 HD1 HIS 30 HD1 HIS 30 9.307 0.329 -10.318 251 HD2 HIS 30 HD2 HIS 30 5.391 -0.252 -11.559 252 HE1 HIS 30 HE1 HIS 30 9.463 -0.580 -12.646 253 HE2 HIS 30 HE2 HIS 30 7.087 -0.647 -13.457 254 H HIS 31 H HIS 31 7.102 -0.732 -6.642 255 HA HIS 31 HA HIS 31 6.363 -3.577 -6.913 256 HB2 HIS 31 2HB HIS 31 8.271 -3.296 -8.414 257 HB3 HIS 31 1HB HIS 31 9.198 -2.482 -7.160 258 HD1 HIS 31 HD1 HIS 31 10.740 -3.937 -5.864 259 HD2 HIS 31 HD2 HIS 31 7.752 -6.143 -7.720 260 HE1 HIS 31 HE1 HIS 31 11.262 -6.336 -5.362 261 HE2 HIS 31 HE2 HIS 31 9.325 -7.617 -6.303 262 H LYS 32 H LYS 32 7.337 -0.976 -4.832 263 HA LYS 32 HA LYS 32 7.777 -2.824 -2.544 264 HB2 LYS 32 2HB LYS 32 9.320 -0.770 -3.052 265 HB3 LYS 32 1HB LYS 32 7.997 0.212 -2.450 266 HG2 LYS 32 2HG LYS 32 9.487 -0.043 -0.625 267 HG3 LYS 32 1HG LYS 32 8.119 -1.110 -0.287 268 HD2 LYS 32 2HD LYS 32 10.191 -2.276 0.253 269 HD3 LYS 32 1HD LYS 32 9.448 -3.048 -1.147 270 HE2 LYS 32 2HE LYS 32 11.020 -1.842 -2.633 271 HE3 LYS 32 1HE LYS 32 11.754 -1.072 -1.227 272 HZ1 LYS 32 1HZ LYS 32 13.069 -2.920 -1.918 273 HZ2 LYS 32 2HZ LYS 32 11.749 -3.972 -1.845 274 HZ3 LYS 32 3HZ LYS 32 12.365 -3.291 -0.429 275 H VAL 33 H VAL 33 6.211 -3.032 -0.937 276 HA VAL 33 HA VAL 33 3.717 -1.485 -1.236 277 HB VAL 33 HB VAL 33 3.457 -3.953 -1.218 278 HG11 VAL 33 1HG1 VAL 33 5.330 -4.582 0.225 279 HG12 VAL 33 2HG1 VAL 33 3.825 -5.275 0.818 280 HG13 VAL 33 3HG1 VAL 33 4.521 -3.867 1.618 281 HG21 VAL 33 1HG2 VAL 33 1.641 -4.100 0.467 282 HG22 VAL 33 2HG2 VAL 33 1.589 -2.571 -0.415 283 HG23 VAL 33 3HG2 VAL 33 2.234 -2.617 1.227 284 H TYR 34 H TYR 34 2.869 -0.315 0.391 285 HA TYR 34 HA TYR 34 4.442 0.245 2.824 286 HB2 TYR 34 2HB TYR 34 2.913 2.260 1.096 287 HB3 TYR 34 1HB TYR 34 3.799 2.631 2.572 288 HD1 TYR 34 HD1 TYR 34 6.295 2.504 2.598 289 HD2 TYR 34 HD2 TYR 34 4.095 1.994 -1.036 290 HE1 TYR 34 HE1 TYR 34 8.336 2.910 1.307 291 HE2 TYR 34 HE2 TYR 34 6.140 2.411 -2.323 292 HH TYR 34 HH TYR 34 9.250 2.433 -0.894 293 H ASP 35 H ASP 35 3.171 0.877 4.618 294 HA ASP 35 HA ASP 35 0.635 -0.516 4.767 295 HB2 ASP 35 2HB ASP 35 2.423 -0.906 6.471 296 HB3 ASP 35 1HB ASP 35 2.311 0.780 6.963 297 H LEU 36 H LEU 36 -1.035 0.656 4.093 298 HA LEU 36 HA LEU 36 -1.119 3.564 4.515 299 HB2 LEU 36 2HB LEU 36 -1.511 2.188 2.237 300 HB3 LEU 36 1HB LEU 36 -3.149 2.100 2.832 301 HG LEU 36 HG LEU 36 -2.799 3.922 1.174 302 HD11 LEU 36 1HD1 LEU 36 -3.516 5.030 3.880 303 HD12 LEU 36 2HD1 LEU 36 -4.600 4.175 2.781 304 HD13 LEU 36 3HD1 LEU 36 -3.921 5.730 2.309 305 HD21 LEU 36 1HD2 LEU 36 -0.482 4.499 1.695 306 HD22 LEU 36 2HD2 LEU 36 -0.983 5.209 3.224 307 HD23 LEU 36 3HD2 LEU 36 -1.514 5.924 1.701 308 H THR 37 H THR 37 -2.407 0.657 5.843 309 HA THR 37 HA THR 37 -4.890 1.665 6.767 310 HB THR 37 HB THR 37 -4.542 -0.740 6.700 311 HG1 THR 37 HG1 THR 37 -5.992 0.227 8.261 312 HG21 THR 37 1HG2 THR 37 -2.164 -0.883 7.350 313 HG22 THR 37 2HG2 THR 37 -3.171 -1.916 8.370 314 HG23 THR 37 3HG2 THR 37 -2.584 -0.372 8.990 315 H LYS 38 H LYS 38 -1.613 1.887 8.148 316 HA LYS 38 HA LYS 38 -2.468 3.222 10.555 317 HB2 LYS 38 2HB LYS 38 -0.235 2.123 10.369 318 HB3 LYS 38 1HB LYS 38 0.240 3.305 9.164 319 HG2 LYS 38 2HG LYS 38 1.281 3.913 11.231 320 HG3 LYS 38 1HG LYS 38 0.027 5.105 10.908 321 HD2 LYS 38 2HD LYS 38 -0.523 2.742 12.736 322 HD3 LYS 38 1HD LYS 38 0.326 4.158 13.347 323 HE2 LYS 38 2HE LYS 38 -1.598 5.575 12.836 324 HE3 LYS 38 1HE LYS 38 -2.440 4.223 12.086 325 HZ1 LYS 38 1HZ LYS 38 -3.329 4.412 14.205 326 HZ2 LYS 38 2HZ LYS 38 -1.827 4.631 14.940 327 HZ3 LYS 38 3HZ LYS 38 -2.250 3.114 14.325 328 H PHE 39 H PHE 39 -1.654 4.153 7.302 329 HA PHE 39 HA PHE 39 -1.155 6.913 7.681 330 HB2 PHE 39 2HB PHE 39 -0.775 5.095 5.642 331 HB3 PHE 39 1HB PHE 39 -2.133 5.990 5.001 332 HD1 PHE 39 HD1 PHE 39 -1.690 8.756 5.389 333 HD2 PHE 39 HD2 PHE 39 1.270 5.723 4.770 334 HE1 PHE 39 HE1 PHE 39 -0.148 10.428 4.449 335 HE2 PHE 39 HE2 PHE 39 2.791 7.407 3.840 336 HZ PHE 39 HZ PHE 39 2.088 9.759 3.673 337 H LEU 40 H LEU 40 -4.121 5.061 7.068 338 HA LEU 40 HA LEU 40 -5.748 7.342 6.439 339 HB2 LEU 40 2HB LEU 40 -7.656 5.849 6.472 340 HB3 LEU 40 1HB LEU 40 -6.339 5.170 5.551 341 HG LEU 40 HG LEU 40 -5.897 3.824 7.849 342 HD11 LEU 40 1HD1 LEU 40 -7.683 4.880 9.140 343 HD12 LEU 40 2HD1 LEU 40 -7.980 3.154 8.953 344 HD13 LEU 40 3HD1 LEU 40 -8.884 4.318 7.975 345 HD21 LEU 40 1HD2 LEU 40 -8.019 3.043 5.829 346 HD22 LEU 40 2HD2 LEU 40 -7.196 1.946 6.942 347 HD23 LEU 40 3HD2 LEU 40 -6.279 2.769 5.684 348 H GLU 41 H GLU 41 -5.104 5.472 9.363 349 HA GLU 41 HA GLU 41 -6.885 6.912 11.086 350 HB2 GLU 41 2HB GLU 41 -4.390 5.330 11.852 351 HB3 GLU 41 1HB GLU 41 -5.684 5.823 12.942 352 HG2 GLU 41 2HG GLU 41 -7.255 4.344 11.729 353 HG3 GLU 41 1HG GLU 41 -5.945 3.833 10.665 354 H GLU 42 H GLU 42 -3.836 7.597 9.695 355 HA GLU 42 HA GLU 42 -2.636 9.026 11.856 356 HB2 GLU 42 2HB GLU 42 -1.536 7.750 9.827 357 HB3 GLU 42 1HB GLU 42 -1.746 9.269 8.973 358 HG2 GLU 42 2HG GLU 42 0.513 9.049 9.885 359 HG3 GLU 42 1HG GLU 42 -0.338 10.420 10.602 360 H TRP 43 H TRP 43 -3.609 10.267 8.593 361 HA TRP 43 HA TRP 43 -4.113 12.883 9.887 362 HB2 TRP 43 2HB TRP 43 -2.423 12.265 7.539 363 HB3 TRP 43 1HB TRP 43 -3.502 13.624 7.277 364 HD1 TRP 43 HD TRP 43 -1.647 12.792 10.571 365 HE1 TRP 43 HE1 TRP 43 -0.164 14.795 11.189 366 HE3 TRP 43 HE3 TRP 43 -2.396 15.669 6.415 367 HZ2 TRP 43 HZ2 TRP 43 0.592 17.265 10.070 368 HZ3 TRP 43 HZ3 TRP 43 -1.247 17.843 6.258 369 HH2 TRP 43 HH TRP 43 0.222 18.623 8.051 370 HA PRO 44 HA PRO 44 -7.327 12.877 6.209 371 HB2 PRO 44 2HB PRO 44 -8.130 10.368 5.243 372 HB3 PRO 44 1HB PRO 44 -6.931 11.412 4.453 373 HG2 PRO 44 2HG PRO 44 -6.485 9.076 6.277 374 HG3 PRO 44 1HG PRO 44 -5.634 9.520 4.780 375 HD2 PRO 44 2HD PRO 44 -4.535 10.022 7.177 376 HD3 PRO 44 1HD PRO 44 -4.348 11.170 5.831 377 H GLY 45 H GLY 45 -7.300 10.108 8.427 378 HA2 GLY 45 2HA GLY 45 -8.638 9.695 10.255 379 HA3 GLY 45 1HA GLY 45 -9.648 11.070 9.831 380 H GLY 46 H GLY 46 -9.733 9.698 7.017 381 HA2 GLY 46 2HA GLY 46 -11.946 7.799 7.569 382 HA3 GLY 46 1HA GLY 46 -11.920 8.939 6.224 383 H GLU 47 H GLU 47 -11.985 5.963 6.350 384 HA GLU 47 HA GLU 47 -9.492 5.240 4.998 385 HB2 GLU 47 2HB GLU 47 -10.100 2.930 5.278 386 HB3 GLU 47 1HB GLU 47 -10.348 3.738 6.816 387 HG2 GLU 47 2HG GLU 47 -12.514 2.934 4.848 388 HG3 GLU 47 1HG GLU 47 -12.091 2.090 6.332 389 H GLU 48 H GLU 48 -12.934 5.706 4.320 390 HA GLU 48 HA GLU 48 -13.252 4.259 1.972 391 HB2 GLU 48 2HB GLU 48 -15.118 5.860 1.436 392 HB3 GLU 48 1HB GLU 48 -15.174 5.183 3.059 393 HG2 GLU 48 2HG GLU 48 -14.421 7.233 4.047 394 HG3 GLU 48 1HG GLU 48 -14.010 7.921 2.478 395 H VAL 49 H VAL 49 -11.976 7.543 2.324 396 HA VAL 49 HA VAL 49 -11.850 8.440 -0.288 397 HB VAL 49 HB VAL 49 -11.418 9.994 1.490 398 HG11 VAL 49 1HG1 VAL 49 -8.964 8.387 2.277 399 HG12 VAL 49 2HG1 VAL 49 -10.488 8.447 3.165 400 HG13 VAL 49 3HG1 VAL 49 -9.494 9.898 3.020 401 HG21 VAL 49 1HG2 VAL 49 -10.198 10.541 -0.584 402 HG22 VAL 49 2HG2 VAL 49 -8.784 9.659 0.005 403 HG23 VAL 49 3HG2 VAL 49 -9.325 11.114 0.841 404 H LEU 50 H LEU 50 -9.648 6.286 1.392 405 HA LEU 50 HA LEU 50 -7.845 6.126 -0.965 406 HB2 LEU 50 2HB LEU 50 -6.163 5.354 0.869 407 HB3 LEU 50 1HB LEU 50 -6.563 7.048 0.716 408 HG LEU 50 HG LEU 50 -8.343 6.543 2.602 409 HD11 LEU 50 1HD1 LEU 50 -6.386 4.315 3.154 410 HD12 LEU 50 2HD1 LEU 50 -8.049 4.116 2.597 411 HD13 LEU 50 3HD1 LEU 50 -7.733 4.827 4.174 412 HD21 LEU 50 1HD2 LEU 50 -5.396 6.757 3.262 413 HD22 LEU 50 2HD2 LEU 50 -6.740 7.154 4.332 414 HD23 LEU 50 3HD2 LEU 50 -6.479 8.093 2.867 415 H ARG 51 H ARG 51 -10.105 4.418 0.823 416 HA ARG 51 HA ARG 51 -9.139 1.764 0.818 417 HB2 ARG 51 2HB ARG 51 -11.132 2.570 2.131 418 HB3 ARG 51 1HB ARG 51 -12.024 2.754 0.626 419 HG2 ARG 51 2HG ARG 51 -11.586 0.204 0.303 420 HG3 ARG 51 1HG ARG 51 -11.156 0.208 2.014 421 HD2 ARG 51 2HD ARG 51 -13.809 1.155 0.884 422 HD3 ARG 51 1HD ARG 51 -13.528 -0.439 1.582 423 HE ARG 51 HE ARG 51 -12.834 1.077 3.645 424 HH11 ARG 51 1HH1 ARG 51 -15.608 1.474 1.514 425 HH12 ARG 51 2HH1 ARG 51 -16.593 2.200 2.735 426 HH21 ARG 51 1HH2 ARG 51 -14.228 1.920 5.258 427 HH22 ARG 51 2HH2 ARG 51 -15.819 2.448 4.837 428 H GLU 52 H GLU 52 -11.201 3.598 -1.390 429 HA GLU 52 HA GLU 52 -11.895 1.680 -3.260 430 HB2 GLU 52 2HB GLU 52 -12.208 3.686 -4.821 431 HB3 GLU 52 1HB GLU 52 -13.041 3.766 -3.272 432 HG2 GLU 52 2HG GLU 52 -11.451 5.332 -2.390 433 HG3 GLU 52 1HG GLU 52 -10.370 5.107 -3.768 434 H GLN 53 H GLN 53 -8.897 3.605 -3.173 435 HA GLN 53 HA GLN 53 -7.884 2.156 -5.551 436 HB2 GLN 53 2HB GLN 53 -6.608 4.373 -6.034 437 HB3 GLN 53 1HB GLN 53 -8.319 4.294 -6.417 438 HG2 GLN 53 2HG GLN 53 -8.163 6.392 -5.443 439 HG3 GLN 53 1HG GLN 53 -8.678 5.413 -4.082 440 HE21 GLN 53 1HE2 GLN 53 -6.095 7.259 -5.462 441 HE22 GLN 53 2HE2 GLN 53 -5.095 7.308 -4.061 442 H ALA 54 H ALA 54 -7.578 1.422 -2.810 443 HA ALA 54 HA ALA 54 -4.861 1.919 -2.004 444 HB1 ALA 54 1HB ALA 54 -6.590 1.278 -0.364 445 HB2 ALA 54 2HB ALA 54 -5.249 0.128 -0.353 446 HB3 ALA 54 3HB ALA 54 -6.769 -0.288 -1.152 447 H GLY 55 H GLY 55 -3.066 0.949 -2.802 448 HA2 GLY 55 2HA GLY 55 -1.730 -0.792 -3.671 449 HA3 GLY 55 1HA GLY 55 -3.173 -1.673 -4.127 450 H GLY 56 H GLY 56 -4.013 1.193 -5.240 451 HA2 GLY 56 2HA GLY 56 -3.525 0.609 -7.966 452 HA3 GLY 56 1HA GLY 56 -4.205 2.091 -7.325 453 H ASP 57 H ASP 57 -2.057 2.873 -5.687 454 HA ASP 57 HA ASP 57 0.390 3.073 -7.160 455 HB2 ASP 57 2HB ASP 57 -1.038 4.613 -8.505 456 HB3 ASP 57 1HB ASP 57 -1.433 5.526 -7.051 457 H ALA 58 H ALA 58 1.965 4.491 -6.003 458 HA ALA 58 HA ALA 58 1.241 5.770 -3.494 459 HB1 ALA 58 1HB ALA 58 3.367 3.594 -3.450 460 HB2 ALA 58 2HB ALA 58 1.755 3.440 -2.762 461 HB3 ALA 58 3HB ALA 58 2.884 4.618 -2.093 462 H THR 59 H THR 59 2.536 6.084 -6.320 463 HA THR 59 HA THR 59 5.114 7.299 -5.727 464 HB THR 59 HB THR 59 3.544 7.311 -8.347 465 HG1 THR 59 HG1 THR 59 3.927 5.234 -8.241 466 HG21 THR 59 1HG2 THR 59 5.731 7.641 -9.422 467 HG22 THR 59 2HG2 THR 59 6.528 7.649 -7.849 468 HG23 THR 59 3HG2 THR 59 5.416 8.950 -8.279 469 H GLU 60 H GLU 60 1.832 8.335 -6.612 470 HA GLU 60 HA GLU 60 2.368 11.028 -5.498 471 HB2 GLU 60 2HB GLU 60 1.640 11.011 -7.907 472 HB3 GLU 60 1HB GLU 60 0.156 10.199 -7.422 473 HG2 GLU 60 2HG GLU 60 -0.244 12.259 -5.893 474 HG3 GLU 60 1HG GLU 60 1.024 13.039 -6.834 475 H ASN 61 H ASN 61 0.488 8.095 -5.331 476 HA ASN 61 HA ASN 61 -1.988 8.956 -4.369 477 HB2 ASN 61 2HB ASN 61 -1.313 6.700 -5.342 478 HB3 ASN 61 1HB ASN 61 -0.684 6.279 -3.768 479 HD21 ASN 61 1HD2 ASN 61 -2.956 7.325 -2.195 480 HD22 ASN 61 2HD2 ASN 61 -4.281 6.294 -2.546 481 H PHE 62 H PHE 62 0.881 7.962 -2.575 482 HA PHE 62 HA PHE 62 -0.001 7.720 0.020 483 HB2 PHE 62 2HB PHE 62 2.318 8.096 0.686 484 HB3 PHE 62 1HB PHE 62 2.318 7.205 -0.831 485 HD1 PHE 62 HD1 PHE 62 3.596 10.104 0.859 486 HD2 PHE 62 HD2 PHE 62 2.653 8.629 -3.022 487 HE1 PHE 62 HE1 PHE 62 4.997 11.837 -0.155 488 HE2 PHE 62 HE2 PHE 62 4.072 10.372 -4.006 489 HZ PHE 62 HZ PHE 62 5.239 11.974 -2.579 490 H GLU 63 H GLU 63 0.655 10.658 -1.764 491 HA GLU 63 HA GLU 63 0.344 12.443 0.542 492 HB2 GLU 63 2HB GLU 63 2.267 12.763 -0.970 493 HB3 GLU 63 1HB GLU 63 1.180 12.930 -2.346 494 HG2 GLU 63 2HG GLU 63 0.257 15.005 -1.342 495 HG3 GLU 63 1HG GLU 63 1.371 14.822 0.015 496 H ASP 64 H ASP 64 -1.123 11.601 -2.552 497 HA ASP 64 HA ASP 64 -3.069 13.534 -2.916 498 HB2 ASP 64 2HB ASP 64 -2.618 11.858 -4.626 499 HB3 ASP 64 1HB ASP 64 -3.113 10.551 -3.559 500 H VAL 65 H VAL 65 -3.297 10.514 -1.077 501 HA VAL 65 HA VAL 65 -5.899 11.262 0.083 502 HB VAL 65 HB VAL 65 -6.070 8.944 0.828 503 HG11 VAL 65 1HG1 VAL 65 -5.201 9.114 -2.083 504 HG12 VAL 65 2HG1 VAL 65 -6.815 9.451 -1.451 505 HG13 VAL 65 3HG1 VAL 65 -6.165 7.813 -1.371 506 HG21 VAL 65 1HG2 VAL 65 -4.353 7.231 0.259 507 HG22 VAL 65 2HG2 VAL 65 -3.730 8.436 1.385 508 HG23 VAL 65 3HG2 VAL 65 -3.279 8.506 -0.319 509 H GLY 66 H GLY 66 -2.545 11.005 0.913 510 HA2 GLY 66 2HA GLY 66 -3.031 11.016 3.822 511 HA3 GLY 66 1HA GLY 66 -1.501 10.730 3.010 512 H PHE 67 H PHE 67 -0.176 12.256 3.858 513 HA PHE 67 HA PHE 67 -1.029 14.821 4.784 514 HB2 PHE 67 2HB PHE 67 1.821 13.827 4.295 515 HB3 PHE 67 1HB PHE 67 1.391 15.290 5.158 516 HD1 PHE 67 HD1 PHE 67 -0.223 11.924 5.634 517 HD2 PHE 67 HD2 PHE 67 2.459 14.874 7.202 518 HE1 PHE 67 HE1 PHE 67 -0.071 10.677 7.740 519 HE2 PHE 67 HE2 PHE 67 2.591 13.620 9.305 520 HZ PHE 67 HZ PHE 67 1.333 11.524 9.578 521 H SER 68 H SER 68 0.488 16.804 4.083 522 HA SER 68 HA SER 68 0.348 17.268 1.215 523 HB2 SER 68 2HB SER 68 1.453 18.987 3.483 524 HB3 SER 68 1HB SER 68 1.211 19.522 1.817 525 HG SER 68 HG SER 68 -0.980 18.385 3.087 526 H THR 69 H THR 69 3.039 18.879 1.528 527 HA THR 69 HA THR 69 4.682 17.197 0.059 528 HB THR 69 HB THR 69 6.478 18.841 0.446 529 HG1 THR 69 HG1 THR 69 6.536 20.052 2.186 530 HG21 THR 69 1HG2 THR 69 5.340 20.907 -0.265 531 HG22 THR 69 2HG2 THR 69 3.785 20.250 0.250 532 HG23 THR 69 3HG2 THR 69 4.652 19.512 -1.099 533 H ASP 70 H ASP 70 4.237 17.298 3.500 534 HA ASP 70 HA ASP 70 6.721 16.274 4.420 535 HB2 ASP 70 2HB ASP 70 3.982 16.197 5.773 536 HB3 ASP 70 1HB ASP 70 5.534 15.964 6.579 537 H ALA 71 H ALA 71 3.982 14.749 2.985 538 HA ALA 71 HA ALA 71 4.081 12.163 4.108 539 HB1 ALA 71 1HB ALA 71 3.055 12.985 1.369 540 HB2 ALA 71 2HB ALA 71 2.117 12.987 2.862 541 HB3 ALA 71 3HB ALA 71 2.701 11.465 2.190 542 H ARG 72 H ARG 72 6.210 13.718 1.890 543 HA ARG 72 HA ARG 72 6.986 11.692 0.142 544 HB2 ARG 72 2HB ARG 72 9.007 13.021 -0.278 545 HB3 ARG 72 1HB ARG 72 7.594 14.062 -0.150 546 HG2 ARG 72 2HG ARG 72 8.248 14.669 2.157 547 HG3 ARG 72 1HG ARG 72 9.673 13.632 2.021 548 HD2 ARG 72 2HD ARG 72 9.075 16.082 0.329 549 HD3 ARG 72 1HD ARG 72 10.248 15.992 1.647 550 HE ARG 72 HE ARG 72 10.462 14.616 -0.972 551 HH11 ARG 72 1HH1 ARG 72 12.028 15.781 1.963 552 HH12 ARG 72 2HH1 ARG 72 13.625 15.446 1.382 553 HH21 ARG 72 1HH2 ARG 72 12.565 14.181 -1.710 554 HH22 ARG 72 2HH2 ARG 72 13.931 14.535 -0.705 555 H GLU 73 H GLU 73 8.164 12.345 3.431 556 HA GLU 73 HA GLU 73 10.039 10.072 3.324 557 HB2 GLU 73 2HB GLU 73 10.739 10.846 5.597 558 HB3 GLU 73 1HB GLU 73 10.935 12.085 4.363 559 HG2 GLU 73 2HG GLU 73 9.055 13.328 5.152 560 HG3 GLU 73 1HG GLU 73 8.499 11.997 6.165 561 H LEU 74 H LEU 74 6.987 11.099 4.648 562 HA LEU 74 HA LEU 74 6.759 9.339 6.832 563 HB2 LEU 74 2HB LEU 74 5.506 11.548 6.319 564 HB3 LEU 74 1HB LEU 74 4.434 10.589 5.323 565 HG LEU 74 HG LEU 74 3.592 11.174 7.650 566 HD11 LEU 74 1HD1 LEU 74 2.541 9.047 8.126 567 HD12 LEU 74 2HD1 LEU 74 3.679 8.214 7.065 568 HD13 LEU 74 3HD1 LEU 74 2.534 9.379 6.397 569 HD21 LEU 74 1HD2 LEU 74 5.690 10.874 8.881 570 HD22 LEU 74 2HD2 LEU 74 5.624 9.133 8.591 571 HD23 LEU 74 3HD2 LEU 74 4.386 9.917 9.577 572 H SER 75 H SER 75 5.887 9.024 3.434 573 HA SER 75 HA SER 75 4.425 6.577 3.613 574 HB2 SER 75 2HB SER 75 4.847 6.511 1.115 575 HB3 SER 75 1HB SER 75 4.113 8.010 1.688 576 HG SER 75 HG SER 75 5.805 9.063 1.036 577 H LYS 76 H LYS 76 7.779 7.443 2.863 578 HA LYS 76 HA LYS 76 8.645 4.876 2.047 579 HB2 LYS 76 2HB LYS 76 10.414 7.106 3.117 580 HB3 LYS 76 1HB LYS 76 10.886 5.806 2.026 581 HG2 LYS 76 2HG LYS 76 8.986 8.083 1.386 582 HG3 LYS 76 1HG LYS 76 10.664 7.963 0.866 583 HD2 LYS 76 2HD LYS 76 8.440 6.043 0.046 584 HD3 LYS 76 1HD LYS 76 9.024 7.395 -0.923 585 HE2 LYS 76 2HE LYS 76 11.293 6.337 -0.944 586 HE3 LYS 76 1HE LYS 76 10.610 4.943 -0.101 587 HZ1 LYS 76 1HZ LYS 76 10.715 4.557 -2.467 588 HZ2 LYS 76 2HZ LYS 76 9.786 5.938 -2.778 589 HZ3 LYS 76 3HZ LYS 76 9.101 4.620 -1.964 590 H LYS 77 H LYS 77 8.592 6.473 5.203 591 HA LYS 77 HA LYS 77 10.141 4.413 6.524 592 HB2 LYS 77 2HB LYS 77 9.678 5.621 8.603 593 HB3 LYS 77 1HB LYS 77 10.243 6.719 7.351 594 HG2 LYS 77 2HG LYS 77 7.885 7.436 6.965 595 HG3 LYS 77 1HG LYS 77 7.376 6.402 8.302 596 HD2 LYS 77 2HD LYS 77 9.312 8.748 8.512 597 HD3 LYS 77 1HD LYS 77 7.612 8.780 8.986 598 HE2 LYS 77 2HE LYS 77 8.034 7.121 10.733 599 HE3 LYS 77 1HE LYS 77 9.715 6.966 10.220 600 HZ1 LYS 77 1HZ LYS 77 9.485 8.388 12.158 601 HZ2 LYS 77 2HZ LYS 77 8.483 9.445 11.293 602 HZ3 LYS 77 3HZ LYS 77 10.098 9.247 10.839 603 H TYR 78 H TYR 78 6.788 4.971 5.787 604 HA TYR 78 HA TYR 78 5.764 2.889 7.535 605 HB2 TYR 78 2HB TYR 78 4.507 4.662 5.408 606 HB3 TYR 78 1HB TYR 78 3.627 3.273 6.037 607 HD1 TYR 78 HD1 TYR 78 5.808 5.206 8.314 608 HD2 TYR 78 HD2 TYR 78 1.814 4.740 6.835 609 HE1 TYR 78 HE1 TYR 78 4.968 6.582 10.158 610 HE2 TYR 78 HE2 TYR 78 0.972 6.118 8.684 611 HH TYR 78 HH TYR 78 1.579 6.896 10.836 612 H ILE 79 H ILE 79 7.862 2.352 5.348 613 HA ILE 79 HA ILE 79 6.794 0.498 3.526 614 HB ILE 79 HB ILE 79 9.076 1.291 3.220 615 HG12 ILE 79 2HG1 ILE 79 9.024 -1.706 3.810 616 HG13 ILE 79 1HG1 ILE 79 8.628 -0.926 2.283 617 HG21 ILE 79 1HG2 ILE 79 9.702 1.655 5.571 618 HG22 ILE 79 2HG2 ILE 79 10.947 0.748 4.713 619 HG23 ILE 79 3HG2 ILE 79 9.848 -0.089 5.812 620 HD11 ILE 79 1HD1 ILE 79 10.796 -1.961 2.174 621 HD12 ILE 79 2HD1 ILE 79 11.355 -1.041 3.571 622 HD13 ILE 79 3HD1 ILE 79 10.965 -0.211 2.060 623 H ILE 80 H ILE 80 5.786 -1.339 3.966 624 HA ILE 80 HA ILE 80 6.124 -2.662 6.589 625 HB ILE 80 HB ILE 80 3.830 -1.962 5.938 626 HG12 ILE 80 2HG1 ILE 80 4.029 -5.003 6.058 627 HG13 ILE 80 1HG1 ILE 80 4.262 -3.946 7.446 628 HG21 ILE 80 1HG2 ILE 80 3.955 -2.221 3.503 629 HG22 ILE 80 2HG2 ILE 80 2.574 -3.102 4.157 630 HG23 ILE 80 3HG2 ILE 80 4.028 -3.978 3.676 631 HD11 ILE 80 1HD1 ILE 80 1.727 -4.199 5.836 632 HD12 ILE 80 2HD1 ILE 80 1.975 -3.135 7.224 633 HD13 ILE 80 3HD1 ILE 80 2.038 -4.883 7.431 634 H GLY 81 H GLY 81 6.558 -3.065 3.151 635 HA2 GLY 81 2HA GLY 81 8.415 -5.174 3.344 636 HA3 GLY 81 1HA GLY 81 6.830 -5.844 2.949 637 H GLU 82 H GLU 82 7.697 -6.519 0.918 638 HA GLU 82 HA GLU 82 7.625 -4.346 -1.095 639 HB2 GLU 82 2HB GLU 82 9.165 -5.619 -2.515 640 HB3 GLU 82 1HB GLU 82 9.910 -5.265 -0.958 641 HG2 GLU 82 2HG GLU 82 9.431 -7.568 -0.201 642 HG3 GLU 82 1HG GLU 82 8.697 -7.923 -1.767 643 H LEU 83 H LEU 83 6.347 -4.698 -2.864 644 HA LEU 83 HA LEU 83 4.364 -6.788 -2.812 645 HB2 LEU 83 2HB LEU 83 4.222 -4.261 -3.655 646 HB3 LEU 83 1HB LEU 83 4.807 -4.919 -5.168 647 HG LEU 83 HG LEU 83 2.318 -4.592 -5.067 648 HD11 LEU 83 1HD1 LEU 83 3.050 -7.495 -5.434 649 HD12 LEU 83 2HD1 LEU 83 3.222 -6.227 -6.647 650 HD13 LEU 83 3HD1 LEU 83 1.620 -6.671 -6.066 651 HD21 LEU 83 1HD2 LEU 83 2.015 -5.118 -2.691 652 HD22 LEU 83 2HD2 LEU 83 2.343 -6.822 -3.020 653 HD23 LEU 83 3HD2 LEU 83 0.921 -6.042 -3.716 654 H HIS 84 H HIS 84 4.122 -8.459 -4.351 655 HA HIS 84 HA HIS 84 6.466 -9.726 -5.323 656 HB2 HIS 84 2HB HIS 84 3.521 -10.248 -5.897 657 HB3 HIS 84 1HB HIS 84 4.818 -11.294 -6.466 658 HD1 HIS 84 HD1 HIS 84 2.669 -12.427 -4.691 659 HD2 HIS 84 HD2 HIS 84 6.234 -10.883 -3.235 660 HE1 HIS 84 HE1 HIS 84 3.001 -13.492 -2.446 661 HE2 HIS 84 HE2 HIS 84 5.290 -12.764 -1.740 662 HA PRO 85 HA PRO 85 7.172 -7.601 -9.258 663 HB2 PRO 85 2HB PRO 85 8.134 -10.337 -10.121 664 HB3 PRO 85 1HB PRO 85 8.951 -8.764 -10.244 665 HG2 PRO 85 2HG PRO 85 9.726 -10.469 -8.390 666 HG3 PRO 85 1HG PRO 85 9.567 -8.742 -7.990 667 HD2 PRO 85 2HD PRO 85 7.683 -11.003 -7.329 668 HD3 PRO 85 1HD PRO 85 8.205 -9.634 -6.316 669 H ASP 86 H ASP 86 5.539 -10.750 -9.184 670 HA ASP 86 HA ASP 86 4.483 -10.503 -11.878 671 HB2 ASP 86 2HB ASP 86 5.161 -12.719 -10.996 672 HB3 ASP 86 1HB ASP 86 3.925 -12.611 -9.750 673 H ASP 87 H ASP 87 3.270 -10.032 -8.559 674 HA ASP 87 HA ASP 87 0.487 -9.957 -9.307 675 HB2 ASP 87 2HB ASP 87 1.956 -9.229 -6.768 676 HB3 ASP 87 1HB ASP 87 0.262 -8.808 -6.950 677 H ARG 88 H ARG 88 3.000 -7.498 -8.860 678 HA ARG 88 HA ARG 88 1.271 -5.247 -9.058 679 HB2 ARG 88 2HB ARG 88 3.287 -3.889 -9.305 680 HB3 ARG 88 1HB ARG 88 3.518 -5.090 -8.052 681 HG2 ARG 88 2HG ARG 88 5.566 -5.230 -9.098 682 HG3 ARG 88 1HG ARG 88 4.693 -6.468 -9.998 683 HD2 ARG 88 2HD ARG 88 4.243 -4.786 -11.797 684 HD3 ARG 88 1HD ARG 88 5.195 -3.603 -10.896 685 HE ARG 88 HE ARG 88 6.790 -5.868 -11.314 686 HH11 ARG 88 1HH1 ARG 88 5.286 -3.321 -13.259 687 HH12 ARG 88 2HH1 ARG 88 6.503 -3.389 -14.496 688 HH21 ARG 88 1HH2 ARG 88 8.375 -5.919 -12.956 689 HH22 ARG 88 2HH2 ARG 88 8.243 -4.854 -14.317 690 H SER 89 H SER 89 2.710 -7.369 -11.414 691 HA SER 89 HA SER 89 1.934 -5.682 -13.692 692 HB2 SER 89 2HB SER 89 3.123 -7.446 -15.036 693 HB3 SER 89 1HB SER 89 4.156 -6.686 -13.823 694 HG SER 89 HG SER 89 2.778 -9.133 -13.392 695 H LYS 90 H LYS 90 0.779 -8.389 -11.844 696 HA LYS 90 HA LYS 90 -0.938 -9.612 -13.785 697 HB2 LYS 90 2HB LYS 90 -0.234 -10.793 -11.700 698 HB3 LYS 90 1HB LYS 90 -1.108 -9.613 -10.730 699 HG2 LYS 90 2HG LYS 90 -3.239 -10.395 -11.840 700 HG3 LYS 90 1HG LYS 90 -2.303 -11.666 -12.625 701 HD2 LYS 90 2HD LYS 90 -2.567 -11.317 -9.609 702 HD3 LYS 90 1HD LYS 90 -3.546 -12.417 -10.576 703 HE2 LYS 90 2HE LYS 90 -1.868 -13.787 -9.631 704 HE3 LYS 90 1HE LYS 90 -1.314 -13.515 -11.280 705 HZ1 LYS 90 1HZ LYS 90 0.479 -13.304 -9.684 706 HZ2 LYS 90 2HZ LYS 90 -0.349 -12.079 -8.863 707 HZ3 LYS 90 3HZ LYS 90 0.198 -11.823 -10.444 708 H ILE 91 H ILE 91 -1.616 -7.591 -10.945 709 HA ILE 91 HA ILE 91 -4.162 -6.677 -12.078 710 HB ILE 91 HB ILE 91 -3.117 -6.119 -9.261 711 HG12 ILE 91 2HG1 ILE 91 -4.536 -8.617 -10.306 712 HG13 ILE 91 1HG1 ILE 91 -2.990 -8.524 -9.483 713 HG21 ILE 91 1HG2 ILE 91 -5.517 -5.908 -8.686 714 HG22 ILE 91 2HG2 ILE 91 -5.963 -6.257 -10.358 715 HG23 ILE 91 3HG2 ILE 91 -5.079 -4.780 -9.971 716 HD11 ILE 91 1HD1 ILE 91 -5.691 -8.031 -8.247 717 HD12 ILE 91 2HD1 ILE 91 -4.137 -7.865 -7.424 718 HD13 ILE 91 3HD1 ILE 91 -4.651 -9.439 -8.027 719 H ALA 92 H ALA 92 -1.473 -5.792 -13.032 720 HA ALA 92 HA ALA 92 -1.487 -2.946 -12.822 721 HB1 ALA 92 1HB ALA 92 -0.129 -3.004 -14.892 722 HB2 ALA 92 2HB ALA 92 -0.467 -4.729 -15.066 723 HB3 ALA 92 3HB ALA 92 0.472 -4.146 -13.689 724 H LYS 93 H LYS 93 -3.681 -5.159 -14.109 725 HA LYS 93 HA LYS 93 -5.155 -3.058 -15.604 726 HB2 LYS 93 2HB LYS 93 -5.617 -6.087 -15.527 727 HB3 LYS 93 1HB LYS 93 -6.443 -4.930 -16.565 728 HG2 LYS 93 2HG LYS 93 -4.469 -4.558 -17.871 729 HG3 LYS 93 1HG LYS 93 -3.455 -5.419 -16.716 730 HD2 LYS 93 2HD LYS 93 -5.704 -6.881 -18.121 731 HD3 LYS 93 1HD LYS 93 -4.194 -6.583 -18.975 732 HE2 LYS 93 2HE LYS 93 -4.166 -8.813 -17.980 733 HE3 LYS 93 1HE LYS 93 -2.957 -7.801 -17.197 734 HZ1 LYS 93 1HZ LYS 93 -5.619 -8.526 -16.107 735 HZ2 LYS 93 2HZ LYS 93 -4.528 -7.477 -15.362 736 HZ3 LYS 93 3HZ LYS 93 -4.120 -9.097 -15.578 737 HA PRO 94 HA PRO 94 -7.070 -3.750 -11.390 738 HB2 PRO 94 2HB PRO 94 -7.168 -1.222 -10.437 739 HB3 PRO 94 1HB PRO 94 -5.652 -2.147 -10.471 740 HG2 PRO 94 2HG PRO 94 -6.531 0.079 -12.243 741 HG3 PRO 94 1HG PRO 94 -4.903 -0.364 -11.701 742 HD2 PRO 94 2HD PRO 94 -6.065 -1.020 -14.220 743 HD3 PRO 94 1HD PRO 94 -4.554 -1.674 -13.556 744 H SER 95 H SER 95 -9.159 -4.100 -11.245 745 HA SER 95 HA SER 95 -11.033 -3.001 -13.141 746 HB2 SER 95 2HB SER 95 -11.080 -5.399 -12.588 747 HB3 SER 95 1HB SER 95 -11.388 -5.035 -10.894 748 HG SER 95 HG SER 95 -13.379 -4.013 -11.661 749 H GLU 96 H GLU 96 -10.654 -3.042 -9.592 750 HA GLU 96 HA GLU 96 -12.954 -1.213 -9.257 751 HB2 GLU 96 2HB GLU 96 -11.498 -2.973 -7.236 752 HB3 GLU 96 1HB GLU 96 -12.877 -1.941 -6.861 753 HG2 GLU 96 2HG GLU 96 -14.272 -3.276 -8.437 754 HG3 GLU 96 1HG GLU 96 -12.892 -4.332 -8.738 755 H THR 97 H THR 97 -10.263 -0.385 -10.167 756 HA THR 97 HA THR 97 -9.851 1.824 -8.290 757 HB THR 97 HB THR 97 -7.627 -0.056 -9.185 758 HG1 THR 97 HG1 THR 97 -8.925 0.486 -6.761 759 HG21 THR 97 1HG2 THR 97 -6.775 2.232 -9.416 760 HG22 THR 97 2HG2 THR 97 -6.036 1.452 -8.015 761 HG23 THR 97 3HG2 THR 97 -7.331 2.627 -7.788 762 H LEU 98 H LEU 98 -8.751 0.339 -11.343 763 HA LEU 98 HA LEU 98 -8.316 1.089 -13.412 764 HB2 LEU 98 2HB LEU 98 -10.821 1.940 -12.902 765 HB3 LEU 98 1HB LEU 98 -10.079 3.514 -13.068 766 HG LEU 98 HG LEU 98 -11.140 2.860 -15.159 767 HD11 LEU 98 1HD1 LEU 98 -9.113 4.214 -15.387 768 HD12 LEU 98 2HD1 LEU 98 -9.341 3.144 -16.766 769 HD13 LEU 98 3HD1 LEU 98 -8.136 2.750 -15.536 770 HD21 LEU 98 1HD2 LEU 98 -9.360 0.407 -15.173 771 HD22 LEU 98 2HD2 LEU 98 -10.459 0.908 -16.463 772 HD23 LEU 98 3HD2 LEU 98 -11.104 0.439 -14.893 Start of MODEL 10 1 H1 ALA 1 1H ALA 1 10.790 -21.832 8.814 2 H2 ALA 1 2H ALA 1 11.414 -23.002 9.867 3 H3 ALA 1 3H ALA 1 12.461 -22.018 8.982 4 HA ALA 1 HA ALA 1 10.579 -21.083 11.056 5 HB1 ALA 1 1HB ALA 1 12.573 -20.680 12.460 6 HB2 ALA 1 2HB ALA 1 13.604 -21.371 11.205 7 HB3 ALA 1 3HB ALA 1 12.428 -22.390 12.035 8 H GLU 2 H GLU 2 13.535 -20.200 9.221 9 HA GLU 2 HA GLU 2 13.216 -17.403 9.649 10 HB2 GLU 2 2HB GLU 2 15.023 -18.866 7.679 11 HB3 GLU 2 1HB GLU 2 15.137 -17.153 8.087 12 HG2 GLU 2 2HG GLU 2 15.656 -19.517 9.925 13 HG3 GLU 2 1HG GLU 2 16.830 -18.350 9.316 14 H GLN 3 H GLN 3 11.222 -16.841 8.929 15 HA GLN 3 HA GLN 3 10.512 -16.948 6.101 16 HB2 GLN 3 2HB GLN 3 8.796 -17.313 7.912 17 HB3 GLN 3 1HB GLN 3 9.080 -15.676 8.482 18 HG2 GLN 3 2HG GLN 3 7.051 -15.696 7.177 19 HG3 GLN 3 1HG GLN 3 8.283 -14.806 6.280 20 HE21 GLN 3 1HE2 GLN 3 7.216 -15.145 4.319 21 HE22 GLN 3 2HE2 GLN 3 7.180 -16.676 3.526 22 H SER 4 H SER 4 10.779 -15.227 4.743 23 HA SER 4 HA SER 4 12.552 -13.101 5.310 24 HB2 SER 4 2HB SER 4 11.732 -12.242 3.040 25 HB3 SER 4 1HB SER 4 12.298 -13.913 3.037 26 HG SER 4 HG SER 4 9.593 -13.027 3.121 27 H ASP 5 H ASP 5 9.105 -13.400 5.539 28 HA ASP 5 HA ASP 5 8.320 -10.695 5.533 29 HB2 ASP 5 2HB ASP 5 6.935 -13.177 6.610 30 HB3 ASP 5 1HB ASP 5 6.165 -11.592 6.516 31 H LYS 6 H LYS 6 9.870 -12.536 7.973 32 HA LYS 6 HA LYS 6 9.177 -11.262 10.353 33 HB2 LYS 6 2HB LYS 6 10.765 -13.175 10.177 34 HB3 LYS 6 1HB LYS 6 11.948 -12.126 9.406 35 HG2 LYS 6 2HG LYS 6 11.953 -10.738 11.559 36 HG3 LYS 6 1HG LYS 6 10.981 -12.019 12.286 37 HD2 LYS 6 2HD LYS 6 13.795 -12.312 11.155 38 HD3 LYS 6 1HD LYS 6 13.358 -12.284 12.863 39 HE2 LYS 6 2HE LYS 6 12.064 -14.386 12.533 40 HE3 LYS 6 1HE LYS 6 12.583 -14.418 10.846 41 HZ1 LYS 6 1HZ LYS 6 13.961 -15.839 12.198 42 HZ2 LYS 6 2HZ LYS 6 14.373 -14.549 13.214 43 HZ3 LYS 6 3HZ LYS 6 14.875 -14.552 11.598 44 H ASP 7 H ASP 7 11.582 -10.299 7.895 45 HA ASP 7 HA ASP 7 11.785 -7.574 8.981 46 HB2 ASP 7 2HB ASP 7 13.858 -8.805 8.324 47 HB3 ASP 7 1HB ASP 7 13.271 -8.888 6.670 48 H VAL 8 H VAL 8 11.399 -8.992 5.709 49 HA VAL 8 HA VAL 8 9.823 -6.635 4.837 50 HB VAL 8 HB VAL 8 11.946 -6.707 3.674 51 HG11 VAL 8 1HG1 VAL 8 12.559 -9.063 4.037 52 HG12 VAL 8 2HG1 VAL 8 12.743 -8.616 2.340 53 HG13 VAL 8 3HG1 VAL 8 11.351 -9.572 2.852 54 HG21 VAL 8 1HG2 VAL 8 9.780 -7.730 1.799 55 HG22 VAL 8 2HG2 VAL 8 11.246 -6.876 1.306 56 HG23 VAL 8 3HG2 VAL 8 10.032 -6.051 2.284 57 H LYS 9 H LYS 9 7.715 -7.066 4.619 58 HA LYS 9 HA LYS 9 6.756 -9.795 4.478 59 HB2 LYS 9 2HB LYS 9 5.223 -7.178 4.649 60 HB3 LYS 9 1HB LYS 9 4.501 -8.785 4.748 61 HG2 LYS 9 2HG LYS 9 5.964 -9.209 6.778 62 HG3 LYS 9 1HG LYS 9 6.420 -7.501 6.718 63 HD2 LYS 9 2HD LYS 9 4.068 -6.847 7.013 64 HD3 LYS 9 1HD LYS 9 3.571 -8.540 7.006 65 HE2 LYS 9 2HE LYS 9 3.614 -7.751 9.300 66 HE3 LYS 9 1HE LYS 9 4.945 -8.888 9.077 67 HZ1 LYS 9 1HZ LYS 9 5.148 -5.928 9.073 68 HZ2 LYS 9 2HZ LYS 9 6.435 -6.985 8.789 69 HZ3 LYS 9 3HZ LYS 9 5.676 -6.964 10.299 70 H TYR 10 H TYR 10 6.227 -10.836 2.724 71 HA TYR 10 HA TYR 10 6.167 -9.580 0.111 72 HB2 TYR 10 2HB TYR 10 6.192 -12.453 1.089 73 HB3 TYR 10 1HB TYR 10 5.858 -12.078 -0.597 74 HD1 TYR 10 HD1 TYR 10 7.671 -12.202 -2.053 75 HD2 TYR 10 HD2 TYR 10 8.408 -11.106 2.020 76 HE1 TYR 10 HE1 TYR 10 10.085 -12.094 -2.509 77 HE2 TYR 10 HE2 TYR 10 10.813 -10.991 1.557 78 HH TYR 10 HH TYR 10 12.096 -10.770 -1.432 79 H TYR 11 H TYR 11 4.337 -8.473 -0.108 80 HA TYR 11 HA TYR 11 1.705 -9.506 0.572 81 HB2 TYR 11 2HB TYR 11 2.894 -6.846 -0.187 82 HB3 TYR 11 1HB TYR 11 1.192 -7.077 -0.551 83 HD1 TYR 11 HD1 TYR 11 -0.405 -6.699 1.085 84 HD2 TYR 11 HD2 TYR 11 3.647 -7.312 2.304 85 HE1 TYR 11 HE1 TYR 11 -0.999 -6.136 3.369 86 HE2 TYR 11 HE2 TYR 11 3.031 -6.748 4.611 87 HH TYR 11 HH TYR 11 -0.260 -6.525 5.603 88 H THR 12 H THR 12 0.027 -9.790 -0.875 89 HA THR 12 HA THR 12 0.603 -9.786 -3.769 90 HB THR 12 HB THR 12 -1.548 -10.958 -4.050 91 HG1 THR 12 HG1 THR 12 -2.956 -11.235 -2.443 92 HG21 THR 12 1HG2 THR 12 -1.092 -13.071 -2.876 93 HG22 THR 12 2HG2 THR 12 0.067 -12.253 -1.829 94 HG23 THR 12 3HG2 THR 12 0.389 -12.393 -3.560 95 H LEU 13 H LEU 13 -0.531 -8.376 -5.103 96 HA LEU 13 HA LEU 13 -1.679 -6.004 -4.040 97 HB2 LEU 13 2HB LEU 13 -0.463 -6.231 -6.287 98 HB3 LEU 13 1HB LEU 13 -1.923 -6.972 -6.917 99 HG LEU 13 HG LEU 13 -3.194 -4.877 -6.512 100 HD11 LEU 13 1HD1 LEU 13 -0.572 -3.741 -5.492 101 HD12 LEU 13 2HD1 LEU 13 -2.025 -4.058 -4.540 102 HD13 LEU 13 3HD1 LEU 13 -2.053 -2.819 -5.789 103 HD21 LEU 13 1HD2 LEU 13 -2.166 -3.465 -8.215 104 HD22 LEU 13 2HD2 LEU 13 -2.060 -5.159 -8.685 105 HD23 LEU 13 3HD2 LEU 13 -0.635 -4.333 -8.052 106 H GLU 14 H GLU 14 -2.929 -9.135 -4.861 107 HA GLU 14 HA GLU 14 -5.704 -8.613 -5.010 108 HB2 GLU 14 2HB GLU 14 -4.708 -10.833 -5.536 109 HB3 GLU 14 1HB GLU 14 -4.272 -11.033 -3.842 110 HG2 GLU 14 2HG GLU 14 -6.953 -10.638 -3.549 111 HG3 GLU 14 1HG GLU 14 -6.946 -11.319 -5.174 112 H GLU 15 H GLU 15 -3.516 -9.194 -2.256 113 HA GLU 15 HA GLU 15 -5.433 -9.340 -0.189 114 HB2 GLU 15 2HB GLU 15 -2.882 -9.951 -0.156 115 HB3 GLU 15 1HB GLU 15 -2.611 -8.252 0.202 116 HG2 GLU 15 2HG GLU 15 -2.592 -9.551 2.254 117 HG3 GLU 15 1HG GLU 15 -3.991 -8.473 2.247 118 H ILE 16 H ILE 16 -3.808 -6.689 -1.748 119 HA ILE 16 HA ILE 16 -4.752 -4.597 -0.006 120 HB ILE 16 HB ILE 16 -3.527 -4.328 -2.784 121 HG12 ILE 16 2HG1 ILE 16 -2.087 -4.459 -0.088 122 HG13 ILE 16 1HG1 ILE 16 -2.036 -5.694 -1.342 123 HG21 ILE 16 1HG2 ILE 16 -3.645 -2.385 -0.443 124 HG22 ILE 16 2HG2 ILE 16 -4.609 -2.294 -1.917 125 HG23 ILE 16 3HG2 ILE 16 -2.864 -2.085 -2.001 126 HD11 ILE 16 1HD1 ILE 16 -0.941 -2.896 -1.549 127 HD12 ILE 16 2HD1 ILE 16 -0.924 -4.106 -2.837 128 HD13 ILE 16 3HD1 ILE 16 -0.026 -4.388 -1.349 129 H GLN 17 H GLN 17 -5.627 -6.000 -3.127 130 HA GLN 17 HA GLN 17 -7.611 -4.131 -3.982 131 HB2 GLN 17 2HB GLN 17 -6.290 -6.050 -5.272 132 HB3 GLN 17 1HB GLN 17 -7.617 -7.070 -4.762 133 HG2 GLN 17 2HG GLN 17 -7.837 -4.604 -6.512 134 HG3 GLN 17 1HG GLN 17 -7.838 -6.267 -7.087 135 HE21 GLN 17 1HE2 GLN 17 -9.663 -7.607 -6.497 136 HE22 GLN 17 2HE2 GLN 17 -11.209 -6.887 -6.231 137 H LYS 18 H LYS 18 -7.536 -6.695 -1.716 138 HA LYS 18 HA LYS 18 -10.343 -7.229 -1.397 139 HB2 LYS 18 2HB LYS 18 -8.370 -8.802 -0.959 140 HB3 LYS 18 1HB LYS 18 -8.001 -7.837 0.461 141 HG2 LYS 18 2HG LYS 18 -10.197 -8.466 1.442 142 HG3 LYS 18 1HG LYS 18 -10.538 -9.452 0.016 143 HD2 LYS 18 2HD LYS 18 -8.241 -9.875 1.975 144 HD3 LYS 18 1HD LYS 18 -9.722 -10.832 1.909 145 HE2 LYS 18 2HE LYS 18 -9.110 -11.660 -0.325 146 HE3 LYS 18 1HE LYS 18 -7.673 -10.635 -0.334 147 HZ1 LYS 18 1HZ LYS 18 -8.173 -12.827 1.612 148 HZ2 LYS 18 2HZ LYS 18 -6.776 -11.870 1.504 149 HZ3 LYS 18 3HZ LYS 18 -7.175 -12.935 0.248 150 H HIS 19 H HIS 19 -9.854 -4.425 -1.259 151 HA HIS 19 HA HIS 19 -9.623 -3.559 1.506 152 HB2 HIS 19 2HB HIS 19 -9.602 -1.232 0.386 153 HB3 HIS 19 1HB HIS 19 -8.241 -2.296 0.063 154 HD1 HIS 19 HD1 HIS 19 -7.511 -1.928 -2.273 155 HD2 HIS 19 HD2 HIS 19 -11.641 -1.731 -1.992 156 HE1 HIS 19 HE1 HIS 19 -8.316 -1.365 -4.563 157 HE2 HIS 19 HE2 HIS 19 -10.778 -0.980 -4.279 158 H LYS 20 H LYS 20 -11.707 -4.628 1.965 159 HA LYS 20 HA LYS 20 -13.987 -2.780 1.512 160 HB2 LYS 20 2HB LYS 20 -14.016 -5.702 2.390 161 HB3 LYS 20 1HB LYS 20 -15.437 -4.674 2.315 162 HG2 LYS 20 2HG LYS 20 -15.573 -5.924 0.337 163 HG3 LYS 20 1HG LYS 20 -14.903 -4.387 -0.193 164 HD2 LYS 20 2HD LYS 20 -13.732 -6.173 -1.325 165 HD3 LYS 20 1HD LYS 20 -12.620 -5.420 -0.180 166 HE2 LYS 20 2HE LYS 20 -12.343 -7.827 -0.077 167 HE3 LYS 20 1HE LYS 20 -13.101 -7.296 1.426 168 HZ1 LYS 20 1HZ LYS 20 -14.165 -9.276 0.558 169 HZ2 LYS 20 2HZ LYS 20 -14.498 -8.499 -0.907 170 HZ3 LYS 20 3HZ LYS 20 -15.250 -7.977 0.513 171 H ASP 21 H ASP 21 -11.566 -2.827 3.423 172 HA ASP 21 HA ASP 21 -12.878 -1.642 5.685 173 HB2 ASP 21 2HB ASP 21 -12.877 -4.202 6.156 174 HB3 ASP 21 1HB ASP 21 -11.125 -4.084 6.257 175 H SER 22 H SER 22 -11.196 -0.658 7.156 176 HA SER 22 HA SER 22 -9.105 0.568 5.676 177 HB2 SER 22 2HB SER 22 -8.420 1.549 7.924 178 HB3 SER 22 1HB SER 22 -10.086 1.867 7.461 179 HG SER 22 HG SER 22 -9.070 0.235 9.491 180 H LYS 23 H LYS 23 -9.191 -2.285 7.789 181 HA LYS 23 HA LYS 23 -6.417 -2.385 8.381 182 HB2 LYS 23 2HB LYS 23 -6.784 -4.722 9.099 183 HB3 LYS 23 1HB LYS 23 -7.957 -3.627 9.786 184 HG2 LYS 23 2HG LYS 23 -9.287 -5.453 9.289 185 HG3 LYS 23 1HG LYS 23 -9.519 -4.463 7.854 186 HD2 LYS 23 2HD LYS 23 -9.245 -6.823 7.270 187 HD3 LYS 23 1HD LYS 23 -7.918 -5.868 6.614 188 HE2 LYS 23 2HE LYS 23 -7.031 -7.939 7.503 189 HE3 LYS 23 1HE LYS 23 -6.495 -6.624 8.547 190 HZ1 LYS 23 1HZ LYS 23 -7.246 -8.525 9.825 191 HZ2 LYS 23 2HZ LYS 23 -8.765 -8.462 9.088 192 HZ3 LYS 23 3HZ LYS 23 -8.268 -7.204 10.100 193 H SER 24 H SER 24 -8.354 -3.733 5.744 194 HA SER 24 HA SER 24 -5.918 -4.558 4.320 195 HB2 SER 24 2HB SER 24 -8.860 -4.959 3.637 196 HB3 SER 24 1HB SER 24 -7.523 -5.439 2.586 197 HG SER 24 HG SER 24 -6.800 -6.825 4.205 198 H THR 25 H THR 25 -5.254 -2.289 4.390 199 HA THR 25 HA THR 25 -5.935 -1.025 1.837 200 HB THR 25 HB THR 25 -5.880 0.584 4.433 201 HG1 THR 25 HG1 THR 25 -7.875 -0.657 3.867 202 HG21 THR 25 1HG2 THR 25 -4.910 1.854 2.552 203 HG22 THR 25 2HG2 THR 25 -6.479 2.523 3.008 204 HG23 THR 25 3HG2 THR 25 -6.337 1.507 1.573 205 H TRP 26 H TRP 26 -4.076 -0.916 0.846 206 HA TRP 26 HA TRP 26 -1.631 0.081 2.101 207 HB2 TRP 26 2HB TRP 26 -1.755 -2.615 0.653 208 HB3 TRP 26 1HB TRP 26 -0.270 -1.819 1.161 209 HD1 TRP 26 HD TRP 26 0.091 -1.634 3.899 210 HE1 TRP 26 HE1 TRP 26 -0.653 -3.165 5.802 211 HE3 TRP 26 HE3 TRP 26 -3.451 -4.315 1.397 212 HZ2 TRP 26 HZ2 TRP 26 -2.475 -5.275 6.193 213 HZ3 TRP 26 HZ3 TRP 26 -4.631 -6.112 2.598 214 HH2 TRP 26 HH TRP 26 -4.150 -6.583 4.953 215 H VAL 27 H VAL 27 0.061 0.439 0.247 216 HA VAL 27 HA VAL 27 -1.152 0.771 -2.438 217 HB VAL 27 HB VAL 27 -0.077 3.060 -2.697 218 HG11 VAL 27 1HG1 VAL 27 -1.851 4.347 -1.556 219 HG12 VAL 27 2HG1 VAL 27 -2.268 2.928 -0.591 220 HG13 VAL 27 3HG1 VAL 27 -2.504 2.905 -2.340 221 HG21 VAL 27 1HG2 VAL 27 0.233 2.916 0.329 222 HG22 VAL 27 2HG2 VAL 27 0.526 4.344 -0.668 223 HG23 VAL 27 3HG2 VAL 27 1.547 2.918 -0.851 224 H ILE 28 H ILE 28 0.401 0.841 -4.162 225 HA ILE 28 HA ILE 28 3.159 0.034 -3.429 226 HB ILE 28 HB ILE 28 3.195 -1.683 -5.161 227 HG12 ILE 28 2HG1 ILE 28 0.666 -2.263 -6.123 228 HG13 ILE 28 1HG1 ILE 28 0.542 -0.514 -6.040 229 HG21 ILE 28 1HG2 ILE 28 2.436 -2.386 -2.976 230 HG22 ILE 28 2HG2 ILE 28 1.526 -3.272 -4.197 231 HG23 ILE 28 3HG2 ILE 28 0.772 -1.925 -3.350 232 HD11 ILE 28 1HD1 ILE 28 1.178 -1.314 -8.255 233 HD12 ILE 28 2HD1 ILE 28 2.640 -2.043 -7.587 234 HD13 ILE 28 3HD1 ILE 28 2.425 -0.291 -7.547 235 H LEU 29 H LEU 29 4.756 1.028 -4.524 236 HA LEU 29 HA LEU 29 4.060 3.087 -6.495 237 HB2 LEU 29 2HB LEU 29 6.160 4.057 -6.122 238 HB3 LEU 29 1HB LEU 29 5.727 3.435 -4.544 239 HG LEU 29 HG LEU 29 7.753 2.212 -6.468 240 HD11 LEU 29 1HD1 LEU 29 9.434 2.845 -4.818 241 HD12 LEU 29 2HD1 LEU 29 8.190 3.606 -3.820 242 HD13 LEU 29 3HD1 LEU 29 8.565 4.251 -5.421 243 HD21 LEU 29 1HD2 LEU 29 7.021 1.261 -3.686 244 HD22 LEU 29 2HD2 LEU 29 8.340 0.637 -4.681 245 HD23 LEU 29 3HD2 LEU 29 6.672 0.427 -5.202 246 H HIS 30 H HIS 30 5.377 -0.098 -6.365 247 HA HIS 30 HA HIS 30 5.118 -0.679 -9.064 248 HB2 HIS 30 2HB HIS 30 7.125 0.747 -9.447 249 HB3 HIS 30 1HB HIS 30 8.028 -0.196 -8.266 250 HD1 HIS 30 HD1 HIS 30 9.400 -2.041 -9.230 251 HD2 HIS 30 HD2 HIS 30 6.298 -0.938 -11.768 252 HE1 HIS 30 HE1 HIS 30 9.696 -3.418 -11.301 253 HE2 HIS 30 HE2 HIS 30 7.953 -2.565 -12.895 254 H HIS 31 H HIS 31 7.720 -1.568 -6.785 255 HA HIS 31 HA HIS 31 6.730 -4.365 -6.743 256 HB2 HIS 31 2HB HIS 31 8.798 -4.265 -8.006 257 HB3 HIS 31 1HB HIS 31 9.575 -3.279 -6.779 258 HD1 HIS 31 HD1 HIS 31 11.055 -4.525 -5.222 259 HD2 HIS 31 HD2 HIS 31 8.198 -7.007 -6.932 260 HE1 HIS 31 HE1 HIS 31 11.545 -6.816 -4.358 261 HE2 HIS 31 HE2 HIS 31 9.651 -8.239 -5.195 262 H LYS 32 H LYS 32 7.374 -1.621 -4.793 263 HA LYS 32 HA LYS 32 7.601 -3.272 -2.332 264 HB2 LYS 32 2HB LYS 32 8.149 -0.287 -2.649 265 HB3 LYS 32 1HB LYS 32 8.374 -1.224 -1.174 266 HG2 LYS 32 2HG LYS 32 9.919 -1.609 -3.768 267 HG3 LYS 32 1HG LYS 32 10.505 -0.754 -2.337 268 HD2 LYS 32 2HD LYS 32 9.772 -3.715 -2.448 269 HD3 LYS 32 1HD LYS 32 11.410 -3.062 -2.497 270 HE2 LYS 32 2HE LYS 32 11.084 -2.108 -0.241 271 HE3 LYS 32 1HE LYS 32 9.458 -2.785 -0.193 272 HZ1 LYS 32 1HZ LYS 32 10.987 -4.171 0.995 273 HZ2 LYS 32 2HZ LYS 32 11.996 -4.302 -0.354 274 HZ3 LYS 32 3HZ LYS 32 10.457 -4.992 -0.384 275 H VAL 33 H VAL 33 6.011 -3.240 -0.870 276 HA VAL 33 HA VAL 33 3.591 -1.640 -1.379 277 HB VAL 33 HB VAL 33 3.210 -4.090 -1.212 278 HG11 VAL 33 1HG1 VAL 33 5.090 -4.692 0.241 279 HG12 VAL 33 2HG1 VAL 33 3.577 -5.317 0.885 280 HG13 VAL 33 3HG1 VAL 33 4.314 -3.888 1.605 281 HG21 VAL 33 1HG2 VAL 33 1.403 -2.587 -0.455 282 HG22 VAL 33 2HG2 VAL 33 2.062 -2.597 1.182 283 HG23 VAL 33 3HG2 VAL 33 1.403 -4.082 0.489 284 H TYR 34 H TYR 34 2.786 -0.310 0.169 285 HA TYR 34 HA TYR 34 4.390 0.308 2.570 286 HB2 TYR 34 2HB TYR 34 2.819 2.243 0.794 287 HB3 TYR 34 1HB TYR 34 3.699 2.682 2.259 288 HD1 TYR 34 HD1 TYR 34 4.027 1.840 -1.315 289 HD2 TYR 34 HD2 TYR 34 6.181 2.630 2.296 290 HE1 TYR 34 HE1 TYR 34 6.082 2.187 -2.608 291 HE2 TYR 34 HE2 TYR 34 8.228 2.973 1.004 292 HH TYR 34 HH TYR 34 9.167 2.367 -1.141 293 H ASP 35 H ASP 35 3.211 0.974 4.368 294 HA ASP 35 HA ASP 35 0.725 -0.476 4.685 295 HB2 ASP 35 2HB ASP 35 2.598 -0.739 6.317 296 HB3 ASP 35 1HB ASP 35 2.451 0.961 6.750 297 H LEU 36 H LEU 36 -0.986 0.662 3.973 298 HA LEU 36 HA LEU 36 -1.133 3.547 4.499 299 HB2 LEU 36 2HB LEU 36 -1.681 2.112 2.186 300 HB3 LEU 36 1HB LEU 36 -3.284 2.369 2.834 301 HG LEU 36 HG LEU 36 -2.663 4.120 1.199 302 HD11 LEU 36 1HD1 LEU 36 -4.224 4.704 3.000 303 HD12 LEU 36 2HD1 LEU 36 -3.258 6.085 2.483 304 HD13 LEU 36 3HD1 LEU 36 -2.868 5.255 3.993 305 HD21 LEU 36 1HD2 LEU 36 -0.480 4.928 3.146 306 HD22 LEU 36 2HD2 LEU 36 -0.883 5.717 1.619 307 HD23 LEU 36 3HD2 LEU 36 -0.215 4.089 1.618 308 H THR 37 H THR 37 -2.371 0.602 5.664 309 HA THR 37 HA THR 37 -4.909 1.329 6.592 310 HB THR 37 HB THR 37 -4.481 -0.986 6.532 311 HG1 THR 37 HG1 THR 37 -5.688 -0.354 8.371 312 HG21 THR 37 1HG2 THR 37 -2.740 -2.165 7.793 313 HG22 THR 37 2HG2 THR 37 -2.117 -0.623 8.387 314 HG23 THR 37 3HG2 THR 37 -2.033 -1.006 6.664 315 H LYS 38 H LYS 38 -1.727 1.767 8.124 316 HA LYS 38 HA LYS 38 -2.912 3.102 10.461 317 HB2 LYS 38 2HB LYS 38 -1.060 1.609 10.935 318 HB3 LYS 38 1HB LYS 38 -0.056 2.374 9.722 319 HG2 LYS 38 2HG LYS 38 0.883 3.199 11.661 320 HG3 LYS 38 1HG LYS 38 -0.228 4.495 11.255 321 HD2 LYS 38 2HD LYS 38 -0.744 2.317 13.311 322 HD3 LYS 38 1HD LYS 38 -0.157 3.936 13.678 323 HE2 LYS 38 2HE LYS 38 -2.393 4.285 14.097 324 HE3 LYS 38 1HE LYS 38 -2.416 4.615 12.361 325 HZ1 LYS 38 1HZ LYS 38 -3.111 2.318 11.994 326 HZ2 LYS 38 2HZ LYS 38 -4.200 3.143 12.988 327 HZ3 LYS 38 3HZ LYS 38 -3.113 2.040 13.660 328 H PHE 39 H PHE 39 -1.450 3.875 7.421 329 HA PHE 39 HA PHE 39 -0.485 6.513 7.944 330 HB2 PHE 39 2HB PHE 39 0.246 4.928 6.090 331 HB3 PHE 39 1HB PHE 39 -1.267 5.263 5.275 332 HD1 PHE 39 HD1 PHE 39 -1.594 7.433 4.084 333 HD2 PHE 39 HD2 PHE 39 2.060 6.573 6.133 334 HE1 PHE 39 HE1 PHE 39 -0.459 9.237 2.857 335 HE2 PHE 39 HE2 PHE 39 3.172 8.385 4.909 336 HZ PHE 39 HZ PHE 39 1.918 9.717 3.260 337 H LEU 40 H LEU 40 -3.558 5.178 6.773 338 HA LEU 40 HA LEU 40 -4.808 7.666 6.164 339 HB2 LEU 40 2HB LEU 40 -6.837 6.422 5.875 340 HB3 LEU 40 1HB LEU 40 -5.521 5.506 5.190 341 HG LEU 40 HG LEU 40 -5.665 4.226 7.581 342 HD11 LEU 40 1HD1 LEU 40 -7.993 3.916 8.298 343 HD12 LEU 40 2HD1 LEU 40 -8.509 5.173 7.169 344 HD13 LEU 40 3HD1 LEU 40 -7.448 5.576 8.517 345 HD21 LEU 40 1HD2 LEU 40 -5.848 3.119 5.390 346 HD22 LEU 40 2HD2 LEU 40 -7.541 3.604 5.273 347 HD23 LEU 40 3HD2 LEU 40 -7.026 2.480 6.535 348 H GLU 41 H GLU 41 -4.717 5.558 9.012 349 HA GLU 41 HA GLU 41 -6.391 7.209 10.656 350 HB2 GLU 41 2HB GLU 41 -4.476 4.955 11.415 351 HB3 GLU 41 1HB GLU 41 -5.629 5.706 12.520 352 HG2 GLU 41 2HG GLU 41 -7.494 4.921 11.121 353 HG3 GLU 41 1HG GLU 41 -6.357 4.181 10.002 354 H GLU 42 H GLU 42 -3.387 7.935 9.512 355 HA GLU 42 HA GLU 42 -2.210 8.926 11.979 356 HB2 GLU 42 2HB GLU 42 -0.867 7.880 10.083 357 HB3 GLU 42 1HB GLU 42 -1.194 9.330 9.146 358 HG2 GLU 42 2HG GLU 42 1.001 9.556 10.067 359 HG3 GLU 42 1HG GLU 42 -0.040 10.680 10.935 360 H TRP 43 H TRP 43 -2.647 10.721 8.866 361 HA TRP 43 HA TRP 43 -3.238 13.150 10.454 362 HB2 TRP 43 2HB TRP 43 -2.353 12.887 7.566 363 HB3 TRP 43 1HB TRP 43 -2.908 14.403 8.246 364 HD1 TRP 43 HD TRP 43 -0.438 12.034 10.063 365 HE1 TRP 43 HE1 TRP 43 1.799 13.266 10.319 366 HE3 TRP 43 HE3 TRP 43 -1.523 16.232 7.371 367 HZ2 TRP 43 HZ2 TRP 43 2.964 15.696 9.481 368 HZ3 TRP 43 HZ3 TRP 43 0.212 17.964 7.130 369 HH2 TRP 43 HH TRP 43 2.410 17.698 8.165 370 HA PRO 44 HA PRO 44 -6.768 13.571 7.228 371 HB2 PRO 44 2HB PRO 44 -7.549 11.550 5.542 372 HB3 PRO 44 1HB PRO 44 -6.203 12.642 5.157 373 HG2 PRO 44 2HG PRO 44 -6.101 9.850 6.265 374 HG3 PRO 44 1HG PRO 44 -5.109 10.592 4.987 375 HD2 PRO 44 2HD PRO 44 -4.225 10.327 7.569 376 HD3 PRO 44 1HD PRO 44 -3.696 11.642 6.502 377 H GLY 45 H GLY 45 -6.676 10.300 8.594 378 HA2 GLY 45 2HA GLY 45 -8.093 9.156 9.982 379 HA3 GLY 45 1HA GLY 45 -9.018 10.632 10.201 380 H GLY 46 H GLY 46 -8.902 10.110 6.900 381 HA2 GLY 46 2HA GLY 46 -11.581 8.834 6.882 382 HA3 GLY 46 1HA GLY 46 -11.045 10.093 5.773 383 H GLU 47 H GLU 47 -10.982 6.770 6.539 384 HA GLU 47 HA GLU 47 -9.034 5.791 4.800 385 HB2 GLU 47 2HB GLU 47 -10.108 3.618 4.973 386 HB3 GLU 47 1HB GLU 47 -10.129 4.387 6.552 387 HG2 GLU 47 2HG GLU 47 -12.485 4.138 4.641 388 HG3 GLU 47 1HG GLU 47 -12.213 3.172 6.088 389 H GLU 48 H GLU 48 -12.339 6.857 4.180 390 HA GLU 48 HA GLU 48 -13.096 5.350 2.020 391 HB2 GLU 48 2HB GLU 48 -14.701 7.192 1.496 392 HB3 GLU 48 1HB GLU 48 -14.664 6.748 3.199 393 HG2 GLU 48 2HG GLU 48 -13.301 8.734 3.712 394 HG3 GLU 48 1HG GLU 48 -13.281 9.175 2.001 395 H VAL 49 H VAL 49 -11.030 8.248 1.924 396 HA VAL 49 HA VAL 49 -11.293 8.775 -0.864 397 HB VAL 49 HB VAL 49 -10.632 10.517 0.766 398 HG11 VAL 49 1HG1 VAL 49 -9.179 9.180 2.246 399 HG12 VAL 49 2HG1 VAL 49 -8.365 10.651 1.712 400 HG13 VAL 49 3HG1 VAL 49 -7.951 9.101 0.978 401 HG21 VAL 49 1HG2 VAL 49 -10.093 10.893 -1.605 402 HG22 VAL 49 2HG2 VAL 49 -8.523 10.113 -1.387 403 HG23 VAL 49 3HG2 VAL 49 -8.877 11.631 -0.558 404 H LEU 50 H LEU 50 -9.154 6.704 0.960 405 HA LEU 50 HA LEU 50 -7.372 6.239 -1.369 406 HB2 LEU 50 2HB LEU 50 -5.698 5.588 0.511 407 HB3 LEU 50 1HB LEU 50 -6.050 7.273 0.236 408 HG LEU 50 HG LEU 50 -7.789 7.015 2.185 409 HD11 LEU 50 1HD1 LEU 50 -7.694 4.584 2.349 410 HD12 LEU 50 2HD1 LEU 50 -7.263 5.357 3.866 411 HD13 LEU 50 3HD1 LEU 50 -6.000 4.669 2.840 412 HD21 LEU 50 1HD2 LEU 50 -5.813 8.451 2.354 413 HD22 LEU 50 2HD2 LEU 50 -4.810 7.064 2.782 414 HD23 LEU 50 3HD2 LEU 50 -6.087 7.595 3.871 415 H ARG 51 H ARG 51 -9.463 4.718 0.884 416 HA ARG 51 HA ARG 51 -8.305 2.090 0.809 417 HB2 ARG 51 2HB ARG 51 -9.377 2.789 2.857 418 HB3 ARG 51 1HB ARG 51 -10.865 3.188 2.022 419 HG2 ARG 51 2HG ARG 51 -9.985 0.322 1.907 420 HG3 ARG 51 1HG ARG 51 -10.537 0.914 3.473 421 HD2 ARG 51 2HD ARG 51 -12.119 0.948 0.871 422 HD3 ARG 51 1HD ARG 51 -12.390 -0.127 2.247 423 HE ARG 51 HE ARG 51 -12.865 1.972 3.551 424 HH11 ARG 51 1HH1 ARG 51 -13.464 1.899 0.086 425 HH12 ARG 51 2HH1 ARG 51 -14.689 3.124 0.149 426 HH21 ARG 51 1HH2 ARG 51 -14.500 3.552 3.608 427 HH22 ARG 51 2HH2 ARG 51 -15.267 4.054 2.141 428 H GLU 52 H GLU 52 -10.947 3.817 -0.777 429 HA GLU 52 HA GLU 52 -12.124 1.651 -2.170 430 HB2 GLU 52 2HB GLU 52 -12.985 3.404 -3.730 431 HB3 GLU 52 1HB GLU 52 -13.231 3.822 -2.035 432 HG2 GLU 52 2HG GLU 52 -11.390 5.385 -2.070 433 HG3 GLU 52 1HG GLU 52 -10.916 4.873 -3.691 434 H GLN 53 H GLN 53 -9.197 3.471 -2.724 435 HA GLN 53 HA GLN 53 -8.646 2.055 -5.263 436 HB2 GLN 53 2HB GLN 53 -7.506 4.154 -6.023 437 HB3 GLN 53 1HB GLN 53 -9.232 4.331 -5.797 438 HG2 GLN 53 2HG GLN 53 -8.741 6.241 -4.666 439 HG3 GLN 53 1HG GLN 53 -8.278 5.188 -3.336 440 HE21 GLN 53 1HE2 GLN 53 -7.102 7.129 -5.994 441 HE22 GLN 53 2HE2 GLN 53 -5.470 7.256 -5.446 442 H ALA 54 H ALA 54 -7.958 1.229 -2.616 443 HA ALA 54 HA ALA 54 -5.219 1.803 -2.022 444 HB1 ALA 54 1HB ALA 54 -5.392 -0.073 -0.423 445 HB2 ALA 54 2HB ALA 54 -6.944 -0.539 -1.126 446 HB3 ALA 54 3HB ALA 54 -6.786 1.006 -0.290 447 H GLY 55 H GLY 55 -3.439 0.966 -2.967 448 HA2 GLY 55 2HA GLY 55 -2.083 -0.639 -4.033 449 HA3 GLY 55 1HA GLY 55 -3.512 -1.550 -4.488 450 H GLY 56 H GLY 56 -4.196 1.612 -5.160 451 HA2 GLY 56 2HA GLY 56 -4.111 1.397 -7.969 452 HA3 GLY 56 1HA GLY 56 -4.372 2.875 -7.050 453 H ASP 57 H ASP 57 -2.164 3.469 -5.783 454 HA ASP 57 HA ASP 57 0.306 2.983 -7.088 455 HB2 ASP 57 2HB ASP 57 -0.660 4.426 -8.864 456 HB3 ASP 57 1HB ASP 57 -1.009 5.683 -7.681 457 H ALA 58 H ALA 58 2.068 4.310 -6.178 458 HA ALA 58 HA ALA 58 1.562 5.823 -3.722 459 HB1 ALA 58 1HB ALA 58 3.190 4.541 -2.424 460 HB2 ALA 58 2HB ALA 58 3.489 3.476 -3.800 461 HB3 ALA 58 3HB ALA 58 1.919 3.461 -3.006 462 H THR 59 H THR 59 3.029 5.633 -6.678 463 HA THR 59 HA THR 59 5.658 6.631 -6.113 464 HB THR 59 HB THR 59 4.140 6.749 -8.757 465 HG1 THR 59 HG1 THR 59 4.237 4.634 -8.407 466 HG21 THR 59 1HG2 THR 59 6.165 8.174 -8.751 467 HG22 THR 59 2HG2 THR 59 6.402 6.770 -9.792 468 HG23 THR 59 3HG2 THR 59 7.135 6.808 -8.188 469 H GLU 60 H GLU 60 2.677 8.070 -7.418 470 HA GLU 60 HA GLU 60 3.504 10.760 -6.483 471 HB2 GLU 60 2HB GLU 60 3.204 10.609 -8.941 472 HB3 GLU 60 1HB GLU 60 1.570 9.992 -8.720 473 HG2 GLU 60 2HG GLU 60 0.931 12.150 -7.646 474 HG3 GLU 60 1HG GLU 60 2.557 12.765 -7.946 475 H ASN 61 H ASN 61 1.093 8.208 -6.386 476 HA ASN 61 HA ASN 61 -1.149 9.863 -5.655 477 HB2 ASN 61 2HB ASN 61 -1.385 7.743 -6.931 478 HB3 ASN 61 1HB ASN 61 -0.876 6.834 -5.517 479 HD21 ASN 61 1HD2 ASN 61 -2.349 6.547 -3.810 480 HD22 ASN 61 2HD2 ASN 61 -4.029 6.915 -3.958 481 H PHE 62 H PHE 62 1.371 8.436 -3.808 482 HA PHE 62 HA PHE 62 0.276 7.954 -1.296 483 HB2 PHE 62 2HB PHE 62 2.530 8.240 -0.399 484 HB3 PHE 62 1HB PHE 62 2.679 7.487 -1.982 485 HD1 PHE 62 HD1 PHE 62 3.435 8.914 -3.963 486 HD2 PHE 62 HD2 PHE 62 3.540 10.400 0.039 487 HE1 PHE 62 HE1 PHE 62 4.906 10.749 -4.670 488 HE2 PHE 62 HE2 PHE 62 5.000 12.220 -0.693 489 HZ PHE 62 HZ PHE 62 5.686 12.402 -3.035 490 H GLU 63 H GLU 63 1.117 11.010 -2.838 491 HA GLU 63 HA GLU 63 0.817 12.629 -0.436 492 HB2 GLU 63 2HB GLU 63 2.642 13.066 -2.089 493 HB3 GLU 63 1HB GLU 63 1.431 13.417 -3.316 494 HG2 GLU 63 2HG GLU 63 0.652 15.359 -1.921 495 HG3 GLU 63 1HG GLU 63 1.956 15.006 -0.784 496 H ASP 64 H ASP 64 -0.894 11.872 -3.413 497 HA ASP 64 HA ASP 64 -2.854 13.848 -3.510 498 HB2 ASP 64 2HB ASP 64 -2.494 12.191 -5.351 499 HB3 ASP 64 1HB ASP 64 -3.110 10.907 -4.322 500 H VAL 65 H VAL 65 -3.147 10.592 -2.162 501 HA VAL 65 HA VAL 65 -5.686 11.192 -0.853 502 HB VAL 65 HB VAL 65 -5.756 8.770 -0.367 503 HG11 VAL 65 1HG1 VAL 65 -5.077 9.390 -3.257 504 HG12 VAL 65 2HG1 VAL 65 -6.660 9.561 -2.494 505 HG13 VAL 65 3HG1 VAL 65 -5.945 7.960 -2.690 506 HG21 VAL 65 1HG2 VAL 65 -3.345 8.305 -0.034 507 HG22 VAL 65 2HG2 VAL 65 -3.039 8.596 -1.747 508 HG23 VAL 65 3HG2 VAL 65 -4.025 7.222 -1.249 509 H GLY 66 H GLY 66 -2.362 11.005 -0.020 510 HA2 GLY 66 2HA GLY 66 -2.757 10.314 2.780 511 HA3 GLY 66 1HA GLY 66 -1.234 10.595 1.954 512 H PHE 67 H PHE 67 -0.177 12.320 2.684 513 HA PHE 67 HA PHE 67 -1.626 14.370 4.249 514 HB2 PHE 67 2HB PHE 67 1.383 13.846 4.316 515 HB3 PHE 67 1HB PHE 67 0.405 14.678 5.516 516 HD1 PHE 67 HD1 PHE 67 2.410 12.621 6.220 517 HD2 PHE 67 HD2 PHE 67 -1.747 12.158 5.298 518 HE1 PHE 67 HE1 PHE 67 2.317 10.559 7.544 519 HE2 PHE 67 HE2 PHE 67 -1.799 10.104 6.618 520 HZ PHE 67 HZ PHE 67 0.225 9.305 7.740 521 H SER 68 H SER 68 0.147 16.411 4.308 522 HA SER 68 HA SER 68 0.240 17.698 1.783 523 HB2 SER 68 2HB SER 68 1.839 19.266 3.164 524 HB3 SER 68 1HB SER 68 0.165 19.105 3.699 525 HG SER 68 HG SER 68 2.507 18.143 4.875 526 H THR 69 H THR 69 2.971 18.760 1.809 527 HA THR 69 HA THR 69 4.315 16.951 0.113 528 HB THR 69 HB THR 69 6.320 18.507 0.422 529 HG1 THR 69 HG1 THR 69 6.223 19.436 2.354 530 HG21 THR 69 1HG2 THR 69 4.603 18.965 -1.314 531 HG22 THR 69 2HG2 THR 69 5.269 20.456 -0.651 532 HG23 THR 69 3HG2 THR 69 3.671 19.904 -0.144 533 H ASP 70 H ASP 70 4.244 17.147 3.558 534 HA ASP 70 HA ASP 70 6.658 15.920 4.320 535 HB2 ASP 70 2HB ASP 70 3.947 15.808 5.728 536 HB3 ASP 70 1HB ASP 70 5.496 15.401 6.468 537 H ALA 71 H ALA 71 3.773 14.589 2.910 538 HA ALA 71 HA ALA 71 3.723 11.980 3.901 539 HB1 ALA 71 1HB ALA 71 2.307 11.423 1.968 540 HB2 ALA 71 2HB ALA 71 2.788 12.920 1.164 541 HB3 ALA 71 3HB ALA 71 1.845 12.982 2.653 542 H ARG 72 H ARG 72 6.013 13.349 1.663 543 HA ARG 72 HA ARG 72 6.618 10.992 0.191 544 HB2 ARG 72 2HB ARG 72 8.587 12.170 -0.648 545 HB3 ARG 72 1HB ARG 72 7.176 13.217 -0.687 546 HG2 ARG 72 2HG ARG 72 7.997 14.328 1.400 547 HG3 ARG 72 1HG ARG 72 9.447 13.323 1.327 548 HD2 ARG 72 2HD ARG 72 8.568 15.357 -0.760 549 HD3 ARG 72 1HD ARG 72 9.874 15.566 0.407 550 HE ARG 72 HE ARG 72 11.084 13.783 -0.731 551 HH11 ARG 72 1HH1 ARG 72 8.433 15.210 -2.538 552 HH12 ARG 72 2HH1 ARG 72 9.064 14.730 -4.080 553 HH21 ARG 72 1HH2 ARG 72 11.904 13.154 -2.758 554 HH22 ARG 72 2HH2 ARG 72 11.034 13.564 -4.206 555 H GLU 73 H GLU 73 8.113 12.422 3.114 556 HA GLU 73 HA GLU 73 10.075 10.297 3.312 557 HB2 GLU 73 2HB GLU 73 10.707 11.350 5.461 558 HB3 GLU 73 1HB GLU 73 10.679 12.513 4.144 559 HG2 GLU 73 2HG GLU 73 8.462 13.315 4.929 560 HG3 GLU 73 1HG GLU 73 8.545 12.189 6.281 561 H LEU 74 H LEU 74 6.916 11.074 4.705 562 HA LEU 74 HA LEU 74 6.843 9.117 6.726 563 HB2 LEU 74 2HB LEU 74 4.739 10.727 5.300 564 HB3 LEU 74 1HB LEU 74 4.204 9.354 6.243 565 HG LEU 74 HG LEU 74 3.984 11.345 7.586 566 HD11 LEU 74 1HD1 LEU 74 4.611 9.319 8.783 567 HD12 LEU 74 2HD1 LEU 74 5.255 10.752 9.577 568 HD13 LEU 74 3HD1 LEU 74 6.325 9.723 8.619 569 HD21 LEU 74 1HD2 LEU 74 6.939 11.879 7.167 570 HD22 LEU 74 2HD2 LEU 74 5.852 12.792 8.219 571 HD23 LEU 74 3HD2 LEU 74 5.599 12.799 6.478 572 H SER 75 H SER 75 5.776 8.949 3.307 573 HA SER 75 HA SER 75 4.669 6.351 3.385 574 HB2 SER 75 2HB SER 75 4.973 6.373 0.884 575 HB3 SER 75 1HB SER 75 4.186 7.827 1.500 576 HG SER 75 HG SER 75 5.841 8.991 0.896 577 H LYS 76 H LYS 76 7.941 7.511 2.604 578 HA LYS 76 HA LYS 76 9.203 5.069 2.049 579 HB2 LYS 76 2HB LYS 76 10.299 7.677 3.162 580 HB3 LYS 76 1HB LYS 76 11.336 6.326 2.713 581 HG2 LYS 76 2HG LYS 76 9.449 7.758 0.810 582 HG3 LYS 76 1HG LYS 76 11.173 8.106 0.965 583 HD2 LYS 76 2HD LYS 76 10.016 5.404 0.127 584 HD3 LYS 76 1HD LYS 76 10.631 6.627 -0.990 585 HE2 LYS 76 2HE LYS 76 12.874 6.426 -0.046 586 HE3 LYS 76 1HE LYS 76 12.294 5.308 1.189 587 HZ1 LYS 76 1HZ LYS 76 13.406 4.210 -0.672 588 HZ2 LYS 76 2HZ LYS 76 12.210 4.778 -1.725 589 HZ3 LYS 76 3HZ LYS 76 11.806 3.699 -0.487 590 H LYS 77 H LYS 77 8.427 6.564 5.152 591 HA LYS 77 HA LYS 77 9.979 4.770 6.786 592 HB2 LYS 77 2HB LYS 77 7.599 6.531 7.499 593 HB3 LYS 77 1HB LYS 77 8.589 5.669 8.674 594 HG2 LYS 77 2HG LYS 77 10.521 7.023 8.124 595 HG3 LYS 77 1HG LYS 77 9.656 7.801 6.799 596 HD2 LYS 77 2HD LYS 77 9.698 9.318 8.696 597 HD3 LYS 77 1HD LYS 77 8.044 8.756 8.445 598 HE2 LYS 77 2HE LYS 77 8.438 7.053 10.270 599 HE3 LYS 77 1HE LYS 77 9.994 7.828 10.575 600 HZ1 LYS 77 1HZ LYS 77 7.322 9.090 10.807 601 HZ2 LYS 77 2HZ LYS 77 8.794 9.886 11.029 602 HZ3 LYS 77 3HZ LYS 77 8.339 8.647 12.084 603 H TYR 78 H TYR 78 6.692 4.837 5.533 604 HA TYR 78 HA TYR 78 5.711 2.618 7.115 605 HB2 TYR 78 2HB TYR 78 4.549 4.480 5.056 606 HB3 TYR 78 1HB TYR 78 3.709 2.963 5.346 607 HD1 TYR 78 HD1 TYR 78 2.475 2.588 7.378 608 HD2 TYR 78 HD2 