NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
551381 | 2llf | 18046 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA PRO 1 HA PRO 1 1.844 0.806 -1.891 2 HB2 PRO 1 2HB PRO 1 4.255 -0.324 -1.359 3 HB3 PRO 1 3HB PRO 1 3.797 1.282 -0.777 4 HG2 PRO 1 2HG PRO 1 3.762 -1.338 0.671 5 HG3 PRO 1 3HG PRO 1 4.307 0.250 1.243 6 HD2 PRO 1 2HD PRO 1 1.887 -0.780 1.888 7 HD3 PRO 1 3HD PRO 1 2.162 0.963 1.693 8 H ARG 2 H ARG 2 2.113 -2.341 -0.264 9 HA ARG 2 HA ARG 2 2.036 -3.642 -2.905 10 HB2 ARG 2 2HB ARG 2 3.041 -4.725 -0.266 11 HB3 ARG 2 3HB ARG 2 3.014 -5.611 -1.785 12 HG2 ARG 2 2HG ARG 2 4.890 -4.648 -2.511 13 HG3 ARG 2 3HG ARG 2 4.388 -3.046 -1.965 14 HD2 ARG 2 2HD ARG 2 5.093 -3.535 0.281 15 HD3 ARG 2 3HD ARG 2 5.434 -5.211 -0.147 16 HE ARG 2 HE ARG 2 6.948 -3.441 -1.758 17 HH11 ARG 2 1HH1 ARG 2 6.767 -4.756 1.461 18 HH12 ARG 2 2HH1 ARG 2 8.466 -4.595 1.763 19 HH21 ARG 2 1HH2 ARG 2 9.186 -3.224 -1.373 20 HH22 ARG 2 2HH2 ARG 2 9.840 -3.723 0.151 21 H LEU 3 H LEU 3 1.159 -6.066 -2.486 22 HA LEU 3 HA LEU 3 -1.491 -5.709 -1.252 23 HB2 LEU 3 2HB LEU 3 -0.560 -7.068 -3.717 24 HB3 LEU 3 3HB LEU 3 -1.892 -7.814 -2.837 25 HG LEU 3 HG LEU 3 -1.877 -4.993 -3.911 26 HD11 LEU 3 1HD1 LEU 3 -1.999 -7.143 -5.466 27 HD12 LEU 3 2HD1 LEU 3 -2.970 -5.704 -5.770 28 HD13 LEU 3 3HD1 LEU 3 -3.687 -7.095 -4.956 29 HD21 LEU 3 3HD2 LEU 3 -4.442 -6.173 -3.288 30 HD22 LEU 3 1HD2 LEU 3 -3.753 -4.633 -2.772 31 HD23 LEU 3 2HD2 LEU 3 -3.397 -6.105 -1.868 32 H PHE 4 H PHE 4 -2.496 -7.962 -0.715 33 HA PHE 4 HA PHE 4 -0.591 -9.902 0.274 34 HB2 PHE 4 2HB PHE 4 -2.337 -8.306 2.157 35 HB3 PHE 4 3HB PHE 4 -1.495 -9.785 2.606 36 HD1 PHE 4 HD2 PHE 4 0.957 -9.826 2.729 37 HD2 PHE 4 HD1 PHE 4 -1.185 -6.232 1.947 38 HE1 PHE 4 HE2 PHE 4 2.961 -8.514 3.289 39 HE2 PHE 4 HE1 PHE 4 0.817 -4.914 2.505 40 HZ PHE 4 HZ PHE 4 2.893 -6.055 3.178 41 H GLU 5 H GLU 5 -1.523 -11.560 -0.796 42 HA GLU 5 HA GLU 5 -4.409 -11.915 -0.724 43 HB2 GLU 5 2HB GLU 5 -2.162 -13.033 -2.299 44 HB3 GLU 5 3HB GLU 5 -3.528 -14.105 -2.026 45 HG2 GLU 5 2HG GLU 5 -4.916 -12.907 -3.347 46 HG3 GLU 5 3HG GLU 5 -4.155 -11.369 -2.942 47 H CYS 6 H CYS 6 -5.289 -12.876 0.977 48 HA CYS 6 HA CYS 6 -3.906 -15.198 2.144 49 HB2 CYS 6 2HB CYS 6 -5.630 -13.388 3.809 50 HB3 CYS 6 3HB CYS 6 -4.389 -14.521 4.331 51 HG CYS 6 HG CYS 6 -3.291 -11.976 2.429 52 H SER 7 H SER 7 -5.058 -16.927 1.593 53 HA SER 7 HA SER 7 -7.948 -16.889 2.086 54 HB2 SER 7 2HB SER 7 -7.164 -16.615 -0.434 55 HB3 SER 7 3HB SER 7 -6.967 -18.364 -0.321 56 HG SER 7 HG SER 7 -9.102 -17.491 -1.006 57 H ASN 8 H ASN 8 -8.881 -18.995 2.411 58 HA ASN 8 HA ASN 8 -6.976 -20.832 3.635 59 HB2 ASN 8 2HB ASN 8 -9.066 -21.948 4.503 60 HB3 ASN 8 3HB ASN 8 -8.841 -20.282 5.029 61 HD21 ASN 8 1HD2 ASN 8 -10.724 -19.314 5.146 62 HD22 ASN 8 2HD2 ASN 8 -12.006 -19.431 3.993 63 H LYS 9 H LYS 9 -6.666 -22.928 3.011 64 HA LYS 9 HA LYS 9 -7.241 -23.576 0.289 65 HB2 LYS 9 2HB LYS 9 -6.013 -25.199 2.524 66 HB3 LYS 9 3HB LYS 9 -6.131 -25.751 0.858 67 HG2 LYS 9 2HG LYS 9 -4.794 -23.154 1.476 68 HG3 LYS 9 3HG LYS 9 -3.932 -24.677 1.709 69 HD2 LYS 9 2HD LYS 9 -5.352 -24.286 -0.868 70 HD3 LYS 9 3HD LYS 9 -3.883 -23.346 -0.597 71 HE2 LYS 9 2HE LYS 9 -4.042 -26.333 -0.241 72 HE3 LYS 9 3HE LYS 9 -3.553 -25.557 -1.747 73 HZ1 LYS 9 3HZ LYS 9 -1.544 -25.907 -0.739 74 HZ2 LYS 9 1HZ LYS 9 -2.143 -25.674 0.826 75 HZ3 LYS 9 2HZ LYS 9 -1.882 -24.344 -0.186 76 H THR 10 H THR 10 -8.126 -25.178 3.353 77 HA THR 10 HA THR 10 -10.658 -25.991 2.108 78 HB THR 10 HB THR 10 -10.519 -28.226 2.952 79 HG1 THR 10 HG1 THR 10 -9.432 -28.039 4.862 80 HG21 THR 10 3HG2 THR 10 -8.750 -29.132 1.637 81 HG22 THR 10 1HG2 THR 10 -7.812 -27.644 1.759 82 HG23 THR 10 2HG2 THR 10 -9.302 -27.673 0.816 83 H GLY 11 H GLY 11 -8.872 -26.114 5.201 84 HA2 GLY 11 2HA GLY 11 -11.252 -24.958 6.498 85 HA3 GLY 11 3HA GLY 11 -10.491 -26.390 7.174 86 H ARG 12 H ARG 12 -8.083 -24.564 5.856 87 HA ARG 12 HA ARG 12 -7.629 -23.101 8.373 88 HB2 ARG 12 2HB ARG 12 -5.559 -24.526 6.691 89 HB3 ARG 12 3HB ARG 12 -5.223 -23.565 8.125 90 HG2 ARG 12 2HG ARG 12 -7.104 -25.873 8.305 91 HG3 ARG 12 3HG ARG 12 -5.362 -26.155 8.286 92 HD2 ARG 12 2HD ARG 12 -5.621 -24.117 10.103 93 HD3 ARG 12 3HD ARG 12 -7.072 -25.075 10.395 94 HE ARG 12 HE ARG 12 -4.866 -26.799 10.249 95 HH11 ARG 12 1HH1 ARG 12 -6.187 -24.319 12.305 96 HH12 ARG 12 2HH1 ARG 12 -5.491 -24.967 13.753 97 HH21 ARG 12 1HH2 ARG 12 -3.944 -27.661 12.149 98 HH22 ARG 12 2HH2 ARG 12 -4.215 -26.867 13.663 99 H PHE 13 H PHE 13 -6.981 -21.022 8.209 100 HA PHE 13 HA PHE 13 -7.055 -19.808 5.584 101 HB2 PHE 13 2HB PHE 13 -8.188 -18.460 7.078 102 HB3 PHE 13 3HB PHE 13 -7.078 -18.811 8.399 103 HD1 PHE 13 HD2 PHE 13 -4.969 -17.609 8.603 104 HD2 PHE 13 HD1 PHE 13 -7.753 -16.693 5.517 105 HE1 PHE 13 HE2 PHE 13 -3.803 -15.483 8.188 106 HE2 PHE 13 HE1 PHE 13 -6.591 -14.566 5.096 107 HZ PHE 13 HZ PHE 13 -4.614 -13.958 6.433 108 H LEU 14 H LEU 14 -5.387 -18.827 4.523 109 HA LEU 14 HA LEU 14 -2.713 -19.103 5.730 110 HB2 LEU 14 2HB LEU 14 -3.736 -19.822 3.041 111 HB3 LEU 14 3HB LEU 14 -2.107 -19.155 3.137 112 HG LEU 14 HG LEU 14 -2.053 -21.583 3.102 113 HD11 LEU 14 1HD1 LEU 14 -0.379 -20.293 4.413 114 HD12 LEU 14 2HD1 LEU 14 -0.632 -21.938 4.995 115 HD13 LEU 14 3HD1 LEU 14 -1.354 -20.579 5.855 116 HD21 LEU 14 3HD2 LEU 14 -3.391 -21.684 5.773 117 HD22 LEU 14 1HD2 LEU 14 -3.174 -22.961 4.575 118 HD23 LEU 14 2HD2 LEU 14 -4.360 -21.685 4.298 119 H ALA 15 H ALA 15 -1.466 -17.333 5.776 120 HA ALA 15 HA ALA 15 -2.467 -14.930 4.401 121 HB1 ALA 15 1HB ALA 15 -1.697 -13.618 6.140 122 HB2 ALA 15 2HB ALA 15 -2.243 -15.068 6.983 123 HB3 ALA 15 3HB ALA 15 -0.524 -14.824 6.670 124 H THR 16 H THR 16 -1.339 -14.264 2.708 125 HA THR 16 HA THR 16 1.574 -14.647 2.692 126 HB THR 16 HB THR 16 0.108 -14.923 0.107 127 HG1 THR 16 HG1 THR 16 -0.952 -16.419 1.453 128 HG21 THR 16 3HG2 THR 16 2.121 -16.772 0.196 129 HG22 THR 16 1HG2 THR 16 2.764 -15.482 1.212 130 HG23 THR 16 2HG2 THR 16 2.276 -15.138 -0.448 131 H GLU 17 H GLU 17 2.731 -13.176 1.309 132 HA GLU 17 HA GLU 17 1.280 -10.647 0.940 133 HB2 GLU 17 2HB GLU 17 3.083 -10.313 2.432 134 HB3 GLU 17 3HB GLU 17 4.180 -11.273 1.449 135 HG2 GLU 17 2HG GLU 17 4.284 -9.572 -0.222 136 HG3 GLU 17 3HG GLU 17 3.009 -8.647 0.569 137 H ILE 18 H ILE 18 1.447 -9.483 -0.970 138 HA ILE 18 HA ILE 18 2.800 -10.807 -3.218 139 HB ILE 18 HB ILE 18 0.003 -9.674 -3.342 140 HG12 ILE 18 2HG1 ILE 18 0.147 -11.844 -2.147 141 HG13 ILE 18 3HG1 ILE 18 -0.741 -11.965 -3.662 142 HG21 ILE 18 1HG2 ILE 18 1.966 -10.152 -5.358 143 HG22 ILE 18 2HG2 ILE 18 0.618 -11.265 -5.586 144 HG23 ILE 18 3HG2 ILE 18 0.326 -9.527 -5.532 145 HD11 ILE 18 3HD1 ILE 18 2.163 -12.684 -3.409 146 HD12 ILE 18 1HD1 ILE 18 0.853 -13.838 -3.162 147 HD13 ILE 18 2HD1 ILE 18 1.058 -13.058 -4.731 148 H VAL 19 H VAL 19 4.245 -9.427 -3.990 149 HA VAL 19 HA VAL 19 4.543 -6.769 -3.420 150 HB VAL 19 HB VAL 19 5.257 -8.016 -6.077 151 HG11 VAL 19 1HG1 VAL 19 7.111 -6.358 -6.005 152 HG12 VAL 19 2HG1 VAL 19 5.508 -5.630 -6.127 153 HG13 VAL 19 3HG1 VAL 19 6.357 -5.642 -4.581 154 HG21 VAL 19 3HG2 VAL 19 7.509 -8.325 -4.876 155 HG22 VAL 19 1HG2 VAL 19 6.576 -8.155 -3.388 156 HG23 VAL 19 2HG2 VAL 19 6.211 -9.463 -4.514 157 H ASP 20 H ASP 20 4.061 -4.818 -4.481 158 HA ASP 20 HA ASP 20 1.495 -4.343 -5.240 159 HB2 ASP 20 2HB ASP 20 3.173 -2.583 -4.770 160 HB3 ASP 20 3HB ASP 20 3.912 -2.892 -6.339 161 H PHE 21 H PHE 21 0.548 -5.775 -6.630 162 HA PHE 21 HA PHE 21 1.664 -5.938 -9.349 163 HB2 PHE 21 2HB PHE 21 0.189 -7.870 -7.634 164 HB3 PHE 21 3HB PHE 21 -0.130 -7.923 -9.365 165 HD1 PHE 21 HD1 PHE 21 3.122 -7.003 -7.920 166 HD2 PHE 21 HD2 PHE 21 0.813 -10.073 -9.752 167 HE1 PHE 21 HE1 PHE 21 5.163 -8.335 -8.251 168 HE2 PHE 21 HE2 PHE 21 2.851 -11.411 -10.085 169 HZ PHE 21 HZ PHE 21 5.029 -10.543 -9.334 170 H THR 22 H THR 22 -0.194 -6.447 -10.996 171 HA THR 22 HA THR 22 -2.104 -4.248 -10.736 172 HB THR 22 HB THR 22 -2.371 -4.306 -13.089 173 HG1 THR 22 HG1 THR 22 -1.577 -6.035 -14.348 174 HG21 THR 22 3HG2 THR 22 -0.258 -3.326 -12.426 175 HG22 THR 22 1HG2 THR 22 -0.047 -4.201 -13.942 176 HG23 THR 22 2HG2 THR 22 0.514 -4.911 -12.428 177 H GLN 23 H GLN 23 -4.157 -4.917 -12.300 178 HA GLN 23 HA GLN 23 -5.669 -6.687 -10.672 179 HB2 GLN 23 2HB GLN 23 -6.382 -5.606 -13.402 180 HB3 GLN 23 3HB GLN 23 -7.496 -6.254 -12.206 181 HG2 GLN 23 2HG GLN 23 -6.927 -4.409 -10.694 182 HG3 GLN 23 3HG GLN 23 -5.849 -3.751 -11.924 183 HE21 GLN 23 1HE2 GLN 23 -6.705 -2.740 -13.715 184 HE22 GLN 23 2HE2 GLN 23 -8.369 -2.291 -13.828 185 H ASP 24 H ASP 24 -3.676 -7.140 -13.417 186 HA ASP 24 HA ASP 24 -4.828 -9.327 -14.679 187 HB2 ASP 24 2HB ASP 24 -1.941 -8.554 -14.274 188 HB3 ASP 24 3HB ASP 24 -2.414 -9.948 -15.242 189 H ASP 25 H ASP 25 -2.603 -9.272 -11.912 190 HA ASP 25 HA ASP 25 -2.815 -12.144 -11.580 191 HB2 ASP 25 2HB ASP 25 -1.184 -9.966 -10.379 192 HB3 ASP 25 3HB ASP 25 -1.469 -11.396 -9.390 193 H LEU 26 H LEU 26 -4.518 -9.403 -10.575 194 HA LEU 26 HA LEU 26 -5.328 -10.165 -7.986 195 HB2 LEU 26 2HB LEU 26 -5.583 -7.910 -9.166 196 HB3 LEU 26 3HB LEU 26 -7.026 -8.600 -9.905 197 HG LEU 26 HG LEU 26 -6.732 -8.576 -6.927 198 HD11 LEU 26 1HD1 LEU 26 -7.828 -6.288 -8.552 199 HD12 LEU 26 2HD1 LEU 26 -6.258 -6.283 -7.750 200 HD13 LEU 26 3HD1 LEU 26 -7.735 -6.402 -6.794 201 HD21 LEU 26 3HD2 LEU 26 -8.783 -9.411 -7.038 202 HD22 LEU 26 1HD2 LEU 26 -8.703 -9.373 -8.799 203 HD23 LEU 26 2HD2 LEU 26 -9.330 -7.981 -7.915 204 H ASP 27 H ASP 27 -6.113 -12.173 -7.688 205 HA ASP 27 HA ASP 27 -7.555 -13.743 -9.430 206 HB2 ASP 27 2HB ASP 27 -7.328 -13.634 -6.456 207 HB3 ASP 27 3HB ASP 27 -8.571 -14.665 -7.159 208 H GLU 28 H GLU 28 -9.880 -14.460 -9.128 209 HA GLU 28 HA GLU 28 -11.590 -12.283 -9.674 210 HB2 GLU 28 2HB GLU 28 -12.256 -15.151 -8.986 211 HB3 GLU 28 3HB GLU 28 -13.405 -13.978 -9.615 212 HG2 GLU 28 2HG GLU 28 -11.400 -13.836 -11.455 213 HG3 GLU 28 3HG GLU 28 -11.361 -15.538 -10.998 214 H ASN 29 H ASN 29 -11.765 -14.601 -6.963 215 HA ASN 29 HA ASN 29 -12.802 -12.410 -5.289 216 HB2 ASN 29 2HB ASN 29 -13.699 -15.301 -5.285 217 HB3 ASN 29 3HB ASN 29 -14.231 -14.076 -4.138 218 HD21 ASN 29 1HD2 ASN 29 -14.345 -15.138 -7.456 219 HD22 ASN 29 2HD2 ASN 29 -15.729 -14.210 -7.912 220 H ASP 30 H ASP 30 -11.031 -11.946 -4.099 221 HA ASP 30 HA ASP 30 -10.112 -13.990 -2.243 222 HB2 ASP 30 2HB ASP 30 -8.421 -12.761 -4.368 223 HB3 ASP 30 3HB ASP 30 -7.692 -13.021 -2.785 224 H VAL 31 H VAL 31 -8.612 -13.012 -0.576 225 HA VAL 31 HA VAL 31 -9.639 -10.358 0.136 226 HB VAL 31 HB VAL 31 -8.221 -12.366 1.891 227 HG11 VAL 31 1HG1 VAL 31 -9.666 -9.799 2.535 228 HG12 VAL 31 2HG1 VAL 31 -9.095 -10.963 3.733 229 HG13 VAL 31 3HG1 VAL 31 -7.939 -10.114 2.706 230 HG21 VAL 31 3HG2 VAL 31 -10.914 -11.993 2.663 231 HG22 VAL 31 1HG2 VAL 31 -10.904 -12.319 0.930 232 HG23 VAL 31 2HG2 VAL 31 -10.149 -13.457 2.046 233 H TYR 32 H TYR 32 -8.352 -8.775 -0.570 234 HA TYR 32 HA TYR 32 -5.440 -9.131 -0.384 235 HB2 TYR 32 2HB TYR 32 -6.848 -6.933 -1.888 236 HB3 TYR 32 3HB TYR 32 -5.197 -7.508 -2.090 237 HD1 TYR 32 HD1 TYR 32 -8.743 -8.275 -2.739 238 HD2 TYR 32 HD2 TYR 32 -4.705 -9.398 -3.473 239 HE1 TYR 32 HE1 TYR 32 -9.494 -9.777 -4.535 240 HE2 TYR 32 HE2 TYR 32 -5.446 -10.903 -5.272 241 HH TYR 32 HH TYR 32 -7.560 -10.982 -6.854 242 H LEU 33 H LEU 33 -4.231 -7.034 0.065 243 HA LEU 33 HA LEU 33 -5.641 -5.274 1.924 244 HB2 LEU 33 2HB LEU 33 -3.007 -6.512 2.672 245 HB3 LEU 33 3HB LEU 33 -4.089 -5.559 3.685 246 HG LEU 33 HG LEU 33 -4.888 -8.251 2.615 247 HD11 LEU 33 1HD1 LEU 33 -2.690 -7.983 4.158 248 HD12 LEU 33 2HD1 LEU 33 -3.771 -9.375 4.209 249 HD13 LEU 33 3HD1 LEU 33 -3.944 -8.082 5.395 250 HD21 LEU 33 3HD2 LEU 33 -5.778 -7.166 5.221 251 HD22 LEU 33 1HD2 LEU 33 -6.663 -8.103 4.017 252 HD23 LEU 33 2HD2 LEU 33 -6.398 -6.377 3.770 253 H LEU 34 H LEU 34 -5.310 -3.320 1.098 254 HA LEU 34 HA LEU 34 -2.628 -2.669 0.066 255 HB2 LEU 34 2HB LEU 34 -4.263 -2.600 -1.694 256 HB3 LEU 34 3HB LEU 34 -5.329 -1.590 -0.721 257 HG LEU 34 HG LEU 34 -3.233 0.044 -0.818 258 HD11 LEU 34 1HD1 LEU 34 -2.804 -1.921 -2.984 259 HD12 LEU 34 2HD1 LEU 34 -1.642 -0.943 -2.088 260 HD13 LEU 34 3HD1 LEU 34 -2.583 -0.220 -3.393 261 HD21 LEU 34 3HD2 LEU 34 -5.737 -0.108 -2.008 262 HD22 LEU 34 1HD2 LEU 34 -4.633 0.231 -3.342 263 HD23 LEU 34 2HD2 LEU 34 -4.681 1.304 -1.943 264 H ASP 35 H ASP 35 -1.578 -1.623 1.638 265 HA ASP 35 HA ASP 35 -3.010 0.260 3.347 266 HB2 ASP 35 2HB ASP 35 -0.078 -0.324 3.587 267 HB3 ASP 35 3HB ASP 35 -1.233 0.105 4.846 268 H THR 36 H THR 36 -3.196 2.280 2.657 269 HA THR 36 HA THR 36 -1.060 3.421 0.990 270 HB THR 36 HB THR 36 -2.593 4.768 -0.057 271 HG1 THR 36 HG1 THR 36 -4.003 5.886 1.059 272 HG21 THR 36 3HG2 THR 36 -3.248 2.434 -0.455 273 HG22 THR 36 1HG2 THR 36 -4.639 3.515 -0.508 274 HG23 THR 36 2HG2 THR 36 -4.354 2.514 0.916 275 H TRP 37 H TRP 37 -0.975 5.935 1.272 276 HA TRP 37 HA TRP 37 0.024 6.428 3.875 277 HB2 TRP 37 2HB TRP 37 0.941 