TYR 78 4.714 6.189 6.940 609 HE1 TYR 78 HE1 TYR 78 1.330 3.539 9.304 610 HE2 TYR 78 HE2 TYR 78 3.558 7.148 8.876 611 HH TYR 78 HH TYR 78 1.504 6.853 10.135 612 H ILE 79 H ILE 79 7.951 2.295 4.968 613 HA ILE 79 HA ILE 79 7.007 0.444 3.055 614 HB ILE 79 HB ILE 79 9.146 1.548 2.734 615 HG12 ILE 79 2HG1 ILE 79 9.557 -1.455 3.088 616 HG13 ILE 79 1HG1 ILE 79 8.946 -0.644 1.649 617 HG21 ILE 79 1HG2 ILE 79 11.147 1.158 4.102 618 HG22 ILE 79 2HG2 ILE 79 10.234 0.095 5.174 619 HG23 ILE 79 3HG2 ILE 79 9.839 1.813 5.090 620 HD11 ILE 79 1HD1 ILE 79 11.731 -0.367 2.782 621 HD12 ILE 79 2HD1 ILE 79 11.114 0.445 1.341 622 HD13 ILE 79 3HD1 ILE 79 11.262 -1.309 1.371 623 H ILE 80 H ILE 80 5.738 -1.164 3.871 624 HA ILE 80 HA ILE 80 6.360 -2.509 6.382 625 HB ILE 80 HB ILE 80 4.031 -1.827 5.908 626 HG12 ILE 80 2HG1 ILE 80 4.285 -4.864 6.064 627 HG13 ILE 80 1HG1 ILE 80 4.471 -3.760 7.422 628 HG21 ILE 80 1HG2 ILE 80 2.630 -2.946 4.223 629 HG22 ILE 80 2HG2 ILE 80 4.029 -3.853 3.642 630 HG23 ILE 80 3HG2 ILE 80 3.982 -2.097 3.468 631 HD11 ILE 80 1HD1 ILE 80 1.953 -4.203 5.828 632 HD12 ILE 80 2HD1 ILE 80 2.141 -3.064 7.163 633 HD13 ILE 80 3HD1 ILE 80 2.302 -4.793 7.452 634 H GLY 81 H GLY 81 6.530 -3.106 2.965 635 HA2 GLY 81 2HA GLY 81 8.354 -5.243 3.171 636 HA3 GLY 81 1HA GLY 81 6.732 -5.896 2.900 637 H GLU 82 H GLU 82 7.492 -6.718 0.909 638 HA GLU 82 HA GLU 82 7.453 -4.694 -1.249 639 HB2 GLU 82 2HB GLU 82 8.742 -6.257 -2.656 640 HB3 GLU 82 1HB GLU 82 9.638 -5.770 -1.220 641 HG2 GLU 82 2HG GLU 82 9.183 -7.908 -0.146 642 HG3 GLU 82 1HG GLU 82 8.156 -8.399 -1.494 643 H LEU 83 H LEU 83 5.969 -4.956 -2.784 644 HA LEU 83 HA LEU 83 3.941 -6.981 -2.699 645 HB2 LEU 83 2HB LEU 83 3.917 -4.452 -3.595 646 HB3 LEU 83 1HB LEU 83 4.433 -5.185 -5.099 647 HG LEU 83 HG LEU 83 1.972 -4.730 -4.959 648 HD11 LEU 83 1HD1 LEU 83 1.142 -6.808 -5.855 649 HD12 LEU 83 2HD1 LEU 83 2.554 -7.672 -5.241 650 HD13 LEU 83 3HD1 LEU 83 2.743 -6.454 -6.502 651 HD21 LEU 83 1HD2 LEU 83 1.958 -6.864 -2.811 652 HD22 LEU 83 2HD2 LEU 83 0.540 -6.101 -3.534 653 HD23 LEU 83 3HD2 LEU 83 1.661 -5.137 -2.577 654 H HIS 84 H HIS 84 3.679 -8.694 -4.226 655 HA HIS 84 HA HIS 84 6.050 -9.905 -5.280 656 HB2 HIS 84 2HB HIS 84 3.128 -10.573 -5.858 657 HB3 HIS 84 1HB HIS 84 4.509 -11.582 -6.279 658 HD1 HIS 84 HD1 HIS 84 2.148 -12.461 -4.430 659 HD2 HIS 84 HD2 HIS 84 5.864 -11.141 -3.149 660 HE1 HIS 84 HE1 HIS 84 2.444 -13.415 -2.134 661 HE2 HIS 84 HE2 HIS 84 4.798 -12.825 -1.506 662 HA PRO 85 HA PRO 85 6.289 -7.565 -9.169 663 HB2 PRO 85 2HB PRO 85 7.722 -9.514 -10.622 664 HB3 PRO 85 1HB PRO 85 8.444 -8.301 -9.544 665 HG2 PRO 85 2HG PRO 85 7.778 -11.167 -8.969 666 HG3 PRO 85 1HG PRO 85 9.208 -10.221 -8.496 667 HD2 PRO 85 2HD PRO 85 7.260 -10.706 -6.720 668 HD3 PRO 85 1HD PRO 85 8.082 -9.129 -6.751 669 H ASP 86 H ASP 86 4.961 -10.780 -8.909 670 HA ASP 86 HA ASP 86 3.808 -11.007 -11.523 671 HB2 ASP 86 2HB ASP 86 4.237 -13.038 -10.188 672 HB3 ASP 86 1HB ASP 86 3.162 -12.469 -8.917 673 H ASP 87 H ASP 87 2.571 -10.141 -8.299 674 HA ASP 87 HA ASP 87 -0.172 -10.005 -9.088 675 HB2 ASP 87 2HB ASP 87 1.295 -9.139 -6.586 676 HB3 ASP 87 1HB ASP 87 -0.420 -8.836 -6.780 677 H ARG 88 H ARG 88 2.395 -7.599 -8.692 678 HA ARG 88 HA ARG 88 0.722 -5.299 -8.783 679 HB2 ARG 88 2HB ARG 88 2.759 -3.983 -9.030 680 HB3 ARG 88 1HB ARG 88 2.994 -5.232 -7.828 681 HG2 ARG 88 2HG ARG 88 5.019 -5.372 -8.930 682 HG3 ARG 88 1HG ARG 88 4.098 -6.558 -9.856 683 HD2 ARG 88 2HD ARG 88 3.608 -4.765 -11.555 684 HD3 ARG 88 1HD ARG 88 4.664 -3.674 -10.652 685 HE ARG 88 HE ARG 88 6.295 -5.750 -11.101 686 HH11 ARG 88 1HH1 ARG 88 4.196 -3.989 -13.324 687 HH12 ARG 88 2HH1 ARG 88 5.217 -4.278 -14.694 688 HH21 ARG 88 1HH2 ARG 88 7.609 -6.077 -12.914 689 HH22 ARG 88 2HH2 ARG 88 7.139 -5.456 -14.459 690 H SER 89 H SER 89 2.162 -7.310 -11.252 691 HA SER 89 HA SER 89 1.494 -5.478 -13.441 692 HB2 SER 89 2HB SER 89 2.653 -7.184 -14.860 693 HB3 SER 89 1HB SER 89 3.663 -6.619 -13.524 694 HG SER 89 HG SER 89 3.535 -8.517 -12.593 695 H LYS 90 H LYS 90 0.312 -8.360 -11.882 696 HA LYS 90 HA LYS 90 -1.418 -9.331 -13.949 697 HB2 LYS 90 2HB LYS 90 -0.607 -10.819 -12.183 698 HB3 LYS 90 1HB LYS 90 -1.335 -9.813 -10.940 699 HG2 LYS 90 2HG LYS 90 -3.593 -10.439 -11.789 700 HG3 LYS 90 1HG LYS 90 -2.832 -11.489 -12.989 701 HD2 LYS 90 2HD LYS 90 -3.606 -12.787 -11.034 702 HD3 LYS 90 1HD LYS 90 -1.850 -12.859 -11.189 703 HE2 LYS 90 2HE LYS 90 -1.656 -11.100 -9.429 704 HE3 LYS 90 1HE LYS 90 -3.413 -11.109 -9.260 705 HZ1 LYS 90 1HZ LYS 90 -1.616 -13.413 -8.766 706 HZ2 LYS 90 2HZ LYS 90 -3.297 -13.411 -8.564 707 HZ3 LYS 90 3HZ LYS 90 -2.322 -12.439 -7.577 708 H ILE 91 H ILE 91 -1.961 -7.508 -10.934 709 HA ILE 91 HA ILE 91 -4.643 -6.664 -11.816 710 HB ILE 91 HB ILE 91 -3.453 -6.189 -9.048 711 HG12 ILE 91 2HG1 ILE 91 -4.763 -8.750 -10.074 712 HG13 ILE 91 1HG1 ILE 91 -3.144 -8.570 -9.430 713 HG21 ILE 91 1HG2 ILE 91 -5.549 -4.991 -9.546 714 HG22 ILE 91 2HG2 ILE 91 -5.813 -6.209 -8.301 715 HG23 ILE 91 3HG2 ILE 91 -6.342 -6.512 -9.958 716 HD11 ILE 91 1HD1 ILE 91 -5.702 -8.331 -7.859 717 HD12 ILE 91 2HD1 ILE 91 -4.071 -8.119 -7.215 718 HD13 ILE 91 3HD1 ILE 91 -4.572 -9.684 -7.853 719 H ALA 92 H ALA 92 -2.012 -5.613 -12.834 720 HA ALA 92 HA ALA 92 -1.642 -2.904 -12.101 721 HB1 ALA 92 1HB ALA 92 -0.462 -2.681 -14.259 722 HB2 ALA 92 2HB ALA 92 -1.108 -4.242 -14.778 723 HB3 ALA 92 3HB ALA 92 0.011 -4.160 -13.419 724 H LYS 93 H LYS 93 -3.927 -4.494 -14.214 725 HA LYS 93 HA LYS 93 -5.328 -1.941 -14.803 726 HB2 LYS 93 2HB LYS 93 -5.464 -4.647 -16.226 727 HB3 LYS 93 1HB LYS 93 -6.423 -3.237 -16.660 728 HG2 LYS 93 2HG LYS 93 -4.516 -2.053 -17.473 729 HG3 LYS 93 1HG LYS 93 -3.391 -3.181 -16.711 730 HD2 LYS 93 2HD LYS 93 -5.261 -3.858 -19.024 731 HD3 LYS 93 1HD LYS 93 -3.535 -3.513 -19.175 732 HE2 LYS 93 2HE LYS 93 -3.047 -5.484 -17.719 733 HE3 LYS 93 1HE LYS 93 -4.772 -5.848 -17.658 734 HZ1 LYS 93 1HZ LYS 93 -4.751 -6.190 -20.035 735 HZ2 LYS 93 2HZ LYS 93 -3.618 -7.196 -19.288 736 HZ3 LYS 93 3HZ LYS 93 -3.105 -5.813 -20.116 737 HA PRO 94 HA PRO 94 -7.983 -4.330 -11.824 738 HB2 PRO 94 2HB PRO 94 -8.118 -2.597 -9.785 739 HB3 PRO 94 1HB PRO 94 -6.604 -3.462 -10.127 740 HG2 PRO 94 2HG PRO 94 -7.318 -0.617 -10.707 741 HG3 PRO 94 1HG PRO 94 -5.766 -1.314 -10.203 742 HD2 PRO 94 2HD PRO 94 -6.544 -0.701 -12.876 743 HD3 PRO 94 1HD PRO 94 -5.112 -1.628 -12.379 744 H SER 95 H SER 95 -10.155 -3.962 -10.928 745 HA SER 95 HA SER 95 -11.831 -2.221 -12.622 746 HB2 SER 95 2HB SER 95 -12.325 -4.649 -12.666 747 HB3 SER 95 1HB SER 95 -12.532 -4.655 -10.915 748 HG SER 95 HG SER 95 -14.154 -2.812 -11.758 749 H GLU 96 H GLU 96 -11.992 -3.473 -9.263 750 HA GLU 96 HA GLU 96 -13.461 -1.108 -8.330 751 HB2 GLU 96 2HB GLU 96 -12.738 -3.712 -6.908 752 HB3 GLU 96 1HB GLU 96 -13.810 -2.466 -6.267 753 HG2 GLU 96 2HG GLU 96 -15.397 -2.881 -8.111 754 HG3 GLU 96 1HG GLU 96 -14.323 -4.122 -8.762 755 H THR 97 H THR 97 -10.639 -0.794 -9.003 756 HA THR 97 HA THR 97 -9.630 0.266 -6.447 757 HB THR 97 HB THR 97 -7.896 -1.313 -8.396 758 HG1 THR 97 HG1 THR 97 -9.422 -2.150 -6.322 759 HG21 THR 97 1HG2 THR 97 -7.166 -0.143 -5.687 760 HG22 THR 97 2HG2 THR 97 -6.612 0.468 -7.248 761 HG23 THR 97 3HG2 THR 97 -6.112 -1.134 -6.699 762 H LEU 98 H LEU 98 -9.535 0.186 -9.987 763 HA LEU 98 HA LEU 98 -8.072 2.681 -10.243 764 HB2 LEU 98 2HB LEU 98 -7.855 0.755 -11.851 765 HB3 LEU 98 1HB LEU 98 -9.506 1.042 -12.372 766 HG LEU 98 HG LEU 98 -8.813 3.335 -13.154 767 HD11 LEU 98 1HD1 LEU 98 -6.000 2.410 -12.486 768 HD12 LEU 98 2HD1 LEU 98 -6.897 3.706 -11.689 769 HD13 LEU 98 3HD1 LEU 98 -6.427 3.875 -13.378 770 HD21 LEU 98 1HD2 LEU 98 -8.947 1.462 -14.730 771 HD22 LEU 98 2HD2 LEU 98 -7.264 1.038 -14.397 772 HD23 LEU 98 3HD2 LEU 98 -7.657 2.576 -15.171 Start of MODEL 11 1 H1 ALA 1 1H ALA 1 13.333 -19.227 13.222 2 H2 ALA 1 2H ALA 1 12.537 -20.712 13.122 3 H3 ALA 1 3H ALA 1 11.661 -19.278 12.982 4 HA ALA 1 HA ALA 1 13.723 -20.235 11.097 5 HB1 ALA 1 1HB ALA 1 11.681 -21.596 10.999 6 HB2 ALA 1 2HB ALA 1 11.850 -20.625 9.537 7 HB3 ALA 1 3HB ALA 1 10.700 -20.144 10.792 8 H GLU 2 H GLU 2 14.730 -18.495 10.298 9 HA GLU 2 HA GLU 2 13.576 -15.869 10.162 10 HB2 GLU 2 2HB GLU 2 16.115 -16.945 8.846 11 HB3 GLU 2 1HB GLU 2 15.652 -15.246 8.948 12 HG2 GLU 2 2HG GLU 2 15.713 -15.469 11.467 13 HG3 GLU 2 1HG GLU 2 16.375 -17.082 11.244 14 H GLN 3 H GLN 3 11.671 -16.225 9.014 15 HA GLN 3 HA GLN 3 11.618 -17.117 6.274 16 HB2 GLN 3 2HB GLN 3 9.682 -17.307 7.882 17 HB3 GLN 3 1HB GLN 3 9.524 -15.555 7.873 18 HG2 GLN 3 2HG GLN 3 7.849 -16.553 6.432 19 HG3 GLN 3 1HG GLN 3 8.994 -15.636 5.457 20 HE21 GLN 3 1HE2 GLN 3 9.591 -18.901 6.765 21 HE22 GLN 3 2HE2 GLN 3 9.624 -19.682 5.227 22 H SER 4 H SER 4 11.090 -15.680 4.460 23 HA SER 4 HA SER 4 12.770 -13.530 4.068 24 HB2 SER 4 2HB SER 4 11.281 -13.056 2.074 25 HB3 SER 4 1HB SER 4 11.784 -14.738 2.229 26 HG SER 4 HG SER 4 9.271 -13.665 3.049 27 H ASP 5 H ASP 5 9.563 -13.521 5.424 28 HA ASP 5 HA ASP 5 8.928 -10.768 5.070 29 HB2 ASP 5 2HB ASP 5 7.700 -12.859 6.905 30 HB3 ASP 5 1HB ASP 5 6.983 -11.293 6.527 31 H LYS 6 H LYS 6 10.819 -12.428 7.406 32 HA LYS 6 HA LYS 6 10.530 -11.010 9.781 33 HB2 LYS 6 2HB LYS 6 11.875 -13.071 9.541 34 HB3 LYS 6 1HB LYS 6 13.071 -12.212 8.583 35 HG2 LYS 6 2HG LYS 6 13.493 -10.764 10.652 36 HG3 LYS 6 1HG LYS 6 12.482 -11.909 11.546 37 HD2 LYS 6 2HD LYS 6 14.018 -13.759 10.858 38 HD3 LYS 6 1HD LYS 6 15.036 -12.578 10.027 39 HE2 LYS 6 2HE LYS 6 16.036 -13.049 12.153 40 HE3 LYS 6 1HE LYS 6 15.367 -11.418 12.232 41 HZ1 LYS 6 1HZ LYS 6 14.851 -12.610 14.231 42 HZ2 LYS 6 2HZ LYS 6 14.161 -13.882 13.365 43 HZ3 LYS 6 3HZ LYS 6 13.418 -12.368 13.371 44 H ASP 7 H ASP 7 12.699 -10.323 7.043 45 HA ASP 7 HA ASP 7 13.433 -7.704 8.145 46 HB2 ASP 7 2HB ASP 7 14.417 -9.317 5.766 47 HB3 ASP 7 1HB ASP 7 14.864 -7.629 5.971 48 H VAL 8 H VAL 8 11.751 -9.075 5.316 49 HA VAL 8 HA VAL 8 10.441 -6.493 4.809 50 HB VAL 8 HB VAL 8 12.406 -6.403 3.363 51 HG11 VAL 8 1HG1 VAL 8 12.966 -8.788 3.205 52 HG12 VAL 8 2HG1 VAL 8 12.921 -8.046 1.606 53 HG13 VAL 8 3HG1 VAL 8 11.581 -9.061 2.146 54 HG21 VAL 8 1HG2 VAL 8 10.335 -5.458 2.466 55 HG22 VAL 8 2HG2 VAL 8 9.920 -7.006 1.725 56 HG23 VAL 8 3HG2 VAL 8 11.331 -6.107 1.160 57 H LYS 9 H LYS 9 8.280 -6.907 4.725 58 HA LYS 9 HA LYS 9 7.371 -9.668 4.551 59 HB2 LYS 9 2HB LYS 9 6.551 -7.847 6.225 60 HB3 LYS 9 1HB LYS 9 5.555 -7.256 4.912 61 HG2 LYS 9 2HG LYS 9 5.406 -10.100 5.970 62 HG3 LYS 9 1HG LYS 9 4.394 -8.790 6.573 63 HD2 LYS 9 2HD LYS 9 3.396 -8.517 4.343 64 HD3 LYS 9 1HD LYS 9 4.447 -9.769 3.697 65 HE2 LYS 9 2HE LYS 9 3.359 -11.419 5.203 66 HE3 LYS 9 1HE LYS 9 2.261 -10.152 5.768 67 HZ1 LYS 9 1HZ LYS 9 1.476 -9.892 3.470 68 HZ2 LYS 9 2HZ LYS 9 1.227 -11.461 4.036 69 HZ3 LYS 9 3HZ LYS 9 2.499 -11.143 2.971 70 H TYR 10 H TYR 10 6.598 -10.589 2.816 71 HA TYR 10 HA TYR 10 6.345 -9.133 0.307 72 HB2 TYR 10 2HB TYR 10 6.339 -12.088 1.029 73 HB3 TYR 10 1HB TYR 10 5.954 -11.526 -0.597 74 HD1 TYR 10 HD1 TYR 10 8.642 -11.069 2.015 75 HD2 TYR 10 HD2 TYR 10 7.718 -11.404 -2.141 76 HE1 TYR 10 HE1 TYR 10 11.041 -10.995 1.474 77 HE2 TYR 10 HE2 TYR 10 10.114 -11.329 -2.685 78 HH TYR 10 HH TYR 10 12.555 -11.703 -0.376 79 H TYR 11 H TYR 11 4.535 -8.197 -0.143 80 HA TYR 11 HA TYR 11 1.896 -9.289 0.604 81 HB2 TYR 11 2HB TYR 11 2.930 -6.544 -0.159 82 HB3 TYR 11 1HB TYR 11 1.249 -6.911 -0.490 83 HD1 TYR 11 HD1 TYR 11 -0.369 -6.644 1.195 84 HD2 TYR 11 HD2 TYR 11 3.750 -6.859 2.317 85 HE1 TYR 11 HE1 TYR 11 -0.959 -6.040 3.488 86 HE2 TYR 11 HE2 TYR 11 3.143 -6.247 4.620 87 HH TYR 11 HH TYR 11 -0.181 -6.097 5.658 88 H THR 12 H THR 12 0.274 -9.580 -0.973 89 HA THR 12 HA THR 12 1.095 -9.402 -3.829 90 HB THR 12 HB THR 12 -0.783 -10.877 -4.380 91 HG1 THR 12 HG1 THR 12 -2.176 -11.655 -2.864 92 HG21 THR 12 1HG2 THR 12 1.318 -12.006 -3.814 93 HG22 THR 12 2HG2 THR 12 -0.065 -12.977 -3.299 94 HG23 THR 12 3HG2 THR 12 0.851 -12.048 -2.112 95 H LEU 13 H LEU 13 -0.276 -8.251 -5.238 96 HA LEU 13 HA LEU 13 -1.670 -6.028 -4.177 97 HB2 LEU 13 2HB LEU 13 -0.483 -6.250 -6.491 98 HB3 LEU 13 1HB LEU 13 -1.983 -6.979 -7.046 99 HG LEU 13 HG LEU 13 -3.205 -4.877 -6.387 100 HD11 LEU 13 1HD1 LEU 13 -1.718 -4.078 -4.626 101 HD12 LEU 13 2HD1 LEU 13 -1.928 -2.842 -5.861 102 HD13 LEU 13 3HD1 LEU 13 -0.434 -3.781 -5.804 103 HD21 LEU 13 1HD2 LEU 13 -2.435 -3.482 -8.244 104 HD22 LEU 13 2HD2 LEU 13 -2.455 -5.178 -8.722 105 HD23 LEU 13 3HD2 LEU 13 -0.925 -4.390 -8.334 106 H GLU 14 H GLU 14 -2.608 -9.278 -4.894 107 HA GLU 14 HA GLU 14 -5.448 -8.934 -4.988 108 HB2 GLU 14 2HB GLU 14 -4.268 -11.016 -5.787 109 HB3 GLU 14 1HB GLU 14 -3.876 -11.413 -4.114 110 HG2 GLU 14 2HG GLU 14 -6.319 -11.471 -3.603 111 HG3 GLU 14 1HG GLU 14 -6.661 -11.183 -5.307 112 H GLU 15 H GLU 15 -3.077 -9.551 -2.434 113 HA GLU 15 HA GLU 15 -4.804 -9.859 -0.223 114 HB2 GLU 15 2HB GLU 15 -2.472 -10.545 -0.145 115 HB3 GLU 15 1HB GLU 15 -1.916 -8.902 -0.414 116 HG2 GLU 15 2HG GLU 15 -2.458 -8.242 1.791 117 HG3 GLU 15 1HG GLU 15 -3.503 -9.634 2.052 118 H ILE 16 H ILE 16 -3.588 -7.024 -1.889 119 HA ILE 16 HA ILE 16 -4.682 -5.153 0.066 120 HB ILE 16 HB ILE 16 -3.467 -4.530 -2.665 121 HG12 ILE 16 2HG1 ILE 16 -2.055 -4.602 0.048 122 HG13 ILE 16 1HG1 ILE 16 -1.826 -5.772 -1.246 123 HG21 ILE 16 1HG2 ILE 16 -4.832 -2.708 -1.714 124 HG22 ILE 16 2HG2 ILE 16 -3.125 -2.269 -1.737 125 HG23 ILE 16 3HG2 ILE 16 -3.883 -2.763 -0.224 126 HD11 ILE 16 1HD1 ILE 16 -0.001 -4.206 -1.179 127 HD12 ILE 16 2HD1 ILE 16 -1.110 -2.846 -1.355 128 HD13 ILE 16 3HD1 ILE 16 -0.913 -4.006 -2.674 129 H GLN 17 H GLN 17 -5.528 -6.553 -3.091 130 HA GLN 17 HA GLN 17 -7.540 -4.699 -3.884 131 HB2 GLN 17 2HB GLN 17 -6.622 -6.158 -5.578 132 HB3 GLN 17 1HB GLN 17 -7.028 -7.607 -4.663 133 HG2 GLN 17 2HG GLN 17 -9.437 -7.169 -5.043 134 HG3 GLN 17 1HG GLN 17 -9.028 -5.717 -5.957 135 HE21 GLN 17 1HE2 GLN 17 -8.258 -5.931 -8.054 136 HE22 GLN 17 2HE2 GLN 17 -8.269 -7.427 -8.919 137 H LYS 18 H LYS 18 -7.690 -7.767 -2.088 138 HA LYS 18 HA LYS 18 -10.573 -7.908 -2.073 139 HB2 LYS 18 2HB LYS 18 -8.439 -9.604 -0.720 140 HB3 LYS 18 1HB LYS 18 -10.163 -9.956 -0.629 141 HG2 LYS 18 2HG LYS 18 -10.201 -10.110 -3.143 142 HG3 LYS 18 1HG LYS 18 -8.444 -9.939 -3.131 143 HD2 LYS 18 2HD LYS 18 -8.181 -12.035 -1.932 144 HD3 LYS 18 1HD LYS 18 -9.924 -12.165 -1.676 145 HE2 LYS 18 2HE LYS 18 -10.296 -12.488 -4.066 146 HE3 LYS 18 1HE LYS 18 -8.585 -12.215 -4.403 147 HZ1 LYS 18 1HZ LYS 18 -8.088 -14.194 -3.053 148 HZ2 LYS 18 2HZ LYS 18 -9.027 -14.543 -4.412 149 HZ3 LYS 18 3HZ LYS 18 -9.747 -14.479 -2.883 150 H HIS 19 H HIS 19 -9.003 -5.714 -0.550 151 HA HIS 19 HA HIS 19 -9.893 -5.956 2.172 152 HB2 HIS 19 2HB HIS 19 -8.858 -3.831 2.497 153 HB3 HIS 19 1HB HIS 19 -7.820 -4.699 1.375 154 HD1 HIS 19 HD1 HIS 19 -9.122 -4.020 -1.304 155 HD2 HIS 19 HD2 HIS 19 -8.544 -1.234 1.717 156 HE1 HIS 19 HE1 HIS 19 -9.196 -1.795 -2.438 157 HE2 HIS 19 HE2 HIS 19 -8.633 -0.161 -0.622 158 H LYS 20 H LYS 20 -11.765 -5.201 3.024 159 HA LYS 20 HA LYS 20 -13.368 -3.163 1.591 160 HB2 LYS 20 2HB LYS 20 -14.548 -5.557 3.093 161 HB3 LYS 20 1HB LYS 20 -15.471 -4.238 2.393 162 HG2 LYS 20 2HG LYS 20 -15.781 -5.863 0.779 163 HG3 LYS 20 1HG LYS 20 -14.353 -5.057 0.122 164 HD2 LYS 20 2HD LYS 20 -12.912 -6.809 1.134 165 HD3 LYS 20 1HD LYS 20 -14.347 -7.609 1.786 166 HE2 LYS 20 2HE LYS 20 -15.172 -8.021 -0.499 167 HE3 LYS 20 1HE LYS 20 -13.767 -7.181 -1.166 168 HZ1 LYS 20 1HZ LYS 20 -13.372 -9.510 -1.249 169 HZ2 LYS 20 2HZ LYS 20 -13.762 -9.716 0.374 170 HZ3 LYS 20 3HZ LYS 20 -12.359 -8.875 -0.055 171 H ASP 21 H ASP 21 -11.376 -3.451 4.030 172 HA ASP 21 HA ASP 21 -13.038 -2.061 6.060 173 HB2 ASP 21 2HB ASP 21 -12.432 -4.599 6.502 174 HB3 ASP 21 1HB ASP 21 -10.811 -4.004 6.830 175 H SER 22 H SER 22 -11.588 -0.944 7.710 176 HA SER 22 HA SER 22 -9.695 0.794 6.462 177 HB2 SER 22 2HB SER 22 -10.220 0.447 9.444 178 HB3 SER 22 1HB SER 22 -9.599 1.884 8.624 179 HG SER 22 HG SER 22 -11.568 2.336 7.889 180 H LYS 23 H LYS 23 -9.512 -2.015 8.604 181 HA LYS 23 HA LYS 23 -6.798 -1.772 9.401 182 HB2 LYS 23 2HB LYS 23 -6.998 -4.070 10.293 183 HB3 LYS 23 1HB LYS 23 -8.359 -3.070 10.753 184 HG2 LYS 23 2HG LYS 23 -9.464 -5.034 10.254 185 HG3 LYS 23 1HG LYS 23 -9.544 -4.235 8.688 186 HD2 LYS 23 2HD LYS 23 -8.953 -6.600 8.415 187 HD3 LYS 23 1HD LYS 23 -7.608 -5.579 7.905 188 HE2 LYS 23 2HE LYS 23 -6.497 -5.992 10.091 189 HE3 LYS 23 1HE LYS 23 -7.842 -7.029 10.569 190 HZ1 LYS 23 1HZ LYS 23 -6.038 -7.511 8.262 191 HZ2 LYS 23 2HZ LYS 23 -7.305 -8.514 8.751 192 HZ3 LYS 23 3HZ LYS 23 -5.962 -8.309 9.749 193 H SER 24 H SER 24 -8.345 -3.293 6.695 194 HA SER 24 HA SER 24 -5.767 -4.193 5.581 195 HB2 SER 24 2HB SER 24 -7.654 -5.858 5.690 196 HB3 SER 24 1HB SER 24 -8.627 -4.807 4.660 197 HG SER 24 HG SER 24 -6.839 -6.639 3.937 198 H THR 25 H THR 25 -4.973 -2.186 4.952 199 HA THR 25 HA THR 25 -5.891 -1.213 2.393 200 HB THR 25 HB THR 25 -5.819 0.761 4.743 201 HG1 THR 25 HG1 THR 25 -7.809 -0.350 4.622 202 HG21 THR 25 1HG2 THR 25 -6.339 1.293 1.787 203 HG22 THR 25 2HG2 THR 25 -4.902 1.793 2.685 204 HG23 THR 25 3HG2 THR 25 -6.476 2.473 3.089 205 H TRP 26 H TRP 26 -4.043 -1.052 1.250 206 HA TRP 26 HA TRP 26 -1.605 0.111 2.389 207 HB2 TRP 26 2HB TRP 26 -1.651 -2.637 1.030 208 HB3 TRP 26 1HB TRP 26 -0.196 -1.755 1.495 209 HD1 TRP 26 HD TRP 26 0.277 -1.550 4.211 210 HE1 TRP 26 HE1 TRP 26 -0.473 -3.028 6.169 211 HE3 TRP 26 HE3 TRP 26 -3.418 -4.162 1.855 212 HZ2 TRP 26 HZ2 TRP 26 -2.367 -5.065 6.651 213 HZ3 TRP 26 HZ3 TRP 26 -4.645 -5.872 3.124 214 HH2 TRP 26 HH TRP 26 -4.132 -6.316 5.476 215 H VAL 27 H VAL 27 -0.039 0.660 0.619 216 HA VAL 27 HA VAL 27 -1.209 0.761 -2.095 217 HB VAL 27 HB VAL 27 -0.324 3.093 -2.414 218 HG11 VAL 27 1HG1 VAL 27 -2.170 4.288 -1.283 219 HG12 VAL 27 2HG1 VAL 27 -2.477 2.872 -0.273 220 HG13 VAL 27 3HG1 VAL 27 -2.723 2.780 -2.018 221 HG21 VAL 27 1HG2 VAL 27 0.229 4.486 -0.443 222 HG22 VAL 27 2HG2 VAL 27 1.335 3.121 -0.605 223 HG23 VAL 27 3HG2 VAL 27 0.052 3.072 0.606 224 H ILE 28 H ILE 28 0.363 0.964 -3.767 225 HA ILE 28 HA ILE 28 3.123 0.202 -3.002 226 HB ILE 28 HB ILE 28 3.198 -1.346 -4.914 227 HG12 ILE 28 2HG1 ILE 28 0.695 -1.966 -5.850 228 HG13 ILE 28 1HG1 ILE 28 0.449 -0.252 -5.567 229 HG21 ILE 28 1HG2 ILE 28 1.615 -3.063 -4.022 230 HG22 ILE 28 2HG2 ILE 28 0.857 -1.816 -3.036 231 HG23 ILE 28 3HG2 ILE 28 2.549 -2.251 -2.770 232 HD11 ILE 28 1HD1 ILE 28 2.555 -1.462 -7.359 233 HD12 ILE 28 2HD1 ILE 28 2.264 0.265 -7.133 234 HD13 ILE 28 3HD1 ILE 28 1.030 -0.750 -7.881 235 H LEU 29 H LEU 29 4.738 1.366 -4.022 236 HA LEU 29 HA LEU 29 3.912 3.524 -5.811 237 HB2 LEU 29 2HB LEU 29 5.924 4.548 -5.409 238 HB3 LEU 29 1HB LEU 29 5.791 3.601 -3.945 239 HG LEU 29 HG LEU 29 7.535 2.879 -6.345 240 HD11 LEU 29 1HD1 LEU 29 8.340 4.031 -3.649 241 HD12 LEU 29 2HD1 LEU 29 8.361 4.886 -5.195 242 HD13 LEU 29 3HD1 LEU 29 9.441 3.520 -4.933 243 HD21 LEU 29 1HD2 LEU 29 6.833 0.867 -5.130 244 HD22 LEU 29 2HD2 LEU 29 7.384 1.569 -3.607 245 HD23 LEU 29 3HD2 LEU 29 8.550 1.183 -4.876 246 H HIS 30 H HIS 30 5.219 0.360 -5.999 247 HA HIS 30 HA HIS 30 4.633 -0.085 -8.668 248 HB2 HIS 30 2HB HIS 30 6.639 1.448 -9.053 249 HB3 HIS 30 1HB HIS 30 7.659 0.237 -8.284 250 HD1 HIS 30 HD1 HIS 30 8.848 -1.117 -10.010 251 HD2 HIS 30 HD2 HIS 30 5.084 0.064 -11.323 252 HE1 HIS 30 HE1 HIS 30 8.636 -2.002 -12.350 253 HE2 HIS 30 HE2 HIS 30 6.474 -1.040 -13.196 254 H HIS 31 H HIS 31 7.557 -1.076 -6.804 255 HA HIS 31 HA HIS 31 6.510 -3.864 -6.714 256 HB2 HIS 31 2HB HIS 31 8.527 -3.654 -8.097 257 HB3 HIS 31 1HB HIS 31 9.391 -2.842 -6.796 258 HD1 HIS 31 HD1 HIS 31 10.783 -4.325 -5.335 259 HD2 HIS 31 HD2 HIS 31 7.858 -6.456 -7.369 260 HE1 HIS 31 HE1 HIS 31 11.171 -6.735 -4.746 261 HE2 HIS 31 HE2 HIS 31 9.233 -7.946 -5.777 262 H LYS 32 H LYS 32 7.189 -1.187 -4.706 263 HA LYS 32 HA LYS 32 7.623 -2.911 -2.314 264 HB2 LYS 32 2HB LYS 32 9.341 -1.055 -2.959 265 HB3 LYS 32 1HB LYS 32 8.108 0.091 -2.480 266 HG2 LYS 32 2HG LYS 32 9.638 -0.115 -0.663 267 HG3 LYS 32 1HG LYS 32 8.142 -0.914 -0.174 268 HD2 LYS 32 2HD LYS 32 10.114 -2.211 0.518 269 HD3 LYS 32 1HD LYS 32 9.150 -3.112 -0.646 270 HE2 LYS 32 2HE LYS 32 10.746 -2.566 -2.420 271 HE3 LYS 32 1HE LYS 32 11.687 -1.576 -1.303 272 HZ1 LYS 32 1HZ LYS 32 11.279 -4.519 -1.142 273 HZ2 LYS 32 2HZ LYS 32 12.072 -3.597 0.029 274 HZ3 LYS 32 3HZ LYS 32 12.712 -3.711 -1.527 275 H VAL 33 H VAL 33 6.041 -2.961 -0.781 276 HA VAL 33 HA VAL 33 3.638 -1.297 -1.148 277 HB VAL 33 HB VAL 33 3.311 -3.731 -1.136 278 HG11 VAL 33 1HG1 VAL 33 4.344 -3.714 1.713 279 HG12 VAL 33 2HG1 VAL 33 5.165 -4.397 0.310 280 HG13 VAL 33 3HG1 VAL 33 3.649 -5.095 0.862 281 HG21 VAL 33 1HG2 VAL 33 2.069 -2.412 1.307 282 HG22 VAL 33 2HG2 VAL 33 1.482 -3.882 0.524 283 HG23 VAL 33 3HG2 VAL 33 1.451 -2.348 -0.347 284 H TYR 34 H TYR 34 2.683 -0.215 0.573 285 HA TYR 34 HA TYR 34 4.382 0.430 2.895 286 HB2 TYR 34 2HB TYR 34 2.890 2.435 1.134 287 HB3 TYR 34 1HB TYR 34 3.830 2.827 2.575 288 HD1 TYR 34 HD1 TYR 34 6.352 2.470 2.554 289 HD2 TYR 34 HD2 TYR 34 3.983 2.139 -1.007 290 HE1 TYR 34 HE1 TYR 34 8.381 2.642 1.169 291 HE2 TYR 34 HE2 TYR 34 6.014 2.335 -2.374 292 HH TYR 34 HH TYR 34 9.143 2.037 -1.075 293 H ASP 35 H ASP 35 3.204 1.257 4.681 294 HA ASP 35 HA ASP 35 0.741 -0.243 5.020 295 HB2 ASP 35 2HB ASP 35 2.661 -0.452 6.646 296 HB3 ASP 35 1HB ASP 35 2.408 1.232 7.109 297 H LEU 36 H LEU 36 -1.011 0.827 4.355 298 HA LEU 36 HA LEU 36 -1.202 3.734 4.735 299 HB2 LEU 36 2HB LEU 36 -1.639 2.224 2.488 300 HB3 LEU 36 1HB LEU 36 -3.272 2.306 3.109 301 HG LEU 36 HG LEU 36 -2.827 4.042 1.401 302 HD11 LEU 36 1HD1 LEU 36 -3.686 5.988 2.551 303 HD12 LEU 36 2HD1 LEU 36 -3.241 5.300 4.117 304 HD13 LEU 36 3HD1 LEU 36 -4.485 4.530 3.132 305 HD21 LEU 36 1HD2 LEU 36 -0.793 5.212 3.325 306 HD22 LEU 36 2HD2 LEU 36 -1.288 5.887 1.771 307 HD23 LEU 36 3HD2 LEU 36 -0.416 4.362 1.830 308 H THR 37 H THR 37 -2.353 0.824 6.105 309 HA THR 37 HA THR 37 -4.898 1.645 7.030 310 HB THR 37 HB THR 37 -4.444 -0.710 7.022 311 HG1 THR 37 HG1 THR 37 -5.778 0.151 8.783 312 HG21 THR 37 1HG2 THR 37 -2.832 -1.798 8.520 313 HG22 THR 37 2HG2 THR 37 -2.275 -0.219 9.081 314 HG23 THR 37 3HG2 THR 37 -2.017 -0.698 7.402 315 H LYS 38 H LYS 38 -1.643 2.062 8.455 316 HA LYS 38 HA LYS 38 -2.580 3.523 10.766 317 HB2 LYS 38 2HB LYS 38 0.108 3.269 9.369 318 HB3 LYS 38 1HB LYS 38 -0.103 4.447 10.651 319 HG2 LYS 38 2HG LYS 38 -0.845 1.598 11.253 320 HG3 LYS 38 1HG LYS 38 0.863 1.996 11.104 321 HD2 LYS 38 2HD LYS 38 0.211 2.118 13.442 322 HD3 LYS 38 1HD LYS 38 0.606 3.736 12.863 323 HE2 LYS 38 2HE LYS 38 -1.372 3.850 14.270 324 HE3 LYS 38 1HE LYS 38 -1.844 4.184 12.595 325 HZ1 LYS 38 1HZ LYS 38 -2.183 1.601 14.038 326 HZ2 LYS 38 2HZ LYS 38 -2.571 1.866 12.415 327 HZ3 LYS 38 3HZ LYS 38 -3.406 2.695 13.621 328 H PHE 39 H PHE 39 -1.464 4.324 7.550 329 HA PHE 39 HA PHE 39 -0.985 7.063 7.794 330 HB2 PHE 39 2HB PHE 39 -0.374 5.224 5.969 331 HB3 PHE 39 1HB PHE 39 -1.826 5.790 5.179 332 HD1 PHE 39 HD1 PHE 39 -1.866 8.060 4.119 333 HD2 PHE 39 HD2 PHE 39 1.647 6.558 6.045 334 HE1 PHE 39 HE1 PHE 39 -0.484 9.738 2.953 335 HE2 PHE 39 HE2 PHE 39 3.004 8.241 4.886 336 HZ PHE 39 HZ PHE 39 1.945 9.823 3.325 337 H LEU 40 H LEU 40 -3.979 5.328 7.031 338 HA LEU 40 HA LEU 40 -5.448 7.641 6.155 339 HB2 LEU 40 2HB LEU 40 -7.422 6.179 6.123 340 HB3 LEU 40 1HB LEU 40 -6.062 5.460 5.295 341 HG LEU 40 HG LEU 40 -5.746 4.189 7.656 342 HD11 LEU 40 1HD1 LEU 40 -7.592 5.304 8.814 343 HD12 LEU 40 2HD1 LEU 40 -7.858 3.569 8.698 344 HD13 LEU 40 3HD1 LEU 40 -8.742 4.667 7.631 345 HD21 LEU 40 1HD2 LEU 40 -7.761 3.312 5.561 346 HD22 LEU 40 2HD2 LEU 40 -6.995 2.268 6.764 347 HD23 LEU 40 3HD2 LEU 40 -6.016 3.044 5.523 348 H GLU 41 H GLU 41 -4.835 6.120 9.222 349 HA GLU 41 HA GLU 41 -6.966 7.424 10.685 350 HB2 GLU 41 2HB GLU 41 -4.500 5.910 11.646 351 HB3 GLU 41 1HB GLU 41 -5.787 6.492 12.698 352 HG2 GLU 41 2HG GLU 41 -7.398 5.021 11.502 353 HG3 GLU 41 1HG GLU 41 -6.076 4.406 10.514 354 H GLU 42 H GLU 42 -3.729 8.241 9.765 355 HA GLU 42 HA GLU 42 -2.984 9.842 11.968 356 HB2 GLU 42 2HB GLU 42 -1.966 9.914 9.104 357 HB3 GLU 42 1HB GLU 42 -1.172 10.662 10.479 358 HG2 GLU 42 2HG GLU 42 -1.554 7.713 9.957 359 HG3 GLU 42 1HG GLU 42 -0.041 8.610 9.974 360 H TRP 43 H TRP 43 -3.626 11.062 8.646 361 HA TRP 43 HA TRP 43 -4.390 13.664 9.824 362 HB2 TRP 43 2HB TRP 43 -3.357 13.020 7.038 363 HB3 TRP 43 1HB TRP 43 -3.973 14.594 7.501 364 HD1 TRP 43 HD TRP 43 -1.460 12.489 9.605 365 HE1 TRP 43 HE1 TRP 43 0.744 13.803 9.748 366 HE3 TRP 43 HE3 TRP 43 -2.658 16.421 6.554 367 HZ2 TRP 43 HZ2 TRP 43 1.839 16.198 8.705 368 HZ3 TRP 43 HZ3 TRP 43 -0.981 18.177 6.176 369 HH2 TRP 43 HH TRP 43 1.227 18.074 7.227 370 HA PRO 44 HA PRO 44 -7.816 13.233 6.446 371 HB2 PRO 44 2HB PRO 44 -8.352 10.806 5.245 372 HB3 PRO 44 1HB PRO 44 -7.211 11.993 4.590 373 HG2 PRO 44 2HG PRO 44 -6.641 9.522 6.181 374 HG3 PRO 44 1HG PRO 44 -5.784 10.169 4.765 375 HD2 PRO 44 2HD PRO 44 -4.860 10.494 7.305 376 HD3 PRO 44 1HD PRO 44 -4.570 11.693 6.025 377 H GLY 45 H GLY 45 -7.417 10.300 8.422 378 HA2 GLY 45 2HA GLY 45 -8.678 9.403 10.115 379 HA3 GLY 45 1HA GLY 45 -9.690 10.836 10.076 380 H GLY 46 H GLY 46 -9.367 9.151 7.086 381 HA2 GLY 46 2HA GLY 46 -11.823 7.569 7.421 382 HA3 GLY 46 1HA GLY 46 -11.804 8.849 6.211 383 H GLU 47 H GLU 47 -11.654 5.662 6.349 384 HA GLU 47 HA GLU 47 -9.296 5.124 4.769 385 HB2 GLU 47 2HB GLU 47 -9.880 2.825 4.832 386 HB3 GLU 47 1HB GLU 47 -10.304 3.464 6.405 387 HG2 GLU 47 2HG GLU 47 -12.239 2.794 4.167 388 HG3 GLU 47 1HG GLU 47 -11.955 1.841 5.621 389 H GLU 48 H GLU 48 -12.695 5.700 4.139 390 HA GLU 48 HA GLU 48 -13.146 4.383 1.768 391 HB2 GLU 48 2HB GLU 48 -14.971 6.080 1.378 392 HB3 GLU 48 1HB GLU 48 -14.969 5.344 2.978 393 HG2 GLU 48 2HG GLU 48 -13.853 7.343 3.905 394 HG3 GLU 48 1HG GLU 48 -13.865 8.087 2.309 395 H VAL 49 H VAL 49 -11.696 7.619 2.087 396 HA VAL 49 HA VAL 49 -11.819 8.424 -0.616 397 HB VAL 49 HB VAL 49 -11.454 10.058 1.131 398 HG11 VAL 49 1HG1 VAL 49 -10.204 8.670 2.739 399 HG12 VAL 49 2HG1 VAL 49 -9.404 10.220 2.471 400 HG13 VAL 49 3HG1 VAL 49 -8.768 8.757 1.713 401 HG21 VAL 49 1HG2 VAL 49 -8.966 9.942 -0.616 402 HG22 VAL 49 2HG2 VAL 49 -9.577 11.373 0.219 403 HG23 VAL 49 3HG2 VAL 49 -10.521 10.638 -1.079 404 H LEU 50 H LEU 50 -9.470 6.468 1.098 405 HA LEU 50 HA LEU 50 -7.696 6.308 -1.270 406 HB2 LEU 50 2HB LEU 50 -5.963 5.597 0.550 407 HB3 LEU 50 1HB LEU 50 -6.403 7.283 0.387 408 HG LEU 50 HG LEU 50 -8.131 6.774 2.311 409 HD11 LEU 50 1HD1 LEU 50 -7.444 5.068 3.894 410 HD12 LEU 50 2HD1 LEU 50 -6.168 4.534 2.800 411 HD13 LEU 50 3HD1 LEU 50 -7.861 4.358 2.337 412 HD21 LEU 50 1HD2 LEU 50 -6.266 8.341 2.544 413 HD22 LEU 50 2HD2 LEU 50 -5.169 7.012 2.917 414 HD23 LEU 50 3HD2 LEU 50 -6.488 7.401 4.020 415 H ARG 51 H ARG 51 -9.918 4.570 0.557 416 HA ARG 51 HA ARG 51 -8.903 1.896 0.369 417 HB2 ARG 51 2HB ARG 51 -10.816 2.787 1.897 418 HB3 ARG 51 1HB ARG 51 -11.862 2.702 0.499 419 HG2 ARG 51 2HG ARG 51 -10.439 0.174 1.293 420 HG3 ARG 51 1HG ARG 51 -11.704 0.748 2.368 421 HD2 ARG 51 2HD ARG 51 -12.735 -0.816 0.918 422 HD3 ARG 51 1HD ARG 51 -13.257 0.773 0.357 423 HE ARG 51 HE ARG 51 -10.993 -0.024 -1.076 424 HH11 ARG 51 1HH1 ARG 51 -14.370 -0.962 -0.804 425 HH12 ARG 51 2HH1 ARG 51 -14.452 -1.543 -2.437 426 HH21 ARG 51 1HH2 ARG 51 -11.156 -0.681 -3.257 427 HH22 ARG 51 2HH2 ARG 51 -12.643 -1.383 -3.805 428 H GLU 52 H GLU 52 -11.020 3.929 -1.587 429 HA GLU 52 HA GLU 52 -11.842 2.094 -3.556 430 HB2 GLU 52 2HB GLU 52 -12.486 4.112 -4.852 431 HB3 GLU 52 1HB GLU 52 -12.959 4.236 -3.161 432 HG2 GLU 52 2HG GLU 52 -10.922 5.650 -2.741 433 HG3 GLU 52 1HG GLU 52 -10.590 5.605 -4.474 434 H GLN 53 H GLN 53 -8.737 3.527 -3.133 435 HA GLN 53 HA GLN 53 -7.771 2.222 -5.569 436 HB2 GLN 53 2HB GLN 53 -6.351 4.267 -6.086 437 HB3 GLN 53 1HB GLN 53 -8.069 4.435 -6.410 438 HG2 GLN 53 2HG GLN 53 -8.389 5.813 -4.465 439 HG3 GLN 53 1HG GLN 53 -6.761 5.472 -3.880 440 HE21 GLN 53 1HE2 GLN 53 -5.359 5.769 -6.284 441 HE22 GLN 53 2HE2 GLN 53 -5.378 7.438 -6.698 442 H ALA 54 H ALA 54 -7.582 1.497 -2.803 443 HA ALA 54 HA ALA 54 -4.851 1.892 -1.947 444 HB1 ALA 54 1HB ALA 54 -6.609 1.363 -0.298 445 HB2 ALA 54 2HB ALA 54 -5.324 0.153 -0.267 446 HB3 ALA 54 3HB ALA 54 -6.860 -0.209 -1.059 447 H GLY 55 H GLY 55 -3.129 0.872 -2.739 448 HA2 GLY 55 2HA GLY 55 -1.870 -0.862 -3.697 449 HA3 GLY 55 1HA GLY 55 -3.348 -1.659 -4.219 450 H GLY 56 H GLY 56 -4.052 1.353 -5.064 451 HA2 GLY 56 2HA GLY 56 -3.600 1.001 -7.843 452 HA3 GLY 56 1HA GLY 56 -4.199 2.454 -7.061 453 H ASP 57 H ASP 57 -2.238 3.379 -5.550 454 HA ASP 57 HA ASP 57 0.378 3.254 -6.682 455 HB2 ASP 57 2HB ASP 57 -0.640 4.696 -8.423 456 HB3 ASP 57 1HB ASP 57 -1.216 5.816 -7.194 457 H ALA 58 H ALA 58 1.890 4.498 -5.539 458 HA ALA 58 HA ALA 58 1.051 5.787 -3.025 459 HB1 ALA 58 1HB ALA 58 3.560 4.102 -3.432 460 HB2 ALA 58 2HB ALA 58 2.145 3.623 -2.498 461 HB3 ALA 58 3HB ALA 58 3.123 4.991 -1.968 462 H THR 59 H THR 59 3.400 5.491 -5.680 463 HA THR 59 HA THR 59 5.471 7.080 -5.125 464 HB THR 59 HB THR 59 4.146 7.229 -7.871 465 HG1 THR 59 HG1 THR 59 4.232 5.118 -7.715 466 HG21 THR 59 1HG2 THR 59 6.464 7.247 -8.708 467 HG22 THR 59 2HG2 THR 59 7.081 7.157 -7.057 468 HG23 THR 59 3HG2 THR 59 6.211 8.595 -7.597 469 H GLU 60 H GLU 60 2.477 8.314 -6.530 470 HA GLU 60 HA GLU 60 3.160 11.109 -5.811 471 HB2 GLU 60 2HB GLU 60 1.255 10.083 -7.965 472 HB3 GLU 60 1HB GLU 60 1.700 11.764 -7.684 473 HG2 GLU 60 2HG GLU 60 3.984 11.344 -8.411 474 HG3 GLU 60 1HG GLU 60 3.666 9.613 -8.524 475 H ASN 61 H ASN 61 0.975 8.428 -5.422 476 HA ASN 61 HA ASN 61 -1.386 10.032 -4.957 477 HB2 ASN 61 2HB ASN 61 -1.281 7.784 -6.185 478 HB3 ASN 61 1HB ASN 61 -1.131 7.025 -4.603 479 HD21 ASN 61 1HD2 ASN 61 -3.002 6.457 -3.654 480 HD22 ASN 61 2HD2 ASN 61 -4.571 7.037 -4.090 481 H PHE 62 H PHE 62 1.141 8.944 -2.924 482 HA PHE 62 HA PHE 62 -0.300 8.673 -0.477 483 HB2 PHE 62 2HB PHE 62 1.936 8.965 0.663 484 HB3 PHE 62 1HB PHE 62 1.860 7.666 -0.510 485 HD1 PHE 62 HD1 PHE 62 4.023 7.339 -1.316 486 HD2 PHE 62 HD2 PHE 62 2.636 11.357 -0.954 487 HE1 PHE 62 HE1 PHE 62 6.115 8.157 -2.329 488 HE2 PHE 62 HE2 PHE 62 4.720 12.163 -1.969 489 HZ PHE 62 HZ PHE 62 6.462 10.568 -2.651 490 H GLU 63 H GLU 63 0.687 11.403 -2.310 491 HA GLU 63 HA GLU 63 0.026 13.311 -0.166 492 HB2 GLU 63 2HB GLU 63 1.114 13.652 -2.989 493 HB3 GLU 63 1HB GLU 63 0.558 15.025 -2.034 494 HG2 GLU 63 2HG GLU 63 2.251 14.583 -0.338 495 HG3 GLU 63 1HG GLU 63 2.766 13.130 -1.183 496 H ASP 64 H ASP 64 -1.240 11.956 -3.144 497 HA ASP 64 HA ASP 64 -3.281 13.808 -3.697 498 HB2 ASP 64 2HB ASP 64 -2.436 12.016 -5.259 499 HB3 ASP 64 1HB ASP 64 -3.276 10.809 -4.299 500 H VAL 65 H VAL 65 -3.612 10.572 -2.208 501 HA VAL 65 HA VAL 65 -6.163 11.322 -0.932 502 HB VAL 65 HB VAL 65 -6.445 8.884 -0.545 503 HG11 VAL 65 1HG1 VAL 65 -7.287 9.890 -2.617 504 HG12 VAL 65 2HG1 VAL 65 -6.758 8.232 -2.893 505 HG13 VAL 65 3HG1 VAL 65 -5.741 9.579 -3.416 506 HG21 VAL 65 1HG2 VAL 65 -3.793 8.545 -2.023 507 HG22 VAL 65 2HG2 VAL 65 -4.872 7.239 -1.520 508 HG23 VAL 65 3HG2 VAL 65 -4.061 8.230 -0.307 509 H GLY 66 H GLY 66 -2.909 11.125 -0.098 510 HA2 GLY 66 2HA GLY 66 -3.304 10.088 2.631 511 HA3 GLY 66 1HA GLY 66 -1.780 10.384 1.825 512 H PHE 67 H PHE 67 -0.664 12.193 2.345 513 HA PHE 67 HA PHE 67 -1.972 14.213 4.094 514 HB2 PHE 67 2HB PHE 67 1.018 13.591 3.923 515 HB3 PHE 67 1HB PHE 67 0.220 14.618 5.110 516 HD1 PHE 67 HD1 PHE 67 2.146 12.579 5.919 517 HD2 PHE 67 HD2 PHE 67 -2.068 12.195 5.291 518 HE1 PHE 67 HE1 PHE 67 2.069 10.672 7.476 519 HE2 PHE 67 HE2 PHE 67 -2.121 10.299 6.842 520 HZ PHE 67 HZ PHE 67 -0.053 9.534 7.930 521 H SER 68 H SER 68 -0.224 16.293 3.971 522 HA SER 68 HA SER 68 -0.259 17.351 1.290 523 HB2 SER 68 2HB SER 68 1.097 19.230 2.475 524 HB3 SER 68 1HB SER 68 -0.544 18.945 3.047 525 HG SER 68 HG SER 68 1.852 17.997 4.233 526 H THR 69 H THR 69 2.356 18.621 1.208 527 HA THR 69 HA THR 69 3.782 16.789 -0.294 528 HB THR 69 HB THR 69 5.765 18.410 -0.036 529 HG1 THR 69 HG1 THR 69 5.557 19.510 1.780 530 HG21 THR 69 1HG2 THR 69 4.134 18.671 -1.883 531 HG22 THR 69 2HG2 THR 69 4.705 20.233 -1.295 532 HG23 THR 69 3HG2 THR 69 3.106 19.650 -0.834 533 H ASP 70 H ASP 70 3.847 17.134 3.145 534 HA ASP 70 HA ASP 70 6.360 16.161 3.876 535 HB2 ASP 70 2HB ASP 70 3.714 15.712 5.342 536 HB3 ASP 70 1HB ASP 70 5.322 15.621 6.056 537 H ALA 71 H ALA 71 3.556 14.463 2.676 538 HA ALA 71 HA ALA 71 3.953 11.872 3.702 539 HB1 ALA 71 1HB ALA 71 2.613 12.690 1.105 540 HB2 ALA 71 2HB ALA 71 1.846 12.625 2.690 541 HB3 ALA 71 3HB ALA 71 2.412 11.137 1.934 542 H ARG 72 H ARG 72 5.741 13.543 1.288 543 HA ARG 72 HA ARG 72 6.824 11.585 -0.323 544 HB2 ARG 72 2HB ARG 72 8.789 13.059 -0.565 545 HB3 ARG 72 1HB ARG 72 7.293 13.985 -0.598 546 HG2 ARG 72 2HG ARG 72 7.692 14.549 1.840 547 HG3 ARG 72 1HG ARG 72 9.280 13.798 1.686 548 HD2 ARG 72 2HD ARG 72 8.282 16.174 0.082 549 HD3 ARG 72 1HD ARG 72 9.389 16.245 1.454 550 HE ARG 72 HE ARG 72 10.958 14.893 0.060 551 HH11 ARG 72 1HH1 ARG 72 8.556 16.937 -1.522 552 HH12 ARG 72 2HH1 ARG 72 9.505 17.129 -2.961 553 HH21 ARG 72 1HH2 ARG 72 12.184 15.169 -1.800 554 HH22 ARG 72 2HH2 ARG 72 11.580 16.118 -3.119 555 H GLU 73 H GLU 73 7.803 12.446 2.998 556 HA GLU 73 HA GLU 73 9.827 10.333 3.072 557 HB2 GLU 73 2HB GLU 73 10.436 11.255 5.295 558 HB3 GLU 73 1HB GLU 73 10.519 12.465 4.025 559 HG2 GLU 73 2HG GLU 73 8.974 13.800 5.018 560 HG3 GLU 73 1HG GLU 73 7.918 12.458 5.421 561 H LEU 74 H LEU 74 6.708 11.211 4.542 562 HA LEU 74 HA LEU 74 6.622 9.337 6.599 563 HB2 LEU 74 2HB LEU 74 4.451 10.794 5.098 564 HB3 LEU 74 1HB LEU 74 3.985 9.492 6.172 565 HG LEU 74 HG LEU 74 3.722 11.475 7.432 566 HD11 LEU 74 1HD1 LEU 74 5.243 11.273 9.308 567 HD12 LEU 74 2HD1 LEU 74 6.376 10.331 8.336 568 HD13 LEU 74 3HD1 LEU 74 4.777 9.681 8.713 569 HD21 LEU 74 1HD2 LEU 74 6.485 12.391 6.623 570 HD22 LEU 74 2HD2 LEU 74 5.394 13.228 7.730 571 HD23 LEU 74 3HD2 LEU 74 4.950 13.035 6.036 572 H SER 75 H SER 75 5.617 8.922 3.211 573 HA SER 75 HA SER 75 4.370 6.423 3.399 574 HB2 SER 75 2HB SER 75 4.914 6.237 0.950 575 HB3 SER 75 1HB SER 75 4.220 7.798 1.397 576 HG SER 75 HG SER 75 6.013 8.751 0.822 577 H LYS 76 H LYS 76 7.760 7.233 2.742 578 HA LYS 76 HA LYS 76 8.682 4.560 2.378 579 HB2 LYS 76 2HB LYS 76 10.295 7.081 2.996 580 HB3 LYS 76 1HB LYS 76 10.936 5.577 2.344 581 HG2 LYS 76 2HG LYS 76 8.955 7.401 0.946 582 HG3 LYS 76 1HG LYS 76 10.680 7.275 0.585 583 HD2 LYS 76 2HD LYS 76 10.441 5.028 -0.227 584 HD3 LYS 76 1HD LYS 76 8.793 4.901 0.398 585 HE2 LYS 76 2HE LYS 76 8.700 5.198 -1.989 586 HE3 LYS 76 1HE LYS 76 8.096 6.665 -1.221 587 HZ1 LYS 76 1HZ LYS 76 10.230 7.709 -1.622 588 HZ2 LYS 76 2HZ LYS 76 9.568 7.150 -3.071 589 HZ3 LYS 76 3HZ LYS 76 10.826 6.296 -2.333 590 H LYS 77 H LYS 77 8.328 6.652 5.133 591 HA LYS 77 HA LYS 77 9.863 5.092 7.014 592 HB2 LYS 77 2HB LYS 77 7.746 7.255 7.381 593 HB3 LYS 77 1HB LYS 77 8.649 6.538 8.714 594 HG2 LYS 77 2HG LYS 77 10.731 7.446 7.921 595 HG3 LYS 77 1HG LYS 77 10.003 7.929 6.387 596 HD2 LYS 77 2HD LYS 77 10.348 9.859 7.896 597 HD3 LYS 77 1HD LYS 77 8.646 9.619 7.504 598 HE2 LYS 77 2HE LYS 77 8.284 8.570 9.701 599 HE3 LYS 77 1HE LYS 77 9.996 8.768 10.088 600 HZ1 LYS 77 1HZ LYS 77 8.574 10.511 11.040 601 HZ2 LYS 77 2HZ LYS 77 8.146 11.008 9.479 602 HZ3 LYS 77 3HZ LYS 77 9.748 11.131 9.996 603 H TYR 78 H TYR 78 6.516 5.195 5.933 604 HA TYR 78 HA TYR 78 5.629 3.143 7.805 605 HB2 TYR 78 2HB TYR 78 4.219 4.650 5.564 606 HB3 TYR 78 1HB TYR 78 3.457 3.313 6.415 607 HD1 TYR 78 HD1 TYR 78 5.483 6.204 7.744 608 HD2 TYR 78 HD2 TYR 78 1.682 4.262 7.655 609 HE1 TYR 78 HE1 TYR 78 4.618 7.828 9.360 610 HE2 TYR 78 HE2 TYR 78 0.818 5.891 9.287 611 HH TYR 78 HH TYR 78 2.402 8.768 10.027 612 H ILE 79 H ILE 79 7.792 2.612 5.711 613 HA ILE 79 HA ILE 79 6.776 0.778 3.816 614 HB ILE 79 HB ILE 79 9.058 1.729 3.626 615 HG12 ILE 79 2HG1 ILE 79 9.087 -1.321 3.809 616 HG13 ILE 79 1HG1 ILE 79 8.546 -0.385 2.421 617 HG21 ILE 79 1HG2 ILE 79 10.944 0.947 4.997 618 HG22 ILE 79 2HG2 ILE 79 9.849 -0.037 5.969 619 HG23 ILE 79 3HG2 ILE 79 9.718 1.722 6.005 620 HD11 ILE 79 1HD1 ILE 79 11.368 -0.517 3.492 621 HD12 ILE 79 2HD1 ILE 79 10.839 0.464 2.122 622 HD13 ILE 79 3HD1 ILE 79 10.746 -1.294 2.038 623 H ILE 80 H ILE 80 6.052 -1.264 4.056 624 HA ILE 80 HA ILE 80 6.401 -2.605 6.685 625 HB ILE 80 HB ILE 80 4.085 -1.816 6.280 626 HG12 ILE 80 2HG1 ILE 80 4.228 -4.864 6.241 627 HG13 ILE 80 1HG1 ILE 80 4.596 -3.884 7.656 628 HG21 ILE 80 1HG2 ILE 80 2.651 -2.839 4.561 629 HG22 ILE 80 2HG2 ILE 80 4.033 -3.731 3.925 630 HG23 ILE 80 3HG2 ILE 80 4.003 -1.969 3.827 631 HD11 ILE 80 1HD1 ILE 80 2.374 -4.800 7.784 632 HD12 ILE 80 2HD1 ILE 80 1.935 -4.041 6.254 633 HD13 ILE 80 3HD1 ILE 80 2.304 -3.043 7.664 634 H GLY 81 H GLY 81 6.456 -2.947 3.190 635 HA2 GLY 81 2HA GLY 81 8.451 -4.913 3.265 636 HA3 GLY 81 1HA GLY 81 6.905 -5.730 3.037 637 H GLU 82 H GLU 82 7.658 -6.421 0.942 638 HA GLU 82 HA GLU 82 7.356 -4.289 -1.099 639 HB2 GLU 82 2HB GLU 82 8.863 -5.541 -2.602 640 HB3 GLU 82 1HB GLU 82 9.671 -5.005 -1.136 641 HG2 GLU 82 2HG GLU 82 9.425 -7.344 -0.231 642 HG3 GLU 82 1HG GLU 82 8.786 -7.825 -1.804 643 H LEU 83 H LEU 83 6.031 -4.653 -2.739 644 HA LEU 83 HA LEU 83 4.063 -6.737 -2.633 645 HB2 LEU 83 2HB LEU 83 3.977 -4.217 -3.520 646 HB3 LEU 83 1HB LEU 83 4.524 -4.924 -5.026 647 HG LEU 83 HG LEU 83 2.063 -4.516 -4.922 648 HD11 LEU 83 1HD1 LEU 83 2.688 -7.458 -5.225 649 HD12 LEU 83 2HD1 LEU 83 2.876 -6.222 -6.469 650 HD13 LEU 83 3HD1 LEU 83 1.272 -6.608 -5.854 651 HD21 LEU 83 1HD2 LEU 83 2.034 -6.667 -2.793 652 HD22 LEU 83 2HD2 LEU 83 0.616 -5.935 -3.550 653 HD23 LEU 83 3HD2 LEU 83 1.692 -4.951 -2.560 654 H HIS 84 H HIS 84 3.823 -8.468 -4.137 655 HA HIS 84 HA HIS 84 6.114 -9.685 -5.239 656 HB2 HIS 84 2HB HIS 84 3.138 -10.204 -5.559 657 HB3 HIS 84 1HB HIS 84 4.318 -11.160 -6.447 658 HD1 HIS 84 HD1 HIS 84 2.959 -13.024 -4.888 659 HD2 HIS 84 HD2 HIS 84 5.780 -10.606 -3.016 660 HE1 HIS 84 HE1 HIS 84 3.576 -14.227 -2.766 661 HE2 HIS 84 HE2 HIS 84 5.428 -12.851 -1.777 662 HA PRO 85 HA PRO 85 6.635 -7.250 -8.984 663 HB2 PRO 85 2HB PRO 85 8.109 -9.111 -10.456 664 HB3 PRO 85 1HB PRO 85 8.789 -8.064 -9.196 665 HG2 PRO 85 2HG PRO 85 7.903 -10.922 -8.984 666 HG3 PRO 85 1HG PRO 85 9.360 -10.141 -8.322 667 HD2 PRO 85 2HD PRO 85 7.239 -10.645 -6.755 668 HD3 PRO 85 1HD PRO 85 8.186 -9.158 -6.545 669 H ASP 86 H ASP 86 5.253 -10.486 -9.041 670 HA ASP 86 HA ASP 86 4.219 -10.417 -11.718 671 HB2 ASP 86 2HB ASP 86 4.560 -12.566 -10.625 672 HB3 ASP 86 1HB ASP 86 3.508 -12.121 -9.287 673 H ASP 87 H ASP 87 2.887 -9.758 -8.496 674 HA ASP 87 HA ASP 87 0.161 -9.770 -9.371 675 HB2 ASP 87 2HB ASP 87 1.528 -9.114 -6.747 676 HB3 ASP 87 1HB ASP 87 -0.188 -8.779 -6.950 677 H ARG 88 H ARG 88 2.493 -7.190 -8.673 678 HA ARG 88 HA ARG 88 0.632 -5.053 -8.750 679 HB2 ARG 88 2HB ARG 88 2.593 -3.573 -9.040 680 HB3 ARG 88 1HB ARG 88 2.817 -4.751 -7.760 681 HG2 ARG 88 2HG ARG 88 4.900 -4.838 -8.748 682 HG3 ARG 88 1HG ARG 88 4.090 -6.127 -9.631 683 HD2 ARG 88 2HD ARG 88 3.665 -4.547 -11.506 684 HD3 ARG 88 1HD ARG 88 4.506 -3.277 -10.614 685 HE ARG 88 HE ARG 88 6.280 -5.398 -10.822 686 HH11 ARG 88 1HH1 ARG 88 4.582 -3.275 -13.082 687 HH12 ARG 88 2HH1 ARG 88 5.836 -3.361 -14.284 688 HH21 ARG 88 1HH2 ARG 88 7.950 -5.430 -12.379 689 HH22 ARG 88 2HH2 ARG 88 7.739 -4.583 -13.882 690 H SER 89 H SER 89 2.222 -6.846 -11.279 691 HA SER 89 HA SER 89 1.359 -5.006 -13.411 692 HB2 SER 89 2HB SER 89 2.895 -6.388 -14.817 693 HB3 SER 89 1HB SER 89 3.700 -5.702 -13.404 694 HG SER 89 HG SER 89 3.743 -7.656 -12.442 695 H LYS 90 H LYS 90 0.464 -7.989 -11.931 696 HA LYS 90 HA LYS 90 -0.888 -9.135 -14.252 697 HB2 LYS 90 2HB LYS 90 0.310 -10.587 -12.649 698 HB3 LYS 90 1HB LYS 90 -0.730 -10.060 -11.342 699 HG2 LYS 90 2HG LYS 90 -2.129 -11.321 -13.672 700 HG3 LYS 90 1HG LYS 90 -1.070 -12.388 -12.755 701 HD2 LYS 90 2HD LYS 90 -3.382 -10.772 -11.613 702 HD3 LYS 90 1HD LYS 90 -3.393 -12.508 -11.933 703 HE2 LYS 90 2HE LYS 90 -1.565 -11.102 -9.953 704 HE3 LYS 90 1HE LYS 90 -3.004 -12.020 -9.534 705 HZ1 LYS 90 1HZ LYS 90 -1.970 -14.001 -10.417 706 HZ2 LYS 90 2HZ LYS 90 -0.999 -13.304 -9.225 707 HZ3 LYS 90 3HZ LYS 90 -0.587 -13.128 -10.852 708 H ILE 91 H ILE 91 -1.776 -7.850 -11.062 709 HA ILE 91 HA ILE 91 -4.564 -7.422 -11.833 710 HB ILE 91 HB ILE 91 -3.228 -6.640 -9.193 711 HG12 ILE 91 2HG1 ILE 91 -4.360 -9.359 -9.981 712 HG13 ILE 91 1HG1 ILE 91 -2.691 -8.999 -9.599 713 HG21 ILE 91 1HG2 ILE 91 -5.487 -6.932 -8.228 714 HG22 ILE 91 2HG2 ILE 91 -6.124 -7.367 -9.814 715 HG23 ILE 91 3HG2 ILE 91 -5.510 -5.737 -9.527 716 HD11 ILE 91 1HD1 ILE 91 -3.722 -10.173 -7.791 717 HD12 ILE 91 2HD1 ILE 91 -5.002 -8.969 -7.674 718 HD13 ILE 91 3HD1 ILE 91 -3.338 -8.531 -7.277 719 H ALA 92 H ALA 92 -2.131 -5.961 -13.030 720 HA ALA 92 HA ALA 92 -2.391 -3.195 -12.674 721 HB1 ALA 92 1HB ALA 92 -1.564 -3.010 -14.997 722 HB2 ALA 92 2HB ALA 92 -1.868 -4.734 -15.242 723 HB3 ALA 92 3HB ALA 92 -0.656 -4.207 -14.075 724 H LYS 93 H LYS 93 -4.549 -5.514 -14.062 725 HA LYS 93 HA LYS 93 -6.535 -3.434 -14.751 726 HB2 LYS 93 2HB LYS 93 -6.475 -6.409 -15.463 727 HB3 LYS 93 1HB LYS 93 -7.723 -5.269 -15.951 728 HG2 LYS 93 2HG LYS 93 -6.205 -4.096 -17.410 729 HG3 LYS 93 1HG LYS 93 -4.819 -4.983 -16.778 730 HD2 LYS 93 2HD LYS 93 -7.113 -6.226 -18.354 731 HD3 LYS 93 1HD LYS 93 -5.532 -5.809 -19.018 732 HE2 LYS 93 2HE LYS 93 -4.458 -7.415 -17.475 733 HE3 LYS 93 1HE LYS 93 -6.038 -7.830 -16.805 734 HZ1 LYS 93 1HZ LYS 93 -5.235 -8.211 -19.635 735 HZ2 LYS 93 2HZ LYS 93 -6.698 -8.692 -18.945 736 HZ3 LYS 93 3HZ LYS 93 -5.253 -9.430 -18.468 737 HA PRO 94 HA PRO 94 -8.541 -5.267 -10.989 738 HB2 PRO 94 2HB PRO 94 -8.407 -3.200 -9.275 739 HB3 PRO 94 1HB PRO 94 -6.962 -4.181 -9.586 740 HG2 PRO 94 2HG PRO 94 -7.601 -1.433 -10.523 741 HG3 PRO 94 1HG PRO 94 -6.022 -2.171 -10.183 742 HD2 PRO 94 2HD PRO 94 -7.315 -1.905 -12.755 743 HD3 PRO 94 1HD PRO 94 -5.759 -2.674 -12.389 744 H SER 95 H SER 95 -10.508 -4.054 -9.722 745 HA SER 95 HA SER 95 -12.159 -2.648 -11.735 746 HB2 SER 95 2HB SER 95 -13.012 -4.850 -10.925 747 HB3 SER 95 1HB SER 95 -13.027 -4.229 -9.273 748 HG SER 95 HG SER 95 -14.644 -2.852 -9.795 749 H GLU 96 H GLU 96 -12.145 -2.748 -8.126 750 HA GLU 96 HA GLU 96 -12.582 0.171 -8.085 751 HB2 GLU 96 2HB GLU 96 -12.878 -1.783 -5.760 752 HB3 GLU 96 1HB GLU 96 -13.427 -0.115 -5.812 753 HG2 GLU 96 2HG GLU 96 -15.404 -1.326 -6.056 754 HG3 GLU 96 1HG GLU 96 -15.005 -0.921 -7.725 755 H THR 97 H THR 97 -10.144 -0.021 -8.756 756 HA THR 97 HA THR 97 -8.520 0.752 -6.472 757 HB THR 97 HB THR 97 -7.569 -1.586 -8.197 758 HG1 THR 97 HG1 THR 97 -8.801 -1.461 -5.696 759 HG21 THR 97 1HG2 THR 97 -5.699 -0.127 -7.465 760 HG22 THR 97 2HG2 THR 97 -5.643 -1.692 -6.655 761 HG23 THR 97 3HG2 THR 97 -6.238 -0.275 -5.789 762 H LEU 98 H LEU 98 -8.587 0.020 -9.968 763 HA LEU 98 HA LEU 98 -7.812 2.720 -10.630 764 HB2 LEU 98 2HB LEU 98 -5.616 1.342 -10.274 765 HB3 LEU 98 1HB LEU 98 -6.032 0.497 -11.750 766 HG LEU 98 HG LEU 98 -5.597 3.517 -11.617 767 HD11 LEU 98 1HD1 LEU 98 -3.519 2.421 -10.967 768 HD12 LEU 98 2HD1 LEU 98 -3.361 3.144 -12.564 769 HD13 LEU 98 3HD1 LEU 98 -3.567 1.397 -12.405 770 HD21 LEU 98 1HD2 LEU 98 -5.320 3.375 -14.064 771 HD22 LEU 98 2HD2 LEU 98 -6.920 2.850 -13.556 772 HD23 LEU 98 3HD2 LEU 98 -5.710 1.651 -14.014 Start of MODEL 12 1 H1 ALA 1 1H ALA 1 11.345 -19.132 11.973 2 H2 ALA 1 2H ALA 1 11.007 -20.712 12.466 3 H3 ALA 1 3H ALA 1 10.677 -20.236 10.879 4 HA ALA 1 HA ALA 1 13.354 -20.422 12.120 5 HB1 ALA 1 1HB ALA 1 13.700 -22.351 10.595 6 HB2 ALA 1 2HB ALA 1 12.034 -22.203 10.030 7 HB3 ALA 1 3HB ALA 1 12.360 -22.644 11.706 8 H GLU 2 H GLU 2 13.429 -18.120 11.421 9 HA GLU 2 HA GLU 2 13.981 -16.389 10.082 10 HB2 GLU 2 2HB GLU 2 15.417 -18.604 8.556 11 HB3 GLU 2 1HB GLU 2 15.628 -16.890 8.204 12 HG2 GLU 2 2HG GLU 2 16.544 -16.500 10.436 13 HG3 GLU 2 1HG GLU 2 16.245 -18.182 10.877 14 H GLN 3 H GLN 3 11.758 -16.077 9.551 15 HA GLN 3 HA GLN 3 10.670 -17.010 7.032 16 HB2 GLN 3 2HB GLN 3 9.300 -16.573 9.132 17 HB3 GLN 3 1HB GLN 3 9.584 -14.853 8.906 18 HG2 GLN 3 2HG GLN 3 7.390 -15.393 8.071 19 HG3 GLN 3 1HG GLN 3 8.419 -14.999 6.695 20 HE21 GLN 3 1HE2 GLN 3 6.994 -16.129 5.307 21 HE22 GLN 3 2HE2 GLN 3 6.959 -17.849 5.249 22 H SER 4 H SER 4 10.524 -15.815 5.156 23 HA SER 4 HA SER 4 12.359 -13.800 4.530 24 HB2 SER 4 2HB SER 4 11.015 -13.545 2.417 25 HB3 SER 4 1HB SER 4 11.390 -15.224 2.806 26 HG SER 4 HG SER 4 8.916 -13.921 3.400 27 H ASP 5 H ASP 5 9.093 -13.649 5.702 28 HA ASP 5 HA ASP 5 8.475 -10.979 4.917 29 HB2 ASP 5 2HB ASP 5 7.066 -12.843 6.872 30 HB3 ASP 5 1HB ASP 5 6.385 -11.358 6.206 31 H LYS 6 H LYS 6 9.914 -12.379 7.750 32 HA LYS 6 HA LYS 6 9.563 -10.348 9.661 33 HB2 LYS 6 2HB LYS 6 10.409 -12.529 10.277 34 HB3 LYS 6 1HB LYS 6 11.786 -12.391 9.206 35 HG2 LYS 6 2HG LYS 6 11.515 -10.493 11.548 36 HG3 LYS 6 1HG LYS 6 12.079 -12.137 11.822 37 HD2 LYS 6 2HD LYS 6 13.401 -10.069 10.014 38 HD3 LYS 6 1HD LYS 6 13.979 -10.583 11.597 39 HE2 LYS 6 2HE LYS 6 14.499 -12.795 10.775 40 HE3 LYS 6 1HE LYS 6 13.682 -12.483 9.241 41 HZ1 LYS 6 1HZ LYS 6 15.365 -10.780 8.765 42 HZ2 LYS 6 2HZ LYS 6 16.056 -12.310 8.970 43 HZ3 LYS 6 3HZ LYS 6 16.165 -11.162 10.203 44 H ASP 7 H ASP 7 11.908 -10.720 7.058 45 HA ASP 7 HA ASP 7 13.388 -8.286 7.635 46 HB2 ASP 7 2HB ASP 7 14.560 -10.277 6.750 47 HB3 ASP 7 1HB ASP 7 13.534 -10.280 5.323 48 H VAL 8 H VAL 8 11.231 -9.507 5.106 49 HA VAL 8 HA VAL 8 10.231 -6.890 4.377 50 HB VAL 8 HB VAL 8 12.253 -6.896 3.008 51 HG11 VAL 8 1HG1 VAL 8 12.842 -8.668 1.405 52 HG12 VAL 8 2HG1 VAL 8 11.454 -9.621 1.932 53 HG13 VAL 8 3HG1 VAL 8 12.775 -9.297 3.054 54 HG21 VAL 8 1HG2 VAL 8 9.884 -7.614 1.241 55 HG22 VAL 8 2HG2 VAL 8 11.336 -6.761 0.713 56 HG23 VAL 8 3HG2 VAL 8 10.250 -6.014 1.885 57 H LYS 9 H LYS 9 8.050 -7.281 4.259 58 HA LYS 9 HA LYS 9 7.121 -10.023 4.074 59 HB2 LYS 9 2HB LYS 9 6.179 -8.500 5.778 60 HB3 LYS 9 1HB LYS 9 5.488 -7.495 4.508 61 HG2 LYS 9 2HG LYS 9 4.053 -9.333 3.776 62 HG3 LYS 9 1HG LYS 9 4.805 -10.424 4.942 63 HD2 LYS 9 2HD LYS 9 3.879 -9.075 6.801 64 HD3 LYS 9 1HD LYS 9 3.136 -7.973 5.637 65 HE2 LYS 9 2HE LYS 9 2.494 -10.927 5.966 66 HE3 LYS 9 1HE LYS 9 1.481 -9.577 6.477 67 HZ1 LYS 9 1HZ LYS 9 1.222 -8.933 4.160 68 HZ2 LYS 9 2HZ LYS 9 0.739 -10.535 4.378 69 HZ3 LYS 9 3HZ LYS 9 2.230 -10.198 3.666 70 H TYR 10 H TYR 10 6.280 -10.989 2.427 71 HA TYR 10 HA TYR 10 6.206 -9.710 -0.184 72 HB2 TYR 10 2HB TYR 10 6.159 -12.585 0.786 73 HB3 TYR 10 1HB TYR 10 5.735 -12.200 -0.876 74 HD1 TYR 10 HD1 TYR 10 7.446 -12.355 -2.455 75 HD2 TYR 10 HD2 TYR 10 8.511 -11.411 1.576 76 HE1 TYR 10 HE1 TYR 10 9.819 -12.402 -3.078 77 HE2 TYR 10 HE2 TYR 10 10.891 -11.456 0.953 78 HH TYR 10 HH TYR 10 11.944 -11.547 -2.314 79 H TYR 11 H TYR 11 4.399 -8.502 -0.205 80 HA TYR 11 HA TYR 11 1.730 -9.476 0.335 81 HB2 TYR 11 2HB TYR 11 2.976 -6.850 -0.508 82 HB3 TYR 11 1HB TYR 11 1.274 -7.092 -0.875 83 HD1 TYR 11 HD1 TYR 11 3.679 -7.324 2.021 84 HD2 TYR 11 HD2 TYR 11 -0.315 -6.531 0.710 85 HE1 TYR 11 HE1 TYR 11 3.047 -6.680 4.298 86 HE2 TYR 11 HE2 TYR 11 -0.933 -5.891 2.986 87 HH TYR 11 HH TYR 11 -0.236 -6.240 5.231 88 H THR 12 H THR 12 0.139 -9.868 -1.171 89 HA THR 12 HA THR 12 0.825 -9.735 -4.060 90 HB THR 12 HB THR 12 -1.385 -10.954 -4.379 91 HG1 THR 12 HG1 THR 12 -2.506 -11.646 -2.682 92 HG21 THR 12 1HG2 THR 12 -0.558 -13.170 -3.715 93 HG22 THR 12 2HG2 THR 12 0.655 -12.416 -2.678 94 HG23 THR 12 3HG2 THR 12 0.734 -12.203 -4.429 95 H LEU 13 H LEU 13 -0.522 -8.521 -5.413 96 HA LEU 13 HA LEU 13 -1.636 -6.138 -4.387 97 HB2 LEU 13 2HB LEU 13 -0.652 -6.641 -6.776 98 HB3 LEU 13 1HB LEU 13 -2.278 -7.172 -7.172 99 HG LEU 13 HG LEU 13 -3.161 -4.904 -6.662 100 HD11 LEU 13 1HD1 LEU 13 -0.276 -4.154 -6.045 101 HD12 LEU 13 2HD1 LEU 13 -1.609 -4.224 -4.890 102 HD13 LEU 13 3HD1 LEU 13 -1.625 -3.023 -6.177 103 HD21 LEU 13 1HD2 LEU 13 -0.777 -4.775 -8.546 104 HD22 LEU 13 2HD2 LEU 13 -2.172 -3.692 -8.545 105 HD23 LEU 13 3HD2 LEU 13 -2.379 -5.391 -8.966 106 H GLU 14 H GLU 14 -2.909 -9.282 -5.175 107 HA GLU 14 HA GLU 14 -5.693 -8.781 -4.958 108 HB2 GLU 14 2HB GLU 14 -4.749 -10.878 -5.892 109 HB3 GLU 14 1HB GLU 14 -4.122 -11.315 -4.305 110 HG2 GLU 14 2HG GLU 14 -6.376 -11.553 -3.417 111 HG3 GLU 14 1HG GLU 14 -7.077 -10.949 -4.918 112 H GLU 15 H GLU 15 -3.206 -9.605 -2.504 113 HA GLU 15 HA GLU 15 -4.829 -9.845 -0.222 114 HB2 GLU 15 2HB GLU 15 -2.415 -10.432 -0.257 115 HB3 GLU 15 1HB GLU 15 -1.997 -8.733 -0.407 116 HG2 GLU 15 2HG GLU 15 -2.960 -8.312 1.851 117 HG3 GLU 15 1HG GLU 15 -3.332 -10.032 1.995 118 H ILE 16 H ILE 16 -3.692 -7.011 -1.921 119 HA ILE 16 HA ILE 16 -4.629 -5.137 0.104 120 HB ILE 16 HB ILE 16 -3.543 -4.469 -2.674 121 HG12 ILE 16 2HG1 ILE 16 -1.951 -4.807 -0.075 122 HG13 ILE 16 1HG1 ILE 16 -1.879 -5.892 -1.459 123 HG21 ILE 16 1HG2 ILE 16 -4.710 -2.638 -1.496 124 HG22 ILE 16 2HG2 ILE 16 -2.986 -2.302 -1.642 125 HG23 ILE 16 3HG2 ILE 16 -3.647 -2.851 -0.100 126 HD11 ILE 16 1HD1 ILE 16 0.037 -4.425 -1.398 127 HD12 ILE 16 2HD1 ILE 16 -1.008 -3.006 -1.429 128 HD13 ILE 16 3HD1 ILE 16 -0.947 -4.092 -2.822 129 H GLN 17 H GLN 17 -5.688 -6.422 -3.028 130 HA GLN 17 HA GLN 17 -7.649 -4.469 -3.662 131 HB2 GLN 17 2HB GLN 17 -7.148 -7.289 -4.643 132 HB3 GLN 17 1HB GLN 17 -8.621 -6.459 -5.123 133 HG2 GLN 17 2HG GLN 17 -5.784 -5.551 -5.695 134 HG3 GLN 17 1HG GLN 17 -6.929 -6.232 -6.850 135 HE21 GLN 17 1HE2 GLN 17 -5.975 -3.388 -5.111 136 HE22 GLN 17 2HE2 GLN 17 -7.075 -2.296 -5.874 137 H LYS 18 H LYS 18 -7.749 -7.203 -1.513 138 HA LYS 18 HA LYS 18 -10.653 -7.242 -1.258 139 HB2 LYS 18 2HB LYS 18 -8.460 -8.659 0.300 140 HB3 LYS 18 1HB LYS 18 -10.184 -8.935 0.534 141 HG2 LYS 18 2HG LYS 18 -10.309 -9.615 -1.906 142 HG3 LYS 18 1HG LYS 18 -8.546 -9.549 -1.947 143 HD2 LYS 18 2HD LYS 18 -8.426 -11.304 -0.215 144 HD3 LYS 18 1HD LYS 18 -10.188 -11.328 -0.098 145 HE2 LYS 18 2HE LYS 18 -10.268 -12.045 -2.520 146 HE3 LYS 18 1HE LYS 18 -8.507 -12.176 -2.488 147 HZ1 LYS 18 1HZ LYS 18 -8.719 -13.834 -0.719 148 HZ2 LYS 18 2HZ LYS 18 -9.542 -14.314 -2.115 149 HZ3 LYS 18 3HZ LYS 18 -10.403 -13.715 -0.792 150 H HIS 19 H HIS 19 -9.488 -4.734 -0.787 151 HA HIS 19 HA HIS 19 -9.371 -4.066 1.983 152 HB2 HIS 19 2HB HIS 19 -9.446 -1.669 0.985 153 HB3 HIS 19 1HB HIS 19 -8.067 -2.675 0.591 154 HD1 HIS 19 HD1 HIS 19 -7.387 -2.330 -1.758 155 HD2 HIS 19 HD2 HIS 19 -11.506 -2.069 -1.349 156 HE1 HIS 19 HE1 HIS 19 -8.268 -1.801 -4.040 157 HE2 HIS 19 HE2 HIS 19 -10.725 -1.450 -3.701 158 H LYS 20 H LYS 20 -11.248 -4.544 3.060 159 HA LYS 20 HA LYS 20 -13.763 -3.179 2.207 160 HB2 LYS 20 2HB LYS 20 -13.435 -5.785 3.770 161 HB3 LYS 20 1HB LYS 20 -14.978 -5.003 3.439 162 HG2 LYS 20 2HG LYS 20 -13.086 -6.114 1.340 163 HG3 LYS 20 1HG LYS 20 -14.545 -6.918 1.929 164 HD2 LYS 20 2HD LYS 20 -15.941 -5.108 1.030 165 HD3 LYS 20 1HD LYS 20 -14.503 -4.214 0.526 166 HE2 LYS 20 2HE LYS 20 -13.941 -5.976 -1.080 167 HE3 LYS 20 1HE LYS 20 -15.326 -6.936 -0.546 168 HZ1 LYS 20 1HZ LYS 20 -15.785 -5.712 -2.578 169 HZ2 LYS 20 2HZ LYS 20 -15.475 -4.250 -1.800 170 HZ3 LYS 20 3HZ LYS 20 -16.796 -5.195 -1.325 171 H ASP 21 H ASP 21 -11.332 -2.575 4.101 172 HA ASP 21 HA ASP 21 -12.665 -1.168 6.175 173 HB2 ASP 21 2HB ASP 21 -13.002 -3.540 6.986 174 HB3 ASP 21 1HB ASP 21 -11.260 -3.759 7.006 175 H SER 22 H SER 22 -11.054 -0.260 7.752 176 HA SER 22 HA SER 22 -8.843 0.928 6.554 177 HB2 SER 22 2HB SER 22 -9.347 0.514 9.530 178 HB3 SER 22 1HB SER 22 -8.268 1.720 8.820 179 HG SER 22 HG SER 22 -9.970 2.837 8.077 180 H LYS 23 H LYS 23 -9.029 -2.071 8.437 181 HA LYS 23 HA LYS 23 -6.285 -2.295 9.086 182 HB2 LYS 23 2HB LYS 23 -6.835 -4.176 10.273 183 HB3 LYS 23 1HB LYS 23 -8.476 -3.615 10.027 184 HG2 LYS 23 2HG LYS 23 -7.153 -5.633 8.194 185 HG3 LYS 23 1HG LYS 23 -7.996 -6.109 9.659 186 HD2 LYS 23 2HD LYS 23 -9.563 -4.361 7.805 187 HD3 LYS 23 1HD LYS 23 -9.168 -5.961 7.178 188 HE2 LYS 