7.564 1.918 278 HB3 TRP 37 3HB TRP 37 -0.605 8.358 1.631 279 HD1 TRP 37 HD1 TRP 37 -1.412 9.956 3.886 280 HE1 TRP 37 HE1 TRP 37 0.065 11.624 5.173 281 HE3 TRP 37 HE3 TRP 37 3.187 8.154 2.567 282 HZ2 TRP 37 HZ2 TRP 37 2.816 12.113 5.576 283 HZ3 TRP 37 HZ3 TRP 37 5.190 9.279 3.446 284 HH2 TRP 37 HH2 TRP 37 5.007 11.218 4.919 285 H ASP 38 H ASP 38 -3.002 7.208 2.262 286 HA ASP 38 HA ASP 38 -3.954 8.866 4.414 287 HB2 ASP 38 2HB ASP 38 -5.168 7.795 1.882 288 HB3 ASP 38 3HB ASP 38 -6.172 8.575 3.101 289 H GLN 39 H GLN 39 -4.652 5.599 3.214 290 HA GLN 39 HA GLN 39 -5.116 4.527 5.766 291 HB2 GLN 39 2HB GLN 39 -7.191 6.052 5.308 292 HB3 GLN 39 3HB GLN 39 -7.702 4.730 4.267 293 HG2 GLN 39 2HG GLN 39 -8.649 4.640 6.551 294 HG3 GLN 39 3HG GLN 39 -7.732 3.204 6.100 295 HE21 GLN 39 1HE2 GLN 39 -7.532 2.740 8.338 296 HE22 GLN 39 2HE2 GLN 39 -6.363 3.561 9.309 297 H ILE 40 H ILE 40 -6.012 2.293 5.657 298 HA ILE 40 HA ILE 40 -4.997 0.983 3.275 299 HB ILE 40 HB ILE 40 -6.175 -0.347 5.710 300 HG12 ILE 40 2HG1 ILE 40 -3.519 -0.593 6.088 301 HG13 ILE 40 3HG1 ILE 40 -3.552 0.980 5.298 302 HG21 ILE 40 1HG2 ILE 40 -4.928 -2.268 5.016 303 HG22 ILE 40 2HG2 ILE 40 -5.861 -1.691 3.636 304 HG23 ILE 40 3HG2 ILE 40 -4.134 -1.351 3.735 305 HD11 ILE 40 3HD1 ILE 40 -5.561 1.110 7.209 306 HD12 ILE 40 1HD1 ILE 40 -4.233 0.262 8.000 307 HD13 ILE 40 2HD1 ILE 40 -3.963 1.853 7.288 308 H PHE 41 H PHE 41 -6.195 0.111 1.704 309 HA PHE 41 HA PHE 41 -9.100 0.310 1.920 310 HB2 PHE 41 2HB PHE 41 -7.147 0.205 -0.321 311 HB3 PHE 41 3HB PHE 41 -8.747 -0.469 -0.617 312 HD1 PHE 41 HD1 PHE 41 -7.336 2.560 1.053 313 HD2 PHE 41 HD2 PHE 41 -10.210 0.953 -1.644 314 HE1 PHE 41 HE1 PHE 41 -8.206 4.824 0.637 315 HE2 PHE 41 HE2 PHE 41 -11.083 3.214 -2.066 316 HZ PHE 41 HZ PHE 41 -10.081 5.153 -0.925 317 H PHE 42 H PHE 42 -10.181 -1.404 2.609 318 HA PHE 42 HA PHE 42 -9.033 -4.067 2.335 319 HB2 PHE 42 2HB PHE 42 -11.214 -2.856 3.976 320 HB3 PHE 42 3HB PHE 42 -11.273 -4.585 3.652 321 HD1 PHE 42 HD1 PHE 42 -8.065 -2.879 3.929 322 HD2 PHE 42 HD2 PHE 42 -11.033 -5.109 6.011 323 HE1 PHE 42 HE1 PHE 42 -6.476 -3.274 5.765 324 HE2 PHE 42 HE2 PHE 42 -9.449 -5.506 7.851 325 HZ PHE 42 HZ PHE 42 -7.167 -4.588 7.730 326 H TRP 43 H TRP 43 -9.368 -4.992 0.414 327 HA TRP 43 HA TRP 43 -11.939 -4.619 -0.936 328 HB2 TRP 43 2HB TRP 43 -9.192 -5.320 -1.806 329 HB3 TRP 43 3HB TRP 43 -10.512 -6.073 -2.697 330 HD1 TRP 43 HD1 TRP 43 -10.354 -2.439 -1.358 331 HE1 TRP 43 HE1 TRP 43 -10.678 -0.845 -3.353 332 HE3 TRP 43 HE3 TRP 43 -10.516 -5.884 -5.132 333 HZ2 TRP 43 HZ2 TRP 43 -10.964 -1.024 -6.155 334 HZ3 TRP 43 HZ3 TRP 43 -10.818 -5.090 -7.441 335 HH2 TRP 43 HH2 TRP 43 -11.037 -2.710 -7.940 336 H ILE 44 H ILE 44 -13.450 -6.031 -0.334 337 HA ILE 44 HA ILE 44 -12.667 -8.855 -0.018 338 HB ILE 44 HB ILE 44 -14.914 -7.360 1.334 339 HG12 ILE 44 2HG1 ILE 44 -13.211 -8.735 3.145 340 HG13 ILE 44 3HG1 ILE 44 -12.180 -7.839 2.034 341 HG21 ILE 44 1HG2 ILE 44 -14.304 -10.273 1.108 342 HG22 ILE 44 2HG2 ILE 44 -15.044 -9.648 2.580 343 HG23 ILE 44 3HG2 ILE 44 -15.857 -9.440 1.029 344 HD11 ILE 44 3HD1 ILE 44 -12.662 -5.916 3.019 345 HD12 ILE 44 1HD1 ILE 44 -14.396 -6.233 2.952 346 HD13 ILE 44 2HD1 ILE 44 -13.435 -6.860 4.292 347 H GLY 45 H GLY 45 -13.219 -9.937 -1.799 348 HA2 GLY 45 2HA GLY 45 -15.309 -9.101 -3.554 349 HA3 GLY 45 3HA GLY 45 -14.399 -10.600 -3.662 350 H LYS 46 H LYS 46 -16.505 -11.487 -4.300 351 HA LYS 46 HA LYS 46 -18.433 -11.794 -2.128 352 HB2 LYS 46 2HB LYS 46 -18.487 -12.173 -5.077 353 HB3 LYS 46 3HB LYS 46 -19.558 -13.183 -4.116 354 HG2 LYS 46 2HG LYS 46 -19.696 -10.421 -3.286 355 HG3 LYS 46 3HG LYS 46 -20.043 -10.601 -5.008 356 HD2 LYS 46 2HD LYS 46 -21.322 -12.515 -3.129 357 HD3 LYS 46 3HD LYS 46 -21.926 -10.856 -3.151 358 HE2 LYS 46 2HE LYS 46 -23.253 -11.953 -4.723 359 HE3 LYS 46 3HE LYS 46 -22.030 -11.141 -5.700 360 HZ1 LYS 46 3HZ LYS 46 -20.943 -13.123 -6.132 361 HZ2 LYS 46 1HZ LYS 46 -22.571 -13.580 -6.195 362 HZ3 LYS 46 2HZ LYS 46 -21.647 -13.931 -4.823 363 H GLY 47 H GLY 47 -16.066 -13.611 -3.942 364 HA2 GLY 47 2HA GLY 47 -16.937 -16.178 -2.960 365 HA3 GLY 47 3HA GLY 47 -15.472 -15.850 -3.874 366 H ALA 48 H ALA 48 -14.579 -13.769 -2.010 367 HA ALA 48 HA ALA 48 -12.881 -15.203 -0.397 368 HB1 ALA 48 1HB ALA 48 -12.750 -13.083 0.993 369 HB2 ALA 48 