23 2HE LYS 23 -11.370 -5.915 8.297 189 HE3 LYS 23 1HE LYS 23 -10.258 -7.023 9.094 190 HZ1 LYS 23 1HZ LYS 23 -10.796 -4.256 10.035 191 HZ2 LYS 23 2HZ LYS 23 -9.922 -5.455 10.846 192 HZ3 LYS 23 3HZ LYS 23 -11.590 -5.624 10.625 193 H SER 24 H SER 24 -8.092 -3.110 6.258 194 HA SER 24 HA SER 24 -5.703 -4.303 4.991 195 HB2 SER 24 2HB SER 24 -8.646 -4.710 4.305 196 HB3 SER 24 1HB SER 24 -7.292 -5.399 3.413 197 HG SER 24 HG SER 24 -6.890 -6.051 5.921 198 H THR 25 H THR 25 -4.886 -2.184 4.625 199 HA THR 25 HA THR 25 -5.779 -1.016 2.116 200 HB THR 25 HB THR 25 -5.561 0.757 4.608 201 HG1 THR 25 HG1 THR 25 -7.570 -0.474 4.382 202 HG21 THR 25 1HG2 THR 25 -4.737 1.859 2.555 203 HG22 THR 25 2HG2 THR 25 -6.269 2.560 3.067 204 HG23 THR 25 3HG2 THR 25 -6.231 1.432 1.714 205 H TRP 26 H TRP 26 -3.912 -0.918 0.988 206 HA TRP 26 HA TRP 26 -1.439 0.127 2.166 207 HB2 TRP 26 2HB TRP 26 -1.562 -2.606 0.780 208 HB3 TRP 26 1HB TRP 26 -0.091 -1.784 1.291 209 HD1 TRP 26 HD TRP 26 0.268 -1.563 4.023 210 HE1 TRP 26 HE1 TRP 26 -0.541 -3.039 5.951 211 HE3 TRP 26 HE3 TRP 26 -3.328 -4.179 1.540 212 HZ2 TRP 26 HZ2 TRP 26 -2.440 -5.079 6.363 213 HZ3 TRP 26 HZ3 TRP 26 -4.590 -5.897 2.763 214 HH2 TRP 26 HH TRP 26 -4.155 -6.340 5.129 215 H VAL 27 H VAL 27 0.153 0.662 0.449 216 HA VAL 27 HA VAL 27 -0.976 0.865 -2.286 217 HB VAL 27 HB VAL 27 0.003 3.150 -2.533 218 HG11 VAL 27 1HG1 VAL 27 -2.093 2.974 -0.331 219 HG12 VAL 27 2HG1 VAL 27 -2.397 2.950 -2.068 220 HG13 VAL 27 3HG1 VAL 27 -1.743 4.402 -1.312 221 HG21 VAL 27 1HG2 VAL 27 1.715 3.059 -0.771 222 HG22 VAL 27 2HG2 VAL 27 0.469 3.032 0.476 223 HG23 VAL 27 3HG2 VAL 27 0.672 4.464 -0.537 224 H ILE 28 H ILE 28 0.646 1.082 -3.949 225 HA ILE 28 HA ILE 28 3.299 -0.002 -3.178 226 HB ILE 28 HB ILE 28 3.223 -1.530 -5.092 227 HG12 ILE 28 2HG1 ILE 28 0.685 -1.832 -6.108 228 HG13 ILE 28 1HG1 ILE 28 0.651 -0.100 -5.818 229 HG21 ILE 28 1HG2 ILE 28 1.436 -3.068 -4.271 230 HG22 ILE 28 2HG2 ILE 28 0.772 -1.752 -3.305 231 HG23 ILE 28 3HG2 ILE 28 2.394 -2.368 -2.968 232 HD11 ILE 28 1HD1 ILE 28 1.248 -0.682 -8.121 233 HD12 ILE 28 2HD1 ILE 28 2.668 -1.547 -7.538 234 HD13 ILE 28 3HD1 ILE 28 2.551 0.201 -7.321 235 H LEU 29 H LEU 29 5.037 0.988 -4.165 236 HA LEU 29 HA LEU 29 4.447 3.338 -5.810 237 HB2 LEU 29 2HB LEU 29 6.606 4.117 -5.424 238 HB3 LEU 29 1HB LEU 29 6.218 3.294 -3.927 239 HG LEU 29 HG LEU 29 7.980 2.105 -6.123 240 HD11 LEU 29 1HD1 LEU 29 9.899 2.595 -4.665 241 HD12 LEU 29 2HD1 LEU 29 8.839 3.439 -3.536 242 HD13 LEU 29 3HD1 LEU 29 9.077 4.073 -5.166 243 HD21 LEU 29 1HD2 LEU 29 8.649 0.463 -4.433 244 HD22 LEU 29 2HD2 LEU 29 6.914 0.394 -4.724 245 HD23 LEU 29 3HD2 LEU 29 7.531 1.180 -3.271 246 H HIS 30 H HIS 30 5.487 0.086 -6.251 247 HA HIS 30 HA HIS 30 5.193 0.006 -9.021 248 HB2 HIS 30 2HB HIS 30 7.295 1.399 -9.056 249 HB3 HIS 30 1HB HIS 30 8.152 0.130 -8.189 250 HD1 HIS 30 HD1 HIS 30 9.356 -1.485 -9.644 251 HD2 HIS 30 HD2 HIS 30 6.309 0.446 -11.677 252 HE1 HIS 30 HE1 HIS 30 9.548 -2.254 -12.021 253 HE2 HIS 30 HE2 HIS 30 7.602 -1.184 -13.197 254 H HIS 31 H HIS 31 7.686 -1.318 -6.848 255 HA HIS 31 HA HIS 31 6.624 -4.070 -7.205 256 HB2 HIS 31 2HB HIS 31 8.793 -3.871 -8.308 257 HB3 HIS 31 1HB HIS 31 9.508 -3.115 -6.892 258 HD1 HIS 31 HD1 HIS 31 11.125 -4.740 -5.927 259 HD2 HIS 31 HD2 HIS 31 7.662 -6.643 -7.194 260 HE1 HIS 31 HE1 HIS 31 11.376 -7.132 -5.221 261 HE2 HIS 31 HE2 HIS 31 9.153 -8.159 -5.745 262 H LYS 32 H LYS 32 7.454 -1.594 -4.871 263 HA LYS 32 HA LYS 32 7.296 -3.617 -2.699 264 HB2 LYS 32 2HB LYS 32 8.574 -0.863 -2.555 265 HB3 LYS 32 1HB LYS 32 8.483 -2.033 -1.241 266 HG2 LYS 32 2HG LYS 32 9.854 -3.619 -2.653 267 HG3 LYS 32 1HG LYS 32 10.052 -2.315 -3.825 268 HD2 LYS 32 2HD LYS 32 10.999 -2.297 -0.934 269 HD3 LYS 32 1HD LYS 32 12.016 -2.460 -2.363 270 HE2 LYS 32 2HE LYS 32 11.373 -0.168 -3.074 271 HE3 LYS 32 1HE LYS 32 10.365 -0.010 -1.633 272 HZ1 LYS 32 1HZ LYS 32 13.317 -0.334 -1.712 273 HZ2 LYS 32 2HZ LYS 32 12.401 -0.358 -0.294 274 HZ3 LYS 32 3HZ LYS 32 12.459 1.044 -1.234 275 H VAL 33 H VAL 33 6.071 -3.203 -0.877 276 HA VAL 33 HA VAL 33 3.734 -1.444 -1.322 277 HB VAL 33 HB VAL 33 3.274 -3.867 -1.246 278 HG11 VAL 33 1HG1 VAL 33 4.348 -3.832 1.593 279 HG12 VAL 33 2HG1 VAL 33 5.123 -4.584 0.200 280 HG13 VAL 33 3HG1 VAL 33 3.583 -5.200 0.783 281 HG21 VAL 33 1HG2 VAL 33 1.520 -2.334 -0.452 282 HG22 VAL 33 2HG2 VAL 33 2.146 -2.449 1.195 283 HG23 VAL 33 3HG2 VAL 33 1.454 -3.874 0.413 284 H TYR 34 H TYR 34 2.868 -0.276 0.410 285 HA TYR 34 HA TYR 34 4.578 0.269 2.763 286 HB2 TYR 34 2HB TYR 34 3.040 2.297 1.061 287 HB3 TYR 34 1HB TYR 34 3.923 2.672 2.541 288 HD1 TYR 34 HD1 TYR 34 6.390 2.669 2.558 289 HD2 TYR 34 HD2 TYR 34 4.242 1.886 -1.050 290 HE1 TYR 34 HE1 TYR 34 8.434 3.045 1.268 291 HE2 TYR 34 HE2 TYR 34 6.294 2.272 -2.346 292 HH TYR 34 HH TYR 34 8.472 3.509 -2.039 293 H ASP 35 H ASP 35 3.366 1.034 4.614 294 HA ASP 35 HA ASP 35 0.842 -0.402 4.823 295 HB2 ASP 35 2HB ASP 35 2.677 -0.788 6.511 296 HB3 ASP 35 1HB ASP 35 2.472 0.873 7.064 297 H LEU 36 H LEU 36 -0.655 0.882 3.898 298 HA LEU 36 HA LEU 36 -0.938 3.684 4.649 299 HB2 LEU 36 2HB LEU 36 -1.485 2.258 2.313 300 HB3 LEU 36 1HB LEU 36 -3.088 2.461 2.986 301 HG LEU 36 HG LEU 36 -2.557 4.251 1.375 302 HD11 LEU 36 1HD1 LEU 36 -2.664 5.374 4.188 303 HD12 LEU 36 2HD1 LEU 36 -4.046 4.795 3.257 304 HD13 LEU 36 3HD1 LEU 36 -3.141 6.198 2.698 305 HD21 LEU 36 1HD2 LEU 36 -0.306 5.095 3.239 306 HD22 LEU 36 2HD2 LEU 36 -0.789 5.879 1.732 307 HD23 LEU 36 3HD2 LEU 36 -0.089 4.268 1.698 308 H THR 37 H THR 37 -2.026 0.663 5.735 309 HA THR 37 HA THR 37 -4.512 1.021 6.850 310 HB THR 37 HB THR 37 -2.130 -0.600 7.835 311 HG1 THR 37 HG1 THR 37 -4.466 -1.266 6.349 312 HG21 THR 37 1HG2 THR 37 -3.656 -0.293 9.753 313 HG22 THR 37 2HG2 THR 37 -3.716 -1.955 9.164 314 HG23 THR 37 3HG2 THR 37 -5.017 -0.831 8.767 315 H LYS 38 H LYS 38 -1.355 1.919 8.246 316 HA LYS 38 HA LYS 38 -2.581 3.265 10.534 317 HB2 LYS 38 2HB LYS 38 0.233 2.648 9.641 318 HB3 LYS 38 1HB LYS 38 0.004 3.972 10.772 319 HG2 LYS 38 2HG LYS 38 -1.005 1.153 11.257 320 HG3 LYS 38 1HG LYS 38 0.547 1.762 11.834 321 HD2 LYS 38 2HD LYS 38 -2.208 2.812 12.604 322 HD3 LYS 38 1HD LYS 38 -1.106 1.891 13.632 323 HE2 LYS 38 2HE LYS 38 0.522 3.747 13.564 324 HE3 LYS 38 1HE LYS 38 -0.557 4.665 12.502 325 HZ1 LYS 38 1HZ LYS 38 -0.692 5.353 14.833 326 HZ2 LYS 38 2HZ LYS 38 -1.225 3.805 15.264 327 HZ3 LYS 38 3HZ LYS 38 -2.165 4.770 14.252 328 H PHE 39 H PHE 39 -1.027 4.116 7.492 329 HA PHE 39 HA PHE 39 -0.583 6.848 7.925 330 HB2 PHE 39 2HB PHE 39 0.376 5.359 6.105 331 HB3 PHE 39 1HB PHE 39 -1.143 5.532 5.246 332 HD1 PHE 39 HD1 PHE 39 1.776 7.451 6.555 333 HD2 PHE 39 HD2 PHE 39 -1.499 7.437 3.812 334 HE1 PHE 39 HE1 PHE 39 2.687 9.443 5.444 335 HE2 PHE 39 HE2 PHE 39 -0.576 9.432 2.714 336 HZ PHE 39 HZ PHE 39 1.513 10.429 3.529 337 H LEU 40 H LEU 40 -3.551 5.183 7.157 338 HA LEU 40 HA LEU 40 -5.009 7.462 6.211 339 HB2 LEU 40 2HB LEU 40 -6.990 6.026 6.297 340 HB3 LEU 40 1HB LEU 40 -5.645 5.268 5.480 341 HG LEU 40 HG LEU 40 -5.285 4.067 7.845 342 HD11 LEU 40 1HD1 LEU 40 -8.265 4.630 7.955 343 HD12 LEU 40 2HD1 LEU 40 -7.045 5.236 9.077 344 HD13 LEU 40 3HD1 LEU 40 -7.373 3.510 8.991 345 HD21 LEU 40 1HD2 LEU 40 -7.420 3.183 5.882 346 HD22 LEU 40 2HD2 LEU 40 -6.600 2.154 7.062 347 HD23 LEU 40 3HD2 LEU 40 -5.684 2.886 5.749 348 H GLU 41 H GLU 41 -4.529 6.028 9.437 349 HA GLU 41 HA GLU 41 -6.700 7.621 10.585 350 HB2 GLU 41 2HB GLU 41 -6.129 6.556 12.739 351 HB3 GLU 41 1HB GLU 41 -6.401 5.366 11.474 352 HG2 GLU 41 2HG GLU 41 -4.058 4.895 11.285 353 HG3 GLU 41 1HG GLU 41 -3.629 6.271 12.292 354 H GLU 42 H GLU 42 -3.465 8.169 9.832 355 HA GLU 42 HA GLU 42 -2.569 9.742 11.981 356 HB2 GLU 42 2HB GLU 42 -1.776 10.025 9.051 357 HB3 GLU 42 1HB GLU 42 -0.867 10.623 10.434 358 HG2 GLU 42 2HG GLU 42 -1.350 7.730 9.683 359 HG3 GLU 42 1HG GLU 42 0.168 8.610 9.578 360 H TRP 43 H TRP 43 -3.684 10.969 8.776 361 HA TRP 43 HA TRP 43 -4.606 13.456 10.111 362 HB2 TRP 43 2HB TRP 43 -3.387 13.088 7.355 363 HB3 TRP 43 1HB TRP 43 -4.309 14.525 7.771 364 HD1 TRP 43 HD TRP 43 -1.589 12.758 9.934 365 HE1 TRP 43 HE1 TRP 43 0.264 14.458 10.416 366 HE3 TRP 43 HE3 TRP 43 -3.335 16.685 7.160 367 HZ2 TRP 43 HZ2 TRP 43 0.913 17.098 9.734 368 HZ3 TRP 43 HZ3 TRP 43 -2.025 18.773 7.129 369 HH2 TRP 43 HH TRP 43 0.060 18.975 8.392 370 HA PRO 44 HA PRO 44 -7.948 12.907 6.632 371 HB2 PRO 44 2HB PRO 44 -8.302 10.359 5.508 372 HB3 PRO 44 1HB PRO 44 -7.400 11.686 4.760 373 HG2 PRO 44 2HG PRO 44 -6.374 9.316 6.242 374 HG3 PRO 44 1HG PRO 44 -5.675 10.159 4.844 375 HD2 PRO 44 2HD PRO 44 -4.728 10.473 7.386 376 HD3 PRO 44 1HD PRO 44 -4.630 11.754 6.159 377 H GLY 45 H GLY 45 -7.345 10.021 8.612 378 HA2 GLY 45 2HA GLY 45 -8.575 8.894 10.172 379 HA3 GLY 45 1HA GLY 45 -9.561 10.338 10.328 380 H GLY 46 H GLY 46 -9.481 9.078 7.161 381 HA2 GLY 46 2HA GLY 46 -11.926 7.459 7.428 382 HA3 GLY 46 1HA GLY 46 -11.950 8.898 6.412 383 H GLU 47 H GLU 47 -11.040 5.641 6.654 384 HA GLU 47 HA GLU 47 -8.918 5.420 4.876 385 HB2 GLU 47 2HB GLU 47 -9.352 3.057 4.816 386 HB3 GLU 47 1HB GLU 47 -9.702 3.624 6.436 387 HG2 GLU 47 2HG GLU 47 -11.708 2.823 4.308 388 HG3 GLU 47 1HG GLU 47 -11.328 1.966 5.800 389 H GLU 48 H GLU 48 -12.327 5.735 4.225 390 HA GLU 48 HA GLU 48 -12.934 4.584 1.916 391 HB2 GLU 48 2HB GLU 48 -14.439 6.573 1.431 392 HB3 GLU 48 1HB GLU 48 -14.581 5.870 3.038 393 HG2 GLU 48 2HG GLU 48 -13.262 7.670 4.011 394 HG3 GLU 48 1HG GLU 48 -12.948 8.352 2.416 395 H VAL 49 H VAL 49 -11.169 7.697 1.947 396 HA VAL 49 HA VAL 49 -11.207 8.192 -0.828 397 HB VAL 49 HB VAL 49 -10.835 10.003 0.724 398 HG11 VAL 49 1HG1 VAL 49 -8.229 8.687 1.577 399 HG12 VAL 49 2HG1 VAL 49 -9.699 8.789 2.544 400 HG13 VAL 49 3HG1 VAL 49 -8.826 10.262 2.123 401 HG21 VAL 49 1HG2 VAL 49 -8.876 11.138 -0.225 402 HG22 VAL 49 2HG2 VAL 49 -9.779 10.293 -1.483 403 HG23 VAL 49 3HG2 VAL 49 -8.280 9.600 -0.865 404 H LEU 50 H LEU 50 -8.934 6.395 1.149 405 HA LEU 50 HA LEU 50 -7.028 6.083 -1.101 406 HB2 LEU 50 2HB LEU 50 -5.397 5.578 0.865 407 HB3 LEU 50 1HB LEU 50 -5.903 7.225 0.575 408 HG LEU 50 HG LEU 50 -7.706 6.790 2.430 409 HD11 LEU 50 1HD1 LEU 50 -7.125 5.173 4.123 410 HD12 LEU 50 2HD1 LEU 50 -5.752 4.614 3.168 411 HD13 LEU 50 3HD1 LEU 50 -7.398 4.375 2.577 412 HD21 LEU 50 1HD2 LEU 50 -4.782 7.085 3.189 413 HD22 LEU 50 2HD2 LEU 50 -6.158 7.479 4.218 414 HD23 LEU 50 3HD2 LEU 50 -5.883 8.386 2.732 415 H ARG 51 H ARG 51 -9.258 4.420 0.786 416 HA ARG 51 HA ARG 51 -7.962 1.804 0.729 417 HB2 ARG 51 2HB ARG 51 -9.234 2.515 2.725 418 HB3 ARG 51 1HB ARG 51 -10.691 2.700 1.772 419 HG2 ARG 51 2HG ARG 51 -9.467 -0.040 1.782 420 HG3 ARG 51 1HG ARG 51 -10.145 0.511 3.311 421 HD2 ARG 51 2HD ARG 51 -11.627 0.336 0.665 422 HD3 ARG 51 1HD ARG 51 -11.797 -0.773 2.031 423 HE ARG 51 HE ARG 51 -12.640 1.175 3.333 424 HH11 ARG 51 1HH1 ARG 51 -12.917 1.263 -0.167 425 HH12 ARG 51 2HH1 ARG 51 -14.262 2.361 -0.154 426 HH21 ARG 51 1HH2 ARG 51 -14.419 2.598 3.335 427 HH22 ARG 51 2HH2 ARG 51 -15.111 3.112 1.833 428 H GLU 52 H GLU 52 -10.555 3.604 -0.892 429 HA GLU 52 HA GLU 52 -11.567 1.549 -2.547 430 HB2 GLU 52 2HB GLU 52 -12.397 3.363 -4.000 431 HB3 GLU 52 1HB GLU 52 -12.687 3.727 -2.304 432 HG2 GLU 52 2HG GLU 52 -10.708 5.232 -2.298 433 HG3 GLU 52 1HG GLU 52 -10.465 4.892 -4.008 434 H GLN 53 H GLN 53 -8.701 3.574 -2.795 435 HA GLN 53 HA GLN 53 -7.840 2.107 -5.223 436 HB2 GLN 53 2HB GLN 53 -6.412 4.133 -5.705 437 HB3 GLN 53 1HB GLN 53 -8.145 4.404 -5.838 438 HG2 GLN 53 2HG GLN 53 -8.188 5.573 -3.718 439 HG3 GLN 53 1HG GLN 53 -6.500 5.170 -3.410 440 HE21 GLN 53 1HE2 GLN 53 -5.498 5.725 -6.038 441 HE22 GLN 53 2HE2 GLN 53 -5.543 7.439 -6.237 442 H ALA 54 H ALA 54 -7.552 1.185 -2.548 443 HA ALA 54 HA ALA 54 -4.802 1.379 -1.770 444 HB1 ALA 54 1HB ALA 54 -5.296 -0.548 -0.310 445 HB2 ALA 54 2HB ALA 54 -6.859 -0.759 -1.105 446 HB3 ALA 54 3HB ALA 54 -6.540 0.697 -0.163 447 H GLY 55 H GLY 55 -3.147 0.554 -2.863 448 HA2 GLY 55 2HA GLY 55 -1.882 -1.109 -3.948 449 HA3 GLY 55 1HA GLY 55 -3.361 -1.931 -4.432 450 H GLY 56 H GLY 56 -3.768 1.352 -4.990 451 HA2 GLY 56 2HA GLY 56 -3.590 1.132 -7.843 452 HA3 GLY 56 1HA GLY 56 -3.951 2.585 -6.922 453 H ASP 57 H ASP 57 -1.986 3.481 -5.684 454 HA ASP 57 HA ASP 57 0.643 3.030 -6.762 455 HB2 ASP 57 2HB ASP 57 -0.219 4.426 -8.601 456 HB3 ASP 57 1HB ASP 57 -0.810 5.633 -7.464 457 H ALA 58 H ALA 58 2.238 4.336 -5.704 458 HA ALA 58 HA ALA 58 1.443 5.670 -3.200 459 HB1 ALA 58 1HB ALA 58 3.512 4.851 -2.160 460 HB2 ALA 58 2HB ALA 58 3.927 3.961 -3.628 461 HB3 ALA 58 3HB ALA 58 2.513 3.496 -2.683 462 H THR 59 H THR 59 3.801 5.346 -5.866 463 HA THR 59 HA THR 59 5.871 6.936 -5.198 464 HB THR 59 HB THR 59 4.661 6.941 -7.996 465 HG1 THR 59 HG1 THR 59 4.969 4.881 -7.888 466 HG21 THR 59 1HG2 THR 59 6.997 7.106 -8.773 467 HG22 THR 59 2HG2 THR 59 7.567 7.152 -7.104 468 HG23 THR 59 3HG2 THR 59 6.595 8.481 -7.739 469 H GLU 60 H GLU 60 2.924 8.123 -6.734 470 HA GLU 60 HA GLU 60 3.583 10.931 -6.041 471 HB2 GLU 60 2HB GLU 60 3.370 10.391 -8.483 472 HB3 GLU 60 1HB GLU 60 1.727 9.829 -8.203 473 HG2 GLU 60 2HG GLU 60 1.090 12.122 -7.483 474 HG3 GLU 60 1HG GLU 60 2.734 12.668 -7.826 475 H ASN 61 H ASN 61 1.300 8.260 -5.767 476 HA ASN 61 HA ASN 61 -1.028 9.925 -5.329 477 HB2 ASN 61 2HB ASN 61 -1.111 7.782 -6.593 478 HB3 ASN 61 1HB ASN 61 -0.752 6.904 -5.114 479 HD21 ASN 61 1HD2 ASN 61 -2.432 6.397 -3.756 480 HD22 ASN 61 2HD2 ASN 61 -4.076 6.857 -4.025 481 H PHE 62 H PHE 62 1.355 8.627 -3.202 482 HA PHE 62 HA PHE 62 -0.236 8.237 -0.874 483 HB2 PHE 62 2HB PHE 62 1.952 8.359 0.402 484 HB3 PHE 62 1HB PHE 62 1.889 7.162 -0.877 485 HD1 PHE 62 HD1 PHE 62 4.244 6.844 -1.157 486 HD2 PHE 62 HD2 PHE 62 2.668 10.811 -1.431 487 HE1 PHE 62 HE1 PHE 62 6.404 7.662 -2.023 488 HE2 PHE 62 HE2 PHE 62 4.816 11.606 -2.284 489 HZ PHE 62 HZ PHE 62 6.687 10.037 -2.582 490 H GLU 63 H GLU 63 0.836 11.062 -2.432 491 HA GLU 63 HA GLU 63 0.508 12.852 -0.143 492 HB2 GLU 63 2HB GLU 63 2.391 13.260 -1.627 493 HB3 GLU 63 1HB GLU 63 1.347 13.310 -3.043 494 HG2 GLU 63 2HG GLU 63 0.352 15.396 -2.285 495 HG3 GLU 63 1HG GLU 63 1.233 15.296 -0.758 496 H ASP 64 H ASP 64 -1.031 12.042 -3.251 497 HA ASP 64 HA ASP 64 -3.131 13.896 -3.293 498 HB2 ASP 64 2HB ASP 64 -3.050 11.020 -4.321 499 HB3 ASP 64 1HB ASP 64 -4.374 12.128 -4.664 500 H VAL 65 H VAL 65 -2.965 10.678 -1.799 501 HA VAL 65 HA VAL 65 -5.680 10.906 -0.693 502 HB VAL 65 HB VAL 65 -5.502 8.544 -0.150 503 HG11 VAL 65 1HG1 VAL 65 -5.245 7.597 -2.420 504 HG12 VAL 65 2HG1 VAL 65 -4.479 9.095 -2.957 505 HG13 VAL 65 3HG1 VAL 65 -6.166 9.103 -2.433 506 HG21 VAL 65 1HG2 VAL 65 -3.156 8.389 0.559 507 HG22 VAL 65 2HG2 VAL 65 -2.609 8.650 -1.093 508 HG23 VAL 65 3HG2 VAL 65 -3.487 7.176 -0.681 509 H GLY 66 H GLY 66 -2.411 11.295 0.305 510 HA2 GLY 66 2HA GLY 66 -3.030 10.915 3.174 511 HA3 GLY 66 1HA GLY 66 -1.434 10.995 2.446 512 H PHE 67 H PHE 67 -0.428 12.708 3.246 513 HA PHE 67 HA PHE 67 -1.881 15.198 3.870 514 HB2 PHE 67 2HB PHE 67 1.024 15.064 4.598 515 HB3 PHE 67 1HB PHE 67 -0.338 15.595 5.565 516 HD1 PHE 67 HD1 PHE 67 -1.905 12.899 5.589 517 HD2 PHE 67 HD2 PHE 67 2.222 13.840 6.217 518 HE1 PHE 67 HE1 PHE 67 -1.658 10.896 6.997 519 HE2 PHE 67 HE2 PHE 67 2.454 11.836 7.618 520 HZ PHE 67 HZ PHE 67 0.524 10.363 8.005 521 H SER 68 H SER 68 0.105 17.096 3.578 522 HA SER 68 HA SER 68 0.378 17.424 0.711 523 HB2 SER 68 2HB SER 68 1.346 19.135 3.036 524 HB3 SER 68 1HB SER 68 1.370 19.623 1.341 525 HG SER 68 HG SER 68 -0.975 18.834 2.710 526 H THR 69 H THR 69 3.132 18.871 1.125 527 HA THR 69 HA THR 69 4.838 16.962 0.061 528 HB THR 69 HB THR 69 6.751 18.478 0.748 529 HG1 THR 69 HG1 THR 69 4.659 19.664 2.220 530 HG21 THR 69 1HG2 THR 69 6.052 20.424 -0.582 531 HG22 THR 69 2HG2 THR 69 4.366 19.920 -0.458 532 HG23 THR 69 3HG2 THR 69 5.521 18.926 -1.347 533 H ASP 70 H ASP 70 4.025 17.405 3.391 534 HA ASP 70 HA ASP 70 6.143 16.102 4.705 535 HB2 ASP 70 2HB ASP 70 4.401 17.542 5.789 536 HB3 ASP 70 1HB ASP 70 3.209 16.274 5.531 537 H ALA 71 H ALA 71 3.162 14.853 3.236 538 HA ALA 71 HA ALA 71 3.120 12.222 4.186 539 HB1 ALA 71 1HB ALA 71 2.234 13.221 1.460 540 HB2 ALA 71 2HB ALA 71 1.268 13.221 2.933 541 HB3 ALA 71 3HB ALA 71 1.756 11.690 2.214 542 H ARG 72 H ARG 72 5.007 13.683 1.649 543 HA ARG 72 HA ARG 72 5.719 11.418 0.146 544 HB2 ARG 72 2HB ARG 72 7.215 14.052 0.456 545 HB3 ARG 72 1HB ARG 72 7.401 12.903 -0.870 546 HG2 ARG 72 2HG ARG 72 5.121 13.327 -1.632 547 HG3 ARG 72 1HG ARG 72 4.814 14.363 -0.233 548 HD2 ARG 72 2HD ARG 72 5.240 15.711 -2.231 549 HD3 ARG 72 1HD ARG 72 6.510 15.957 -1.033 550 HE ARG 72 HE ARG 72 8.006 14.699 -2.369 551 HH11 ARG 72 1HH1 ARG 72 4.945 15.316 -3.993 552 HH12 ARG 72 2HH1 ARG 72 5.583 14.992 -5.576 553 HH21 ARG 72 1HH2 ARG 72 8.821 14.240 -4.421 554 HH22 ARG 72 2HH2 ARG 72 7.789 14.381 -5.811 555 H GLU 73 H GLU 73 6.915 12.551 3.178 556 HA GLU 73 HA GLU 73 9.347 10.889 3.075 557 HB2 GLU 73 2HB GLU 73 8.408 12.925 5.145 558 HB3 GLU 73 1HB GLU 73 9.944 12.062 5.193 559 HG2 GLU 73 2HG GLU 73 10.647 13.155 3.091 560 HG3 GLU 73 1HG GLU 73 9.095 13.984 2.997 561 H LEU 74 H LEU 74 6.326 11.306 4.948 562 HA LEU 74 HA LEU 74 6.867 9.343 6.923 563 HB2 LEU 74 2HB LEU 74 4.352 10.775 6.056 564 HB3 LEU 74 1HB LEU 74 4.216 9.411 7.149 565 HG LEU 74 HG LEU 74 4.215 11.496 8.415 566 HD11 LEU 74 1HD1 LEU 74 5.986 11.025 10.044 567 HD12 LEU 74 2HD1 LEU 74 6.803 9.971 8.889 568 HD13 LEU 74 3HD1 LEU 74 5.209 9.536 9.508 569 HD21 LEU 74 1HD2 LEU 74 5.462 12.943 6.885 570 HD22 LEU 74 2HD2 LEU 74 6.956 12.074 7.246 571 HD23 LEU 74 3HD2 LEU 74 6.148 13.006 8.508 572 H SER 75 H SER 75 5.076 9.156 3.885 573 HA SER 75 HA SER 75 3.957 6.602 4.112 574 HB2 SER 75 2HB SER 75 3.848 6.715 1.604 575 HB3 SER 75 1HB SER 75 3.285 8.195 2.389 576 HG SER 75 HG SER 75 4.785 9.213 1.341 577 H LYS 76 H LYS 76 7.147 7.635 3.098 578 HA LYS 76 HA LYS 76 8.011 5.229 1.864 579 HB2 LYS 76 2HB LYS 76 9.640 7.539 2.985 580 HB3 LYS 76 1HB LYS 76 10.242 6.302 1.886 581 HG2 LYS 76 2HG LYS 76 8.073 8.331 1.256 582 HG3 LYS 76 1HG LYS 76 9.745 8.402 0.706 583 HD2 LYS 76 2HD LYS 76 7.750 6.220 -0.040 584 HD3 LYS 76 1HD LYS 76 8.193 7.587 -1.064 585 HE2 LYS 76 2HE LYS 76 10.040 5.365 -0.130 586 HE3 LYS 76 1HE LYS 76 9.431 5.603 -1.767 587 HZ1 LYS 76 1HZ LYS 76 11.656 6.416 -1.612 588 HZ2 LYS 76 2HZ LYS 76 11.285 7.391 -0.289 589 HZ3 LYS 76 3HZ LYS 76 10.630 7.742 -1.809 590 H LYS 77 H LYS 77 8.342 6.488 5.182 591 HA LYS 77 HA LYS 77 10.057 4.297 6.022 592 HB2 LYS 77 2HB LYS 77 9.903 5.246 8.281 593 HB3 LYS 77 1HB LYS 77 10.320 6.481 7.102 594 HG2 LYS 77 2HG LYS 77 8.038 7.351 7.140 595 HG3 LYS 77 1HG LYS 77 7.537 6.069 8.242 596 HD2 LYS 77 2HD LYS 77 9.605 8.212 8.884 597 HD3 LYS 77 1HD LYS 77 7.918 8.246 9.396 598 HE2 LYS 77 2HE LYS 77 8.273 6.169 10.697 599 HE3 LYS 77 1HE LYS 77 9.963 6.139 10.187 600 HZ1 LYS 77 1HZ LYS 77 10.306 8.239 11.321 601 HZ2 LYS 77 2HZ LYS 77 9.703 7.085 12.400 602 HZ3 LYS 77 3HZ LYS 77 8.689 8.292 11.788 603 H TYR 78 H TYR 78 6.744 4.592 5.451 604 HA TYR 78 HA TYR 78 5.875 2.530 7.311 605 HB2 TYR 78 2HB TYR 78 4.521 4.166 5.153 606 HB3 TYR 78 1HB TYR 78 3.756 2.664 5.655 607 HD1 TYR 78 HD1 TYR 78 4.020 6.146 6.382 608 HD2 TYR 78 HD2 TYR 78 3.387 2.352 8.230 609 HE1 TYR 78 HE1 TYR 78 2.944 7.256 8.291 610 HE2 TYR 78 HE2 TYR 78 2.313 3.458 10.131 611 HH TYR 78 HH TYR 78 1.218 6.567 10.103 612 H ILE 79 H ILE 79 7.968 2.110 4.918 613 HA ILE 79 HA ILE 79 6.787 0.180 3.234 614 HB ILE 79 HB ILE 79 8.858 1.174 2.511 615 HG12 ILE 79 2HG1 ILE 79 9.245 -1.806 3.071 616 HG13 ILE 79 1HG1 ILE 79 8.400 -1.114 1.695 617 HG21 ILE 79 1HG2 ILE 79 9.930 1.631 4.673 618 HG22 ILE 79 2HG2 ILE 79 11.048 0.819 3.576 619 HG23 ILE 79 3HG2 ILE 79 10.277 -0.087 4.880 620 HD11 ILE 79 1HD1 ILE 79 11.351 -0.941 2.267 621 HD12 ILE 79 2HD1 ILE 79 10.531 -0.164 0.910 622 HD13 ILE 79 3HD1 ILE 79 10.552 -1.921 1.039 623 H ILE 80 H ILE 80 5.791 -1.502 3.980 624 HA ILE 80 HA ILE 80 6.571 -2.918 6.418 625 HB ILE 80 HB ILE 80 4.226 -2.266 6.133 626 HG12 ILE 80 2HG1 ILE 80 4.494 -5.305 5.962 627 HG13 ILE 80 1HG1 ILE 80 4.744 -4.350 7.420 628 HG21 ILE 80 1HG2 ILE 80 4.065 -2.276 3.684 629 HG22 ILE 80 2HG2 ILE 80 2.762 -3.233 4.392 630 HG23 ILE 80 3HG2 ILE 80 4.153 -4.039 3.665 631 HD11 ILE 80 1HD1 ILE 80 2.159 -4.595 5.894 632 HD12 ILE 80 2HD1 ILE 80 2.414 -3.646 7.361 633 HD13 ILE 80 3HD1 ILE 80 2.569 -5.401 7.408 634 H GLY 81 H GLY 81 6.609 -3.296 2.951 635 HA2 GLY 81 2HA GLY 81 8.507 -5.368 2.965 636 HA3 GLY 81 1HA GLY 81 6.903 -6.092 2.733 637 H GLU 82 H GLU 82 7.603 -6.790 0.665 638 HA GLU 82 HA GLU 82 7.491 -4.688 -1.417 639 HB2 GLU 82 2HB GLU 82 8.604 -6.225 -2.953 640 HB3 GLU 82 1HB GLU 82 9.589 -6.022 -1.510 641 HG2 GLU 82 2HG GLU 82 9.178 -8.207 -0.743 642 HG3 GLU 82 1HG GLU 82 7.719 -8.390 -1.710 643 H LEU 83 H LEU 83 5.978 -4.891 -3.008 644 HA LEU 83 HA LEU 83 3.818 -6.797 -2.849 645 HB2 LEU 83 2HB LEU 83 3.843 -4.304 -3.729 646 HB3 LEU 83 1HB LEU 83 4.450 -4.991 -5.222 647 HG LEU 83 HG LEU 83 1.960 -4.485 -5.156 648 HD11 LEU 83 1HD1 LEU 83 2.826 -6.026 -6.844 649 HD12 LEU 83 2HD1 LEU 83 1.199 -6.463 -6.330 650 HD13 LEU 83 3HD1 LEU 83 2.590 -7.381 -5.740 651 HD21 LEU 83 1HD2 LEU 83 1.518 -5.171 -2.859 652 HD22 LEU 83 2HD2 LEU 83 1.845 -6.857 -3.275 653 HD23 LEU 83 3HD2 LEU 83 0.462 -6.024 -3.986 654 H HIS 84 H HIS 84 3.444 -8.498 -4.409 655 HA HIS 84 HA HIS 84 5.701 -9.928 -5.346 656 HB2 HIS 84 2HB HIS 84 2.714 -10.290 -5.681 657 HB3 HIS 84 1HB HIS 84 3.804 -11.263 -6.663 658 HD1 HIS 84 HD1 HIS 84 2.562 -13.217 -5.257 659 HD2 HIS 84 HD2 HIS 84 5.272 -10.855 -3.165 660 HE1 HIS 84 HE1 HIS 84 3.148 -14.523 -3.191 661 HE2 HIS 84 HE2 HIS 84 4.822 -13.099 -1.973 662 HA PRO 85 HA PRO 85 6.402 -7.703 -9.249 663 HB2 PRO 85 2HB PRO 85 7.947 -9.742 -10.423 664 HB3 PRO 85 1HB PRO 85 8.571 -8.468 -9.361 665 HG2 PRO 85 2HG PRO 85 7.841 -11.290 -8.685 666 HG3 PRO 85 1HG PRO 85 9.212 -10.313 -8.113 667 HD2 PRO 85 2HD PRO 85 7.057 -10.734 -6.562 668 HD3 PRO 85 1HD PRO 85 7.908 -9.172 -6.535 669 H ASP 86 H ASP 86 5.079 -10.946 -8.947 670 HA ASP 86 HA ASP 86 4.081 -11.248 -11.606 671 HB2 ASP 86 2HB ASP 86 4.428 -13.187 -10.145 672 HB3 ASP 86 1HB ASP 86 3.279 -12.552 -8.971 673 H ASP 87 H ASP 87 2.734 -10.000 -8.584 674 HA ASP 87 HA ASP 87 0.014 -9.929 -9.554 675 HB2 ASP 87 2HB ASP 87 1.357 -9.245 -6.937 676 HB3 ASP 87 1HB ASP 87 -0.233 -8.572 -7.246 677 H ARG 88 H ARG 88 2.586 -7.531 -9.105 678 HA ARG 88 HA ARG 88 0.956 -5.223 -9.422 679 HB2 ARG 88 2HB ARG 88 3.079 -3.993 -9.781 680 HB3 ARG 88 1HB ARG 88 3.161 -5.069 -8.398 681 HG2 ARG 88 2HG ARG 88 5.254 -5.383 -9.379 682 HG3 ARG 88 1HG ARG 88 4.335 -6.738 -10.030 683 HD2 ARG 88 2HD ARG 88 3.981 -5.433 -12.133 684 HD3 ARG 88 1HD ARG 88 4.967 -4.134 -11.468 685 HE ARG 88 HE ARG 88 6.196 -6.782 -11.705 686 HH11 ARG 88 1HH1 ARG 88 5.837 -3.556 -13.080 687 HH12 ARG 88 2HH1 ARG 88 7.264 -3.692 -14.061 688 HH21 ARG 88 1HH2 ARG 88 8.074 -6.909 -12.961 689 HH22 ARG 88 2HH2 ARG 88 8.528 -5.586 -13.992 690 H SER 89 H SER 89 2.260 -7.485 -11.695 691 HA SER 89 HA SER 89 1.664 -5.814 -14.045 692 HB2 SER 89 2HB SER 89 2.856 -7.683 -15.264 693 HB3 SER 89 1HB SER 89 3.840 -6.895 -14.028 694 HG SER 89 HG SER 89 2.433 -9.343 -13.724 695 H LYS 90 H LYS 90 0.569 -8.681 -12.326 696 HA LYS 90 HA LYS 90 -1.165 -9.762 -14.347 697 HB2 LYS 90 2HB LYS 90 -0.237 -11.197 -12.613 698 HB3 LYS 90 1HB LYS 90 -0.951 -10.215 -11.343 699 HG2 LYS 90 2HG LYS 90 -3.211 -10.980 -12.015 700 HG3 LYS 90 1HG LYS 90 -2.498 -11.944 -13.316 701 HD2 LYS 90 2HD LYS 90 -3.022 -13.345 -11.324 702 HD3 LYS 90 1HD LYS 90 -1.292 -13.332 -11.669 703 HE2 LYS 90 2HE LYS 90 -1.088 -11.488 -9.903 704 HE3 LYS 90 1HE LYS 90 -2.755 -11.846 -9.461 705 HZ1 LYS 90 1HZ LYS 90 -2.126 -14.056 -8.860 706 HZ2 LYS 90 2HZ LYS 90 -1.071 -12.983 -8.086 707 HZ3 LYS 90 3HZ LYS 90 -0.559 -13.840 -9.452 708 H ILE 91 H ILE 91 -1.871 -8.203 -11.217 709 HA ILE 91 HA ILE 91 -4.539 -7.377 -12.110 710 HB ILE 91 HB ILE 91 -3.373 -6.865 -9.331 711 HG12 ILE 91 2HG1 ILE 91 -4.573 -9.512 -10.278 712 HG13 ILE 91 1HG1 ILE 91 -2.906 -9.252 -9.797 713 HG21 ILE 91 1HG2 ILE 91 -6.226 -7.438 -10.253 714 HG22 ILE 91 2HG2 ILE 91 -5.574 -5.852 -9.840 715 HG23 ILE 91 3HG2 ILE 91 -5.732 -7.088 -8.594 716 HD11 ILE 91 1HD1 ILE 91 -4.128 -10.387 -8.066 717 HD12 ILE 91 2HD1 ILE 91 -5.313 -9.086 -7.992 718 HD13 ILE 91 3HD1 ILE 91 -3.641 -8.789 -7.505 719 H ALA 92 H ALA 92 -2.109 -6.184 -13.275 720 HA ALA 92 HA ALA 92 -1.472 -3.619 -12.398 721 HB1 ALA 92 1HB ALA 92 -0.271 -4.800 -14.192 722 HB2 ALA 92 2HB ALA 92 -0.765 -3.189 -14.716 723 HB3 ALA 92 3HB ALA 92 -1.661 -4.612 -15.264 724 H LYS 93 H LYS 93 -4.256 -4.794 -14.158 725 HA LYS 93 HA LYS 93 -5.586 -2.169 -13.989 726 HB2 LYS 93 2HB LYS 93 -6.621 -4.678 -15.394 727 HB3 LYS 93 1HB LYS 93 -7.300 -3.062 -15.468 728 HG2 LYS 93 2HG LYS 93 -6.240 -3.363 -17.553 729 HG3 LYS 93 1HG LYS 93 -5.134 -2.341 -16.637 730 HD2 LYS 93 2HD LYS 93 -3.934 -4.098 -17.916 731 HD3 LYS 93 1HD LYS 93 -3.680 -4.272 -16.178 732 HE2 LYS 93 2HE LYS 93 -4.057 -6.461 -17.245 733 HE3 LYS 93 1HE LYS 93 -5.359 -6.091 -16.115 734 HZ1 LYS 93 1HZ LYS 93 -6.234 -7.003 -18.147 735 HZ2 LYS 93 2HZ LYS 93 -5.458 -5.818 -19.073 736 HZ3 LYS 93 3HZ LYS 93 -6.709 -5.385 -18.023 737 HA PRO 94 HA PRO 94 -6.693 -4.559 -10.223 738 HB2 PRO 94 2HB PRO 94 -7.123 -2.431 -8.564 739 HB3 PRO 94 1HB PRO 94 -5.496 -2.978 -9.008 740 HG2 PRO 94 2HG PRO 94 -7.081 -0.696 -10.133 741 HG3 PRO 94 1HG PRO 94 -5.361 -0.756 -9.688 742 HD2 PRO 94 2HD PRO 94 -6.244 -1.008 -12.258 743 HD3 PRO 94 1HD PRO 94 -4.750 -1.767 -11.665 744 H SER 95 H SER 95 -8.623 -5.044 -9.142 745 HA SER 95 HA SER 95 -10.910 -4.864 -10.840 746 HB2 SER 95 2HB SER 95 -10.324 -6.950 -9.658 747 HB3 SER 95 1HB SER 95 -10.540 -6.158 -8.097 748 HG SER 95 HG SER 95 -12.701 -6.043 -8.452 749 H GLU 96 H GLU 96 -10.432 -4.029 -7.388 750 HA GLU 96 HA GLU 96 -12.722 -2.155 -7.517 751 HB2 GLU 96 2HB GLU 96 -11.436 -3.425 -5.047 752 HB3 GLU 96 1HB GLU 96 -12.904 -2.453 -5.089 753 HG2 GLU 96 2HG GLU 96 -13.944 -4.260 -6.541 754 HG3 GLU 96 1HG GLU 96 -12.510 -5.235 -6.221 755 H THR 97 H THR 97 -10.646 -1.020 -8.685 756 HA THR 97 HA THR 97 -9.879 1.063 -6.802 757 HB THR 97 HB THR 97 -7.793 -0.689 -8.144 758 HG1 THR 97 HG1 THR 97 -8.636 -0.119 -5.569 759 HG21 THR 97 1HG2 THR 97 -7.330 2.085 -6.992 760 HG22 THR 97 2HG2 THR 97 -7.092 1.604 -8.671 761 HG23 THR 97 3HG2 THR 97 -6.056 0.940 -7.408 762 H LEU 98 H LEU 98 -8.888 0.026 -10.094 763 HA LEU 98 HA LEU 98 -10.443 1.994 -11.419 764 HB2 LEU 98 2HB LEU 98 -8.428 3.285 -10.257 765 HB3 LEU 98 1HB LEU 98 -7.469 2.641 -11.571 766 HG LEU 98 HG LEU 98 -9.938 4.380 -12.003 767 HD11 LEU 98 1HD1 LEU 98 -7.037 5.284 -11.932 768 HD12 LEU 98 2HD1 LEU 98 -8.280 5.669 -10.738 769 HD13 LEU 98 3HD1 LEU 98 -8.426 6.279 -12.385 770 HD21 LEU 98 1HD2 LEU 98 -7.684 3.645 -13.901 771 HD22 LEU 98 2HD2 LEU 98 -9.023 4.739 -14.262 772 HD23 LEU 98 3HD2 LEU 98 -9.338 3.032 -13.959 Start of MODEL 13 1 H1 ALA 1 1H ALA 1 8.225 -15.671 11.971 2 H2 ALA 1 2H ALA 1 9.077 -15.577 13.423 3 H3 ALA 1 3H ALA 1 7.997 -16.848 13.163 4 HA ALA 1 HA ALA 1 10.255 -17.595 12.925 5 HB1 ALA 1 1HB ALA 1 10.017 -18.662 10.716 6 HB2 ALA 1 2HB ALA 1 8.749 -17.509 10.287 7 HB3 ALA 1 3HB ALA 1 8.484 -18.669 11.590 8 H GLU 2 H GLU 2 12.140 -17.677 11.427 9 HA GLU 2 HA GLU 2 13.188 -15.001 10.897 10 HB2 GLU 2 2HB GLU 2 15.361 -16.198 10.587 11 HB3 GLU 2 1HB GLU 2 14.603 -16.569 12.131 12 HG2 GLU 2 2HG GLU 2 13.785 -18.719 11.191 13 HG3 GLU 2 1HG GLU 2 14.593 -18.344 9.671 14 H GLN 3 H GLN 3 11.118 -15.995 9.143 15 HA GLN 3 HA GLN 3 12.002 -16.944 6.634 16 HB2 GLN 3 2HB GLN 3 9.703 -16.231 5.878 17 HB3 GLN 3 1HB GLN 3 9.698 -17.214 7.338 18 HG2 GLN 3 2HG GLN 3 9.447 -15.116 8.697 19 HG3 GLN 3 1HG GLN 3 9.313 -14.206 7.181 20 HE21 GLN 3 1HE2 GLN 3 7.214 -13.528 7.943 21 HE22 GLN 3 2HE2 GLN 3 5.848 -14.571 7.776 22 H SER 4 H SER 4 11.452 -15.624 4.578 23 HA SER 4 HA SER 4 13.244 -13.499 4.206 24 HB2 SER 4 2HB SER 4 12.013 -13.201 1.999 25 HB3 SER 4 1HB SER 4 12.561 -14.844 2.316 26 HG SER 4 HG SER 4 9.921 -13.971 2.927 27 H ASP 5 H ASP 5 9.901 -13.570 5.163 28 HA ASP 5 HA ASP 5 9.171 -10.894 4.585 29 HB2 ASP 5 2HB ASP 5 7.944 -12.866 6.553 30 HB3 ASP 5 1HB ASP 5 7.178 -11.390 5.983 31 H LYS 6 H LYS 6 10.891 -12.310 7.260 32 HA LYS 6 HA LYS 6 10.704 -10.311 9.223 33 HB2 LYS 6 2HB LYS 6 11.824 -12.387 9.728 34 HB3 LYS 6 1HB LYS 6 12.973 -12.170 8.415 35 HG2 LYS 6 2HG LYS 6 13.993 -10.262 9.658 36 HG3 LYS 6 1HG LYS 6 12.858 -10.551 10.983 37 HD2 LYS 6 2HD LYS 6 15.047 -11.564 11.474 38 HD3 LYS 6 1HD LYS 6 13.804 -12.805 11.319 39 HE2 LYS 6 2HE LYS 6 15.852 -13.526 10.209 40 HE3 LYS 6 1HE LYS 6 14.587 -13.278 9.008 41 HZ1 LYS 6 1HZ LYS 6 16.797 -12.391 8.393 42 HZ2 LYS 6 2HZ LYS 6 16.676 -11.273 9.651 43 HZ3 LYS 6 3HZ LYS 6 15.574 -11.224 8.367 44 H ASP 7 H ASP 7 12.731 -10.562 6.361 45 HA ASP 7 HA ASP 7 14.093 -8.027 6.802 46 HB2 ASP 7 2HB ASP 7 14.194 -9.913 4.394 47 HB3 ASP 7 1HB ASP 7 15.321 -8.602 4.740 48 H VAL 8 H VAL 8 11.590 -9.380 4.692 49 HA VAL 8 HA VAL 8 10.428 -6.867 4.036 50 HB VAL 8 HB VAL 8 12.379 -6.671 2.566 51 HG11 VAL 8 1HG1 VAL 8 11.534 -9.257 1.223 52 HG12 VAL 8 2HG1 VAL 8 12.956 -9.023 2.242 53 HG13 VAL 8 3HG1 VAL 8 12.837 -8.190 0.690 54 HG21 VAL 8 1HG2 VAL 8 9.855 -7.172 0.960 55 HG22 VAL 8 2HG2 VAL 8 11.254 -6.242 0.418 56 HG23 VAL 8 3HG2 VAL 8 10.295 -5.674 1.785 57 H LYS 9 H LYS 9 8.285 -7.316 3.878 58 HA LYS 9 HA LYS 9 7.417 -10.083 3.845 59 HB2 LYS 9 2HB LYS 9 5.860 -7.498 4.268 60 HB3 LYS 9 1HB LYS 9 5.160 -9.111 4.412 61 HG2 LYS 9 2HG LYS 9 6.748 -9.642 6.226 62 HG3 LYS 9 1HG LYS 9 7.443 -8.026 6.092 63 HD2 LYS 9 2HD LYS 9 5.298 -7.033 6.805 64 HD3 LYS 9 1HD LYS 9 4.569 -8.644 6.889 65 HE2 LYS 9 2HE LYS 9 6.156 -9.286 8.658 66 HE3 LYS 9 1HE LYS 9 6.931 -7.705 8.558 67 HZ1 LYS 9 1HZ LYS 9 4.124 -8.205 9.373 68 HZ2 LYS 9 2HZ LYS 9 4.864 -6.690 9.289 69 HZ3 LYS 9 3HZ LYS 9 5.399 -7.839 10.409 70 H TYR 10 H TYR 10 6.679 -11.158 2.189 71 HA TYR 10 HA TYR 10 6.459 -9.883 -0.421 72 HB2 TYR 10 2HB TYR 10 6.592 -12.750 0.561 73 HB3 TYR 10 1HB TYR 10 6.159 -12.394 -1.109 74 HD1 TYR 10 HD1 TYR 10 8.869 -11.916 1.432 75 HD2 TYR 10 HD2 TYR 10 7.818 -11.826 -2.707 76 HE1 TYR 10 HE1 TYR 10 11.237 -11.635 0.831 77 HE2 TYR 10 HE2 TYR 10 10.175 -11.553 -3.306 78 HH TYR 10 HH TYR 10 12.247 -10.589 -2.130 79 H TYR 11 H TYR 11 4.614 -8.851 -0.697 80 HA TYR 11 HA TYR 11 2.016 -9.997 0.035 81 HB2 TYR 11 2HB TYR 11 3.053 -7.237 -0.594 82 HB3 TYR 11 1HB TYR 11 1.366 -7.559 -0.958 83 HD1 TYR 11 HD1 TYR 11 -0.183 -7.079 0.665 84 HD2 TYR 11 HD2 TYR 11 3.793 -8.036 1.922 85 HE1 TYR 11 HE1 TYR 11 -0.828 -6.691 2.985 86 HE2 TYR 11 HE2 TYR 11 3.137 -7.638 4.261 87 HH TYR 11 HH TYR 11 -0.167 -7.280 5.189 88 H THR 12 H THR 12 0.405 -10.378 -1.375 89 HA THR 12 HA THR 12 0.851 -10.207 -4.290 90 HB THR 12 HB THR 12 -1.258 -11.504 -4.511 91 HG1 THR 12 HG1 THR 12 -1.470 -10.907 -1.788 92 HG21 THR 12 1HG2 THR 12 -0.661 -13.632 -3.428 93 HG22 THR 12 2HG2 THR 12 0.527 -12.796 -2.425 94 HG23 THR 12 3HG2 THR 12 0.750 -12.881 -4.176 95 H LEU 13 H LEU 13 -0.288 -8.705 -5.449 96 HA LEU 13 HA LEU 13 -1.755 -6.608 -4.194 97 HB2 LEU 13 2HB LEU 13 -0.334 -6.528 -6.382 98 HB3 LEU 13 1HB LEU 13 -1.769 -7.143 -7.183 99 HG LEU 13 HG LEU 13 -3.034 -5.121 -6.507 100 HD11 LEU 13 1HD1 LEU 13 -1.882 -3.225 -5.417 101 HD12 LEU 13 2HD1 LEU 13 -0.445 -4.222 -5.194 102 HD13 LEU 13 3HD1 LEU 13 -1.950 -4.640 -4.370 103 HD21 LEU 13 1HD2 LEU 13 -0.378 -4.420 -7.814 104 HD22 LEU 13 2HD2 LEU 13 -1.867 -3.475 -7.913 105 HD23 LEU 13 3HD2 LEU 13 -1.792 -5.076 -8.645 106 H GLU 14 H GLU 14 -2.624 -9.746 -5.064 107 HA GLU 14 HA GLU 14 -5.409 -9.424 -5.631 108 HB2 GLU 14 2HB GLU 14 -3.851 -11.475 -6.057 109 HB3 GLU 14 1HB GLU 14 -4.106 -11.887 -4.370 110 HG2 GLU 14 2HG GLU 14 -6.288 -11.650 -6.471 111 HG3 GLU 14 1HG GLU 14 -5.545 -13.160 -5.961 112 H GLU 15 H GLU 15 -3.521 -10.239 -2.703 113 HA GLU 15 HA GLU 15 -5.612 -10.256 -0.810 114 HB2 GLU 15 2HB GLU 15 -3.392 -11.185 -0.327 115 HB3 GLU 15 1HB GLU 15 -2.657 -9.593 -0.458 116 HG2 GLU 15 2HG GLU 15 -3.924 -8.865 1.560 117 HG3 GLU 15 1HG GLU 15 -4.627 -10.479 1.679 118 H ILE 16 H ILE 16 -3.548 -7.637 -2.016 119 HA ILE 16 HA ILE 16 -4.618 -5.610 -0.303 120 HB ILE 16 HB ILE 16 -3.096 -5.229 -2.923 121 HG12 ILE 16 2HG1 ILE 16 -2.032 -5.422 -0.061 122 HG13 ILE 16 1HG1 ILE 16 -1.794 -6.624 -1.325 123 HG21 ILE 16 1HG2 ILE 16 -2.534 -2.994 -2.016 124 HG22 ILE 16 2HG2 ILE 16 -3.502 -3.325 -0.580 125 HG23 ILE 16 3HG2 ILE 16 -4.285 -3.193 -2.155 126 HD11 ILE 16 1HD1 ILE 16 0.185 -5.332 -1.059 127 HD12 ILE 16 2HD1 ILE 16 -0.708 -3.825 -1.264 128 HD13 ILE 16 3HD1 ILE 16 -0.540 -4.947 -2.619 129 H GLN 17 H GLN 17 -5.440 -6.834 -3.555 130 HA GLN 17 HA GLN 17 -7.203 -4.806 -4.431 131 HB2 GLN 17 2HB GLN 17 -6.322 -7.060 -5.617 132 HB3 GLN 17 1HB GLN 17 -7.847 -7.714 -5.057 133 HG2 GLN 17 2HG GLN 17 -7.392 -5.448 -7.015 134 HG3 GLN 17 1HG GLN 17 -8.091 -7.024 -7.344 135 HE21 GLN 17 1HE2 GLN 17 -10.231 -7.444 -6.553 136 HE22 GLN 17 2HE2 GLN 17 -11.334 -6.138 -6.301 137 H LYS 18 H LYS 18 -7.566 -7.401 -2.145 138 HA LYS 18 HA LYS 18 -10.373 -7.089 -1.619 139 HB2 LYS 18 2HB LYS 18 -8.854 -9.158 -1.285 140 HB3 LYS 18 1HB LYS 18 -8.294 -8.380 0.185 141 HG2 LYS 18 2HG LYS 18 -10.516 -8.499 1.160 142 HG3 LYS 18 1HG LYS 18 -11.197 -9.099 -0.352 143 HD2 LYS 18 2HD LYS 18 -9.058 -10.603 1.209 144 HD3 LYS 18 1HD LYS 18 -10.779 -10.849 1.473 145 HE2 LYS 18 2HE LYS 18 -9.952 -12.604 0.018 146 HE3 LYS 18 1HE LYS 18 -11.012 -11.555 -0.916 147 HZ1 LYS 18 1HZ LYS 18 -8.951 -12.244 -2.080 148 HZ2 LYS 18 2HZ LYS 18 -8.043 -11.364 -0.959 149 HZ3 LYS 18 3HZ LYS 18 -9.131 -10.566 -1.978 150 H HIS 19 H HIS 19 -8.807 -4.606 -1.497 151 HA HIS 19 HA HIS 19 -8.842 -3.597 1.170 152 HB2 HIS 19 2HB HIS 19 -8.592 -1.344 -0.010 153 HB3 HIS 19 1HB HIS 19 -7.345 -2.519 -0.380 154 HD1 HIS 19 HD1 HIS 19 -6.932 -3.006 -2.832 155 HD2 HIS 19 HD2 HIS 19 -10.451 -0.905 -2.248 156 HE1 HIS 19 HE1 HIS 19 -7.756 -2.412 -5.111 157 HE2 HIS 19 HE2 HIS 19 -9.789 -1.018 -4.721 158 H LYS 20 H LYS 20 -11.008 -4.436 1.728 159 HA LYS 20 HA LYS 20 -13.042 -2.349 1.208 160 HB2 LYS 20 2HB LYS 20 -13.704 -5.331 1.389 161 HB3 LYS 20 1HB LYS 20 -14.868 -4.025 1.266 162 HG2 LYS 20 2HG LYS 20 -14.855 -4.739 -0.934 163 HG3 LYS 20 1HG LYS 20 -13.592 -3.509 -1.017 164 HD2 LYS 20 2HD LYS 20 -11.885 -5.327 -0.686 165 HD3 LYS 20 1HD LYS 20 -13.192 -6.509 -0.740 166 HE2 LYS 20 2HE LYS 20 -12.132 -6.435 -2.902 167 HE3 LYS 20 1HE LYS 20 -13.736 -5.724 -3.054 168 HZ1 LYS 20 1HZ LYS 20 -11.151 -4.274 -2.913 169 HZ2 LYS 20 2HZ LYS 20 -12.661 -3.515 -2.889 170 HZ3 LYS 20 3HZ LYS 20 -12.178 -4.394 -4.247 171 H ASP 21 H ASP 21 -11.000 -2.877 3.294 172 HA ASP 21 HA ASP 21 -12.655 -2.239 5.572 173 HB2 ASP 21 2HB ASP 21 -12.424 -4.830 5.519 174 HB3 ASP 21 1HB ASP 21 -10.729 -4.581 5.917 175 H SER 22 H SER 22 -11.232 -1.563 7.462 176 HA SER 22 HA SER 22 -9.305 0.322 6.495 177 HB2 SER 22 2HB SER 22 -10.029 -0.419 9.364 178 HB3 SER 22 1HB SER 22 -9.155 1.032 8.857 179 HG SER 22 HG SER 22 -10.997 1.926 8.446 180 H LYS 23 H LYS 23 -9.115 -2.711 8.351 181 HA LYS 23 HA LYS 23 -6.255 -2.468 8.773 182 HB2 LYS 23 2HB LYS 23 -6.379 -4.785 9.763 183 HB3 LYS 23 1HB LYS 23 -7.372 -3.576 10.551 184 HG2 LYS 23 2HG LYS 23 -8.621 -5.602 10.529 185 HG3 LYS 23 1HG LYS 23 -9.371 -4.516 9.365 186 HD2 LYS 23 2HD LYS 23 -9.305 -6.828 8.521 187 HD3 LYS 23 1HD LYS 23 -8.336 -5.758 7.506 188 HE2 LYS 23 2HE LYS 23 -6.291 -6.575 8.715 189 HE3 LYS 23 1HE LYS 23 -7.310 -7.722 9.589 190 HZ1 LYS 23 1HZ LYS 23 -7.933 -8.714 7.460 191 HZ2 LYS 23 2HZ LYS 23 -6.256 -8.759 7.687 192 HZ3 LYS 23 3HZ LYS 23 -6.934 -7.617 6.642 193 H SER 24 H SER 24 -8.234 -3.642 6.245 194 HA SER 24 HA SER 24 -5.874 -4.804 4.889 195 HB2 SER 24 2HB SER 24 -8.847 -5.135 4.302 196 HB3 SER 24 1HB SER 24 -7.549 -5.787 3.288 197 HG SER 24 HG SER 24 -8.452 -7.261 4.881 198 H THR 25 H THR 25 -5.183 -2.520 4.762 199 HA THR 25 HA THR 25 -5.942 -1.449 2.143 200 HB THR 25 HB THR 25 -5.756 0.346 4.617 201 HG1 THR 25 HG1 THR 25 -7.774 -0.914 4.281 202 HG21 THR 25 1HG2 THR 25 -6.443 1.082 1.742 203 HG22 THR 25 2HG2 THR 25 -4.905 1.428 2.531 204 HG23 THR 25 3HG2 THR 25 -6.385 2.185 3.120 205 H TRP 26 H TRP 26 -4.114 -1.380 1.048 206 HA TRP 26 HA TRP 26 -1.568 -0.463 2.195 207 HB2 TRP 26 2HB TRP 26 -1.822 -3.075 0.613 208 HB3 TRP 26 1HB TRP 26 -0.322 -2.355 1.177 209 HD1 TRP 26 HD TRP 26 0.144 -2.518 3.903 210 HE1 TRP 26 HE1 TRP 26 -0.666 -4.246 5.623 211 HE3 TRP 26 HE3 TRP 26 -3.699 -4.569 1.242 212 HZ2 TRP 26 HZ2 TRP 26 -2.650 -6.250 5.812 213 HZ3 TRP 26 HZ3 TRP 26 -4.999 -6.407 2.246 214 HH2 TRP 26 HH TRP 26 -4.486 -7.228 4.493 215 H VAL 27 H VAL 27 -0.074 0.213 0.439 216 HA VAL 27 HA VAL 27 -1.308 0.492 -2.250 217 HB VAL 27 HB VAL 27 -0.258 2.774 -2.437 218 HG11 VAL 27 1HG1 VAL 27 -2.365 2.537 -0.255 219 HG12 VAL 27 2HG1 VAL 27 -2.661 2.591 -1.993 220 HG13 VAL 27 3HG1 VAL 27 -1.989 4.000 -1.173 221 HG21 VAL 27 1HG2 VAL 27 1.443 2.573 -0.673 222 HG22 VAL 27 2HG2 VAL 27 0.185 2.522 0.565 223 HG23 VAL 27 3HG2 VAL 27 0.427 3.988 -0.392 224 H ILE 28 H ILE 28 0.214 0.630 -4.003 225 HA ILE 28 HA ILE 28 2.996 -0.164 -3.379 226 HB ILE 28 HB ILE 28 3.008 -1.794 -5.197 227 HG12 ILE 28 2HG1 ILE 28 0.459 -2.416 -6.068 228 HG13 ILE 28 1HG1 ILE 28 0.287 -0.677 -5.910 229 HG21 ILE 28 1HG2 ILE 28 0.665 -2.208 -3.312 230 HG22 ILE 28 2HG2 ILE 28 2.357 -2.620 -3.014 231 HG23 ILE 28 3HG2 ILE 28 1.444 -3.485 -4.246 232 HD11 ILE 28 1HD1 ILE 28 2.321 -2.116 -7.616 233 HD12 ILE 28 2HD1 ILE 28 2.126 -0.363 -7.513 234 HD13 ILE 28 3HD1 ILE 28 0.834 -1.362 -8.184 235 H LEU 29 H LEU 29 4.513 1.066 -4.431 236 HA LEU 29 HA LEU 29 3.554 3.218 -6.161 237 HB2 LEU 29 2HB LEU 29 5.597 4.301 -5.869 238 HB3 LEU 29 1HB LEU 29 5.367 3.484 -4.339 239 HG LEU 29 HG LEU 29 7.243 2.542 -6.556 240 HD11 LEU 29 1HD1 LEU 29 7.902 3.928 -3.933 241 HD12 LEU 29 2HD1 LEU 29 8.069 4.616 -5.551 242 HD13 LEU 29 3HD1 LEU 29 9.078 3.256 -5.066 243 HD21 LEU 29 1HD2 LEU 29 8.126 0.958 -4.903 244 HD22 LEU 29 2HD2 LEU 29 6.417 0.660 -5.209 245 HD23 LEU 29 3HD2 LEU 29 6.916 1.485 -3.730 246 H HIS 30 H HIS 30 5.030 0.135 -6.489 247 HA HIS 30 HA HIS 30 4.626 -0.082 -9.264 248 HB2 HIS 30 2HB HIS 30 6.656 1.374 -9.426 249 HB3 HIS 30 1HB HIS 30 7.572 0.208 -8.477 250 HD1 HIS 30 HD1 HIS 30 8.971 -1.301 -9.914 251 HD2 HIS 30 HD2 HIS 30 5.539 -0.023 -11.870 252 HE1 HIS 30 HE1 HIS 30 9.075 -2.327 -12.209 253 HE2 HIS 30 HE2 HIS 30 7.152 -1.277 -13.446 254 H HIS 31 H HIS 31 7.019 -1.194 -6.859 255 HA HIS 31 HA HIS 31 6.125 -4.001 -7.108 256 HB2 HIS 31 2HB HIS 31 8.002 -3.730 -8.671 257 HB3 HIS 31 1HB HIS 31 8.985 -2.970 -7.427 258 HD1 HIS 31 HD1 HIS 31 10.313 -4.497 -5.889 259 HD2 HIS 31 HD2 HIS 31 7.690 -6.583 -8.342 260 HE1 HIS 31 HE1 HIS 31 10.889 -6.920 -5.582 261 HE2 HIS 31 HE2 HIS 31 9.120 -8.150 -6.858 262 H LYS 32 H LYS 32 6.875 -1.428 -5.033 263 HA LYS 32 HA LYS 32 7.452 -3.254 -2.753 264 HB2 LYS 32 2HB LYS 32 9.075 -1.312 -3.249 265 HB3 LYS 32 1HB LYS 32 7.777 -0.224 -2.795 266 HG2 LYS 32 2HG LYS 32 9.049 -0.376 -0.843 267 HG3 LYS 32 1HG LYS 32 7.734 -1.514 -0.543 268 HD2 LYS 32 2HD LYS 32 9.829 -2.517 0.165 269 HD3 LYS 32 1HD LYS 32 9.242 -3.384 -1.254 270 HE2 LYS 32 2HE LYS 32 10.850 -2.265 -2.677 271 HE3 LYS 32 1HE LYS 32 11.334 -1.182 -1.367 272 HZ1 LYS 32 1HZ LYS 32 12.178 -3.109 -0.163 273 HZ2 LYS 32 2HZ LYS 32 12.941 -2.940 -1.655 274 HZ3 LYS 32 3HZ LYS 32 11.755 -4.126 -1.443 275 H VAL 33 H VAL 33 5.911 -3.425 -1.168 276 HA VAL 33 HA VAL 33 3.452 -1.819 -1.402 277 HB VAL 33 HB VAL 33 3.055 -4.218 -1.414 278 HG11 VAL 33 1HG1 VAL 33 3.559 -5.688 0.503 279 HG12 VAL 33 2HG1 VAL 33 4.437 -4.373 1.282 280 HG13 VAL 33 3HG1 VAL 33 5.023 -5.047 -0.239 281 HG21 VAL 33 1HG2 VAL 33 1.428 -4.433 0.427 282 HG22 VAL 33 2HG2 VAL 33 1.342 -2.836 -0.318 283 HG23 VAL 33 3HG2 VAL 33 2.149 -3.039 1.239 284 H TYR 34 H TYR 34 2.639 -0.665 0.263 285 HA TYR 34 HA TYR 34 4.255 -0.180 2.685 286 HB2 TYR 34 2HB TYR 34 2.636 1.912 1.136 287 HB3 TYR 34 1HB TYR 34 3.646 2.201 2.554 288 HD1 TYR 34 HD1 TYR 34 6.092 2.291 2.357 289 HD2 TYR 34 HD2 TYR 34 3.657 1.522 -1.081 290 HE1 TYR 34 HE1 TYR 34 8.019 2.666 0.888 291 HE2 TYR 34 HE2 TYR 34 5.584 1.922 -2.534 292 HH TYR 34 HH TYR 34 8.724 1.978 -1.417 293 H ASP 35 H ASP 35 3.036 0.140 4.531 294 HA ASP 35 HA ASP 35 0.402 -1.049 4.549 295 HB2 ASP 35 2HB ASP 35 2.058 -1.726 6.254 296 HB3 ASP 35 1HB ASP 35 2.187 -0.062 6.816 297 H LEU 36 H LEU 36 -1.224 0.248 4.048 298 HA LEU 36 HA LEU 36 -1.112 3.121 4.625 299 HB2 LEU 36 2HB LEU 36 -1.849 1.771 2.358 300 HB3 LEU 36 1HB LEU 36 -3.417 1.968 3.105 301 HG LEU 36 HG LEU 36 -2.939 3.740 1.443 302 HD11 LEU 36 1HD1 LEU 36 -3.536 5.694 2.736 303 HD12 LEU 36 2HD1 LEU 36 -3.039 4.899 4.232 304 HD13 LEU 36 3HD1 LEU 36 -4.418 4.285 3.321 305 HD21 LEU 36 1HD2 LEU 36 -0.671 4.625 3.258 306 HD22 LEU 36 2HD2 LEU 36 -1.212 5.424 1.780 307 HD23 LEU 36 3HD2 LEU 36 -0.482 3.828 1.700 308 H THR 37 H THR 37 -2.516 0.230 5.831 309 HA THR 37 HA THR 37 -4.787 0.946 7.199 310 HB THR 37 HB THR 37 -2.510 -0.870 8.076 311 HG1 THR 37 HG1 THR 37 -4.957 -1.230 6.687 312 HG21 THR 37 1HG2 THR 37 -5.314 -0.738 9.270 313 HG22 THR 37 2HG2 THR 37 -3.824 -0.289 10.101 314 HG23 THR 37 3HG2 THR 37 -4.100 -1.967 9.632 315 H LYS 38 H LYS 38 -1.437 1.520 8.305 316 HA LYS 38 HA LYS 38 -2.243 2.901 10.728 317 HB2 LYS 38 2HB LYS 38 -0.052 1.511 10.194 318 HB3 LYS 38 1HB LYS 38 0.541 3.001 9.492 319 HG2 LYS 38 2HG LYS 38 -0.348 2.732 12.383 320 HG3 LYS 38 1HG LYS 38 1.304 2.482 11.842 321 HD2 LYS 38 2HD LYS 38 1.615 4.678 12.337 322 HD3 LYS 38 1HD LYS 38 0.772 5.009 10.827 323 HE2 LYS 38 2HE LYS 38 -0.168 6.373 12.608 324 HE3 LYS 38 1HE LYS 38 -1.367 5.182 12.111 325 HZ1 LYS 38 1HZ LYS 38 0.390 4.942 14.495 326 HZ2 LYS 38 2HZ LYS 38 -0.836 3.866 14.044 327 HZ3 LYS 38 3HZ LYS 38 -1.224 5.442 14.520 328 H PHE 39 H PHE 39 -1.213 3.730 7.461 329 HA PHE 39 HA PHE 39 -0.651 6.485 7.772 330 HB2 PHE 39 2HB PHE 39 -0.047 4.790 5.884 331 HB3 PHE 39 1HB PHE 39 -1.603 5.190 5.192 332 HD1 PHE 39 HD1 PHE 39 1.834 6.318 5.776 333 HD2 PHE 39 HD2 PHE 39 -1.952 7.451 4.147 334 HE1 PHE 39 HE1 PHE 39 2.922 8.123 4.516 335 HE2 PHE 39 HE2 PHE 39 -0.848 9.262 2.892 336 HZ PHE 39 HZ PHE 39 1.593 9.593 3.064 337 H LEU 40 H LEU 40 -3.697 4.784 7.177 338 HA LEU 40 HA LEU 40 -5.215 7.167 6.578 339 HB2 LEU 40 2HB LEU 40 -7.196 5.703 6.586 340 HB3 LEU 40 1HB LEU 40 -5.916 5.131 5.548 341 HG LEU 40 HG LEU 40 -5.364 3.536 7.630 342 HD11 LEU 40 1HD1 LEU 40 -8.322 4.027 8.045 343 HD12 LEU 40 2HD1 LEU 40 -7.024 4.443 9.167 344 HD13 LEU 40 3HD1 LEU 40 -7.361 2.752 8.805 345 HD21 LEU 40 1HD2 LEU 40 -7.636 2.977 5.695 346 HD22 LEU 40 2HD2 LEU 40 -6.762 1.765 6.636 347 HD23 LEU 40 3HD2 LEU 40 -5.916 2.703 5.409 348 H GLU 41 H GLU 41 -4.549 5.233 9.418 349 HA GLU 41 HA GLU 41 -6.360 6.628 11.170 350 HB2 GLU 41 2HB GLU 41 -4.028 4.735 11.686 351 HB3 GLU 41 1HB GLU 41 -4.965 5.454 12.992 352 HG2 GLU 41 2HG GLU 41 -6.082 3.657 10.820 353 HG3 GLU 41 1HG GLU 41 -5.682 3.148 12.458 354 H GLU 42 H GLU 42 -3.286 7.358 9.859 355 HA GLU 42 HA GLU 42 -2.146 8.727 12.087 356 HB2 GLU 42 2HB GLU 42 -0.854 7.641 10.211 357 HB3 GLU 42 1HB GLU 42 -1.364 8.953 9.157 358 HG2 GLU 42 2HG GLU 42 0.897 9.359 9.921 359 HG3 GLU 42 1HG GLU 42 -0.176 10.570 10.616 360 H TRP 43 H TRP 43 -3.097 10.164 8.896 361 HA TRP 43 HA TRP 43 -3.803 12.654 10.342 362 HB2 TRP 43 2HB TRP 43 -2.511 12.254 7.663 363 HB3 TRP 43 1HB TRP 43 -3.507 13.676 7.892 364 HD1 TRP 43 HD TRP 43 -0.582 12.028 9.913 365 HE1 TRP 43 HE1 TRP 43 0.940 13.936 10.739 366 HE3 TRP 43 HE3 TRP 43 -3.078 15.973 7.877 367 HZ2 TRP 43 HZ2 TRP 43 1.057 16.763 10.544 368 HZ3 TRP 43 HZ3 TRP 43 -2.211 18.254 8.231 369 HH2 TRP 43 HH TRP 43 -0.176 18.639 9.531 370 HA PRO 44 HA PRO 44 -7.122 12.668 6.802 371 HB2 PRO 44 2HB PRO 44 -7.917 10.220 5.704 372 HB3 PRO 44 1HB PRO 44 -6.747 11.328 4.964 373 HG2 PRO 44 2HG PRO 44 -6.235 8.876 6.595 374 HG3 PRO 44 1HG PRO 44 -5.403 9.455 5.135 375 HD2 PRO 44 2HD PRO 44 -4.318 9.779 7.582 376 HD3 PRO 44 1HD PRO 44 -4.115 11.004 6.310 377 H GLY 45 H GLY 45 -7.081 9.726 8.823 378 HA2 GLY 45 2HA GLY 45 -8.508 8.894 10.405 379 HA3 GLY 45 1HA GLY 45 -9.081 10.541 10.613 380 H GLY 46 H GLY 46 -9.304 8.838 7.584 381 HA2 GLY 46 2HA GLY 46 -12.031 7.910 7.851 382 HA3 GLY 46 1HA GLY 46 -11.866 9.360 6.862 383 H GLU 47 H GLU 47 -11.007 5.998 7.194 384 HA GLU 47 HA GLU 47 -9.130 5.586 5.260 385 HB2 GLU 47 2HB GLU 47 -9.732 3.238 5.264 386 HB3 GLU 47 1HB GLU 47 -9.881 3.873 6.891 387 HG2 GLU 47 2HG GLU 47 -12.185 3.318 5.004 388 HG3 GLU 47 1HG GLU 47 -11.678 2.284 6.335 389 H GLU 48 H GLU 48 -12.588 5.980 4.710 390 HA GLU 48 HA GLU 48 -13.070 4.633 2.385 391 HB2 GLU 48 2HB GLU 48 -14.905 6.261 1.957 392 HB3 GLU 48 1HB GLU 48 -14.843 5.701 3.626 393 HG2 GLU 48 2HG GLU 48 -13.864 7.774 4.372 394 HG3 GLU 48 1HG GLU 48 -13.648 8.329 2.713 395 H VAL 49 H VAL 49 -11.470 7.795 2.564 396 HA VAL 49 HA VAL 49 -11.686 8.581 -0.143 397 HB VAL 49 HB VAL 49 -11.164 10.162 1.688 398 HG11 VAL 49 1HG1 VAL 49 -9.671 8.743 3.049 399 HG12 VAL 49 2HG1 VAL 49 -8.948 10.318 2.726 400 HG13 VAL 49 3HG1 VAL 49 -8.406 8.897 1.829 401 HG21 VAL 49 1HG2 VAL 49 -8.959 10.129 -0.401 402 HG22 VAL 49 2HG2 VAL 49 -9.439 11.525 0.570 403 HG23 VAL 49 3HG2 VAL 49 -10.562 10.831 -0.603 404 H LEU 50 H LEU 50 -9.355 6.547 1.513 405 HA LEU 50 HA LEU 50 -7.653 6.299 -0.901 406 HB2 LEU 50 2HB LEU 50 -5.894 5.568 0.843 407 HB3 LEU 50 1HB LEU 50 -6.342 7.255 0.764 408 HG LEU 50 HG LEU 50 -7.971 6.712 2.739 409 HD11 LEU 50 1HD1 LEU 50 -7.800 4.290 2.656 410 HD12 LEU 50 2HD1 LEU 50 -7.279 4.907 4.217 411 HD13 LEU 50 3HD1 LEU 50 -6.079 4.376 3.037 412 HD21 LEU 50 1HD2 LEU 50 -6.207 7.161 4.412 413 HD22 LEU 50 2HD2 LEU 50 -6.057 8.200 2.997 414 HD23 LEU 50 3HD2 LEU 50 -4.972 6.824 3.196 415 H ARG 51 H ARG 51 -9.749 4.615 1.175 416 HA ARG 51 HA ARG 51 -8.558 2.010 1.137 417 HB2 ARG 51 2HB ARG 51 -10.129 2.879 2.921 418 HB3 ARG 51 1HB ARG 51 -11.446 2.790 1.772 419 HG2 ARG 51 2HG ARG 51 -10.023 0.203 2.147 420 HG3 ARG 51 1HG ARG 51 -10.762 0.826 3.619 421 HD2 ARG 51 2HD ARG 51 -12.356 -0.630 2.570 422 HD3 ARG 51 1HD ARG 51 -12.938 1.022 2.360 423 HE ARG 51 HE ARG 51 -11.369 -0.081 0.183 424 HH11 ARG 51 1HH1 ARG 51 -14.654 0.480 1.342 425 HH12 ARG 51 2HH1 ARG 51 -15.345 0.290 -0.243 426 HH21 ARG 51 1HH2 ARG 51 -12.303 -0.380 -1.826 427 HH22 ARG 51 2HH2 ARG 51 -14.013 -0.197 -2.035 428 H GLU 52 H GLU 52 -10.995 3.716 -0.737 429 HA GLU 52 HA GLU 52 -11.859 1.615 -2.410 430 HB2 GLU 52 2HB GLU 52 -12.655 3.425 -3.923 431 HB3 GLU 52 1HB GLU 52 -13.106 3.717 -2.249 432 HG2 GLU 52 2HG GLU 52 -11.349 5.387 -2.008 433 HG3 GLU 52 1HG GLU 52 -10.735 5.035 -3.621 434 H GLN 53 H GLN 53 -9.066 3.803 -2.611 435 HA GLN 53 HA GLN 53 -8.238 2.525 -5.145 436 HB2 GLN 53 2HB GLN 53 -7.239 4.613 -5.852 437 HB3 GLN 53 1HB GLN 53 -8.932 4.878 -5.458 438 HG2 GLN 53 2HG GLN 53 -8.343 5.974 -3.384 439 HG3 GLN 53 1HG GLN 53 -6.639 5.562 -3.598 440 HE21 GLN 53 1HE2 GLN 53 -5.509 6.530 -5.410 441 HE22 GLN 53 2HE2 GLN 53 -5.988 8.084 -5.994 442 H ALA 54 H ALA 54 -7.629 1.602 -2.512 443 HA ALA 54 HA ALA 54 -4.789 1.944 -2.098 444 HB1 ALA 54 1HB ALA 54 -6.282 1.326 -0.245 445 HB2 ALA 54 2HB ALA 54 -5.057 0.083 -0.494 446 HB3 ALA 54 3HB ALA 54 -6.707 -0.177 -1.066 447 H GLY 55 H GLY 55 -3.132 0.457 -2.700 448 HA2 GLY 55 2HA GLY 55 -2.122 -1.337 -3.777 449 HA3 GLY 55 1HA GLY 55 -3.706 -1.979 -4.168 450 H GLY 56 H GLY 56 -3.598 1.217 -5.141 451 HA2 GLY 56 2HA GLY 56 -3.247 0.475 -7.959 452 HA3 GLY 56 1HA GLY 56 -3.900 1.983 -7.336 453 H ASP 57 H ASP 57 -2.196 3.144 -5.828 454 HA ASP 57 HA ASP 57 0.472 3.108 -7.032 455 HB2 ASP 57 2HB ASP 57 -0.858 4.577 -8.511 456 HB3 ASP 57 1HB ASP 57 -1.403 5.522 -7.124 457 H ALA 58 H ALA 58 1.996 4.398 -5.865 458 HA ALA 58 HA ALA 58 1.226 5.640 -3.318 459 HB1 ALA 58 1HB ALA 58 3.043 4.557 -2.069 460 HB2 ALA 58 2HB ALA 58 3.497 3.618 -3.495 461 HB3 ALA 58 3HB ALA 58 1.942 3.340 -2.717 462 H THR 59 H THR 59 2.860 5.779 -6.234 463 HA THR 59 HA THR 59 5.264 7.173 -5.508 464 HB THR 59 HB THR 59 3.970 7.178 -8.274 465 HG1 THR 59 HG1 THR 59 4.100 5.055 -7.954 466 HG21 THR 59 1HG2 THR 59 5.941 8.656 -8.006 467 HG22 THR 59 2HG2 THR 59 6.305 7.301 -9.074 468 HG23 THR 59 3HG2 THR 59 6.888 7.290 -7.408 469 H GLU 60 H GLU 60 2.091 8.124 -6.768 470 HA GLU 60 HA GLU 60 2.581 10.958 -6.007 471 HB2 GLU 60 2HB GLU 60 2.130 10.615 -8.428 472 HB3 GLU 60 1HB GLU 60 0.620 9.797 -8.048 473 HG2 GLU 60 2HG GLU 60 -0.215 11.933 -7.018 474 HG3 GLU 60 1HG GLU 60 1.268 12.727 -7.546 475 H ASN 61 H ASN 61 0.617 8.108 -5.609 476 HA ASN 61 HA ASN 61 -1.858 9.242 -4.853 477 HB2 ASN 61 2HB ASN 61 -1.169 6.794 -5.609 478 HB3 ASN 61 1HB ASN 61 -0.996 6.500 -3.894 479 HD21 ASN 61 1HD2 ASN 61 -3.395 8.314 -3.349 480 HD22 ASN 61 2HD2 ASN 61 -4.746 7.345 -3.773 481 H PHE 62 H PHE 62 0.993 8.424 -2.957 482 HA PHE 62 HA PHE 62 0.059 8.282 -0.341 483 HB2 PHE 62 2HB PHE 62 2.342 8.739 0.343 484 HB3 PHE 62 1HB PHE 62 2.435 7.858 -1.178 485 HD1 PHE 62 HD1 PHE 62 2.992 9.131 -3.318 486 HD2 PHE 62 HD2 PHE 62 3.212 10.978 0.512 487 HE1 PHE 62 HE1 PHE 62 4.297 10.982 -4.266 488 HE2 PHE 62 HE2 PHE 62 4.517 12.817 -0.443 489 HZ PHE 62 HZ PHE 62 5.062 12.825 -2.839 490 H GLU 63 H GLU 63 0.516 11.083 -2.357 491 HA GLU 63 HA GLU 63 0.168 13.083 -0.222 492 HB2 GLU 63 2HB GLU 63 2.029 13.243 -1.903 493 HB3 GLU 63 1HB GLU 63 0.838 13.383 -3.186 494 HG2 GLU 63 2HG GLU 63 0.053 15.512 -2.201 495 HG3 GLU 63 1HG GLU 63 1.278 15.371 -0.935 496 H ASP 64 H ASP 64 -1.311 11.747 -3.085 497 HA ASP 64 HA ASP 64 -3.354 13.603 -3.606 498 HB2 ASP 64 2HB ASP 64 -2.752 12.006 -5.301 499 HB3 ASP 64 1HB ASP 64 -3.030 10.641 -4.229 500 H VAL 65 H VAL 65 -3.569 10.475 -1.892 501 HA VAL 65 HA VAL 65 -6.143 11.224 -0.659 502 HB VAL 65 HB VAL 65 -6.306 8.842 -0.018 503 HG11 VAL 65 1HG1 VAL 65 -5.684 9.252 -2.954 504 HG12 VAL 65 2HG1 VAL 65 -7.232 9.555 -2.157 505 HG13 VAL 65 3HG1 VAL 65 -6.606 7.910 -2.265 506 HG21 VAL 65 1HG2 VAL 65 -3.900 8.325 0.263 507 HG22 VAL 65 2HG2 VAL 65 -3.655 8.462 -1.478 508 HG23 VAL 65 3HG2 VAL 65 -4.671 7.175 -0.830 509 H GLY 66 H GLY 66 -2.875 11.227 0.161 510 HA2 GLY 66 2HA GLY 66 -3.274 10.453 2.984 511 HA3 GLY 66 1HA GLY 66 -1.743 10.598 2.140 512 H PHE 67 H PHE 67 -0.544 12.186 2.969 513 HA PHE 67 HA PHE 67 -1.847 14.394 4.414 514 HB2 PHE 67 2HB PHE 67 1.132 13.847 4.567 515 HB3 PHE 67 1HB PHE 67 0.065 14.514 5.797 516 HD1 PHE 67 HD1 PHE 67 -1.947 11.975 5.463 517 HD2 PHE 67 HD2 PHE 67 2.228 12.435 6.237 518 HE1 PHE 67 HE1 PHE 67 -1.922 9.825 6.645 519 HE2 PHE 67 HE2 PHE 67 2.232 10.278 7.415 520 HZ PHE 67 HZ PHE 67 0.167 8.974 7.616 521 H SER 68 H SER 68 0.407 16.181 4.318 522 HA SER 68 HA SER 68 0.085 17.442 1.758 523 HB2 SER 68 2HB SER 68 2.036 18.064 4.025 524 HB3 SER 68 1HB SER 68 1.590 19.153 2.708 525 HG SER 68 HG SER 68 0.140 18.383 4.968 526 H THR 69 H THR 69 2.632 18.419 1.164 527 HA THR 69 HA THR 69 3.733 16.429 -0.480 528 HB THR 69 HB THR 69 5.629 18.092 -0.832 529 HG1 THR 69 HG1 THR 69 5.620 19.110 1.202 530 HG21 THR 69 1HG2 THR 69 4.260 19.776 -1.971 531 HG22 THR 69 2HG2 THR 69 2.835 19.268 -1.068 532 HG23 THR 69 3HG2 THR 69 3.577 18.169 -2.232 533 H ASP 70 H ASP 70 4.303 16.984 2.863 534 HA ASP 70 HA ASP 70 6.999 15.918 3.007 535 HB2 ASP 70 2HB ASP 70 6.829 16.225 5.389 536 HB3 ASP 70 1HB ASP 70 6.074 17.624 4.634 537 H ALA 71 H ALA 71 3.865 14.575 2.765 538 HA ALA 71 HA ALA 71 4.069 12.200 4.247 539 HB1 ALA 71 1HB ALA 71 2.297 11.322 2.809 540 HB2 ALA 71 2HB ALA 71 2.588 12.603 1.626 541 HB3 ALA 71 3HB ALA 71 1.971 13.003 3.229 542 H ARG 72 H ARG 72 5.766 13.110 1.355 543 HA ARG 72 HA ARG 72 6.479 10.582 0.322 544 HB2 ARG 72 2HB ARG 72 8.423 11.739 -0.715 545 HB3 ARG 72 1HB ARG 72 6.928 12.640 -0.927 546 HG2 ARG 72 2HG ARG 72 7.592 14.157 0.929 547 HG3 ARG 72 1HG ARG 72 9.112 13.282 1.088 548 HD2 ARG 72 2HD ARG 72 9.843 14.024 -1.096 549 HD3 ARG 72 1HD ARG 72 8.250 14.696 -1.459 550 HE ARG 72 HE ARG 72 9.325 15.912 0.876 551 HH11 ARG 72 1HH1 ARG 72 9.692 15.987 -2.626 552 HH12 ARG 72 2HH1 ARG 72 10.278 17.623 -2.652 553 HH21 ARG 72 1HH2 ARG 72 10.075 18.056 0.832 554 HH22 ARG 72 2HH2 ARG 72 10.496 18.795 -0.684 555 H GLU 73 H GLU 73 7.720 12.455 2.973 556 HA GLU 73 HA GLU 73 10.017 10.819 3.563 557 HB2 GLU 73 2HB GLU 73 8.631 12.895 5.327 558 HB3 GLU 73 1HB GLU 73 10.282 12.298 5.493 559 HG2 GLU 73 2HG GLU 73 10.885 13.359 3.343 560 HG3 GLU 73 1HG GLU 73 9.229 13.939 3.167 561 H LEU 74 H LEU 74 6.667 11.111 4.679 562 HA LEU 74 HA LEU 74 6.879 9.407 6.948 563 HB2 LEU 74 2HB LEU 74 4.510 10.454 5.374 564 HB3 LEU 74 1HB LEU 74 4.275 9.233 6.612 565 HG LEU 74 HG LEU 74 3.796 11.385 7.585 566 HD11 LEU 74 1HD1 LEU 74 4.887 9.785 9.086 567 HD12 LEU 74 2HD1 LEU 74 5.298 11.444 9.509 568 HD13 LEU 74 3HD1 LEU 74 6.473 10.439 8.659 569 HD21 LEU 74 1HD2 LEU 74 6.564 12.329 6.774 570 HD22 LEU 74 2HD2 LEU 74 5.379 13.237 7.717 571 HD23 LEU 74 3HD2 LEU 74 5.039 12.833 6.039 572 H SER 75 H SER 75 5.570 8.807 3.683 573 HA SER 75 HA SER 75 4.694 6.192 4.010 574 HB2 SER 75 2HB SER 75 4.816 6.074 1.494 575 HB3 SER 75 1HB SER 75 4.033 7.535 2.097 576 HG SER 75 HG SER 75 5.681 8.732 1.419 577 H LYS 76 H LYS 76 7.918 7.363 3.469 578 HA LYS 76 HA LYS 76 9.373 5.137 2.697 579 HB2 LYS 76 2HB LYS 76 10.171 7.251 4.736 580 HB3 LYS 76 1HB LYS 76 11.295 6.155 3.943 581 HG2 LYS 76 2HG LYS 76 9.604 8.255 2.573 582 HG3 LYS 76 1HG LYS 76 11.315 8.408 2.954 583 HD2 LYS 76 2HD LYS 76 10.115 6.353 1.055 584 HD3 LYS 76 1HD LYS 76 10.911 7.851 0.571 585 HE2 LYS 76 2HE LYS 76 13.027 7.082 1.511 586 HE3 LYS 76 1HE LYS 76 12.255 5.618 2.131 587 HZ1 LYS 76 1HZ LYS 76 12.502 6.348 -0.738 588 HZ2 LYS 76 2HZ LYS 76 11.794 4.940 -0.131 589 HZ3 LYS 76 3HZ LYS 76 13.447 5.207 0.073 590 H LYS 77 H LYS 77 8.201 5.888 5.987 591 HA LYS 77 HA LYS 77 9.640 3.605 7.138 592 HB2 LYS 77 2HB LYS 77 9.057 4.452 9.293 593 HB3 LYS 77 1HB LYS 77 9.537 5.831 8.315 594 HG2 LYS 77 2HG LYS 77 7.043 6.254 7.928 595 HG3 LYS 77 1HG LYS 77 6.738 5.054 9.181 596 HD2 LYS 77 2HD LYS 77 8.275 7.661 9.517 597 HD3 LYS 77 1HD LYS 77 6.653 7.322 10.117 598 HE2 LYS 77 2HE LYS 77 7.583 5.577 11.616 599 HE3 LYS 77 1HE LYS 77 9.205 5.939 11.016 600 HZ1 LYS 77 1HZ LYS 77 7.433 7.856 12.447 601 HZ2 LYS 77 2HZ LYS 77 8.996 8.182 11.891 602 HZ3 LYS 77 3HZ LYS 77 8.756 7.048 13.122 603 H TYR 78 H TYR 78 6.596 4.205 5.763 604 HA TYR 78 HA TYR 78 5.154 2.133 7.225 605 HB2 TYR 78 2HB TYR 78 4.375 3.803 4.795 606 HB3 TYR 78 1HB TYR 78 3.332 2.570 5.500 607 HD1 TYR 78 HD1 TYR 78 1.931 3.115 7.393 608 HD2 TYR 78 HD2 TYR 78 5.051 5.790 6.276 609 HE1 TYR 78 HE1 TYR 78 1.077 4.787 8.975 610 HE2 TYR 78 HE2 TYR 78 4.194 7.461 7.856 611 HH TYR 78 HH TYR 78 1.842 6.746 10.213 612 H ILE 79 H ILE 79 7.615 1.852 5.179 613 HA ILE 79 HA ILE 79 6.777 0.047 3.180 614 HB ILE 79 HB ILE 79 8.910 1.189 2.962 615 HG12 ILE 79 2HG1 ILE 79 9.378 -1.816 3.249 616 HG13 ILE 79 1HG1 ILE 79 8.749 -1.005 1.821 617 HG21 ILE 79 1HG2 ILE 79 10.873 0.773 4.372 618 HG22 ILE 79 2HG2 ILE 79 9.942 -0.339 5.374 619 HG23 ILE 79 3HG2 ILE 79 9.526 1.374 5.347 620 HD11 ILE 79 1HD1 ILE 79 11.072 -1.598 1.529 621 HD12 ILE 79 2HD1 ILE 79 11.524 -0.687 2.969 622 HD13 ILE 79 3HD1 ILE 79 10.897 0.156 1.548 623 H ILE 80 H ILE 80 5.573 -1.644 3.789 624 HA ILE 80 HA ILE 80 6.108 -3.143 6.236 625 HB ILE 80 HB ILE 80 3.790 -2.430 5.675 626 HG12 ILE 80 2HG1 ILE 80 4.069 -5.470 5.775 627 HG13 ILE 80 1HG1 ILE 80 4.186 -4.400 7.168 628 HG21 ILE 80 1HG2 ILE 80 2.481 -3.543 3.912 629 HG22 ILE 80 2HG2 ILE 80 3.920 -4.414 3.379 630 HG23 ILE 80 3HG2 ILE 80 3.848 -2.657 3.228 631 HD11 ILE 80 1HD1 ILE 80 1.750 -4.822 5.446 632 HD12 ILE 80 2HD1 ILE 80 1.859 -3.702 6.808 633 HD13 ILE 80 3HD1 ILE 80 2.020 -5.437 7.076 634 H GLY 81 H GLY 81 6.384 -3.487 2.770 635 HA2 GLY 81 2HA GLY 81 8.283 -5.581 2.871 636 HA3 GLY 81 1HA GLY 81 6.691 -6.277 2.543 637 H GLU 82 H GLU 82 7.598 -6.932 0.474 638 HA GLU 82 HA GLU 82 7.450 -4.762 -1.555 639 HB2 GLU 82 2HB GLU 82 8.951 -6.046 -3.013 640 HB3 GLU 82 1HB GLU 82 9.739 -5.737 -1.470 641 HG2 GLU 82 2HG GLU 82 9.288 -8.040 -0.742 642 HG3 GLU 82 1HG GLU 82 8.431 -8.370 -2.245 643 H LEU 83 H LEU 83 6.115 -5.090 -3.256 644 HA LEU 83 HA LEU 83 4.146 -7.201 -3.187 645 HB2 LEU 83 2HB LEU 83 3.984 -4.627 -3.912 646 HB3 LEU 83 1HB LEU 83 4.486 -5.240 -5.474 647 HG LEU 83 HG LEU 83 2.016 -4.906 -5.256 648 HD11 LEU 83 1HD1 LEU 83 1.268 -6.963 -6.273 649 HD12 LEU 83 2HD1 LEU 83 2.706 -7.814 -5.705 650 HD13 LEU 83 3HD1 LEU 83 2.857 -6.528 -6.900 651 HD21 LEU 83 1HD2 LEU 83 0.666 -6.413 -3.894 652 HD22 LEU 83 2HD2 LEU 83 1.784 -5.491 -2.891 653 HD23 LEU 83 3HD2 LEU 83 2.126 -7.183 -3.263 654 H HIS 84 H HIS 84 3.888 -8.842 -4.788 655 HA HIS 84 HA HIS 84 6.236 -9.965 -5.962 656 HB2 HIS 84 2HB HIS 84 3.293 -10.640 -6.406 657 HB3 HIS 84 1HB HIS 84 4.634 -11.625 -6.982 658 HD1 HIS 84 HD1 HIS 84 2.433 -12.623 -5.010 659 HD2 HIS 84 HD2 HIS 84 6.211 -11.293 -3.906 660 HE1 HIS 84 HE1 HIS 84 2.895 -13.684 -2.780 661 HE2 HIS 84 HE2 HIS 84 5.258 -13.035 -2.247 662 HA PRO 85 HA PRO 85 6.480 -7.759 -9.937 663 HB2 PRO 85 2HB PRO 85 7.434 -10.444 -10.945 664 HB3 PRO 85 1HB PRO 85 8.182 -8.840 -11.127 665 HG2 PRO 85 2HG PRO 85 9.190 -10.576 -9.403 666 HG3 PRO 85 1HG PRO 85 9.067 -8.854 -8.967 667 HD2 PRO 85 2HD PRO 85 7.320 -11.148 -8.100 668 HD3 PRO 85 1HD PRO 85 7.908 -9.760 -7.158 669 H ASP 86 H ASP 86 4.880 -10.873 -9.619 670 HA ASP 86 HA ASP 86 3.629 -10.966 -12.193 671 HB2 ASP 86 2HB ASP 86 4.107 -13.001 -10.890 672 HB3 ASP 86 1HB ASP 86 3.048 -12.457 -9.594 673 H ASP 87 H ASP 87 2.549 -10.140 -8.921 674 HA ASP 87 HA ASP 87 -0.215 -9.822 -9.633 675 HB2 ASP 87 2HB ASP 87 1.354 -9.258 -7.099 676 HB3 ASP 87 1HB ASP 87 -0.372 -8.935 -7.225 677 H ARG 88 H ARG 88 2.491 -7.594 -9.113 678 HA ARG 88 HA ARG 88 0.958 -5.189 -9.001 679 HB2 ARG 88 2HB ARG 88 3.109 -4.010 -9.250 680 HB3 ARG 88 1HB ARG 88 3.219 -5.310 -8.079 681 HG2 ARG 88 2HG ARG 88 5.221 -5.610 -9.185 682 HG3 ARG 88 1HG ARG 88 4.191 -6.693 -10.113 683 HD2 ARG 88 2HD ARG 88 3.874 -4.747 -11.761 684 HD3 ARG 88 1HD ARG 88 5.173 -3.928 -10.892 685 HE ARG 88 HE ARG 88 6.034 -6.507 -11.662 686 HH11 ARG 88 1HH1 ARG 88 5.273 -3.392 -13.135 687 HH12 ARG 88 2HH1 ARG 88 6.348 -3.635 -14.477 688 HH21 ARG 88 1HH2 ARG 88 7.400 -6.812 -13.453 689 HH22 ARG 88 2HH2 ARG 88 7.548 -5.566 -14.651 690 H SER 89 H SER 89 2.024 -7.166 -11.619 691 HA SER 89 HA SER 89 1.523 -5.151 -13.696 692 HB2 SER 89 2HB SER 89 3.539 -6.581 -13.864 693 HB3 SER 89 1HB SER 89 2.531 -8.028 -13.855 694 HG SER 89 HG SER 89 1.857 -7.597 -15.861 695 H LYS 90 H LYS 90 0.231 -8.128 -12.350 696 HA LYS 90 HA LYS 90 -1.790 -8.793 -14.207 697 HB2 LYS 90 2HB LYS 90 -0.936 -10.298 -12.415 698 HB3 LYS 90 1HB LYS 90 -1.632 -9.248 -11.190 699 HG2 LYS 90 2HG LYS 90 -3.918 -9.815 -12.189 700 HG3 LYS 90 1HG LYS 90 -3.096 -11.062 -13.135 701 HD2 LYS 90 2HD LYS 90 -3.219 -10.850 -10.098 702 HD3 LYS 90 1HD LYS 90 -4.013 -12.069 -11.096 703 HE2 LYS 90 2HE LYS 90 -1.869 -13.042 -11.701 704 HE3 LYS 90 1HE LYS 90 -0.998 -11.731 -10.905 705 HZ1 LYS 90 1HZ LYS 90 -0.987 -13.662 -9.518 706 HZ2 LYS 90 2HZ LYS 90 -2.673 -13.792 -9.577 707 HZ3 LYS 90 3HZ LYS 90 -1.957 -12.486 -8.779 708 H ILE 91 H ILE 91 -2.142 -7.306 -11.009 709 HA ILE 91 HA ILE 91 -4.712 -6.091 -11.711 710 HB ILE 91 HB ILE 91 -3.447 -6.250 -8.931 711 HG12 ILE 91 2HG1 ILE 91 -5.073 -8.379 -10.398 712 HG13 ILE 91 1HG1 ILE 91 -3.464 -8.550 -9.730 713 HG21 ILE 91 1HG2 ILE 91 -5.776 -6.112 -8.131 714 HG22 ILE 91 2HG2 ILE 91 -6.363 -6.073 -9.794 715 HG23 ILE 91 3HG2 ILE 91 -5.399 -4.735 -9.168 716 HD11 ILE 91 1HD1 ILE 91 -4.423 -8.357 -7.460 717 HD12 ILE 91 2HD1 ILE 91 -5.033 -9.736 -8.370 718 HD13 ILE 91 3HD1 ILE 91 -6.034 -8.298 -8.178 719 H ALA 92 H ALA 92 -1.865 -5.116 -12.476 720 HA ALA 92 HA ALA 92 -1.619 -2.433 -11.706 721 HB1 ALA 92 1HB ALA 92 -0.684 -2.043 -13.957 722 HB2 ALA 92 2HB ALA 92 -1.319 -3.600 -14.501 723 HB3 ALA 92 3HB ALA 92 -0.061 -3.542 -13.267 724 H LYS 93 H LYS 93 -3.928 -4.071 -13.748 725 HA LYS 93 HA LYS 93 -5.678 -1.709 -13.957 726 HB2 LYS 93 2HB LYS 93 -5.948 -4.515 -15.140 727 HB3 LYS 93 1HB LYS 93 -7.023 -3.161 -15.468 728 HG2 LYS 93 2HG LYS 93 -5.462 -2.060 -16.820 729 HG3 LYS 93 1HG LYS 93 -4.085 -2.893 -16.102 730 HD2 LYS 93 2HD LYS 93 -6.140 -4.318 -17.841 731 HD3 LYS 93 1HD LYS 93 -4.691 -3.559 -18.499 732 HE2 LYS 93 2HE LYS 93 -4.217 -5.899 -18.242 733 HE3 LYS 93 1HE LYS 93 -3.314 -5.051 -16.991 734 HZ1 LYS 93 1HZ LYS 93 -4.312 -7.034 -16.107 735 HZ2 LYS 93 2HZ LYS 93 -5.850 -6.569 -16.630 736 HZ3 LYS 93 3HZ LYS 93 -5.071 -5.704 -15.404 737 HA PRO 94 HA PRO 94 -7.292 -3.957 -10.211 738 HB2 PRO 94 2HB PRO 94 -7.703 -1.833 -8.604 739 HB3 PRO 94 1HB PRO 94 -6.059 -2.411 -8.949 740 HG2 PRO 94 2HG PRO 94 -7.505 -0.054 -10.084 741 HG3 PRO 94 1HG PRO 94 -5.795 -0.219 -9.630 742 HD2 PRO 94 2HD PRO 94 -6.822 -0.450 -12.233 743 HD3 PRO 94 1HD PRO 94 -5.222 -1.000 -11.696 744 H SER 95 H SER 95 -9.400 -3.240 -8.753 745 HA SER 95 HA SER 95 -11.570 -3.499 -10.662 746 HB2 SER 95 2HB SER 95 -11.396 -5.040 -8.731 747 HB3 SER 95 1HB SER 95 -11.571 -3.684 -7.618 748 HG SER 95 HG SER 95 -13.655 -3.331 -8.593 749 H GLU 96 H GLU 96 -11.755 -1.715 -7.548 750 HA GLU 96 HA GLU 96 -13.325 0.381 -8.905 751 HB2 GLU 96 2HB GLU 96 -14.258 0.979 -6.785 752 HB3 GLU 96 1HB GLU 96 -14.300 -0.771 -6.870 753 HG2 GLU 96 2HG GLU 96 -12.027 0.601 -5.437 754 HG3 GLU 96 1HG GLU 96 -13.591 0.473 -4.653 755 H THR 97 H THR 97 -10.217 -0.126 -7.665 756 HA THR 97 HA THR 97 -9.433 2.362 -6.675 757 HB THR 97 HB THR 97 -7.885 0.170 -8.086 758 HG1 THR 97 HG1 THR 97 -7.215 0.234 -5.590 759 HG21 THR 97 1HG2 THR 97 -6.524 2.187 -8.299 760 HG22 THR 97 2HG2 THR 97 -5.816 1.117 -7.090 761 HG23 THR 97 3HG2 THR 97 -6.722 2.539 -6.580 762 H LEU 98 H LEU 98 -9.282 1.097 -10.004 763 HA LEU 98 HA LEU 98 -9.349 3.724 -11.197 764 HB2 LEU 98 2HB LEU 98 -6.892 3.277 -10.457 765 HB3 LEU 98 1HB LEU 98 -6.834 2.058 -11.711 766 HG LEU 98 HG LEU 98 -7.455 4.982 -12.319 767 HD11 LEU 98 1HD1 LEU 98 -5.274 4.933 -11.212 768 HD12 LEU 98 2HD1 LEU 98 -5.092 5.307 -12.922 769 HD13 LEU 98 3HD1 LEU 98 -4.703 3.690 -12.329 770 HD21 LEU 98 1HD2 LEU 98 -6.702 4.436 -14.596 771 HD22 LEU 98 2HD2 LEU 98 -8.064 3.430 -14.114 772 HD23 LEU 98 3HD2 LEU 98 -6.432 2.755 -14.118 Start of MODEL 14 1 H1 ALA 1 1H ALA 1 13.058 -20.858 8.574 2 H2 ALA 1 2H ALA 1 13.804 -21.843 9.729 3 H3 ALA 1 3H ALA 1 14.629 -20.511 9.098 4 HA ALA 1 HA ALA 1 12.195 -20.435 10.775 5 HB1 ALA 1 1HB ALA 1 13.652 -19.429 12.499 6 HB2 ALA 1 2HB ALA 1 15.046 -19.597 11.427 7 HB3 ALA 1 3HB ALA 1 14.229 -21.034 12.042 8 H GLU 2 H GLU 2 14.658 -18.631 8.946 9 HA GLU 2 HA GLU 2 13.227 -16.108 9.178 10 HB2 GLU 2 2HB GLU 2 15.769 -16.921 7.701 11 HB3 GLU 2 1HB GLU 2 15.028 -15.343 7.467 12 HG2 GLU 2 2HG GLU 2 16.840 -15.130 9.036 13 HG3 GLU 2 1HG GLU 2 15.322 -14.864 9.887 14 H GLN 3 H GLN 3 11.207 -16.765 8.273 15 HA GLN 3 HA GLN 3 10.848 -17.300 5.486 16 HB2 GLN 3 2HB GLN 3 9.026 -17.642 7.108 17 HB3 GLN 3 1HB GLN 3 9.042 -15.941 7.541 18 HG2 GLN 3 2HG GLN 3 7.122 -16.433 6.140 19 HG3 GLN 3 1HG GLN 3 8.228 -15.362 5.278 20 HE21 GLN 3 1HE2 GLN 3 7.451 -15.931 3.249 21 HE22 GLN 3 2HE2 GLN 3 7.705 -17.490 2.546 22 H SER 4 H SER 4 10.348 -15.763 3.833 23 HA SER 4 HA SER 4 11.884 -13.509 3.548 24 HB2 SER 4 2HB SER 4 10.262 -12.928 1.679 25 HB3 SER 4 1HB SER 4 10.861 -14.582 1.642 26 HG SER 4 HG SER 4 8.333 -13.722 2.615 27 H ASP 5 H ASP 5 8.633 -13.775 4.858 28 HA ASP 5 HA ASP 5 7.988 -10.993 4.869 29 HB2 ASP 5 2HB ASP 5 6.630 -13.310 6.317 30 HB3 ASP 5 1HB ASP 5 5.931 -11.720 6.021 31 H LYS 6 H LYS 6 9.862 -12.863 7.016 32 HA LYS 6 HA LYS 6 9.498 -11.495 9.462 33 HB2 LYS 6 2HB LYS 6 10.778 -13.554 9.417 34 HB3 LYS 6 1HB LYS 6 11.940 -12.893 8.274 35 HG2 LYS 6 2HG LYS 6 12.877 -11.430 9.964 36 HG3 LYS 6 1HG LYS 6 11.596 -11.835 11.108 37 HD2 LYS 6 2HD LYS 6 13.650 -13.816 10.038 38 HD3 LYS 6 1HD LYS 6 13.764 -12.998 11.595 39 HE2 LYS 6 2HE LYS 6 11.707 -14.088 12.351 40 HE3 LYS 6 1HE LYS 6 11.505 -14.850 10.772 41 HZ1 LYS 6 1HZ LYS 6 12.440 -16.388 12.365 42 HZ2 LYS 6 2HZ LYS 6 13.728 -15.347 12.679 43 HZ3 LYS 6 3HZ LYS 6 13.585 -16.062 11.161 44 H ASP 7 H ASP 7 11.710 -10.932 6.751 45 HA ASP 7 HA ASP 7 12.585 -8.342 7.810 46 HB2 ASP 7 2HB ASP 7 13.439 -9.886 5.316 47 HB3 ASP 7 1HB ASP 7 14.160 -8.375 5.868 48 H VAL 8 H VAL 8 11.477 -9.509 4.604 49 HA VAL 8 HA VAL 8 10.003 -6.964 4.209 50 HB VAL 8 HB VAL 8 12.034 -6.914 2.865 51 HG11 VAL 8 1HG1 VAL 8 12.558 -8.536 1.098 52 HG12 VAL 8 2HG1 VAL 8 11.184 -9.528 1.595 53 HG13 VAL 8 3HG1 VAL 8 12.543 -9.293 2.694 54 HG21 VAL 8 1HG2 VAL 8 9.616 -7.420 1.102 55 HG22 VAL 8 2HG2 VAL 8 11.081 -6.558 0.624 56 HG23 VAL 8 3HG2 VAL 8 10.042 -5.895 1.884 57 H LYS 9 H LYS 9 7.867 -7.315 3.979 58 HA LYS 9 HA LYS 9 6.849 -10.024 3.813 59 HB2 LYS 9 2HB LYS 9 5.363 -7.380 4.080 60 HB3 LYS 9 1HB LYS 9 4.641 -8.980 4.251 61 HG2 LYS 9 2HG LYS 9 6.220 -9.389 6.188 62 HG3 LYS 9 1HG LYS 9 6.709 -7.696 6.056 63 HD2 LYS 9 2HD LYS 9 4.340 -7.009 6.463 64 HD3 LYS 9 1HD LYS 9 3.903 -8.710 6.663 65 HE2 LYS 9 2HE LYS 9 5.814 -7.120 8.407 66 HE3 LYS 9 1HE LYS 9 4.198 -7.668 8.847 67 HZ1 LYS 9 1HZ LYS 9 4.967 -9.954 8.670 68 HZ2 LYS 9 2HZ LYS 9 5.892 -9.097 9.790 69 HZ3 LYS 9 3HZ LYS 9 6.514 -9.431 8.254 70 H TYR 10 H TYR 10 6.367 -10.992 1.987 71 HA TYR 10 HA TYR 10 6.237 -9.562 -0.539 72 HB2 TYR 10 2HB TYR 10 6.459 -12.475 0.285 73 HB3 TYR 10 1HB TYR 10 5.949 -12.079 -1.350 74 HD1 TYR 10 HD1 TYR 10 7.595 -11.838 -2.992 75 HD2 TYR 10 HD2 TYR 10 8.703 -11.219 1.081 76 HE1 TYR 10 HE1 TYR 10 9.930 -11.523 -3.680 77 HE2 TYR 10 HE2 TYR 10 11.039 -10.912 0.395 78 HH TYR 10 HH TYR 10 11.961 -10.347 -2.770 79 H TYR 11 H TYR 11 4.371 -8.475 -0.497 80 HA TYR 11 HA TYR 11 1.762 -9.627 0.045 81 HB2 TYR 11 2HB TYR 11 2.896 -6.886 -0.573 82 HB3 TYR 11 1HB TYR 11 1.197 -7.144 -0.924 83 HD1 TYR 11 HD1 TYR 11 3.623 -7.730 1.926 84 HD2 TYR 11 HD2 TYR 11 -0.317 -6.575 0.733 85 HE1 TYR 11 HE1 TYR 11 3.025 -7.312 4.275 86 HE2 TYR 11 HE2 TYR 11 -0.897 -6.147 3.068 87 HH TYR 11 HH TYR 11 -0.219 -6.801 5.274 88 H THR 12 H THR 12 0.074 -9.807 -1.507 89 HA THR 12 HA THR 12 0.856 -9.593 -4.368 90 HB THR 12 HB THR 12 -1.098 -10.925 -4.931 91 HG1 THR 12 HG1 THR 12 -2.610 -11.556 -3.455 92 HG21 THR 12 1HG2 THR 12 0.316 -12.216 -2.584 93 HG22 THR 12 2HG2 THR 12 0.868 -12.234 -4.261 94 HG23 THR 12 3HG2 THR 12 -0.627 -13.060 -3.813 95 H LEU 13 H LEU 13 -0.360 -8.269 -5.717 96 HA LEU 13 HA LEU 13 -1.493 -5.936 -4.641 97 HB2 LEU 13 2HB LEU 13 -0.392 -6.200 -6.929 98 HB3 LEU 13 1HB LEU 13 -1.883 -6.940 -7.491 99 HG LEU 13 HG LEU 13 -3.115 -4.843 -7.133 100 HD11 LEU 13 1HD1 LEU 13 -0.521 -3.718 -6.023 101 HD12 LEU 13 2HD1 LEU 13 -2.002 -4.041 -5.116 102 HD13 LEU 13 3HD1 LEU 13 -1.988 -2.793 -6.355 103 HD21 LEU 13 1HD2 LEU 13 -2.050 -3.420 -8.804 104 HD22 LEU 13 2HD2 LEU 13 -1.893 -5.112 -9.281 105 HD23 LEU 13 3HD2 LEU 13 -0.512 -4.258 -8.586 106 H GLU 14 H GLU 14 -2.821 -9.019 -5.510 107 HA GLU 14 HA GLU 14 -5.587 -8.368 -5.584 108 HB2 GLU 14 2HB GLU 14 -4.462 -10.543 -6.387 109 HB3 GLU 14 1HB GLU 14 -4.414 -11.038 -4.702 110 HG2 GLU 14 2HG GLU 14 -6.329 -12.045 -5.790 111 HG3 GLU 14 1HG GLU 14 -6.894 -10.860 -4.610 112 H GLU 15 H GLU 15 -3.399 -9.436 -2.980 113 HA GLU 15 HA GLU 15 -5.228 -9.780 -0.885 114 HB2 GLU 15 2HB GLU 15 -2.917 -10.593 -0.814 115 HB3 GLU 15 1HB GLU 15 -2.296 -8.946 -0.784 116 HG2 GLU 15 2HG GLU 15 -3.205 -8.588 1.434 117 HG3 GLU 15 1HG GLU 15 -4.045 -10.138 1.387 118 H ILE 16 H ILE 16 -3.737 -6.889 -2.158 119 HA ILE 16 HA ILE 16 -4.685 -5.109 -0.085 120 HB ILE 16 HB ILE 16 -3.665 -4.326 -2.855 121 HG12 ILE 16 2HG1 ILE 16 -2.029 -4.658 -0.284 122 HG13 ILE 16 1HG1 ILE 16 -1.971 -5.755 -1.661 123 HG21 ILE 16 1HG2 ILE 16 -4.849 -2.536 -1.655 124 HG22 ILE 16 2HG2 ILE 16 -3.126 -2.171 -1.739 125 HG23 ILE 16 3HG2 ILE 16 -3.823 -2.780 -0.237 126 HD11 ILE 16 1HD1 ILE 16 -1.107 -3.946 -3.061 127 HD12 ILE 16 2HD1 ILE 16 -0.079 -4.259 -1.664 128 HD13 ILE 16 3HD1 ILE 16 -1.147 -2.856 -1.670 129 H GLN 17 H GLN 17 -5.770 -6.123 -3.334 130 HA GLN 17 HA GLN 17 -7.960 -4.286 -3.545 131 HB2 GLN 17 2HB GLN 17 -7.370 -6.868 -5.045 132 HB3 GLN 17 1HB GLN 17 -8.733 -5.815 -5.426 133 HG2 GLN 17 2HG GLN 17 -5.799 -5.043 -5.563 134 HG3 GLN 17 1HG GLN 17 -6.846 -5.395 -6.938 135 HE21 GLN 17 1HE2 GLN 17 -5.333 -2.928 -5.992 136 HE22 GLN 17 2HE2 GLN 17 -6.508 -1.659 -6.047 137 H LYS 18 H LYS 18 -7.540 -6.982 -1.590 138 HA LYS 18 HA LYS 18 -10.352 -7.520 -1.100 139 HB2 LYS 18 2HB LYS 18 -8.451 -9.191 -0.745 140 HB3 LYS 18 1HB LYS 18 -7.927 -8.223 0.623 141 HG2 LYS 18 2HG LYS 18 -10.163 -8.658 1.708 142 HG3 LYS 18 1HG LYS 18 -10.559 -9.731 0.366 143 HD2 LYS 18 2HD LYS 18 -8.682 -11.217 0.970 144 HD3 LYS 18 1HD LYS 18 -8.208 -10.114 2.267 145 HE2 LYS 18 2HE LYS 18 -10.338 -10.536 3.427 146 HE3 LYS 18 1HE LYS 18 -10.857 -11.597 2.116 147 HZ1 LYS 18 1HZ LYS 18 -9.996 -12.814 4.036 148 HZ2 LYS 18 2HZ LYS 18 -8.487 -12.078 3.844 149 HZ3 LYS 18 3HZ LYS 18 -9.076 -13.111 2.646 150 H HIS 19 H HIS 19 -9.205 -4.680 -0.879 151 HA HIS 19 HA HIS 19 -9.171 -3.913 1.848 152 HB2 HIS 19 2HB HIS 19 -9.408 -1.539 0.921 153 HB3 HIS 19 1HB HIS 19 -8.012 -2.453 0.392 154 HD1 HIS 19 HD1 HIS 19 -7.573 -2.436 -2.055 155 HD2 HIS 19 HD2 HIS 19 -11.504 -1.428 -1.191 156 HE1 HIS 19 HE1 HIS 19 -8.585 -1.704 -4.225 157 HE2 HIS 19 HE2 HIS 19 -10.865 -0.880 -3.611 158 H LYS 20 H LYS 20 -11.004 -4.948 2.685 159 HA LYS 20 HA LYS 20 -13.634 -3.684 2.136 160 HB2 LYS 20 2HB LYS 20 -12.995 -6.384 3.404 161 HB3 LYS 20 1HB LYS 20 -14.606 -5.746 3.122 162 HG2 LYS 20 2HG LYS 20 -12.604 -6.442 0.950 163 HG3 LYS 20 1HG LYS 20 -13.962 -7.453 1.455 164 HD2 LYS 20 2HD LYS 20 -15.533 -5.642 0.766 165 HD3 LYS 20 1HD LYS 20 -14.160 -4.682 0.208 166 HE2 LYS 20 2HE LYS 20 -13.615 -6.438 -1.454 167 HE3 LYS 20 1HE LYS 20 -14.993 -7.392 -0.894 168 HZ1 LYS 20 1HZ LYS 20 -15.561 -6.160 -2.872 169 HZ2 LYS 20 2HZ LYS 20 -15.119 -4.699 -2.155 170 HZ3 LYS 20 3HZ LYS 20 -16.457 -5.555 -1.569 171 H ASP 21 H ASP 21 -11.173 -3.154 4.052 172 HA ASP 21 HA ASP 21 -12.608 -1.860 6.133 173 HB2 ASP 21 2HB ASP 21 -12.588 -4.358 6.874 174 HB3 ASP 21 1HB ASP 21 -10.855 -4.174 7.098 175 H SER 22 H SER 22 -11.031 -0.803 7.680 176 HA SER 22 HA SER 22 -8.933 0.492 6.330 177 HB2 SER 22 2HB SER 22 -9.388 0.313 9.339 178 HB3 SER 22 1HB SER 22 -8.425 1.537 8.494 179 HG SER 22 HG SER 22 -10.777 1.580 7.351 180 H LYS 23 H LYS 23 -8.987 -2.334 8.460 181 HA LYS 23 HA LYS 23 -6.205 -2.528 8.972 182 HB2 LYS 23 2HB LYS 23 -6.661 -4.898 9.646 183 HB3 LYS 23 1HB LYS 23 -7.690 -3.715 10.425 184 HG2 LYS 23 2HG LYS 23 -9.145 -5.491 9.981 185 HG3 LYS 23 1HG LYS 23 -9.476 -4.351 8.684 186 HD2 LYS 23 2HD LYS 23 -9.439 -6.665 7.850 187 HD3 LYS 23 1HD LYS 23 -8.145 -5.714 7.119 188 HE2 LYS 23 2HE LYS 23 -7.283 -7.896 7.680 189 HE3 LYS 23 1HE LYS 23 -6.554 -6.726 8.777 190 HZ1 LYS 23 1HZ LYS 23 -7.183 -8.630 10.024 191 HZ2 LYS 23 2HZ LYS 23 -8.743 -8.645 9.380 192 HZ3 LYS 23 3HZ LYS 23 -8.278 -7.406 10.427 193 H SER 24 H SER 24 -8.128 -3.462 6.257 194 HA SER 24 HA SER 24 -5.738 -4.525 4.858 195 HB2 SER 24 2HB SER 24 -7.597 -6.154 4.896 196 HB3 SER 24 1HB SER 24 -8.705 -4.953 4.232 197 HG SER 24 HG SER 24 -6.498 -6.223 2.969 198 H THR 25 H THR 25 -5.110 -2.240 4.763 199 HA THR 25 HA THR 25 -5.979 -1.110 2.204 200 HB THR 25 HB THR 25 -5.818 0.634 4.721 201 HG1 THR 25 HG1 THR 25 -7.792 -0.619 4.502 202 HG21 THR 25 1HG2 THR 25 -6.562 2.472 3.247 203 HG22 THR 25 2HG2 THR 25 -6.535 1.387 1.855 204 HG23 THR 25 3HG2 THR 25 -5.030 1.810 2.671 205 H TRP 26 H TRP 26 -4.174 -1.013 1.086 206 HA TRP 26 HA TRP 26 -1.663 0.012 2.206 207 HB2 TRP 26 2HB TRP 26 -1.842 -2.645 0.690 208 HB3 TRP 26 1HB TRP 26 -0.351 -1.844 1.170 209 HD1 TRP 26 HD TRP 26 0.131 -1.768 3.911 210 HE1 TRP 26 HE1 TRP 26 -0.550 -3.405 5.761 211 HE3 TRP 26 HE3 TRP 26 -3.523 -4.294 1.413 212 HZ2 TRP 26 HZ2 TRP 26 -2.375 -5.522 6.109 213 HZ3 TRP 26 HZ3 TRP 26 -4.683 -6.138 2.562 214 HH2 TRP 26 HH TRP 26 -4.118 -6.738 4.866 215 H VAL 27 H VAL 27 -0.075 0.437 0.346 216 HA VAL 27 HA VAL 27 -1.319 0.743 -2.308 217 HB VAL 27 HB VAL 27 -0.299 3.054 -2.558 218 HG11 VAL 27 1HG1 VAL 27 -2.519 2.861 -0.486 219 HG12 VAL 27 2HG1 VAL 27 -2.715 2.830 -2.238 220 HG13 VAL 27 3HG1 VAL 27 -2.120 4.289 -1.450 221 HG21 VAL 27 1HG2 VAL 27 -0.008 2.927 0.469 222 HG22 VAL 27 2HG2 VAL 27 0.255 4.358 -0.532 223 HG23 VAL 27 3HG2 VAL 27 1.308 2.955 -0.708 224 H ILE 28 H ILE 28 0.232 0.923 -4.024 225 HA ILE 28 HA ILE 28 3.019 0.212 -3.307 226 HB ILE 28 HB ILE 28 3.126 -1.344 -5.201 227 HG12 ILE 28 2HG1 ILE 28 0.611 -2.037 -6.094 228 HG13 ILE 28 1HG1 ILE 28 0.363 -0.314 -5.863 229 HG21 ILE 28 1HG2 ILE 28 0.816 -1.883 -3.307 230 HG22 ILE 28 2HG2 ILE 28 2.526 -2.253 -3.044 231 HG23 ILE 28 3HG2 ILE 28 1.621 -3.109 -4.287 232 HD11 ILE 28 1HD1 ILE 28 0.947 -0.883 -8.165 233 HD12 ILE 28 2HD1 ILE 28 2.472 -1.575 -7.618 234 HD13 ILE 28 3HD1 ILE 28 2.178 0.157 -7.444 235 H LEU 29 H LEU 29 4.570 1.354 -4.349 236 HA LEU 29 HA LEU 29 3.749 3.534 -6.129 237 HB2 LEU 29 2HB LEU 29 5.857 4.494 -5.826 238 HB3 LEU 29 1HB LEU 29 5.552 3.737 -4.278 239 HG LEU 29 HG LEU 29 7.384 2.592 -6.436 240 HD11 LEU 29 1HD1 LEU 29 9.256 3.265 -4.990 241 HD12 LEU 29 2HD1 LEU 29 8.130 4.046 -3.877 242 HD13 LEU 29 3HD1 LEU 29 8.321 4.665 -5.520 243 HD21 LEU 29 1HD2 LEU 29 6.955 1.700 -3.570 244 HD22 LEU 29 2HD2 LEU 29 8.167 1.056 -4.679 245 HD23 LEU 29 3HD2 LEU 29 6.453 0.832 -5.023 246 H HIS 30 H HIS 30 4.961 0.352 -6.352 247 HA HIS 30 HA HIS 30 4.906 0.001 -9.105 248 HB2 HIS 30 2HB HIS 30 6.839 1.544 -9.210 249 HB3 HIS 30 1HB HIS 30 7.723 0.572 -8.045 250 HD1 HIS 30 HD1 HIS 30 9.668 0.101 -9.604 251 HD2 HIS 30 HD2 HIS 30 6.016 -1.090 -11.198 252 HE1 HIS 30 HE1 HIS 30 10.228 -1.238 -11.650 253 HE2 HIS 30 HE2 HIS 30 8.007 -1.928 -12.605 254 H HIS 31 H HIS 31 7.250 -0.902 -6.540 255 HA HIS 31 HA HIS 31 6.512 -3.769 -6.813 256 HB2 HIS 31 2HB HIS 31 8.527 -3.410 -8.139 257 HB3 HIS 31 1HB HIS 31 9.302 -2.526 -6.835 258 HD1 HIS 31 HD1 HIS 31 11.110 -3.894 -5.841 259 HD2 HIS 31 HD2 HIS 31 7.903 -6.248 -7.039 260 HE1 HIS 31 HE1 HIS 31 11.717 -6.243 -5.195 261 HE2 HIS 31 HE2 HIS 31 9.649 -7.572 -5.676 262 H LYS 32 H LYS 32 7.115 -1.128 -4.702 263 HA LYS 32 HA LYS 32 7.420 -2.945 -2.373 264 HB2 LYS 32 2HB LYS 32 8.070 0.032 -2.600 265 HB3 LYS 32 1HB LYS 32 8.181 -0.900 -1.115 266 HG2 LYS 32 2HG LYS 32 9.818 -1.389 -3.623 267 HG3 LYS 32 1HG LYS 32 10.388 -0.588 -2.153 268 HD2 LYS 32 2HD LYS 32 10.027 -2.653 -0.863 269 HD3 LYS 32 1HD LYS 32 9.379 -3.453 -2.295 270 HE2 LYS 32 2HE LYS 32 11.566 -3.290 -3.389 271 HE3 LYS 32 1HE LYS 32 12.215 -2.443 -1.982 272 HZ1 LYS 32 1HZ LYS 32 12.820 -4.753 -1.878 273 HZ2 LYS 32 2HZ LYS 32 11.213 -5.248 -2.029 274 HZ3 LYS 32 3HZ LYS 32 11.717 -4.430 -0.637 275 H VAL 33 H VAL 33 5.849 -3.068 -0.896 276 HA VAL 33 HA VAL 33 3.411 -1.459 -1.248 277 HB VAL 33 HB VAL 33 3.126 -3.907 -1.277 278 HG11 VAL 33 1HG1 VAL 33 3.476 -5.304 0.717 279 HG12 VAL 33 2HG1 VAL 33 4.188 -3.930 1.564 280 HG13 VAL 33 3HG1 VAL 33 4.985 -4.600 0.141 281 HG21 VAL 33 1HG2 VAL 33 1.875 -2.665 1.198 282 HG22 VAL 33 2HG2 VAL 33 1.297 -4.112 0.365 283 HG23 VAL 33 3HG2 VAL 33 1.260 -2.549 -0.452 284 H TYR 34 H TYR 34 2.630 -0.172 0.335 285 HA TYR 34 HA TYR 34 4.255 0.328 2.758 286 HB2 TYR 34 2HB TYR 34 2.601 2.313 1.117 287 HB3 TYR 34 1HB TYR 34 3.544 2.700 2.554 288 HD1 TYR 34 HD1 TYR 34 3.715 1.897 -1.049 289 HD2 TYR 34 HD2 TYR 34 5.996 2.831 2.449 290 HE1 TYR 34 HE1 TYR 34 5.669 2.372 -2.451 291 HE2 TYR 34 HE2 TYR 34 7.952 3.305 1.038 292 HH TYR 34 HH TYR 34 7.762 3.686 -2.314 293 H ASP 35 H ASP 35 3.057 0.938 4.626 294 HA ASP 35 HA ASP 35 0.525 -0.491 4.795 295 HB2 ASP 35 2HB ASP 35 2.387 -0.874 6.473 296 HB3 ASP 35 1HB ASP 35 2.131 0.770 7.062 297 H LEU 36 H LEU 36 -0.929 0.811 3.846 298 HA LEU 36 HA LEU 36 -1.165 3.636 4.421 299 HB2 LEU 36 2HB LEU 36 -1.674 2.194 2.193 300 HB3 LEU 36 1HB LEU 36 -3.277 2.122 2.887 301 HG LEU 36 HG LEU 36 -3.048 3.911 1.187 302 HD11 LEU 36 1HD1 LEU 36 -4.692 4.217 2.971 303 HD12 LEU 36 2HD1 LEU 36 -4.050 5.749 2.388 304 HD13 LEU 36 3HD1 LEU 36 -3.496 5.091 3.931 305 HD21 LEU 36 1HD2 LEU 36 -1.056 5.219 3.064 306 HD22 LEU 36 2HD2 LEU 36 -1.674 5.887 1.550 307 HD23 LEU 36 3HD2 LEU 36 -0.669 4.445 1.529 308 H THR 37 H THR 37 -2.396 0.691 5.685 309 HA THR 37 HA THR 37 -4.785 1.281 6.917 310 HB THR 37 HB THR 37 -2.467 -0.429 7.921 311 HG1 THR 37 HG1 THR 37 -4.704 -0.879 6.271 312 HG21 THR 37 1HG2 THR 37 -4.084 -1.599 9.369 313 HG22 THR 37 2HG2 THR 37 -5.352 -0.465 8.901 314 HG23 THR 37 3HG2 THR 37 -3.963 0.101 9.832 315 H LYS 38 H LYS 38 -1.489 1.799 8.319 316 HA LYS 38 HA LYS 38 -2.415 3.280 10.589 317 HB2 LYS 38 2HB LYS 38 0.346 3.140 9.303 318 HB3 LYS 38 1HB LYS 38 0.019 3.988 10.804 319 HG2 LYS 38 2HG LYS 38 -0.495 1.022 10.479 320 HG3 LYS 38 1HG LYS 38 1.068 1.663 10.969 321 HD2 LYS 38 2HD LYS 38 -0.071 0.991 12.962 322 HD3 LYS 38 1HD LYS 38 -0.080 2.752 12.944 323 HE2 LYS 38 2HE LYS 38 -2.244 1.830 13.700 324 HE3 LYS 38 1HE LYS 38 -2.419 2.749 12.192 325 HZ1 LYS 38 1HZ LYS 38 -2.396 0.620 10.990 326 HZ2 LYS 38 2HZ LYS 38 -3.680 0.721 12.080 327 HZ3 LYS 38 3HZ LYS 38 -2.325 -0.225 12.454 328 H PHE 39 H PHE 39 -1.340 4.085 7.392 329 HA PHE 39 HA PHE 39 -0.644 6.772 7.745 330 HB2 PHE 39 2HB PHE 39 -0.015 5.146 5.874 331 HB3 PHE 39 1HB PHE 39 -1.590 5.458 5.168 332 HD1 PHE 39 HD1 PHE 39 -2.016 7.537 3.959 333 HD2 PHE 39 HD2 PHE 39 1.729 6.892 5.915 334 HE1 PHE 39 HE1 PHE 39 -1.017 9.378 2.683 335 HE2 PHE 39 HE2 PHE 39 2.715 8.747 4.642 336 HZ PHE 39 HZ PHE 39 1.339 9.980 3.018 337 H LEU 40 H LEU 40 -3.763 5.266 6.915 338 HA LEU 40 HA LEU 40 -5.118 7.739 6.345 339 HB2 LEU 40 2HB LEU 40 -7.162 6.432 6.202 340 HB3 LEU 40 1HB LEU 40 -5.872 5.634 5.336 341 HG LEU 40 HG LEU 40 -5.703 4.228 7.651 342 HD11 LEU 40 1HD1 LEU 40 -8.641 4.971 7.569 343 HD12 LEU 40 2HD1 LEU 40 -7.479 5.410 8.825 344 HD13 LEU 40 3HD1 LEU 40 -7.906 3.721 8.583 345 HD21 LEU 40 1HD2 LEU 40 -7.734 3.595 5.485 346 HD22 LEU 40 2HD2 LEU 40 -7.045 2.447 6.639 347 HD23 LEU 40 3HD2 LEU 40 -6.009 3.217 5.440 348 H GLU 41 H GLU 41 -4.630 5.725 9.158 349 HA GLU 41 HA GLU 41 -6.432 7.072 10.939 350 HB2 GLU 41 2HB GLU 41 -4.083 5.207 11.517 351 HB3 GLU 41 1HB GLU 41 -5.255 5.740 12.720 352 HG2 GLU 41 2HG GLU 41 -7.056 4.573 11.517 353 HG3 GLU 41 1HG GLU 41 -5.921 4.094 10.258 354 H GLU 42 H GLU 42 -3.097 7.616 9.975 355 HA GLU 42 HA GLU 42 -2.170 9.056 12.210 356 HB2 GLU 42 2HB GLU 42 -1.247 9.261 9.316 357 HB3 GLU 42 1HB GLU 42 -0.387 9.945 10.689 358 HG2 GLU 42 2HG GLU 42 -0.853 7.024 10.096 359 HG3 GLU 42 1HG GLU 42 0.671 7.889 10.013 360 H TRP 43 H TRP 43 -2.851 10.543 9.030 361 HA TRP 43 HA TRP 43 -3.515 13.081 10.423 362 HB2 TRP 43 2HB TRP 43 -2.236 12.673 7.693 363 HB3 TRP 43 1HB TRP 43 -2.833 14.223 8.251 364 HD1 TRP 43 HD TRP 43 -0.552 11.699 10.163 365 HE1 TRP 43 HE1 TRP 43 1.610 12.916 10.817 366 HE3 TRP 43 HE3 TRP 43 -1.466 16.228 7.970 367 HZ2 TRP 43 HZ2 TRP 43 2.779 15.454 10.472 368 HZ3 TRP 43 HZ3 TRP 43 0.232 18.002 8.177 369 HH2 TRP 43 HH TRP 43 2.313 17.623 9.403 370 HA PRO 44 HA PRO 44 -6.515 12.996 6.451 371 HB2 PRO 44 2HB PRO 44 -6.937 10.012 6.198 372 HB3 PRO 44 1HB PRO 44 -6.862 11.262 4.933 373 HG2 PRO 44 2HG PRO 44 -4.803 9.634 5.292 374 HG3 PRO 44 1HG PRO 44 -4.530 11.364 4.967 375 HD2 PRO 44 2HD PRO 44 -4.377 9.887 7.580 376 HD3 PRO 44 1HD PRO 44 -3.311 11.154 6.935 377 H GLY 45 H GLY 45 -6.836 10.410 8.888 378 HA2 GLY 45 2HA GLY 45 -8.564 9.678 10.191 379 HA3 GLY 45 1HA GLY 45 -9.145 11.334 10.168 380 H GLY 46 H GLY 46 -8.827 9.445 7.229 381 HA2 GLY 46 2HA GLY 46 -11.697 8.919 7.043 382 HA3 GLY 46 1HA GLY 46 -10.977 10.012 5.868 383 H GLU 47 H GLU 47 -11.685 6.829 6.574 384 HA GLU 47 HA GLU 47 -9.668 5.450 5.102 385 HB2 GLU 47 2HB GLU 47 -11.036 4.278 6.764 386 HB3 GLU 47 1HB GLU 47 -12.513 4.689 5.900 387 HG2 GLU 47 2HG GLU 47 -11.486 3.290 3.937 388 HG3 GLU 47 1HG GLU 47 -10.398 2.658 5.169 389 H GLU 48 H GLU 48 -12.879 6.769 4.330 390 HA GLU 48 HA GLU 48 -13.430 5.371 1.988 391 HB2 GLU 48 2HB GLU 48 -15.179 7.061 1.575 392 HB3 GLU 48 1HB GLU 48 -15.139 6.561 3.261 393 HG2 GLU 48 2HG GLU 48 -13.867 8.622 3.829 394 HG3 GLU 48 1HG GLU 48 -13.990 9.133 2.144 395 H VAL 49 H VAL 49 -11.530 8.320 2.311 396 HA VAL 49 HA VAL 49 -11.704 9.208 -0.391 397 HB VAL 49 HB VAL 49 -11.123 10.730 1.469 398 HG11 VAL 49 1HG1 VAL 49 -8.916 10.752 2.521 399 HG12 VAL 49 2HG1 VAL 49 -8.445 9.312 1.617 400 HG13 VAL 49 3HG1 VAL 49 -9.732 9.215 2.821 401 HG21 VAL 49 1HG2 VAL 49 -9.333 12.025 0.379 402 HG22 VAL 49 2HG2 VAL 49 -10.471 11.392 -0.812 403 HG23 VAL 49 3HG2 VAL 49 -8.902 10.617 -0.600 404 H LEU 50 H LEU 50 -9.600 6.923 1.239 405 HA LEU 50 HA LEU 50 -7.847 6.642 -1.137 406 HB2 LEU 50 2HB LEU 50 -6.157 5.767 0.665 407 HB3 LEU 50 1HB LEU 50 -6.440 7.484 0.476 408 HG LEU 50 HG LEU 50 -8.138 7.236 2.443 409 HD11 LEU 50 1HD1 LEU 50 -7.687 5.450 4.041 410 HD12 LEU 50 2HD1 LEU 50 -6.552 4.706 2.913 411 HD13 LEU 50 3HD1 LEU 50 -8.265 4.812 2.503 412 HD21 LEU 50 1HD2 LEU 50 -6.049 8.496 2.624 413 HD22 LEU 50 2HD2 LEU 50 -5.160 7.017 2.991 414 HD23 LEU 50 3HD2 LEU 50 -6.379 7.614 4.116 415 H ARG 51 H ARG 51 -10.037 4.947 0.906 416 HA ARG 51 HA ARG 51 -9.154 2.265 0.563 417 HB2 ARG 51 2HB ARG 51 -10.797 2.836 2.303 418 HB3 ARG 51 1HB ARG 51 -11.965 3.359 1.105 419 HG2 ARG 51 2HG ARG 51 -11.033 0.488 1.036 420 HG3 ARG 51 1HG ARG 51 -12.155 0.974 2.304 421 HD2 ARG 51 2HD ARG 51 -13.829 1.608 0.679 422 HD3 ARG 51 1HD ARG 51 -12.690 1.414 -0.658 423 HE ARG 51 HE ARG 51 -13.245 -0.932 0.964 424 HH11 ARG 51 1HH1 ARG 51 -13.986 0.772 -2.039 425 HH12 ARG 51 2HH1 ARG 51 -14.641 -0.647 -2.796 426 HH21 ARG 51 1HH2 ARG 51 -14.054 -2.745 -0.064 427 HH22 ARG 51 2HH2 ARG 51 -14.678 -2.634 -1.681 428 H GLU 52 H GLU 52 -11.416 4.302 -1.211 429 HA GLU 52 HA GLU 52 -12.282 2.595 -3.225 430 HB2 GLU 52 2HB GLU 52 -12.834 4.641 -4.497 431 HB3 GLU 52 1HB GLU 52 -13.266 4.812 -2.797 432 HG2 GLU 52 2HG GLU 52 -11.301 6.182 -2.373 433 HG3 GLU 52 1HG GLU 52 -10.720 5.919 -4.016 434 H GLN 53 H GLN 53 -9.063 3.663 -2.792 435 HA GLN 53 HA GLN 53 -8.258 2.530 -5.364 436 HB2 GLN 53 2HB GLN 53 -6.669 4.532 -5.680 437 HB3 GLN 53 1HB GLN 53 -8.373 4.810 -6.019 438 HG2 GLN 53 2HG GLN 53 -8.664 5.897 -3.847 439 HG3 GLN 53 1HG GLN 53 -6.985 5.563 -3.432 440 HE21 GLN 53 1HE2 GLN 53 -5.737 6.205 -5.831 441 HE22 GLN 53 2HE2 GLN 53 -5.861 7.915 -6.052 442 H ALA 54 H ALA 54 -8.055 1.523 -2.687 443 HA ALA 54 HA ALA 54 -5.346 1.810 -1.755 444 HB1 ALA 54 1HB ALA 54 -7.391 -0.324 -1.062 445 HB2 ALA 54 2HB ALA 54 -7.159 1.200 -0.203 446 HB3 ALA 54 3HB ALA 54 -5.878 -0.016 -0.202 447 H GLY 55 H GLY 55 -3.636 1.012 -2.793 448 HA2 GLY 55 2HA GLY 55 -2.281 -0.768 -3.606 449 HA3 GLY 55 1HA GLY 55 -3.724 -1.616 -4.152 450 H GLY 56 H GLY 56 -4.143 1.567 -4.994 451 HA2 GLY 56 2HA GLY 56 -3.593 1.162 -7.777 452 HA3 GLY 56 1HA GLY 56 -4.090 2.666 -7.013 453 H ASP 57 H ASP 57 -2.360 3.756 -5.671 454 HA ASP 57 HA ASP 57 0.351 3.380 -6.672 455 HB2 ASP 57 2HB ASP 57 -0.631 4.850 -8.378 456 HB3 ASP 57 1HB ASP 57 -1.219 5.954 -7.136 457 H ALA 58 H ALA 58 1.906 4.563 -5.543 458 HA ALA 58 HA ALA 58 1.161 5.722 -2.940 459 HB1 ALA 58 1HB ALA 58 3.643 4.068 -3.561 460 HB2 ALA 58 2HB ALA 58 2.270 3.534 -2.597 461 HB3 ALA 58 3HB ALA 58 3.281 4.862 -2.024 462 H THR 59 H THR 59 3.452 5.559 -5.660 463 HA THR 59 HA THR 59 5.492 7.184 -5.194 464 HB THR 59 HB THR 59 3.916 7.393 -7.807 465 HG1 THR 59 HG1 THR 59 4.275 5.325 -7.899 466 HG21 THR 59 1HG2 THR 59 6.124 7.740 -8.856 467 HG22 THR 59 2HG2 THR 59 6.911 7.647 -7.280 468 HG23 THR 59 3HG2 THR 59 5.822 8.988 -7.645 469 H GLU 60 H GLU 60 2.479 8.469 -6.558 470 HA GLU 60 HA GLU 60 3.106 11.214 -5.630 471 HB2 GLU 60 2HB GLU 60 1.370 10.292 -7.977 472 HB3 GLU 60 1HB GLU 60 1.714 11.966 -7.546 473 HG2 GLU 60 2HG GLU 60 4.103 11.636 -8.064 474 HG3 GLU 60 1HG GLU 60 3.796 9.940 -8.432 475 H ASN 61 H ASN 61 0.984 8.496 -5.276 476 HA ASN 61 HA ASN 61 -1.432 10.075 -4.861 477 HB2 ASN 61 2HB ASN 61 -1.361 7.848 -6.113 478 HB3 ASN 61 1HB ASN 61 -1.190 7.062 -4.547 479 HD21 ASN 61 1HD2 ASN 61 -3.003 6.925 -3.200 480 HD22 ASN 61 2HD2 ASN 61 -4.590 7.381 -3.712 481 H PHE 62 H PHE 62 0.999 8.626 -2.777 482 HA PHE 62 HA PHE 62 -0.532 8.398 -0.415 483 HB2 PHE 62 2HB PHE 62 1.654 8.487 0.852 484 HB3 PHE 62 1HB PHE 62 1.582 7.269 -0.402 485 HD1 PHE 62 HD1 PHE 62 2.572 10.931 -0.691 486 HD2 PHE 62 HD2 PHE 62 3.821 6.850 -0.958 487 HE1 PHE 62 HE1 PHE 62 4.768 11.654 -1.511 488 HE2 PHE 62 HE2 PHE 62 6.025 7.593 -1.790 489 HZ PHE 62 HZ PHE 62 6.495 9.991 -2.062 490 H GLU 63 H GLU 63 0.835 11.107 -2.040 491 HA GLU 63 HA GLU 63 0.470 13.022 0.114 492 HB2 GLU 63 2HB GLU 63 2.333 13.260 -1.514 493 HB3 GLU 63 1HB GLU 63 1.178 13.400 -2.834 494 HG2 GLU 63 2HG GLU 63 0.291 15.489 -1.776 495 HG3 GLU 63 1HG GLU 63 1.566 15.370 -0.561 496 H ASP 64 H ASP 64 -1.069 12.090 -2.920 497 HA ASP 64 HA ASP 64 -2.876 14.163 -3.307 498 HB2 ASP 64 2HB ASP 64 -2.317 12.390 -4.996 499 HB3 ASP 64 1HB ASP 64 -3.226 11.222 -4.054 500 H VAL 65 H VAL 65 -3.519 11.000 -1.816 501 HA VAL 65 HA VAL 65 -6.116 11.911 -0.745 502 HB VAL 65 HB VAL 65 -6.573 9.500 -0.375 503 HG11 VAL 65 1HG1 VAL 65 -5.593 10.159 -3.174 504 HG12 VAL 65 2HG1 VAL 65 -7.182 10.541 -2.502 505 HG13 VAL 65 3HG1 VAL 65 -6.716 8.860 -2.749 506 HG21 VAL 65 1HG2 VAL 65 -5.022 7.771 -1.261 507 HG22 VAL 65 2HG2 VAL 65 -4.293 8.678 0.062 508 HG23 VAL 65 3HG2 VAL 65 -3.818 9.021 -1.601 509 H GLY 66 H GLY 66 -2.977 11.669 0.337 510 HA2 GLY 66 2HA GLY 66 -3.628 10.665 3.045 511 HA3 GLY 66 1HA GLY 66 -2.039 10.772 2.324 512 H PHE 67 H PHE 67 -0.792 12.512 2.741 513 HA PHE 67 HA PHE 67 -1.865 14.547 4.616 514 HB2 PHE 67 2HB PHE 67 1.080 13.892 4.079 515 HB3 PHE 67 1HB PHE 67 0.430 14.835 5.409 516 HD1 PHE 67 HD1 PHE 67 -1.643 11.957 5.229 517 HD2 PHE 67 HD2 PHE 67 2.300 13.160 6.355 518 HE1 PHE 67 HE1 PHE 67 -1.444 9.969 6.649 519 HE2 PHE 67 HE2 PHE 67 2.472 11.166 7.777 520 HZ PHE 67 HZ PHE 67 0.617 9.567 7.925 521 H SER 68 H SER 68 0.067 16.566 4.292 522 HA SER 68 HA SER 68 -0.043 17.517 1.542 523 HB2 SER 68 2HB SER 68 1.585 18.507 3.940 524 HB3 SER 68 1HB SER 68 1.387 19.369 2.409 525 HG SER 68 HG SER 68 -0.974 19.158 2.929 526 H THR 69 H THR 69 2.916 18.385 1.632 527 HA THR 69 HA THR 69 4.116 16.160 0.342 528 HB THR 69 HB THR 69 6.257 17.547 0.547 529 HG1 THR 69 HG1 THR 69 5.799 18.676 2.457 530 HG21 THR 69 1HG2 THR 69 3.812 19.016 -0.545 531 HG22 THR 69 2HG2 THR 69 4.777 17.828 -1.426 532 HG23 THR 69 3HG2 THR 69 5.492 19.370 -0.954 533 H ASP 70 H ASP 70 3.668 16.807 3.676 534 HA ASP 70 HA ASP 70 5.805 15.542 4.956 535 HB2 ASP 70 2HB ASP 70 2.887 15.317 5.838 536 HB3 ASP 70 1HB ASP 70 4.318 15.192 6.858 537 H ALA 71 H ALA 71 3.139 14.253 3.182 538 HA ALA 71 HA ALA 71 2.839 11.660 4.047 539 HB1 ALA 71 1HB ALA 71 1.352 12.766 2.444 540 HB2 ALA 71 2HB ALA 71 1.902 11.210 1.816 541 HB3 ALA 71 3HB ALA 71 2.609 12.709 1.209 542 H ARG 72 H ARG 72 5.429 12.998 2.095 543 HA ARG 72 HA ARG 72 6.429 10.651 0.892 544 HB2 ARG 72 2HB ARG 72 7.943 13.174 1.711 545 HB3 ARG 72 1HB ARG 72 8.540 11.941 0.602 546 HG2 ARG 72 2HG ARG 72 6.684 12.450 -0.960 547 HG3 ARG 72 1HG ARG 72 6.117 13.708 0.149 548 HD2 ARG 72 2HD ARG 72 7.455 14.663 -1.688 549 HD3 ARG 72 1HD ARG 72 8.225 14.930 -0.125 550 HE ARG 72 HE ARG 72 9.934 13.486 -0.709 551 HH11 ARG 72 1HH1 ARG 72 7.508 13.479 -3.270 552 HH12 ARG 72 2HH1 ARG 72 8.551 12.677 -4.404 553 HH21 ARG 72 1HH2 ARG 72 11.257 12.405 -2.192 554 HH22 ARG 72 2HH2 ARG 72 10.663 12.072 -3.791 555 H GLU 73 H GLU 73 7.748 12.379 3.758 556 HA GLU 73 HA GLU 73 9.746 10.485 4.338 557 HB2 GLU 73 2HB GLU 73 8.487 12.556 6.192 558 HB3 GLU 73 1HB GLU 73 9.979 11.685 6.534 559 HG2 GLU 73 2HG GLU 73 10.947 12.697 4.427 560 HG3 GLU 73 1HG GLU 73 9.495 13.677 4.307 561 H LEU 74 H LEU 74 6.444 10.798 5.558 562 HA LEU 74 HA LEU 74 6.725 8.817 7.605 563 HB2 LEU 74 2HB LEU 74 4.328 10.254 6.438 564 HB3 LEU 74 1HB LEU 74 4.120 8.938 7.577 565 HG LEU 74 HG LEU 74 3.959 11.012 8.799 566 HD11 LEU 74 1HD1 LEU 74 5.061 9.188 10.000 567 HD12 LEU 74 2HD1 LEU 74 5.663 10.756 10.527 568 HD13 LEU 74 3HD1 LEU 74 6.644 9.755 9.453 569 HD21 LEU 74 1HD2 LEU 74 6.684 11.832 7.726 570 HD22 LEU 74 2HD2 LEU 74 5.729 12.717 8.920 571 HD23 LEU 74 3HD2 LEU 74 5.127 12.534 7.275 572 H SER 75 H SER 75 5.231 8.729 4.315 573 HA SER 75 HA SER 75 4.202 6.100 4.490 574 HB2 SER 75 2HB SER 75 4.023 6.139 2.041 575 HB3 SER 75 1HB SER 75 3.541 7.707 2.692 576 HG SER 75 HG SER 75 5.125 8.598 1.634 577 H LYS 76 H LYS 76 7.337 7.332 3.382 578 HA LYS 76 HA LYS 76 8.376 4.913 2.336 579 HB2 LYS 76 2HB LYS 76 9.747 7.426 3.358 580 HB3 LYS 76 1HB LYS 76 10.622 6.111 2.588 581 HG2 LYS 76 2HG LYS 76 8.452 7.792 1.299 582 HG3 LYS 76 1HG LYS 76 10.184 7.955 1.024 583 HD2 LYS 76 2HD LYS 76 8.484 5.535 0.311 584 HD3 LYS 76 1HD LYS 76 9.113 6.736 -0.817 585 HE2 LYS 76 2HE LYS 76 11.408 6.062 -0.324 586 HE3 LYS 76 1HE LYS 76 10.842 4.934 0.910 587 HZ1 LYS 76 1HZ LYS 76 10.244 4.757 -1.995 588 HZ2 LYS 76 2HZ LYS 76 9.711 3.678 -0.813 589 HZ3 LYS 76 3HZ LYS 76 11.359 3.804 -1.159 590 H LYS 77 H LYS 77 8.216 6.168 5.601 591 HA LYS 77 HA LYS 77 9.975 4.124 6.712 592 HB2 LYS 77 2HB LYS 77 8.243 6.250 8.035 593 HB3 LYS 77 1HB LYS 77 9.294 5.140 8.912 594 HG2 LYS 77 2HG LYS 77 11.265 6.073 7.678 595 HG3 LYS 77 1HG LYS 77 10.183 7.227 6.894 596 HD2 LYS 77 2HD LYS 77 11.356 8.269 8.797 597 HD3 LYS 77 1HD LYS 77 9.616 8.209 9.088 598 HE2 LYS 77 2HE LYS 77 9.909 6.249 10.544 599 HE3 LYS 77 1HE LYS 77 11.642 6.239 10.205 600 HZ1 LYS 77 1HZ LYS 77 11.832 8.397 11.252 601 HZ2 LYS 77 2HZ LYS 77 11.146 7.285 12.322 602 HZ3 LYS 77 3HZ LYS 77 10.174 8.439 11.559 603 H TYR 78 H TYR 78 6.599 4.516 6.017 604 HA TYR 78 HA TYR 78 5.723 2.346 7.765 605 HB2 TYR 78 2HB TYR 78 4.159 3.957 5.709 606 HB3 TYR 78 1HB TYR 78 3.458 2.752 6.782 607 HD1 TYR 78 HD1 TYR 78 5.786 4.360 8.844 608 HD2 TYR 78 HD2 TYR 78 2.060 5.121 6.880 609 HE1 TYR 78 HE1 TYR 78 5.315 6.165 10.436 610 HE2 TYR 78 HE2 TYR 78 1.590 6.920 8.478 611 HH TYR 78 HH TYR 78 2.289 7.642 10.744 612 H ILE 79 H ILE 79 7.563 2.137 5.207 613 HA ILE 79 HA ILE 79 6.225 0.435 3.392 614 HB ILE 79 HB ILE 79 8.324 1.552 2.771 615 HG12 ILE 79 2HG1 ILE 79 8.668 -1.479 2.683 616 HG13 ILE 79 1HG1 ILE 79 7.675 -0.542 1.575 617 HG21 ILE 79 1HG2 ILE 79 9.778 -0.260 4.724 618 HG22 ILE 79 2HG2 ILE 79 9.523 1.474 4.918 619 HG23 ILE 79 3HG2 ILE 79 10.533 0.877 3.601 620 HD11 ILE 79 1HD1 ILE 79 9.773 -1.143 0.551 621 HD12 ILE 79 2HD1 ILE 79 10.676 -0.363 1.848 622 HD13 ILE 79 3HD1 ILE 79 9.681 0.606 0.755 623 H ILE 80 H ILE 80 5.325 -1.445 3.901 624 HA ILE 80 HA ILE 80 6.052 -2.819 6.379 625 HB ILE 80 HB ILE 80 3.694 -2.214 5.970 626 HG12 ILE 80 2HG1 ILE 80 4.051 -5.239 6.040 627 HG13 ILE 80 1HG1 ILE 80 4.283 -4.172 7.418 628 HG21 ILE 80 1HG2 ILE 80 3.731 -4.186 3.664 629 HG22 ILE 80 2HG2 ILE 80 3.603 -2.430 3.526 630 HG23 ILE 80 3HG2 ILE 80 2.308 -3.351 4.293 631 HD11 ILE 80 1HD1 ILE 80 2.136 -5.268 7.503 632 HD12 ILE 80 2HD1 ILE 80 1.692 -4.589 5.938 633 HD13 ILE 80 3HD1 ILE 80 1.940 -3.527 7.327 634 H GLY 81 H GLY 81 6.332 -3.200 2.965 635 HA2 GLY 81 2HA GLY 81 8.184 -5.313 3.088 636 HA3 GLY 81 1HA GLY 81 6.594 -5.993 2.707 637 H GLU 82 H GLU 82 7.457 -6.627 0.656 638 HA GLU 82 HA GLU 82 7.270 -4.423 -1.313 639 HB2 GLU 82 2HB GLU 82 8.666 -5.662 -2.854 640 HB3 GLU 82 1HB GLU 82 9.527 -5.457 -1.334 641 HG2 GLU 82 2HG GLU 82 9.051 -7.792 -0.736 642 HG3 GLU 82 1HG GLU 82 8.143 -8.005 -2.228 643 H LEU 83 H LEU 83 5.870 -4.692 -2.957 644 HA LEU 83 HA LEU 83 3.923 -6.797 -2.965 645 HB2 LEU 83 2HB LEU 83 3.858 -4.262 -3.854 646 HB3 LEU 83 1HB LEU 83 4.451 -4.978 -5.338 647 HG LEU 83 HG LEU 83 1.988 -4.594 -5.321 648 HD11 LEU 83 1HD1 LEU 83 1.245 -6.734 -6.210 649 HD12 LEU 83 2HD1 LEU 83 2.651 -7.544 -5.512 650 HD13 LEU 83 3HD1 LEU 83 2.864 -6.349 -6.790 651 HD21 LEU 83 1HD2 LEU 83 1.924 -6.685 -3.128 652 HD22 LEU 83 2HD2 LEU 83 0.517 -6.002 -3.947 653 HD23 LEU 83 3HD2 LEU 83 1.547 -4.967 -2.959 654 H HIS 84 H HIS 84 3.836 -8.566 -4.463 655 HA HIS 84 HA HIS 84 6.187 -9.718 -5.488 656 HB2 HIS 84 2HB HIS 84 3.259 -10.189 -6.196 657 HB3 HIS 84 1HB HIS 84 4.554 -11.127 -6.927 658 HD1 HIS 84 HD1 HIS 84 2.699 -12.849 -5.615 659 HD2 HIS 84 HD2 HIS 84 5.659 -10.923 -3.424 660 HE1 HIS 84 HE1 HIS 84 2.982 -14.215 -3.525 661 HE2 HIS 84 HE2 HIS 84 4.950 -13.177 -2.365 662 HA PRO 85 HA PRO 85 6.775 -7.071 -9.165 663 HB2 PRO 85 2HB PRO 85 8.406 -8.895 -10.557 664 HB3 PRO 85 1HB PRO 85 8.984 -7.718 -9.363 665 HG2 PRO 85 2HG PRO 85 8.358 -10.626 -8.978 666 HG3 PRO 85 1HG PRO 85 9.716 -9.671 -8.336 667 HD2 PRO 85 2HD PRO 85 7.628 -10.292 -6.769 668 HD3 PRO 85 1HD PRO 85 8.398 -8.692 -6.648 669 H ASP 86 H ASP 86 5.621 -10.382 -9.144 670 HA ASP 86 HA ASP 86 4.730 -10.478 -11.878 671 HB2 ASP 86 2HB ASP 86 5.420 -12.492 -10.517 672 HB3 ASP 86 1HB ASP 86 3.953 -12.307 -9.561 673 H ASP 87 H ASP 87 3.212 -9.877 -8.718 674 HA ASP 87 HA ASP 87 0.522 -9.947 -9.806 675 HB2 ASP 87 2HB ASP 87 1.586 -9.378 -7.010 676 HB3 ASP 87 1HB ASP 87 -0.120 -9.202 -7.413 677 H ARG 88 H ARG 88 2.864 -7.404 -9.043 678 HA ARG 88 HA ARG 88 0.984 -5.249 -9.096 679 HB2 ARG 88 2HB ARG 88 2.937 -3.750 -9.280 680 HB3 ARG 88 1HB ARG 88 3.144 -4.953 -8.019 681 HG2 ARG 88 2HG ARG 88 5.255 -4.955 -8.948 682 HG3 ARG 88 1HG ARG 88 4.510 -6.259 -9.863 683 HD2 ARG 88 2HD ARG 88 4.114 -4.688 -11.749 684 HD3 ARG 88 1HD ARG 88 4.871 -3.392 -10.820 685 HE ARG 88 HE ARG 88 6.785 -5.316 -10.907 686 HH11 ARG 88 1HH1 ARG 88 4.902 -3.695 -13.411 687 HH12 ARG 88 2HH1 ARG 88 6.157 -3.831 -14.604 688 HH21 ARG 88 1HH2 ARG 88 8.434 -5.424 -12.476 689 HH22 ARG 88 2HH2 ARG 88 8.147 -4.805 -14.072 690 H SER 89 H SER 89 2.662 -7.030 -11.579 691 HA SER 89 HA SER 89 1.988 -5.144 -13.710 692 HB2 SER 89 2HB SER 89 3.322 -6.750 -15.115 693 HB3 SER 89 1HB SER 89 4.220 -6.133 -13.726 694 HG SER 89 HG SER 89 3.573 -8.683 -14.344 695 H LYS 90 H LYS 90 1.167 -8.425 -12.637 696 HA LYS 90 HA LYS 90 -0.565 -9.131 -14.780 697 HB2 LYS 90 2HB LYS 90 0.395 -10.849 -13.329 698 HB3 LYS 90 1HB LYS 90 -0.395 -10.167 -11.913 699 HG2 LYS 90 2HG LYS 90 -2.591 -10.835 -12.775 700 HG3 LYS 90 1HG LYS 90 -1.857 -11.427 -14.265 701 HD2 LYS 90 2HD LYS 90 -2.357 -13.327 -12.841 702 HD3 LYS 90 1HD LYS 90 -0.608 -13.147 -12.925 703 HE2 LYS 90 2HE LYS 90 -2.209 -12.003 -10.614 704 HE3 LYS 90 1HE LYS 90 -1.659 -13.678 -10.620 705 HZ1 LYS 90 1HZ LYS 90 0.619 -12.868 -10.857 706 HZ2 LYS 90 2HZ LYS 90 -0.110 -12.326 -9.441 707 HZ3 LYS 90 3HZ LYS 90 0.073 -11.273 -10.751 708 H ILE 91 H ILE 91 -1.245 -7.917 -11.500 709 HA ILE 91 HA ILE 91 -4.088 -7.496 -12.099 710 HB ILE 91 HB ILE 91 -2.657 -7.086 -9.422 711 HG12 ILE 91 2HG1 ILE 91 -3.717 -9.704 -10.586 712 HG13 ILE 91 1HG1 ILE 91 -2.051 -9.331 -10.197 713 HG21 ILE 91 1HG2 ILE 91 -5.555 -7.811 -10.026 714 HG22 ILE 91 2HG2 ILE 91 -4.975 -6.222 -9.524 715 HG23 ILE 91 3HG2 ILE 91 -4.858 -7.590 -8.418 716 HD11 ILE 91 1HD1 ILE 91 -4.298 -9.715 -8.229 717 HD12 ILE 91 2HD1 ILE 91 -2.649 -9.245 -7.808 718 HD13 ILE 91 3HD1 ILE 91 -2.956 -10.812 -8.556 719 H ALA 92 H ALA 92 -1.885 -5.833 -13.269 720 HA ALA 92 HA ALA 92 -1.741 -3.247 -12.201 721 HB1 ALA 92 1HB ALA 92 -1.013 -2.553 -14.448 722 HB2 ALA 92 2HB ALA 92 -1.585 -4.085 -15.119 723 HB3 ALA 92 3HB ALA 92 -0.246 -4.069 -13.971 724 H LYS 93 H LYS 93 -4.353 -4.832 -13.788 725 HA LYS 93 HA LYS 93 -5.952 -2.355 -13.959 726 HB2 LYS 93 2HB LYS 93 -6.646 -5.199 -14.876 727 HB3 LYS 93 1HB LYS 93 -7.672 -3.785 -15.068 728 HG2 LYS 93 2HG LYS 93 -6.692 -4.183 -17.194 729 HG3 LYS 93 1HG LYS 93 -5.856 -2.778 -16.531 730 HD2 LYS 93 2HD LYS 93 -3.991 -4.309 -15.808 731 HD3 LYS 93 1HD LYS 93 -4.818 -5.636 -16.623 732 HE2 LYS 93 2HE LYS 93 -3.856 -3.107 -17.996 733 HE3 LYS 93 1HE LYS 93 -2.966 -4.627 -17.956 734 HZ1 LYS 93 1HZ LYS 93 -4.144 -4.462 -20.005 735 HZ2 LYS 93 2HZ LYS 93 -5.606 -4.146 -19.221 736 HZ3 LYS 93 3HZ LYS 93 -4.886 -5.667 -19.083 737 HA PRO 94 HA PRO 94 -6.771 -4.197 -9.800 738 HB2 PRO 94 2HB PRO 94 -6.889 -1.910 -8.343 739 HB3 PRO 94 1HB PRO 94 -5.351 -2.548 -8.957 740 HG2 PRO 94 2HG PRO 94 -7.010 -0.296 -10.003 741 HG3 PRO 94 1HG PRO 94 -5.246 -0.437 -9.888 742 HD2 PRO 94 2HD PRO 94 -6.733 -0.890 -12.202 743 HD3 PRO 94 1HD PRO 94 -5.085 -1.478 -11.913 744 H SER 95 H SER 95 -8.594 -4.427 -8.452 745 HA SER 95 HA SER 95 -10.971 -4.526 -9.965 746 HB2 SER 95 2HB SER 95 -10.296 -6.270 -8.360 747 HB3 SER 95 1HB SER 95 -10.522 -5.142 -7.018 748 HG SER 95 HG SER 95 -12.709 -5.352 -8.659 749 H GLU 96 H GLU 96 -10.533 -3.022 -6.738 750 HA GLU 96 HA GLU 96 -12.717 -1.104 -7.350 751 HB2 GLU 96 2HB GLU 96 -11.753 -2.086 -4.627 752 HB3 GLU 96 1HB GLU 96 -13.078 -0.964 -4.905 753 HG2 GLU 96 2HG GLU 96 -14.361 -2.753 -6.022 754 HG3 GLU 96 1HG GLU 96 -13.030 -3.879 -5.741 755 H THR 97 H THR 97 -10.701 -0.149 -8.483 756 HA THR 97 HA THR 97 -9.546 1.932 -6.796 757 HB THR 97 HB THR 97 -7.831 -0.156 -8.184 758 HG1 THR 97 HG1 THR 97 -8.532 0.363 -5.583 759 HG21 THR 97 1HG2 THR 97 -5.854 1.183 -7.531 760 HG22 THR 97 2HG2 THR 97 -6.909 2.484 -6.987 761 HG23 THR 97 3HG2 THR 97 -6.858 2.047 -8.695 762 H LEU 98 H LEU 98 -9.239 0.439 -10.045 763 HA LEU 98 HA LEU 98 -9.896 2.923 -11.381 764 HB2 LEU 98 2HB LEU 98 -7.293 2.804 -10.683 765 HB3 LEU 98 1HB LEU 98 -7.172 1.814 -12.121 766 HG LEU 98 HG LEU 98 -8.180 4.692 -12.052 767 HD11 LEU 98 1HD1 LEU 98 -5.804 4.598 -11.523 768 HD12 LEU 98 2HD1 LEU 98 -6.050 5.301 -13.117 769 HD13 LEU 98 3HD1 LEU 98 -5.483 3.635 -12.967 770 HD21 LEU 98 1HD2 LEU 98 -9.194 3.471 -13.909 771 HD22 LEU 98 2HD2 LEU 98 -7.607 2.930 -14.459 772 HD23 LEU 98 3HD2 LEU 98 -8.023 4.646 -14.507 Start of MODEL 15 1 H1 ALA 1 1H ALA 1 11.743 -21.625 11.017 2 H2 ALA 1 2H ALA 1 12.960 -21.405 12.165 3 H3 ALA 1 3H ALA 1 13.037 -22.712 11.097 4 HA ALA 1 HA ALA 1 14.577 -20.991 10.464 5 HB1 ALA 1 1HB ALA 1 13.570 -22.392 8.709 6 HB2 ALA 1 2HB ALA 1 13.839 -20.755 8.108 7 HB3 ALA 1 3HB ALA 1 12.213 -21.270 8.568 8 H GLU 2 H GLU 2 14.811 -18.843 9.474 9 HA GLU 2 HA GLU 2 13.269 -16.773 10.794 10 HB2 GLU 2 2HB GLU 2 15.587 -16.601 8.809 11 HB3 GLU 2 1HB GLU 2 14.839 -15.200 9.560 12 HG2 GLU 2 2HG GLU 2 16.879 -15.650 10.728 13 HG3 GLU 2 1HG GLU 2 15.548 -16.079 11.800 14 H GLN 3 H GLN 3 11.228 -16.679 9.963 15 HA GLN 3 HA GLN 3 10.374 -17.108 7.341 16 HB2 GLN 3 2HB GLN 3 8.803 -17.075 9.260 17 HB3 GLN 3 1HB GLN 3 9.079 -15.354 9.486 18 HG2 GLN 3 2HG GLN 3 6.937 -15.694 8.380 19 HG3 GLN 3 1HG GLN 3 8.048 -14.899 7.264 20 HE21 GLN 3 1HE2 GLN 3 6.963 -15.563 5.423 21 HE22 GLN 3 2HE2 GLN 3 6.901 -17.204 4.892 22 H SER 4 H SER 4 9.955 -15.770 5.576 23 HA SER 4 HA SER 4 11.739 -13.727 4.971 24 HB2 SER 4 2HB SER 4 10.189 -13.289 3.009 25 HB3 SER 4 1HB SER 4 10.647 -14.980 3.209 26 HG SER 4 HG SER 4 8.181 -13.777 3.993 27 H ASP 5 H ASP 5 8.442 -13.574 6.194 28 HA ASP 5 HA ASP 5 7.799 -10.891 5.861 29 HB2 ASP 5 2HB ASP 5 6.908 -12.853 8.011 30 HB3 ASP 5 1HB ASP 5 6.183 -11.261 7.766 31 H LYS 6 H LYS 6 9.795 -12.388 8.318 32 HA LYS 6 HA LYS 6 9.852 -10.358 10.270 33 HB2 LYS 6 2HB LYS 6 10.678 -12.663 10.667 34 HB3 LYS 6 1HB LYS 6 11.976 -12.420 9.506 35 HG2 LYS 6 2HG LYS 6 12.870 -12.269 11.750 36 HG3 LYS 6 1HG LYS 6 12.951 -10.676 10.986 37 HD2 LYS 6 2HD LYS 6 10.888 -9.989 12.208 38 HD3 LYS 6 1HD LYS 6 10.819 -11.578 12.982 39 HE2 LYS 6 2HE LYS 6 12.981 -11.129 14.084 40 HE3 LYS 6 1HE LYS 6 13.062 -9.555 13.289 41 HZ1 LYS 6 1HZ LYS 6 11.027 -8.936 14.453 42 HZ2 LYS 6 2HZ LYS 6 12.277 -9.328 15.525 43 HZ3 LYS 6 3HZ LYS 6 11.021 -10.429 15.251 44 H ASP 7 H ASP 7 11.864 -10.950 7.401 45 HA ASP 7 HA ASP 7 13.447 -8.528 7.686 46 HB2 ASP 7 2HB ASP 7 14.374 -10.647 6.681 47 HB3 ASP 7 1HB ASP 7 13.222 -10.501 5.356 48 H VAL 8 H VAL 8 11.226 -9.763 5.196 49 HA VAL 8 HA VAL 8 9.974 -7.169 4.736 50 HB VAL 8 HB VAL 8 11.899 -7.150 3.215 51 HG11 VAL 8 1HG1 VAL 8 10.894 -9.794 2.093 52 HG12 VAL 8 2HG1 VAL 8 12.344 -9.572 3.075 53 HG13 VAL 8 3HG1 VAL 8 12.250 -8.854 1.467 54 HG21 VAL 8 1HG2 VAL 8 9.347 -7.718 1.666 55 HG22 VAL 8 2HG2 VAL 8 10.764 -6.871 1.042 56 HG23 VAL 8 3HG2 VAL 8 9.822 -6.164 2.354 57 H LYS 9 H LYS 9 7.812 -7.437 4.407 58 HA LYS 9 HA LYS 9 6.677 -10.106 4.321 59 HB2 LYS 9 2HB LYS 9 5.363 -7.361 4.457 60 HB3 LYS 9 1HB LYS 9 4.488 -8.891 4.544 61 HG2 LYS 9 2HG LYS 9 5.671 -9.477 6.613 62 HG3 LYS 9 1HG LYS 9 6.612 -7.983 6.517 63 HD2 LYS 9 2HD LYS 9 4.512 -6.665 6.747 64 HD3 LYS 9 1HD LYS 9 3.585 -8.164 6.872 65 HE2 LYS 9 2HE LYS 9 4.821 -8.735 8.937 66 HE3 LYS 9 1HE LYS 9 5.739 -7.236 8.799 67 HZ1 LYS 9 1HZ LYS 9 3.668 -6.012 9.019 68 HZ2 LYS 9 2HZ LYS 9 3.953 -7.003 10.359 69 HZ3 LYS 9 3HZ LYS 9 2.811 -7.461 9.197 70 H TYR 10 H TYR 10 6.142 -11.140 2.507 71 HA TYR 10 HA TYR 10 6.148 -9.809 -0.092 72 HB2 TYR 10 2HB TYR 10 5.956 -12.712 0.793 73 HB3 TYR 10 1HB TYR 10 5.715 -12.243 -0.885 74 HD1 TYR 10 HD1 TYR 10 8.244 -11.553 1.846 75 HD2 TYR 10 HD2 TYR 10 7.563 -12.522 -2.270 76 HE1 TYR 10 HE1 TYR 10 10.666 -11.715 1.476 77 HE2 TYR 10 HE2 TYR 10 9.980 -12.659 -2.639 78 HH TYR 10 HH TYR 10 12.052 -11.846 -1.640 79 H TYR 11 H TYR 11 4.313 -8.577 -0.140 80 HA TYR 11 HA TYR 11 1.676 -9.614 0.448 81 HB2 TYR 11 2HB TYR 11 2.850 -6.930 -0.261 82 HB3 TYR 11 1HB TYR 11 1.147 -7.177 -0.630 83 HD1 TYR 11 HD1 TYR 11 -0.403 -6.658 0.990 84 HD2 TYR 11 HD2 TYR 11 3.561 -7.642 2.248 85 HE1 TYR 11 HE1 TYR 11 -1.018 -6.168 3.291 86 HE2 TYR 11 HE2 TYR 11 2.937 -7.145 4.573 87 HH TYR 11 HH TYR 11 -0.348 -6.665 5.521 88 H THR 12 H THR 12 0.042 -9.984 -1.000 89 HA THR 12 HA THR 12 0.652 -9.939 -3.891 90 HB THR 12 HB THR 12 -1.485 -11.193 -4.191 91 HG1 THR 12 HG1 THR 12 -2.813 -11.570 -2.602 92 HG21 THR 12 1HG2 THR 12 -0.832 -13.329 -3.197 93 HG22 THR 12 2HG2 THR 12 0.316 -12.509 -2.138 94 HG23 THR 12 3HG2 THR 12 0.566 -12.506 -3.888 95 H LEU 13 H LEU 13 -0.470 -8.544 -5.225 96 HA LEU 13 HA LEU 13 -1.750 -6.233 -4.182 97 HB2 LEU 13 2HB LEU 13 -0.496 -6.477 -6.421 98 HB3 LEU 13 1HB LEU 13 -1.947 -7.232 -7.058 99 HG LEU 13 HG LEU 13 -3.230 -5.146 -6.701 100 HD11 LEU 13 1HD1 LEU 13 -2.113 -4.338 -4.680 101 HD12 LEU 13 2HD1 LEU 13 -2.137 -3.087 -5.916 102 HD13 LEU 13 3HD1 LEU 13 -0.648 -3.984 -5.602 103 HD21 LEU 13 1HD2 LEU 13 -2.031 -5.403 -8.833 104 HD22 LEU 13 2HD2 LEU 13 -0.614 -4.603 -8.147 105 HD23 LEU 13 3HD2 LEU 13 -2.125 -3.711 -8.350 106 H GLU 14 H GLU 14 -2.792 -9.338 -5.292 107 HA GLU 14 HA GLU 14 -5.565 -9.164 -5.394 108 HB2 GLU 14 2HB GLU 14 -4.290 -11.089 -6.181 109 HB3 GLU 14 1HB GLU 14 -3.648 -11.389 -4.579 110 HG2 GLU 14 2HG GLU 14 -6.618 -11.592 -5.011 111 HG3 GLU 14 1HG GLU 14 -5.577 -12.888 -5.598 112 H GLU 15 H GLU 15 -3.424 -9.664 -2.564 113 HA GLU 15 HA GLU 15 -5.503 -9.915 -0.618 114 HB2 GLU 15 2HB GLU 15 -3.262 -10.774 -0.149 115 HB3 GLU 15 1HB GLU 15 -2.574 -9.161 -0.293 116 HG2 GLU 15 2HG GLU 15 -3.760 -8.435 1.725 117 HG3 GLU 15 1HG GLU 15 -4.562 -10.005 1.845 118 H ILE 16 H ILE 16 -3.676 -7.147 -1.917 119 HA ILE 16 HA ILE 16 -4.711 -5.241 -0.049 120 HB ILE 16 HB ILE 16 -3.537 -4.684 -2.806 121 HG12 ILE 16 2HG1 ILE 16 -2.159 -4.868 -0.077 122 HG13 ILE 16 1HG1 ILE 16 -1.938 -5.975 -1.432 123 HG21 ILE 16 1HG2 ILE 16 -3.857 -2.869 -0.374 124 HG22 ILE 16 2HG2 ILE 16 -4.787 -2.767 -1.871 125 HG23 ILE 16 3HG2 ILE 16 -3.059 -2.426 -1.888 126 HD11 ILE 16 1HD1 ILE 16 -0.071 -4.481 -1.251 127 HD12 ILE 16 2HD1 ILE 16 -1.128 -3.073 -1.335 