2HB ALA 48 -12.409 -12.922 -0.730 370 HB3 ALA 48 3HB ALA 48 -13.974 -12.421 -0.090 371 H ASN 49 H ASN 49 -13.067 -16.336 1.426 372 HA ASN 49 HA ASN 49 -15.574 -16.859 2.603 373 HB2 ASN 49 2HB ASN 49 -12.752 -17.599 3.172 374 HB3 ASN 49 3HB ASN 49 -13.903 -17.772 4.493 375 HD21 ASN 49 1HD2 ASN 49 -12.851 -18.960 1.442 376 HD22 ASN 49 2HD2 ASN 49 -13.889 -20.340 1.377 377 H GLU 50 H GLU 50 -16.047 -16.588 4.956 378 HA GLU 50 HA GLU 50 -15.903 -13.821 5.643 379 HB2 GLU 50 2HB GLU 50 -17.005 -16.242 7.059 380 HB3 GLU 50 3HB GLU 50 -17.040 -14.638 7.778 381 HG2 GLU 50 2HG GLU 50 -18.197 -13.960 5.551 382 HG3 GLU 50 3HG GLU 50 -18.527 -15.686 5.415 383 H SER 51 H SER 51 -14.203 -16.713 6.625 384 HA SER 51 HA SER 51 -12.968 -15.555 8.929 385 HB2 SER 51 2HB SER 51 -12.563 -18.082 7.358 386 HB3 SER 51 3HB SER 51 -11.385 -17.602 8.580 387 HG SER 51 HG SER 51 -13.324 -17.406 9.994 388 H GLU 52 H GLU 52 -11.940 -16.169 5.592 389 HA GLU 52 HA GLU 52 -9.290 -15.411 5.756 390 HB2 GLU 52 2HB GLU 52 -11.194 -14.861 3.472 391 HB3 GLU 52 3HB GLU 52 -9.439 -14.866 3.367 392 HG2 GLU 52 2HG GLU 52 -9.358 -17.214 3.831 393 HG3 GLU 52 3HG GLU 52 -11.090 -17.254 4.152 394 H LYS 53 H LYS 53 -12.104 -13.336 5.103 395 HA LYS 53 HA LYS 53 -10.691 -10.921 4.878 396 HB2 LYS 53 2HB LYS 53 -12.867 -10.810 4.075 397 HB3 LYS 53 3HB LYS 53 -13.535 -11.640 5.474 398 HG2 LYS 53 2HG LYS 53 -12.291 -8.993 5.934 399 HG3 LYS 53 3HG LYS 53 -13.835 -9.034 5.080 400 HD2 LYS 53 2HD LYS 53 -13.963 -10.798 7.323 401 HD3 LYS 53 3HD LYS 53 -13.365 -9.227 7.862 402 HE2 LYS 53 2HE LYS 53 -15.303 -8.146 7.304 403 HE3 LYS 53 3HE LYS 53 -15.698 -9.286 6.019 404 HZ1 LYS 53 3HZ LYS 53 -15.854 -9.918 8.915 405 HZ2 LYS 53 1HZ LYS 53 -16.376 -10.892 7.633 406 HZ3 LYS 53 2HZ LYS 53 -17.175 -9.441 7.973 407 H GLU 54 H GLU 54 -11.778 -12.733 7.648 408 HA GLU 54 HA GLU 54 -11.441 -10.590 9.526 409 HB2 GLU 54 2HB GLU 54 -11.665 -13.571 9.980 410 HB3 GLU 54 3HB GLU 54 -11.748 -12.342 11.234 411 HG2 GLU 54 2HG GLU 54 -13.638 -11.836 9.103 412 HG3 GLU 54 3HG GLU 54 -13.868 -13.424 9.832 413 H ALA 55 H ALA 55 -9.654 -13.622 8.943 414 HA ALA 55 HA ALA 55 -7.512 -13.034 10.663 415 HB1 ALA 55 1HB ALA 55 -6.527 -14.962 9.888 416 HB2 ALA 55 2HB ALA 55 -8.220 -15.260 9.491 417 HB3 ALA 55 3HB ALA 55 -7.102 -14.722 8.238 418 H ALA 56 H ALA 56 -7.805 -12.665 7.134 419 HA ALA 56 HA ALA 56 -5.256 -11.605 6.676 420 HB1 ALA 56 1HB ALA 56 -5.966 -11.140 4.527 421 HB2 ALA 56 2HB ALA 56 -7.074 -12.424 5.012 422 HB3 ALA 56 3HB ALA 56 -7.606 -10.743 5.043 423 H ALA 57 H ALA 57 -8.129 -10.160 7.966 424 HA ALA 57 HA ALA 57 -7.399 -7.442 7.481 425 HB1 ALA 57 1HB ALA 57 -9.139 -7.193 9.484 426 HB2 ALA 57 2HB ALA 57 -9.639 -7.534 7.827 427 HB3 ALA 57 3HB ALA 57 -9.518 -8.846 8.998 428 H GLU 58 H GLU 58 -7.171 -9.605 10.287 429 HA GLU 58 HA GLU 58 -5.977 -7.647 11.982 430 HB2 GLU 58 2HB GLU 58 -6.285 -10.635 12.152 431 HB3 GLU 58 3HB GLU 58 -5.374 -9.736 13.357 432 HG2 GLU 58 2HG GLU 58 -7.878 -8.446 12.977 433 HG3 GLU 58 3HG GLU 58 -8.161 -10.169 13.215 434 H THR 59 H THR 59 -4.748 -10.218 9.910 435 HA THR 59 HA THR 59 -2.080 -10.220 10.725 436 HB THR 59 HB THR 59 -3.200 -10.734 7.963 437 HG1 THR 59 HG1 THR 59 -2.338 -12.710 9.783 438 HG21 THR 59 3HG2 THR 59 -0.464 -10.804 9.043 439 HG22 THR 59 1HG2 THR 59 -1.022 -10.664 7.377 440 HG23 THR 59 2HG2 THR 59 -0.952 -12.246 8.153 441 H ALA 60 H ALA 60 -3.816 -8.057 8.582 442 HA ALA 60 HA ALA 60 -1.542 -6.776 7.466 443 HB1 ALA 60 1HB ALA 60 -3.404 -4.892 7.182 444 HB2 ALA 60 2HB ALA 60 -3.352 -6.336 6.170 445 HB3 ALA 60 3HB ALA 60 -4.457 -6.260 7.542 446 H GLN 61 H GLN 61 -3.595 -6.086 10.263 447 HA GLN 61 HA GLN 61 -2.684 -3.580 10.961 448 HB2 GLN 61 2HB GLN 61 -3.759 -5.894 12.501 449 HB3 GLN 61 3HB GLN 61 -3.046 -4.563 13.402 450 HG2 GLN 61 2HG GLN 61 -4.687 -3.276 11.622 451 HG3 GLN 61 3HG GLN 61 -5.598 -4.733 12.016 452 HE21 GLN 61 1HE2 GLN 61 -4.011 -1.909 13.369 453 HE22 GLN 61 2HE2 GLN 61 -4.933 -1.858 14.829 454 H GLU 62 H GLU 62 -1.119 -6.681 11.362 455 HA GLU 62 HA GLU 62 0.842 -6.001 13.226 456 HB2 GLU 62 2HB GLU 62 0.807 -7.991 10.967 457 HB3 GLU 62 3HB GLU 62 2.196 -7.823 12.032 458 HG2 GLU 62 2HG GLU 62 0.513 -8.173 13.940 459 HG3 GLU 62 3HG GLU 62 -0.564 -8.773 12.681 460 H TYR 63 H TYR 63 0.757 -5.572 