128 HD13 ILE 16 3HD1 ILE 16 -0.953 -4.134 -2.737 129 H GLN 17 H GLN 17 -5.825 -6.504 -3.158 130 HA GLN 17 HA GLN 17 -7.829 -4.639 -3.801 131 HB2 GLN 17 2HB GLN 17 -7.702 -7.626 -4.381 132 HB3 GLN 17 1HB GLN 17 -8.969 -6.585 -5.014 133 HG2 GLN 17 2HG GLN 17 -6.010 -6.444 -5.648 134 HG3 GLN 17 1HG GLN 17 -7.308 -6.951 -6.725 135 HE21 GLN 17 1HE2 GLN 17 -5.651 -4.242 -5.313 136 HE22 GLN 17 2HE2 GLN 17 -6.448 -3.012 -6.229 137 H LYS 18 H LYS 18 -7.698 -6.985 -1.274 138 HA LYS 18 HA LYS 18 -10.503 -7.214 -0.697 139 HB2 LYS 18 2HB LYS 18 -8.081 -7.811 1.041 140 HB3 LYS 18 1HB LYS 18 -9.736 -8.301 1.398 141 HG2 LYS 18 2HG LYS 18 -9.755 -9.750 -0.575 142 HG3 LYS 18 1HG LYS 18 -8.112 -9.233 -0.991 143 HD2 LYS 18 2HD LYS 18 -7.242 -10.215 1.099 144 HD3 LYS 18 1HD LYS 18 -8.878 -10.651 1.605 145 HE2 LYS 18 2HE LYS 18 -9.058 -12.202 -0.292 146 HE3 LYS 18 1HE LYS 18 -7.439 -11.750 -0.831 147 HZ1 LYS 18 1HZ LYS 18 -8.073 -13.030 1.768 148 HZ2 LYS 18 2HZ LYS 18 -6.532 -12.660 1.179 149 HZ3 LYS 18 3HZ LYS 18 -7.472 -13.831 0.403 150 H HIS 19 H HIS 19 -9.383 -4.412 -0.797 151 HA HIS 19 HA HIS 19 -9.425 -3.397 1.881 152 HB2 HIS 19 2HB HIS 19 -9.342 -1.133 0.642 153 HB3 HIS 19 1HB HIS 19 -7.968 -2.210 0.460 154 HD1 HIS 19 HD1 HIS 19 -7.136 -2.241 -1.841 155 HD2 HIS 19 HD2 HIS 19 -11.221 -1.575 -1.780 156 HE1 HIS 19 HE1 HIS 19 -7.802 -1.948 -4.216 157 HE2 HIS 19 HE2 HIS 19 -10.256 -1.428 -4.153 158 H LYS 20 H LYS 20 -11.513 -4.407 2.337 159 HA LYS 20 HA LYS 20 -13.810 -2.689 1.613 160 HB2 LYS 20 2HB LYS 20 -13.663 -5.630 2.381 161 HB3 LYS 20 1HB LYS 20 -15.160 -4.730 2.548 162 HG2 LYS 20 2HG LYS 20 -15.288 -5.913 0.486 163 HG3 LYS 20 1HG LYS 20 -15.054 -4.212 0.088 164 HD2 LYS 20 2HD LYS 20 -12.654 -4.653 -0.377 165 HD3 LYS 20 1HD LYS 20 -12.883 -6.353 0.042 166 HE2 LYS 20 2HE LYS 20 -14.445 -6.614 -1.847 167 HE3 LYS 20 1HE LYS 20 -14.262 -4.906 -2.247 168 HZ1 LYS 20 1HZ LYS 20 -11.965 -5.282 -2.765 169 HZ2 LYS 20 2HZ LYS 20 -12.919 -6.368 -3.639 170 HZ3 LYS 20 3HZ LYS 20 -12.065 -6.900 -2.283 171 H ASP 21 H ASP 21 -11.540 -2.765 3.809 172 HA ASP 21 HA ASP 21 -13.119 -1.422 5.802 173 HB2 ASP 21 2HB ASP 21 -13.156 -3.960 6.419 174 HB3 ASP 21 1HB ASP 21 -11.442 -3.781 6.786 175 H SER 22 H SER 22 -11.654 -0.412 7.450 176 HA SER 22 HA SER 22 -9.457 0.913 6.290 177 HB2 SER 22 2HB SER 22 -10.108 0.676 9.258 178 HB3 SER 22 1HB SER 22 -9.226 1.984 8.460 179 HG SER 22 HG SER 22 -11.094 2.872 8.206 180 H LYS 23 H LYS 23 -9.692 -1.956 8.387 181 HA LYS 23 HA LYS 23 -6.999 -2.114 9.206 182 HB2 LYS 23 2HB LYS 23 -7.522 -4.519 9.766 183 HB3 LYS 23 1HB LYS 23 -8.618 -3.348 10.460 184 HG2 LYS 23 2HG LYS 23 -10.074 -5.021 9.819 185 HG3 LYS 23 1HG LYS 23 -10.172 -3.930 8.441 186 HD2 LYS 23 2HD LYS 23 -10.070 -6.201 7.620 187 HD3 LYS 23 1HD LYS 23 -8.546 -5.412 7.219 188 HE2 LYS 23 2HE LYS 23 -7.486 -6.538 9.197 189 HE3 LYS 23 1HE LYS 23 -9.020 -7.354 9.512 190 HZ1 LYS 23 1HZ LYS 23 -7.319 -7.660 7.094 191 HZ2 LYS 23 2HZ LYS 23 -8.849 -8.358 7.290 192 HZ3 LYS 23 3HZ LYS 23 -7.578 -8.812 8.311 193 H SER 24 H SER 24 -8.598 -3.076 6.281 194 HA SER 24 HA SER 24 -6.110 -4.260 5.191 195 HB2 SER 24 2HB SER 24 -8.071 -5.796 5.173 196 HB3 SER 24 1HB SER 24 -9.005 -4.605 4.265 197 HG SER 24 HG SER 24 -8.217 -5.945 2.761 198 H THR 25 H THR 25 -5.276 -2.080 4.897 199 HA THR 25 HA THR 25 -6.047 -1.009 2.276 200 HB THR 25 HB THR 25 -5.741 0.890 4.653 201 HG1 THR 25 HG1 THR 25 -7.917 -0.466 3.971 202 HG21 THR 25 1HG2 THR 25 -6.466 2.635 3.070 203 HG22 THR 25 2HG2 THR 25 -6.581 1.436 1.780 204 HG23 THR 25 3HG2 THR 25 -5.011 1.831 2.476 205 H TRP 26 H TRP 26 -4.211 -1.001 1.161 206 HA TRP 26 HA TRP 26 -1.682 -0.017 2.294 207 HB2 TRP 26 2HB TRP 26 -1.914 -2.688 0.814 208 HB3 TRP 26 1HB TRP 26 -0.412 -1.938 1.340 209 HD1 TRP 26 HD TRP 26 0.015 -1.899 4.068 210 HE1 TRP 26 HE1 TRP 26 -0.762 -3.533 5.889 211 HE3 TRP 26 HE3 TRP 26 -3.722 -4.219 1.494 212 HZ2 TRP 26 HZ2 TRP 26 -2.703 -5.565 6.187 213 HZ3 TRP 26 HZ3 TRP 26 -4.991 -6.021 2.602 214 HH2 TRP 26 HH TRP 26 -4.487 -6.677 4.907 215 H VAL 27 H VAL 27 -0.186 0.638 0.556 216 HA VAL 27 HA VAL 27 -1.365 0.732 -2.182 217 HB VAL 27 HB VAL 27 -0.367 3.014 -2.540 218 HG11 VAL 27 1HG1 VAL 27 -2.770 2.837 -2.040 219 HG12 VAL 27 2HG1 VAL 27 -2.099 4.308 -1.333 220 HG13 VAL 27 3HG1 VAL 27 -2.435 2.912 -0.307 221 HG21 VAL 27 1HG2 VAL 27 1.358 2.958 -0.777 222 HG22 VAL 27 2HG2 VAL 27 0.108 2.971 0.469 223 HG23 VAL 27 3HG2 VAL 27 0.317 4.371 -0.584 224 H ILE 28 H ILE 28 0.196 0.912 -3.890 225 HA ILE 28 HA ILE 28 2.958 0.128 -3.179 226 HB ILE 28 HB ILE 28 3.014 -1.538 -4.998 227 HG12 ILE 28 2HG1 ILE 28 0.471 -2.205 -5.856 228 HG13 ILE 28 1HG1 ILE 28 0.260 -0.472 -5.681 229 HG21 ILE 28 1HG2 ILE 28 0.687 -1.925 -3.086 230 HG22 ILE 28 2HG2 ILE 28 2.381 -2.337 -2.801 231 HG23 ILE 28 3HG2 ILE 28 1.451 -3.223 -4.006 232 HD11 ILE 28 1HD1 ILE 28 2.318 -1.816 -7.432 233 HD12 ILE 28 2HD1 ILE 28 2.038 -0.080 -7.272 234 HD13 ILE 28 3HD1 ILE 28 0.784 -1.111 -7.955 235 H LEU 29 H LEU 29 4.479 1.258 -4.246 236 HA LEU 29 HA LEU 29 3.618 3.312 -6.146 237 HB2 LEU 29 2HB LEU 29 5.723 4.305 -5.946 238 HB3 LEU 29 1HB LEU 29 5.450 3.647 -4.347 239 HG LEU 29 HG LEU 29 7.235 2.368 -6.458 240 HD11 LEU 29 1HD1 LEU 29 8.027 4.020 -4.051 241 HD12 LEU 29 2HD1 LEU 29 8.141 4.512 -5.745 242 HD13 LEU 29 3HD1 LEU 29 9.125 3.177 -5.151 243 HD21 LEU 29 1HD2 LEU 29 8.081 0.971 -4.624 244 HD22 LEU 29 2HD2 LEU 29 6.357 0.723 -4.882 245 HD23 LEU 29 3HD2 LEU 29 6.910 1.699 -3.520 246 H HIS 30 H HIS 30 4.994 0.154 -6.172 247 HA HIS 30 HA HIS 30 4.458 -0.430 -8.827 248 HB2 HIS 30 2HB HIS 30 6.419 1.062 -9.354 249 HB3 HIS 30 1HB HIS 30 7.444 0.047 -8.345 250 HD1 HIS 30 HD1 HIS 30 8.899 -1.297 -9.860 251 HD2 HIS 30 HD2 HIS 30 5.044 -0.919 -11.376 252 HE1 HIS 30 HE1 HIS 30 8.863 -2.642 -11.978 253 HE2 HIS 30 HE2 HIS 30 6.596 -2.212 -12.976 254 H HIS 31 H HIS 31 7.218 -1.175 -6.666 255 HA HIS 31 HA HIS 31 6.439 -4.039 -6.670 256 HB2 HIS 31 2HB HIS 31 8.480 -3.738 -7.948 257 HB3 HIS 31 1HB HIS 31 9.198 -2.748 -6.688 258 HD1 HIS 31 HD1 HIS 31 10.976 -4.010 -5.512 259 HD2 HIS 31 HD2 HIS 31 7.880 -6.510 -6.673 260 HE1 HIS 31 HE1 HIS 31 11.565 -6.269 -4.622 261 HE2 HIS 31 HE2 HIS 31 9.559 -7.701 -5.133 262 H LYS 32 H LYS 32 7.010 -1.306 -4.629 263 HA LYS 32 HA LYS 32 7.283 -3.069 -2.249 264 HB2 LYS 32 2HB LYS 32 7.927 -0.110 -2.548 265 HB3 LYS 32 1HB LYS 32 8.054 -1.014 -1.038 266 HG2 LYS 32 2HG LYS 32 9.639 -1.585 -3.571 267 HG3 LYS 32 1HG LYS 32 10.237 -0.711 -2.155 268 HD2 LYS 32 2HD LYS 32 9.863 -2.767 -0.765 269 HD3 LYS 32 1HD LYS 32 9.341 -3.630 -2.215 270 HE2 LYS 32 2HE LYS 32 11.557 -3.362 -3.204 271 HE3 LYS 32 1HE LYS 32 12.089 -2.407 -1.822 272 HZ1 LYS 32 1HZ LYS 32 11.745 -4.339 -0.417 273 HZ2 LYS 32 2HZ LYS 32 12.858 -4.662 -1.653 274 HZ3 LYS 32 3HZ LYS 32 11.280 -5.259 -1.760 275 H VAL 33 H VAL 33 5.778 -3.099 -0.740 276 HA VAL 33 HA VAL 33 3.308 -1.528 -1.130 277 HB VAL 33 HB VAL 33 2.967 -3.976 -1.111 278 HG11 VAL 33 1HG1 VAL 33 4.922 -4.643 0.219 279 HG12 VAL 33 2HG1 VAL 33 3.451 -5.357 0.873 280 HG13 VAL 33 3HG1 VAL 33 4.186 -3.968 1.673 281 HG21 VAL 33 1HG2 VAL 33 1.244 -4.151 0.659 282 HG22 VAL 33 2HG2 VAL 33 1.167 -2.584 -0.149 283 HG23 VAL 33 3HG2 VAL 33 1.902 -2.715 1.450 284 H TYR 34 H TYR 34 2.447 -0.353 0.524 285 HA TYR 34 HA TYR 34 4.094 0.267 2.905 286 HB2 TYR 34 2HB TYR 34 2.420 2.243 1.270 287 HB3 TYR 34 1HB TYR 34 3.450 2.624 2.649 288 HD1 TYR 34 HD1 TYR 34 3.413 1.896 -0.981 289 HD2 TYR 34 HD2 TYR 34 5.929 2.614 2.407 290 HE1 TYR 34 HE1 TYR 34 5.309 2.338 -2.468 291 HE2 TYR 34 HE2 TYR 34 7.818 3.050 0.909 292 HH TYR 34 HH TYR 34 7.428 3.549 -2.420 293 H ASP 35 H ASP 35 2.895 0.683 4.798 294 HA ASP 35 HA ASP 35 0.291 -0.569 4.906 295 HB2 ASP 35 2HB ASP 35 1.991 -1.180 6.586 296 HB3 ASP 35 1HB ASP 35 2.084 0.492 7.131 297 H LEU 36 H LEU 36 -1.110 0.776 4.051 298 HA LEU 36 HA LEU 36 -1.174 3.597 4.657 299 HB2 LEU 36 2HB LEU 36 -1.874 2.135 2.412 300 HB3 LEU 36 1HB LEU 36 -3.444 2.409 3.127 301 HG LEU 36 HG LEU 36 -2.926 4.114 1.425 302 HD11 LEU 36 1HD1 LEU 36 -2.917 5.374 4.169 303 HD12 LEU 36 2HD1 LEU 36 -4.344 4.759 3.335 304 HD13 LEU 36 3HD1 LEU 36 -3.446 6.113 2.654 305 HD21 LEU 36 1HD2 LEU 36 -0.618 4.970 3.194 306 HD22 LEU 36 2HD2 LEU 36 -1.111 5.695 1.660 307 HD23 LEU 36 3HD2 LEU 36 -0.459 4.062 1.693 308 H THR 37 H THR 37 -2.604 0.707 5.892 309 HA THR 37 HA THR 37 -4.948 1.525 7.110 310 HB THR 37 HB THR 37 -2.825 -0.391 8.170 311 HG1 THR 37 HG1 THR 37 -5.185 -0.810 6.616 312 HG21 THR 37 1HG2 THR 37 -4.682 -1.468 9.420 313 HG22 THR 37 2HG2 THR 37 -5.757 -0.153 8.939 314 HG23 THR 37 3HG2 THR 37 -4.377 0.174 9.987 315 H LYS 38 H LYS 38 -1.600 2.098 8.204 316 HA LYS 38 HA LYS 38 -2.369 3.585 10.585 317 HB2 LYS 38 2HB LYS 38 -0.142 2.202 10.041 318 HB3 LYS 38 1HB LYS 38 0.408 3.726 9.372 319 HG2 LYS 38 2HG LYS 38 -0.532 3.347 12.238 320 HG3 LYS 38 1HG LYS 38 1.144 3.207 11.725 321 HD2 LYS 38 2HD LYS 38 1.243 5.399 12.390 322 HD3 LYS 38 1HD LYS 38 0.618 5.708 10.775 323 HE2 LYS 38 2HE LYS 38 -0.644 7.032 12.356 324 HE3 LYS 38 1HE LYS 38 -1.699 5.756 11.756 325 HZ1 LYS 38 1HZ LYS 38 -1.958 5.975 14.105 326 HZ2 LYS 38 2HZ LYS 38 -0.297 5.798 14.370 327 HZ3 LYS 38 3HZ LYS 38 -1.205 4.494 13.789 328 H PHE 39 H PHE 39 -1.206 4.293 7.309 329 HA PHE 39 HA PHE 39 -0.662 7.045 7.641 330 HB2 PHE 39 2HB PHE 39 0.236 5.472 5.862 331 HB3 PHE 39 1HB PHE 39 -1.318 5.584 5.058 332 HD1 PHE 39 HD1 PHE 39 1.707 7.521 6.025 333 HD2 PHE 39 HD2 PHE 39 -1.803 7.456 3.588 334 HE1 PHE 39 HE1 PHE 39 2.578 9.394 4.715 335 HE2 PHE 39 HE2 PHE 39 -0.915 9.332 2.289 336 HZ PHE 39 HZ PHE 39 1.280 10.291 2.842 337 H LEU 40 H LEU 40 -3.695 5.382 6.982 338 HA LEU 40 HA LEU 40 -5.126 7.693 6.043 339 HB2 LEU 40 2HB LEU 40 -7.134 6.299 6.105 340 HB3 LEU 40 1HB LEU 40 -5.816 5.516 5.269 341 HG LEU 40 HG LEU 40 -5.495 4.223 7.589 342 HD11 LEU 40 1HD1 LEU 40 -7.160 5.457 8.881 343 HD12 LEU 40 2HD1 LEU 40 -7.589 3.754 8.765 344 HD13 LEU 40 3HD1 LEU 40 -8.430 4.946 7.768 345 HD21 LEU 40 1HD2 LEU 40 -6.023 3.124 5.478 346 HD22 LEU 40 2HD2 LEU 40 -7.728 3.543 5.655 347 HD23 LEU 40 3HD2 LEU 40 -6.968 2.423 6.791 348 H GLU 41 H GLU 41 -4.762 6.042 9.165 349 HA GLU 41 HA GLU 41 -6.627 7.860 10.500 350 HB2 GLU 41 2HB GLU 41 -6.096 6.593 12.559 351 HB3 GLU 41 1HB GLU 41 -6.612 5.534 11.252 352 HG2 GLU 41 2HG GLU 41 -4.363 4.776 10.861 353 HG3 GLU 41 1HG GLU 41 -3.696 5.999 11.940 354 H GLU 42 H GLU 42 -3.498 8.137 9.457 355 HA GLU 42 HA GLU 42 -2.302 9.452 11.718 356 HB2 GLU 42 2HB GLU 42 -1.030 8.175 9.913 357 HB3 GLU 42 1HB GLU 42 -1.396 9.497 8.810 358 HG2 GLU 42 2HG GLU 42 0.873 9.708 9.689 359 HG3 GLU 42 1HG GLU 42 -0.127 11.064 10.208 360 H TRP 43 H TRP 43 -3.079 10.773 8.432 361 HA TRP 43 HA TRP 43 -3.940 13.297 9.750 362 HB2 TRP 43 2HB TRP 43 -2.462 12.942 7.133 363 HB3 TRP 43 1HB TRP 43 -3.383 14.403 7.452 364 HD1 TRP 43 HD TRP 43 -0.964 12.585 9.925 365 HE1 TRP 43 HE1 TRP 43 0.842 14.270 10.616 366 HE3 TRP 43 HE3 TRP 43 -2.325 16.508 6.944 367 HZ2 TRP 43 HZ2 TRP 43 1.607 16.894 9.997 368 HZ3 TRP 43 HZ3 TRP 43 -0.990 18.576 7.048 369 HH2 TRP 43 HH TRP 43 0.937 18.762 8.544 370 HA PRO 44 HA PRO 44 -6.923 12.769 5.734 371 HB2 PRO 44 2HB PRO 44 -6.950 9.737 5.798 372 HB3 PRO 44 1HB PRO 44 -7.203 10.836 4.419 373 HG2 PRO 44 2HG PRO 44 -4.867 9.652 4.677 374 HG3 PRO 44 1HG PRO 44 -4.922 11.385 4.265 375 HD2 PRO 44 2HD PRO 44 -4.295 10.098 6.916 376 HD3 PRO 44 1HD PRO 44 -3.554 11.516 6.144 377 H GLY 45 H GLY 45 -7.009 10.408 8.392 378 HA2 GLY 45 2HA GLY 45 -8.475 10.201 10.146 379 HA3 GLY 45 1HA GLY 45 -9.369 11.578 9.532 380 H GLY 46 H GLY 46 -9.377 9.728 6.898 381 HA2 GLY 46 2HA GLY 46 -11.514 7.839 7.619 382 HA3 GLY 46 1HA GLY 46 -11.863 9.105 6.440 383 H GLU 47 H GLU 47 -11.525 6.082 6.317 384 HA GLU 47 HA GLU 47 -9.131 5.575 4.835 385 HB2 GLU 47 2HB GLU 47 -9.819 3.276 4.710 386 HB3 GLU 47 1HB GLU 47 -10.208 3.846 6.323 387 HG2 GLU 47 2HG GLU 47 -12.218 3.524 4.060 388 HG3 GLU 47 1HG GLU 47 -11.922 2.325 5.314 389 H GLU 48 H GLU 48 -12.490 6.256 3.967 390 HA GLU 48 HA GLU 48 -12.844 4.848 1.647 391 HB2 GLU 48 2HB GLU 48 -14.626 6.525 1.089 392 HB3 GLU 48 1HB GLU 48 -14.690 5.917 2.741 393 HG2 GLU 48 2HG GLU 48 -13.742 7.984 3.602 394 HG3 GLU 48 1HG GLU 48 -13.473 8.592 1.970 395 H VAL 49 H VAL 49 -11.350 8.090 1.864 396 HA VAL 49 HA VAL 49 -11.404 8.766 -0.868 397 HB VAL 49 HB VAL 49 -11.025 10.471 0.832 398 HG11 VAL 49 1HG1 VAL 49 -8.928 10.695 2.114 399 HG12 VAL 49 2HG1 VAL 49 -8.322 9.197 1.404 400 HG13 VAL 49 3HG1 VAL 49 -9.726 9.160 2.471 401 HG21 VAL 49 1HG2 VAL 49 -8.587 10.294 -0.985 402 HG22 VAL 49 2HG2 VAL 49 -9.184 11.751 -0.189 403 HG23 VAL 49 3HG2 VAL 49 -10.162 10.966 -1.429 404 H LEU 50 H LEU 50 -9.141 6.833 0.951 405 HA LEU 50 HA LEU 50 -7.303 6.565 -1.358 406 HB2 LEU 50 2HB LEU 50 -5.640 5.879 0.510 407 HB3 LEU 50 1HB LEU 50 -6.073 7.561 0.351 408 HG LEU 50 HG LEU 50 -7.829 7.066 2.241 409 HD11 LEU 50 1HD1 LEU 50 -5.930 4.763 2.732 410 HD12 LEU 50 2HD1 LEU 50 -7.626 4.647 2.261 411 HD13 LEU 50 3HD1 LEU 50 -7.198 5.325 3.825 412 HD21 LEU 50 1HD2 LEU 50 -6.192 7.605 3.989 413 HD22 LEU 50 2HD2 LEU 50 -5.950 8.586 2.547 414 HD23 LEU 50 3HD2 LEU 50 -4.871 7.230 2.881 415 H ARG 51 H ARG 51 -9.554 4.851 0.535 416 HA ARG 51 HA ARG 51 -8.244 2.284 0.541 417 HB2 ARG 51 2HB ARG 51 -9.964 3.121 2.268 418 HB3 ARG 51 1HB ARG 51 -11.196 2.785 1.060 419 HG2 ARG 51 2HG ARG 51 -10.118 0.379 1.028 420 HG3 ARG 51 1HG ARG 51 -9.430 0.863 2.576 421 HD2 ARG 51 2HD ARG 51 -11.432 -0.309 3.070 422 HD3 ARG 51 1HD ARG 51 -11.802 1.402 3.306 423 HE ARG 51 HE ARG 51 -12.439 0.718 0.663 424 HH11 ARG 51 1HH1 ARG 51 -13.650 0.076 3.904 425 HH12 ARG 51 2HH1 ARG 51 -15.271 -0.204 3.360 426 HH21 ARG 51 1HH2 ARG 51 -14.540 0.283 -0.028 427 HH22 ARG 51 2HH2 ARG 51 -15.774 -0.085 1.135 428 H GLU 52 H GLU 52 -10.771 3.925 -1.331 429 HA GLU 52 HA GLU 52 -11.724 1.826 -2.906 430 HB2 GLU 52 2HB GLU 52 -12.385 3.591 -4.547 431 HB3 GLU 52 1HB GLU 52 -12.825 4.002 -2.893 432 HG2 GLU 52 2HG GLU 52 -11.131 5.669 -2.722 433 HG3 GLU 52 1HG GLU 52 -10.273 5.054 -4.133 434 H GLN 53 H GLN 53 -8.805 3.687 -3.121 435 HA GLN 53 HA GLN 53 -7.891 2.246 -5.544 436 HB2 GLN 53 2HB GLN 53 -6.530 4.348 -6.029 437 HB3 GLN 53 1HB GLN 53 -8.268 4.473 -6.274 438 HG2 GLN 53 2HG GLN 53 -8.546 5.714 -4.213 439 HG3 GLN 53 1HG GLN 53 -6.856 5.465 -3.776 440 HE21 GLN 53 1HE2 GLN 53 -5.726 6.021 -6.357 441 HE22 GLN 53 2HE2 GLN 53 -5.902 7.715 -6.624 442 H ALA 54 H ALA 54 -7.621 1.425 -2.835 443 HA ALA 54 HA ALA 54 -4.892 1.844 -1.990 444 HB1 ALA 54 1HB ALA 54 -5.362 0.065 -0.331 445 HB2 ALA 54 2HB ALA 54 -6.909 -0.261 -1.117 446 HB3 ALA 54 3HB ALA 54 -6.632 1.294 -0.336 447 H GLY 55 H GLY 55 -3.152 0.771 -2.748 448 HA2 GLY 55 2HA GLY 55 -1.900 -0.942 -3.737 449 HA3 GLY 55 1HA GLY 55 -3.377 -1.769 -4.192 450 H GLY 56 H GLY 56 -3.878 1.369 -5.040 451 HA2 GLY 56 2HA GLY 56 -3.622 0.936 -7.853 452 HA3 GLY 56 1HA GLY 56 -4.096 2.430 -7.053 453 H ASP 57 H ASP 57 -2.150 3.430 -5.731 454 HA ASP 57 HA ASP 57 0.454 3.141 -6.920 455 HB2 ASP 57 2HB ASP 57 -0.670 4.476 -8.690 456 HB3 ASP 57 1HB ASP 57 -1.130 5.691 -7.500 457 H ALA 58 H ALA 58 2.050 4.507 -5.945 458 HA ALA 58 HA ALA 58 1.386 6.089 -3.575 459 HB1 ALA 58 1HB ALA 58 3.003 4.911 -2.161 460 HB2 ALA 58 2HB ALA 58 3.363 3.790 -3.478 461 HB3 ALA 58 3HB ALA 58 1.768 3.787 -2.734 462 H THR 59 H THR 59 3.005 5.806 -6.439 463 HA THR 59 HA THR 59 5.557 6.961 -5.813 464 HB THR 59 HB THR 59 4.174 6.955 -8.534 465 HG1 THR 59 HG1 THR 59 4.258 4.857 -8.221 466 HG21 THR 59 1HG2 THR 59 7.132 7.005 -7.812 467 HG22 THR 59 2HG2 THR 59 6.204 8.379 -8.413 468 HG23 THR 59 3HG2 THR 59 6.470 6.976 -9.448 469 H GLU 60 H GLU 60 2.559 8.134 -7.242 470 HA GLU 60 HA GLU 60 3.237 10.954 -6.652 471 HB2 GLU 60 2HB GLU 60 3.053 10.396 -9.070 472 HB3 GLU 60 1HB GLU 60 1.423 9.789 -8.805 473 HG2 GLU 60 2HG GLU 60 0.650 12.038 -8.212 474 HG3 GLU 60 1HG GLU 60 2.293 12.666 -8.370 475 H ASN 61 H ASN 61 0.967 8.327 -6.265 476 HA ASN 61 HA ASN 61 -1.359 9.963 -5.767 477 HB2 ASN 61 2HB ASN 61 -1.321 7.646 -6.858 478 HB3 ASN 61 1HB ASN 61 -1.109 6.981 -5.247 479 HD21 ASN 61 1HD2 ASN 61 -2.894 6.973 -3.817 480 HD22 ASN 61 2HD2 ASN 61 -4.492 7.363 -4.353 481 H PHE 62 H PHE 62 1.109 8.575 -3.783 482 HA PHE 62 HA PHE 62 0.018 8.178 -1.280 483 HB2 PHE 62 2HB PHE 62 2.259 8.552 -0.385 484 HB3 PHE 62 1HB PHE 62 2.444 7.794 -1.964 485 HD1 PHE 62 HD1 PHE 62 3.403 10.593 0.065 486 HD2 PHE 62 HD2 PHE 62 2.891 9.395 -3.994 487 HE1 PHE 62 HE1 PHE 62 4.748 12.494 -0.675 488 HE2 PHE 62 HE2 PHE 62 4.257 11.294 -4.719 489 HZ PHE 62 HZ PHE 62 5.179 12.857 -3.066 490 H GLU 63 H GLU 63 0.826 11.193 -2.853 491 HA GLU 63 HA GLU 63 0.431 12.911 -0.574 492 HB2 GLU 63 2HB GLU 63 2.105 13.503 -2.236 493 HB3 GLU 63 1HB GLU 63 0.920 13.426 -3.536 494 HG2 GLU 63 2HG GLU 63 -0.265 15.385 -2.481 495 HG3 GLU 63 1HG GLU 63 1.051 15.491 -1.312 496 H ASP 64 H ASP 64 -1.197 12.282 -3.683 497 HA ASP 64 HA ASP 64 -3.220 14.114 -3.721 498 HB2 ASP 64 2HB ASP 64 -2.709 12.491 -5.572 499 HB3 ASP 64 1HB ASP 64 -3.456 11.205 -4.635 500 H VAL 65 H VAL 65 -3.350 10.907 -2.263 501 HA VAL 65 HA VAL 65 -6.005 11.374 -1.086 502 HB VAL 65 HB VAL 65 -5.998 8.966 -0.616 503 HG11 VAL 65 1HG1 VAL 65 -5.175 9.600 -3.470 504 HG12 VAL 65 2HG1 VAL 65 -6.806 9.709 -2.800 505 HG13 VAL 65 3HG1 VAL 65 -6.017 8.137 -2.946 506 HG21 VAL 65 1HG2 VAL 65 -3.196 8.887 -1.831 507 HG22 VAL 65 2HG2 VAL 65 -4.156 7.477 -1.387 508 HG23 VAL 65 3HG2 VAL 65 -3.595 8.588 -0.138 509 H GLY 66 H GLY 66 -2.664 11.330 -0.180 510 HA2 GLY 66 2HA GLY 66 -3.264 11.034 2.703 511 HA3 GLY 66 1HA GLY 66 -1.681 10.934 1.945 512 H PHE 67 H PHE 67 -0.403 12.625 2.370 513 HA PHE 67 HA PHE 67 -1.572 15.095 3.494 514 HB2 PHE 67 2HB PHE 67 1.393 14.370 3.559 515 HB3 PHE 67 1HB PHE 67 0.520 15.468 4.607 516 HD1 PHE 67 HD1 PHE 67 -1.350 12.384 4.484 517 HD2 PHE 67 HD2 PHE 67 2.164 14.151 6.176 518 HE1 PHE 67 HE1 PHE 67 -1.277 10.631 6.176 519 HE2 PHE 67 HE2 PHE 67 2.200 12.393 7.862 520 HZ PHE 67 HZ PHE 67 0.497 10.630 7.865 521 H SER 68 H SER 68 0.555 16.872 3.000 522 HA SER 68 HA SER 68 0.547 17.368 0.149 523 HB2 SER 68 2HB SER 68 2.114 19.263 0.833 524 HB3 SER 68 1HB SER 68 0.539 19.276 1.630 525 HG SER 68 HG SER 68 3.035 18.485 2.693 526 H THR 69 H THR 69 3.395 18.227 -0.091 527 HA THR 69 HA THR 69 4.558 15.857 -1.065 528 HB THR 69 HB THR 69 6.088 18.408 -0.367 529 HG1 THR 69 HG1 THR 69 4.372 17.799 -2.556 530 HG21 THR 69 1HG2 THR 69 7.435 17.815 -2.360 531 HG22 THR 69 2HG2 THR 69 6.478 16.350 -2.578 532 HG23 THR 69 3HG2 THR 69 7.505 16.529 -1.153 533 H ASP 70 H ASP 70 4.509 17.162 2.137 534 HA ASP 70 HA ASP 70 6.706 16.017 3.409 535 HB2 ASP 70 2HB ASP 70 3.875 16.445 4.466 536 HB3 ASP 70 1HB ASP 70 5.253 16.033 5.487 537 H ALA 71 H ALA 71 3.745 14.554 2.301 538 HA ALA 71 HA ALA 71 3.583 12.203 3.782 539 HB1 ALA 71 1HB ALA 71 1.756 13.042 2.358 540 HB2 ALA 71 2HB ALA 71 2.141 11.369 1.966 541 HB3 ALA 71 3HB ALA 71 2.704 12.671 0.918 542 H ARG 72 H ARG 72 5.908 13.027 1.335 543 HA ARG 72 HA ARG 72 6.655 10.579 0.249 544 HB2 ARG 72 2HB ARG 72 8.376 12.982 0.985 545 HB3 ARG 72 1HB ARG 72 9.014 11.585 0.118 546 HG2 ARG 72 2HG ARG 72 7.346 12.011 -1.693 547 HG3 ARG 72 1HG ARG 72 6.842 13.472 -0.844 548 HD2 ARG 72 2HD ARG 72 8.389 14.046 -2.630 549 HD3 ARG 72 1HD ARG 72 9.141 14.371 -1.067 550 HE ARG 72 HE ARG 72 10.438 12.325 -1.337 551 HH11 ARG 72 1HH1 ARG 72 8.941 13.552 -4.274 552 HH12 ARG 72 2HH1 ARG 72 10.058 12.744 -5.322 553 HH21 ARG 72 1HH2 ARG 72 11.912 11.288 -2.732 554 HH22 ARG 72 2HH2 ARG 72 11.743 11.461 -4.447 555 H GLU 73 H GLU 73 8.115 12.142 3.131 556 HA GLU 73 HA GLU 73 9.779 9.959 3.824 557 HB2 GLU 73 2HB GLU 73 8.814 12.273 5.557 558 HB3 GLU 73 1HB GLU 73 10.150 11.189 5.953 559 HG2 GLU 73 2HG GLU 73 11.350 11.982 3.914 560 HG3 GLU 73 1HG GLU 73 10.045 13.132 3.615 561 H LEU 74 H LEU 74 6.497 10.817 4.708 562 HA LEU 74 HA LEU 74 6.280 9.070 6.965 563 HB2 LEU 74 2HB LEU 74 4.285 10.681 5.368 564 HB3 LEU 74 1HB LEU 74 3.721 9.530 6.565 565 HG LEU 74 HG LEU 74 3.744 11.742 7.552 566 HD11 LEU 74 1HD1 LEU 74 5.136 11.374 9.521 567 HD12 LEU 74 2HD1 LEU 74 5.993 10.077 8.685 568 HD13 LEU 74 3HD1 LEU 74 4.270 9.916 9.041 569 HD21 LEU 74 1HD2 LEU 74 5.388 12.842 6.122 570 HD22 LEU 74 2HD2 LEU 74 6.692 11.929 6.881 571 HD23 LEU 74 3HD2 LEU 74 5.764 13.099 7.825 572 H SER 75 H SER 75 5.229 8.789 3.551 573 HA SER 75 HA SER 75 4.094 6.189 3.817 574 HB2 SER 75 2HB SER 75 4.215 6.080 1.336 575 HB3 SER 75 1HB SER 75 3.538 7.614 1.884 576 HG SER 75 HG SER 75 5.337 8.647 1.281 577 H LYS 76 H LYS 76 7.308 7.392 2.994 578 HA LYS 76 HA LYS 76 8.613 5.041 2.251 579 HB2 LYS 76 2HB LYS 76 9.612 7.636 3.445 580 HB3 LYS 76 1HB LYS 76 10.740 6.332 3.111 581 HG2 LYS 76 2HG LYS 76 8.928 7.564 1.010 582 HG3 LYS 76 1HG LYS 76 10.575 8.113 1.326 583 HD2 LYS 76 2HD LYS 76 9.833 5.273 0.471 584 HD3 LYS 76 1HD LYS 76 10.401 6.538 -0.623 585 HE2 LYS 76 2HE LYS 76 12.555 6.632 0.512 586 HE3 LYS 76 1HE LYS 76 12.001 5.505 1.752 587 HZ1 LYS 76 1HZ LYS 76 12.346 4.894 -1.126 588 HZ2 LYS 76 2HZ LYS 76 11.784 3.815 0.050 589 HZ3 LYS 76 3HZ LYS 76 13.367 4.406 0.135 590 H LYS 77 H LYS 77 8.176 6.422 5.519 591 HA LYS 77 HA LYS 77 9.799 4.378 6.777 592 HB2 LYS 77 2HB LYS 77 9.189 5.401 8.901 593 HB3 LYS 77 1HB LYS 77 9.635 6.652 7.750 594 HG2 LYS 77 2HG LYS 77 7.260 7.174 7.384 595 HG3 LYS 77 1HG LYS 77 6.797 5.907 8.515 596 HD2 LYS 77 2HD LYS 77 8.466 8.338 9.259 597 HD3 LYS 77 1HD LYS 77 6.715 8.250 9.438 598 HE2 LYS 77 2HE LYS 77 7.604 7.778 11.597 599 HE3 LYS 77 1HE LYS 77 7.098 6.221 10.952 600 HZ1 LYS 77 1HZ LYS 77 9.890 7.229 10.891 601 HZ2 LYS 77 2HZ LYS 77 9.364 5.672 10.476 602 HZ3 LYS 77 3HZ LYS 77 9.273 6.200 12.081 603 H TYR 78 H TYR 78 6.487 4.593 5.779 604 HA TYR 78 HA TYR 78 5.595 2.424 7.535 605 HB2 TYR 78 2HB TYR 78 4.073 4.025 5.440 606 HB3 TYR 78 1HB TYR 78 3.357 2.759 6.436 607 HD1 TYR 78 HD1 TYR 78 5.263 3.899 8.900 608 HD2 TYR 78 HD2 TYR 78 2.216 5.493 6.355 609 HE1 TYR 78 HE1 TYR 78 4.733 5.587 10.586 610 HE2 TYR 78 HE2 TYR 78 1.686 7.180 8.050 611 HH TYR 78 HH TYR 78 1.952 7.579 10.419 612 H ILE 79 H ILE 79 7.614 2.135 5.180 613 HA ILE 79 HA ILE 79 6.400 0.419 3.274 614 HB ILE 79 HB ILE 79 8.540 1.477 2.753 615 HG12 ILE 79 2HG1 ILE 79 8.801 -1.570 2.787 616 HG13 ILE 79 1HG1 ILE 79 7.966 -0.620 1.562 617 HG21 ILE 79 1HG2 ILE 79 9.834 -0.274 4.870 618 HG22 ILE 79 2HG2 ILE 79 9.595 1.471 4.970 619 HG23 ILE 79 3HG2 ILE 79 10.681 0.800 3.754 620 HD11 ILE 79 1HD1 ILE 79 10.124 -1.347 0.766 621 HD12 ILE 79 2HD1 ILE 79 10.931 -0.570 2.126 622 HD13 ILE 79 3HD1 ILE 79 10.098 0.409 0.916 623 H ILE 80 H ILE 80 5.331 -1.333 3.888 624 HA ILE 80 HA ILE 80 5.957 -2.677 6.401 625 HB ILE 80 HB ILE 80 3.628 -1.964 5.894 626 HG12 ILE 80 2HG1 ILE 80 3.842 -4.998 6.170 627 HG13 ILE 80 1HG1 ILE 80 4.087 -3.851 7.483 628 HG21 ILE 80 1HG2 ILE 80 2.218 -3.159 4.279 629 HG22 ILE 80 2HG2 ILE 80 3.611 -4.092 3.727 630 HG23 ILE 80 3HG2 ILE 80 3.560 -2.345 3.473 631 HD11 ILE 80 1HD1 ILE 80 1.881 -4.845 7.579 632 HD12 ILE 80 2HD1 ILE 80 1.517 -4.256 5.958 633 HD13 ILE 80 3HD1 ILE 80 1.769 -3.112 7.279 634 H GLY 81 H GLY 81 6.260 -3.213 3.004 635 HA2 GLY 81 2HA GLY 81 8.085 -5.355 3.233 636 HA3 GLY 81 1HA GLY 81 6.492 -6.009 2.855 637 H GLU 82 H GLU 82 7.419 -6.759 0.893 638 HA GLU 82 HA GLU 82 7.430 -4.683 -1.222 639 HB2 GLU 82 2HB GLU 82 8.612 -6.259 -2.663 640 HB3 GLU 82 1HB GLU 82 9.531 -6.017 -1.182 641 HG2 GLU 82 2HG GLU 82 9.040 -8.183 -0.362 642 HG3 GLU 82 1HG GLU 82 7.677 -8.392 -1.461 643 H LEU 83 H LEU 83 5.839 -4.845 -2.744 644 HA LEU 83 HA LEU 83 3.824 -6.888 -2.693 645 HB2 LEU 83 2HB LEU 83 3.711 -4.369 -3.535 646 HB3 LEU 83 1HB LEU 83 4.322 -5.019 -5.047 647 HG LEU 83 HG LEU 83 1.841 -4.685 -4.999 648 HD11 LEU 83 1HD1 LEU 83 2.771 -6.340 -6.544 649 HD12 LEU 83 2HD1 LEU 83 1.149 -6.758 -6.001 650 HD13 LEU 83 3HD1 LEU 83 2.547 -7.599 -5.328 651 HD21 LEU 83 1HD2 LEU 83 1.452 -5.187 -2.640 652 HD22 LEU 83 2HD2 LEU 83 1.810 -6.895 -2.925 653 HD23 LEU 83 3HD2 LEU 83 0.404 -6.144 -3.683 654 H HIS 84 H HIS 84 3.629 -8.622 -4.218 655 HA HIS 84 HA HIS 84 5.987 -9.883 -5.122 656 HB2 HIS 84 2HB HIS 84 3.070 -10.358 -5.866 657 HB3 HIS 84 1HB HIS 84 4.383 -11.357 -6.483 658 HD1 HIS 84 HD1 HIS 84 2.351 -12.827 -5.012 659 HD2 HIS 84 HD2 HIS 84 5.529 -11.010 -3.060 660 HE1 HIS 84 HE1 HIS 84 2.611 -14.065 -2.849 661 HE2 HIS 84 HE2 HIS 84 4.637 -13.049 -1.763 662 HA PRO 85 HA PRO 85 6.801 -7.697 -9.109 663 HB2 PRO 85 2HB PRO 85 8.026 -10.422 -9.614 664 HB3 PRO 85 1HB PRO 85 8.702 -8.806 -9.917 665 HG2 PRO 85 2HG PRO 85 9.538 -10.230 -7.824 666 HG3 PRO 85 1HG PRO 85 9.309 -8.471 -7.701 667 HD2 PRO 85 2HD PRO 85 7.596 -10.667 -6.603 668 HD3 PRO 85 1HD PRO 85 7.918 -9.048 -5.945 669 H ASP 86 H ASP 86 5.402 -10.868 -8.632 670 HA ASP 86 HA ASP 86 4.372 -11.372 -11.241 671 HB2 ASP 86 2HB ASP 86 4.775 -13.212 -9.652 672 HB3 ASP 86 1HB ASP 86 3.657 -12.504 -8.495 673 H ASP 87 H ASP 87 2.934 -10.188 -8.203 674 HA ASP 87 HA ASP 87 0.250 -10.183 -9.229 675 HB2 ASP 87 2HB ASP 87 1.521 -9.422 -6.601 676 HB3 ASP 87 1HB ASP 87 -0.145 -8.951 -6.906 677 H ARG 88 H ARG 88 2.717 -7.704 -8.812 678 HA ARG 88 HA ARG 88 0.897 -5.490 -9.089 679 HB2 ARG 88 2HB ARG 88 2.923 -4.070 -9.212 680 HB3 ARG 88 1HB ARG 88 2.926 -5.154 -7.841 681 HG2 ARG 88 2HG ARG 88 5.141 -5.257 -8.536 682 HG3 ARG 88 1HG ARG 88 4.453 -6.683 -9.316 683 HD2 ARG 88 2HD ARG 88 4.226 -5.362 -11.427 684 HD3 ARG 88 1HD ARG 88 4.998 -3.991 -10.623 685 HE ARG 88 HE ARG 88 6.735 -6.094 -10.313 686 HH11 ARG 88 1HH1 ARG 88 5.318 -4.437 -13.078 687 HH12 ARG 88 2HH1 ARG 88 6.677 -4.751 -14.107 688 HH21 ARG 88 1HH2 ARG 88 8.528 -6.424 -11.667 689 HH22 ARG 88 2HH2 ARG 88 8.488 -5.872 -13.307 690 H SER 89 H SER 89 2.663 -7.499 -11.314 691 HA SER 89 HA SER 89 2.197 -5.765 -13.622 692 HB2 SER 89 2HB SER 89 3.427 -7.552 -14.860 693 HB3 SER 89 1HB SER 89 4.339 -6.971 -13.465 694 HG SER 89 HG SER 89 3.450 -9.459 -14.009 695 H LYS 90 H LYS 90 0.959 -8.661 -12.116 696 HA LYS 90 HA LYS 90 -0.684 -9.661 -14.230 697 HB2 LYS 90 2HB LYS 90 0.214 -11.033 -12.369 698 HB3 LYS 90 1HB LYS 90 -0.724 -10.102 -11.214 699 HG2 LYS 90 2HG LYS 90 -2.808 -11.021 -12.144 700 HG3 LYS 90 1HG LYS 90 -1.881 -11.924 -13.350 701 HD2 LYS 90 2HD LYS 90 -2.510 -13.389 -11.466 702 HD3 LYS 90 1HD LYS 90 -0.758 -13.203 -11.551 703 HE2 LYS 90 2HE LYS 90 -0.970 -11.408 -9.753 704 HE3 LYS 90 1HE LYS 90 -2.665 -11.862 -9.600 705 HZ1 LYS 90 1HZ LYS 90 -1.342 -12.923 -7.931 706 HZ2 LYS 90 2HZ LYS 90 -0.315 -13.595 -9.096 707 HZ3 LYS 90 3HZ LYS 90 -1.926 -14.101 -8.997 708 H ILE 91 H ILE 91 -1.484 -8.092 -11.118 709 HA ILE 91 HA ILE 91 -4.167 -7.349 -12.039 710 HB ILE 91 HB ILE 91 -3.091 -6.933 -9.219 711 HG12 ILE 91 2HG1 ILE 91 -4.176 -9.557 -10.349 712 HG13 ILE 91 1HG1 ILE 91 -2.525 -9.260 -9.836 713 HG21 ILE 91 1HG2 ILE 91 -5.450 -7.278 -8.550 714 HG22 ILE 91 2HG2 ILE 91 -5.895 -7.549 -10.237 715 HG23 ILE 91 3HG2 ILE 91 -5.305 -5.969 -9.724 716 HD11 ILE 91 1HD1 ILE 91 -4.953 -9.320 -8.062 717 HD12 ILE 91 2HD1 ILE 91 -3.305 -8.953 -7.538 718 HD13 ILE 91 3HD1 ILE 91 -3.690 -10.543 -8.194 719 H ALA 92 H ALA 92 -1.641 -6.005 -12.943 720 HA ALA 92 HA ALA 92 -1.424 -3.360 -12.030 721 HB1 ALA 92 1HB ALA 92 -0.485 -2.843 -14.259 722 HB2 ALA 92 2HB ALA 92 -1.085 -4.381 -14.880 723 HB3 ALA 92 3HB ALA 92 0.167 -4.361 -13.638 724 H LYS 93 H LYS 93 -3.722 -4.916 -14.135 725 HA LYS 93 HA LYS 93 -5.457 -2.532 -14.297 726 HB2 LYS 93 2HB LYS 93 -5.752 -5.237 -15.695 727 HB3 LYS 93 1HB LYS 93 -6.772 -3.830 -15.938 728 HG2 LYS 93 2HG LYS 93 -5.355 -3.963 -17.839 729 HG3 LYS 93 1HG LYS 93 -4.742 -2.627 -16.871 730 HD2 LYS 93 2HD LYS 93 -2.929 -4.023 -17.829 731 HD3 LYS 93 1HD LYS 93 -2.885 -4.006 -16.067 732 HE2 LYS 93 2HE LYS 93 -2.450 -6.259 -16.929 733 HE3 LYS 93 1HE LYS 93 -3.967 -6.239 -16.028 734 HZ1 LYS 93 1HZ LYS 93 -5.171 -6.151 -18.112 735 HZ2 LYS 93 2HZ LYS 93 -4.131 -7.483 -18.107 736 HZ3 LYS 93 3HZ LYS 93 -3.724 -6.101 -18.990 737 HA PRO 94 HA PRO 94 -6.866 -5.063 -10.703 738 HB2 PRO 94 2HB PRO 94 -7.405 -3.086 -8.958 739 HB3 PRO 94 1HB PRO 94 -5.727 -3.449 -9.424 740 HG2 PRO 94 2HG PRO 94 -7.521 -1.247 -10.411 741 HG3 PRO 94 1HG PRO 94 -5.801 -1.182 -9.960 742 HD2 PRO 94 2HD PRO 94 -6.721 -1.427 -12.571 743 HD3 PRO 94 1HD PRO 94 -5.103 -1.910 -12.022 744 H SER 95 H SER 95 -8.919 -4.528 -9.082 745 HA SER 95 HA SER 95 -11.094 -5.324 -10.763 746 HB2 SER 95 2HB SER 95 -10.565 -6.473 -8.618 747 HB3 SER 95 1HB SER 95 -10.919 -4.991 -7.731 748 HG SER 95 HG SER 95 -12.863 -6.055 -9.439 749 H GLU 96 H GLU 96 -11.398 -3.175 -7.966 750 HA GLU 96 HA GLU 96 -12.915 -1.200 -9.579 751 HB2 GLU 96 2HB GLU 96 -13.916 -0.649 -7.186 752 HB3 GLU 96 1HB GLU 96 -14.529 -1.997 -8.117 753 HG2 GLU 96 2HG GLU 96 -14.292 -2.596 -5.751 754 HG3 GLU 96 1HG GLU 96 -13.252 -3.585 -6.775 755 H THR 97 H THR 97 -10.032 -1.717 -8.098 756 HA THR 97 HA THR 97 -9.441 0.658 -6.694 757 HB THR 97 HB THR 97 -7.562 -1.219 -8.162 758 HG1 THR 97 HG1 THR 97 -9.216 -1.821 -6.259 759 HG21 THR 97 1HG2 THR 97 -6.433 0.841 -7.392 760 HG22 THR 97 2HG2 THR 97 -5.874 -0.575 -6.498 761 HG23 THR 97 3HG2 THR 97 -7.022 0.540 -5.758 762 H LEU 98 H LEU 98 -9.235 -0.236 -10.089 763 HA LEU 98 HA LEU 98 -9.308 2.556 -10.882 764 HB2 LEU 98 2HB LEU 98 -6.883 2.070 -10.873 765 HB3 LEU 98 1HB LEU 98 -7.136 0.666 -11.895 766 HG LEU 98 HG LEU 98 -7.919 2.175 -13.740 767 HD11 LEU 98 1HD1 LEU 98 -7.106 4.447 -11.907 768 HD12 LEU 98 2HD1 LEU 98 -8.747 4.048 -12.423 769 HD13 LEU 98 3HD1 LEU 98 -7.565 4.593 -13.608 770 HD21 LEU 98 1HD2 LEU 98 -5.144 2.828 -12.697 771 HD22 LEU 98 2HD2 LEU 98 -5.716 3.053 -14.353 772 HD23 LEU 98 3HD2 LEU 98 -5.590 1.430 -13.682 Start of MODEL 16 1 H1 ALA 1 1H ALA 1 10.124 -18.142 12.404 2 H2 ALA 1 2H ALA 1 9.863 -17.269 13.825 3 H3 ALA 1 3H ALA 1 11.438 -17.569 13.290 4 HA ALA 1 HA ALA 1 9.443 -15.938 11.831 5 HB1 ALA 1 1HB ALA 1 11.821 -15.023 13.485 6 HB2 ALA 1 2HB ALA 1 10.129 -14.891 13.967 7 HB3 ALA 1 3HB ALA 1 10.721 -13.974 12.580 8 H GLU 2 H GLU 2 11.195 -18.145 10.871 9 HA GLU 2 HA GLU 2 13.631 -16.965 9.824 10 HB2 GLU 2 2HB GLU 2 12.536 -19.799 9.602 11 HB3 GLU 2 1HB GLU 2 14.102 -19.294 8.988 12 HG2 GLU 2 2HG GLU 2 14.398 -20.442 11.099 13 HG3 GLU 2 1HG GLU 2 14.829 -18.742 11.285 14 H GLN 3 H GLN 3 10.580 -16.808 8.685 15 HA GLN 3 HA GLN 3 11.220 -17.006 5.846 16 HB2 GLN 3 2HB GLN 3 8.906 -16.323 5.455 17 HB3 GLN 3 1HB GLN 3 8.950 -17.640 6.621 18 HG2 GLN 3 2HG GLN 3 8.723 -15.851 8.437 19 HG3 GLN 3 1HG GLN 3 8.383 -14.704 7.140 20 HE21 GLN 3 1HE2 GLN 3 6.452 -14.996 5.907 21 HE22 GLN 3 2HE2 GLN 3 5.127 -15.908 6.517 22 H SER 4 H SER 4 10.790 -15.091 4.466 23 HA SER 4 HA SER 4 12.574 -13.008 5.077 24 HB2 SER 4 2HB SER 4 11.652 -12.005 2.920 25 HB3 SER 4 1HB SER 4 12.248 -13.660 2.785 26 HG SER 4 HG SER 4 9.514 -12.952 3.173 27 H ASP 5 H ASP 5 9.205 -13.338 5.640 28 HA ASP 5 HA ASP 5 8.364 -10.634 5.549 29 HB2 ASP 5 2HB ASP 5 7.037 -13.020 6.902 30 HB3 ASP 5 1HB ASP 5 6.250 -11.496 6.481 31 H LYS 6 H LYS 6 10.169 -12.272 7.909 32 HA LYS 6 HA LYS 6 9.559 -10.832 10.250 33 HB2 LYS 6 2HB LYS 6 11.016 -12.744 10.363 34 HB3 LYS 6 1HB LYS 6 12.144 -12.044 9.209 35 HG2 LYS 6 2HG LYS 6 12.899 -10.403 10.853 36 HG3 LYS 6 1HG LYS 6 11.635 -10.904 11.982 37 HD2 LYS 6 2HD LYS 6 13.856 -11.821 12.598 38 HD3 LYS 6 1HD LYS 6 12.679 -13.090 12.264 39 HE2 LYS 6 2HE LYS 6 14.795 -13.723 11.271 40 HE3 LYS 6 1HE LYS 6 13.685 -13.329 9.960 41 HZ1 LYS 6 1HZ LYS 6 15.812 -12.372 9.537 42 HZ2 LYS 6 2HZ LYS 6 15.844 -11.603 11.039 43 HZ3 LYS 6 3HZ LYS 6 14.730 -11.117 9.863 44 H ASP 7 H ASP 7 11.834 -10.163 7.598 45 HA ASP 7 HA ASP 7 12.427 -7.463 8.582 46 HB2 ASP 7 2HB ASP 7 13.497 -8.955 6.140 47 HB3 ASP 7 1HB ASP 7 14.096 -7.411 6.744 48 H VAL 8 H VAL 8 11.407 -8.941 5.488 49 HA VAL 8 HA VAL 8 9.798 -6.549 4.824 50 HB VAL 8 HB VAL 8 11.946 -6.329 3.648 51 HG11 VAL 8 1HG1 VAL 8 12.653 -8.682 3.548 52 HG12 VAL 8 2HG1 VAL 8 12.731 -7.926 1.954 53 HG13 VAL 8 3HG1 VAL 8 11.401 -9.018 2.346 54 HG21 VAL 8 1HG2 VAL 8 9.719 -7.069 1.722 55 HG22 VAL 8 2HG2 VAL 8 11.137 -6.091 1.331 56 HG23 VAL 8 3HG2 VAL 8 9.953 -5.500 2.496 57 H LYS 9 H LYS 9 7.757 -7.110 4.394 58 HA LYS 9 HA LYS 9 7.007 -9.906 4.181 59 HB2 LYS 9 2HB LYS 9 5.340 -7.378 4.435 60 HB3 LYS 9 1HB LYS 9 4.667 -9.008 4.400 61 HG2 LYS 9 2HG LYS 9 5.990 -9.559 6.441 62 HG3 LYS 9 1HG LYS 9 6.552 -7.883 6.496 63 HD2 LYS 9 2HD LYS 9 4.273 -7.083 6.844 64 HD3 LYS 9 1HD LYS 9 3.623 -8.710 6.624 65 HE2 LYS 9 2HE LYS 9 4.817 -9.442 8.666 66 HE3 LYS 9 1HE LYS 9 5.432 -7.802 8.884 67 HZ1 LYS 9 1HZ LYS 9 2.571 -8.587 8.895 68 HZ2 LYS 9 2HZ LYS 9 3.166 -7.024 9.124 69 HZ3 LYS 9 3HZ LYS 9 3.498 -8.229 10.262 70 H TYR 10 H TYR 10 6.496 -10.951 2.377 71 HA TYR 10 HA TYR 10 6.413 -9.585 -0.195 72 HB2 TYR 10 2HB TYR 10 6.474 -12.502 0.651 73 HB3 TYR 10 1HB TYR 10 6.156 -12.050 -1.022 74 HD1 TYR 10 HD1 TYR 10 8.621 -11.081 1.670 75 HD2 TYR 10 HD2 TYR 10 8.008 -12.131 -2.425 76 HE1 TYR 10 HE1 TYR 10 11.031 -10.866 1.262 77 HE2 TYR 10 HE2 TYR 10 10.420 -11.922 -2.837 78 HH TYR 10 HH TYR 10 12.352 -10.537 -1.716 79 H TYR 11 H TYR 11 4.555 -8.454 -0.254 80 HA TYR 11 HA TYR 11 1.937 -9.619 0.243 81 HB2 TYR 11 2HB TYR 11 3.016 -6.875 -0.374 82 HB3 TYR 11 1HB TYR 11 1.339 -7.181 -0.801 83 HD1 TYR 11 HD1 TYR 11 -0.281 -6.720 0.779 84 HD2 TYR 11 HD2 TYR 11 3.677 -7.578 2.152 85 HE1 TYR 11 HE1 TYR 11 -0.975 -6.246 3.071 86 HE2 TYR 11 HE2 TYR 11 2.979 -7.101 4.458 87 HH TYR 11 HH TYR 11 -0.377 -6.644 5.296 88 H THR 12 H THR 12 0.367 -9.972 -1.274 89 HA THR 12 HA THR 12 1.059 -9.880 -4.143 90 HB THR 12 HB THR 12 -1.062 -11.170 -4.469 91 HG1 THR 12 HG1 THR 12 -2.284 -11.794 -2.759 92 HG21 THR 12 1HG2 THR 12 -0.355 -13.309 -3.477 93 HG22 THR 12 2HG2 THR 12 0.790 -12.461 -2.436 94 HG23 THR 12 3HG2 THR 12 1.016 -12.453 -4.189 95 H LEU 13 H LEU 13 -0.307 -8.683 -5.547 96 HA LEU 13 HA LEU 13 -1.693 -6.415 -4.438 97 HB2 LEU 13 2HB LEU 13 -0.304 -6.523 -6.647 98 HB3 LEU 13 1HB LEU 13 -1.739 -7.223 -7.370 99 HG LEU 13 HG LEU 13 -3.011 -5.163 -6.999 100 HD11 LEU 13 1HD1 LEU 13 -2.031 -3.169 -5.944 101 HD12 LEU 13 2HD1 LEU 13 -0.571 -4.082 -5.544 102 HD13 LEU 13 3HD1 LEU 13 -2.119 -4.511 -4.809 103 HD21 LEU 13 1HD2 LEU 13 -0.264 -4.474 -8.094 104 HD22 LEU 13 2HD2 LEU 13 -1.765 -3.595 -8.404 105 HD23 LEU 13 3HD2 LEU 13 -1.567 -5.241 -9.005 106 H GLU 14 H GLU 14 -2.473 -9.653 -5.451 107 HA GLU 14 HA GLU 14 -5.270 -9.610 -5.520 108 HB2 GLU 14 2HB GLU 14 -3.348 -11.670 -4.374 109 HB3 GLU 14 1HB GLU 14 -5.083 -11.946 -4.456 110 HG2 GLU 14 2HG GLU 14 -3.299 -11.439 -6.851 111 HG3 GLU 14 1HG GLU 14 -3.788 -13.034 -6.282 112 H GLU 15 H GLU 15 -3.054 -9.699 -2.726 113 HA GLU 15 HA GLU 15 -4.920 -9.852 -0.628 114 HB2 GLU 15 2HB GLU 15 -2.556 -10.225 -0.195 115 HB3 GLU 15 1HB GLU 15 -2.136 -8.628 -0.787 116 HG2 GLU 15 2HG GLU 15 -1.924 -8.578 1.594 117 HG3 GLU 15 1HG GLU 15 -3.349 -7.631 1.178 118 H ILE 16 H ILE 16 -3.520 -7.061 -2.314 119 HA ILE 16 HA ILE 16 -4.688 -5.136 -0.535 120 HB ILE 16 HB ILE 16 -3.322 -4.629 -3.210 121 HG12 ILE 16 2HG1 ILE 16 -2.094 -4.757 -0.406 122 HG13 ILE 16 1HG1 ILE 16 -1.859 -5.954 -1.676 123 HG21 ILE 16 1HG2 ILE 16 -2.880 -2.377 -2.284 124 HG22 ILE 16 2HG2 ILE 16 -3.760 -2.805 -0.815 125 HG23 ILE 16 3HG2 ILE 16 -4.612 -2.704 -2.357 126 HD11 ILE 16 1HD1 ILE 16 0.055 -4.514 -1.492 127 HD12 ILE 16 2HD1 ILE 16 -0.944 -3.083 -1.743 128 HD13 ILE 16 3HD1 ILE 16 -0.738 -4.260 -3.043 129 H GLN 17 H GLN 17 -5.571 -6.470 -3.728 130 HA GLN 17 HA GLN 17 -7.525 -4.470 -4.349 131 HB2 GLN 17 2HB GLN 17 -8.265 -5.902 -6.184 132 HB3 GLN 17 1HB GLN 17 -6.513 -5.811 -6.142 133 HG2 GLN 17 2HG GLN 17 -6.664 -8.057 -6.476 134 HG3 GLN 17 1HG GLN 17 -6.840 -8.089 -4.730 135 HE21 GLN 17 1HE2 GLN 17 -7.694 -10.090 -6.507 136 HE22 GLN 17 2HE2 GLN 17 -9.412 -10.216 -6.391 137 H LYS 18 H LYS 18 -7.561 -6.982 -2.071 138 HA LYS 18 HA LYS 18 -10.435 -7.291 -1.868 139 HB2 LYS 18 2HB LYS 18 -8.177 -8.036 0.034 140 HB3 LYS 18 1HB LYS 18 -9.859 -8.488 0.271 141 HG2 LYS 18 2HG LYS 18 -8.258 -9.361 -2.154 142 HG3 LYS 18 1HG LYS 18 -8.271 -10.267 -0.645 143 HD2 LYS 18 2HD LYS 18 -9.879 -11.361 -1.984 144 HD3 LYS 18 1HD LYS 18 -10.839 -10.362 -0.896 145 HE2 LYS 18 2HE LYS 18 -11.041 -8.668 -2.745 146 HE3 LYS 18 1HE LYS 18 -10.188 -9.790 -3.806 147 HZ1 LYS 18 1HZ LYS 18 -12.784 -10.293 -2.461 148 HZ2 LYS 18 2HZ LYS 18 -11.969 -11.386 -3.461 149 HZ3 LYS 18 3HZ LYS 18 -12.559 -9.937 -4.099 150 H HIS 19 H HIS 19 -9.208 -4.556 -1.729 151 HA HIS 19 HA HIS 19 -9.485 -3.521 0.891 152 HB2 HIS 19 2HB HIS 19 -9.461 -1.270 -0.346 153 HB3 HIS 19 1HB HIS 19 -8.054 -2.303 -0.542 154 HD1 HIS 19 HD1 HIS 19 -7.271 -2.513 -2.868 155 HD2 HIS 19 HD2 HIS 19 -11.286 -1.504 -2.769 156 HE1 HIS 19 HE1 HIS 19 -7.936 -2.179 -5.231 157 HE2 HIS 19 HE2 HIS 19 -10.316 -1.382 -5.143 158 H LYS 20 H LYS 20 -11.458 -4.240 1.642 159 HA LYS 20 HA LYS 20 -13.769 -2.600 0.781 160 HB2 LYS 20 2HB LYS 20 -15.222 -4.613 1.537 161 HB3 LYS 20 1HB LYS 20 -14.412 -4.722 -0.015 162 HG2 LYS 20 2HG LYS 20 -14.261 -6.857 1.085 163 HG3 LYS 20 1HG LYS 20 -12.650 -6.145 1.015 164 HD2 LYS 20 2HD LYS 20 -12.819 -5.493 3.382 165 HD3 LYS 20 1HD LYS 20 -14.462 -6.136 3.462 166 HE2 LYS 20 2HE LYS 20 -11.963 -7.762 2.899 167 HE3 LYS 20 1HE LYS 20 -12.786 -7.667 4.455 168 HZ1 LYS 20 1HZ LYS 20 -13.918 -8.786 1.941 169 HZ2 LYS 20 2HZ LYS 20 -14.753 -8.640 3.401 170 HZ3 LYS 20 3HZ LYS 20 -13.417 -9.665 3.298 171 H ASP 21 H ASP 21 -11.554 -2.588 2.918 172 HA ASP 21 HA ASP 21 -13.177 -1.742 5.170 173 HB2 ASP 21 2HB ASP 21 -12.883 -4.343 5.301 174 HB3 ASP 21 1HB ASP 21 -11.189 -4.024 5.644 175 H SER 22 H SER 22 -11.783 -0.764 6.865 176 HA SER 22 HA SER 22 -9.703 0.859 5.844 177 HB2 SER 22 2HB SER 22 -10.363 0.256 8.757 178 HB3 SER 22 1HB SER 22 -9.470 1.658 8.149 179 HG SER 22 HG SER 22 -11.322 2.582 7.839 180 H LYS 23 H LYS 23 -9.697 -2.146 7.804 181 HA LYS 23 HA LYS 23 -6.873 -2.171 8.249 182 HB2 LYS 23 2HB LYS 23 -7.191 -4.428 9.163 183 HB3 LYS 23 1HB LYS 23 -8.344 -3.294 9.820 184 HG2 LYS 23 2HG LYS 23 -9.596 -5.240 9.540 185 HG3 LYS 23 1HG LYS 23 -10.024 -4.281 8.128 186 HD2 LYS 23 2HD LYS 23 -9.687 -6.671 7.572 187 HD3 LYS 23 1HD LYS 23 -8.548 -5.635 6.715 188 HE2 LYS 23 2HE LYS 23 -6.807 -6.216 8.439 189 HE3 LYS 23 1HE LYS 23 -7.971 -7.322 9.175 190 HZ1 LYS 23 1HZ LYS 23 -6.993 -7.513 6.382 191 HZ2 LYS 23 2HZ LYS 23 -8.023 -8.596 7.167 192 HZ3 LYS 23 3HZ LYS 23 -6.423 -8.440 7.677 193 H SER 24 H SER 24 -8.867 -3.161 5.626 194 HA SER 24 HA SER 24 -6.633 -4.516 4.259 195 HB2 SER 24 2HB SER 24 -9.620 -4.359 3.625 196 HB3 SER 24 1HB SER 24 -8.430 -5.173 2.606 197 HG SER 24 HG SER 24 -8.093 -6.669 4.183 198 H THR 25 H THR 25 -5.597 -2.313 4.204 199 HA THR 25 HA THR 25 -6.190 -1.020 1.648 200 HB THR 25 HB THR 25 -6.022 0.656 4.198 201 HG1 THR 25 HG1 THR 25 -8.085 -0.319 3.963 202 HG21 THR 25 1HG2 THR 25 -6.512 1.525 1.327 203 HG22 THR 25 2HG2 THR 25 -5.013 1.776 2.221 204 HG23 THR 25 3HG2 THR 25 -6.496 2.580 2.741 205 H TRP 26 H TRP 26 -4.305 -0.989 0.634 206 HA TRP 26 HA TRP 26 -1.842 -0.057 1.915 207 HB2 TRP 26 2HB TRP 26 -1.994 -2.712 0.403 208 HB3 TRP 26 1HB TRP 26 -0.502 -1.934 0.919 209 HD1 TRP 26 HD TRP 26 -0.031 -1.906 3.636 210 HE1 TRP 26 HE1 TRP 26 -0.831 -3.498 5.488 211 HE3 TRP 26 HE3 TRP 26 -3.840 -4.217 1.131 212 HZ2 TRP 26 HZ2 TRP 26 -2.824 -5.472 5.845 213 HZ3 TRP 26 HZ3 TRP 26 -5.143 -5.952 2.290 214 HH2 TRP 26 HH TRP 26 -4.641 -6.569 4.604 215 H VAL 27 H VAL 27 -0.177 0.451 0.206 216 HA VAL 27 HA VAL 27 -1.285 0.818 -2.522 217 HB VAL 27 HB VAL 27 -0.213 3.122 -2.631 218 HG11 VAL 27 1HG1 VAL 27 -2.062 4.330 -1.525 219 HG12 VAL 27 2HG1 VAL 27 -2.514 2.858 -0.661 220 HG13 VAL 27 3HG1 VAL 27 -2.647 2.923 -2.419 221 HG21 VAL 27 1HG2 VAL 27 0.253 4.327 -0.525 222 HG22 VAL 27 2HG2 VAL 27 1.306 2.923 -0.705 223 HG23 VAL 27 3HG2 VAL 27 -0.073 2.856 0.399 224 H ILE 28 H ILE 28 0.289 0.855 -4.178 225 HA ILE 28 HA ILE 28 3.049 0.114 -3.389 226 HB ILE 28 HB ILE 28 3.132 -1.580 -5.174 227 HG12 ILE 28 2HG1 ILE 28 0.566 -2.252 -6.004 228 HG13 ILE 28 1HG1 ILE 28 0.419 -0.502 -5.943 229 HG21 ILE 28 1HG2 ILE 28 2.484 -2.317 -2.962 230 HG22 ILE 28 2HG2 ILE 28 1.576 -3.243 -4.154 231 HG23 ILE 28 3HG2 ILE 28 0.791 -1.930 -3.278 232 HD11 ILE 28 1HD1 ILE 28 2.473 -2.030 -7.542 233 HD12 ILE 28 2HD1 ILE 28 2.238 -0.279 -7.527 234 HD13 ILE 28 3HD1 ILE 28 0.976 -1.333 -8.162 235 H LEU 29 H LEU 29 4.648 1.133 -4.481 236 HA LEU 29 HA LEU 29 3.863 3.261 -6.342 237 HB2 LEU 29 2HB LEU 29 5.900 4.316 -5.926 238 HB3 LEU 29 1HB LEU 29 5.535 3.575 -4.382 239 HG LEU 29 HG LEU 29 7.519 2.464 -6.412 240 HD11 LEU 29 1HD1 LEU 29 8.319 4.577 -5.508 241 HD12 LEU 29 2HD1 LEU 29 9.278 3.231 -4.899 242 HD13 LEU 29 3HD1 LEU 29 8.070 3.992 -3.859 243 HD21 LEU 29 1HD2 LEU 29 8.268 0.990 -4.597 244 HD22 LEU 29 2HD2 LEU 29 6.577 0.706 -5.001 245 HD23 LEU 29 3HD2 LEU 29 6.995 1.620 -3.552 246 H HIS 30 H HIS 30 5.265 0.109 -6.440 247 HA HIS 30 HA HIS 30 5.181 -0.181 -9.216 248 HB2 HIS 30 2HB HIS 30 7.156 1.387 -9.181 249 HB3 HIS 30 1HB HIS 30 8.037 0.232 -8.190 250 HD1 HIS 30 HD1 HIS 30 9.854 -0.404 -9.826 251 HD2 HIS 30 HD2 HIS 30 6.072 -0.680 -11.502 252 HE1 HIS 30 HE1 HIS 30 10.188 -1.430 -12.081 253 HE2 HIS 30 HE2 HIS 30 7.906 -1.464 -13.128 254 H HIS 31 H HIS 31 7.337 -1.151 -6.527 255 HA HIS 31 HA HIS 31 6.496 -3.968 -6.765 256 HB2 HIS 31 2HB HIS 31 8.478 -3.774 -8.225 257 HB3 HIS 31 1HB HIS 31 9.402 -3.023 -6.933 258 HD1 HIS 31 HD1 HIS 31 10.870 -4.596 -5.672 259 HD2 HIS 31 HD2 HIS 31 7.715 -6.596 -7.491 260 HE1 HIS 31 HE1 HIS 31 11.225 -7.024 -5.154 261 HE2 HIS 31 HE2 HIS 31 9.200 -8.175 -6.094 262 H LYS 32 H LYS 32 7.294 -1.327 -4.747 263 HA LYS 32 HA LYS 32 7.470 -3.113 -2.376 264 HB2 LYS 32 2HB LYS 32 8.056 -0.138 -2.653 265 HB3 LYS 32 1HB LYS 32 8.016 -0.979 -1.109 266 HG2 LYS 32 2HG LYS 32 9.933 -1.584 -3.390 267 HG3 LYS 32 1HG LYS 32 10.307 -0.637 -1.943 268 HD2 LYS 32 2HD LYS 32 9.642 -2.734 -0.591 269 HD3 LYS 32 1HD LYS 32 9.673 -3.598 -2.132 270 HE2 LYS 32 2HE LYS 32 12.020 -2.102 -0.913 271 HE3 LYS 32 1HE LYS 32 11.781 -3.847 -0.862 272 HZ1 LYS 32 1HZ LYS 32 12.140 -2.227 -3.327 273 HZ2 LYS 32 2HZ LYS 32 11.928 -3.903 -3.275 274 HZ3 LYS 32 3HZ LYS 32 13.313 -3.205 -2.608 275 H VAL 33 H VAL 33 5.861 -3.150 -0.908 276 HA VAL 33 HA VAL 33 3.401 -1.586 -1.398 277 HB VAL 33 HB VAL 33 3.042 -4.012 -1.337 278 HG11 VAL 33 1HG1 VAL 33 4.959 -4.700 0.008 279 HG12 VAL 33 2HG1 VAL 33 3.475 -5.357 0.689 280 HG13 VAL 33 3HG1 VAL 33 4.248 -3.968 1.449 281 HG21 VAL 33 1HG2 VAL 33 1.936 -2.715 1.188 282 HG22 VAL 33 2HG2 VAL 33 1.291 -4.162 0.405 283 HG23 VAL 33 3HG2 VAL 33 1.231 -2.607 -0.428 284 H TYR 34 H TYR 34 2.477 -0.373 0.228 285 HA TYR 34 HA TYR 34 4.071 0.244 2.640 286 HB2 TYR 34 2HB TYR 34 2.441 2.210 0.957 287 HB3 TYR 34 1HB TYR 34 3.372 2.604 2.399 288 HD1 TYR 34 HD1 TYR 34 5.833 2.746 2.315 289 HD2 TYR 34 HD2 TYR 34 3.581 1.768 -1.196 290 HE1 TYR 34 HE1 TYR 34 7.786 3.194 0.923 291 HE2 TYR 34 HE2 TYR 34 5.546 2.229 -2.583 292 HH TYR 34 HH TYR 34 8.644 2.511 -1.331 293 H ASP 35 H ASP 35 2.825 0.948 4.429 294 HA ASP 35 HA ASP 35 0.362 -0.550 4.744 295 HB2 ASP 35 2HB ASP 35 2.233 -0.789 6.384 296 HB3 ASP 35 1HB ASP 35 2.125 0.923 6.764 297 H LEU 36 H LEU 36 -1.169 0.701 3.704 298 HA LEU 36 HA LEU 36 -1.400 3.547 4.351 299 HB2 LEU 36 2HB LEU 36 -1.696 2.253 1.966 300 HB3 LEU 36 1HB LEU 36 -3.365 2.275 2.483 301 HG LEU 36 HG LEU 36 -2.817 4.171 0.972 302 HD11 LEU 36 1HD1 LEU 36 -3.464 5.147 3.751 303 HD12 LEU 36 2HD1 LEU 36 -4.615 4.476 2.594 304 HD13 LEU 36 3HD1 LEU 36 -3.788 5.991 2.234 305 HD21 LEU 36 1HD2 LEU 36 -1.337 5.986 1.642 306 HD22 LEU 36 2HD2 LEU 36 -0.448 4.467 1.605 307 HD23 LEU 36 3HD2 LEU 36 -0.946 5.152 3.149 308 H THR 37 H THR 37 -2.617 0.585 5.386 309 HA THR 37 HA THR 37 -5.233 1.233 6.201 310 HB THR 37 HB THR 37 -4.828 -1.070 6.064 311 HG1 THR 37 HG1 THR 37 -5.994 -0.477 7.972 312 HG21 THR 37 1HG2 THR 37 -2.435 -0.777 7.903 313 HG22 THR 37 2HG2 THR 37 -2.380 -1.074 6.163 314 HG23 THR 37 3HG2 THR 37 -3.055 -2.295 7.244 315 H LYS 38 H LYS 38 -2.116 1.645 7.926 316 HA LYS 38 HA LYS 38 -3.564 2.860 10.203 317 HB2 LYS 38 2HB LYS 38 -1.526 1.203 10.423 318 HB3 LYS 38 1HB LYS 38 -0.556 2.621 10.073 319 HG2 LYS 38 2HG LYS 38 -2.248 3.503 12.135 320 HG3 LYS 38 1HG LYS 38 -1.929 1.826 12.572 321 HD2 LYS 38 2HD LYS 38 -0.275 3.181 13.656 322 HD3 LYS 38 1HD LYS 38 0.540 2.326 12.341 323 HE2 LYS 38 2HE LYS 38 1.306 4.617 12.309 324 HE3 LYS 38 1HE LYS 38 0.233 4.405 10.920 325 HZ1 LYS 38 1HZ LYS 38 -1.517 5.487 12.073 326 HZ2 LYS 38 2HZ LYS 38 -0.140 6.474 12.153 327 HZ3 LYS 38 3HZ LYS 38 -0.614 5.577 13.501 328 H PHE 39 H PHE 39 -1.911 3.711 7.337 329 HA PHE 39 HA PHE 39 -1.026 6.344 7.928 330 HB2 PHE 39 2HB PHE 39 -0.553 4.744 5.885 331 HB3 PHE 39 1HB PHE 39 -2.011 5.428 5.198 332 HD1 PHE 39 HD1 PHE 39 -2.021 7.845 4.463 333 HD2 PHE 39 HD2 PHE 39 1.504 5.972 5.989 334 HE1 PHE 39 HE1 PHE 39 -0.627 9.626 3.489 335 HE2 PHE 39 HE2 PHE 39 2.877 7.758 5.020 336 HZ PHE 39 HZ PHE 39 1.819 9.578 3.757 337 H LEU 40 H LEU 40 -4.096 4.973 6.842 338 HA LEU 40 HA LEU 40 -5.390 7.396 6.157 339 HB2 LEU 40 2HB LEU 40 -7.398 6.073 5.893 340 HB3 LEU 40 1HB LEU 40 -6.024 5.257 5.191 341 HG LEU 40 HG LEU 40 -6.043 3.880 7.487 342 HD11 LEU 40 1HD1 LEU 40 -8.299 3.465 8.362 343 HD12 LEU 40 2HD1 LEU 40 -8.947 4.732 7.314 344 HD13 LEU 40 3HD1 LEU 40 -7.816 5.141 8.602 345 HD21 LEU 40 1HD2 LEU 40 -7.457 2.161 6.452 346 HD22 LEU 40 2HD2 LEU 40 -6.344 2.866 5.283 347 HD23 LEU 40 3HD2 LEU 40 -8.045 3.340 5.273 348 H GLU 41 H GLU 41 -5.038 5.678 9.192 349 HA GLU 41 HA GLU 41 -7.319 7.099 10.399 350 HB2 GLU 41 2HB GLU 41 -6.979 5.590 12.343 351 HB3 GLU 41 1HB GLU 41 -7.225 4.722 10.840 352 HG2 GLU 41 2HG GLU 41 -5.548 3.474 11.838 353 HG3 GLU 41 1HG GLU 41 -4.623 4.529 10.777 354 H GLU 42 H GLU 42 -3.977 7.511 10.054 355 HA GLU 42 HA GLU 42 -3.408 8.736 12.566 356 HB2 GLU 42 2HB GLU 42 -1.723 7.604 11.077 357 HB3 GLU 42 1HB GLU 42 -1.835 8.981 9.978 358 HG2 GLU 42 2HG GLU 42 -0.900 10.476 11.612 359 HG3 GLU 42 1HG GLU 42 -1.060 9.279 12.897 360 H TRP 43 H TRP 43 -3.608 10.280 9.266 361 HA TRP 43 HA TRP 43 -4.343 12.812 10.627 362 HB2 TRP 43 2HB TRP 43 -3.116 12.407 7.880 363 HB3 TRP 43 1HB TRP 43 -3.756 13.949 8.418 364 HD1 TRP 43 HD TRP 43 -1.452 11.548 10.411 365 HE1 TRP 43 HE1 TRP 43 0.662 12.830 11.062 366 HE3 TRP 43 HE3 TRP 43 -2.357 15.922 7.939 367 HZ2 TRP 43 HZ2 TRP 43 1.835 15.340 10.575 368 HZ3 TRP 43 HZ3 TRP 43 -0.670 17.712 8.059 369 HH2 TRP 43 HH TRP 43 1.387 17.428 9.351 370 HA PRO 44 HA PRO 44 -7.404 13.147 6.978 371 HB2 PRO 44 2HB PRO 44 -8.066 10.995 5.357 372 HB3 PRO 44 1HB PRO 44 -6.734 12.116 5.010 373 HG2 PRO 44 2HG PRO 44 -6.625 9.377 6.217 374 HG3 PRO 44 1HG PRO 44 -5.532 10.135 5.038 375 HD2 PRO 44 2HD PRO 44 -4.924 9.928 7.702 376 HD3 PRO 44 1HD PRO 44 -4.319 11.246 6.673 377 H GLY 45 H GLY 45 -7.582 9.937 8.478 378 HA2 GLY 45 2HA GLY 45 -9.118 9.007 9.889 379 HA3 GLY 45 1HA GLY 45 -9.957 10.548 9.939 380 H GLY 46 H GLY 46 -9.696 9.687 6.713 381 HA2 GLY 46 2HA GLY 46 -12.317 8.273 6.679 382 HA3 GLY 46 1HA GLY 46 -11.888 9.568 5.561 383 H GLU 47 H GLU 47 -11.767 6.232 6.152 384 HA GLU 47 HA GLU 47 -9.561 5.523 4.536 385 HB2 GLU 47 2HB GLU 47 -10.319 3.253 4.604 386 HB3 GLU 47 1HB GLU 47 -10.619 3.944 6.192 387 HG2 GLU 47 2HG GLU 47 -12.736 3.523 4.039 388 HG3 GLU 47 1HG GLU 47 -12.414 2.416 5.376 389 H GLU 48 H GLU 48 -12.891 6.353 3.822 390 HA GLU 48 HA GLU 48 -13.617 5.127 1.531 391 HB2 GLU 48 2HB GLU 48 -14.945 7.206 0.996 392 HB3 GLU 48 1HB GLU 48 -15.115 6.630 2.650 393 HG2 GLU 48 2HG GLU 48 -13.567 8.377 3.440 394 HG3 GLU 48 1HG GLU 48 -13.333 8.937 1.785 395 H VAL 49 H VAL 49 -11.467 7.988 1.597 396 HA VAL 49 HA VAL 49 -11.526 8.487 -1.199 397 HB VAL 49 HB VAL 49 -11.070 10.274 0.399 398 HG11 VAL 49 1HG1 VAL 49 -9.854 9.002 2.122 399 HG12 VAL 49 2HG1 VAL 49 -8.969 10.458 1.668 400 HG13 VAL 49 3HG1 VAL 49 -8.446 8.885 1.059 401 HG21 VAL 49 1HG2 VAL 49 -10.177 10.567 -1.869 402 HG22 VAL 49 2HG2 VAL 49 -8.655 9.818 -1.382 403 HG23 VAL 49 3HG2 VAL 49 -9.142 11.358 -0.674 404 H LEU 50 H LEU 50 -9.449 6.499 0.802 405 HA LEU 50 HA LEU 50 -7.448 6.174 -1.372 406 HB2 LEU 50 2HB LEU 50 -5.955 5.507 0.664 407 HB3 LEU 50 1HB LEU 50 -6.326 7.188 0.382 408 HG LEU 50 HG LEU 50 -8.255 6.845 2.131 409 HD11 LEU 50 1HD1 LEU 50 -6.468 4.535 2.915 410 HD12 LEU 50 2HD1 LEU 50 -8.098 4.408 2.251 411 HD13 LEU 50 3HD1 LEU 50 -7.850 5.156 3.823 412 HD21 LEU 50 1HD2 LEU 50 -6.788 7.468 3.978 413 HD22 LEU 50 2HD2 LEU 50 -6.293 8.301 2.508 414 HD23 LEU 50 3HD2 LEU 50 -5.373 6.913 3.085 415 H ARG 51 H ARG 51 -9.705 4.503 0.574 416 HA ARG 51 HA ARG 51 -8.486 1.901 0.510 417 HB2 ARG 51 2HB ARG 51 -9.817 2.544 2.441 418 HB3 ARG 51 1HB ARG 51 -11.219 2.864 1.439 419 HG2 ARG 51 2HG ARG 51 -10.151 0.059 1.407 420 HG3 ARG 51 1HG ARG 51 -10.919 0.595 2.902 421 HD2 ARG 51 2HD ARG 51 -12.178 0.538 0.132 422 HD3 ARG 51 1HD ARG 51 -12.552 -0.538 1.483 423 HE ARG 51 HE ARG 51 -13.241 1.633 2.672 424 HH11 ARG 51 1HH1 ARG 51 -13.676 1.121 -0.777 425 HH12 ARG 51 2HH1 ARG 51 -15.025 2.200 -0.897 426 HH21 ARG 51 1HH2 ARG 51 -15.024 3.056 2.493 427 HH22 ARG 51 2HH2 ARG 51 -15.787 3.295 0.953 428 H GLU 52 H GLU 52 -10.960 3.658 -1.307 429 HA GLU 52 HA GLU 52 -11.894 1.474 -2.871 430 HB2 GLU 52 2HB GLU 52 -12.800 3.212 -4.395 431 HB3 GLU 52 1HB GLU 52 -13.173 3.540 -2.707 432 HG2 GLU 52 2HG GLU 52 -11.415 5.243 -2.611 433 HG3 GLU 52 1HG GLU 52 -10.946 4.880 -4.275 434 H GLN 53 H GLN 53 -9.137 3.654 -3.216 435 HA GLN 53 HA GLN 53 -8.281 2.284 -5.699 436 HB2 GLN 53 2HB GLN 53 -7.097 4.321 -6.300 437 HB3 GLN 53 1HB GLN 53 -8.785 4.698 -5.981 438 HG2 GLN 53 2HG GLN 53 -8.176 5.602 -3.764 439 HG3 GLN 53 1HG GLN 53 -6.485 5.199 -4.051 440 HE21 GLN 53 1HE2 GLN 53 -5.345 6.345 -5.711 441 HE22 GLN 53 2HE2 GLN 53 -5.848 7.916 -6.217 442 H ALA 54 H ALA 54 -7.853 1.229 -3.068 443 HA ALA 54 HA ALA 54 -5.133 1.706 -2.249 444 HB1 ALA 54 1HB ALA 54 -5.498 -0.169 -0.692 445 HB2 ALA 54 2HB ALA 54 -7.020 -0.550 -1.502 446 HB3 ALA 54 3HB ALA 54 -6.845 0.976 -0.637 447 H GLY 55 H GLY 55 -3.365 0.886 -3.217 448 HA2 GLY 55 2HA GLY 55 -2.002 -0.828 -4.141 449 HA3 GLY 55 1HA GLY 55 -3.441 -1.684 -4.667 450 H GLY 56 H GLY 56 -3.912 1.518 -5.400 451 HA2 GLY 56 2HA GLY 56 -3.608 1.177 -8.218 452 HA3 GLY 56 1HA GLY 56 -4.052 2.654 -7.378 453 H ASP 57 H ASP 57 -2.140 3.562 -6.009 454 HA ASP 57 HA ASP 57 0.496 3.230 -7.197 455 HB2 ASP 57 2HB ASP 57 -0.584 4.855 -8.746 456 HB3 ASP 57 1HB ASP 57 -1.030 5.880 -7.381 457 H ALA 58 H ALA 58 2.130 4.506 -5.999 458 HA ALA 58 HA ALA 58 1.345 5.742 -3.459 459 HB1 ALA 58 1HB ALA 58 3.016 4.501 -2.172 460 HB2 ALA 58 2HB ALA 58 3.471 3.580 -3.608 461 HB3 ALA 58 3HB ALA 58 1.866 3.382 -2.911 462 H THR 59 H THR 59 3.140 5.794 -6.293 463 HA THR 59 HA THR 59 5.583 6.996 -5.488 464 HB THR 59 HB THR 59 4.187 7.226 -8.197 465 HG1 THR 59 HG1 THR 59 4.463 5.130 -8.143 466 HG21 THR 59 1HG2 THR 59 6.083 8.796 -7.951 467 HG22 THR 59 2HG2 THR 59 6.476 7.516 -9.101 468 HG23 THR 59 3HG2 THR 59 7.134 7.463 -7.465 469 H GLU 60 H GLU 60 2.559 8.273 -6.775 470 HA GLU 60 HA GLU 60 3.175 11.002 -5.809 471 HB2 GLU 60 2HB GLU 60 1.424 10.130 -8.152 472 HB3 GLU 60 1HB GLU 60 1.650 11.798 -7.622 473 HG2 GLU 60 2HG GLU 60 4.037 11.678 -8.192 474 HG3 GLU 60 1HG GLU 60 3.859 9.983 -8.656 475 H ASN 61 H ASN 61 0.980 8.301 -5.791 476 HA ASN 61 HA ASN 61 -1.475 9.585 -5.175 477 HB2 ASN 61 2HB ASN 61 -0.974 7.172 -6.034 478 HB3 ASN 61 1HB ASN 61 -0.798 6.740 -4.349 479 HD21 ASN 61 1HD2 ASN 61 -3.167 8.834 -3.931 480 HD22 ASN 61 2HD2 ASN 61 -4.533 7.870 -4.308 481 H PHE 62 H PHE 62 1.177 8.514 -3.167 482 HA PHE 62 HA PHE 62 0.077 8.098 -0.673 483 HB2 PHE 62 2HB PHE 62 2.297 8.436 0.233 484 HB3 PHE 62 1HB PHE 62 2.491 7.705 -1.356 485 HD1 PHE 62 HD1 PHE 62 3.036 9.303 -3.345 486 HD2 PHE 62 HD2 PHE 62 3.400 10.483 0.739 487 HE1 PHE 62 HE1 PHE 62 4.454 11.198 -4.003 488 HE2 PHE 62 HE2 PHE 62 4.810 12.362 0.061 489 HZ PHE 62 HZ PHE 62 5.339 12.728 -2.301 490 H GLU 63 H GLU 63 0.799 11.185 -2.230 491 HA GLU 63 HA GLU 63 0.222 12.804 0.112 492 HB2 GLU 63 2HB GLU 63 1.971 13.580 -1.398 493 HB3 GLU 63 1HB GLU 63 0.866 13.546 -2.772 494 HG2 GLU 63 2HG GLU 63 -0.492 15.344 -1.660 495 HG3 GLU 63 1HG GLU 63 0.709 15.407 -0.370 496 H ASP 64 H ASP 64 -1.240 12.100 -3.058 497 HA ASP 64 HA ASP 64 -3.309 13.936 -3.132 498 HB2 ASP 64 2HB ASP 64 -2.718 12.592 -5.083 499 HB3 ASP 64 1HB ASP 64 -3.200 11.106 -4.273 500 H VAL 65 H VAL 65 -3.468 10.611 -1.919 501 HA VAL 65 HA VAL 65 -6.122 11.085 -0.713 502 HB VAL 65 HB VAL 65 -6.237 8.638 -0.433 503 HG11 VAL 65 1HG1 VAL 65 -5.503 9.489 -3.253 504 HG12 VAL 65 2HG1 VAL 65 -7.094 9.627 -2.495 505 HG13 VAL 65 3HG1 VAL 65 -6.409 8.033 -2.820 506 HG21 VAL 65 1HG2 VAL 65 -3.837 8.118 -0.120 507 HG22 VAL 65 2HG2 VAL 65 -3.516 8.529 -1.807 508 HG23 VAL 65 3HG2 VAL 65 -4.529 7.139 -1.415 509 H GLY 66 H GLY 66 -2.812 10.839 0.169 510 HA2 GLY 66 2HA GLY 66 -3.317 9.935 2.922 511 HA3 GLY 66 1HA GLY 66 -1.753 10.154 2.149 512 H PHE 67 H PHE 67 -0.617 11.765 3.101 513 HA PHE 67 HA PHE 67 -2.032 13.932 4.525 514 HB2 PHE 67 2HB PHE 67 0.966 13.355 4.606 515 HB3 PHE 67 1HB PHE 67 0.028 14.295 5.754 516 HD1 PHE 67 HD1 PHE 67 1.962 12.133 6.536 517 HD2 PHE 67 HD2 PHE 67 -2.242 11.917 5.737 518 HE1 PHE 67 HE1 PHE 67 1.767 10.143 7.968 519 HE2 PHE 67 HE2 PHE 67 -2.407 9.942 7.174 520 HZ PHE 67 HZ PHE 67 -0.412 9.050 8.292 521 H SER 68 H SER 68 0.066 15.865 4.402 522 HA SER 68 HA SER 68 -0.198 16.966 1.735 523 HB2 SER 68 2HB SER 68 1.188 18.834 2.787 524 HB3 SER 68 1HB SER 68 -0.321 18.482 3.631 525 HG SER 68 HG SER 68 0.799 17.977 5.325 526 H THR 69 H THR 69 2.438 18.201 1.577 527 HA THR 69 HA THR 69 4.112 16.284 0.412 528 HB THR 69 HB THR 69 4.925 18.965 1.620 529 HG1 THR 69 HG1 THR 69 3.605 18.237 -0.760 530 HG21 THR 69 1HG2 THR 69 6.875 17.558 0.984 531 HG22 THR 69 2HG2 THR 69 6.719 18.945 -0.090 532 HG23 THR 69 3HG2 THR 69 6.188 17.358 -0.639 533 H ASP 70 H ASP 70 3.558 17.051 3.738 534 HA ASP 70 HA ASP 70 5.734 16.089 5.142 535 HB2 ASP 70 2HB ASP 70 3.820 17.079 6.265 536 HB3 ASP 70 1HB ASP 70 2.739 15.830 5.659 537 H ALA 71 H ALA 71 3.240 14.292 3.438 538 HA ALA 71 HA ALA 71 3.574 11.743 4.553 539 HB1 ALA 71 1HB ALA 71 2.263 10.950 2.637 540 HB2 ALA 71 2HB ALA 71 2.538 12.484 1.803 541 HB3 ALA 71 3HB ALA 71 1.586 12.445 3.285 542 H ARG 72 H ARG 72 5.699 13.410 2.384 543 HA ARG 72 HA ARG 72 6.639 11.302 0.774 544 HB2 ARG 72 2HB ARG 72 8.559 12.693 0.258 545 HB3 ARG 72 1HB ARG 72 7.122 13.705 0.323 546 HG2 ARG 72 2HG ARG 72 7.773 14.511 2.560 547 HG3 ARG 72 1HG ARG 72 9.193 13.466 2.536 548 HD2 ARG 72 2HD ARG 72 10.044 14.713 0.563 549 HD3 ARG 72 1HD ARG 72 8.643 15.790 0.663 550 HE ARG 72 HE ARG 72 9.685 15.978 3.140 551 HH11 ARG 72 1HH1 ARG 72 11.214 16.292 -0.017 552 HH12 ARG 72 2HH1 ARG 72 12.420 17.405 0.548 553 HH21 ARG 72 1HH2 ARG 72 11.249 17.453 3.863 554 HH22 ARG 72 2HH2 ARG 72 12.438 18.068 2.756 555 H GLU 73 H GLU 73 7.658 12.417 3.971 556 HA GLU 73 HA GLU 73 9.859 10.531 4.186 557 HB2 GLU 73 2HB GLU 73 8.708 12.601 6.103 558 HB3 GLU 73 1HB GLU 73 10.103 11.586 6.481 559 HG2 GLU 73 2HG GLU 73 11.422 12.595 4.744 560 HG3 GLU 73 1HG GLU 73 10.018 13.433 4.077 561 H LEU 74 H LEU 74 6.520 10.829 5.225 562 HA LEU 74 HA LEU 74 6.572 8.769 7.191 563 HB2 LEU 74 2HB LEU 74 4.358 10.162 5.691 564 HB3 LEU 74 1HB LEU 74 3.979 8.733 6.636 565 HG LEU 74 HG LEU 74 3.510 10.708 7.964 566 HD11 LEU 74 1HD1 LEU 74 4.835 10.241 9.959 567 HD12 LEU 74 2HD1 LEU 74 5.997 9.324 8.998 568 HD13 LEU 74 3HD1 LEU 74 4.333 8.753 9.160 569 HD21 LEU 74 1HD2 LEU 74 4.984 12.330 6.898 570 HD22 LEU 74 2HD2 LEU 74 6.406 11.529 7.572 571 HD23 LEU 74 3HD2 LEU 74 5.240 12.318 8.641 572 H SER 75 H SER 75 5.700 8.745 3.727 573 HA SER 75 HA SER 75 4.875 6.079 3.550 574 HB2 SER 75 2HB SER 75 5.411 6.315 1.090 575 HB3 SER 75 1HB SER 75 4.404 7.609 1.736 576 HG SER 75 HG SER 75 6.071 8.994 1.618 577 H LYS 76 H LYS 76 8.087 7.443 3.747 578 HA LYS 76 HA LYS 76 9.604 5.272 2.768 579 HB2 LYS 76 2HB LYS 76 10.458 7.315 4.856 580 HB3 LYS 76 1HB LYS 76 11.536 6.319 3.879 581 HG2 LYS 76 2HG LYS 76 9.767 8.596 2.950 582 HG3 LYS 76 1HG LYS 76 11.528 8.574 3.016 583 HD2 LYS 76 2HD LYS 76 9.816 6.835 1.185 584 HD3 LYS 76 1HD LYS 76 10.629 8.325 0.704 585 HE2 LYS 76 2HE LYS 76 12.812 7.315 1.139 586 HE3 LYS 76 1HE LYS 76 12.040 5.839 1.729 587 HZ1 LYS 76 1HZ LYS 76 11.744 6.907 -1.020 588 HZ2 LYS 76 2HZ LYS 76 11.143 5.437 -0.438 589 HZ3 LYS 76 3HZ LYS 76 12.811 5.674 -0.580 590 H LYS 77 H LYS 77 8.290 5.975 5.988 591 HA LYS 77 HA LYS 77 9.673 3.673 7.183 592 HB2 LYS 77 2HB LYS 77 8.740 4.418 9.331 593 HB3 LYS 77 1HB LYS 77 9.567 5.739 8.517 594 HG2 LYS 77 2HG LYS 77 7.473 6.762 7.885 595 HG3 LYS 77 1HG LYS 77 6.553 5.368 8.451 596 HD2 LYS 77 2HD LYS 77 8.196 7.212 10.233 597 HD3 LYS 77 1HD LYS 77 6.454 7.335 9.984 598 HE2 LYS 77 2HE LYS 77 6.220 5.002 10.902 599 HE3 LYS 77 1HE LYS 77 7.943 5.029 11.286 600 HZ1 LYS 77 1HZ LYS 77 6.580 5.610 13.204 601 HZ2 LYS 77 2HZ LYS 77 5.908 6.915 12.361 602 HZ3 LYS 77 3HZ LYS 77 7.553 6.914 12.741 603 H TYR 78 H TYR 78 6.605 4.371 5.752 604 HA TYR 78 HA TYR 78 5.176 2.248 7.132 605 HB2 TYR 78 2HB TYR 78 4.391 4.232 4.987 606 HB3 TYR 78 1HB TYR 78 3.369 2.836 5.307 607 HD1 TYR 78 HD1 TYR 78 2.124 2.648 7.448 608 HD2 TYR 78 HD2 TYR 78 4.544 6.049 6.647 609 HE1 TYR 78 HE1 TYR 78 1.015 3.880 9.262 610 HE2 TYR 78 HE2 TYR 78 3.463 7.282 8.444 611 HH TYR 78 HH TYR 78 1.379 7.263 9.674 612 H ILE 79 H ILE 79 7.524 2.048 4.864 613 HA ILE 79 HA ILE 79 6.433 0.292 2.916 614 HB ILE 79 HB ILE 79 8.558 1.370 2.471 615 HG12 ILE 79 2HG1 ILE 79 8.948 -1.649 2.709 616 HG13 ILE 79 1HG1 ILE 79 8.226 -0.795 1.349 617 HG21 ILE 79 1HG2 ILE 79 9.413 1.537 4.773 618 HG22 ILE 79 2HG2 ILE 79 10.635 0.906 3.671 619 HG23 ILE 79 3HG2 ILE 79 9.787 -0.190 4.762 620 HD11 ILE 79 1HD1 ILE 79 10.487 -1.484 0.850 621 HD12 ILE 79 2HD1 ILE 79 11.106 -0.597 2.241 622 HD13 ILE 79 3HD1 ILE 79 10.379 0.274 0.885 623 H ILE 80 H ILE 80 5.238 -1.320 3.701 624 HA ILE 80 HA ILE 80 5.903 -2.729 6.159 625 HB ILE 80 HB ILE 80 3.577 -1.953 5.713 626 HG12 ILE 80 2HG1 ILE 80 3.730 -4.995 5.930 627 HG13 ILE 80 1HG1 ILE 80 4.002 -3.872 7.258 628 HG21 ILE 80 1HG2 ILE 80 2.119 -3.061 4.089 629 HG22 ILE 80 2HG2 ILE 80 3.469 -4.043 3.517 630 HG23 ILE 80 3HG2 ILE 80 3.487 -2.294 3.280 631 HD11 ILE 80 1HD1 ILE 80 1.413 -4.186 5.743 632 HD12 ILE 80 2HD1 ILE 80 1.708 -3.103 7.107 633 HD13 ILE 80 3HD1 ILE 80 1.783 -4.849 7.336 634 H GLY 81 H GLY 81 6.178 -3.184 2.773 635 HA2 GLY 81 2HA GLY 81 8.026 -5.279 3.030 636 HA3 GLY 81 1HA GLY 81 6.467 -5.973 2.594 637 H GLU 82 H GLU 82 7.450 -6.691 0.673 638 HA GLU 82 HA GLU 82 7.469 -4.626 -1.442 639 HB2 GLU 82 2HB GLU 82 8.949 -6.129 -2.747 640 HB3 GLU 82 1HB GLU 82 9.691 -5.583 -1.245 641 HG2 GLU 82 2HG GLU 82 9.039 -7.789 -0.213 642 HG3 GLU 82 1HG GLU 82 8.526 -8.321 -1.817 643 H LEU 83 H LEU 83 6.008 -4.855 -2.984 644 HA LEU 83 HA LEU 83 4.004 -6.863 -3.012 645 HB2 LEU 83 2HB LEU 83 3.979 -4.369 -3.864 646 HB3 LEU 83 1HB LEU 83 4.622 -5.024 -5.355 647 HG LEU 83 HG LEU 83 2.122 -4.605 -5.327 648 HD11 LEU 83 1HD1 LEU 83 1.449 -6.599 -6.494 649 HD12 LEU 83 2HD1 LEU 83 2.834 -7.485 -5.851 650 HD13 LEU 83 3HD1 LEU 83 3.084 -6.142 -6.965 651 HD21 LEU 83 1HD2 LEU 83 1.669 -5.266 -3.021 652 HD22 LEU 83 2HD2 LEU 83 2.048 -6.949 -3.408 653 HD23 LEU 83 3HD2 LEU 83 0.654 -6.162 -4.150 654 H HIS 84 H HIS 84 3.694 -8.544 -4.552 655 HA HIS 84 HA HIS 84 5.995 -9.996 -5.315 656 HB2 HIS 84 2HB HIS 84 3.031 -10.375 -5.767 657 HB3 HIS 84 1HB HIS 84 4.165 -11.399 -6.640 658 HD1 HIS 84 HD1 HIS 84 2.929 -13.318 -5.254 659 HD2 HIS 84 HD2 HIS 84 5.368 -10.767 -3.077 660 HE1 HIS 84 HE1 HIS 84 3.341 -14.483 -3.074 661 HE2 HIS 84 HE2 HIS 84 4.950 -12.992 -1.845 662 HA PRO 85 HA PRO 85 6.905 -8.116 -9.323 663 HB2 PRO 85 2HB PRO 85 8.366 -10.232 -10.408 664 HB3 PRO 85 1HB PRO 85 9.019 -9.061 -9.246 665 HG2 PRO 85 2HG PRO 85 7.949 -11.819 -8.731 666 HG3 PRO 85 1HG PRO 85 9.399 -11.030 -8.069 667 HD2 PRO 85 2HD PRO 85 7.139 -11.206 -6.613 668 HD3 PRO 85 1HD PRO 85 8.176 -9.764 -6.523 669 H ASP 86 H ASP 86 5.350 -11.235 -8.993 670 HA ASP 86 HA ASP 86 4.345 -11.529 -11.652 671 HB2 ASP 86 2HB ASP 86 4.432 -13.504 -10.283 672 HB3 ASP 86 1HB ASP 86 3.575 -12.722 -8.964 673 H ASP 87 H ASP 87 3.037 -10.233 -8.630 674 HA ASP 87 HA ASP 87 0.365 -9.926 -9.621 675 HB2 ASP 87 2HB ASP 87 1.765 -9.223 -7.039 676 HB3 ASP 87 1HB ASP 87 0.138 -8.637 -7.334 677 H ARG 88 H ARG 88 3.112 -7.753 -9.238 678 HA ARG 88 HA ARG 88 1.638 -5.314 -9.466 679 HB2 ARG 88 2HB ARG 88 3.846 -4.216 -9.683 680 HB3 ARG 88 1HB ARG 88 3.815 -5.360 -8.355 681 HG2 ARG 88 2HG ARG 88 5.894 -5.812 -9.258 682 HG3 ARG 88 1HG ARG 88 4.906 -7.017 -10.082 683 HD2 ARG 88 2HD ARG 88 4.719 -5.292 -12.000 684 HD3 ARG 88 1HD ARG 88 6.027 -4.425 -11.196 685 HE ARG 88 HE ARG 88 7.027 -6.916 -11.427 686 HH11 ARG 88 1HH1 ARG 88 5.549 -4.769 -13.801 687 HH12 ARG 88 2HH1 ARG 88 6.456 -5.420 -15.123 688 HH21 ARG 88 1HH2 ARG 88 8.210 -7.739 -13.194 689 HH22 ARG 88 2HH2 ARG 88 7.955 -7.097 -14.785 690 H SER 89 H SER 89 2.836 -7.606 -11.779 691 HA SER 89 HA SER 89 2.496 -5.783 -14.065 692 HB2 SER 89 2HB SER 89 3.449 -7.677 -15.379 693 HB3 SER 89 1HB SER 89 4.496 -7.219 -14.033 694 HG SER 89 HG SER 89 3.230 -9.583 -14.516 695 H LYS 90 H LYS 90 1.155 -8.669 -12.583 696 HA LYS 90 HA LYS 90 -0.700 -9.479 -14.543 697 HB2 LYS 90 2HB LYS 90 0.099 -10.917 -12.697 698 HB3 LYS 90 1HB LYS 90 -0.685 -9.876 -11.518 699 HG2 LYS 90 2HG LYS 90 -2.897 -10.545 -12.388 700 HG3 LYS 90 1HG LYS 90 -2.115 -11.569 -13.599 701 HD2 LYS 90 2HD LYS 90 -2.868 -12.931 -11.681 702 HD3 LYS 90 1HD LYS 90 -1.106 -12.947 -11.793 703 HE2 LYS 90 2HE LYS 90 -1.083 -11.112 -10.027 704 HE3 LYS 90 1HE LYS 90 -2.820 -11.365 -9.842 705 HZ1 LYS 90 1HZ LYS 90 -0.685 -13.371 -9.361 706 HZ2 LYS 90 2HZ LYS 90 -2.342 -13.666 -9.221 707 HZ3 LYS 90 3HZ LYS 90 -1.590 -12.568 -8.175 708 H ILE 91 H ILE 91 -1.303 -7.832 -11.428 709 HA ILE 91 HA ILE 91 -3.855 -6.736 -12.399 710 HB ILE 91 HB ILE 91 -2.976 -6.456 -9.506 711 HG12 ILE 91 2HG1 ILE 91 -4.034 -9.069 -10.662 712 HG13 ILE 91 1HG1 ILE 91 -2.415 -8.808 -10.031 713 HG21 ILE 91 1HG2 ILE 91 -5.120 -5.475 -10.250 714 HG22 ILE 91 2HG2 ILE 91 -5.382 -6.739 -9.049 715 HG23 ILE 91 3HG2 ILE 91 -5.682 -7.068 -10.759 716 HD11 ILE 91 1HD1 ILE 91 -4.961 -8.680 -8.424 717 HD12 ILE 91 2HD1 ILE 91 -3.326 -8.427 -7.806 718 HD13 ILE 91 3HD1 ILE 91 -3.792 -9.999 -8.450 719 H ALA 92 H ALA 92 -1.289 -5.667 -13.273 720 HA ALA 92 HA ALA 92 -0.271 -3.423 -12.045 721 HB1 ALA 92 1HB ALA 92 0.652 -4.399 -14.114 722 HB2 ALA 92 2HB ALA 92 0.409 -2.661 -14.294 723 HB3 ALA 92 3HB ALA 92 -0.730 -3.795 -15.031 724 H LYS 93 H LYS 93 -3.152 -3.706 -14.006 725 HA LYS 93 HA LYS 93 -4.134 -1.080 -13.086 726 HB2 LYS 93 2HB LYS 93 -5.442 -0.870 -15.187 727 HB3 LYS 93 1HB LYS 93 -3.709 -0.825 -15.444 728 HG2 LYS 93 2HG LYS 93 -5.458 -3.248 -15.996 729 HG3 LYS 93 1HG LYS 93 -4.993 -2.052 -17.206 730 HD2 LYS 93 2HD LYS 93 -2.576 -2.648 -16.741 731 HD3 LYS 93 1HD LYS 93 -3.154 -3.951 -15.697 732 HE2 LYS 93 2HE LYS 93 -2.651 -4.930 -17.821 733 HE3 LYS 93 1HE LYS 93 -4.409 -4.859 -17.707 734 HZ1 LYS 93 1HZ LYS 93 -2.684 -2.945 -19.198 735 HZ2 LYS 93 2HZ LYS 93 -4.368 -2.851 -19.079 736 HZ3 LYS 93 3HZ LYS 93 -3.650 -4.151 -19.882 737 HA PRO 94 HA PRO 94 -7.014 -4.275 -11.475 738 HB2 PRO 94 2HB PRO 94 -7.301 -2.655 -9.068 739 HB3 PRO 94 1HB PRO 94 -6.529 -4.236 -9.227 740 HG2 PRO 94 2HG PRO 94 -5.152 -1.929 -8.641 741 HG3 PRO 94 1HG PRO 94 -4.422 -3.349 -9.425 742 HD2 PRO 94 2HD PRO 94 -5.404 -0.794 -10.689 743 HD3 PRO 94 1HD PRO 94 -3.947 -1.748 -11.055 744 H SER 95 H SER 95 -9.231 -4.212 -11.636 745 HA SER 95 HA SER 95 -10.139 -2.200 -13.408 746 HB2 SER 95 2HB SER 95 -10.747 -4.545 -13.727 747 HB3 SER 95 1HB SER 95 -11.593 -4.580 -12.181 748 HG SER 95 HG SER 95 -13.149 -3.297 -12.982 749 H GLU 96 H GLU 96 -10.728 -2.766 -10.055 750 HA GLU 96 HA GLU 96 -12.833 -0.711 -9.878 751 HB2 GLU 96 2HB GLU 96 -13.312 -1.599 -7.654 752 HB3 GLU 96 1HB GLU 96 -13.307 -2.912 -8.818 753 HG2 GLU 96 2HG GLU 96 -11.003 -2.277 -6.926 754 HG3 GLU 96 1HG GLU 96 -12.258 -3.473 -6.603 755 H THR 97 H THR 97 -9.512 -0.878 -9.616 756 HA THR 97 HA THR 97 -9.287 0.786 -7.187 757 HB THR 97 HB THR 97 -7.135 -0.699 -8.725 758 HG1 THR 97 HG1 THR 97 -8.757 -2.065 -7.833 759 HG21 THR 97 1HG2 THR 97 -5.793 -0.516 -6.690 760 HG22 THR 97 2HG2 THR 97 -7.095 0.363 -5.889 761 HG23 THR 97 3HG2 THR 97 -6.251 1.099 -7.252 762 H LEU 98 H LEU 98 -7.821 0.583 -10.455 763 HA LEU 98 HA LEU 98 -7.098 3.451 -10.302 764 HB2 LEU 98 2HB LEU 98 -5.165 1.923 -9.682 765 HB3 LEU 98 1HB LEU 98 -5.247 1.247 -11.299 766 HG LEU 98 HG LEU 98 -4.789 3.587 -12.212 767 HD11 LEU 98 1HD1 LEU 98 -4.174 4.238 -9.318 768 HD12 LEU 98 2HD1 LEU 98 -5.488 4.909 -10.287 769 HD13 LEU 98 3HD1 LEU 98 -3.816 5.267 -10.710 770 HD21 LEU 98 1HD2 LEU 98 -2.632 2.402 -10.442 771 HD22 LEU 98 2HD2 LEU 98 -2.378 3.526 -11.780 772 HD23 LEU 98 3HD2 LEU 98 -3.011 1.913 -12.097 Start of MODEL 17 1 H1 ALA 1 1H ALA 1 9.572 -20.777 10.466 2 H2 ALA 1 2H ALA 1 10.653 -20.788 11.757 3 H3 ALA 1 3H ALA 1 10.004 -22.241 11.193 4 HA ALA 1 HA ALA 1 12.265 -21.987 10.454 5 HB1 ALA 1 1HB ALA 1 10.248 -21.685 8.204 6 HB2 ALA 1 2HB ALA 1 10.658 -23.194 9.022 7 HB3 ALA 1 3HB ALA 1 11.873 -22.362 8.050 8 H GLU 2 H GLU 2 13.622 -20.904 8.707 9 HA GLU 2 HA GLU 2 13.763 -18.063 9.032 10 HB2 GLU 2 2HB GLU 2 15.782 -19.491 8.665 11 HB3 GLU 2 1HB GLU 2 15.215 -19.877 7.043 12 HG2 GLU 2 2HG GLU 2 15.376 -17.453 6.453 13 HG3 GLU 2 1HG GLU 2 16.041 -17.130 8.055 14 H GLN 3 H GLN 3 11.809 -17.250 8.329 15 HA GLN 3 HA GLN 3 10.798 -17.805 5.648 16 HB2 GLN 3 2HB GLN 3 9.239 -17.693 7.597 17 HB3 GLN 3 1HB GLN 3 9.660 -16.002 7.831 18 HG2 GLN 3 2HG GLN 3 7.491 -16.263 6.679 19 HG3 GLN 3 1HG GLN 3 8.669 -15.415 5.676 20 HE21 GLN 3 1HE2 GLN 3 7.618 -15.925 3.756 21 HE22 GLN 3 2HE2 GLN 3 7.570 -17.517 3.094 22 H SER 4 H SER 4 10.613 -16.281 4.025 23 HA SER 4 HA SER 4 12.536 -14.269 3.688 24 HB2 SER 4 2HB SER 4 11.095 -13.623 1.715 25 HB3 SER 4 1HB SER 4 11.470 -15.342 1.786 26 HG SER 4 HG SER 4 9.033 -14.065 2.505 27 H ASP 5 H ASP 5 9.240 -14.208 4.853 28 HA ASP 5 HA ASP 5 8.838 -11.398 4.926 29 HB2 ASP 5 2HB ASP 5 7.355 -13.660 6.325 30 HB3 ASP 5 1HB ASP 5 6.810 -11.981 6.277 31 H LYS 6 H LYS 6 10.431 -13.586 7.084 32 HA LYS 6 HA LYS 6 10.277 -12.162 9.520 33 HB2 LYS 6 2HB LYS 6 11.151 -14.507 9.297 34 HB3 LYS 6 1HB LYS 6 12.588 -13.884 8.496 35 HG2 LYS 6 2HG LYS 6 13.135 -14.382 10.796 36 HG3 LYS 6 1HG LYS 6 13.155 -12.628 10.595 37 HD2 LYS 6 2HD LYS 6 10.925 -12.473 11.643 38 HD3 LYS 6 1HD LYS 6 10.861 -14.232 11.800 39 HE2 LYS 6 2HE LYS 6 12.863 -12.395 13.166 40 HE3 LYS 6 1HE LYS 6 11.475 -13.166 13.932 41 HZ1 LYS 6 1HZ LYS 6 13.468 -14.385 14.416 42 HZ2 LYS 6 2HZ LYS 6 13.839 -14.540 12.777 43 HZ3 LYS 6 3HZ LYS 6 12.486 -15.331 13.414 44 H ASP 7 H ASP 7 12.285 -11.777 6.654 45 HA ASP 7 HA ASP 7 13.704 -9.438 7.721 46 HB2 ASP 7 2HB ASP 7 14.936 -11.088 6.294 47 HB3 ASP 7 1HB ASP 7 13.837 -10.755 4.960 48 H VAL 8 H VAL 8 11.895 -10.075 4.685 49 HA VAL 8 HA VAL 8 10.520 -7.462 4.908 50 HB VAL 8 HB VAL 8 12.404 -7.119 3.385 51 HG11 VAL 8 1HG1 VAL 8 12.846 -9.410 2.654 52 HG12 VAL 8 2HG1 VAL 8 12.694 -8.335 1.263 53 HG13 VAL 8 3HG1 VAL 8 11.364 -9.414 1.692 54 HG21 VAL 8 1HG2 VAL 8 11.216 -6.293 1.393 55 HG22 VAL 8 2HG2 VAL 8 10.314 -5.932 2.866 56 HG23 VAL 8 3HG2 VAL 8 9.800 -7.258 1.820 57 H LYS 9 H LYS 9 8.342 -7.580 4.447 58 HA LYS 9 HA LYS 9 7.251 -10.258 4.209 59 HB2 LYS 9 2HB LYS 9 5.905 -7.588 4.727 60 HB3 LYS 9 1HB LYS 9 5.039 -9.122 4.641 61 HG2 LYS 9 2HG LYS 9 6.523 -9.949 6.539 62 HG3 LYS 9 1HG LYS 9 7.109 -8.290 6.699 63 HD2 LYS 9 2HD LYS 9 4.206 -9.177 6.965 64 HD3 LYS 9 1HD LYS 9 5.283 -8.784 8.306 65 HE2 LYS 9 2HE LYS 9 5.399 -6.461 7.605 66 HE3 LYS 9 1HE LYS 9 4.501 -6.815 6.127 67 HZ1 LYS 9 1HZ LYS 9 3.101 -5.811 7.837 68 HZ2 LYS 9 2HZ LYS 9 3.431 -7.098 8.879 69 HZ3 LYS 9 3HZ LYS 9 2.580 -7.368 7.447 70 H TYR 10 H TYR 10 6.533 -11.155 2.459 71 HA TYR 10 HA TYR 10 6.365 -9.742 -0.081 72 HB2 TYR 10 2HB TYR 10 6.370 -12.665 0.762 73 HB3 TYR 10 1HB TYR 10 5.960 -12.194 -0.879 74 HD1 TYR 10 HD1 TYR 10 8.684 -11.447 1.632 75 HD2 TYR 10 HD2 TYR 10 7.676 -12.296 -2.434 76 HE1 TYR 10 HE1 TYR 10 11.066 -11.425 1.030 77 HE2 TYR 10 HE2 TYR 10 10.055 -12.265 -3.036 78 HH TYR 10 HH TYR 10 12.169 -11.100 -2.018 79 H TYR 11 H TYR 11 4.490 -8.557 0.049 80 HA TYR 11 HA TYR 11 1.881 -9.675 0.629 81 HB2 TYR 11 2HB TYR 11 2.976 -6.949 -0.125 82 HB3 TYR 11 1HB TYR 11 1.259 -7.239 -0.327 83 HD1 TYR 11 HD1 TYR 11 3.924 -7.690 2.304 84 HD2 TYR 11 HD2 TYR 11 -0.135 -6.665 1.439 85 HE1 TYR 11 HE1 TYR 11 3.556 -7.153 4.670 86 HE2 TYR 11 HE2 TYR 11 -0.503 -6.131 3.802 87 HH TYR 11 HH TYR 11 0.440 -6.594 5.986 88 H THR 12 H THR 12 0.189 -9.938 -0.850 89 HA THR 12 HA THR 12 0.845 -9.845 -3.741 90 HB THR 12 HB THR 12 -1.286 -11.044 -4.111 91 HG1 THR 12 HG1 THR 12 -2.653 -11.546 -2.509 92 HG21 THR 12 1HG2 THR 12 0.702 -12.428 -3.716 93 HG22 THR 12 2HG2 THR 12 -0.750 -13.211 -3.087 94 HG23 THR 12 3HG2 THR 12 0.376 -12.418 -1.980 95 H LEU 13 H LEU 13 -0.366 -8.502 -5.101 96 HA LEU 13 HA LEU 13 -1.490 -6.119 -4.084 97 HB2 LEU 13 2HB LEU 13 -0.354 -6.491 -6.365 98 HB3 LEU 13 1HB LEU 13 -1.876 -7.172 -6.916 99 HG LEU 13 HG LEU 13 -3.013 -5.021 -6.623 100 HD11 LEU 13 1HD1 LEU 13 -0.400 -3.981 -5.469 101 HD12 LEU 13 2HD1 LEU 13 -1.913 -4.229 -4.591 102 HD13 LEU 13 3HD1 LEU 13 -1.821 -3.003 -5.850 103 HD21 LEU 13 1HD2 LEU 13 -1.805 -3.638 -8.260 104 HD22 LEU 13 2HD2 LEU 13 -1.788 -5.332 -8.745 105 HD23 LEU 13 3HD2 LEU 13 -0.347 -4.607 -8.027 106 H GLU 14 H GLU 14 -2.748 -9.224 -4.858 107 HA GLU 14 HA GLU 14 -5.548 -8.804 -4.794 108 HB2 GLU 14 2HB GLU 14 -4.545 -10.860 -5.622 109 HB3 GLU 14 1HB GLU 14 -3.774 -11.179 -4.072 110 HG2 GLU 14 2HG GLU 14 -5.969 -11.583 -3.048 111 HG3 GLU 14 1HG GLU 14 -6.768 -11.212 -4.577 112 H GLU 15 H GLU 15 -3.131 -9.374 -2.237 113 HA GLU 15 HA GLU 15 -4.873 -9.692 -0.021 114 HB2 GLU 15 2HB GLU 15 -2.361 -10.260 -0.156 115 HB3 GLU 15 1HB GLU 15 -2.046 -8.549 0.086 116 HG2 GLU 15 2HG GLU 15 -1.793 -9.663 2.200 117 HG3 GLU 15 1HG GLU 15 -3.261 -8.688 2.273 118 H ILE 16 H ILE 16 -3.699 -6.929 -1.724 119 HA ILE 16 HA ILE 16 -4.583 -4.980 0.272 120 HB ILE 16 HB ILE 16 -3.319 -4.535 -2.471 121 HG12 ILE 16 2HG1 ILE 16 -1.927 -4.608 0.254 122 HG13 ILE 16 1HG1 ILE 16 -1.838 -5.900 -0.939 123 HG21 ILE 16 1HG2 ILE 16 -2.772 -2.300 -1.599 124 HG22 ILE 16 2HG2 ILE 16 -3.577 -2.683 -0.077 125 HG23 ILE 16 3HG2 ILE 16 -4.514 -2.578 -1.570 126 HD11 ILE 16 1HD1 ILE 16 -0.807 -3.087 -1.269 127 HD12 ILE 16 2HD1 ILE 16 -0.769 -4.343 -2.512 128 HD13 ILE 16 3HD1 ILE 16 0.142 -4.553 -1.018 129 H GLN 17 H GLN 17 -5.489 -6.295 -2.879 130 HA GLN 17 HA GLN 17 -7.318 -4.307 -3.729 131 HB2 GLN 17 2HB GLN 17 -6.307 -5.877 -5.306 132 HB3 GLN 17 1HB GLN 17 -7.095 -7.241 -4.522 133 HG2 GLN 17 2HG GLN 17 -9.289 -6.427 -5.257 134 HG3 GLN 17 1HG GLN 17 -8.538 -4.989 -5.952 135 HE21 GLN 17 1HE2 GLN 17 -7.569 -5.129 -7.946 136 HE22 GLN 17 2HE2 GLN 17 -7.639 -6.536 -8.944 137 H LYS 18 H LYS 18 -7.636 -6.876 -1.442 138 HA LYS 18 HA LYS 18 -10.544 -6.904 -1.332 139 HB2 LYS 18 2HB LYS 18 -10.221 -8.424 0.576 140 HB3 LYS 18 1HB LYS 18 -9.206 -8.909 -0.778 141 HG2 LYS 18 2HG LYS 18 -7.249 -7.820 0.315 142 HG3 LYS 18 1HG LYS 18 -8.278 -7.394 1.686 143 HD2 LYS 18 2HD LYS 18 -6.978 -9.380 2.237 144 HD3 LYS 18 1HD LYS 18 -8.682 -9.817 2.114 145 HE2 LYS 18 2HE LYS 18 -8.311 -10.792 -0.095 146 HE3 LYS 18 1HE LYS 18 -6.633 -10.237 -0.095 147 HZ1 LYS 18 1HZ LYS 18 -6.158 -11.696 1.745 148 HZ2 LYS 18 2HZ LYS 18 -6.846 -12.590 0.482 149 HZ3 LYS 18 3HZ LYS 18 -7.773 -12.188 1.839 150 H HIS 19 H HIS 19 -9.483 -4.288 -1.077 151 HA HIS 19 HA HIS 19 -9.362 -3.434 1.676 152 HB2 HIS 19 2HB HIS 19 -9.233 -1.107 0.514 153 HB3 HIS 19 1HB HIS 19 -7.902 -2.228 0.280 154 HD1 HIS 19 HD1 HIS 19 -7.097 -2.218 -2.056 155 HD2 HIS 19 HD2 HIS 19 -11.177 -1.462 -1.887 156 HE1 HIS 19 HE1 HIS 19 -7.825 -1.858 -4.412 157 HE2 HIS 19 HE2 HIS 19 -10.256 -1.298 -4.285 158 H LYS 20 H LYS 20 -11.486 -4.273 2.231 159 HA LYS 20 HA LYS 20 -13.759 -2.521 1.467 160 HB2 LYS 20 2HB LYS 20 -13.655 -5.447 2.300 161 HB3 LYS 20 1HB LYS 20 -15.139 -4.517 2.448 162 HG2 LYS 20 2HG LYS 20 -15.240 -5.766 0.396 163 HG3 LYS 20 1HG LYS 20 -15.066 -4.058 -0.012 164 HD2 LYS 20 2HD LYS 20 -12.615 -4.456 -0.389 165 HD3 LYS 20 1HD LYS 20 -12.877 -6.173 -0.083 166 HE2 LYS 20 2HE LYS 20 -14.096 -4.543 -2.335 167 HE3 LYS 20 1HE LYS 20 -12.791 -5.718 -2.487 168 HZ1 LYS 20 1HZ LYS 20 -14.338 -7.442 -1.738 169 HZ2 LYS 20 2HZ LYS 20 -14.868 -6.687 -3.155 170 HZ3 LYS 20 3HZ LYS 20 -15.583 -6.304 -1.674 171 H ASP 21 H ASP 21 -11.517 -2.566 3.716 172 HA ASP 21 HA ASP 21 -13.068 -1.095 5.605 173 HB2 ASP 21 2HB ASP 21 -13.498 -3.504 6.324 174 HB3 ASP 21 1HB ASP 21 -11.779 -3.652 6.659 175 H SER 22 H SER 22 -11.646 -0.226 7.360 176 HA SER 22 HA SER 22 -9.484 1.127 6.277 177 HB2 SER 22 2HB SER 22 -9.955 0.641 9.248 178 HB3 SER 22 1HB SER 22 -9.157 2.031 8.502 179 HG SER 22 HG SER 22 -11.039 2.910 8.282 180 H LYS 23 H LYS 23 -9.551 -1.865 8.193 181 HA LYS 23 HA LYS 23 -6.809 -1.782 8.984 182 HB2 LYS 23 2HB LYS 23 -7.188 -3.721 10.222 183 HB3 LYS 23 1HB LYS 23 -8.788 -3.016 10.172 184 HG2 LYS 23 2HG LYS 23 -7.810 -5.346 8.491 185 HG3 LYS 23 1HG LYS 23 -8.852 -5.452 9.912 186 HD2 LYS 23 2HD LYS 23 -10.564 -4.074 8.663 187 HD3 LYS 23 1HD LYS 23 -9.527 -4.175 7.237 188 HE2 LYS 23 2HE LYS 23 -11.287 -5.841 7.086 189 HE3 LYS 23 1HE LYS 23 -9.738 -6.658 7.303 190 HZ1 LYS 23 1HZ LYS 23 -11.506 -7.602 8.682 191 HZ2 LYS 23 2HZ LYS 23 -11.700 -6.120 9.471 192 HZ3 LYS 23 3HZ LYS 23 -10.253 -6.979 9.630 193 H SER 24 H SER 24 -8.426 -3.006 6.180 194 HA SER 24 HA SER 24 -5.908 -4.213 5.189 195 HB2 SER 24 2HB SER 24 -8.767 -4.632 4.208 196 HB3 SER 24 1HB SER 24 -7.329 -5.423 3.557 197 HG SER 24 HG SER 24 -7.081 -6.109 5.916 198 H THR 25 H THR 25 -5.165 -1.988 4.890 199 HA THR 25 HA THR 25 -5.843 -0.971 2.219 200 HB THR 25 HB THR 25 -5.681 0.869 4.665 201 HG1 THR 25 HG1 THR 25 -7.680 -0.191 4.628 202 HG21 THR 25 1HG2 THR 25 -6.349 1.521 1.763 203 HG22 THR 25 2HG2 THR 25 -4.827 1.909 2.565 204 HG23 THR 25 3HG2 THR 25 -6.325 2.662 3.112 205 H TRP 26 H TRP 26 -3.971 -0.888 1.147 206 HA TRP 26 HA TRP 26 -1.472 0.080 2.339 207 HB2 TRP 26 2HB TRP 26 -1.704 -2.625 0.920 208 HB3 TRP 26 1HB TRP 26 -0.189 -1.849 1.359 209 HD1 TRP 26 HD TRP 26 0.345 -1.713 4.086 210 HE1 TRP 26 HE1 TRP 26 -0.370 -3.287 5.990 211 HE3 TRP 26 HE3 TRP 26 -3.496 -4.148 1.745 212 HZ2 TRP 26 HZ2 TRP 26 -2.286 -5.299 6.442 213 HZ3 TRP 26 HZ3 TRP 26 -4.716 -5.896 2.977 214 HH2 TRP 26 HH TRP 26 -4.123 -6.460 5.282 215 H VAL 27 H VAL 27 0.152 0.518 0.518 216 HA VAL 27 HA VAL 27 -1.067 0.772 -2.170 217 HB VAL 27 HB VAL 27 -0.004 3.048 -2.436 218 HG11 VAL 27 1HG1 VAL 27 -1.772 4.323 -1.273 219 HG12 VAL 27 2HG1 VAL 27 -2.178 2.896 -0.315 220 HG13 VAL 27 3HG1 VAL 27 -2.416 2.883 -2.064 221 HG21 VAL 27 1HG2 VAL 27 1.642 2.933 -0.615 222 HG22 VAL 27 2HG2 VAL 27 0.347 2.932 0.584 223 HG23 VAL 27 3HG2 VAL 27 0.613 4.355 -0.426 224 H ILE 28 H ILE 28 0.460 0.820 -3.914 225 HA ILE 28 HA ILE 28 3.233 0.040 -3.214 226 HB ILE 28 HB ILE 28 3.260 -1.673 -4.949 227 HG12 ILE 28 2HG1 ILE 28 0.727 -2.338 -5.820 228 HG13 ILE 28 1HG1 ILE 28 0.544 -0.595 -5.734 229 HG21 ILE 28 1HG2 ILE 28 0.900 -1.969 -3.064 230 HG22 ILE 28 2HG2 ILE 28 2.585 -2.379 -2.733 231 HG23 ILE 28 3HG2 ILE 28 1.672 -3.298 -3.923 232 HD11 ILE 28 1HD1 ILE 28 2.612 -2.073 -7.361 233 HD12 ILE 28 2HD1 ILE 28 2.378 -0.323 -7.334 234 HD13 ILE 28 3HD1 ILE 28 1.114 -1.376 -7.973 235 H LEU 29 H LEU 29 4.770 1.161 -4.276 236 HA LEU 29 HA LEU 29 3.974 3.165 -6.250 237 HB2 LEU 29 2HB LEU 29 6.052 4.183 -5.974 238 HB3 LEU 29 1HB LEU 29 5.708 3.549 -4.379 239 HG LEU 29 HG LEU 29 7.667 2.334 -6.380 240 HD11 LEU 29 1HD1 LEU 29 9.423 3.110 -4.860 241 HD12 LEU 29 2HD1 LEU 29 8.215 3.859 -3.813 242 HD13 LEU 29 3HD1 LEU 29 8.463 4.467 -5.451 243 HD21 LEU 29 1HD2 LEU 29 8.380 0.844 -4.566 244 HD22 LEU 29 2HD2 LEU 29 6.678 0.588 -4.945 245 HD23 LEU 29 3HD2 LEU 29 7.132 1.504 -3.508 246 H HIS 30 H HIS 30 5.412 0.034 -6.160 247 HA HIS 30 HA HIS 30 4.847 -0.609 -8.804 248 HB2 HIS 30 2HB HIS 30 6.843 0.828 -9.355 249 HB3 HIS 30 1HB HIS 30 7.859 -0.207 -8.354 250 HD1 HIS 30 HD1 HIS 30 9.008 -2.043 -9.606 251 HD2 HIS 30 HD2 HIS 30 5.613 -0.725 -11.602 252 HE1 HIS 30 HE1 HIS 30 8.972 -3.293 -11.772 253 HE2 HIS 30 HE2 HIS 30 7.029 -2.326 -13.039 254 H HIS 31 H HIS 31 7.696 -1.437 -6.798 255 HA HIS 31 HA HIS 31 6.789 -4.262 -6.697 256 HB2 HIS 31 2HB HIS 31 8.888 -4.038 -7.885 257 HB3 HIS 31 1HB HIS 31 9.580 -3.027 -6.625 258 HD1 HIS 31 HD1 HIS 31 11.295 -4.287 -5.361 259 HD2 HIS 31 HD2 HIS 31 8.175 -6.767 -6.540 260 HE1 HIS 31 HE1 HIS 31 11.826 -6.549 -4.403 261 HE2 HIS 31 HE2 HIS 31 9.801 -7.929 -4.918 262 H LYS 32 H LYS 32 7.346 -1.506 -4.650 263 HA LYS 32 HA LYS 32 7.557 -3.267 -2.254 264 HB2 LYS 32 2HB LYS 32 8.273 -0.314 -2.484 265 HB3 LYS 32 1HB LYS 32 8.504 -1.336 -1.069 266 HG2 LYS 32 2HG LYS 32 9.915 -1.636 -3.741 267 HG3 LYS 32 1HG LYS 32 10.622 -0.980 -2.265 268 HD2 LYS 32 2HD LYS 32 9.591 -3.829 -2.557 269 HD3 LYS 32 1HD LYS 32 11.279 -3.365 -2.760 270 HE2 LYS 32 2HE LYS 32 9.678 -2.978 -0.207 271 HE3 LYS 32 1HE LYS 32 10.793 -4.309 -0.506 272 HZ1 LYS 32 1HZ LYS 32 11.886 -2.629 0.752 273 HZ2 LYS 32 2HZ LYS 32 11.487 -1.429 -0.368 274 HZ3 LYS 32 3HZ LYS 32 12.564 -2.655 -0.788 275 H VAL 33 H VAL 33 6.007 -3.213 -0.721 276 HA VAL 33 HA VAL 33 3.605 -1.572 -1.172 277 HB VAL 33 HB VAL 33 3.207 -3.982 -1.049 278 HG11 VAL 33 1HG1 VAL 33 5.129 -4.683 0.291 279 HG12 VAL 33 2HG1 VAL 33 3.636 -5.315 0.978 280 HG13 VAL 33 3HG1 VAL 33 4.435 -3.932 1.728 281 HG21 VAL 33 1HG2 VAL 33 1.447 -2.518 -0.145 282 HG22 VAL 33 2HG2 VAL 33 2.162 -2.625 1.463 283 HG23 VAL 33 3HG2 VAL 33 1.476 -4.066 0.706 284 H TYR 34 H TYR 34 2.684 -0.374 0.495 285 HA TYR 34 HA TYR 34 4.363 0.351 2.814 286 HB2 TYR 34 2HB TYR 34 2.688 2.247 1.090 287 HB3 TYR 34 1HB TYR 34 3.650 2.699 2.497 288 HD1 TYR 34 HD1 TYR 34 3.770 1.759 -1.067 289 HD2 TYR 34 HD2 TYR 34 6.100 2.804 2.362 290 HE1 TYR 34 HE1 TYR 34 5.704 2.162 -2.509 291 HE2 TYR 34 HE2 TYR 34 8.042 3.198 0.912 292 HH TYR 34 HH TYR 34 8.842 2.575 -1.268 293 H ASP 35 H ASP 35 3.140 1.211 4.570 294 HA ASP 35 HA ASP 35 0.679 -0.254 5.063 295 HB2 ASP 35 2HB ASP 35 2.570 -0.367 6.693 296 HB3 ASP 35 1HB ASP 35 2.510 1.380 6.896 297 H LEU 36 H LEU 36 -0.994 0.881 4.133 298 HA LEU 36 HA LEU 36 -1.173 3.788 4.578 299 HB2 LEU 36 2HB LEU 36 -1.596 2.304 2.278 300 HB3 LEU 36 1HB LEU 36 -3.237 2.508 2.851 301 HG LEU 36 HG LEU 36 -2.587 4.246 1.196 302 HD11 LEU 36 1HD1 LEU 36 -3.352 6.222 2.374 303 HD12 LEU 36 2HD1 LEU 36 -3.030 5.455 3.933 304 HD13 LEU 36 3HD1 LEU 36 -4.283 4.811 2.871 305 HD21 LEU 36 1HD2 LEU 36 -0.558 5.203 3.247 306 HD22 LEU 36 2HD2 LEU 36 -0.923 5.959 1.693 307 HD23 LEU 36 3HD2 LEU 36 -0.174 4.369 1.742 308 H THR 37 H THR 37 -2.283 0.914 5.901 309 HA THR 37 HA THR 37 -4.943 1.547 6.625 310 HB THR 37 HB THR 37 -4.233 -0.776 6.597 311 HG1 THR 37 HG1 THR 37 -5.734 0.172 8.366 312 HG21 THR 37 1HG2 THR 37 -1.886 -0.526 7.287 313 HG22 THR 37 2HG2 THR 37 -2.717 -1.723 8.280 314 HG23 THR 37 3HG2 THR 37 -2.411 -0.112 8.928 315 H LYS 38 H LYS 38 -1.835 2.142 8.279 316 HA LYS 38 HA LYS 38 -3.259 3.483 10.506 317 HB2 LYS 38 2HB LYS 38 -1.228 1.726 10.662 318 HB3 LYS 38 1HB LYS 38 -0.255 3.165 10.444 319 HG2 LYS 38 2HG LYS 38 -2.312 2.867 12.664 320 HG3 LYS 38 1HG LYS 38 -0.629 2.380 12.838 321 HD2 LYS 38 2HD LYS 38 -1.630 5.203 12.296 322 HD3 LYS 38 1HD LYS 38 -0.994 4.592 13.826 323 HE2 LYS 38 2HE LYS 38 1.213 4.257 12.827 324 HE3 LYS 38 1HE LYS 38 0.593 4.728 11.241 325 HZ1 LYS 38 1HZ LYS 38 0.142 6.937 12.135 326 HZ2 LYS 38 2HZ LYS 38 1.775 6.538 12.248 327 HZ3 LYS 38 3HZ LYS 38 0.796 6.484 13.624 328 H PHE 39 H PHE 39 -1.496 4.093 7.611 329 HA PHE 39 HA PHE 39 -0.642 6.767 8.011 330 HB2 PHE 39 2HB PHE 39 0.048 5.166 6.157 331 HB3 PHE 39 1HB PHE 39 -1.498 5.463 5.390 332 HD1 PHE 39 HD1 PHE 39 -1.957 7.715 4.325 333 HD2 PHE 39 HD2 PHE 39 1.874 6.753 5.983 334 HE1 PHE 39 HE1 PHE 39 -0.922 9.533 3.023 335 HE2 PHE 39 HE2 PHE 39 2.885 8.578 4.683 336 HZ PHE 39 HZ PHE 39 1.494 9.961 3.196 337 H LEU 40 H LEU 40 -3.731 5.342 6.999 338 HA LEU 40 HA LEU 40 -5.045 7.812 6.402 339 HB2 LEU 40 2HB LEU 40 -7.108 6.529 6.304 340 HB3 LEU 40 1HB LEU 40 -5.821 5.720 5.440 341 HG LEU 40 HG LEU 40 -5.636 4.321 7.752 342 HD11 LEU 40 1HD1 LEU 40 -7.832 3.849 8.728 343 HD12 LEU 40 2HD1 LEU 40 -8.567 5.092 7.711 344 HD13 LEU 40 3HD1 LEU 40 -7.387 5.542 8.944 345 HD21 LEU 40 1HD2 LEU 40 -7.055 2.563 6.774 346 HD22 LEU 40 2HD2 LEU 40 -5.987 3.285 5.573 347 HD23 LEU 40 3HD2 LEU 40 -7.695 3.725 5.605 348 H GLU 41 H GLU 41 -4.464 6.001 9.326 349 HA GLU 41 HA GLU 41 -6.390 7.420 10.962 350 HB2 GLU 41 2HB GLU 41 -4.060 5.613 11.775 351 HB3 GLU 41 1HB GLU 41 -5.317 6.206 12.860 352 HG2 GLU 41 2HG GLU 41 -7.027 4.956 11.578 353 HG3 GLU 41 1HG GLU 41 -5.776 4.371 10.481 354 H GLU 42 H GLU 42 -3.189 8.015 9.835 355 HA GLU 42 HA GLU 42 -2.076 9.353 12.066 356 HB2 GLU 42 2HB GLU 42 -0.787 8.324 10.171 357 HB3 GLU 42 1HB GLU 42 -1.329 9.628 9.128 358 HG2 GLU 42 2HG GLU 42 0.747 10.442 9.693 359 HG3 GLU 42 1HG GLU 42 -0.195 11.160 10.995 360 H TRP 43 H TRP 43 -3.075 10.864 8.904 361 HA TRP 43 HA TRP 43 -3.828 13.310 10.405 362 HB2 TRP 43 2HB TRP 43 -3.076 13.035 7.473 363 HB3 TRP 43 1HB TRP 43 -3.797 14.491 8.136 364 HD1 TRP 43 HD TRP 43 -0.948 12.518 9.853 365 HE1 TRP 43 HE1 TRP 43 1.118 14.022 9.960 366 HE3 TRP 43 HE3 TRP 43 -2.678 16.460 7.122 367 HZ2 TRP 43 HZ2 TRP 43 1.932 16.550 9.002 368 HZ3 TRP 43 HZ3 TRP 43 -1.190 18.382 6.740 369 HH2 TRP 43 HH TRP 43 1.076 18.429 7.662 370 HA PRO 44 HA PRO 44 -7.315 13.394 7.203 371 HB2 PRO 44 2HB PRO 44 -8.047 11.241 5.643 372 HB3 PRO 44 1HB PRO 44 -6.783 12.394 5.178 373 HG2 PRO 44 2HG PRO 44 -6.497 9.668 6.381 374 HG3 PRO 44 1HG PRO 44 -5.554 10.430 5.079 375 HD2 PRO 44 2HD PRO 44 -4.649 10.288 7.652 376 HD3 PRO 44 1HD PRO 44 -4.211 11.615 6.556 377 H GLY 45 H GLY 45 -7.192 10.186 8.732 378 HA2 GLY 45 2HA GLY 45 -8.602 9.178 10.225 379 HA3 GLY 45 1HA GLY 45 -9.608 10.613 10.233 380 H GLY 46 H GLY 46 -9.623 10.123 7.082 381 HA2 GLY 46 2HA GLY 46 -12.060 8.443 7.162 382 HA3 GLY 46 1HA GLY 46 -11.779 9.795 6.072 383 H GLU 47 H GLU 47 -11.153 6.468 6.715 384 HA GLU 47 HA GLU 47 -9.090 5.891 4.939 385 HB2 GLU 47 2HB GLU 47 -9.742 3.572 5.085 386 HB3 GLU 47 1HB GLU 47 -9.964 4.306 6.664 387 HG2 GLU 47 2HG GLU 47 -12.159 3.668 4.674 388 HG3 GLU 47 1HG GLU 47 -11.768 2.746 6.122 389 H GLU 48 H GLU 48 -12.529 6.341 4.290 390 HA GLU 48 HA GLU 48 -13.012 4.873 2.054 391 HB2 GLU 48 2HB GLU 48 -14.744 6.586 1.464 392 HB3 GLU 48 1HB GLU 48 -14.786 6.045 3.137 393 HG2 GLU 48 2HG GLU 48 -13.716 8.101 3.890 394 HG3 GLU 48 1HG GLU 48 -13.498 8.639 2.223 395 H VAL 49 H VAL 49 -11.336 8.005 2.070 396 HA VAL 49 HA VAL 49 -11.542 8.538 -0.709 397 HB VAL 49 HB VAL 49 -11.134 10.276 1.026 398 HG11 VAL 49 1HG1 VAL 49 -8.911 10.663 1.983 399 HG12 VAL 49 2HG1 VAL 49 -8.293 9.215 1.183 400 HG13 VAL 49 3HG1 VAL 49 -9.517 9.070 2.446 401 HG21 VAL 49 1HG2 VAL 49 -10.658 10.804 -1.313 402 HG22 VAL 49 2HG2 VAL 49 -9.008 10.209 -1.133 403 HG23 VAL 49 3HG2 VAL 49 -9.528 11.646 -0.248 404 H LEU 50 H LEU 50 -9.204 6.728 1.184 405 HA LEU 50 HA LEU 50 -7.356 6.449 -1.120 406 HB2 LEU 50 2HB LEU 50 -5.673 5.891 0.786 407 HB3 LEU 50 1HB LEU 50 -6.173 7.551 0.550 408 HG LEU 50 HG LEU 50 -7.905 7.100 2.458 409 HD11 LEU 50 1HD1 LEU 50 -5.979 4.844 3.046 410 HD12 LEU 50 2HD1 LEU 50 -7.661 4.674 2.543 411 HD13 LEU 50 3HD1 LEU 50 -7.282 5.414 4.093 412 HD21 LEU 50 1HD2 LEU 50 -6.293 7.743 4.190 413 HD22 LEU 50 2HD2 LEU 50 -5.995 8.633 2.699 414 HD23 LEU 50 3HD2 LEU 50 -4.949 7.284 3.142 415 H ARG 51 H ARG 51 -9.499 4.754 0.873 416 HA ARG 51 HA ARG 51 -8.191 2.198 0.986 417 HB2 ARG 51 2HB ARG 51 -9.962 3.062 2.632 418 HB3 ARG 51 1HB ARG 51 -11.158 2.803 1.369 419 HG2 ARG 51 2HG ARG 51 -10.138 0.312 1.405 420 HG3 ARG 51 1HG ARG 51 -9.667 0.793 3.038 421 HD2 ARG 51 2HD ARG 51 -11.789 -0.259 3.269 422 HD3 ARG 51 1HD ARG 51 -12.116 1.475 3.391 423 HE ARG 51 HE ARG 51 -12.353 0.485 0.706 424 HH11 ARG 51 1HH1 ARG 51 -14.120 0.759 3.737 425 HH12 ARG 51 2HH1 ARG 51 -15.673 0.660 2.968 426 HH21 ARG 51 1HH2 ARG 51 -14.381 0.311 -0.266 427 HH22 ARG 51 2HH2 ARG 51 -15.817 0.407 0.702 428 H GLU 52 H GLU 52 -10.738 3.711 -0.939 429 HA GLU 52 HA GLU 52 -11.749 1.543 -2.368 430 HB2 GLU 52 2HB GLU 52 -12.553 3.290 -3.997 431 HB3 GLU 52 1HB GLU 52 -12.897 3.673 -2.315 432 HG2 GLU 52 2HG GLU 52 -10.955 5.211 -2.264 433 HG3 GLU 52 1HG GLU 52 -10.628 4.841 -3.958 434 H GLN 53 H GLN 53 -8.803 3.296 -2.838 435 HA GLN 53 HA GLN 53 -8.134 1.775 -5.302 436 HB2 GLN 53 2HB GLN 53 -6.812 3.834 -5.959 437 HB3 GLN 53 1HB GLN 53 -8.558 4.063 -5.965 438 HG2 GLN 53 2HG GLN 53 -8.508 5.329 -3.945 439 HG3 GLN 53 1HG GLN 53 -6.846 4.862 -3.597 440 HE21 GLN 53 1HE2 GLN 53 -5.688 5.333 -6.120 441 HE22 GLN 53 2HE2 GLN 53 -5.698 7.042 -6.381 442 H ALA 54 H ALA 54 -7.599 1.072 -2.546 443 HA ALA 54 HA ALA 54 -4.876 1.661 -1.882 444 HB1 ALA 54 1HB ALA 54 -6.509 0.973 -0.159 445 HB2 ALA 54 2HB ALA 54 -5.115 -0.111 -0.186 446 HB3 ALA 54 3HB ALA 54 -6.641 -0.617 -0.916 447 H GLY 55 H GLY 55 -3.113 0.840 -2.853 448 HA2 GLY 55 2HA GLY 55 -1.739 -0.879 -3.726 449 HA3 GLY 55 1HA GLY 55 -3.163 -1.813 -4.143 450 H GLY 56 H GLY 56 -4.147 1.039 -5.208 451 HA2 GLY 56 2HA GLY 56 -3.764 0.555 -7.960 452 HA3 GLY 56 1HA GLY 56 -4.343 2.055 -7.252 453 H ASP 57 H ASP 57 -2.300 2.972 -5.820 454 HA ASP 57 HA ASP 57 0.272 2.793 -7.106 455 HB2 ASP 57 2HB ASP 57 -0.814 4.347 -8.681 456 HB3 ASP 57 1HB ASP 57 -1.393 5.350 -7.355 457 H ALA 58 H ALA 58 1.866 4.155 -5.929 458 HA ALA 58 HA ALA 58 1.003 5.254 -3.330 459 HB1 ALA 58 1HB ALA 58 2.273 3.178 -2.903 460 HB2 ALA 58 2HB ALA 58 3.136 4.606 -2.334 461 HB3 ALA 58 3HB ALA 58 3.632 3.815 -3.832 462 H THR 59 H THR 59 3.371 5.234 -5.975 463 HA THR 59 HA THR 59 5.266 7.022 -5.453 464 HB THR 59 HB THR 59 3.792 6.941 -8.126 465 HG1 THR 59 HG1 THR 59 4.397 4.936 -8.118 466 HG21 THR 59 1HG2 THR 59 6.018 7.418 -9.117 467 HG22 THR 59 2HG2 THR 59 6.706 7.577 -7.500 468 HG23 THR 59 3HG2 THR 59 5.493 8.730 -8.062 469 H GLU 60 H GLU 60 2.113 8.000 -6.727 470 HA GLU 60 HA GLU 60 2.558 10.830 -5.978 471 HB2 GLU 60 2HB GLU 60 2.336 10.376 -8.417 472 HB3 GLU 60 1HB GLU 60 0.768 9.622 -8.143 473 HG2 GLU 60 2HG GLU 60 -0.159 11.773 -7.416 474 HG3 GLU 60 1HG GLU 60 1.424 12.533 -7.585 475 H ASN 61 H ASN 61 0.634 7.955 -5.536 476 HA ASN 61 HA ASN 61 -1.882 9.150 -4.934 477 HB2 ASN 61 2HB ASN 61 -1.550 6.824 -5.805 478 HB3 ASN 61 1HB ASN 61 -0.922 6.354 -4.232 479 HD21 ASN 61 1HD2 ASN 61 -3.671 8.518 -4.833 480 HD22 ASN 61 2HD2 ASN 61 -4.859 7.480 -4.146 481 H PHE 62 H PHE 62 0.820 8.110 -2.866 482 HA PHE 62 HA PHE 62 -0.429 8.070 -0.383 483 HB2 PHE 62 2HB PHE 62 1.808 8.372 0.657 484 HB3 PHE 62 1HB PHE 62 1.853 7.192 -0.635 485 HD1 PHE 62 HD1 PHE 62 3.720 7.272 -2.047 486 HD2 PHE 62 HD2 PHE 62 2.518 10.910 -0.171 487 HE1 PHE 62 HE1 PHE 62 5.655 8.431 -3.024 488 HE2 PHE 62 HE2 PHE 62 4.444 12.057 -1.166 489 HZ PHE 62 HZ PHE 62 6.017 10.822 -2.589 490 H GLU 63 H GLU 63 0.575 10.765 -2.298 491 HA GLU 63 HA GLU 63 0.151 12.750 -0.173 492 HB2 GLU 63 2HB GLU 63 2.170 12.855 -1.681 493 HB3 GLU 63 1HB GLU 63 1.098 13.120 -3.054 494 HG2 GLU 63 2HG GLU 63 0.243 15.185 -1.862 495 HG3 GLU 63 1HG GLU 63 1.522 14.942 -0.671 496 H ASP 64 H ASP 64 -1.092 11.648 -3.285 497 HA ASP 64 HA ASP 64 -2.931 13.580 -3.994 498 HB2 ASP 64 2HB ASP 64 -2.300 11.641 -5.428 499 HB3 ASP 64 1HB ASP 64 -3.150 10.549 -4.345 500 H VAL 65 H VAL 65 -3.682 10.565 -2.281 501 HA VAL 65 HA VAL 65 -6.178 11.687 -1.173 502 HB VAL 65 HB VAL 65 -6.702 9.277 -0.638 503 HG11 VAL 65 1HG1 VAL 65 -7.514 10.360 -2.695 504 HG12 VAL 65 2HG1 VAL 65 -7.203 8.643 -2.938 505 HG13 VAL 65 3HG1 VAL 65 -6.053 9.840 -3.545 506 HG21 VAL 65 1HG2 VAL 65 -5.336 7.497 -1.713 507 HG22 VAL 65 2HG2 VAL 65 -4.405 8.383 -0.506 508 HG23 VAL 65 3HG2 VAL 65 -4.152 8.707 -2.222 509 H GLY 66 H GLY 66 -3.008 11.054 -0.175 510 HA2 GLY 66 2HA GLY 66 -3.601 10.227 2.558 511 HA3 GLY 66 1HA GLY 66 -2.022 10.537 1.866 512 H PHE 67 H PHE 67 -1.001 12.420 2.348 513 HA PHE 67 HA PHE 67 -2.508 14.488 3.875 514 HB2 PHE 67 2HB PHE 67 0.526 14.198 3.972 515 HB3 PHE 67 1HB PHE 67 -0.524 14.999 5.130 516 HD1 PHE 67 HD1 PHE 67 1.729 13.081 5.763 517 HD2 PHE 67 HD2 PHE 67 -2.457 12.401 5.226 518 HE1 PHE 67 HE1 PHE 67 1.847 11.071 7.175 519 HE2 PHE 67 HE2 PHE 67 -2.307 10.401 6.630 520 HZ PHE 67 HZ PHE 67 -0.159 9.738 7.600 521 H SER 68 H SER 68 -0.728 16.592 3.711 522 HA SER 68 HA SER 68 -0.706 17.548 1.002 523 HB2 SER 68 2HB SER 68 0.641 19.436 2.100 524 HB3 SER 68 1HB SER 68 -0.939 19.126 2.824 525 HG SER 68 HG SER 68 0.006 18.568 4.618 526 H THR 69 H THR 69 1.954 18.723 0.808 527 HA THR 69 HA THR 69 3.468 16.566 -0.263 528 HB THR 69 HB THR 69 5.347 18.252 -0.481 529 HG1 THR 69 HG1 THR 69 4.923 20.383 0.137 530 HG21 THR 69 1HG2 THR 69 4.219 19.668 -2.148 531 HG22 THR 69 2HG2 THR 69 2.645 19.206 -1.502 532 HG23 THR 69 3HG2 THR 69 3.664 17.995 -2.281 533 H ASP 70 H ASP 70 3.122 17.542 2.944 534 HA ASP 70 HA ASP 70 5.494 16.736 4.189 535 HB2 ASP 70 2HB ASP 70 3.592 17.929 5.293 536 HB3 ASP 70 1HB ASP 70 2.618 16.466 5.194 537 H ALA 71 H ALA 71 2.828 14.875 2.860 538 HA ALA 71 HA ALA 71 3.190 12.363 4.043 539 HB1 ALA 71 1HB ALA 71 1.868 11.490 2.167 540 HB2 ALA 71 2HB ALA 71 2.119 12.993 1.271 541 HB3 ALA 71 3HB ALA 71 1.187 13.000 2.766 542 H ARG 72 H ARG 72 5.182 13.933 1.713 543 HA ARG 72 HA ARG 72 6.144 11.765 0.209 544 HB2 ARG 72 2HB ARG 72 7.435 14.429 0.889 545 HB3 ARG 72 1HB ARG 72 8.103 13.288 -0.275 546 HG2 ARG 72 2HG ARG 72 6.020 13.486 -1.635 547 HG3 ARG 72 1HG ARG 72 5.412 14.689 -0.491 548 HD2 ARG 72 2HD ARG 72 6.371 15.789 -2.460 549 HD3 ARG 72 1HD ARG 72 7.331 16.156 -1.022 550 HE ARG 72 HE ARG 72 8.233 13.921 -2.678 551 HH11 ARG 72 1HH1 ARG 72 8.684 17.318 -1.863 552 HH12 ARG 72 2HH1 ARG 72 10.275 17.388 -2.548 553 HH21 ARG 72 1HH2 ARG 72 10.308 14.039 -3.581 554 HH22 ARG 72 2HH2 ARG 72 11.189 15.532 -3.522 555 H GLU 73 H GLU 73 7.311 13.109 3.304 556 HA GLU 73 HA GLU 73 9.539 11.216 3.440 557 HB2 GLU 73 2HB GLU 73 10.040 12.318 5.629 558 HB3 GLU 73 1HB GLU 73 9.975 13.442 4.276 559 HG2 GLU 73 2HG GLU 73 7.742 14.184 4.956 560 HG3 GLU 73 1HG GLU 73 7.738 13.013 6.274 561 H LEU 74 H LEU 74 6.283 11.517 4.705 562 HA LEU 74 HA LEU 74 6.485 9.606 6.812 563 HB2 LEU 74 2HB LEU 74 4.150 10.805 5.309 564 HB3 LEU 74 1HB LEU 74 3.873 9.427 6.359 565 HG LEU 74 HG LEU 74 3.355 11.509 7.531 566 HD11 LEU 74 1HD1 LEU 74 5.837 10.216 8.706 567 HD12 LEU 74 2HD1 LEU 74 4.177 9.633 8.875 568 HD13 LEU 74 3HD1 LEU 74 4.637 11.180 9.575 569 HD21 LEU 74 1HD2 LEU 74 5.055 13.183 8.093 570 HD22 LEU 74 2HD2 LEU 74 4.837 13.053 6.349 571 HD23 LEU 74 3HD2 LEU 74 6.247 12.319 7.116 572 H SER 75 H SER 75 5.282 9.292 3.459 573 HA SER 75 HA SER 75 4.498 6.640 3.462 574 HB2 SER 75 2HB SER 75 4.866 6.746 0.977 575 HB3 SER 75 1HB SER 75 3.968 8.119 1.622 576 HG SER 75 HG SER 75 5.537 9.412 1.060 577 H LYS 76 H LYS 76 7.720 7.973 3.117 578 HA LYS 76 HA LYS 76 9.156 5.768 2.165 579 HB2 LYS 76 2HB LYS 76 10.050 7.992 4.043 580 HB3 LYS 76 1HB LYS 76 11.145 6.887 3.221 581 HG2 LYS 76 2HG LYS 76 9.281 8.844 1.839 582 HG3 LYS 76 1HG LYS 76 10.999 9.111 2.131 583 HD2 LYS 76 2HD LYS 76 9.812 6.907 0.399 584 HD3 LYS 76 1HD LYS 76 10.565 8.387 -0.193 585 HE2 LYS 76 2HE LYS 76 11.948 6.165 1.351 586 HE3 LYS 76 1HE LYS 76 12.128 6.516 -0.367 587 HZ1 LYS 76 1HZ LYS 76 12.869 8.405 1.800 588 HZ2 LYS 76 2HZ LYS 76 13.183 8.574 0.145 589 HZ3 LYS 76 3HZ LYS 76 13.952 7.362 1.038 590 H LYS 77 H LYS 77 8.376 6.696 5.531 591 HA LYS 77 HA LYS 77 9.908 4.467 6.630 592 HB2 LYS 77 2HB LYS 77 9.364 5.387 8.833 593 HB3 LYS 77 1HB LYS 77 10.002 6.639 7.773 594 HG2 LYS 77 2HG LYS 77 7.761 7.535 7.406 595 HG3 LYS 77 1HG LYS 77 7.049 6.240 8.369 596 HD2 LYS 77 2HD LYS 77 8.977 8.347 9.421 597 HD3 LYS 77 1HD LYS 77 7.224 8.389 9.612 598 HE2 LYS 77 2HE LYS 77 7.299 6.312 10.942 599 HE3 LYS 77 1HE LYS 77 9.048 6.218 10.720 600 HZ1 LYS 77 1HZ LYS 77 7.735 8.541 12.010 601 HZ2 LYS 77 2HZ LYS 77 9.371 8.114 12.052 602 HZ3 LYS 77 3HZ LYS 77 8.234 7.182 12.883 603 H TYR 78 H TYR 78 6.709 4.946 5.567 604 HA TYR 78 HA TYR 78 5.520 2.878 7.249 605 HB2 TYR 78 2HB TYR 78 4.479 4.641 5.008 606 HB3 TYR 78 1HB TYR 78 3.574 3.203 5.468 607 HD1 TYR 78 HD1 TYR 78 2.198 3.187 7.434 608 HD2 TYR 78 HD2 TYR 78 4.846 6.462 6.788 609 HE1 TYR 78 HE1 TYR 78 1.096 4.431 9.235 610 HE2 TYR 78 HE2 TYR 78 3.747 7.716 8.588 611 HH TYR 78 HH TYR 78 1.712 7.778 9.796 612 H ILE 79 H ILE 79 7.790 2.485 5.029 613 HA ILE 79 HA ILE 79 6.779 0.605 3.174 614 HB ILE 79 HB ILE 79 8.922 1.678 2.775 615 HG12 ILE 79 2HG1 ILE 79 9.310 -1.325 3.169 616 HG13 ILE 79 1HG1 ILE 79 8.627 -0.546 1.746 617 HG21 ILE 79 1HG2 ILE 79 9.704 1.967 5.088 618 HG22 ILE 79 2HG2 ILE 79 10.962 1.250 4.081 619 HG23 ILE 79 3HG2 ILE 79 10.047 0.239 5.202 620 HD11 ILE 79 1HD1 ILE 79 11.470 -0.246 2.717 621 HD12 ILE 79 2HD1 ILE 79 10.773 0.506 1.278 622 HD13 ILE 79 3HD1 ILE 79 10.913 -1.246 1.378 623 H ILE 80 H ILE 80 5.722 -1.168 3.769 624 HA ILE 80 HA ILE 80 6.230 -2.403 6.394 625 HB ILE 80 HB ILE 80 3.938 -1.545 5.790 626 HG12 ILE 80 2HG1 ILE 80 4.037 -4.531 6.413 627 HG13 ILE 80 1HG1 ILE 80 4.264 -3.242 7.588 628 HG21 ILE 80 1HG2 ILE 80 3.798 -3.902 3.882 629 HG22 ILE 80 2HG2 ILE 80 3.881 -2.205 3.414 630 HG23 ILE 80 3HG2 ILE 80 2.472 -2.807 4.287 631 HD11 ILE 80 1HD1 ILE 80 2.044 -4.176 7.736 632 HD12 ILE 80 2HD1 ILE 80 1.731 -3.792 6.044 633 HD13 ILE 80 3HD1 ILE 80 1.969 -2.494 7.218 634 H GLY 81 H GLY 81 6.581 -3.055 3.012 635 HA2 GLY 81 2HA GLY 81 8.235 -5.309 3.362 636 HA3 GLY 81 1HA GLY 81 6.613 -5.882 2.976 637 H GLU 82 H GLU 82 7.585 -6.745 1.030 638 HA GLU 82 HA GLU 82 7.558 -4.726 -1.138 639 HB2 GLU 82 2HB GLU 82 8.835 -6.309 -2.525 640 HB3 GLU 82 1HB GLU 82 9.716 -5.898 -1.058 641 HG2 GLU 82 2HG GLU 82 9.242 -8.040 -0.065 642 HG3 GLU 82 1HG GLU 82 8.122 -8.458 -1.363 643 H LEU 83 H LEU 83 6.064 -4.975 -2.694 644 HA LEU 83 HA LEU 83 4.029 -6.997 -2.601 645 HB2 LEU 83 2HB LEU 83 4.020 -4.484 -3.533 646 HB3 LEU 83 1HB LEU 83 4.554 -5.236 -5.021 647 HG LEU 83 HG LEU 83 2.093 -4.775 -4.923 648 HD11 LEU 83 1HD1 LEU 83 1.280 -6.875 -5.813 649 HD12 LEU 83 2HD1 LEU 83 2.665 -7.739 -5.142 650 HD13 LEU 83 3HD1 LEU 83 2.901 -6.547 -6.417 651 HD21 LEU 83 1HD2 LEU 83 1.724 -5.152 -2.549 652 HD22 LEU 83 2HD2 LEU 83 2.047 -6.878 -2.741 653 HD23 LEU 83 3HD2 LEU 83 0.635 -6.151 -3.511 654 H HIS 84 H HIS 84 3.771 -8.715 -4.128 655 HA HIS 84 HA HIS 84 6.085 -10.068 -5.029 656 HB2 HIS 84 2HB HIS 84 3.125 -10.459 -5.619 657 HB3 HIS 84 1HB HIS 84 4.350 -11.514 -6.316 658 HD1 HIS 84 HD1 HIS 84 2.323 -12.835 -4.633 659 HD2 HIS 84 HD2 HIS 84 5.801 -11.234 -3.034 660 HE1 HIS 84 HE1 HIS 84 2.694 -14.038 -2.464 661 HE2 HIS 84 HE2 HIS 84 4.884 -13.181 -1.629 662 HA PRO 85 HA PRO 85 6.848 -8.031 -9.106 663 HB2 PRO 85 2HB PRO 85 8.017 -10.799 -9.519 664 HB3 PRO 85 1HB PRO 85 8.700 -9.211 -9.943 665 HG2 PRO 85 2HG PRO 85 9.617 -10.494 -7.821 666 HG3 PRO 85 1HG PRO 85 9.337 -8.737 -7.736 667 HD2 PRO 85 2HD PRO 85 7.673 -10.976 -6.605 668 HD3 PRO 85 1HD PRO 85 8.025 -9.373 -5.918 669 H ASP 86 H ASP 86 5.329 -11.134 -8.477 670 HA ASP 86 HA ASP 86 4.272 -11.661 -11.079 671 HB2 ASP 86 2HB ASP 86 4.623 -13.429 -9.365 672 HB3 ASP 86 1HB ASP 86 3.412 -12.689 -8.328 673 H ASP 87 H ASP 87 2.926 -10.341 -8.054 674 HA ASP 87 HA ASP 87 0.232 -10.210 -9.075 675 HB2 ASP 87 2HB ASP 87 1.534 -9.408 -6.455 676 HB3 ASP 87 1HB ASP 87 -0.135 -8.957 -6.789 677 H ARG 88 H ARG 88 2.813 -7.823 -8.518 678 HA ARG 88 HA ARG 88 1.128 -5.552 -9.051 679 HB2 ARG 88 2HB ARG 88 3.195 -4.217 -9.039 680 HB3 ARG 88 1HB ARG 88 3.139 -5.313 -7.672 681 HG2 ARG 88 2HG ARG 88 5.360 -5.503 -8.307 682 HG3 ARG 88 1HG ARG 88 4.641 -6.868 -9.156 683 HD2 ARG 88 2HD ARG 88 4.540 -5.466 -11.231 684 HD3 ARG 88 1HD ARG 88 5.359 -4.166 -10.359 685 HE ARG 88 HE ARG 88 7.037 -6.277 -10.067 686 HH11 ARG 88 1HH1 ARG 88 5.550 -4.801 -12.905 687 HH12 ARG 88 2HH1 ARG 88 6.879 -5.203 -13.954 688 HH21 ARG 88 1HH2 ARG 88 8.799 -6.704 -11.430 689 HH22 ARG 88 2HH2 ARG 88 8.712 -6.277 -13.112 690 H SER 89 H SER 89 2.605 -7.895 -11.024 691 HA SER 89 HA SER 89 2.498 -6.301 -13.488 692 HB2 SER 89 2HB SER 89 4.489 -7.726 -13.062 693 HB3 SER 89 1HB SER 89 3.460 -9.157 -12.996 694 HG SER 89 HG SER 89 3.319 -7.507 -15.256 695 H LYS 90 H LYS 90 0.915 -8.920 -11.803 696 HA LYS 90 HA LYS 90 -0.733 -9.904 -13.930 697 HB2 LYS 90 2HB LYS 90 -0.116 -11.370 -12.088 698 HB3 LYS 90 1HB LYS 90 -0.795 -10.267 -10.900 699 HG2 LYS 90 2HG LYS 90 -3.074 -10.780 -11.708 700 HG3 LYS 90 1HG LYS 90 -2.401 -11.848 -12.945 701 HD2 LYS 90 2HD LYS 90 -3.258 -13.095 -10.943 702 HD3 LYS 90 1HD LYS 90 -1.542 -13.378 -11.241 703 HE2 LYS 90 2HE LYS 90 -0.957 -11.779 -9.464 704 HE3 LYS 90 1HE LYS 90 -2.664 -11.437 -9.184 705 HZ1 LYS 90 1HZ LYS 90 -1.779 -12.988 -7.560 706 HZ2 LYS 90 2HZ LYS 90 -1.335 -14.067 -8.785 707 HZ3 LYS 90 3HZ LYS 90 -2.971 -13.736 -8.503 708 H ILE 91 H ILE 91 -1.476 -8.112 -10.939 709 HA ILE 91 HA ILE 91 -3.984 -7.073 -12.053 710 HB ILE 91 HB ILE 91 -2.984 -6.576 -9.210 711 HG12 ILE 91 2HG1 ILE 91 -4.344 -9.138 -10.177 712 HG13 ILE 91 1HG1 ILE 91 -2.721 -9.009 -9.527 713 HG21 ILE 91 1HG2 ILE 91 -5.394 -6.537 -8.670 714 HG22 ILE 91 2HG2 ILE 91 -5.788 -6.912 -10.348 715 HG23 ILE 91 3HG2 ILE 91 -5.014 -5.378 -9.944 716 HD11 ILE 91 1HD1 ILE 91 -5.279 -8.561 -7.989 717 HD12 ILE 91 2HD1 ILE 91 -3.647 -8.388 -7.337 718 HD13 ILE 91 3HD1 ILE 91 -4.214 -9.962 -7.894 719 H ALA 92 H ALA 92 -1.297 -6.167 -12.974 720 HA ALA 92 HA ALA 92 -0.530 -3.632 -12.115 721 HB1 ALA 92 1HB ALA 92 0.470 -3.353 -14.347 722 HB2 ALA 92 2HB ALA 92 -0.468 -4.725 -14.950 723 HB3 ALA 92 3HB ALA 92 0.765 -4.974 -13.715 724 H LYS 93 H LYS 93 -3.056 -4.611 -14.356 725 HA LYS 93 HA LYS 93 -4.249 -1.901 -14.319 726 HB2 LYS 93 2HB LYS 93 -4.802 -4.138 -16.325 727 HB3 LYS 93 1HB LYS 93 -5.366 -2.472 -16.408 728 HG2 LYS 93 2HG LYS 93 -3.049 -1.700 -16.774 729 HG3 LYS 93 1HG LYS 93 -2.475 -3.367 -16.675 730 HD2 LYS 93 2HD LYS 93 -4.379 -2.255 -18.776 731 HD3 LYS 93 1HD LYS 93 -2.674 -2.635 -19.025 732 HE2 LYS 93 2HE LYS 93 -3.124 -5.025 -18.612 733 HE3 LYS 93 1HE LYS 93 -4.821 -4.666 -18.286 734 HZ1 LYS 93 1HZ LYS 93 -5.042 -3.868 -20.567 735 HZ2 LYS 93 2HZ LYS 93 -4.528 -5.477 -20.530 736 HZ3 LYS 93 3HZ LYS 93 -3.424 -4.244 -20.873 737 HA PRO 94 HA PRO 94 -7.202 -4.519 -11.873 738 HB2 PRO 94 2HB PRO 94 -7.707 -2.749 -9.889 739 HB3 PRO 94 1HB PRO 94 -6.199 -3.687 -9.910 740 HG2 PRO 94 2HG PRO 94 -6.649 -0.834 -10.697 741 HG3 PRO 94 1HG PRO 94 -5.290 -1.553 -9.807 742 HD2 PRO 94 2HD PRO 94 -5.255 -0.963 -12.536 743 HD3 PRO 94 1HD PRO 94 -4.177 -2.127 -11.735 744 H SER 95 H SER 95 -9.495 -3.601 -10.953 745 HA SER 95 HA SER 95 -10.719 -1.861 -13.034 746 HB2 SER 95 2HB SER 95 -11.362 -4.269 -13.255 747 HB3 SER 95 1HB SER 95 -11.961 -4.260 -11.598 748 HG SER 95 HG SER 95 -13.328 -2.416 -12.459 749 H GLU 96 H GLU 96 -11.606 -3.243 -9.894 750 HA GLU 96 HA GLU 96 -13.054 -1.012 -8.889 751 HB2 GLU 96 2HB GLU 96 -13.227 -2.288 -6.832 752 HB3 GLU 96 1HB GLU 96 -13.367 -3.403 -8.178 753 HG2 GLU 96 2HG GLU 96 -10.867 -2.988 -6.516 754 HG3 GLU 96 1HG GLU 96 -12.011 -4.308 -6.304 755 H THR 97 H THR 97 -9.675 -1.664 -8.997 756 HA THR 97 HA THR 97 -9.027 0.282 -6.850 757 HB THR 97 HB THR 97 -7.172 -1.769 -8.137 758 HG1 THR 97 HG1 THR 97 -8.893 -2.831 -7.093 759 HG21 THR 97 1HG2 THR 97 -5.791 -1.482 -6.126 760 HG22 THR 97 2HG2 THR 97 -6.934 -0.300 -5.483 761 HG23 THR 97 3HG2 THR 97 -6.007 0.068 -6.938 762 H LEU 98 H LEU 98 -9.414 0.146 -10.144 763 HA LEU 98 HA LEU 98 -7.078 1.587 -11.056 764 HB2 LEU 98 2HB LEU 98 -8.286 -0.090 -12.469 765 HB3 LEU 98 1HB LEU 98 -9.686 0.966 -12.512 766 HG LEU 98 HG LEU 98 -8.329 2.676 -13.753 767 HD11 LEU 98 1HD1 LEU 98 -6.130 2.056 -14.695 768 HD12 LEU 98 2HD1 LEU 98 -6.152 0.560 -13.757 769 HD13 LEU 98 3HD1 LEU 98 -6.099 2.119 -12.932 770 HD21 LEU 98 1HD2 LEU 98 -9.723 1.096 -15.003 771 HD22 LEU 98 2HD2 LEU 98 -8.397 -0.067 -15.059 772 HD23 LEU 98 3HD2 LEU 98 -8.259 1.477 -15.907 Start of MODEL 18 1 H1 ALA 1 1H ALA 1 13.302 -20.857 11.486 2 H2 ALA 1 2H ALA 1 13.858 -22.159 10.570 3 H3 ALA 1 3H ALA 1 12.443 -21.358 10.120 4 HA ALA 1 HA ALA 1 15.182 -20.236 10.108 5 HB1 ALA 1 1HB ALA 1 14.921 -20.191 7.649 6 HB2 ALA 1 2HB ALA 1 13.332 -20.946 7.801 7 HB3 ALA 1 3HB ALA 1 14.780 -21.835 8.275 8 H GLU 2 H GLU 2 15.337 -18.022 9.827 9 HA GLU 2 HA GLU 2 13.066 -16.343 10.274 10 HB2 GLU 2 2HB GLU 2 15.879 -15.629 9.337 11 HB3 GLU 2 1HB GLU 2 14.658 -14.451 9.808 12 HG2 GLU 2 2HG GLU 2 14.665 -15.337 12.098 13 HG3 GLU 2 1HG GLU 2 15.843 -16.560 11.631 14 H GLN 3 H GLN 3 11.534 -16.671 8.662 15 HA GLN 3 HA GLN 3 12.016 -16.649 5.869 16 HB2 GLN 3 2HB GLN 3 9.946 -17.571 6.915 17 HB3 GLN 3 1HB GLN 3 9.470 -15.954 7.405 18 HG2 GLN 3 2HG GLN 3 8.186 -16.663 5.465 19 HG3 GLN 3 1HG GLN 3 9.221 -15.304 5.037 20 HE21 GLN 3 1HE2 GLN 3 8.659 -18.726 4.579 21 HE22 GLN 3 2HE2 GLN 3 9.707 -18.912 3.219 22 H SER 4 H SER 4 11.361 -14.962 4.360 23 HA SER 4 HA SER 4 12.824 -12.678 4.485 24 HB2 SER 4 2HB SER 4 11.349 -11.917 2.552 25 HB3 SER 4 1HB SER 4 12.032 -13.535 2.402 26 HG SER 4 HG SER 4 9.390 -12.901 3.263 27 H ASP 5 H ASP 5 9.535 -13.055 5.652 28 HA ASP 5 HA ASP 5 8.757 -10.322 5.760 29 HB2 ASP 5 2HB ASP 5 7.645 -12.658 7.367 30 HB3 ASP 5 1HB ASP 5 6.840 -11.122 7.060 31 H LYS 6 H LYS 6 10.991 -11.934 7.679 32 HA LYS 6 HA LYS 6 10.754 -10.649 10.179 33 HB2 LYS 6 2HB LYS 6 12.278 -12.601 9.685 34 HB3 LYS 6 1HB LYS 6 13.310 -11.537 8.738 35 HG2 LYS 6 2HG LYS 6 14.311 -11.885 10.918 36 HG3 LYS 6 1HG LYS 6 13.777 -10.205 10.799 37 HD2 LYS 6 2HD LYS 6 11.769 -10.729 12.131 38 HD3 LYS 6 1HD LYS 6 12.243 -12.427 12.213 39 HE2 LYS 6 2HE LYS 6 13.857 -10.126 13.365 40 HE3 LYS 6 1HE LYS 6 12.764 -11.153 14.292 41 HZ1 LYS 6 1HZ LYS 6 15.262 -11.968 12.918 42 HZ2 LYS 6 2HZ LYS 6 14.158 -13.069 13.566 43 HZ3 LYS 6 3HZ LYS 6 14.948 -11.973 14.580 44 H ASP 7 H ASP 7 12.582 -9.790 7.243 45 HA ASP 7 HA ASP 7 12.909 -6.999 8.105 46 HB2 ASP 7 2HB ASP 7 13.904 -8.499 5.641 47 HB3 ASP 7 1HB ASP 7 14.182 -6.783 5.921 48 H VAL 8 H VAL 8 11.682 -8.707 5.220 49 HA VAL 8 HA VAL 8 10.066 -6.340 4.487 50 HB VAL 8 HB VAL 8 12.028 -6.516 3.052 51 HG11 VAL 8 1HG1 VAL 8 11.184 -9.337 2.309 52 HG12 VAL 8 2HG1 VAL 8 12.563 -8.900 3.316 53 HG13 VAL 8 3HG1 VAL 8 12.537 -8.436 1.615 54 HG21 VAL 8 1HG2 VAL 8 9.966 -5.733 1.984 55 HG22 VAL 8 2HG2 VAL 8 9.548 -7.385 1.525 56 HG23 VAL 8 3HG2 VAL 8 10.970 -6.608 0.826 57 H LYS 9 H LYS 9 7.930 -6.728 4.452 58 HA LYS 9 HA LYS 9 6.834 -9.408 4.707 59 HB2 LYS 9 2HB LYS 9 5.403 -6.720 4.429 60 HB3 LYS 9 1HB LYS 9 4.649 -8.231 4.912 61 HG2 LYS 9 2HG LYS 9 6.785 -6.799 6.502 62 HG3 LYS 9 1HG LYS 9 5.051 -6.617 6.766 63 HD2 LYS 9 2HD LYS 9 4.902 -9.045 7.284 64 HD3 LYS 9 1HD LYS 9 6.656 -9.174 7.082 65 HE2 LYS 9 2HE LYS 9 6.910 -7.434 8.904 66 HE3 LYS 9 1HE LYS 9 5.172 -7.555 9.180 67 HZ1 