9.726 461 HA TYR 63 HA TYR 63 3.442 -4.626 9.520 462 HB2 TYR 63 2HB TYR 63 2.453 -5.581 7.564 463 HB3 TYR 63 3HB TYR 63 1.076 -4.488 7.649 464 HD1 TYR 63 HD1 TYR 63 1.322 -2.128 6.999 465 HD2 TYR 63 HD2 TYR 63 4.538 -4.884 6.593 466 HE1 TYR 63 HE1 TYR 63 2.473 -0.555 5.500 467 HE2 TYR 63 HE2 TYR 63 5.699 -3.317 5.094 468 HH TYR 63 HH TYR 63 4.917 -1.370 3.505 469 H LEU 64 H LEU 64 0.277 -3.089 9.803 470 HA LEU 64 HA LEU 64 0.959 -0.453 9.310 471 HB2 LEU 64 2HB LEU 64 -1.096 -1.763 11.030 472 HB3 LEU 64 3HB LEU 64 -0.886 -0.016 11.116 473 HG LEU 64 HG LEU 64 -2.723 -0.875 9.596 474 HD11 LEU 64 1HD1 LEU 64 -1.599 0.650 7.642 475 HD12 LEU 64 2HD1 LEU 64 -0.672 1.143 9.058 476 HD13 LEU 64 3HD1 LEU 64 -2.430 1.280 9.064 477 HD21 LEU 64 3HD2 LEU 64 -0.324 -1.687 7.960 478 HD22 LEU 64 1HD2 LEU 64 -1.965 -1.550 7.329 479 HD23 LEU 64 2HD2 LEU 64 -1.599 -2.738 8.581 480 H ARG 65 H ARG 65 1.289 -2.324 12.287 481 HA ARG 65 HA ARG 65 2.131 -0.156 13.912 482 HB2 ARG 65 2HB ARG 65 2.374 -3.147 14.170 483 HB3 ARG 65 3HB ARG 65 3.055 -2.054 15.368 484 HG2 ARG 65 2HG ARG 65 0.317 -1.369 14.795 485 HG3 ARG 65 3HG ARG 65 0.464 -3.059 15.281 486 HD2 ARG 65 2HD ARG 65 2.029 -1.161 16.887 487 HD3 ARG 65 3HD ARG 65 0.281 -0.966 17.001 488 HE ARG 65 HE ARG 65 0.839 -3.674 17.299 489 HH11 ARG 65 1HH1 ARG 65 1.462 -0.683 18.967 490 HH12 ARG 65 2HH1 ARG 65 1.527 -1.419 20.534 491 HH21 ARG 65 1HH2 ARG 65 0.922 -4.655 19.357 492 HH22 ARG 65 2HH2 ARG 65 1.221 -3.678 20.755 493 H SER 66 H SER 66 3.745 -2.213 11.642 494 HA SER 66 HA SER 66 6.391 -1.950 12.555 495 HB2 SER 66 2HB SER 66 7.014 -2.984 10.590 496 HB3 SER 66 3HB SER 66 5.309 -3.433 10.641 497 HG SER 66 HG SER 66 6.602 -2.006 8.791 498 H HIS 67 H HIS 67 4.299 0.220 10.852 499 HA HIS 67 HA HIS 67 6.534 2.031 10.273 500 HB2 HIS 67 2HB HIS 67 3.792 1.686 9.158 501 HB3 HIS 67 3HB HIS 67 4.489 3.303 9.136 502 HD1 HIS 67 HD1 HIS 67 4.447 3.050 6.493 503 HD2 HIS 67 HD2 HIS 67 7.045 0.502 8.497 504 HE1 HIS 67 HE1 HIS 67 6.011 2.165 4.734 505 HA PRO 68 HA PRO 68 5.519 4.877 13.452 506 HB2 PRO 68 2HB PRO 68 5.892 7.275 12.234 507 HB3 PRO 68 3HB PRO 68 7.227 6.206 12.679 508 HG2 PRO 68 2HG PRO 68 5.907 6.582 10.019 509 HG3 PRO 68 3HG PRO 68 7.632 6.434 10.401 510 HD2 PRO 68 2HD PRO 68 6.171 4.368 9.438 511 HD3 PRO 68 3HD PRO 68 7.530 4.137 10.557 512 H GLY 69 H GLY 69 4.393 7.375 13.361 513 HA2 GLY 69 2HA GLY 69 2.415 8.484 12.422 514 HA3 GLY 69 3HA GLY 69 1.712 6.886 12.219 515 H SER 70 H SER 70 0.347 8.897 13.528 516 HA SER 70 HA SER 70 0.588 8.220 16.377 517 HB2 SER 70 2HB SER 70 -0.540 10.575 14.902 518 HB3 SER 70 3HB SER 70 -1.116 10.207 16.528 519 HG SER 70 HG SER 70 1.023 10.369 17.261 520 H ARG 71 H ARG 71 -2.189 9.205 14.388 521 HA ARG 71 HA ARG 71 -3.719 7.000 15.587 522 HB2 ARG 71 2HB ARG 71 -4.446 9.728 14.614 523 HB3 ARG 71 3HB ARG 71 -5.662 8.460 14.541 524 HG2 ARG 71 2HG ARG 71 -5.492 8.104 16.922 525 HG3 ARG 71 3HG ARG 71 -4.179 9.279 17.030 526 HD2 ARG 71 2HD ARG 71 -5.790 10.983 16.100 527 HD3 ARG 71 3HD ARG 71 -7.063 9.786 16.332 528 HE ARG 71 HE ARG 71 -5.800 9.976 18.760 529 HH11 ARG 71 1HH1 ARG 71 -7.433 12.174 16.610 530 HH12 ARG 71 2HH1 ARG 71 -7.982 13.215 17.881 531 HH21 ARG 71 1HH2 ARG 71 -6.517 11.339 20.442 532 HH22 ARG 71 2HH2 ARG 71 -7.460 12.740 20.060 533 H ASP 72 H ASP 72 -1.892 6.948 13.186 534 HA ASP 72 HA ASP 72 -3.353 6.742 10.814 535 HB2 ASP 72 2HB ASP 72 -0.783 5.493 11.753 536 HB3 ASP 72 3HB ASP 72 -1.452 5.108 10.170 537 H LEU 73 H LEU 73 -3.226 4.665 13.547 538 HA LEU 73 HA LEU 73 -4.358 2.411 12.071 539 HB2 LEU 73 2HB LEU 73 -3.428 2.719 14.918 540 HB3 LEU 73 3HB LEU 73 -4.207 1.263 14.302 541 HG LEU 73 HG LEU 73 -1.924 2.056 12.688 542 HD11 LEU 73 1HD1 LEU 73 -0.514 2.646 14.305 543 HD12 LEU 73 2HD1 LEU 73 -0.584 0.969 14.845 544 HD13 LEU 73 3HD1 LEU 73 -1.646 2.174 15.573 545 HD21 LEU 73 3HD2 LEU 73 -2.987 -0.111 12.518 546 HD22 LEU 73 1HD2 LEU 73 -2.658 -0.437 14.220 547 HD23 LEU 73 2HD2 LEU 73 -1.323 -0.304 13.074 548 H ASP 74 H ASP 74 -5.236 4.899 14.345 549 HA ASP 74 HA ASP 74 -7.694 3.784 15.208 550 HB2 ASP 74 2HB ASP 74 -6.452 6.500 15.279 551 HB3 ASP 74 3HB ASP 74 -8.174 6.352 15.617 552 H THR 75 H THR 75 -6.727 5.521 12.368 553 HA THR 75 HA THR 75 -9.206 6.515 11.519 554 HB THR 75 HB THR 75 -6.902 