LYS 9 1HZ LYS 9 6.422 -8.923 10.711 68 HZ2 LYS 9 2HZ LYS 9 7.124 -9.775 9.434 69 HZ3 LYS 9 3HZ LYS 9 5.462 -9.891 9.713 70 H TYR 10 H TYR 10 6.220 -10.636 3.009 71 HA TYR 10 HA TYR 10 6.025 -9.532 0.321 72 HB2 TYR 10 2HB TYR 10 6.089 -12.310 1.505 73 HB3 TYR 10 1HB TYR 10 5.398 -12.103 -0.103 74 HD1 TYR 10 HD1 TYR 10 8.472 -11.011 1.807 75 HD2 TYR 10 HD2 TYR 10 6.840 -12.360 -1.906 76 HE1 TYR 10 HE1 TYR 10 10.720 -11.013 0.805 77 HE2 TYR 10 HE2 TYR 10 9.080 -12.372 -2.895 78 HH TYR 10 HH TYR 10 11.247 -11.211 -2.515 79 H TYR 11 H TYR 11 4.269 -8.668 -0.360 80 HA TYR 11 HA TYR 11 1.587 -9.609 0.491 81 HB2 TYR 11 2HB TYR 11 2.700 -6.887 -0.252 82 HB3 TYR 11 1HB TYR 11 0.995 -7.211 -0.538 83 HD1 TYR 11 HD1 TYR 11 -0.526 -6.771 1.168 84 HD2 TYR 11 HD2 TYR 11 3.566 -7.445 2.239 85 HE1 TYR 11 HE1 TYR 11 -1.049 -6.272 3.501 86 HE2 TYR 11 HE2 TYR 11 3.026 -6.938 4.587 87 HH TYR 11 HH TYR 11 -0.217 -6.693 5.695 88 H THR 12 H THR 12 0.039 -10.005 -1.055 89 HA THR 12 HA THR 12 0.821 -9.873 -3.915 90 HB THR 12 HB THR 12 -1.152 -11.298 -4.374 91 HG1 THR 12 HG1 THR 12 -2.493 -11.965 -2.804 92 HG21 THR 12 1HG2 THR 12 0.966 -12.461 -3.908 93 HG22 THR 12 2HG2 THR 12 -0.416 -13.402 -3.341 94 HG23 THR 12 3HG2 THR 12 0.570 -12.500 -2.188 95 H LEU 13 H LEU 13 -0.519 -8.715 -5.321 96 HA LEU 13 HA LEU 13 -1.898 -6.462 -4.185 97 HB2 LEU 13 2HB LEU 13 -0.442 -6.504 -6.332 98 HB3 LEU 13 1HB LEU 13 -1.844 -7.188 -7.135 99 HG LEU 13 HG LEU 13 -3.142 -5.156 -6.735 100 HD11 LEU 13 1HD1 LEU 13 -0.754 -4.114 -5.169 101 HD12 LEU 13 2HD1 LEU 13 -2.329 -4.563 -4.507 102 HD13 LEU 13 3HD1 LEU 13 -2.196 -3.186 -5.593 103 HD21 LEU 13 1HD2 LEU 13 -0.370 -4.420 -7.759 104 HD22 LEU 13 2HD2 LEU 13 -1.865 -3.529 -8.065 105 HD23 LEU 13 3HD2 LEU 13 -1.663 -5.152 -8.716 106 H GLU 14 H GLU 14 -2.733 -9.610 -5.263 107 HA GLU 14 HA GLU 14 -5.542 -9.342 -5.585 108 HB2 GLU 14 2HB GLU 14 -3.917 -11.343 -6.113 109 HB3 GLU 14 1HB GLU 14 -4.180 -11.817 -4.446 110 HG2 GLU 14 2HG GLU 14 -6.387 -11.490 -6.505 111 HG3 GLU 14 1HG GLU 14 -5.601 -13.018 -6.135 112 H GLU 15 H GLU 15 -3.443 -9.965 -2.778 113 HA GLU 15 HA GLU 15 -5.412 -10.187 -0.767 114 HB2 GLU 15 2HB GLU 15 -3.126 -10.891 -0.378 115 HB3 GLU 15 1HB GLU 15 -2.512 -9.275 -0.686 116 HG2 GLU 15 2HG GLU 15 -3.560 -8.471 1.391 117 HG3 GLU 15 1HG GLU 15 -4.220 -10.084 1.679 118 H ILE 16 H ILE 16 -3.616 -7.351 -1.984 119 HA ILE 16 HA ILE 16 -4.791 -5.475 -0.159 120 HB ILE 16 HB ILE 16 -3.331 -4.933 -2.784 121 HG12 ILE 16 2HG1 ILE 16 -2.210 -5.102 0.059 122 HG13 ILE 16 1HG1 ILE 16 -1.964 -6.304 -1.203 123 HG21 ILE 16 1HG2 ILE 16 -4.598 -2.975 -1.967 124 HG22 ILE 16 2HG2 ILE 16 -2.862 -2.704 -1.836 125 HG23 ILE 16 3HG2 ILE 16 -3.800 -3.102 -0.395 126 HD11 ILE 16 1HD1 ILE 16 -0.020 -4.927 -0.968 127 HD12 ILE 16 2HD1 ILE 16 -0.969 -3.464 -1.221 128 HD13 ILE 16 3HD1 ILE 16 -0.765 -4.626 -2.536 129 H GLN 17 H GLN 17 -5.662 -6.705 -3.314 130 HA GLN 17 HA GLN 17 -7.517 -4.812 -4.226 131 HB2 GLN 17 2HB GLN 17 -6.622 -6.681 -5.570 132 HB3 GLN 17 1HB GLN 17 -7.494 -7.838 -4.589 133 HG2 GLN 17 2HG GLN 17 -9.004 -5.736 -6.137 134 HG3 GLN 17 1HG GLN 17 -8.386 -7.165 -6.958 135 HE21 GLN 17 1HE2 GLN 17 -9.191 -9.243 -6.268 136 HE22 GLN 17 2HE2 GLN 17 -10.755 -9.385 -5.554 137 H LYS 18 H LYS 18 -7.758 -7.200 -1.694 138 HA LYS 18 HA LYS 18 -10.618 -7.246 -1.409 139 HB2 LYS 18 2HB LYS 18 -8.502 -8.018 0.642 140 HB3 LYS 18 1HB LYS 18 -10.181 -8.556 0.606 141 HG2 LYS 18 2HG LYS 18 -9.741 -9.794 -1.487 142 HG3 LYS 18 1HG LYS 18 -8.065 -9.237 -1.460 143 HD2 LYS 18 2HD LYS 18 -7.817 -10.399 0.794 144 HD3 LYS 18 1HD LYS 18 -9.418 -11.099 0.530 145 HE2 LYS 18 2HE LYS 18 -6.936 -11.533 -1.165 146 HE3 LYS 18 1HE LYS 18 -7.730 -12.711 -0.119 147 HZ1 LYS 18 1HZ LYS 18 -8.882 -11.501 -2.571 148 HZ2 LYS 18 2HZ LYS 18 -9.673 -12.602 -1.560 149 HZ3 LYS 18 3HZ LYS 18 -8.295 -13.077 -2.418 150 H HIS 19 H HIS 19 -8.957 -4.590 -1.129 151 HA HIS 19 HA HIS 19 -9.220 -3.435 1.336 152 HB2 HIS 19 2HB HIS 19 -9.355 -1.229 0.016 153 HB3 HIS 19 1HB HIS 19 -7.962 -2.248 -0.277 154 HD1 HIS 19 HD1 HIS 19 -7.427 -2.709 -2.670 155 HD2 HIS 19 HD2 HIS 19 -11.338 -1.376 -2.220 156 HE1 HIS 19 HE1 HIS 19 -8.288 -2.334 -4.998 157 HE2 HIS 19 HE2 HIS 19 -10.563 -1.325 -4.683 158 H LYS 20 H LYS 20 -11.002 -3.678 2.529 159 HA LYS 20 HA LYS 20 -13.499 -2.356 1.696 160 HB2 LYS 20 2HB LYS 20 -14.883 -4.262 2.446 161 HB3 LYS 20 1HB LYS 20 -13.838 -4.730 1.109 162 HG2 LYS 20 2HG LYS 20 -12.357 -5.953 2.570 163 HG3 LYS 20 1HG LYS 20 -13.141 -5.302 4.013 164 HD2 LYS 20 2HD LYS 20 -13.851 -7.621 3.629 165 HD3 LYS 20 1HD LYS 20 -15.217 -6.521 3.443 166 HE2 LYS 20 2HE LYS 20 -14.779 -6.610 0.928 167 HE3 LYS 20 1HE LYS 20 -13.661 -7.933 1.259 168 HZ1 LYS 20 1HZ LYS 20 -15.878 -8.718 0.649 169 HZ2 LYS 20 2HZ LYS 20 -16.550 -7.910 1.974 170 HZ3 LYS 20 3HZ LYS 20 -15.474 -9.190 2.223 171 H ASP 21 H ASP 21 -11.132 -2.322 3.816 172 HA ASP 21 HA ASP 21 -12.653 -1.154 5.959 173 HB2 ASP 21 2HB ASP 21 -12.677 -3.739 6.385 174 HB3 ASP 21 1HB ASP 21 -10.970 -3.576 6.770 175 H SER 22 H SER 22 -11.112 -0.309 7.682 176 HA SER 22 HA SER 22 -8.904 1.046 6.586 177 HB2 SER 22 2HB SER 22 -9.430 0.487 9.537 178 HB3 SER 22 1HB SER 22 -8.502 1.826 8.852 179 HG SER 22 HG SER 22 -10.301 2.876 8.647 180 H LYS 23 H LYS 23 -9.172 -1.924 8.522 181 HA LYS 23 HA LYS 23 -6.332 -2.324 8.793 182 HB2 LYS 23 2HB LYS 23 -6.963 -4.555 9.784 183 HB3 LYS 23 1HB LYS 23 -7.649 -3.157 10.587 184 HG2 LYS 23 2HG LYS 23 -9.377 -4.759 10.578 185 HG3 LYS 23 1HG LYS 23 -9.803 -3.620 9.309 186 HD2 LYS 23 2HD LYS 23 -10.252 -5.930 8.602 187 HD3 LYS 23 1HD LYS 23 -9.000 -5.201 7.595 188 HE2 LYS 23 2HE LYS 23 -7.270 -6.388 8.916 189 HE3 LYS 23 1HE LYS 23 -8.537 -7.135 9.893 190 HZ1 LYS 23 1HZ LYS 23 -7.731 -8.596 8.132 191 HZ2 LYS 23 2HZ LYS 23 -8.213 -7.473 6.962 192 HZ3 LYS 23 3HZ LYS 23 -9.369 -8.229 7.931 193 H SER 24 H SER 24 -8.434 -2.839 6.217 194 HA SER 24 HA SER 24 -6.361 -4.454 4.830 195 HB2 SER 24 2HB SER 24 -8.566 -5.665 5.047 196 HB3 SER 24 1HB SER 24 -9.350 -4.359 4.160 197 HG SER 24 HG SER 24 -7.352 -6.150 3.234 198 H THR 25 H THR 25 -5.412 -2.251 4.701 199 HA THR 25 HA THR 25 -6.087 -1.037 2.135 200 HB THR 25 HB THR 25 -5.861 0.701 4.655 201 HG1 THR 25 HG1 THR 25 -7.977 -0.460 3.985 202 HG21 THR 25 1HG2 THR 25 -6.358 1.513 1.760 203 HG22 THR 25 2HG2 THR 25 -4.843 1.746 2.634 204 HG23 THR 25 3HG2 THR 25 -6.298 2.592 3.152 205 H TRP 26 H TRP 26 -4.238 -1.104 1.081 206 HA TRP 26 HA TRP 26 -1.706 -0.182 2.229 207 HB2 TRP 26 2HB TRP 26 -2.023 -2.922 0.893 208 HB3 TRP 26 1HB TRP 26 -0.484 -2.171 1.293 209 HD1 TRP 26 HD TRP 26 0.062 -1.925 3.999 210 HE1 TRP 26 HE1 TRP 26 -0.650 -3.398 5.974 211 HE3 TRP 26 HE3 TRP 26 -3.798 -4.425 1.777 212 HZ2 TRP 26 HZ2 TRP 26 -2.584 -5.385 6.514 213 HZ3 TRP 26 HZ3 TRP 26 -5.022 -6.109 3.088 214 HH2 TRP 26 HH TRP 26 -4.424 -6.582 5.412 215 H VAL 27 H VAL 27 -0.149 0.318 0.437 216 HA VAL 27 HA VAL 27 -1.370 0.544 -2.256 217 HB VAL 27 HB VAL 27 -0.433 2.885 -2.451 218 HG11 VAL 27 1HG1 VAL 27 -2.583 2.561 -0.318 219 HG12 VAL 27 2HG1 VAL 27 -2.840 2.572 -2.064 220 HG13 VAL 27 3HG1 VAL 27 -2.264 4.028 -1.253 221 HG21 VAL 27 1HG2 VAL 27 1.218 2.773 -0.630 222 HG22 VAL 27 2HG2 VAL 27 -0.077 2.680 0.565 223 HG23 VAL 27 3HG2 VAL 27 0.133 4.144 -0.402 224 H ILE 28 H ILE 28 0.209 0.698 -4.001 225 HA ILE 28 HA ILE 28 2.949 -0.164 -3.251 226 HB ILE 28 HB ILE 28 2.947 -1.911 -4.942 227 HG12 ILE 28 2HG1 ILE 28 0.393 -2.467 -5.867 228 HG13 ILE 28 1HG1 ILE 28 0.335 -0.712 -5.858 229 HG21 ILE 28 1HG2 ILE 28 2.175 -2.539 -2.734 230 HG22 ILE 28 2HG2 ILE 28 1.265 -3.453 -3.932 231 HG23 ILE 28 3HG2 ILE 28 0.517 -2.076 -3.128 232 HD11 ILE 28 1HD1 ILE 28 2.379 -2.383 -7.326 233 HD12 ILE 28 2HD1 ILE 28 2.221 -0.625 -7.404 234 HD13 ILE 28 3HD1 ILE 28 0.941 -1.659 -8.041 235 H LEU 29 H LEU 29 4.569 0.970 -4.291 236 HA LEU 29 HA LEU 29 3.760 3.037 -6.198 237 HB2 LEU 29 2HB LEU 29 5.793 4.094 -5.851 238 HB3 LEU 29 1HB LEU 29 5.535 3.315 -4.306 239 HG LEU 29 HG LEU 29 7.392 2.224 -6.470 240 HD11 LEU 29 1HD1 LEU 29 8.141 3.816 -3.994 241 HD12 LEU 29 2HD1 LEU 29 8.232 4.388 -5.662 242 HD13 LEU 29 3HD1 LEU 29 9.266 3.064 -5.131 243 HD21 LEU 29 1HD2 LEU 29 7.104 1.429 -3.555 244 HD22 LEU 29 2HD2 LEU 29 8.293 0.791 -4.694 245 HD23 LEU 29 3HD2 LEU 29 6.577 0.482 -4.950 246 H HIS 30 H HIS 30 5.218 -0.073 -6.267 247 HA HIS 30 HA HIS 30 4.902 -0.531 -8.981 248 HB2 HIS 30 2HB HIS 30 6.865 1.080 -9.200 249 HB3 HIS 30 1HB HIS 30 7.858 -0.066 -8.306 250 HD1 HIS 30 HD1 HIS 30 9.440 -0.759 -10.153 251 HD2 HIS 30 HD2 HIS 30 5.457 -1.062 -11.296 252 HE1 HIS 30 HE1 HIS 30 9.468 -1.864 -12.405 253 HE2 HIS 30 HE2 HIS 30 7.047 -2.129 -13.022 254 H HIS 31 H HIS 31 7.475 -1.313 -6.569 255 HA HIS 31 HA HIS 31 6.607 -4.159 -6.642 256 HB2 HIS 31 2HB HIS 31 8.661 -3.892 -7.969 257 HB3 HIS 31 1HB HIS 31 9.462 -3.082 -6.633 258 HD1 HIS 31 HD1 HIS 31 11.211 -4.632 -5.834 259 HD2 HIS 31 HD2 HIS 31 7.691 -6.651 -6.694 260 HE1 HIS 31 HE1 HIS 31 11.606 -7.001 -5.117 261 HE2 HIS 31 HE2 HIS 31 9.366 -8.105 -5.365 262 H LYS 32 H LYS 32 7.144 -1.444 -4.639 263 HA LYS 32 HA LYS 32 7.348 -3.170 -2.230 264 HB2 LYS 32 2HB LYS 32 7.997 -0.210 -2.552 265 HB3 LYS 32 1HB LYS 32 7.893 -1.009 -0.992 266 HG2 LYS 32 2HG LYS 32 9.870 -1.668 -3.190 267 HG3 LYS 32 1HG LYS 32 10.212 -0.766 -1.709 268 HD2 LYS 32 2HD LYS 32 9.468 -2.831 -0.412 269 HD3 LYS 32 1HD LYS 32 9.437 -3.693 -1.951 270 HE2 LYS 32 2HE LYS 32 11.861 -2.377 -0.696 271 HE3 LYS 32 1HE LYS 32 11.522 -4.107 -0.731 272 HZ1 LYS 32 1HZ LYS 32 13.102 -3.398 -2.430 273 HZ2 LYS 32 2HZ LYS 32 11.917 -2.419 -3.133 274 HZ3 LYS 32 3HZ LYS 32 11.718 -4.096 -3.098 275 H VAL 33 H VAL 33 5.725 -3.261 -0.833 276 HA VAL 33 HA VAL 33 3.330 -1.596 -1.206 277 HB VAL 33 HB VAL 33 2.929 -4.004 -1.103 278 HG11 VAL 33 1HG1 VAL 33 4.868 -4.727 0.187 279 HG12 VAL 33 2HG1 VAL 33 3.388 -5.353 0.904 280 HG13 VAL 33 3HG1 VAL 33 4.214 -3.981 1.646 281 HG21 VAL 33 1HG2 VAL 33 1.937 -2.639 1.429 282 HG22 VAL 33 2HG2 VAL 33 1.239 -4.086 0.698 283 HG23 VAL 33 3HG2 VAL 33 1.188 -2.553 -0.169 284 H TYR 34 H TYR 34 2.649 -0.199 0.303 285 HA TYR 34 HA TYR 34 4.236 0.267 2.748 286 HB2 TYR 34 2HB TYR 34 2.568 2.299 1.177 287 HB3 TYR 34 1HB TYR 34 3.572 2.634 2.584 288 HD1 TYR 34 HD1 TYR 34 3.678 1.667 -1.030 289 HD2 TYR 34 HD2 TYR 34 5.924 3.025 2.341 290 HE1 TYR 34 HE1 TYR 34 5.597 2.128 -2.491 291 HE2 TYR 34 HE2 TYR 34 7.834 3.486 0.886 292 HH TYR 34 HH TYR 34 7.644 3.612 -2.450 293 H ASP 35 H ASP 35 3.058 0.636 4.626 294 HA ASP 35 HA ASP 35 0.458 -0.611 4.747 295 HB2 ASP 35 2HB ASP 35 2.192 -1.150 6.462 296 HB3 ASP 35 1HB ASP 35 2.170 0.527 7.008 297 H LEU 36 H LEU 36 -1.135 0.632 4.132 298 HA LEU 36 HA LEU 36 -1.162 3.499 4.748 299 HB2 LEU 36 2HB LEU 36 -1.815 2.071 2.442 300 HB3 LEU 36 1HB LEU 36 -3.394 2.395 3.127 301 HG LEU 36 HG LEU 36 -2.708 4.109 1.467 302 HD11 LEU 36 1HD1 LEU 36 -4.234 4.741 3.296 303 HD12 LEU 36 2HD1 LEU 36 -3.253 6.094 2.747 304 HD13 LEU 36 3HD1 LEU 36 -2.856 5.275 4.263 305 HD21 LEU 36 1HD2 LEU 36 -0.499 4.872 3.414 306 HD22 LEU 36 2HD2 LEU 36 -0.876 5.652 1.875 307 HD23 LEU 36 3HD2 LEU 36 -0.254 4.008 1.897 308 H THR 37 H THR 37 -2.418 0.570 5.909 309 HA THR 37 HA THR 37 -4.832 1.131 7.108 310 HB THR 37 HB THR 37 -2.499 -0.559 8.099 311 HG1 THR 37 HG1 THR 37 -4.712 -0.962 6.436 312 HG21 THR 37 1HG2 THR 37 -4.084 -1.737 9.587 313 HG22 THR 37 2HG2 THR 37 -5.353 -0.588 9.161 314 HG23 THR 37 3HG2 THR 37 -3.931 -0.042 10.054 315 H LYS 38 H LYS 38 -1.577 1.789 8.412 316 HA LYS 38 HA LYS 38 -2.655 3.178 10.753 317 HB2 LYS 38 2HB LYS 38 -0.332 1.613 10.238 318 HB3 LYS 38 1HB LYS 38 0.286 3.236 10.468 319 HG2 LYS 38 2HG LYS 38 -1.545 1.843 12.449 320 HG3 LYS 38 1HG LYS 38 0.213 1.781 12.530 321 HD2 LYS 38 2HD LYS 38 -1.492 4.288 12.730 322 HD3 LYS 38 1HD LYS 38 -0.675 3.475 14.068 323 HE2 LYS 38 2HE LYS 38 1.515 3.917 12.947 324 HE3 LYS 38 1HE LYS 38 0.654 4.819 11.692 325 HZ1 LYS 38 1HZ LYS 38 1.510 6.343 13.270 326 HZ2 LYS 38 2HZ LYS 38 0.841 5.501 14.570 327 HZ3 LYS 38 3HZ LYS 38 -0.168 6.305 13.478 328 H PHE 39 H PHE 39 -1.465 3.906 7.622 329 HA PHE 39 HA PHE 39 -0.466 6.560 8.085 330 HB2 PHE 39 2HB PHE 39 0.193 4.951 6.222 331 HB3 PHE 39 1HB PHE 39 -1.349 5.289 5.462 332 HD1 PHE 39 HD1 PHE 39 -1.721 7.447 4.298 333 HD2 PHE 39 HD2 PHE 39 2.009 6.601 6.219 334 HE1 PHE 39 HE1 PHE 39 -0.650 9.270 3.041 335 HE2 PHE 39 HE2 PHE 39 3.063 8.432 4.962 336 HZ PHE 39 HZ PHE 39 1.740 9.759 3.366 337 H LEU 40 H LEU 40 -3.598 5.182 7.102 338 HA LEU 40 HA LEU 40 -4.897 7.688 6.580 339 HB2 LEU 40 2HB LEU 40 -6.969 6.417 6.442 340 HB3 LEU 40 1HB LEU 40 -5.691 5.603 5.573 341 HG LEU 40 HG LEU 40 -5.533 4.211 7.904 342 HD11 LEU 40 1HD1 LEU 40 -7.756 3.710 8.803 343 HD12 LEU 40 2HD1 LEU 40 -8.463 4.965 7.782 344 HD13 LEU 40 3HD1 LEU 40 -7.316 5.399 9.052 345 HD21 LEU 40 1HD2 LEU 40 -7.499 3.593 5.676 346 HD22 LEU 40 2HD2 LEU 40 -6.906 2.436 6.871 347 HD23 LEU 40 3HD2 LEU 40 -5.788 3.164 5.723 348 H GLU 41 H GLU 41 -4.272 5.809 9.424 349 HA GLU 41 HA GLU 41 -6.110 6.976 11.243 350 HB2 GLU 41 2HB GLU 41 -3.383 5.718 11.773 351 HB3 GLU 41 1HB GLU 41 -4.562 6.091 13.021 352 HG2 GLU 41 2HG GLU 41 -5.082 4.149 10.753 353 HG3 GLU 41 1HG GLU 41 -4.436 3.677 12.320 354 H GLU 42 H GLU 42 -3.092 8.079 9.959 355 HA GLU 42 HA GLU 42 -2.346 9.861 12.050 356 HB2 GLU 42 2HB GLU 42 -1.488 9.694 9.143 357 HB3 GLU 42 1HB GLU 42 -0.701 10.700 10.351 358 HG2 GLU 42 2HG GLU 42 -0.920 7.681 10.511 359 HG3 GLU 42 1HG GLU 42 0.482 8.554 9.897 360 H TRP 43 H TRP 43 -3.262 10.801 8.691 361 HA TRP 43 HA TRP 43 -4.181 13.410 9.781 362 HB2 TRP 43 2HB TRP 43 -3.007 12.834 7.033 363 HB3 TRP 43 1HB TRP 43 -3.757 14.360 7.469 364 HD1 TRP 43 HD TRP 43 -1.233 12.492 9.750 365 HE1 TRP 43 HE1 TRP 43 0.849 13.957 9.998 366 HE3 TRP 43 HE3 TRP 43 -2.423 16.222 6.449 367 HZ2 TRP 43 HZ2 TRP 43 1.886 16.343 8.954 368 HZ3 TRP 43 HZ3 TRP 43 -0.809 18.060 6.123 369 HH2 TRP 43 HH TRP 43 1.306 18.117 7.353 370 HA PRO 44 HA PRO 44 -7.192 12.683 5.972 371 HB2 PRO 44 2HB PRO 44 -7.339 9.667 5.828 372 HB3 PRO 44 1HB PRO 44 -7.343 10.869 4.514 373 HG2 PRO 44 2HG PRO 44 -5.162 9.450 4.966 374 HG3 PRO 44 1HG PRO 44 -5.025 11.188 4.605 375 HD2 PRO 44 2HD PRO 44 -4.867 9.799 7.282 376 HD3 PRO 44 1HD PRO 44 -3.832 11.085 6.619 377 H GLY 45 H GLY 45 -7.301 10.127 8.491 378 HA2 GLY 45 2HA GLY 45 -8.754 9.889 10.263 379 HA3 GLY 45 1HA GLY 45 -9.623 11.317 9.738 380 H GLY 46 H GLY 46 -9.772 9.731 7.024 381 HA2 GLY 46 2HA GLY 46 -11.900 7.804 7.664 382 HA3 GLY 46 1HA GLY 46 -12.186 9.095 6.503 383 H GLU 47 H GLU 47 -11.103 5.973 6.892 384 HA GLU 47 HA GLU 47 -9.051 5.585 5.082 385 HB2 GLU 47 2HB GLU 47 -9.693 3.234 5.010 386 HB3 GLU 47 1HB GLU 47 -9.839 3.854 6.642 387 HG2 GLU 47 2HG GLU 47 -12.130 3.321 4.735 388 HG3 GLU 47 1HG GLU 47 -11.662 2.311 6.098 389 H GLU 48 H GLU 48 -12.488 5.925 4.397 390 HA GLU 48 HA GLU 48 -13.005 4.683 2.092 391 HB2 GLU 48 2HB GLU 48 -14.578 6.614 1.528 392 HB3 GLU 48 1HB GLU 48 -14.755 5.892 3.122 393 HG2 GLU 48 2HG GLU 48 -13.579 7.735 4.164 394 HG3 GLU 48 1HG GLU 48 -13.181 8.425 2.593 395 H VAL 49 H VAL 49 -11.388 7.878 2.119 396 HA VAL 49 HA VAL 49 -11.487 8.419 -0.637 397 HB VAL 49 HB VAL 49 -11.107 10.157 1.066 398 HG11 VAL 49 1HG1 VAL 49 -8.327 8.995 1.456 399 HG12 VAL 49 2HG1 VAL 49 -9.655 8.908 2.613 400 HG13 VAL 49 3HG1 VAL 49 -8.953 10.472 2.198 401 HG21 VAL 49 1HG2 VAL 49 -10.421 10.652 -1.249 402 HG22 VAL 49 2HG2 VAL 49 -8.799 10.044 -0.915 403 HG23 VAL 49 3HG2 VAL 49 -9.385 11.493 -0.094 404 H LEU 50 H LEU 50 -9.155 6.597 1.233 405 HA LEU 50 HA LEU 50 -7.337 6.286 -1.086 406 HB2 LEU 50 2HB LEU 50 -5.636 5.678 0.781 407 HB3 LEU 50 1HB LEU 50 -6.102 7.349 0.569 408 HG LEU 50 HG LEU 50 -7.816 6.906 2.497 409 HD11 LEU 50 1HD1 LEU 50 -7.607 4.491 2.596 410 HD12 LEU 50 2HD1 LEU 50 -7.164 5.228 4.131 411 HD13 LEU 50 3HD1 LEU 50 -5.906 4.632 3.045 412 HD21 LEU 50 1HD2 LEU 50 -6.150 7.510 4.207 413 HD22 LEU 50 2HD2 LEU 50 -5.935 8.437 2.723 414 HD23 LEU 50 3HD2 LEU 50 -4.849 7.095 3.088 415 H ARG 51 H ARG 51 -9.491 4.636 0.958 416 HA ARG 51 HA ARG 51 -8.317 2.003 0.844 417 HB2 ARG 51 2HB ARG 51 -9.683 2.710 2.762 418 HB3 ARG 51 1HB ARG 51 -11.070 2.993 1.734 419 HG2 ARG 51 2HG ARG 51 -9.935 0.198 1.888 420 HG3 ARG 51 1HG ARG 51 -10.876 0.813 3.248 421 HD2 ARG 51 2HD ARG 51 -11.817 0.568 0.374 422 HD3 ARG 51 1HD ARG 51 -12.322 -0.433 1.738 423 HE ARG 51 HE ARG 51 -13.252 1.696 2.717 424 HH11 ARG 51 1HH1 ARG 51 -13.012 1.321 -0.768 425 HH12 ARG 51 2HH1 ARG 51 -14.305 2.423 -1.100 426 HH21 ARG 51 1HH2 ARG 51 -14.974 3.127 2.256 427 HH22 ARG 51 2HH2 ARG 51 -15.413 3.443 0.605 428 H GLU 52 H GLU 52 -10.745 3.830 -0.948 429 HA GLU 52 HA GLU 52 -11.824 1.798 -2.567 430 HB2 GLU 52 2HB GLU 52 -12.430 3.670 -4.132 431 HB3 GLU 52 1HB GLU 52 -12.883 3.969 -2.458 432 HG2 GLU 52 2HG GLU 52 -10.915 5.431 -2.170 433 HG3 GLU 52 1HG GLU 52 -10.436 5.114 -3.835 434 H GLN 53 H GLN 53 -8.910 3.770 -2.981 435 HA GLN 53 HA GLN 53 -8.068 2.130 -5.312 436 HB2 GLN 53 2HB GLN 53 -6.631 4.159 -5.899 437 HB3 GLN 53 1HB GLN 53 -8.363 4.358 -6.111 438 HG2 GLN 53 2HG GLN 53 -8.507 5.671 -4.065 439 HG3 GLN 53 1HG GLN 53 -6.797 5.398 -3.730 440 HE21 GLN 53 1HE2 GLN 53 -5.769 5.788 -6.336 441 HE22 GLN 53 2HE2 GLN 53 -5.922 7.466 -6.721 442 H ALA 54 H ALA 54 -7.734 1.388 -2.573 443 HA ALA 54 HA ALA 54 -4.960 1.650 -1.854 444 HB1 ALA 54 1HB ALA 54 -6.668 1.153 -0.153 445 HB2 ALA 54 2HB ALA 54 -5.437 -0.111 -0.200 446 HB3 ALA 54 3HB ALA 54 -7.017 -0.390 -0.937 447 H GLY 55 H GLY 55 -3.324 0.647 -2.830 448 HA2 GLY 55 2HA GLY 55 -2.150 -1.120 -3.846 449 HA3 GLY 55 1HA GLY 55 -3.669 -1.912 -4.242 450 H GLY 56 H GLY 56 -4.317 1.146 -5.056 451 HA2 GLY 56 2HA GLY 56 -4.186 0.787 -7.859 452 HA3 GLY 56 1HA GLY 56 -4.520 2.298 -7.019 453 H ASP 57 H ASP 57 -2.281 2.844 -5.664 454 HA ASP 57 HA ASP 57 0.188 2.481 -7.011 455 HB2 ASP 57 2HB ASP 57 -0.797 3.948 -8.732 456 HB3 ASP 57 1HB ASP 57 -1.259 5.133 -7.515 457 H ALA 58 H ALA 58 1.914 3.943 -6.050 458 HA ALA 58 HA ALA 58 1.282 5.461 -3.643 459 HB1 ALA 58 1HB ALA 58 2.816 4.237 -2.182 460 HB2 ALA 58 2HB ALA 58 3.190 3.093 -3.474 461 HB3 ALA 58 3HB ALA 58 1.570 3.144 -2.781 462 H THR 59 H THR 59 2.724 5.449 -6.495 463 HA THR 59 HA THR 59 5.312 6.560 -5.830 464 HB THR 59 HB THR 59 3.842 6.587 -8.508 465 HG1 THR 59 HG1 THR 59 4.222 4.504 -8.258 466 HG21 THR 59 1HG2 THR 59 6.086 6.905 -9.499 467 HG22 THR 59 2HG2 THR 59 6.800 6.978 -7.888 468 HG23 THR 59 3HG2 THR 59 5.689 8.242 -8.419 469 H GLU 60 H GLU 60 2.227 7.728 -7.107 470 HA GLU 60 HA GLU 60 2.805 10.467 -6.132 471 HB2 GLU 60 2HB GLU 60 0.964 9.666 -8.435 472 HB3 GLU 60 1HB GLU 60 1.362 11.309 -7.929 473 HG2 GLU 60 2HG GLU 60 3.764 10.850 -8.539 474 HG3 GLU 60 1HG GLU 60 3.257 9.281 -9.156 475 H ASN 61 H ASN 61 0.653 7.724 -6.084 476 HA ASN 61 HA ASN 61 -1.826 9.013 -5.558 477 HB2 ASN 61 2HB ASN 61 -1.424 6.645 -6.431 478 HB3 ASN 61 1HB ASN 61 -1.078 6.169 -4.783 479 HD21 ASN 61 1HD2 ASN 61 -3.490 8.209 -4.106 480 HD22 ASN 61 2HD2 ASN 61 -4.844 7.189 -4.354 481 H PHE 62 H PHE 62 0.598 7.574 -3.411 482 HA PHE 62 HA PHE 62 -0.743 7.459 -0.984 483 HB2 PHE 62 2HB PHE 62 1.434 7.280 0.048 484 HB3 PHE 62 1HB PHE 62 1.566 6.537 -1.543 485 HD1 PHE 62 HD1 PHE 62 2.392 8.186 -3.490 486 HD2 PHE 62 HD2 PHE 62 3.079 8.838 0.673 487 HE1 PHE 62 HE1 PHE 62 4.223 9.732 -4.017 488 HE2 PHE 62 HE2 PHE 62 4.901 10.355 0.114 489 HZ PHE 62 HZ PHE 62 5.488 10.821 -2.219 490 H GLU 63 H GLU 63 0.666 10.250 -2.567 491 HA GLU 63 HA GLU 63 0.445 12.015 -0.238 492 HB2 GLU 63 2HB GLU 63 2.472 12.098 -1.710 493 HB3 GLU 63 1HB GLU 63 1.458 12.565 -3.073 494 HG2 GLU 63 2HG GLU 63 0.793 14.617 -1.772 495 HG3 GLU 63 1HG GLU 63 1.988 14.173 -0.553 496 H ASP 64 H ASP 64 -1.023 11.386 -3.360 497 HA ASP 64 HA ASP 64 -2.694 13.587 -3.721 498 HB2 ASP 64 2HB ASP 64 -2.323 11.873 -5.463 499 HB3 ASP 64 1HB ASP 64 -3.133 10.665 -4.483 500 H VAL 65 H VAL 65 -3.464 10.471 -2.184 501 HA VAL 65 HA VAL 65 -5.987 11.502 -1.062 502 HB VAL 65 HB VAL 65 -6.453 9.077 -0.551 503 HG11 VAL 65 1HG1 VAL 65 -5.796 9.700 -3.450 504 HG12 VAL 65 2HG1 VAL 65 -7.291 10.109 -2.606 505 HG13 VAL 65 3HG1 VAL 65 -6.876 8.419 -2.884 506 HG21 VAL 65 1HG2 VAL 65 -4.123 8.266 -0.367 507 HG22 VAL 65 2HG2 VAL 65 -3.870 8.553 -2.089 508 HG23 VAL 65 3HG2 VAL 65 -5.022 7.327 -1.559 509 H GLY 66 H GLY 66 -2.798 10.913 -0.064 510 HA2 GLY 66 2HA GLY 66 -3.399 10.115 2.685 511 HA3 GLY 66 1HA GLY 66 -1.813 10.343 1.971 512 H PHE 67 H PHE 67 -0.710 12.186 2.430 513 HA PHE 67 HA PHE 67 -2.061 14.243 4.097 514 HB2 PHE 67 2HB PHE 67 0.948 13.740 3.901 515 HB3 PHE 67 1HB PHE 67 0.102 14.692 5.111 516 HD1 PHE 67 HD1 PHE 67 2.138 12.864 5.953 517 HD2 PHE 67 HD2 PHE 67 -1.981 12.028 5.184 518 HE1 PHE 67 HE1 PHE 67 2.217 10.948 7.479 519 HE2 PHE 67 HE2 PHE 67 -1.873 10.116 6.705 520 HZ PHE 67 HZ PHE 67 0.230 9.572 7.853 521 H SER 68 H SER 68 -0.264 16.314 3.867 522 HA SER 68 HA SER 68 -0.237 17.257 1.149 523 HB2 SER 68 2HB SER 68 1.245 19.062 2.227 524 HB3 SER 68 1HB SER 68 -0.358 18.875 2.937 525 HG SER 68 HG SER 68 2.147 18.169 3.974 526 H THR 69 H THR 69 2.558 18.269 1.136 527 HA THR 69 HA THR 69 3.896 16.107 -0.106 528 HB THR 69 HB THR 69 5.945 17.657 0.015 529 HG1 THR 69 HG1 THR 69 5.782 19.238 1.399 530 HG21 THR 69 1HG2 THR 69 4.388 17.630 -1.933 531 HG22 THR 69 2HG2 THR 69 5.059 19.232 -1.627 532 HG23 THR 69 3HG2 THR 69 3.404 18.863 -1.138 533 H ASP 70 H ASP 70 3.672 16.950 3.217 534 HA ASP 70 HA ASP 70 5.931 15.742 4.352 535 HB2 ASP 70 2HB ASP 70 3.081 15.968 5.414 536 HB3 ASP 70 1HB ASP 70 4.457 15.469 6.396 537 H ALA 71 H ALA 71 3.150 14.310 2.843 538 HA ALA 71 HA ALA 71 3.063 11.738 3.928 539 HB1 ALA 71 1HB ALA 71 2.489 12.544 1.052 540 HB2 ALA 71 2HB ALA 71 1.348 12.626 2.394 541 HB3 ALA 71 3HB ALA 71 1.943 11.061 1.845 542 H ARG 72 H ARG 72 5.466 13.137 1.820 543 HA ARG 72 HA ARG 72 6.413 10.779 0.562 544 HB2 ARG 72 2HB ARG 72 7.875 13.399 1.073 545 HB3 ARG 72 1HB ARG 72 8.435 12.123 -0.006 546 HG2 ARG 72 2HG ARG 72 6.370 12.414 -1.378 547 HG3 ARG 72 1HG ARG 72 5.889 13.748 -0.324 548 HD2 ARG 72 2HD ARG 72 6.884 14.650 -2.331 549 HD3 ARG 72 1HD ARG 72 7.979 14.957 -0.982 550 HE ARG 72 HE ARG 72 9.144 12.820 -1.849 551 HH11 ARG 72 1HH1 ARG 72 7.647 15.238 -3.930 552 HH12 ARG 72 2HH1 ARG 72 8.696 14.901 -5.270 553 HH21 ARG 72 1HH2 ARG 72 10.487 12.382 -3.623 554 HH22 ARG 72 2HH2 ARG 72 10.303 13.287 -5.095 555 H GLU 73 H GLU 73 7.943 12.636 3.236 556 HA GLU 73 HA GLU 73 9.901 10.680 3.827 557 HB2 GLU 73 2HB GLU 73 10.322 11.961 5.901 558 HB3 GLU 73 1HB GLU 73 10.195 13.015 4.497 559 HG2 GLU 73 2HG GLU 73 7.882 13.606 5.142 560 HG3 GLU 73 1HG GLU 73 8.007 12.548 6.548 561 H LEU 74 H LEU 74 6.616 11.138 4.992 562 HA LEU 74 HA LEU 74 6.734 9.275 7.133 563 HB2 LEU 74 2HB LEU 74 4.513 10.697 5.691 564 HB3 LEU 74 1HB LEU 74 4.087 9.276 6.626 565 HG LEU 74 HG LEU 74 3.707 11.217 8.002 566 HD11 LEU 74 1HD1 LEU 74 6.214 9.830 8.989 567 HD12 LEU 74 2HD1 LEU 74 4.558 9.254 9.182 568 HD13 LEU 74 3HD1 LEU 74 5.066 10.741 9.975 569 HD21 LEU 74 1HD2 LEU 74 5.144 12.848 6.897 570 HD22 LEU 74 2HD2 LEU 74 6.583 12.054 7.536 571 HD23 LEU 74 3HD2 LEU 74 5.443 12.836 8.634 572 H SER 75 H SER 75 5.525 8.899 3.746 573 HA SER 75 HA SER 75 4.728 6.204 4.001 574 HB2 SER 75 2HB SER 75 4.783 6.097 1.533 575 HB3 SER 75 1HB SER 75 4.050 7.605 2.077 576 HG SER 75 HG SER 75 5.872 8.706 1.509 577 H LYS 76 H LYS 76 7.885 7.643 3.484 578 HA LYS 76 HA LYS 76 9.290 5.401 2.505 579 HB2 LYS 76 2HB LYS 76 10.324 7.756 4.145 580 HB3 LYS 76 1HB LYS 76 11.358 6.568 3.360 581 HG2 LYS 76 2HG LYS 76 9.524 8.564 2.013 582 HG3 LYS 76 1HG LYS 76 11.282 8.569 2.014 583 HD2 LYS 76 2HD LYS 76 9.503 6.493 0.681 584 HD3 LYS 76 1HD LYS 76 10.381 7.784 -0.137 585 HE2 LYS 76 2HE LYS 76 12.520 6.790 0.525 586 HE3 LYS 76 1HE LYS 76 11.678 5.528 1.430 587 HZ1 LYS 76 1HZ LYS 76 10.688 4.765 -0.642 588 HZ2 LYS 76 2HZ LYS 76 12.372 4.725 -0.726 589 HZ3 LYS 76 3HZ LYS 76 11.521 5.956 -1.504 590 H LYS 77 H LYS 77 8.471 6.362 5.826 591 HA LYS 77 HA LYS 77 9.962 4.099 6.948 592 HB2 LYS 77 2HB LYS 77 9.289 4.931 9.161 593 HB3 LYS 77 1HB LYS 77 10.062 6.196 8.214 594 HG2 LYS 77 2HG LYS 77 7.918 7.238 7.751 595 HG3 LYS 77 1HG LYS 77 7.060 5.918 8.543 596 HD2 LYS 77 2HD LYS 77 8.986 7.814 9.938 597 HD3 LYS 77 1HD LYS 77 7.229 7.972 9.952 598 HE2 LYS 77 2HE LYS 77 7.005 5.835 11.120 599 HE3 LYS 77 1HE LYS 77 8.748 5.566 11.027 600 HZ1 LYS 77 1HZ LYS 77 7.441 7.798 12.489 601 HZ2 LYS 77 2HZ LYS 77 9.098 7.480 12.447 602 HZ3 LYS 77 3HZ LYS 77 8.049 6.394 13.202 603 H TYR 78 H TYR 78 6.719 4.884 5.940 604 HA TYR 78 HA TYR 78 5.455 2.744 7.463 605 HB2 TYR 78 2HB TYR 78 4.439 4.816 5.497 606 HB3 TYR 78 1HB TYR 78 3.445 3.405 5.853 607 HD1 TYR 78 HD1 TYR 78 5.025 6.404 7.400 608 HD2 TYR 78 HD2 TYR 78 2.221 3.242 7.931 609 HE1 TYR 78 HE1 TYR 78 4.199 7.499 9.421 610 HE2 TYR 78 HE2 TYR 78 1.388 4.340 9.963 611 HH TYR 78 HH TYR 78 2.213 7.546 10.805 612 H ILE 79 H ILE 79 7.535 2.515 5.002 613 HA ILE 79 HA ILE 79 6.282 0.707 3.216 614 HB ILE 79 HB ILE 79 8.402 1.739 2.585 615 HG12 ILE 79 2HG1 ILE 79 8.644 -1.297 2.847 616 HG13 ILE 79 1HG1 ILE 79 7.891 -0.419 1.522 617 HG21 ILE 79 1HG2 ILE 79 10.564 1.197 3.605 618 HG22 ILE 79 2HG2 ILE 79 9.768 0.168 4.796 619 HG23 ILE 79 3HG2 ILE 79 9.476 1.909 4.799 620 HD11 ILE 79 1HD1 ILE 79 10.829 -0.397 2.217 621 HD12 ILE 79 2HD1 ILE 79 10.076 0.486 0.886 622 HD13 ILE 79 3HD1 ILE 79 10.065 -1.275 0.895 623 H ILE 80 H ILE 80 5.320 -1.116 3.853 624 HA ILE 80 HA ILE 80 6.063 -2.387 6.376 625 HB ILE 80 HB ILE 80 3.676 -1.897 5.873 626 HG12 ILE 80 2HG1 ILE 80 4.155 -4.898 6.179 627 HG13 ILE 80 1HG1 ILE 80 4.347 -3.725 7.477 628 HG21 ILE 80 1HG2 ILE 80 2.381 -3.261 4.282 629 HG22 ILE 80 2HG2 ILE 80 3.867 -4.039 3.732 630 HG23 ILE 80 3HG2 ILE 80 3.624 -2.313 3.461 631 HD11 ILE 80 1HD1 ILE 80 2.228 -4.884 7.635 632 HD12 ILE 80 2HD1 ILE 80 1.773 -4.331 6.023 633 HD13 ILE 80 3HD1 ILE 80 1.976 -3.165 7.335 634 H GLY 81 H GLY 81 6.231 -2.959 2.915 635 HA2 GLY 81 2HA GLY 81 8.195 -4.987 3.127 636 HA3 GLY 81 1HA GLY 81 6.610 -5.740 2.889 637 H GLU 82 H GLU 82 7.343 -6.581 0.886 638 HA GLU 82 HA GLU 82 7.325 -4.611 -1.324 639 HB2 GLU 82 2HB GLU 82 8.654 -6.090 -2.680 640 HB3 GLU 82 1HB GLU 82 9.485 -5.897 -1.142 641 HG2 GLU 82 2HG GLU 82 8.740 -8.108 -0.410 642 HG3 GLU 82 1HG GLU 82 7.787 -8.302 -1.884 643 H LEU 83 H LEU 83 5.910 -4.938 -2.938 644 HA LEU 83 HA LEU 83 3.828 -6.932 -2.760 645 HB2 LEU 83 2HB LEU 83 3.786 -4.455 -3.708 646 HB3 LEU 83 1HB LEU 83 4.415 -5.175 -5.176 647 HG LEU 83 HG LEU 83 1.915 -4.759 -5.131 648 HD11 LEU 83 1HD1 LEU 83 2.652 -7.656 -5.568 649 HD12 LEU 83 2HD1 LEU 83 2.887 -6.348 -6.725 650 HD13 LEU 83 3HD1 LEU 83 1.258 -6.799 -6.235 651 HD21 LEU 83 1HD2 LEU 83 1.522 -5.391 -2.787 652 HD22 LEU 83 2HD2 LEU 83 1.860 -7.080 -3.182 653 HD23 LEU 83 3HD2 LEU 83 0.463 -6.267 -3.892 654 H HIS 84 H HIS 84 3.564 -8.695 -4.269 655 HA HIS 84 HA HIS 84 5.863 -10.117 -5.039 656 HB2 HIS 84 2HB HIS 84 2.917 -10.464 -5.633 657 HB3 HIS 84 1HB HIS 84 4.088 -11.483 -6.464 658 HD1 HIS 84 HD1 HIS 84 2.726 -13.387 -5.127 659 HD2 HIS 84 HD2 HIS 84 5.206 -10.936 -2.865 660 HE1 HIS 84 HE1 HIS 84 3.133 -14.633 -2.981 661 HE2 HIS 84 HE2 HIS 84 4.490 -13.057 -1.574 662 HA PRO 85 HA PRO 85 7.095 -8.200 -8.965 663 HB2 PRO 85 2HB PRO 85 8.018 -11.041 -9.468 664 HB3 PRO 85 1HB PRO 85 8.902 -9.513 -9.686 665 HG2 PRO 85 2HG PRO 85 9.433 -11.037 -7.598 666 HG3 PRO 85 1HG PRO 85 9.329 -9.271 -7.400 667 HD2 PRO 85 2HD PRO 85 7.318 -11.379 -6.644 668 HD3 PRO 85 1HD PRO 85 7.773 -9.891 -5.782 669 H ASP 86 H ASP 86 5.231 -11.186 -8.780 670 HA ASP 86 HA ASP 86 4.360 -11.245 -11.519 671 HB2 ASP 86 2HB ASP 86 4.445 -13.282 -10.105 672 HB3 ASP 86 1HB ASP 86 3.242 -12.599 -9.016 673 H ASP 87 H ASP 87 2.861 -10.326 -8.428 674 HA ASP 87 HA ASP 87 0.261 -9.833 -9.491 675 HB2 ASP 87 2HB ASP 87 1.567 -9.327 -6.804 676 HB3 ASP 87 1HB ASP 87 -0.028 -8.677 -7.135 677 H ARG 88 H ARG 88 3.052 -7.804 -8.959 678 HA ARG 88 HA ARG 88 1.707 -5.274 -9.054 679 HB2 ARG 88 2HB ARG 88 3.954 -4.294 -9.148 680 HB3 ARG 88 1HB ARG 88 3.860 -5.548 -7.926 681 HG2 ARG 88 2HG ARG 88 5.905 -6.077 -8.836 682 HG3 ARG 88 1HG ARG 88 4.870 -7.073 -9.852 683 HD2 ARG 88 2HD ARG 88 4.897 -5.144 -11.540 684 HD3 ARG 88 1HD ARG 88 6.174 -4.426 -10.554 685 HE ARG 88 HE ARG 88 7.158 -6.881 -10.997 686 HH11 ARG 88 1HH1 ARG 88 5.771 -4.550 -13.252 687 HH12 ARG 88 2HH1 ARG 88 6.733 -5.101 -14.585 688 HH21 ARG 88 1HH2 ARG 88 8.399 -7.580 -12.763 689 HH22 ARG 88 2HH2 ARG 88 8.215 -6.812 -14.306 690 H SER 89 H SER 89 2.846 -7.459 -11.494 691 HA SER 89 HA SER 89 2.434 -5.505 -13.665 692 HB2 SER 89 2HB SER 89 4.477 -6.929 -13.721 693 HB3 SER 89 1HB SER 89 3.477 -8.378 -13.744 694 HG SER 89 HG SER 89 2.685 -6.751 -15.718 695 H LYS 90 H LYS 90 0.947 -8.155 -12.044 696 HA LYS 90 HA LYS 90 -0.757 -9.088 -14.169 697 HB2 LYS 90 2HB LYS 90 0.130 -10.580 -12.417 698 HB3 LYS 90 1HB LYS 90 -0.719 -9.669 -11.179 699 HG2 LYS 90 2HG LYS 90 -2.886 -10.431 -12.087 700 HG3 LYS 90 1HG LYS 90 -2.044 -11.307 -13.375 701 HD2 LYS 90 2HD LYS 90 -2.674 -12.859 -11.560 702 HD3 LYS 90 1HD LYS 90 -0.918 -12.734 -11.678 703 HE2 LYS 90 2HE LYS 90 -1.053 -11.001 -9.799 704 HE3 LYS 90 1HE LYS 90 -2.732 -11.486 -9.593 705 HZ1 LYS 90 1HZ LYS 90 -0.354 -13.250 -9.319 706 HZ2 LYS 90 2HZ LYS 90 -1.962 -13.750 -9.154 707 HZ3 LYS 90 3HZ LYS 90 -1.305 -12.645 -8.054 708 H ILE 91 H ILE 91 -1.526 -7.696 -10.972 709 HA ILE 91 HA ILE 91 -4.116 -6.682 -11.930 710 HB ILE 91 HB ILE 91 -3.100 -6.610 -9.047 711 HG12 ILE 91 2HG1 ILE 91 -4.385 -8.993 -10.453 712 HG13 ILE 91 1HG1 ILE 91 -2.741 -8.917 -9.849 713 HG21 ILE 91 1HG2 ILE 91 -5.926 -6.867 -10.175 714 HG22 ILE 91 2HG2 ILE 91 -5.215 -5.394 -9.514 715 HG23 ILE 91 3HG2 ILE 91 -5.502 -6.779 -8.463 716 HD11 ILE 91 1HD1 ILE 91 -5.243 -8.878 -8.175 717 HD12 ILE 91 2HD1 ILE 91 -3.590 -8.769 -7.562 718 HD13 ILE 91 3HD1 ILE 91 -4.129 -10.228 -8.392 719 H ALA 92 H ALA 92 -1.431 -5.493 -12.597 720 HA ALA 92 HA ALA 92 -0.803 -3.126 -11.290 721 HB1 ALA 92 1HB ALA 92 0.302 -2.479 -13.391 722 HB2 ALA 92 2HB ALA 92 -0.596 -3.725 -14.263 723 HB3 ALA 92 3HB ALA 92 0.584 -4.183 -13.037 724 H LYS 93 H LYS 93 -3.274 -3.784 -13.688 725 HA LYS 93 HA LYS 93 -4.370 -1.050 -13.421 726 HB2 LYS 93 2HB LYS 93 -4.917 -3.095 -15.631 727 HB3 LYS 93 1HB LYS 93 -5.581 -1.470 -15.535 728 HG2 LYS 93 2HG LYS 93 -3.879 -1.246 -17.115 729 HG3 LYS 93 1HG LYS 93 -3.116 -0.668 -15.635 730 HD2 LYS 93 2HD LYS 93 -2.101 -2.969 -15.355 731 HD3 LYS 93 1HD LYS 93 -2.746 -3.388 -16.944 732 HE2 LYS 93 2HE LYS 93 -0.783 -1.140 -16.383 733 HE3 LYS 93 1HE LYS 93 -0.366 -2.720 -17.043 734 HZ1 LYS 93 1HZ LYS 93 -1.687 -2.252 -18.983 735 HZ2 LYS 93 2HZ LYS 93 -0.571 -1.002 -18.749 736 HZ3 LYS 93 3HZ LYS 93 -2.194 -0.771 -18.338 737 HA PRO 94 HA PRO 94 -7.320 -3.738 -11.063 738 HB2 PRO 94 2HB PRO 94 -7.946 -1.364 -9.434 739 HB3 PRO 94 1HB PRO 94 -7.140 -2.862 -8.935 740 HG2 PRO 94 2HG PRO 94 -5.868 -0.451 -9.076 741 HG3 PRO 94 1HG PRO 94 -5.032 -2.009 -9.267 742 HD2 PRO 94 2HD PRO 94 -5.957 -0.082 -11.397 743 HD3 PRO 94 1HD PRO 94 -4.437 -1.001 -11.284 744 H SER 95 H SER 95 -9.520 -3.896 -11.392 745 HA SER 95 HA SER 95 -10.677 -2.271 -13.480 746 HB2 SER 95 2HB SER 95 -10.994 -4.705 -13.529 747 HB3 SER 95 1HB SER 95 -11.760 -4.681 -11.941 748 HG SER 95 HG SER 95 -13.507 -3.672 -12.803 749 H GLU 96 H GLU 96 -11.150 -2.807 -10.028 750 HA GLU 96 HA GLU 96 -13.473 -0.997 -9.916 751 HB2 GLU 96 2HB GLU 96 -12.305 -2.773 -7.732 752 HB3 GLU 96 1HB GLU 96 -13.833 -1.902 -7.667 753 HG2 GLU 96 2HG GLU 96 -13.142 -4.259 -9.437 754 HG3 GLU 96 1HG GLU 96 -14.296 -4.229 -8.107 755 H THR 97 H THR 97 -10.807 -0.025 -10.430 756 HA THR 97 HA THR 97 -10.687 2.079 -8.418 757 HB THR 97 HB THR 97 -8.310 0.371 -9.245 758 HG1 THR 97 HG1 THR 97 -9.834 0.685 -6.937 759 HG21 THR 97 1HG2 THR 97 -7.564 2.711 -9.322 760 HG22 THR 97 2HG2 THR 97 -6.872 1.897 -7.918 761 HG23 THR 97 3HG2 THR 97 -8.235 2.999 -7.715 762 H LEU 98 H LEU 98 -9.369 0.779 -11.430 763 HA LEU 98 HA LEU 98 -9.028 1.506 -13.489 764 HB2 LEU 98 2HB LEU 98 -11.392 2.345 -13.317 765 HB3 LEU 98 1HB LEU 98 -10.765 3.909 -12.829 766 HG LEU 98 HG LEU 98 -9.654 4.168 -15.041 767 HD11 LEU 98 1HD1 LEU 98 -9.229 1.806 -15.558 768 HD12 LEU 98 2HD1 LEU 98 -10.081 2.596 -16.880 769 HD13 LEU 98 3HD1 LEU 98 -10.959 1.528 -15.782 770 HD21 LEU 98 1HD2 LEU 98 -12.614 3.525 -15.281 771 HD22 LEU 98 2HD2 LEU 98 -11.675 4.518 -16.398 772 HD23 LEU 98 3HD2 LEU 98 -11.927 5.060 -14.741 Start of MODEL 19 1 H1 ALA 1 1H ALA 1 13.326 -20.842 12.895 2 H2 ALA 1 2H ALA 1 11.950 -21.606 13.508 3 H3 ALA 1 3H ALA 1 12.310 -20.021 13.966 4 HA ALA 1 HA ALA 1 11.643 -20.898 11.226 5 HB1 ALA 1 1HB ALA 1 9.705 -21.089 12.725 6 HB2 ALA 1 2HB ALA 1 9.470 -19.758 11.590 7 HB3 ALA 1 3HB ALA 1 9.931 -19.422 13.262 8 H GLU 2 H GLU 2 13.161 -19.696 10.114 9 HA GLU 2 HA GLU 2 12.966 -16.745 10.360 10 HB2 GLU 2 2HB GLU 2 15.268 -17.571 10.804 11 HB3 GLU 2 1HB GLU 2 15.286 -18.382 9.238 12 HG2 GLU 2 2HG GLU 2 15.024 -16.163 8.119 13 HG3 GLU 2 1HG GLU 2 15.099 -15.384 9.695 14 H GLN 3 H GLN 3 11.370 -16.246 8.943 15 HA GLN 3 HA GLN 3 11.573 -17.146 6.131 16 HB2 GLN 3 2HB GLN 3 9.347 -17.309 7.319 17 HB3 GLN 3 1HB GLN 3 9.343 -15.561 7.506 18 HG2 GLN 3 2HG GLN 3 7.895 -16.281 5.659 19 HG3 GLN 3 1HG GLN 3 9.220 -15.280 5.073 20 HE21 GLN 3 1HE2 GLN 3 7.895 -18.528 5.151 21 HE22 GLN 3 2HE2 GLN 3 8.861 -19.164 3.866 22 H SER 4 H SER 4 11.367 -15.440 4.465 23 HA SER 4 HA SER 4 13.197 -13.332 4.633 24 HB2 SER 4 2HB SER 4 12.174 -12.626 2.452 25 HB3 SER 4 1HB SER 4 12.508 -14.360 2.516 26 HG SER 4 HG SER 4 9.988 -13.093 2.932 27 H ASP 5 H ASP 5 9.784 -13.490 5.302 28 HA ASP 5 HA ASP 5 8.925 -10.876 5.025 29 HB2 ASP 5 2HB ASP 5 7.932 -13.144 6.794 30 HB3 ASP 5 1HB ASP 5 7.081 -11.607 6.666 31 H LYS 6 H LYS 6 10.805 -12.209 7.588 32 HA LYS 6 HA LYS 6 10.503 -10.437 9.696 33 HB2 LYS 6 2HB LYS 6 12.908 -11.938 8.615 34 HB3 LYS 6 1HB LYS 6 13.041 -10.937 10.050 35 HG2 LYS 6 2HG LYS 6 11.372 -12.298 11.205 36 HG3 LYS 6 1HG LYS 6 11.121 -13.268 9.748 37 HD2 LYS 6 2HD LYS 6 13.324 -14.211 9.882 38 HD3 LYS 6 1HD LYS 6 13.829 -13.057 11.120 39 HE2 LYS 6 2HE LYS 6 11.681 -15.164 11.508 40 HE3 LYS 6 1HE LYS 6 13.365 -15.338 12.004 41 HZ1 LYS 6 1HZ LYS 6 11.407 -13.355 13.022 42 HZ2 LYS 6 2HZ LYS 6 13.051 -13.344 13.413 43 HZ3 LYS 6 3HZ LYS 6 12.084 -14.651 13.868 44 H ASP 7 H ASP 7 12.595 -10.080 6.837 45 HA ASP 7 HA ASP 7 13.158 -7.265 7.432 46 HB2 ASP 7 2HB ASP 7 14.998 -8.644 6.531 47 HB3 ASP 7 1HB ASP 7 14.041 -9.049 5.112 48 H VAL 8 H VAL 8 11.502 -9.252 5.003 49 HA VAL 8 HA VAL 8 10.058 -6.943 3.909 50 HB VAL 8 HB VAL 8 12.136 -6.922 2.641 51 HG11 VAL 8 1HG1 VAL 8 12.950 -8.778 1.261 52 HG12 VAL 8 2HG1 VAL 8 11.645 -9.813 1.847 53 HG13 VAL 8 3HG1 VAL 8 12.885 -9.243 2.963 54 HG21 VAL 8 1HG2 VAL 8 9.892 -8.044 0.931 55 HG22 VAL 8 2HG2 VAL 8 11.273 -7.112 0.347 56 HG23 VAL 8 3HG2 VAL 8 10.091 -6.359 1.417 57 H LYS 9 H LYS 9 7.988 -7.587 3.873 58 HA LYS 9 HA LYS 9 7.200 -10.375 3.699 59 HB2 LYS 9 2HB LYS 9 5.603 -7.810 4.026 60 HB3 LYS 9 1HB LYS 9 4.855 -9.400 3.916 61 HG2 LYS 9 2HG LYS 9 6.376 -10.029 5.918 62 HG3 LYS 9 1HG LYS 9 6.592 -8.287 6.120 63 HD2 LYS 9 2HD LYS 9 4.210 -7.967 6.468 64 HD3 LYS 9 1HD LYS 9 3.869 -9.641 6.008 65 HE2 LYS 9 2HE LYS 9 5.202 -10.391 7.998 66 HE3 LYS 9 1HE LYS 9 5.333 -8.701 8.494 67 HZ1 LYS 9 1HZ LYS 9 3.526 -9.648 9.654 68 HZ2 LYS 9 2HZ LYS 9 2.879 -10.335 8.258 69 HZ3 LYS 9 3HZ LYS 9 2.844 -8.660 8.463 70 H TYR 10 H TYR 10 6.487 -11.415 1.979 71 HA TYR 10 HA TYR 10 6.387 -10.134 -0.635 72 HB2 TYR 10 2HB TYR 10 6.383 -13.013 0.342 73 HB3 TYR 10 1HB TYR 10 5.930 -12.638 -1.317 74 HD1 TYR 10 HD1 TYR 10 7.643 -12.845 -2.897 75 HD2 TYR 10 HD2 TYR 10 8.690 -11.684 1.082 76 HE1 TYR 10 HE1 TYR 10 10.013 -12.761 -3.548 77 HE2 TYR 10 HE2 TYR 10 11.057 -11.610 0.436 78 HH TYR 10 HH TYR 10 12.101 -11.717 -2.815 79 H TYR 11 H TYR 11 4.603 -8.955 -0.792 80 HA TYR 11 HA TYR 11 1.944 -9.944 -0.005 81 HB2 TYR 11 2HB TYR 11 3.170 -7.248 -0.565 82 HB3 TYR 11 1HB TYR 11 1.466 -7.422 -0.954 83 HD1 TYR 11 HD1 TYR 11 3.844 -8.058 1.920 84 HD2 TYR 11 HD2 TYR 11 -0.095 -6.949 0.671 85 HE1 TYR 11 HE1 TYR 11 3.219 -7.585 4.256 86 HE2 TYR 11 HE2 TYR 11 -0.703 -6.479 2.986 87 HH TYR 11 HH TYR 11 -0.066 -6.966 5.185 88 H THR 12 H THR 12 0.228 -10.136 -1.420 89 HA THR 12 HA THR 12 0.743 -9.828 -4.319 90 HB THR 12 HB THR 12 -1.428 -10.974 -4.677 91 HG1 THR 12 HG1 THR 12 -2.720 -11.512 -3.054 92 HG21 THR 12 1HG2 THR 12 -0.853 -13.225 -3.867 93 HG22 THR 12 2HG2 THR 12 0.349 -12.532 -2.776 94 HG23 THR 12 3HG2 THR 12 0.566 -12.404 -4.523 95 H LEU 13 H LEU 13 -0.390 -8.324 -5.468 96 HA LEU 13 HA LEU 13 -1.646 -6.117 -4.157 97 HB2 LEU 13 2HB LEU 13 -0.333 -6.036 -6.372 98 HB3 LEU 13 1HB LEU 13 -1.751 -6.720 -7.148 99 HG LEU 13 HG LEU 13 -3.070 -4.718 -6.567 100 HD11 LEU 13 1HD1 LEU 13 -0.552 -3.673 -5.229 101 HD12 LEU 13 2HD1 LEU 13 -2.066 -4.115 -4.432 102 HD13 LEU 13 3HD1 LEU 13 -2.021 -2.740 -5.529 103 HD21 LEU 13 1HD2 LEU 13 -0.422 -3.969 -7.862 104 HD22 LEU 13 2HD2 LEU 13 -1.937 -3.072 -8.002 105 HD23 LEU 13 3HD2 LEU 13 -1.810 -4.690 -8.684 106 H GLU 14 H GLU 14 -2.659 -9.157 -5.355 107 HA GLU 14 HA GLU 14 -5.454 -8.761 -5.651 108 HB2 GLU 14 2HB GLU 14 -4.151 -10.667 -6.600 109 HB3 GLU 14 1HB GLU 14 -3.902 -11.300 -4.975 110 HG2 GLU 14 2HG GLU 14 -6.297 -11.703 -4.723 111 HG3 GLU 14 1HG GLU 14 -6.622 -10.948 -6.285 112 H GLU 15 H GLU 15 -3.392 -9.577 -2.878 113 HA GLU 15 HA GLU 15 -5.434 -10.029 -0.941 114 HB2 GLU 15 2HB GLU 15 -3.027 -10.625 -0.589 115 HB3 GLU 15 1HB GLU 15 -2.621 -8.913 -0.546 116 HG2 GLU 15 2HG GLU 15 -4.246 -8.757 1.451 117 HG3 GLU 15 1HG GLU 15 -4.192 -10.517 1.479 118 H ILE 16 H ILE 16 -3.571 -7.196 -1.922 119 HA ILE 16 HA ILE 16 -4.704 -5.286 -0.161 120 HB ILE 16 HB ILE 16 -3.293 -4.836 -2.837 121 HG12 ILE 16 2HG1 ILE 16 -2.069 -4.986 -0.039 122 HG13 ILE 16 1HG1 ILE 16 -1.935 -6.240 -1.266 123 HG21 ILE 16 1HG2 ILE 16 -2.717 -2.610 -1.944 124 HG22 ILE 16 2HG2 ILE 16 -3.631 -2.953 -0.475 125 HG23 ILE 16 3HG2 ILE 16 -4.469 -2.827 -2.023 126 HD11 ILE 16 1HD1 ILE 16 -0.798 -3.459 -1.414 127 HD12 ILE 16 2HD1 ILE 16 -0.725 -4.657 -2.710 128 HD13 ILE 16 3HD1 ILE 16 0.084 -4.967 -1.173 129 H GLN 17 H GLN 17 -5.528 -6.461 -3.365 130 HA GLN 17 HA GLN 17 -7.285 -4.514 -4.346 131 HB2 GLN 17 2HB GLN 17 -6.411 -6.302 -5.750 132 HB3 GLN 17 1HB GLN 17 -7.161 -7.537 -4.749 133 HG2 GLN 17 2HG GLN 17 -9.402 -6.729 -5.520 134 HG3 GLN 17 1HG GLN 17 -8.580 -5.583 -6.583 135 HE21 GLN 17 1HE2 GLN 17 -9.626 -6.640 -8.384 136 HE22 GLN 17 2HE2 GLN 17 -9.029 -8.143 -8.999 137 H LYS 18 H LYS 18 -7.735 -6.935 -1.886 138 HA LYS 18 HA LYS 18 -10.636 -6.787 -1.776 139 HB2 LYS 18 2HB LYS 18 -8.636 -8.074 0.138 140 HB3 LYS 18 1HB LYS 18 -10.379 -8.335 0.144 141 HG2 LYS 18 2HG LYS 18 -10.254 -9.377 -2.077 142 HG3 LYS 18 1HG LYS 18 -8.517 -9.077 -2.133 143 HD2 LYS 18 2HD LYS 18 -8.193 -10.598 -0.199 144 HD3 LYS 18 1HD LYS 18 -9.933 -10.891 -0.138 145 HE2 LYS 18 2HE LYS 18 -8.098 -11.606 -2.456 146 HE3 LYS 18 1HE LYS 18 -8.759 -12.734 -1.273 147 HZ1 LYS 18 1HZ LYS 18 -10.335 -11.129 -3.210 148 HZ2 LYS 18 2HZ LYS 18 -10.985 -12.175 -2.053 149 HZ3 LYS 18 3HZ LYS 18 -10.031 -12.790 -3.304 150 H HIS 19 H HIS 19 -8.645 -4.433 -1.111 151 HA HIS 19 HA HIS 19 -8.744 -3.561 1.498 152 HB2 HIS 19 2HB HIS 19 -8.610 -1.191 0.464 153 HB3 HIS 19 1HB HIS 19 -7.379 -2.338 -0.048 154 HD1 HIS 19 HD1 HIS 19 -7.088 -2.590 -2.567 155 HD2 HIS 19 HD2 HIS 19 -10.722 -0.839 -1.610 156 HE1 HIS 19 HE1 HIS 19 -8.147 -1.989 -4.760 157 HE2 HIS 19 HE2 HIS 19 -10.341 -0.922 -4.157 158 H LYS 20 H LYS 20 -10.553 -3.589 2.778 159 HA LYS 20 HA LYS 20 -12.824 -1.874 2.058 160 HB2 LYS 20 2HB LYS 20 -14.521 -3.622 2.382 161 HB3 LYS 20 1HB LYS 20 -13.433 -4.066 1.073 162 HG2 LYS 20 2HG LYS 20 -12.180 -5.539 2.696 163 HG3 LYS 20 1HG LYS 20 -13.426 -5.185 3.893 164 HD2 LYS 20 2HD LYS 20 -13.891 -7.340 2.854 165 HD3 LYS 20 1HD LYS 20 -15.136 -6.185 2.375 166 HE2 LYS 20 2HE LYS 20 -14.019 -5.874 0.206 167 HE3 LYS 20 1HE LYS 20 -12.745 -6.993 0.690 168 HZ1 LYS 20 1HZ LYS 20 -14.486 -7.982 -0.738 169 HZ2 LYS 20 2HZ LYS 20 -15.612 -7.742 0.495 170 HZ3 LYS 20 3HZ LYS 20 -14.301 -8.778 0.738 171 H ASP 21 H ASP 21 -10.589 -2.421 4.212 172 HA ASP 21 HA ASP 21 -12.272 -1.674 6.498 173 HB2 ASP 21 2HB ASP 21 -11.608 -4.286 6.337 174 HB3 ASP 21 1HB ASP 21 -10.088 -3.713 7.006 175 H SER 22 H SER 22 -10.963 -0.768 8.282 176 HA SER 22 HA SER 22 -9.246 1.257 7.313 177 HB2 SER 22 2HB SER 22 -8.933 1.742 9.818 178 HB3 SER 22 1HB SER 22 -10.597 1.744 9.249 179 HG SER 22 HG SER 22 -9.718 0.385 11.239 180 H LYS 23 H LYS 23 -8.665 -1.735 9.193 181 HA LYS 23 HA LYS 23 -5.800 -1.228 9.303 182 HB2 LYS 23 2HB LYS 23 -5.517 -3.185 10.619 183 HB3 LYS 23 1HB LYS 23 -6.933 -2.366 11.226 184 HG2 LYS 23 2HG LYS 23 -7.193 -4.690 9.315 185 HG3 LYS 23 1HG LYS 23 -6.927 -4.958 11.039 186 HD2 LYS 23 2HD LYS 23 -8.981 -3.573 11.500 187 HD3 LYS 23 1HD LYS 23 -9.269 -3.511 9.754 188 HE2 LYS 23 2HE LYS 23 -9.546 -5.934 9.668 189 HE3 LYS 23 1HE LYS 23 -9.094 -6.086 11.371 190 HZ1 LYS 23 1HZ LYS 23 -11.065 -4.860 11.987 191 HZ2 LYS 23 2HZ LYS 23 -11.502 -6.185 11.030 192 HZ3 LYS 23 3HZ LYS 23 -11.484 -4.631 10.367 193 H SER 24 H SER 24 -7.885 -2.671 7.051 194 HA SER 24 HA SER 24 -5.735 -4.339 5.884 195 HB2 SER 24 2HB SER 24 -8.729 -4.581 5.397 196 HB3 SER 24 1HB SER 24 -7.467 -5.741 4.982 197 HG SER 24 HG SER 24 -7.090 -5.781 7.370 198 H THR 25 H THR 25 -4.965 -2.231 5.129 199 HA THR 25 HA THR 25 -5.778 -1.739 2.386 200 HB THR 25 HB THR 25 -5.778 0.526 4.444 201 HG1 THR 25 HG1 THR 25 -7.766 -0.557 4.356 202 HG21 THR 25 1HG2 THR 25 -4.709 1.275 2.343 203 HG22 THR 25 2HG2 THR 25 -6.289 2.025 2.548 204 HG23 THR 25 3HG2 THR 25 -6.096 0.686 1.420 205 H TRP 26 H TRP 26 -3.996 -1.546 1.234 206 HA TRP 26 HA TRP 26 -1.487 -0.460 2.329 207 HB2 TRP 26 2HB TRP 26 -1.758 -3.074 0.758 208 HB3 TRP 26 1HB TRP 26 -0.232 -2.303 1.177 209 HD1 TRP 26 HD TRP 26 0.597 -2.526 3.739 210 HE1 TRP 26 HE1 TRP 26 -0.112 -4.064 5.668 211 HE3 TRP 26 HE3 TRP 26 -3.741 -4.347 1.769 212 HZ2 TRP 26 HZ2 TRP 26 -2.216 -5.838 6.271 213 HZ3 TRP 26 HZ3 TRP 26 -5.045 -5.979 3.072 214 HH2 TRP 26 HH TRP 26 -4.295 -6.708 5.285 215 H VAL 27 H VAL 27 0.024 0.116 0.533 216 HA VAL 27 HA VAL 27 -1.176 0.527 -2.126 217 HB VAL 27 HB VAL 27 -0.143 2.859 -2.175 218 HG11 VAL 27 1HG1 VAL 27 -2.561 2.601 -2.031 219 HG12 VAL 27 2HG1 VAL 27 -2.043 3.984 -1.068 220 HG13 VAL 27 3HG1 VAL 27 -2.480 2.469 -0.271 221 HG21 VAL 27 1HG2 VAL 27 0.274 4.012 -0.026 222 HG22 VAL 27 2HG2 VAL 27 1.359 2.640 -0.249 223 HG23 VAL 27 3HG2 VAL 27 -0.018 2.501 0.845 224 H ILE 28 H ILE 28 0.436 0.801 -3.824 225 HA ILE 28 HA ILE 28 3.179 -0.042 -3.076 226 HB ILE 28 HB ILE 28 3.277 -1.766 -4.731 227 HG12 ILE 28 2HG1 ILE 28 0.799 -2.284 -5.910 228 HG13 ILE 28 1HG1 ILE 28 0.817 -0.530 -5.919 229 HG21 ILE 28 1HG2 ILE 28 1.499 -3.339 -3.948 230 HG22 ILE 28 2HG2 ILE 28 0.682 -1.989 -3.169 231 HG23 ILE 28 3HG2 ILE 28 2.297 -2.472 -2.643 232 HD11 ILE 28 1HD1 ILE 28 1.619 -1.488 -8.018 233 HD12 ILE 28 2HD1 ILE 28 2.909 -2.322 -7.158 234 HD13 ILE 28 3HD1 ILE 28 2.897 -0.557 -7.229 235 H LEU 29 H LEU 29 4.765 1.063 -4.135 236 HA LEU 29 HA LEU 29 3.925 3.302 -5.804 237 HB2 LEU 29 2HB LEU 29 6.024 4.266 -5.438 238 HB3 LEU 29 1HB LEU 29 5.671 3.446 -3.934 239 HG LEU 29 HG LEU 29 7.609 2.425 -6.061 240 HD11 LEU 29 1HD1 LEU 29 8.195 3.766 -3.399 241 HD12 LEU 29 2HD1 LEU 29 8.467 4.458 -4.999 242 HD13 LEU 29 3HD1 LEU 29 9.396 3.054 -4.480 243 HD21 LEU 29 1HD2 LEU 29 7.076 1.365 -3.265 244 HD22 LEU 29 2HD2 LEU 29 8.345 0.805 -4.354 245 HD23 LEU 29 3HD2 LEU 29 6.652 0.568 -4.781 246 H HIS 30 H HIS 30 5.242 0.185 -6.284 247 HA HIS 30 HA HIS 30 5.333 0.170 -9.088 248 HB2 HIS 30 2HB HIS 30 7.249 1.690 -8.905 249 HB3 HIS 30 1HB HIS 30 8.050 0.622 -7.758 250 HD1 HIS 30 HD1 HIS 30 9.926 -0.546 -8.844 251 HD2 HIS 30 HD2 HIS 30 6.787 0.028 -11.500 252 HE1 HIS 30 HE1 HIS 30 10.691 -1.541 -11.013 253 HE2 HIS 30 HE2 HIS 30 8.852 -1.008 -12.647 254 H HIS 31 H HIS 31 7.453 -1.122 -6.472 255 HA HIS 31 HA HIS 31 6.544 -3.882 -7.002 256 HB2 HIS 31 2HB HIS 31 8.540 -3.612 -8.417 257 HB3 HIS 31 1HB HIS 31 9.469 -2.976 -7.068 258 HD1 HIS 31 HD1 HIS 31 11.001 -4.660 -6.077 259 HD2 HIS 31 HD2 HIS 31 7.623 -6.455 -7.689 260 HE1 HIS 31 HE1 HIS 31 11.252 -7.112 -5.616 261 HE2 HIS 31 HE2 HIS 31 9.056 -8.085 -6.298 262 H LYS 32 H LYS 32 7.228 -1.471 -4.708 263 HA LYS 32 HA LYS 32 7.367 -3.530 -2.570 264 HB2 LYS 32 2HB LYS 32 8.535 -0.722 -2.531 265 HB3 LYS 32 1HB LYS 32 8.388 -1.745 -1.102 266 HG2 LYS 32 2HG LYS 32 9.826 -3.458 -2.220 267 HG3 LYS 32 1HG LYS 32 10.032 -2.355 -3.579 268 HD2 LYS 32 2HD LYS 32 10.931 -1.841 -0.719 269 HD3 LYS 32 1HD LYS 32 11.971 -2.299 -2.064 270 HE2 LYS 32 2HE LYS 32 11.445 -0.194 -3.212 271 HE3 LYS 32 1HE LYS 32 10.355 0.267 -1.899 272 HZ1 LYS 32 1HZ LYS 32 12.516 1.329 -1.676 273 HZ2 LYS 32 2HZ LYS 32 13.284 -0.177 -1.645 274 HZ3 LYS 32 3HZ LYS 32 12.250 0.266 -0.386 275 H VAL 33 H VAL 33 5.988 -3.440 -0.929 276 HA VAL 33 HA VAL 33 3.594 -1.757 -1.231 277 HB VAL 33 HB VAL 33 3.214 -4.174 -1.295 278 HG11 VAL 33 1HG1 VAL 33 4.415 -4.304 1.490 279 HG12 VAL 33 2HG1 VAL 33 5.107 -4.973 0.012 280 HG13 VAL 33 3HG1 VAL 33 3.608 -5.633 0.655 281 HG21 VAL 33 1HG2 VAL 33 2.121 -2.977 1.277 282 HG22 VAL 33 2HG2 VAL 33 1.461 -4.378 0.427 283 HG23 VAL 33 3HG2 VAL 33 1.432 -2.790 -0.339 284 H TYR 34 H TYR 34 2.721 -0.636 0.450 285 HA TYR 34 HA TYR 34 4.348 -0.122 2.864 286 HB2 TYR 34 2HB TYR 34 2.675 1.877 1.256 287 HB3 TYR 34 1HB TYR 34 3.566 2.239 2.736 288 HD1 TYR 34 HD1 TYR 34 3.863 1.561 -0.878 289 HD2 TYR 34 HD2 TYR 34 6.010 2.422 2.705 290 HE1 TYR 34 HE1 TYR 34 5.858 2.081 -2.199 291 HE2 TYR 34 HE2 TYR 34 8.005 2.942 1.380 292 HH TYR 34 HH TYR 34 8.938 2.451 -0.797 293 H ASP 35 H ASP 35 3.190 0.219 4.725 294 HA ASP 35 HA ASP 35 0.575 -1.053 4.844 295 HB2 ASP 35 2HB ASP 35 2.445 -1.699 6.371 296 HB3 ASP 35 1HB ASP 35 2.448 -0.077 7.045 297 H LEU 36 H LEU 36 -0.929 0.349 4.141 298 HA LEU 36 HA LEU 36 -0.615 3.218 4.437 299 HB2 LEU 36 2HB LEU 36 -1.318 1.920 2.335 300 HB3 LEU 36 1HB LEU 36 -2.888 1.721 3.077 301 HG LEU 36 HG LEU 36 -2.730 3.538 1.330 302 HD11 LEU 36 1HD1 LEU 36 -4.534 3.579 3.000 303 HD12 LEU 36 2HD1 LEU 36 -4.080 5.174 2.411 304 HD13 LEU 36 3HD1 LEU 36 -3.551 4.643 4.009 305 HD21 LEU 36 1HD2 LEU 36 -1.671 5.669 1.843 306 HD22 LEU 36 2HD2 LEU 36 -0.485 4.368 1.853 307 HD23 LEU 36 3HD2 LEU 36 -1.073 5.031 3.377 308 H THR 37 H THR 37 -2.403 0.702 6.023 309 HA THR 37 HA THR 37 -4.602 1.901 7.105 310 HB THR 37 HB THR 37 -4.083 -0.427 7.624 311 HG1 THR 37 HG1 THR 37 -5.345 1.049 9.154 312 HG21 THR 37 1HG2 THR 37 -2.458 -1.022 9.363 313 HG22 THR 37 2HG2 THR 37 -1.961 0.665 9.490 314 HG23 THR 37 3HG2 THR 37 -1.660 -0.237 8.001 315 H LYS 38 H LYS 38 -1.269 2.603 8.020 316 HA LYS 38 HA LYS 38 -1.820 4.085 10.370 317 HB2 LYS 38 2HB LYS 38 0.486 3.195 9.182 318 HB3 LYS 38 1HB LYS 38 0.571 4.885 8.734 319 HG2 LYS 38 2HG LYS 38 0.453 3.762 11.558 320 HG3 LYS 38 1HG LYS 38 1.870 4.419 10.757 321 HD2 LYS 38 2HD LYS 38 1.283 6.218 12.099 322 HD3 LYS 38 1HD LYS 38 0.406 6.633 10.629 323 HE2 LYS 38 2HE LYS 38 -0.988 6.996 12.618 324 HE3 LYS 38 1HE LYS 38 -1.672 5.711 11.624 325 HZ1 LYS 38 1HZ LYS 38 -1.745 5.112 13.936 326 HZ2 LYS 38 2HZ LYS 38 -0.088 5.367 14.116 327 HZ3 LYS 38 3HZ LYS 38 -0.649 4.095 13.150 328 H PHE 39 H PHE 39 -1.264 5.114 6.976 329 HA PHE 39 HA PHE 39 -1.476 7.867 7.213 330 HB2 PHE 39 2HB PHE 39 -1.909 5.935 4.943 331 HB3 PHE 39 1HB PHE 39 -2.531 7.562 4.711 332 HD1 PHE 39 HD1 PHE 39 0.514 5.532 4.964 333 HD2 PHE 39 HD2 PHE 39 -1.036 9.494 4.660 334 HE1 PHE 39 HE1 PHE 39 2.734 6.364 4.312 335 HE2 PHE 39 HE2 PHE 39 1.173 10.320 4.018 336 HZ PHE 39 HZ PHE 39 3.062 8.761 3.827 337 H LEU 40 H LEU 40 -4.137 5.592 6.503 338 HA LEU 40 HA LEU 40 -6.095 7.601 6.130 339 HB2 LEU 40 2HB LEU 40 -7.742 5.743 6.149 340 HB3 LEU 40 1HB LEU 40 -6.395 5.493 5.065 341 HG LEU 40 HG LEU 40 -5.456 4.099 7.206 342 HD11 LEU 40 1HD1 LEU 40 -7.208 2.813 8.280 343 HD12 LEU 40 2HD1 LEU 40 -8.452 3.730 7.427 344 HD13 LEU 40 3HD1 LEU 40 -7.413 4.532 8.607 345 HD21 LEU 40 1HD2 LEU 40 -6.232 2.034 6.127 346 HD22 LEU 40 2HD2 LEU 40 -5.614 3.191 4.953 347 HD23 LEU 40 3HD2 LEU 40 -7.355 2.965 5.128 348 H GLU 41 H GLU 41 -5.226 5.705 9.017 349 HA GLU 41 HA GLU 41 -7.237 6.915 10.693 350 HB2 GLU 41 2HB GLU 41 -4.722 5.358 11.453 351 HB3 GLU 41 1HB GLU 41 -5.985 5.843 12.582 352 HG2 GLU 41 2HG GLU 41 -7.623 4.462 11.285 353 HG3 GLU 41 1HG GLU 41 -6.296 3.915 10.261 354 H GLU 42 H GLU 42 -4.096 7.935 9.615 355 HA GLU 42 HA GLU 42 -3.361 9.334 12.028 356 HB2 GLU 42 2HB GLU 42 -1.697 8.255 10.536 357 HB3 GLU 42 1HB GLU 42 -2.060 9.423 9.276 358 HG2 GLU 42 2HG GLU 42 0.038 9.925 10.474 359 HG3 GLU 42 1HG GLU 42 -1.140 11.225 10.615 360 H TRP 43 H TRP 43 -3.949 10.600 8.662 361 HA TRP 43 HA TRP 43 -4.558 13.228 9.897 362 HB2 TRP 43 2HB TRP 43 -3.366 12.550 7.206 363 HB3 TRP 43 1HB TRP 43 -4.244 14.062 7.398 364 HD1 TRP 43 HD TRP 43 -1.709 12.464 9.883 365 HE1 TRP 43 HE1 TRP 43 0.189 14.134 10.289 366 HE3 TRP 43 HE3 TRP 43 -3.113 16.114 6.594 367 HZ2 TRP 43 HZ2 TRP 43 0.989 16.663 9.379 368 HZ3 TRP 43 HZ3 TRP 43 -1.719 18.134 6.422 369 HH2 TRP 43 HH TRP 43 0.296 18.403 7.783 370 HA PRO 44 HA PRO 44 -8.194 13.078 6.745 371 HB2 PRO 44 2HB PRO 44 -8.877 10.759 5.425 372 HB3 PRO 44 1HB PRO 44 -7.731 11.945 4.774 373 HG2 PRO 44 2HG PRO 44 -7.157 9.382 6.217 374 HG3 PRO 44 1HG PRO 44 -6.393 10.042 4.752 375 HD2 PRO 44 2HD PRO 44 -5.221 10.262 7.181 376 HD3 PRO 44 1HD PRO 44 -5.053 11.527 5.946 377 H GLY 45 H GLY 45 -7.607 10.219 8.712 378 HA2 GLY 45 2HA GLY 45 -8.798 9.219 10.401 379 HA3 GLY 45 1HA GLY 45 -9.904 10.585 10.370 380 H GLY 46 H GLY 46 -9.331 8.771 7.471 381 HA2 GLY 46 2HA GLY 46 -11.632 7.044 7.648 382 HA3 GLY 46 1HA GLY 46 -11.872 8.461 6.621 383 H GLU 47 H GLU 47 -11.236 5.359 6.373 384 HA GLU 47 HA GLU 47 -9.067 5.375 4.463 385 HB2 GLU 47 2HB GLU 47 -9.407 3.007 4.220 386 HB3 GLU 47 1HB GLU 47 -9.495 3.399 5.923 387 HG2 GLU 47 2HG GLU 47 -11.850 2.796 4.117 388 HG3 GLU 47 1HG GLU 47 -11.136 1.702 5.297 389 H GLU 48 H GLU 48 -12.382 6.116 4.295 390 HA GLU 48 HA GLU 48 -13.259 5.049 1.893 391 HB2 GLU 48 2HB GLU 48 -14.890 6.948 1.829 392 HB3 GLU 48 1HB GLU 48 -14.804 6.134 3.386 393 HG2 GLU 48 2HG GLU 48 -13.430 7.954 4.297 394 HG3 GLU 48 1HG GLU 48 -13.447 8.769 2.735 395 H VAL 49 H VAL 49 -11.382 8.035 2.325 396 HA VAL 49 HA VAL 49 -11.603 9.134 -0.252 397 HB VAL 49 HB VAL 49 -10.812 10.464 1.647 398 HG11 VAL 49 1HG1 VAL 49 -8.274 8.797 1.633 399 HG12 VAL 49 2HG1 VAL 49 -9.541 8.748 2.860 400 HG13 VAL 49 3HG1 VAL 49 -8.586 10.215 2.644 401 HG21 VAL 49 1HG2 VAL 49 -10.147 11.241 -0.597 402 HG22 VAL 49 2HG2 VAL 49 -8.644 10.324 -0.484 403 HG23 VAL 49 3HG2 VAL 49 -8.935 11.682 0.607 404 H LEU 50 H LEU 50 -9.544 6.603 0.950 405 HA LEU 50 HA LEU 50 -7.927 6.516 -1.528 406 HB2 LEU 50 2HB LEU 50 -6.293 5.227 0.030 407 HB3 LEU 50 1HB LEU 50 -6.439 6.960 0.173 408 HG LEU 50 HG LEU 50 -8.252 6.255 2.075 409 HD11 LEU 50 1HD1 LEU 50 -7.424 4.370 3.400 410 HD12 LEU 50 2HD1 LEU 50 -6.276 3.975 2.119 411 HD13 LEU 50 3HD1 LEU 50 -8.011 3.874 1.813 412 HD21 LEU 50 1HD2 LEU 50 -6.531 6.680 3.765 413 HD22 LEU 50 2HD2 LEU 50 -6.401 7.807 2.420 414 HD23 LEU 50 3HD2 LEU 50 -5.267 6.462 2.554 415 H ARG 51 H ARG 51 -10.241 4.832 0.314 416 HA ARG 51 HA ARG 51 -9.608 2.121 -0.141 417 HB2 ARG 51 2HB ARG 51 -11.397 2.975 1.442 418 HB3 ARG 51 1HB ARG 51 -12.412 3.328 0.051 419 HG2 ARG 51 2HG ARG 51 -12.137 0.769 -0.495 420 HG3 ARG 51 1HG ARG 51 -11.600 0.639 1.181 421 HD2 ARG 51 2HD ARG 51 -14.286 1.624 0.179 422 HD3 ARG 51 1HD ARG 51 -13.963 0.160 1.117 423 HE ARG 51 HE ARG 51 -13.219 1.744 2.938 424 HH11 ARG 51 1HH1 ARG 51 -15.622 2.781 0.582 425 HH12 ARG 51 2HH1 ARG 51 -16.360 3.916 1.670 426 HH21 ARG 51 1HH2 ARG 51 -14.232 3.204 4.356 427 HH22 ARG 51 2HH2 ARG 51 -15.575 4.152 3.798 428 H GLU 52 H GLU 52 -11.458 4.463 -2.017 429 HA GLU 52 HA GLU 52 -12.376 2.914 -4.116 430 HB2 GLU 52 2HB GLU 52 -12.309 5.026 -5.493 431 HB3 GLU 52 1HB GLU 52 -13.094 5.195 -3.929 432 HG2 GLU 52 2HG GLU 52 -11.132 6.310 -3.007 433 HG3 GLU 52 1HG GLU 52 -10.242 6.041 -4.503 434 H GLN 53 H GLN 53 -9.042 4.075 -3.611 435 HA GLN 53 HA GLN 53 -8.128 2.558 -5.968 436 HB2 GLN 53 2HB GLN 53 -6.645 4.562 -6.586 437 HB3 GLN 53 1HB GLN 53 -8.360 4.704 -6.915 438 HG2 GLN 53 2HG GLN 53 -7.849 6.794 -6.063 439 HG3 GLN 53 1HG GLN 53 -8.499 5.957 -4.661 440 HE21 GLN 53 1HE2 GLN 53 -5.254 5.606 -6.023 441 HE22 GLN 53 2HE2 GLN 53 -4.433 6.281 -4.677 442 H ALA 54 H ALA 54 -7.918 1.869 -3.222 443 HA ALA 54 HA ALA 54 -5.242 2.345 -2.250 444 HB1 ALA 54 1HB ALA 54 -7.106 1.906 -0.708 445 HB2 ALA 54 2HB ALA 54 -5.827 0.708 -0.503 446 HB3 ALA 54 3HB ALA 54 -7.299 0.288 -1.384 447 H GLY 55 H GLY 55 -3.416 1.086 -2.542 448 HA2 GLY 55 2HA GLY 55 -2.140 -0.742 -3.308 449 HA3 GLY 55 1HA GLY 55 -3.566 -1.420 -4.074 450 H GLY 56 H GLY 56 -3.985 1.512 -5.135 451 HA2 GLY 56 2HA GLY 56 -3.229 0.904 -7.794 452 HA3 GLY 56 1HA GLY 56 -3.865 2.436 -7.219 453 H ASP 57 H ASP 57 -1.892 3.222 -5.445 454 HA ASP 57 HA ASP 57 0.692 3.198 -6.751 455 HB2 ASP 57 2HB ASP 57 -0.514 4.845 -8.153 456 HB3 ASP 57 1HB ASP 57 -0.976 5.760 -6.725 457 H ALA 58 H ALA 58 2.307 4.410 -5.555 458 HA ALA 58 HA ALA 58 1.724 5.647 -3.005 459 HB1 ALA 58 1HB ALA 58 3.132 4.185 -1.627 460 HB2 ALA 58 2HB ALA 58 3.457 3.139 -3.013 461 HB3 ALA 58 3HB ALA 58 1.830 3.243 -2.348 462 H THR 59 H THR 59 3.011 6.081 -5.722 463 HA THR 59 HA THR 59 5.662 7.066 -4.931 464 HB THR 59 HB THR 59 4.267 7.372 -7.632 465 HG1 THR 59 HG1 THR 59 4.388 5.223 -7.469 466 HG21 THR 59 1HG2 THR 59 6.560 7.549 -8.523 467 HG22 THR 59 2HG2 THR 59 7.223 7.396 -6.894 468 HG23 THR 59 3HG2 THR 59 6.257 8.810 -7.328 469 H GLU 60 H GLU 60 2.526 8.250 -6.070 470 HA GLU 60 HA GLU 60 3.046 10.954 -4.956 471 HB2 GLU 60 2HB GLU 60 2.761 10.979 -7.388 472 HB3 GLU 60 1HB GLU 60 1.270 10.054 -7.271 473 HG2 GLU 60 2HG GLU 60 0.149 11.941 -6.190 474 HG3 GLU 60 1HG GLU 60 1.651 12.865 -6.187 475 H ASN 61 H ASN 61 0.996 8.102 -4.882 476 HA ASN 61 HA ASN 61 -1.504 9.270 -4.279 477 HB2 ASN 61 2HB ASN 61 -1.374 6.967 -5.071 478 HB3 ASN 61 1HB ASN 61 -0.481 6.481 -3.636 479 HD21 ASN 61 1HD2 ASN 61 -3.401 8.543 -3.784 480 HD22 ASN 61 2HD2 ASN 61 -4.397 7.468 -2.872 481 H PHE 62 H PHE 62 1.096 8.219 -2.110 482 HA PHE 62 HA PHE 62 -0.256 8.300 0.335 483 HB2 PHE 62 2HB PHE 62 2.023 8.676 1.355 484 HB3 PHE 62 1HB PHE 62 1.906 7.305 0.272 485 HD1 PHE 62 HD1 PHE 62 2.837 10.971 0.060 486 HD2 PHE 62 HD2 PHE 62 3.726 6.975 -1.145 487 HE1 PHE 62 HE1 PHE 62 4.840 11.768 -1.108 488 HE2 PHE 62 HE2 PHE 62 5.738 7.788 -2.312 489 HZ PHE 62 HZ PHE 62 6.293 10.180 -2.295 490 H GLU 63 H GLU 63 0.841 10.934 -1.630 491 HA GLU 63 HA GLU 63 0.475 13.001 0.394 492 HB2 GLU 63 2HB GLU 63 2.273 13.222 -1.303 493 HB3 GLU 63 1HB GLU 63 1.086 13.161 -2.602 494 HG2 GLU 63 2HG GLU 63 0.107 15.285 -1.806 495 HG3 GLU 63 1HG GLU 63 1.292 15.345 -0.501 496 H ASP 64 H ASP 64 -1.070 11.765 -2.514 497 HA ASP 64 HA ASP 64 -3.096 13.583 -2.997 498 HB2 ASP 64 2HB ASP 64 -2.529 11.768 -4.558 499 HB3 ASP 64 1HB ASP 64 -3.052 10.558 -3.395 500 H VAL 65 H VAL 65 -3.345 10.590 -1.104 501 HA VAL 65 HA VAL 65 -5.929 11.406 0.060 502 HB VAL 65 HB VAL 65 -6.129 9.024 0.725 503 HG11 VAL 65 1HG1 VAL 65 -5.503 9.471 -2.211 504 HG12 VAL 65 2HG1 VAL 65 -7.042 9.789 -1.406 505 HG13 VAL 65 3HG1 VAL 65 -6.450 8.137 -1.549 506 HG21 VAL 65 1HG2 VAL 65 -4.512 7.340 -0.098 507 HG22 VAL 65 2HG2 VAL 65 -3.723 8.477 0.991 508 HG23 VAL 65 3HG2 VAL 65 -3.485 8.623 -0.749 509 H GLY 66 H GLY 66 -2.634 11.121 0.953 510 HA2 GLY 66 2HA GLY 66 -3.204 10.623 3.804 511 HA3 GLY 66 1HA GLY 66 -1.637 10.550 3.016 512 H PHE 67 H PHE 67 -0.306 12.242 3.226 513 HA PHE 67 HA PHE 67 -1.330 14.672 4.595 514 HB2 PHE 67 2HB PHE 67 1.616 13.951 4.642 515 HB3 PHE 67 1HB PHE 67 0.662 14.823 5.839 516 HD1 PHE 67 HD1 PHE 67 -1.518 12.491 6.053 517 HD2 PHE 67 HD2 PHE 67 2.745 12.587 6.285 518 HE1 PHE 67 HE1 PHE 67 -1.549 10.489 7.476 519 HE2 PHE 67 HE2 PHE 67 2.694 10.577 7.705 520 HZ PHE 67 HZ PHE 67 0.561 9.526 8.300 521 H SER 68 H SER 68 0.427 16.572 4.156 522 HA SER 68 HA SER 68 0.580 17.041 1.295 523 HB2 SER 68 2HB SER 68 1.581 18.723 3.637 524 HB3 SER 68 1HB SER 68 1.419 19.270 1.970 525 HG SER 68 HG SER 68 -0.909 18.312 2.488 526 H THR 69 H THR 69 3.323 18.551 1.788 527 HA THR 69 HA THR 69 4.983 16.673 0.536 528 HB THR 69 HB THR 69 6.872 18.364 1.285 529 HG1 THR 69 HG1 THR 69 5.767 19.362 2.977 530 HG21 THR 69 1HG2 THR 69 6.180 20.004 -0.423 531 HG22 THR 69 2HG2 THR 69 4.549 19.332 -0.427 532 HG23 THR 69 3HG2 THR 69 5.906 18.355 -0.992 533 H ASP 70 H ASP 70 4.302 16.833 3.927 534 HA ASP 70 HA ASP 70 6.728 15.662 4.896 535 HB2 ASP 70 2HB ASP 70 3.928 15.654 6.112 536 HB3 ASP 70 1HB ASP 70 5.370 15.068 6.942 537 H ALA 71 H ALA 71 3.836 14.360 3.429 538 HA ALA 71 HA ALA 71 3.945 11.676 4.239 539 HB1 ALA 71 1HB ALA 71 1.970 12.684 3.204 540 HB2 ALA 71 2HB ALA 71 2.448 11.220 2.347 541 HB3 ALA 71 3HB ALA 71 2.811 12.806 1.661 542 H ARG 72 H ARG 72 6.021 13.336 2.006 543 HA ARG 72 HA ARG 72 6.766 11.389 0.176 544 HB2 ARG 72 2HB ARG 72 8.573 13.467 1.476 545 HB3 ARG 72 1HB ARG 72 8.983 12.556 0.031 546 HG2 ARG 72 2HG ARG 72 6.719 14.556 0.291 547 HG3 ARG 72 1HG ARG 72 8.267 14.831 -0.505 548 HD2 ARG 72 2HD ARG 72 6.138 12.851 -1.376 549 HD3 ARG 72 1HD ARG 72 6.513 14.395 -2.148 550 HE ARG 72 HE ARG 72 8.886 13.035 -2.178 551 HH11 ARG 72 1HH1 ARG 72 5.670 12.355 -3.450 552 HH12 ARG 72 2HH1 ARG 72 6.273 11.399 -4.767 553 HH21 ARG 72 1HH2 ARG 72 9.642 11.776 -3.916 554 HH22 ARG 72 2HH2 ARG 72 8.506 11.076 -5.030 555 H GLU 73 H GLU 73 8.460 12.069 3.272 556 HA GLU 73 HA GLU 73 9.914 9.539 3.126 557 HB2 GLU 73 2HB GLU 73 11.158 10.343 5.052 558 HB3 GLU 73 1HB GLU 73 11.053 11.625 3.854 559 HG2 GLU 73 2HG GLU 73 9.222 12.681 5.188 560 HG3 GLU 73 1HG GLU 73 9.420 11.418 6.401 561 H LEU 74 H LEU 74 7.183 10.922 4.791 562 HA LEU 74 HA LEU 74 6.925 9.196 6.984 563 HB2 LEU 74 2HB LEU 74 5.149 11.117 5.578 564 HB3 LEU 74 1HB LEU 74 4.288 9.854 6.428 565 HG LEU 74 HG LEU 74 4.531 11.937 7.770 566 HD11 LEU 74 1HD1 LEU 74 4.213 9.801 8.918 567 HD12 LEU 74 2HD1 LEU 74 5.224 10.883 9.870 568 HD13 LEU 74 3HD1 LEU 74 5.961 9.545 8.985 569 HD21 LEU 74 1HD2 LEU 74 7.520 11.348 7.775 570 HD22 LEU 74 2HD2 LEU 74 6.705 12.587 8.732 571 HD23 LEU 74 3HD2 LEU 74 6.729 12.710 6.976 572 H SER 75 H SER 75 6.037 8.695 3.629 573 HA SER 75 HA SER 75 4.516 6.279 4.102 574 HB2 SER 75 2HB SER 75 4.611 6.104 1.588 575 HB3 SER 75 1HB SER 75 3.962 7.633 2.176 576 HG SER 75 HG SER 75 5.564 8.653 1.289 577 H LYS 76 H LYS 76 7.799 7.097 3.010 578 HA LYS 76 HA LYS 76 8.574 4.559 2.090 579 HB2 LYS 76 2HB LYS 76 10.388 6.715 3.229 580 HB3 LYS 76 1HB LYS 76 10.890 5.384 2.203 581 HG2 LYS 76 2HG LYS 76 9.153 7.730 1.396 582 HG3 LYS 76 1HG LYS 76 10.835 7.464 0.962 583 HD2 LYS 76 2HD LYS 76 9.909 6.684 -0.991 584 HD3 LYS 76 1HD LYS 76 9.769 5.185 -0.080 585 HE2 LYS 76 2HE LYS 76 7.435 5.688 0.445 586 HE3 LYS 76 1HE LYS 76 7.564 7.257 -0.346 587 HZ1 LYS 76 1HZ LYS 76 7.864 6.173 -2.450 588 HZ2 LYS 76 2HZ LYS 76 6.467 5.561 -1.730 589 HZ3 LYS 76 3HZ LYS 76 7.896 4.649 -1.733 590 H LYS 77 H LYS 77 8.700 5.996 5.290 591 HA LYS 77 HA LYS 77 10.218 3.885 6.532 592 HB2 LYS 77 2HB LYS 77 9.700 5.077 8.642 593 HB3 LYS 77 1HB LYS 77 10.331 6.157 7.405 594 HG2 LYS 77 2HG LYS 77 8.014 6.927 6.914 595 HG3 LYS 77 1HG LYS 77 7.415 5.894 8.211 596 HD2 LYS 77 2HD LYS 77 9.358 8.213 8.563 597 HD3 LYS 77 1HD LYS 77 7.633 8.259 8.927 598 HE2 LYS 77 2HE LYS 77 7.898 6.626 10.695 599 HE3 LYS 77 1HE LYS 77 9.592 6.367 10.263 600 HZ1 LYS 77 1HZ LYS 77 8.405 8.848 11.380 601 HZ2 LYS 77 2HZ LYS 77 10.004 8.717 10.849 602 HZ3 LYS 77 3HZ LYS 77 9.471 7.794 12.161 603 H TYR 78 H TYR 78 6.836 4.363 5.817 604 HA TYR 78 HA TYR 78 5.858 2.396 7.752 605 HB2 TYR 78 2HB TYR 78 4.418 3.904 5.520 606 HB3 TYR 78 1HB TYR 78 3.623 2.770 6.607 607 HD1 TYR 78 HD1 TYR 78 5.793 4.313 8.808 608 HD2 TYR 78 HD2 TYR 78 2.372 5.258 6.427 609 HE1 TYR 78 HE1 TYR 78 5.248 6.185 10.312 610 HE2 TYR 78 HE2 TYR 78 1.836 7.123 7.931 611 HH TYR 78 HH TYR 78 4.000 8.312 10.241 612 H ILE 79 H ILE 79 7.706 1.789 5.246 613 HA ILE 79 HA ILE 79 6.247 0.102 3.506 614 HB ILE 79 HB ILE 79 8.455 0.997 2.884 615 HG12 ILE 79 2HG1 ILE 79 8.455 -2.057 2.939 616 HG13 ILE 79 1HG1 ILE 79 7.644 -1.056 1.741 617 HG21 ILE 79 1HG2 ILE 79 9.593 0.901 5.063 618 HG22 ILE 79 2HG2 ILE 79 10.566 0.135 3.807 619 HG23 ILE 79 3HG2 ILE 79 9.671 -0.860 4.959 620 HD11 ILE 79 1HD1 ILE 79 9.828 -0.221 0.984 621 HD12 ILE 79 2HD1 ILE 79 9.679 -1.972 0.853 622 HD13 ILE 79 3HD1 ILE 79 10.622 -1.269 2.166 623 H ILE 80 H ILE 80 5.550 -1.982 3.713 624 HA ILE 80 HA ILE 80 6.166 -3.401 6.241 625 HB ILE 80 HB ILE 80 3.804 -2.695 5.879 626 HG12 ILE 80 2HG1 ILE 80 3.987 -5.739 5.934 627 HG13 ILE 80 1HG1 ILE 80 4.475 -4.727 7.286 628 HG21 ILE 80 1HG2 ILE 80 3.768 -4.677 3.586 629 HG22 ILE 80 2HG2 ILE 80 3.640 -2.922 3.453 630 HG23 ILE 80 3HG2 ILE 80 2.361 -3.839 4.250 631 HD11 ILE 80 1HD1 ILE 80 2.246 -5.640 7.594 632 HD12 ILE 80 2HD1 ILE 80 1.695 -4.846 6.118 633 HD13 ILE 80 3HD1 ILE 80 2.209 -3.881 7.504 634 H GLY 81 H GLY 81 6.389 -3.637 2.772 635 HA2 GLY 81 2HA GLY 81 8.328 -5.671 2.863 636 HA3 GLY 81 1HA GLY 81 6.779 -6.418 2.466 637 H GLU 82 H GLU 82 7.679 -7.021 0.438 638 HA GLU 82 HA GLU 82 7.680 -4.858 -1.582 639 HB2 GLU 82 2HB GLU 82 8.914 -6.322 -3.090 640 HB3 GLU 82 1HB GLU 82 9.766 -6.223 -1.562 641 HG2 GLU 82 2HG GLU 82 10.008 -8.461 -2.016 642 HG3 GLU 82 1HG GLU 82 8.544 -8.502 -1.048 643 H LEU 83 H LEU 83 6.174 -4.961 -3.206 644 HA LEU 83 HA LEU 83 4.030 -6.918 -3.117 645 HB2 LEU 83 2HB LEU 83 3.928 -4.368 -3.765 646 HB3 LEU 83 1HB LEU 83 4.511 -4.883 -5.332 647 HG LEU 83 HG LEU 83 2.011 -4.528 -5.155 648 HD11 LEU 83 1HD1 LEU 83 2.901 -5.899 -6.973 649 HD12 LEU 83 2HD1 LEU 83 1.313 -6.442 -6.452 650 HD13 LEU 83 3HD1 LEU 83 2.754 -7.343 -5.971 651 HD21 LEU 83 1HD2 LEU 83 1.741 -5.410 -2.881 652 HD22 LEU 83 2HD2 LEU 83 2.058 -7.045 -3.470 653 HD23 LEU 83 3HD2 LEU 83 0.631 -6.163 -4.018 654 H HIS 84 H HIS 84 3.741 -8.569 -4.632 655 HA HIS 84 HA HIS 84 5.980 -9.853 -5.696 656 HB2 HIS 84 2HB HIS 84 3.010 -10.240 -6.211 657 HB3 HIS 84 1HB HIS 84 4.219 -11.272 -6.972 658 HD1 HIS 84 HD1 HIS 84 2.221 -12.586 -5.179 659 HD2 HIS 84 HD2 HIS 84 5.840 -11.111 -3.800 660 HE1 HIS 84 HE1 HIS 84 2.700 -13.845 -3.055 661 HE2 HIS 84 HE2 HIS 84 5.030 -13.149 -2.454 662 HA PRO 85 HA PRO 85 6.721 -7.762 -9.649 663 HB2 PRO 85 2HB PRO 85 7.878 -9.994 -10.920 664 HB3 PRO 85 1HB PRO 85 8.740 -8.835 -9.893 665 HG2 PRO 85 2HG PRO 85 7.624 -11.523 -9.161 666 HG3 PRO 85 1HG PRO 85 9.175 -10.777 -8.704 667 HD2 PRO 85 2HD PRO 85 7.150 -10.832 -6.974 668 HD3 PRO 85 1HD PRO 85 8.183 -9.385 -7.100 669 H ASP 86 H ASP 86 4.890 -10.673 -9.265 670 HA ASP 86 HA ASP 86 3.834 -10.915 -11.914 671 HB2 ASP 86 2HB ASP 86 2.768 -12.024 -9.269 672 HB3 ASP 86 1HB ASP 86 2.283 -12.547 -10.881 673 H ASP 87 H ASP 87 2.541 -9.790 -8.805 674 HA ASP 87 HA ASP 87 -0.085 -9.265 -9.812 675 HB2 ASP 87 2HB ASP 87 1.266 -8.674 -7.155 676 HB3 ASP 87 1HB ASP 87 -0.400 -8.205 -7.482 677 H ARG 88 H ARG 88 2.759 -7.259 -9.270 678 HA ARG 88 HA ARG 88 1.373 -4.747 -9.459 679 HB2 ARG 88 2HB ARG 88 3.620 -3.705 -9.579 680 HB3 ARG 88 1HB ARG 88 3.462 -4.830 -8.241 681 HG2 ARG 88 2HG ARG 88 5.598 -5.305 -9.024 682 HG3 ARG 88 1HG ARG 88 4.633 -6.545 -9.816 683 HD2 ARG 88 2HD ARG 88 4.614 -5.152 -11.891 684 HD3 ARG 88 1HD ARG 88 5.652 -3.974 -11.083 685 HE ARG 88 HE ARG 88 7.059 -6.262 -10.845 686 HH11 ARG 88 1HH1 ARG 88 5.623 -4.702 -13.657 687 HH12 ARG 88 2HH1 ARG 88 6.804 -5.334 -14.755 688 HH21 ARG 88 1HH2 ARG 88 8.593 -7.087 -12.314 689 HH22 ARG 88 2HH2 ARG 88 8.480 -6.679 -13.997 690 H SER 89 H SER 89 2.425 -7.011 -11.839 691 HA SER 89 HA SER 89 2.050 -5.096 -14.060 692 HB2 SER 89 2HB SER 89 4.016 -6.662 -14.119 693 HB3 SER 89 1HB SER 89 2.902 -8.029 -14.147 694 HG SER 89 HG SER 89 2.465 -6.075 -16.069 695 H LYS 90 H LYS 90 0.685 -7.891 -12.517 696 HA LYS 90 HA LYS 90 -1.246 -8.710 -14.423 697 HB2 LYS 90 2HB LYS 90 -0.506 -10.318 -12.875 698 HB3 LYS 90 1HB LYS 90 -0.619 -9.221 -11.515 699 HG2 LYS 90 2HG LYS 90 -3.140 -9.466 -11.650 700 HG3 LYS 90 1HG LYS 90 -2.880 -10.752 -12.837 701 HD2 LYS 90 2HD LYS 90 -1.670 -12.105 -11.244 702 HD3 LYS 90 1HD LYS 90 -1.540 -10.764 -10.104 703 HE2 LYS 90 2HE LYS 90 -4.042 -10.856 -9.826 704 HE3 LYS 90 1HE LYS 90 -4.040 -12.326 -10.810 705 HZ1 LYS 90 1HZ LYS 90 -2.513 -11.971 -8.283 706 HZ2 LYS 90 2HZ LYS 90 -2.618 -13.391 -9.199 707 HZ3 LYS 90 3HZ LYS 90 -3.989 -12.787 -8.418 708 H ILE 91 H ILE 91 -1.760 -7.116 -11.251 709 HA ILE 91 HA ILE 91 -4.380 -6.100 -12.079 710 HB ILE 91 HB ILE 91 -3.119 -5.693 -9.334 711 HG12 ILE 91 2HG1 ILE 91 -4.530 -8.206 -10.341 712 HG13 ILE 91 1HG1 ILE 91 -2.855 -8.084 -9.835 713 HG21 ILE 91 1HG2 ILE 91 -6.034 -6.016 -10.184 714 HG22 ILE 91 2HG2 ILE 91 -5.246 -4.487 -9.790 715 HG23 ILE 91 3HG2 ILE 91 -5.466 -5.711 -8.539 716 HD11 ILE 91 1HD1 ILE 91 -5.269 -7.808 -8.074 717 HD12 ILE 91 2HD1 ILE 91 -3.595 -7.609 -7.553 718 HD13 ILE 91 3HD1 ILE 91 -4.153 -9.170 -8.153 719 H ALA 92 H ALA 92 -1.419 -5.060 -12.741 720 HA ALA 92 HA ALA 92 -1.548 -2.242 -12.385 721 HB1 ALA 92 1HB ALA 92 -0.337 -3.814 -14.681 722 HB2 ALA 92 2HB ALA 92 0.475 -3.401 -13.177 723 HB3 ALA 92 3HB ALA 92 -0.001 -2.122 -14.289 724 H LYS 93 H LYS 93 -3.319 -4.445 -14.336 725 HA LYS 93 HA LYS 93 -4.775 -2.310 -15.765 726 HB2 LYS 93 2HB LYS 93 -5.034 -5.356 -15.926 727 HB3 LYS 93 1HB LYS 93 -5.802 -4.195 -17.003 728 HG2 LYS 93 2HG LYS 93 -3.704 -3.608 -18.014 729 HG3 LYS 93 1HG LYS 93 -2.789 -4.465 -16.778 730 HD2 LYS 93 2HD LYS 93 -4.665 -5.898 -18.700 731 HD3 LYS 93 1HD LYS 93 -2.974 -5.587 -19.084 732 HE2 LYS 93 2HE LYS 93 -3.091 -7.827 -18.269 733 HE3 LYS 93 1HE LYS 93 -2.361 -6.872 -16.981 734 HZ1 LYS 93 1HZ LYS 93 -4.473 -6.859 -15.828 735 HZ2 LYS 93 2HZ LYS 93 -4.026 -8.445 -16.174 736 HZ3 LYS 93 3HZ LYS 93 -5.219 -7.690 -17.096 737 HA PRO 94 HA PRO 94 -7.049 -3.342 -11.841 738 HB2 PRO 94 2HB PRO 94 -7.196 -0.937 -10.682 739 HB3 PRO 94 1HB PRO 94 -5.621 -1.734 -10.882 740 HG2 PRO 94 2HG PRO 94 -6.791 0.530 -12.427 741 HG3 PRO 94 1HG PRO 94 -5.106 0.239 -11.955 742 HD2 PRO 94 2HD PRO 94 -6.291 -0.395 -14.475 743 HD3 PRO 94 1HD PRO 94 -4.682 -0.875 -13.904 744 H SER 95 H SER 95 -9.185 -3.317 -11.247 745 HA SER 95 HA SER 95 -11.140 -1.892 -12.962 746 HB2 SER 95 2HB SER 95 -11.175 -4.319 -13.296 747 HB3 SER 95 1HB SER 95 -11.272 -4.604 -11.561 748 HG SER 95 HG SER 95 -13.330 -4.352 -11.667 749 H GLU 96 H GLU 96 -10.433 -3.101 -9.697 750 HA GLU 96 HA GLU 96 -12.611 -1.448 -8.539 751 HB2 GLU 96 2HB GLU 96 -11.222 -3.917 -7.398 752 HB3 GLU 96 1HB GLU 96 -12.576 -3.061 -6.666 753 HG2 GLU 96 2HG GLU 96 -14.021 -3.677 -8.550 754 HG3 GLU 96 1HG GLU 96 -12.672 -4.495 -9.335 755 H THR 97 H THR 97 -9.946 -0.544 -9.292 756 HA THR 97 HA THR 97 -9.048 0.561 -6.730 757 HB THR 97 HB THR 97 -7.128 -0.688 -8.754 758 HG1 THR 97 HG1 THR 97 -8.449 -1.761 -6.567 759 HG21 THR 97 1HG2 THR 97 -6.626 0.418 -5.966 760 HG22 THR 97 2HG2 THR 97 -6.124 1.173 -7.483 761 HG23 THR 97 3HG2 THR 97 -5.427 -0.371 -6.990 762 H LEU 98 H LEU 98 -8.016 0.534 -10.166 763 HA LEU 98 HA LEU 98 -7.217 2.134 -11.539 764 HB2 LEU 98 2HB LEU 98 -9.814 2.688 -11.227 765 HB3 LEU 98 1HB LEU 98 -9.214 4.133 -10.449 766 HG LEU 98 HG LEU 98 -8.743 3.312 -13.343 767 HD11 LEU 98 1HD1 LEU 98 -11.026 4.040 -12.968 768 HD12 LEU 98 2HD1 LEU 98 -10.166 5.248 -13.916 769 HD13 LEU 98 3HD1 LEU 98 -10.474 5.531 -12.199 770 HD21 LEU 98 1HD2 LEU 98 -7.705 5.515 -13.705 771 HD22 LEU 98 2HD2 LEU 98 -6.779 4.545 -12.565 772 HD23 LEU 98 3HD2 LEU 98 -7.800 5.857 -11.974 Start of MODEL 20 1 H1 ALA 1 1H ALA 1 10.359 -21.614 9.864 2 H2 ALA 1 2H ALA 1 11.342 -21.738 11.228 3 H3 ALA 1 3H ALA 1 11.285 -23.008 10.109 4 HA ALA 1 HA ALA 1 13.312 -21.706 9.900 5 HB1 ALA 1 1HB ALA 1 11.425 -21.437 7.527 6 HB2 ALA 1 2HB ALA 1 12.381 -22.864 7.924 7 HB3 ALA 1 3HB ALA 1 13.189 -21.367 7.458 8 H GLU 2 H GLU 2 14.291 -19.710 9.846 9 HA GLU 2 HA GLU 2 12.908 -17.250 10.255 10 HB2 GLU 2 2HB GLU 2 15.773 -17.813 9.337 11 HB3 GLU 2 1HB GLU 2 15.180 -16.215 9.796 12 HG2 GLU 2 2HG GLU 2 14.781 -16.980 12.083 13 HG3 GLU 2 1HG GLU 2 15.246 -18.625 11.649 14 H GLN 3 H GLN 3 11.579 -16.546 8.724 15 HA GLN 3 HA GLN 3 11.877 -17.214 5.909 16 HB2 GLN 3 2HB GLN 3 9.704 -17.456 7.109 17 HB3 GLN 3 1HB GLN 3 9.673 -15.729 7.422 18 HG2 GLN 3 2HG GLN 3 8.146 -16.369 5.590 19 HG3 GLN 3 1HG GLN 3 9.406 -15.267 5.036 20 HE21 GLN 3 1HE2 GLN 3 8.282 -18.589 4.974 21 HE22 GLN 3 2HE2 GLN 3 9.182 -19.065 3.580 22 H SER 4 H SER 4 11.838 -15.612 4.208 23 HA SER 4 HA SER 4 13.480 -13.346 4.407 24 HB2 SER 4 2HB SER 4 12.510 -12.829 2.095 25 HB3 SER 4 1HB SER 4 13.162 -14.458 2.275 26 HG SER 4 HG SER 4 10.400 -13.786 2.549 27 H ASP 5 H ASP 5 10.115 -13.705 5.052 28 HA ASP 5 HA ASP 5 9.267 -10.995 4.848 29 HB2 ASP 5 2HB ASP 5 8.065 -13.397 6.274 30 HB3 ASP 5 1HB ASP 5 7.258 -11.832 6.133 31 H LYS 6 H LYS 6 11.272 -12.463 7.107 32 HA LYS 6 HA LYS 6 10.603 -11.502 9.614 33 HB2 LYS 6 2HB LYS 6 12.477 -13.076 9.179 34 HB3 LYS 6 1HB LYS 6 13.394 -11.797 8.398 35 HG2 LYS 6 2HG LYS 6 14.285 -12.160 10.615 36 HG3 LYS 6 1HG LYS 6 13.494 -10.579 10.581 37 HD2 LYS 6 2HD LYS 6 11.506 -11.536 11.692 38 HD3 LYS 6 1HD LYS 6 12.251 -13.136 11.687 39 HE2 LYS 6 2HE LYS 6 14.040 -12.292 13.174 40 HE3 LYS 6 1HE LYS 6 13.284 -10.697 13.174 41 HZ1 LYS 6 1HZ LYS 6 12.701 -11.944 15.141 42 HZ2 LYS 6 2HZ LYS 6 12.066 -13.200 14.205 43 HZ3 LYS 6 3HZ LYS 6 11.327 -11.680 14.194 44 H ASP 7 H ASP 7 12.740 -9.936 7.232 45 HA ASP 7 HA ASP 7 12.617 -7.357 8.609 46 HB2 ASP 7 2HB ASP 7 14.808 -8.217 7.771 47 HB3 ASP 7 1HB ASP 7 14.169 -8.234 6.129 48 H VAL 8 H VAL 8 12.230 -8.491 5.241 49 HA VAL 8 HA VAL 8 10.348 -6.273 4.687 50 HB VAL 8 HB VAL 8 12.320 -6.112 3.306 51 HG11 VAL 8 1HG1 VAL 8 13.176 -8.411 3.482 52 HG12 VAL 8 2HG1 VAL 8 13.132 -7.880 1.800 53 HG13 VAL 8 3HG1 VAL 8 11.893 -8.983 2.408 54 HG21 VAL 8 1HG2 VAL 8 10.076 -7.263 1.615 55 HG22 VAL 8 2HG2 VAL 8 11.393 -6.242 1.028 56 HG23 VAL 8 3HG2 VAL 8 10.212 -5.590 2.164 57 H LYS 9 H LYS 9 8.245 -6.915 4.716 58 HA LYS 9 HA LYS 9 7.571 -9.736 4.544 59 HB2 LYS 9 2HB LYS 9 5.771 -7.331 4.999 60 HB3 LYS 9 1HB LYS 9 5.252 -9.015 5.072 61 HG2 LYS 9 2HG LYS 9 6.966 -9.320 6.954 62 HG3 LYS 9 1HG LYS 9 7.125 -7.558 6.968 63 HD2 LYS 9 2HD LYS 9 4.588 -9.166 7.491 64 HD3 LYS 9 1HD LYS 9 5.521 -8.260 8.684 65 HE2 LYS 9 2HE LYS 9 4.873 -6.161 7.723 66 HE3 LYS 9 1HE LYS 9 4.219 -6.932 6.283 67 HZ1 LYS 9 1HZ LYS 9 2.449 -6.272 7.692 68 HZ2 LYS 9 2HZ LYS 9 3.106 -7.082 9.021 69 HZ3 LYS 9 3HZ LYS 9 2.523 -7.960 7.700 70 H TYR 10 H TYR 10 6.662 -10.748 2.918 71 HA TYR 10 HA TYR 10 6.442 -9.466 0.323 72 HB2 TYR 10 2HB TYR 10 6.501 -12.363 1.258 73 HB3 TYR 10 1HB TYR 10 6.203 -11.920 -0.419 74 HD1 TYR 10 HD1 TYR 10 8.042 -11.828 -1.863 75 HD2 TYR 10 HD2 TYR 10 8.709 -11.228 2.311 76 HE1 TYR 10 HE1 TYR 10 10.449 -11.685 -2.264 77 HE2 TYR 10 HE2 TYR 10 11.121 -11.074 1.905 78 HH TYR 10 HH TYR 10 12.456 -10.612 -1.108 79 H TYR 11 H TYR 11 4.565 -8.455 0.090 80 HA TYR 11 HA TYR 11 1.989 -9.592 0.867 81 HB2 TYR 11 2HB TYR 11 2.987 -6.869 -0.003 82 HB3 TYR 11 1HB TYR 11 1.282 -7.221 -0.211 83 HD1 TYR 11 HD1 TYR 11 -0.130 -6.590 1.514 84 HD2 TYR 11 HD2 TYR 11 3.929 -7.538 2.474 85 HE1 TYR 11 HE1 TYR 11 -0.557 -6.027 3.856 86 HE2 TYR 11 HE2 TYR 11 3.497 -6.976 4.821 87 HH TYR 11 HH TYR 11 0.314 -6.467 6.048 88 H THR 12 H THR 12 0.294 -9.936 -0.579 89 HA THR 12 HA THR 12 0.899 -10.001 -3.480 90 HB THR 12 HB THR 12 -1.177 -11.310 -3.747 91 HG1 THR 12 HG1 THR 12 -2.578 -11.598 -2.146 92 HG21 THR 12 1HG2 THR 12 0.825 -12.639 -3.208 93 HG22 THR 12 2HG2 THR 12 -0.629 -13.370 -2.529 94 HG23 THR 12 3HG2 THR 12 0.475 -12.478 -1.481 95 H LEU 13 H LEU 13 -0.309 -8.707 -4.859 96 HA LEU 13 HA LEU 13 -1.649 -6.413 -3.851 97 HB2 LEU 13 2HB LEU 13 -0.372 -6.698 -6.094 98 HB3 LEU 13 1HB LEU 13 -1.846 -7.422 -6.716 99 HG LEU 13 HG LEU 13 -3.076 -5.316 -6.372 100 HD11 LEU 13 1HD1 LEU 13 -1.975 -4.580 -4.313 101 HD12 LEU 13 2HD1 LEU 13 -1.955 -3.305 -5.524 102 HD13 LEU 13 3HD1 LEU 13 -0.490 -4.238 -5.208 103 HD21 LEU 13 1HD2 LEU 13 -1.820 -5.555 -8.487 104 HD22 LEU 13 2HD2 LEU 13 -0.415 -4.783 -7.747 105 HD23 LEU 13 3HD2 LEU 13 -1.911 -3.871 -7.975 106 H GLU 14 H GLU 14 -2.619 -9.610 -4.674 107 HA GLU 14 HA GLU 14 -5.399 -9.397 -4.974 108 HB2 GLU 14 2HB GLU 14 -4.026 -11.435 -5.455 109 HB3 GLU 14 1HB GLU 14 -3.761 -11.652 -3.733 110 HG2 GLU 14 2HG GLU 14 -5.463 -13.194 -4.533 111 HG3 GLU 14 1HG GLU 14 -6.170 -12.043 -3.397 112 H GLU 15 H GLU 15 -3.377 -9.767 -2.038 113 HA GLU 15 HA GLU 15 -5.500 -10.036 -0.157 114 HB2 GLU 15 2HB GLU 15 -3.201 -10.759 0.356 115 HB3 GLU 15 1HB GLU 15 -2.634 -9.094 0.267 116 HG2 GLU 15 2HG GLU 15 -4.111 -8.539 2.219 117 HG3 GLU 15 1HG GLU 15 -4.540 -10.244 2.341 118 H ILE 16 H ILE 16 -3.600 -7.261 -1.283 119 HA ILE 16 HA ILE 16 -4.676 -5.289 0.450 120 HB ILE 16 HB ILE 16 -3.419 -4.897 -2.309 121 HG12 ILE 16 2HG1 ILE 16 -2.058 -4.958 0.433 122 HG13 ILE 16 1HG1 ILE 16 -1.938 -6.223 -0.787 123 HG21 ILE 16 1HG2 ILE 16 -4.587 -2.890 -1.469 124 HG22 ILE 16 2HG2 ILE 16 -2.843 -2.636 -1.486 125 HG23 ILE 16 3HG2 ILE 16 -3.670 -2.974 0.037 126 HD11 ILE 16 1HD1 ILE 16 0.045 -4.874 -0.786 127 HD12 ILE 16 2HD1 ILE 16 -0.897 -3.401 -1.018 128 HD13 ILE 16 3HD1 ILE 16 -0.828 -4.620 -2.296 129 H GLN 17 H GLN 17 -5.786 -6.742 -2.529 130 HA GLN 17 HA GLN 17 -7.661 -4.733 -3.302 131 HB2 GLN 17 2HB GLN 17 -6.616 -6.389 -4.861 132 HB3 GLN 17 1HB GLN 17 -7.599 -7.660 -4.137 133 HG2 GLN 17 2HG GLN 17 -9.631 -6.677 -4.980 134 HG3 GLN 17 1HG GLN 17 -8.795 -5.194 -5.440 135 HE21 GLN 17 1HE2 GLN 17 -9.607 -5.411 -7.557 136 HE22 GLN 17 2HE2 GLN 17 -8.927 -6.553 -8.667 137 H LYS 18 H LYS 18 -7.758 -6.968 -0.741 138 HA LYS 18 HA LYS 18 -10.663 -6.979 -0.419 139 HB2 LYS 18 2HB LYS 18 -8.347 -7.918 1.323 140 HB3 LYS 18 1HB LYS 18 -9.967 -7.803 1.990 141 HG2 LYS 18 2HG LYS 18 -9.518 -10.079 1.347 142 HG3 LYS 18 1HG LYS 18 -10.779 -9.406 0.309 143 HD2 LYS 18 2HD LYS 18 -9.051 -9.016 -1.468 144 HD3 LYS 18 1HD LYS 18 -7.845 -9.780 -0.431 145 HE2 LYS 18 2HE LYS 18 -9.133 -11.885 -0.503 146 HE3 LYS 18 1HE LYS 18 -10.336 -11.111 -1.538 147 HZ1 LYS 18 1HZ LYS 18 -8.850 -12.356 -2.879 148 HZ2 LYS 18 2HZ LYS 18 -7.495 -11.626 -2.182 149 HZ3 LYS 18 3HZ LYS 18 -8.535 -10.716 -3.156 150 H HIS 19 H HIS 19 -9.447 -4.402 -0.783 151 HA HIS 19 HA HIS 19 -9.120 -3.055 1.723 152 HB2 HIS 19 2HB HIS 19 -8.995 -0.989 0.162 153 HB3 HIS 19 1HB HIS 19 -7.727 -2.195 0.051 154 HD1 HIS 19 HD1 HIS 19 -7.048 -2.493 -2.312 155 HD2 HIS 19 HD2 HIS 19 -11.108 -1.721 -2.037 156 HE1 HIS 19 HE1 HIS 19 -7.881 -2.419 -4.672 157 HE2 HIS 19 HE2 HIS 19 -10.264 -1.666 -4.460 158 H LYS 20 H LYS 20 -11.081 -3.488 2.734 159 HA LYS 20 HA LYS 20 -13.282 -1.639 2.046 160 HB2 LYS 20 2HB LYS 20 -14.940 -3.400 2.639 161 HB3 LYS 20 1HB LYS 20 -13.982 -3.836 1.228 162 HG2 LYS 20 2HG LYS 20 -12.574 -5.310 2.645 163 HG3 LYS 20 1HG LYS 20 -13.549 -4.880 4.049 164 HD2 LYS 20 2HD LYS 20 -14.327 -7.012 3.319 165 HD3 LYS 20 1HD LYS 20 -15.559 -5.850 2.832 166 HE2 LYS 20 2HE LYS 20 -13.412 -6.926 0.971 167 HE3 LYS 20 1HE LYS 20 -15.017 -7.630 1.123 168 HZ1 LYS 20 1HZ LYS 20 -14.956 -6.205 -0.764 169 HZ2 LYS 20 2HZ LYS 20 -14.364 -4.908 0.139 170 HZ3 LYS 20 3HZ LYS 20 -15.933 -5.472 0.406 171 H ASP 21 H ASP 21 -10.962 -2.062 4.133 172 HA ASP 21 HA ASP 21 -12.514 -1.240 6.497 173 HB2 ASP 21 2HB ASP 21 -12.068 -3.837 6.449 174 HB3 ASP 21 1HB ASP 21 -10.392 -3.421 6.773 175 H SER 22 H SER 22 -11.014 -0.454 8.237 176 HA SER 22 HA SER 22 -9.182 1.470 7.251 177 HB2 SER 22 2HB SER 22 -9.501 0.462 10.123 178 HB3 SER 22 1HB SER 22 -8.765 1.989 9.628 179 HG SER 22 HG SER 22 -11.287 1.528 10.190 180 H LYS 23 H LYS 23 -8.788 -1.654 8.977 181 HA LYS 23 HA LYS 23 -5.901 -1.455 9.032 182 HB2 LYS 23 2HB LYS 23 -5.972 -3.703 10.125 183 HB3 LYS 23 1HB LYS 23 -6.915 -2.476 10.934 184 HG2 LYS 23 2HG LYS 23 -8.210 -4.415 11.102 185 HG3 LYS 23 1HG LYS 23 -8.971 -3.495 9.811 186 HD2 LYS 23 2HD LYS 23 -8.879 -5.881 9.245 187 HD3 LYS 23 1HD LYS 23 -7.879 -4.956 8.119 188 HE2 LYS 23 2HE LYS 23 -5.857 -5.618 9.474 189 HE3 LYS 23 1HE LYS 23 -6.910 -6.593 10.501 190 HZ1 LYS 23 1HZ LYS 23 -7.532 -7.852 8.474 191 HZ2 LYS 23 2HZ LYS 23 -5.905 -8.008 8.909 192 HZ3 LYS 23 3HZ LYS 23 -6.342 -7.005 7.620 193 H SER 24 H SER 24 -8.182 -2.625 6.773 194 HA SER 24 HA SER 24 -6.134 -4.203 5.339 195 HB2 SER 24 2HB SER 24 -8.345 -5.306 5.834 196 HB3 SER 24 1HB SER 24 -9.138 -4.085 4.834 197 HG SER 24 HG SER 24 -8.261 -4.956 3.055 198 H THR 25 H THR 25 -5.140 -2.051 4.935 199 HA THR 25 HA THR 25 -5.850 -1.123 2.278 200 HB THR 25 HB THR 25 -5.745 0.893 4.577 201 HG1 THR 25 HG1 THR 25 -7.790 -0.078 4.445 202 HG21 THR 25 1HG2 THR 25 -6.174 1.392 1.611 203 HG22 THR 25 2HG2 THR 25 -4.694 1.764 2.493 204 HG23 THR 25 3HG2 THR 25 -6.193 2.613 2.884 205 H TRP 26 H TRP 26 -3.978 -1.186 1.257 206 HA TRP 26 HA TRP 26 -1.540 0.025 2.362 207 HB2 TRP 26 2HB TRP 26 -1.582 -2.748 1.063 208 HB3 TRP 26 1HB TRP 26 -0.131 -1.866 1.530 209 HD1 TRP 26 HD TRP 26 0.395 -1.710 4.213 210 HE1 TRP 26 HE1 TRP 26 -0.380 -3.179 6.176 211 HE3 TRP 26 HE3 TRP 26 -3.473 -4.157 1.919 212 HZ2 TRP 26 HZ2 TRP 26 -2.362 -5.118 6.686 213 HZ3 TRP 26 HZ3 TRP 26 -4.760 -5.812 3.213 214 HH2 TRP 26 HH TRP 26 -4.210 -6.279 5.551 215 H VAL 27 H VAL 27 0.084 0.357 0.523 216 HA VAL 27 HA VAL 27 -1.173 0.517 -2.161 217 HB VAL 27 HB VAL 27 -0.157 2.814 -2.508 218 HG11 VAL 27 1HG1 VAL 27 -2.315 2.673 -0.372 219 HG12 VAL 27 2HG1 VAL 27 -2.566 2.598 -2.118 220 HG13 VAL 27 3HG1 VAL 27 -1.952 4.079 -1.379 221 HG21 VAL 27 1HG2 VAL 27 1.497 2.776 -0.684 222 HG22 VAL 27 2HG2 VAL 27 0.201 2.780 0.516 223 HG23 VAL 27 3HG2 VAL 27 0.438 4.179 -0.535 224 H ILE 28 H ILE 28 0.308 0.492 -3.910 225 HA ILE 28 HA ILE 28 3.129 -0.100 -3.201 226 HB ILE 28 HB ILE 28 3.257 -1.883 -4.833 227 HG12 ILE 28 2HG1 ILE 28 0.771 -2.643 -5.795 228 HG13 ILE 28 1HG1 ILE 28 0.583 -0.898 -5.814 229 HG21 ILE 28 1HG2 ILE 28 2.479 -2.537 -2.631 230 HG22 ILE 28 2HG2 ILE 28 1.666 -3.524 -3.838 231 HG23 ILE 28 3HG2 ILE 28 0.803 -2.198 -3.072 232 HD11 ILE 28 1HD1 ILE 28 2.754 -2.439 -7.229 233 HD12 ILE 28 2HD1 ILE 28 2.489 -0.694 -7.299 234 HD13 ILE 28 3HD1 ILE 28 1.282 -1.796 -7.961 235 H LEU 29 H LEU 29 4.613 1.029 -4.330 236 HA LEU 29 HA LEU 29 3.633 3.110 -6.138 237 HB2 LEU 29 2HB LEU 29 5.680 4.209 -5.895 238 HB3 LEU 29 1HB LEU 29 5.443 3.468 -4.327 239 HG LEU 29 HG LEU 29 7.318 2.430 -6.494 240 HD11 LEU 29 1HD1 LEU 29 9.134 3.217 -5.063 241 HD12 LEU 29 2HD1 LEU 29 7.963 3.919 -3.941 242 HD13 LEU 29 3HD1 LEU 29 8.103 4.542 -5.590 243 HD21 LEU 29 1HD2 LEU 29 6.981 1.499 -3.634 244 HD22 LEU 29 2HD2 LEU 29 8.217 0.940 -4.758 245 HD23 LEU 29 3HD2 LEU 29 6.519 0.607 -5.084 246 H HIS 30 H HIS 30 5.132 0.037 -6.346 247 HA HIS 30 HA HIS 30 4.751 -0.338 -9.078 248 HB2 HIS 30 2HB HIS 30 6.715 1.210 -9.340 249 HB3 HIS 30 1HB HIS 30 7.691 0.125 -8.354 250 HD1 HIS 30 HD1 HIS 30 9.270 -1.010 -9.906 251 HD2 HIS 30 HD2 HIS 30 5.486 -0.675 -11.580 252 HE1 HIS 30 HE1 HIS 30 9.406 -2.163 -12.121 253 HE2 HIS 30 HE2 HIS 30 7.168 -1.778 -13.197 254 H HIS 31 H HIS 31 7.241 -1.185 -6.645 255 HA HIS 31 HA HIS 31 6.448 -4.045 -6.804 256 HB2 HIS 31 2HB HIS 31 8.469 -3.807 -8.146 257 HB3 HIS 31 1HB HIS 31 9.267 -2.872 -6.888 258 HD1 HIS 31 HD1 HIS 31 10.828 -4.188 -5.470 259 HD2 HIS 31 HD2 HIS 31 7.922 -6.615 -7.175 260 HE1 HIS 31 HE1 HIS 31 11.345 -6.505 -4.688 261 HE2 HIS 31 HE2 HIS 31 9.420 -7.882 -5.499 262 H LYS 32 H LYS 32 7.122 -1.364 -4.737 263 HA LYS 32 HA LYS 32 7.536 -3.151 -2.390 264 HB2 LYS 32 2HB LYS 32 8.072 -0.154 -2.594 265 HB3 LYS 32 1HB LYS 32 8.407 -1.169 -1.191 266 HG2 LYS 32 2HG LYS 32 9.733 -1.437 -3.916 267 HG3 LYS 32 1HG LYS 32 10.438 -0.642 -2.506 268 HD2 LYS 32 2HD LYS 32 9.639 -3.584 -2.581 269 HD3 LYS 32 1HD LYS 32 11.266 -2.991 -2.911 270 HE2 LYS 32 2HE LYS 32 11.324 -2.011 -0.618 271 HE3 LYS 32 1HE LYS 32 9.744 -2.733 -0.305 272 HZ1 LYS 32 1HZ LYS 32 12.227 -4.207 -0.983 273 HZ2 LYS 32 2HZ LYS 32 10.722 -4.908 -0.672 274 HZ3 LYS 32 3HZ LYS 32 11.538 -4.086 0.555 275 H VAL 33 H VAL 33 6.020 -3.194 -0.802 276 HA VAL 33 HA VAL 33 3.570 -1.601 -1.155 277 HB VAL 33 HB VAL 33 3.242 -4.047 -1.010 278 HG11 VAL 33 1HG1 VAL 33 4.472 -3.890 1.759 279 HG12 VAL 33 2HG1 VAL 33 5.185 -4.663 0.343 280 HG13 VAL 33 3HG1 VAL 33 3.709 -5.312 1.049 281 HG21 VAL 33 1HG2 VAL 33 1.516 -4.115 0.759 282 HG22 VAL 33 2HG2 VAL 33 1.446 -2.600 -0.143 283 HG23 VAL 33 3HG2 VAL 33 2.173 -2.634 1.464 284 H TYR 34 H TYR 34 2.798 -0.292 0.429 285 HA TYR 34 HA TYR 34 4.500 0.394 2.743 286 HB2 TYR 34 2HB TYR 34 2.857 2.309 1.002 287 HB3 TYR 34 1HB TYR 34 3.812 2.764 2.410 288 HD1 TYR 34 HD1 TYR 34 6.272 2.800 2.314 289 HD2 TYR 34 HD2 TYR 34 3.958 1.763 -1.138 290 HE1 TYR 34 HE1 TYR 34 8.251 3.077 0.893 291 HE2 TYR 34 HE2 TYR 34 5.933 2.054 -2.543 292 HH TYR 34 HH TYR 34 9.059 2.223 -1.305 293 H ASP 35 H ASP 35 3.331 1.297 4.507 294 HA ASP 35 HA ASP 35 0.888 -0.171 5.055 295 HB2 ASP 35 2HB ASP 35 2.826 -0.243 6.636 296 HB3 ASP 35 1HB ASP 35 2.704 1.495 6.866 297 H LEU 36 H LEU 36 -0.790 0.903 4.149 298 HA LEU 36 HA LEU 36 -0.969 3.824 4.371 299 HB2 LEU 36 2HB LEU 36 -1.439 2.255 2.215 300 HB3 LEU 36 1HB LEU 36 -3.055 2.252 2.882 301 HG LEU 36 HG LEU 36 -2.776 3.964 1.110 302 HD11 LEU 36 1HD1 LEU 36 -4.420 4.394 2.862 303 HD12 LEU 36 2HD1 LEU 36 -3.738 5.875 2.199 304 HD13 LEU 36 3HD1 LEU 36 -3.206 5.292 3.779 305 HD21 LEU 36 1HD2 LEU 36 -0.759 5.305 2.932 306 HD22 LEU 36 2HD2 LEU 36 -1.356 5.920 1.388 307 HD23 LEU 36 3HD2 LEU 36 -0.390 4.453 1.436 308 H THR 37 H THR 37 -2.242 0.972 5.818 309 HA THR 37 HA THR 37 -4.677 1.844 6.824 310 HB THR 37 HB THR 37 -4.245 -0.457 7.097 311 HG1 THR 37 HG1 THR 37 -5.191 0.816 8.984 312 HG21 THR 37 1HG2 THR 37 -1.787 -0.472 7.128 313 HG22 THR 37 2HG2 THR 37 -2.434 -1.422 8.469 314 HG23 THR 37 3HG2 THR 37 -1.794 0.196 8.762 315 H LYS 38 H LYS 38 -1.420 2.369 8.295 316 HA LYS 38 HA LYS 38 -2.462 3.940 10.478 317 HB2 LYS 38 2HB LYS 38 0.366 3.752 9.358 318 HB3 LYS 38 1HB LYS 38 -0.050 4.709 10.770 319 HG2 LYS 38 2HG LYS 38 -0.613 1.737 10.715 320 HG3 LYS 38 1HG LYS 38 1.001 2.341 11.077 321 HD2 LYS 38 2HD LYS 38 -0.140 1.907 13.152 322 HD3 LYS 38 1HD LYS 38 0.050 3.649 12.983 323 HE2 LYS 38 2HE LYS 38 -2.157 3.113 13.872 324 HE3 LYS 38 1HE LYS 38 -2.327 3.810 12.244 325 HZ1 LYS 38 1HZ LYS 38 -2.566 1.553 11.378 326 HZ2 LYS 38 2HZ LYS 38 -3.754 1.899 12.530 327 HZ3 LYS 38 3HZ LYS 38 -2.442 0.914 12.940 328 H PHE 39 H PHE 39 -1.350 4.565 7.256 329 HA PHE 39 HA PHE 39 -0.741 7.308 7.391 330 HB2 PHE 39 2HB PHE 39 -0.126 5.470 5.641 331 HB3 PHE 39 1HB PHE 39 -1.664 5.843 4.888 332 HD1 PHE 39 HD1 PHE 39 1.760 7.019 5.550 333 HD2 PHE 39 HD2 PHE 39 -1.958 7.967 3.640 334 HE1 PHE 39 HE1 PHE 39 2.879 8.739 4.207 335 HE2 PHE 39 HE2 PHE 39 -0.818 9.690 2.308 336 HZ PHE 39 HZ PHE 39 1.603 10.064 2.574 337 H LEU 40 H LEU 40 -3.760 5.610 6.536 338 HA LEU 40 HA LEU 40 -5.253 7.938 5.823 339 HB2 LEU 40 2HB LEU 40 -7.233 6.449 5.896 340 HB3 LEU 40 1HB LEU 40 -5.929 5.813 4.919 341 HG LEU 40 HG LEU 40 -5.384 4.424 7.172 342 HD11 LEU 40 1HD1 LEU 40 -8.369 4.852 7.438 343 HD12 LEU 40 2HD1 LEU 40 -7.131 5.423 8.555 344 HD13 LEU 40 3HD1 LEU 40 -7.398 3.695 8.352 345 HD21 LEU 40 1HD2 LEU 40 -5.840 3.390 5.019 346 HD22 LEU 40 2HD2 LEU 40 -7.574 3.631 5.239 347 HD23 LEU 40 3HD2 LEU 40 -6.689 2.536 6.306 348 H GLU 41 H GLU 41 -4.581 6.289 8.836 349 HA GLU 41 HA GLU 41 -6.621 7.580 10.413 350 HB2 GLU 41 2HB GLU 41 -4.175 5.933 11.206 351 HB3 GLU 41 1HB GLU 41 -5.342 6.558 12.371 352 HG2 GLU 41 2HG GLU 41 -7.119 5.219 11.387 353 HG3 GLU 41 1HG GLU 41 -6.034 4.661 10.113 354 H GLU 42 H GLU 42 -3.347 8.349 9.477 355 HA GLU 42 HA GLU 42 -2.678 10.129 11.572 356 HB2 GLU 42 2HB GLU 42 -1.662 10.105 8.711 357 HB3 GLU 42 1HB GLU 42 -0.910 10.978 10.039 358 HG2 GLU 42 2HG GLU 42 -1.129 7.988 9.682 359 HG3 GLU 42 1HG GLU 42 0.332 8.967 9.612 360 H TRP 43 H TRP 43 -3.265 11.189 8.218 361 HA TRP 43 HA TRP 43 -4.127 13.809 9.304 362 HB2 TRP 43 2HB TRP 43 -3.117 13.164 6.509 363 HB3 TRP 43 1HB TRP 43 -3.649 14.749 7.041 364 HD1 TRP 43 HD TRP 43 -1.246 12.619 9.198 365 HE1 TRP 43 HE1 TRP 43 1.037 13.785 9.264 366 HE3 TRP 43 HE3 TRP 43 -2.159 16.320 5.823 367 HZ2 TRP 43 HZ2 TRP 43 2.294 15.983 8.036 368 HZ3 TRP 43 HZ3 TRP 43 -0.363 17.914 5.314 369 HH2 TRP 43 HH TRP 43 1.818 17.750 6.397 370 HA PRO 44 HA PRO 44 -7.320 13.090 5.632 371 HB2 PRO 44 2HB PRO 44 -7.463 10.075 5.484 372 HB3 PRO 44 1HB PRO 44 -7.520 11.272 4.171 373 HG2 PRO 44 2HG PRO 44 -5.318 9.849 4.526 374 HG3 PRO 44 1HG PRO 44 -5.201 11.592 4.166 375 HD2 PRO 44 2HD PRO 44 -4.936 10.200 6.831 376 HD3 PRO 44 1HD PRO 44 -3.932 11.483 6.123 377 H GLY 45 H GLY 45 -7.272 10.560 8.120 378 HA2 GLY 45 2HA GLY 45 -8.779 9.757 9.618 379 HA3 GLY 45 1HA GLY 45 -9.496 11.363 9.604 380 H GLY 46 H GLY 46 -9.481 9.796 6.548 381 HA2 GLY 46 2HA GLY 46 -12.199 8.707 6.765 382 HA3 GLY 46 1HA GLY 46 -11.953 10.096 5.705 383 H GLU 47 H GLU 47 -10.874 6.867 6.404 384 HA GLU 47 HA GLU 47 -9.061 6.310 4.450 385 HB2 GLU 47 2HB GLU 47 -9.525 3.954 4.809 386 HB3 GLU 47 1HB GLU 47 -9.580 4.806 6.342 387 HG2 GLU 47 2HG GLU 47 -11.951 3.784 4.739 388 HG3 GLU 47 1HG GLU 47 -11.321 3.114 6.244 389 H GLU 48 H GLU 48 -12.565 6.481 3.991 390 HA GLU 48 HA GLU 48 -13.103 4.844 1.867 391 HB2 GLU 48 2HB GLU 48 -14.893 6.552 1.259 392 HB3 GLU 48 1HB GLU 48 -14.873 6.022 2.939 393 HG2 GLU 48 2HG GLU 48 -13.759 8.109 3.620 394 HG3 GLU 48 1HG GLU 48 -13.695 8.643 1.938 395 H VAL 49 H VAL 49 -11.587 8.064 1.652 396 HA VAL 49 HA VAL 49 -11.824 8.514 -1.102 397 HB VAL 49 HB VAL 49 -11.294 10.254 0.606 398 HG11 VAL 49 1HG1 VAL 49 -9.005 10.613 1.422 399 HG12 VAL 49 2HG1 VAL 49 -8.466 9.145 0.604 400 HG13 VAL 49 3HG1 VAL 49 -9.617 9.038 1.936 401 HG21 VAL 49 1HG2 VAL 49 -9.319 10.178 -1.697 402 HG22 VAL 49 2HG2 VAL 49 -9.755 11.609 -0.764 403 HG23 VAL 49 3HG2 VAL 49 -10.973 10.804 -1.754 404 H LEU 50 H LEU 50 -9.460 6.652 0.684 405 HA LEU 50 HA LEU 50 -7.779 6.190 -1.726 406 HB2 LEU 50 2HB LEU 50 -6.000 5.597 0.055 407 HB3 LEU 50 1HB LEU 50 -6.426 7.277 -0.163 408 HG LEU 50 HG LEU 50 -8.033 6.915 1.885 409 HD11 LEU 50 1HD1 LEU 50 -7.269 5.249 3.508 410 HD12 LEU 50 2HD1 LEU 50 -6.138 4.596 2.320 411 HD13 LEU 50 3HD1 LEU 50 -7.877 4.506 2.033 412 HD21 LEU 50 1HD2 LEU 50 -5.027 7.049 2.293 413 HD22 LEU 50 2HD2 LEU 50 -6.254 7.521 3.468 414 HD23 LEU 50 3HD2 LEU 50 -6.101 8.410 1.955 415 H ARG 51 H ARG 51 -9.944 4.772 0.421 416 HA ARG 51 HA ARG 51 -8.954 2.180 0.861 417 HB2 ARG 51 2HB ARG 51 -10.880 3.331 2.065 418 HB3 ARG 51 1HB ARG 51 -11.882 3.003 0.658 419 HG2 ARG 51 2HG ARG 51 -11.225 0.490 1.099 420 HG3 ARG 51 1HG ARG 51 -10.764 1.077 2.699 421 HD2 ARG 51 2HD ARG 51 -13.501 1.219 1.408 422 HD3 ARG 51 1HD ARG 51 -13.028 0.237 2.794 423 HE ARG 51 HE ARG 51 -12.540 2.827 3.566 424 HH11 ARG 51 1HH1 ARG 51 -15.376 1.074 2.461 425 HH12 ARG 51 2HH1 ARG 51 -16.488 2.070 3.337 426 HH21 ARG 51 1HH2 ARG 51 -14.041 4.144 4.689 427 HH22 ARG 51 2HH2 ARG 51 -15.733 3.799 4.591 428 H GLU 52 H GLU 52 -11.147 3.503 -1.617 429 HA GLU 52 HA GLU 52 -11.906 1.046 -2.814 430 HB2 GLU 52 2HB GLU 52 -12.747 2.437 -4.705 431 HB3 GLU 52 1HB GLU 52 -13.252 3.057 -3.136 432 HG2 GLU 52 2HG GLU 52 -11.755 4.899 -3.240 433 HG3 GLU 52 1HG GLU 52 -10.824 4.178 -4.552 434 H GLN 53 H GLN 53 -9.091 3.013 -3.240 435 HA GLN 53 HA GLN 53 -8.169 1.449 -5.580 436 HB2 GLN 53 2HB GLN 53 -6.981 3.648 -6.228 437 HB3 GLN 53 1HB GLN 53 -8.716 3.566 -6.491 438 HG2 GLN 53 2HG GLN 53 -9.160 5.251 -5.030 439 HG3 GLN 53 1HG GLN 53 -8.014 4.658 -3.836 440 HE21 GLN 53 1HE2 GLN 53 -6.978 5.494 -7.118 441 HE22 GLN 53 2HE2 GLN 53 -6.106 6.905 -6.640 442 H ALA 54 H ALA 54 -7.701 0.942 -2.777 443 HA ALA 54 HA ALA 54 -4.993 1.707 -2.151 444 HB1 ALA 54 1HB ALA 54 -5.217 0.145 -0.259 445 HB2 ALA 54 2HB ALA 54 -6.744 -0.445 -0.921 446 HB3 ALA 54 3HB ALA 54 -6.615 1.222 -0.364 447 H GLY 55 H GLY 55 -3.155 0.660 -2.766 448 HA2 GLY 55 2HA GLY 55 -1.808 -1.155 -3.460 449 HA3 GLY 55 1HA GLY 55 -3.247 -2.056 -3.895 450 H GLY 56 H GLY 56 -4.098 0.688 -5.248 451 HA2 GLY 56 2HA GLY 56 -3.443 0.007 -7.903 452 HA3 GLY 56 1HA GLY 56 -4.099 1.547 -7.368 453 H ASP 57 H ASP 57 -2.339 2.790 -5.991 454 HA ASP 57 HA ASP 57 0.362 2.576 -7.066 455 HB2 ASP 57 2HB ASP 57 -0.743 4.007 -8.756 456 HB3 ASP 57 1HB ASP 57 -1.370 5.064 -7.495 457 H ALA 58 H ALA 58 1.817 4.110 -5.935 458 HA ALA 58 HA ALA 58 0.821 5.195 -3.383 459 HB1 ALA 58 1HB ALA 58 2.213 3.187 -2.911 460 HB2 ALA 58 2HB ALA 58 2.964 4.667 -2.312 461 HB3 ALA 58 3HB ALA 58 3.555 3.922 -3.796 462 H THR 59 H THR 59 3.171 5.327 -6.051 463 HA THR 59 HA THR 59 4.933 7.243 -5.298 464 HB THR 59 HB THR 59 3.855 7.112 -8.148 465 HG1 THR 59 HG1 THR 59 4.381 5.093 -8.064 466 HG21 THR 59 1HG2 THR 59 6.204 7.582 -8.772 467 HG22 THR 59 2HG2 THR 59 6.657 7.661 -7.067 468 HG23 THR 59 3HG2 THR 59 5.559 8.864 -7.748 469 H GLU 60 H GLU 60 1.970 7.976 -7.161 470 HA GLU 60 HA GLU 60 2.095 10.813 -6.383 471 HB2 GLU 60 2HB GLU 60 1.814 10.321 -8.782 472 HB3 GLU 60 1HB GLU 60 0.365 9.383 -8.439 473 HG2 GLU 60 2HG GLU 60 -0.846 11.368 -7.760 474 HG3 GLU 60 1HG GLU 60 0.624 12.346 -7.824 475 H ASN 61 H ASN 61 0.366 7.853 -5.786 476 HA ASN 61 HA ASN 61 -2.221 8.824 -5.239 477 HB2 ASN 61 2HB ASN 61 -1.618 6.451 -5.773 478 HB3 ASN 61 1HB ASN 61 -0.907 6.289 -4.172 479 HD21 ASN 61 1HD2 ASN 61 -3.921 7.927 -5.080 480 HD22 ASN 61 2HD2 ASN 61 -4.955 6.876 -4.196 481 H PHE 62 H PHE 62 0.533 8.224 -3.084 482 HA PHE 62 HA PHE 62 -0.841 8.459 -0.647 483 HB2 PHE 62 2HB PHE 62 1.421 8.670 0.426 484 HB3 PHE 62 1HB PHE 62 1.222 7.263 -0.586 485 HD1 PHE 62 HD1 PHE 62 2.343 10.802 -1.417 486 HD2 PHE 62 HD2 PHE 62 3.334 6.644 -1.361 487 HE1 PHE 62 HE1 PHE 62 4.503 11.293 -2.444 488 HE2 PHE 62 HE2 PHE 62 5.499 7.162 -2.403 489 HZ PHE 62 HZ PHE 62 6.088 9.483 -2.943 490 H GLU 63 H GLU 63 0.372 10.904 -2.812 491 HA GLU 63 HA GLU 63 -0.049 13.020 -0.805 492 HB2 GLU 63 2HB GLU 63 2.042 13.089 -2.204 493 HB3 GLU 63 1HB GLU 63 1.041 13.276 -3.645 494 HG2 GLU 63 2HG GLU 63 0.114 15.400 -2.642 495 HG3 GLU 63 1HG GLU 63 1.257 15.216 -1.316 496 H ASP 64 H ASP 64 -1.520 11.590 -3.639 497 HA ASP 64 HA ASP 64 -3.229 13.730 -4.409 498 HB2 ASP 64 2HB ASP 64 -2.724 11.696 -5.869 499 HB3 ASP 64 1HB ASP 64 -3.739 10.735 -4.806 500 H VAL 65 H VAL 65 -3.970 10.730 -2.701 501 HA VAL 65 HA VAL 65 -6.445 11.841 -1.541 502 HB VAL 65 HB VAL 65 -6.995 9.440 -1.053 503 HG11 VAL 65 1HG1 VAL 65 -6.268 10.012 -3.948 504 HG12 VAL 65 2HG1 VAL 65 -7.759 10.512 -3.139 505 HG13 VAL 65 3HG1 VAL 65 -7.427 8.799 -3.389 506 HG21 VAL 65 1HG2 VAL 65 -4.426 8.828 -2.590 507 HG22 VAL 65 2HG2 VAL 65 -5.623 7.642 -2.065 508 HG23 VAL 65 3HG2 VAL 65 -4.688 8.536 -0.866 509 H GLY 66 H GLY 66 -3.229 11.034 -0.651 510 HA2 GLY 66 2HA GLY 66 -3.811 10.339 2.130 511 HA3 GLY 66 1HA GLY 66 -2.239 10.408 1.357 512 H PHE 67 H PHE 67 -0.959 12.155 1.754 513 HA PHE 67 HA PHE 67 -2.033 14.320 3.473 514 HB2 PHE 67 2HB PHE 67 0.882 13.512 3.012 515 HB3 PHE 67 1HB PHE 67 0.301 14.676 4.190 516 HD1 PHE 67 HD1 PHE 67 2.105 12.855 5.223 517 HD2 PHE 67 HD2 PHE 67 -2.064 12.169 4.543 518 HE1 PHE 67 HE1 PHE 67 2.087 11.097 6.931 519 HE2 PHE 67 HE2 PHE 67 -2.044 10.421 6.242 520 HZ PHE 67 HZ PHE 67 0.028 9.884 7.440 521 H SER 68 H SER 68 -0.449 16.379 3.182 522 HA SER 68 HA SER 68 -0.438 17.288 0.432 523 HB2 SER 68 2HB SER 68 0.647 19.338 1.466 524 HB3 SER 68 1HB SER 68 -0.906 18.909 2.181 525 HG SER 68 HG SER 68 1.637 18.220 3.276 526 H THR 69 H THR 69 2.242 18.693 0.772 527 HA THR 69 HA THR 69 3.798 16.999 -0.800 528 HB THR 69 HB THR 69 5.689 18.625 -0.288 529 HG1 THR 69 HG1 THR 69 5.245 19.221 1.810 530 HG21 THR 69 1HG2 THR 69 4.605 20.596 -1.300 531 HG22 THR 69 2HG2 THR 69 3.015 19.925 -0.931 532 HG23 THR 69 3HG2 THR 69 4.062 19.115 -2.097 533 H ASP 70 H ASP 70 3.484 16.997 2.627 534 HA ASP 70 HA ASP 70 5.951 15.964 3.502 535 HB2 ASP 70 2HB ASP 70 3.179 15.589 4.722 536 HB3 ASP 70 1HB ASP 70 4.711 15.349 5.565 537 H ALA 71 H ALA 71 3.290 14.459 1.925 538 HA ALA 71 HA ALA 71 3.217 11.878 2.925 539 HB1 ALA 71 1HB ALA 71 2.570 12.810 0.109 540 HB2 ALA 71 2HB ALA 71 1.477 12.872 1.496 541 HB3 ALA 71 3HB ALA 71 2.012 11.316 0.855 542 H ARG 72 H ARG 72 5.558 13.255 0.664 543 HA ARG 72 HA ARG 72 6.406 10.856 -0.537 544 HB2 ARG 72 2HB ARG 72 8.628 12.133 -0.988 545 HB3 ARG 72 1HB ARG 72 7.146 12.675 -1.743 546 HG2 ARG 72 2HG ARG 72 8.318 14.611 -1.109 547 HG3 ARG 72 1HG ARG 72 6.982 14.457 0.023 548 HD2 ARG 72 2HD ARG 72 9.007 15.191 1.152 549 HD3 ARG 72 1HD ARG 72 8.528 13.593 1.728 550 HE ARG 72 HE ARG 72 10.344 13.131 -0.293 551 HH11 ARG 72 1HH1 ARG 72 10.466 14.860 2.801 552 HH12 ARG 72 2HH1 ARG 72 12.162 14.562 3.016 553 HH21 ARG 72 1HH2 ARG 72 12.558 12.773 0.046 554 HH22 ARG 72 2HH2 ARG 72 13.333 13.389 1.471 555 H GLU 73 H GLU 73 7.484 12.356 2.506 556 HA GLU 73 HA GLU 73 9.574 10.304 2.852 557 HB2 GLU 73 2HB GLU 73 10.219 11.615 4.884 558 HB3 GLU 73 1HB GLU 73 10.280 12.548 3.396 559 HG2 GLU 73 2HG GLU 73 8.163 13.643 3.964 560 HG3 GLU 73 1HG GLU 73 8.034 12.673 5.429 561 H LEU 74 H LEU 74 6.417 11.183 4.079 562 HA LEU 74 HA LEU 74 6.455 9.521 6.389 563 HB2 LEU 74 2HB LEU 74 4.326 11.041 4.911 564 HB3 LEU 74 1HB LEU 74 3.803 9.787 6.016 565 HG LEU 74 HG LEU 74 3.725 11.882 7.187 566 HD11 LEU 74 1HD1 LEU 74 5.151 11.460 9.115 567 HD12 LEU 74 2HD1 LEU 74 6.124 10.321 8.181 568 HD13 LEU 74 3HD1 LEU 74 4.425 9.970 8.518 569 HD21 LEU 74 1HD2 LEU 74 5.258 13.210 5.843 570 HD22 LEU 74 2HD2 LEU 74 6.642 12.328 6.493 571 HD23 LEU 74 3HD2 LEU 74 5.656 13.343 7.553 572 H SER 75 H SER 75 5.615 8.930 3.012 573 HA SER 75 HA SER 75 4.469 6.338 3.400 574 HB2 SER 75 2HB SER 75 4.928 6.054 0.957 575 HB3 SER 75 1HB SER 75 4.092 7.566 1.325 576 HG SER 75 HG SER 75 5.699 8.570 0.455 577 H LYS 76 H LYS 76 7.745 7.541 2.766 578 HA LYS 76 HA LYS 76 9.139 5.206 2.195 579 HB2 LYS 76 2HB LYS 76 10.126 7.634 3.748 580 HB3 LYS 76 1HB LYS 76 11.175 6.406 3.051 581 HG2 LYS 76 2HG LYS 76 9.316 8.187 1.459 582 HG3 LYS 76 1HG LYS 76 11.027 8.515 1.729 583 HD2 LYS 76 2HD LYS 76 9.938 6.050 0.303 584 HD3 LYS 76 1HD LYS 76 10.538 7.501 -0.506 585 HE2 LYS 76 2HE LYS 76 12.766 7.143 0.503 586 HE3 LYS 76 1HE LYS 76 12.168 5.687 1.307 587 HZ1 LYS 76 1HZ LYS 76 12.348 6.127 -1.621 588 HZ2 LYS 76 2HZ LYS 76 11.706 4.749 -0.886 589 HZ3 LYS 76 3HZ LYS 76 13.344 5.123 -0.694 590 H LYS 77 H LYS 77 8.682 6.730 5.385 591 HA LYS 77 HA LYS 77 10.076 4.677 6.825 592 HB2 LYS 77 2HB LYS 77 9.208 5.867 8.866 593 HB3 LYS 77 1HB LYS 77 10.105 6.890 7.751 594 HG2 LYS 77 2HG LYS 77 8.035 7.866 6.900 595 HG3 LYS 77 1HG LYS 77 7.071 6.770 7.894 596 HD2 LYS 77 2HD LYS 77 8.998 8.863 8.983 597 HD3 LYS 77 1HD LYS 77 7.251 9.073 8.853 598 HE2 LYS 77 2HE LYS 77 6.896 7.204 10.423 599 HE3 LYS 77 1HE LYS 77 8.639 6.944 10.525 600 HZ1 LYS 77 1HZ LYS 77 7.745 8.214 12.398 601 HZ2 LYS 77 2HZ LYS 77 7.265 9.449 11.343 602 HZ3 LYS 77 3HZ LYS 77 8.905 9.082 11.528 603 H TYR 78 H TYR 78 6.810 5.001 5.729 604 HA TYR 78 HA TYR 78 5.738 2.969 7.536 605 HB2 TYR 78 2HB TYR 78 4.517 4.620 5.289 606 HB3 TYR 78 1HB TYR 78 3.646 3.265 6.000 607 HD1 TYR 78 HD1 TYR 78 5.767 5.477 8.111 608 HD2 TYR 78 HD2 TYR 78 1.797 4.687 6.735 609 HE1 TYR 78 HE1 TYR 78 4.875 6.987 9.819 610 HE2 TYR 78 HE2 TYR 78 0.910 6.198 8.450 611 HH TYR 78 HH TYR 78 1.569 7.120 10.618 612 H ILE 79 H ILE 79 7.902 2.535 5.243 613 HA ILE 79 HA ILE 79 6.675 0.796 3.368 614 HB ILE 79 HB ILE 79 8.853 1.849 2.888 615 HG12 ILE 79 2HG1 ILE 79 8.971 -1.197 2.788 616 HG13 ILE 79 1HG1 ILE 79 8.122 -0.166 1.640 617 HG21 ILE 79 1HG2 ILE 79 10.976 1.015 3.816 618 HG22 ILE 79 2HG2 ILE 79 10.091 -0.069 4.892 619 HG23 ILE 79 3HG2 ILE 79 9.946 1.678 5.087 620 HD11 ILE 79 1HD1 ILE 79 11.102 -0.222 2.088 621 HD12 ILE 79 2HD1 ILE 79 10.239 0.810 0.943 622 HD13 ILE 79 3HD1 ILE 79 10.218 -0.936 0.746 623 H ILE 80 H ILE 80 5.694 -1.023 3.858 624 HA ILE 80 HA ILE 80 6.226 -2.334 6.426 625 HB ILE 80 HB ILE 80 3.912 -1.550 5.764 626 HG12 ILE 80 2HG1 ILE 80 4.097 -4.533 6.348 627 HG13 ILE 80 1HG1 ILE 80 4.318 -3.259 7.543 628 HG21 ILE 80 1HG2 ILE 80 3.921 -3.893 3.834 629 HG22 ILE 80 2HG2 ILE 80 3.914 -2.185 3.390 630 HG23 ILE 80 3HG2 ILE 80 2.532 -2.878 4.239 631 HD11 ILE 80 1HD1 ILE 80 2.103 -4.216 7.685 632 HD12 ILE 80 2HD1 ILE 80 1.787 -3.805 5.999 633 HD13 ILE 80 3HD1 ILE 80 2.019 -2.526 7.194 634 H GLY 81 H GLY 81 6.576 -2.889 3.002 635 HA2 GLY 81 2HA GLY 81 8.397 -5.002 3.291 636 HA3 GLY 81 1HA GLY 81 6.814 -5.697 2.948 637 H GLU 82 H GLU 82 7.719 -6.527 1.011 638 HA GLU 82 HA GLU 82 7.568 -4.537 -1.181 639 HB2 GLU 82 2HB GLU 82 8.813 -6.050 -2.621 640 HB3 GLU 82 1HB GLU 82 9.758 -5.708 -1.177 641 HG2 GLU 82 2HG GLU 82 9.310 -7.884 -0.258 642 HG3 GLU 82 1HG GLU 82 8.110 -8.227 -1.506 643 H LEU 83 H LEU 83 6.100 -4.945 -2.746 644 HA LEU 83 HA LEU 83 4.129 -7.028 -2.485 645 HB2 LEU 83 2HB LEU 83 3.962 -4.560 -3.518 646 HB3 LEU 83 1HB LEU 83 4.507 -5.349 -4.986 647 HG LEU 83 HG LEU 83 2.047 -5.031 -4.882 648 HD11 LEU 83 1HD1 LEU 83 2.908 -6.866 -6.249 649 HD12 LEU 83 2HD1 LEU 83 1.321 -7.232 -5.579 650 HD13 LEU 83 3HD1 LEU 83 2.766 -7.967 -4.877 651 HD21 LEU 83 1HD2 LEU 83 2.111 -6.961 -2.543 652 HD22 LEU 83 2HD2 LEU 83 0.665 -6.348 -3.347 653 HD23 LEU 83 3HD2 LEU 83 1.722 -5.238 -2.478 654 H HIS 84 H HIS 84 4.005 -8.893 -3.841 655 HA HIS 84 HA HIS 84 6.417 -10.060 -4.737 656 HB2 HIS 84 2HB HIS 84 3.526 -10.799 -5.340 657 HB3 HIS 84 1HB HIS 84 4.900 -11.776 -5.845 658 HD1 HIS 84 HD1 HIS 84 2.475 -12.258 -3.657 659 HD2 HIS 84 HD2 HIS 84 6.560 -11.885 -3.050 660 HE1 HIS 84 HE1 HIS 84 2.945 -13.448 -1.501 661 HE2 HIS 84 HE2 HIS 84 5.454 -13.429 -1.304 662 HA PRO 85 HA PRO 85 7.055 -7.990 -8.697 663 HB2 PRO 85 2HB PRO 85 8.209 -10.665 -9.496 664 HB3 PRO 85 1HB PRO 85 8.922 -9.044 -9.627 665 HG2 PRO 85 2HG PRO 85 9.763 -10.693 -7.731 666 HG3 PRO 85 1HG PRO 85 9.531 -8.964 -7.379 667 HD2 PRO 85 2HD PRO 85 7.765 -11.285 -6.638 668 HD3 PRO 85 1HD PRO 85 8.176 -9.835 -5.696 669 H ASP 86 H ASP 86 5.409 -11.097 -8.480 670 HA ASP 86 HA ASP 86 4.493 -11.136 -11.235 671 HB2 ASP 86 2HB ASP 86 5.038 -13.245 -10.032 672 HB3 ASP 86 1HB ASP 86 3.730 -12.934 -8.895 673 H ASP 87 H ASP 87 3.122 -10.426 -8.028 674 HA ASP 87 HA ASP 87 0.378 -10.378 -8.922 675 HB2 ASP 87 2HB ASP 87 1.658 -9.463 -6.317 676 HB3 ASP 87 1HB ASP 87 -0.077 -9.404 -6.609 677 H ARG 88 H ARG 88 2.901 -7.973 -8.388 678 HA ARG 88 HA ARG 88 1.276 -5.656 -8.390 679 HB2 ARG 88 2HB ARG 88 3.349 -4.392 -8.585 680 HB3 ARG 88 1HB ARG 88 3.583 -5.729 -7.480 681 HG2 ARG 88 2HG ARG 88 5.560 -5.886 -8.642 682 HG3 ARG 88 1HG ARG 88 4.568 -6.936 -9.651 683 HD2 ARG 88 2HD ARG 88 4.137 -4.949 -11.156 684 HD3 ARG 88 1HD ARG 88 5.290 -4.031 -10.186 685 HE ARG 88 HE ARG 88 6.645 -6.283 -11.003 686 HH11 ARG 88 1HH1 ARG 88 4.994 -3.617 -12.624 687 HH12 ARG 88 2HH1 ARG 88 6.021 -3.679 -14.011 688 HH21 ARG 88 1HH2 ARG 88 7.988 -6.292 -12.865 689 HH22 ARG 88 2HH2 ARG 88 7.691 -5.176 -14.147 690 H SER 89 H SER 89 2.459 -7.668 -10.944 691 HA SER 89 HA SER 89 1.827 -5.729 -13.069 692 HB2 SER 89 2HB SER 89 2.974 -7.419 -14.533 693 HB3 SER 89 1HB SER 89 4.001 -6.824 -13.223 694 HG SER 89 HG SER 89 3.297 -9.337 -13.758 695 H LYS 90 H LYS 90 0.908 -8.963 -11.863 696 HA LYS 90 HA LYS 90 -0.872 -9.671 -13.959 697 HB2 LYS 90 2HB LYS 90 0.077 -11.365 -12.427 698 HB3 LYS 90 1HB LYS 90 -0.790 -10.660 -11.070 699 HG2 LYS 90 2HG LYS 90 -2.936 -11.315 -12.043 700 HG3 LYS 90 1HG LYS 90 -2.132 -11.915 -13.489 701 HD2 LYS 90 2HD LYS 90 -2.756 -13.797 -12.108 702 HD3 LYS 90 1HD LYS 90 -1.000 -13.659 -12.097 703 HE2 LYS 90 2HE LYS 90 -2.686 -12.470 -9.875 704 HE3 LYS 90 1HE LYS 90 -2.213 -14.165 -9.858 705 HZ1 LYS 90 1HZ LYS 90 -0.672 -12.869 -8.587 706 HZ2 LYS 90 2HZ LYS 90 -0.372 -11.838 -9.888 707 HZ3 LYS 90 3HZ LYS 90 0.110 -13.453 -9.965 708 H ILE 91 H ILE 91 -1.413 -8.284 -10.753 709 HA ILE 91 HA ILE 91 -4.248 -7.700 -11.320 710 HB ILE 91 HB ILE 91 -2.834 -7.432 -8.623 711 HG12 ILE 91 2HG1 ILE 91 -3.985 -9.999 -9.812 712 HG13 ILE 91 1HG1 ILE 91 -2.297 -9.687 -9.470 713 HG21 ILE 91 1HG2 ILE 91 -5.117 -6.499 -8.767 714 HG22 ILE 91 2HG2 ILE 91 -5.064 -7.877 -7.669 715 HG23 ILE 91 3HG2 ILE 91 -5.733 -8.069 -9.291 716 HD11 ILE 91 1HD1 ILE 91 -3.207 -11.143 -7.819 717 HD12 ILE 91 2HD1 ILE 91 -4.494 -10.001 -7.436 718 HD13 ILE 91 3HD1 ILE 91 -2.812 -9.597 -7.073 719 H ALA 92 H ALA 92 -1.782 -6.182 -12.319 720 HA ALA 92 HA ALA 92 -1.416 -3.721 -11.014 721 HB1 ALA 92 1HB ALA 92 -1.099 -4.322 -13.973 722 HB2 ALA 92 2HB ALA 92 0.124 -4.583 -12.730 723 HB3 ALA 92 3HB ALA 92 -0.403 -2.944 -13.113 724 H LYS 93 H LYS 93 -3.864 -4.776 -13.281 725 HA LYS 93 HA LYS 93 -5.207 -2.124 -13.176 726 HB2 LYS 93 2HB LYS 93 -5.543 -4.334 -15.264 727 HB3 LYS 93 1HB LYS 93 -6.263 -2.725 -15.314 728 HG2 LYS 93 2HG LYS 93 -4.074 -1.703 -15.651 729 HG3 LYS 93 1HG LYS 93 -3.271 -3.262 -15.443 730 HD2 LYS 93 2HD LYS 93 -5.213 -2.573 -17.696 731 HD3 LYS 93 1HD LYS 93 -3.456 -2.586 -17.840 732 HE2 LYS 93 2HE LYS 93 -3.431 -5.016 -17.374 733 HE3 LYS 93 1HE LYS 93 -5.184 -5.004 -17.187 734 HZ1 LYS 93 1HZ LYS 93 -4.546 -5.783 -19.377 735 HZ2 LYS 93 2HZ LYS 93 -3.713 -4.343 -19.691 736 HZ3 LYS 93 3HZ LYS 93 -5.393 -4.325 -19.499 737 HA PRO 94 HA PRO 94 -7.871 -5.134 -10.779 738 HB2 PRO 94 2HB PRO 94 -8.236 -2.986 -8.794 739 HB3 PRO 94 1HB PRO 94 -7.497 -4.582 -8.566 740 HG2 PRO 94 2HG PRO 94 -6.042 -2.296 -8.454 741 HG3 PRO 94 1HG PRO 94 -5.365 -3.831 -9.053 742 HD2 PRO 94 2HD PRO 94 -6.457 -1.508 -10.661 743 HD3 PRO 94 1HD PRO 94 -4.943 -2.417 -10.886 744 H SER 95 H SER 95 -10.206 -4.931 -10.244 745 HA SER 95 HA SER 95 -11.477 -3.656 -12.474 746 HB2 SER 95 2HB SER 95 -12.083 -5.935 -11.789 747 HB3 SER 95 1HB SER 95 -12.629 -5.345 -10.218 748 HG SER 95 HG SER 95 -14.361 -4.477 -11.118 749 H GLU 96 H GLU 96 -11.725 -3.280 -8.937 750 HA GLU 96 HA GLU 96 -13.579 -1.026 -9.162 751 HB2 GLU 96 2HB GLU 96 -13.807 -1.144 -6.775 752 HB3 GLU 96 1HB GLU 96 -13.829 -2.792 -7.375 753 HG2 GLU 96 2HG GLU 96 -11.476 -1.414 -6.026 754 HG3 GLU 96 1HG GLU 96 -12.558 -2.580 -5.271 755 H THR 97 H THR 97 -10.186 -1.466 -8.936 756 HA THR 97 HA THR 97 -9.649 1.233 -7.895 757 HB THR 97 HB THR 97 -7.823 -1.076 -8.625 758 HG1 THR 97 HG1 THR 97 -9.058 -1.286 -6.685 759 HG21 THR 97 1HG2 THR 97 -7.047 1.619 -7.460 760 HG22 THR 97 2HG2 THR 97 -6.579 1.001 -9.043 761 HG23 THR 97 3HG2 THR 97 -5.973 0.225 -7.579 762 H LEU 98 H LEU 98 -8.637 -0.713 -10.731 763 HA LEU 98 HA LEU 98 -7.766 -0.258 -12.733 764 HB2 LEU 98 2HB LEU 98 -10.080 0.931 -12.919 765 HB3 LEU 98 1HB LEU 98 -9.189 2.430 -12.773 766 HG LEU 98 HG LEU 98 -9.776 1.852 -15.133 767 HD11 LEU 98 1HD1 LEU 98 -7.833 3.279 -14.762 768 HD12 LEU 98 2HD1 LEU 98 -7.637 2.277 -16.195 769 HD13 LEU 98 3HD1 LEU 98 -6.782 1.859 -14.707 770 HD21 LEU 98 1HD2 LEU 98 -8.689 0.006 -16.299 771 HD22 LEU 98 2HD2 LEU 98 -9.680 -0.582 -14.967 772 HD23 LEU 98 3HD2 LEU 98 -7.923 -0.523 -14.798
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