5.560 9.807 555 HG1 THR 75 HG1 THR 75 -7.442 8.258 10.399 556 HG21 THR 75 3HG2 THR 75 -9.052 5.826 8.591 557 HG22 THR 75 1HG2 THR 75 -7.815 6.969 8.070 558 HG23 THR 75 2HG2 THR 75 -9.115 7.502 9.136 559 HA PRO 76 HA PRO 76 -11.394 2.797 10.544 560 HB2 PRO 76 2HB PRO 76 -13.395 3.934 9.104 561 HB3 PRO 76 3HB PRO 76 -13.306 4.031 10.867 562 HG2 PRO 76 2HG PRO 76 -12.500 6.057 8.816 563 HG3 PRO 76 3HG PRO 76 -13.375 6.295 10.340 564 HD2 PRO 76 2HD PRO 76 -10.730 6.815 10.081 565 HD3 PRO 76 3HD PRO 76 -11.446 6.240 11.601 566 H ILE 77 H ILE 77 -11.678 1.391 8.824 567 HA ILE 77 HA ILE 77 -10.224 2.103 6.391 568 HB ILE 77 HB ILE 77 -11.092 -0.530 7.559 569 HG12 ILE 77 2HG1 ILE 77 -8.361 -0.296 6.625 570 HG13 ILE 77 3HG1 ILE 77 -8.756 1.011 7.736 571 HG21 ILE 77 1HG2 ILE 77 -10.257 0.104 4.759 572 HG22 ILE 77 2HG2 ILE 77 -9.853 -1.455 5.476 573 HG23 ILE 77 3HG2 ILE 77 -11.540 -0.962 5.330 574 HD11 ILE 77 3HD1 ILE 77 -9.751 -1.435 8.800 575 HD12 ILE 77 1HD1 ILE 77 -8.061 -1.645 8.342 576 HD13 ILE 77 2HD1 ILE 77 -8.520 -0.354 9.454 577 H ILE 78 H ILE 78 -11.097 1.990 4.347 578 HA ILE 78 HA ILE 78 -13.977 2.259 4.204 579 HB ILE 78 HB ILE 78 -11.774 2.617 2.186 580 HG12 ILE 78 2HG1 ILE 78 -13.537 4.829 2.375 581 HG13 ILE 78 3HG1 ILE 78 -13.185 4.312 4.021 582 HG21 ILE 78 1HG2 ILE 78 -13.762 3.486 0.745 583 HG22 ILE 78 2HG2 ILE 78 -13.387 1.764 0.778 584 HG23 ILE 78 3HG2 ILE 78 -14.718 2.395 1.747 585 HD11 ILE 78 3HD1 ILE 78 -11.670 6.069 3.014 586 HD12 ILE 78 1HD1 ILE 78 -10.885 4.674 3.752 587 HD13 ILE 78 2HD1 ILE 78 -11.024 4.782 1.997 588 H VAL 79 H VAL 79 -14.961 0.307 4.392 589 HA VAL 79 HA VAL 79 -14.033 -2.121 3.326 590 HB VAL 79 HB VAL 79 -16.855 -1.298 4.023 591 HG11 VAL 79 1HG1 VAL 79 -17.379 -3.175 2.895 592 HG12 VAL 79 2HG1 VAL 79 -15.728 -3.795 2.951 593 HG13 VAL 79 3HG1 VAL 79 -16.790 -3.982 4.348 594 HG21 VAL 79 3HG2 VAL 79 -15.838 -1.218 6.055 595 HG22 VAL 79 1HG2 VAL 79 -16.142 -2.954 5.984 596 HG23 VAL 79 2HG2 VAL 79 -14.547 -2.320 5.577 597 H VAL 80 H VAL 80 -14.471 -3.219 1.450 598 HA VAL 80 HA VAL 80 -15.958 -1.750 -0.628 599 HB VAL 80 HB VAL 80 -13.495 -3.421 -1.134 600 HG11 VAL 80 1HG1 VAL 80 -13.575 -2.416 -3.358 601 HG12 VAL 80 2HG1 VAL 80 -15.064 -3.294 -3.005 602 HG13 VAL 80 3HG1 VAL 80 -15.034 -1.533 -2.913 603 HG21 VAL 80 3HG2 VAL 80 -12.411 -1.205 -1.617 604 HG22 VAL 80 1HG2 VAL 80 -13.801 -0.439 -0.848 605 HG23 VAL 80 2HG2 VAL 80 -12.759 -1.514 0.084 606 H LYS 81 H LYS 81 -17.126 -2.983 -2.111 607 HA LYS 81 HA LYS 81 -17.543 -5.787 -1.311 608 HB2 LYS 81 2HB LYS 81 -19.394 -3.625 -2.153 609 HB3 LYS 81 3HB LYS 81 -19.766 -5.247 -2.722 610 HG2 LYS 81 2HG LYS 81 -19.327 -5.783 -0.137 611 HG3 LYS 81 3HG LYS 81 -19.885 -4.114 -0.001 612 HD2 LYS 81 2HD LYS 81 -21.843 -4.803 -1.463 613 HD3 LYS 81 3HD LYS 81 -21.330 -6.471 -1.193 614 HE2 LYS 81 2HE LYS 81 -22.312 -6.501 0.800 615 HE3 LYS 81 3HE LYS 81 -21.428 -5.061 1.303 616 HZ1 LYS 81 3HZ LYS 81 -23.913 -5.000 -0.318 617 HZ2 LYS 81 1HZ LYS 81 -23.110 -3.677 0.366 618 HZ3 LYS 81 2HZ LYS 81 -23.874 -4.811 1.362 619 H GLN 82 H GLN 82 -18.323 -7.216 -3.108 620 HA GLN 82 HA GLN 82 -16.497 -7.015 -5.315 621 HB2 GLN 82 2HB GLN 82 -17.213 -9.155 -4.117 622 HB3 GLN 82 3HB GLN 82 -18.716 -9.032 -5.021 623 HG2 GLN 82 2HG GLN 82 -17.028 -10.554 -6.023 624 HG3 GLN 82 3HG GLN 82 -17.584 -9.271 -7.096 625 HE21 GLN 82 1HE2 GLN 82 -16.180 -7.617 -7.661 626 HE22 GLN 82 2HE2 GLN 82 -14.475 -7.727 -7.410 627 H GLY 83 H GLY 83 -16.887 -5.793 -7.034 628 HA2 GLY 83 2HA GLY 83 -18.320 -5.734 -9.073 629 HA3 GLY 83 3HA GLY 83 -19.682 -5.573 -7.973 630 H PHE 84 H PHE 84 -16.930 -3.901 -6.925 631 HA PHE 84 HA PHE 84 -17.726 -1.423 -8.265 632 HB2 PHE 84 2HB PHE 84 -17.274 -1.477 -5.287 633 HB3 PHE 84 3HB PHE 84 -17.977 -0.190 -6.261 634 HD1 PHE 84 HD1 PHE 84 -20.259 -0.462 -7.194 635 HD2 PHE 84 HD2 PHE 84 -18.595 -3.238 -4.430 636 HE1 PHE 84 HE1 PHE 84 -22.511 -1.330 -6.715 637 HE2 PHE 84 HE2 PHE 84 -20.844 -4.111 -3.947 638 HZ PHE 84 HZ PHE 84 -22.806 -3.158 -5.091 639 H GLU 85 H GLU 85 -15.930 -0.780 -9.251 640 HA GLU 85 HA GLU 85 -13.390 -0.934 -7.763 641 HB2 GLU 85 2HB GLU 85 -13.436 -2.468 -9.688 642 HB3 GLU 85 3HB GLU 85 -13.801 -1.118 -10.753 643 HG2 GLU 85 2HG GLU 85 -11.405 -0.738 -9.123 644 HG3 GLU 85 3HG GLU 85 -11.314 -2.094 -10.246 645 HA PRO 86 HA PRO 86 -14.158 3.532 -8.355 646 HB2 PRO 86 2HB PRO 86 -12.780 4.269 -6.134 647 HB3 PRO 86 3HB PRO 86 -14.467 3.741 -6.087 648 HG2 PRO 86 2HG PRO 86 -11.979 2.192 -5.474 649 HG3 PRO 86 3HG PRO 86 -13.524 2.218 -4.604 650 HD2 PRO 86 2HD PRO 86 -12.848 0.229 -6.312 651 HD3 PRO 86 3HD PRO 86 -14.526 0.762 -6.083 652 HA PRO 87 HA PRO 87 -10.286 4.277 -10.366 653 HB2 PRO 87 2HB PRO 87 -10.595 6.940 -10.793 654 HB3 PRO 87 3HB PRO 87 -11.453 5.711 -11.730 655 HG2 PRO 87 2HG PRO 87 -12.418 7.340 -9.412 656 HG3 PRO 87 3HG PRO 87 -13.256 6.935 -10.921 657 HD2 PRO 87 2HD PRO 87 -13.727 5.628 -8.597 658 HD3 PRO 87 3HD PRO 87 -13.840 4.832 -10.179 659 H THR 88 H THR 88 -11.259 5.716 -7.401 660 HA THR 88 HA THR 88 -8.913 7.289 -6.952 661 HB THR 88 HB THR 88 -9.766 7.773 -4.831 662 HG1 THR 88 HG1 THR 88 -10.331 6.106 -3.663 663 HG21 THR 88 3HG2 THR 88 -11.265 8.488 -6.697 664 HG22 THR 88 1HG2 THR 88 -12.090 8.294 -5.151 665 HG23 THR 88 2HG2 THR 88 -12.245 7.054 -6.395 666 H PHE 89 H PHE 89 -10.037 4.133 -5.755 667 HA PHE 89 HA PHE 89 -7.834 3.558 -4.133 668 HB2 PHE 89 2HB PHE 89 -9.501 2.056 -3.714 669 HB3 PHE 89 3HB PHE 89 -10.008 1.988 -5.398 670 HD1 PHE 89 HD1 PHE 89 -7.747 0.618 -2.877 671 HD2 PHE 89 HD2 PHE 89 -8.993 0.434 -6.943 672 HE1 PHE 89 HE1 PHE 89 -6.585 -1.536 -3.132 673 HE2 PHE 89 HE2 PHE 89 -7.834 -1.720 -7.204 674 HZ PHE 89 HZ PHE 89 -6.629 -2.709 -5.298 675 H THR 90 H THR 90 -8.445 2.747 -7.534 676 HA THR 90 HA THR 90 -6.231 1.208 -8.085 677 HB THR 90 HB THR 90 -6.987 3.246 -10.122 678 HG1 THR 90 HG1 THR 90 -8.720 1.173 -9.208 679 HG21 THR 90 3HG2 THR 90 -6.773 0.240 -10.276 680 HG22 THR 90 1HG2 THR 90 -5.428 1.342 -10.566 681 HG23 THR 90 2HG2 THR 90 -6.841 1.376 -11.622 682 H GLY 91 H GLY 91 -6.455 4.714 -7.816 683 HA2 GLY 91 2HA GLY 91 -4.004 5.448 -8.905 684 HA3 GLY 91 3HA GLY 91 -4.829 6.322 -7.623 685 H TRP 92 H TRP 92 -4.658 3.774 -5.962 686 HA TRP 92 HA TRP 92 -2.262 4.471 -4.591 687 HB2 TRP 92 2HB TRP 92 -4.125 2.112 -4.250 688 HB3 TRP 92 3HB TRP 92 -2.811 2.515 -3.148 689 HD1 TRP 92 HD1 TRP 92 -6.330 2.766 -3.143 690 HE1 TRP 92 HE1 TRP 92 -7.199 4.781 -1.799 691 HE3 TRP 92 HE3 TRP 92 -2.009 5.485 -2.872 692 HZ2 TRP 92 HZ2 TRP 92 -6.188 7.203 -0.761 693 HZ3 TRP 92 HZ3 TRP 92 -2.045 7.641 -1.686 694 HH2 TRP 92 HH2 TRP 92 -4.092 8.480 -0.654 695 H PHE 93 H PHE 93 -2.827 2.583 -7.300 696 HA PHE 93 HA PHE 93 -0.500 0.864 -6.813 697 HB2 PHE 93 2HB PHE 93 -2.761 0.744 -8.799 698 HB3 PHE 93 3HB PHE 93 -1.299 -0.215 -9.007 699 HD1 PHE 93 HD1 PHE 93 -3.719 0.582 -6.276 700 HD2 PHE 93 HD2 PHE 93 -1.409 -2.379 -8.280 701 HE1 PHE 93 HE1 PHE 93 -4.646 -1.144 -4.787 702 HE2 PHE 93 HE2 PHE 93 -2.334 -4.110 -6.796 703 HZ PHE 93 HZ PHE 93 -3.955 -3.494 -5.047 704 H MET 94 H MET 94 0.808 0.439 -8.908 705 HA MET 94 HA MET 94 1.930 2.954 -9.702 706 HB2 MET 94 2HB MET 94 2.657 0.367 -11.020 707 HB3 MET 94 3HB MET 94 3.685 1.732 -10.606 708 HG2 MET 94 2HG MET 94 2.911 0.948 -8.148 709 HG3 MET 94 3HG MET 94 2.883 -0.594 -9.001 710 HE1 MET 94 3HE MET 94 4.600 -1.226 -10.612 711 HE2 MET 94 1HE MET 94 5.864 -0.080 -11.060 712 HE3 MET 94 2HE MET 94 6.242 -1.440 -10.003 713 H ALA 95 H ALA 95 -0.518 0.929 -10.921 714 HA ALA 95 HA ALA 95 -0.325 2.147 -13.592 715 HB1 ALA 95 1HB ALA 95 -1.313 0.296 -14.500 716 HB2 ALA 95 2HB ALA 95 -0.486 -0.442 -13.128 717 HB3 ALA 95 3HB ALA 95 -2.210 -0.084 -13.030 718 H TRP 96 H TRP 96 -1.467 3.976 -13.675 719 HA TRP 96 HA TRP 96 -3.653 4.597 -12.007 720 HB2 TRP 96 2HB TRP 96 -2.403 5.814 -14.421 721 HB3 TRP 96 3HB TRP 96 -4.029 6.339 -13.994 722 HD1 TRP 96 HD1 TRP 96 -0.502 7.088 -13.274 723 HE1 TRP 96 HE1 TRP 96 -0.294 8.628 -11.222 724 HE3 TRP 96 HE3 TRP 96 -5.263 6.670 -11.458 725 HZ2 TRP 96 HZ2 TRP 96 -1.931 9.544 -9.113 726 HZ3 TRP 96 HZ3 TRP 96 -5.861 7.910 -9.419 727 HH2 TRP 96 HH2 TRP 96 -4.228 9.317 -8.272 728 H ASP 97 H ASP 97 -5.866 5.099 -12.759 729 HA ASP 97 HA ASP 97 -6.793 3.039 -14.648 730 HB2 ASP 97 2HB ASP 97 -7.525 3.189 -12.102 731 HB3 ASP 97 3HB ASP 97 -8.663 4.372 -12.741 732 HA PRO 98 HA PRO 98 -8.074 6.248 -17.389 733 HB2 PRO 98 2HB PRO 98 -9.806 4.800 -18.896 734 HB3 PRO 98 3HB PRO 98 -8.051 4.638 -19.027 735 HG2 PRO 98 2HG PRO 98 -10.006 2.919 -17.550 736 HG3 PRO 98 3HG PRO 98 -8.627 2.435 -18.553 737 HD2 PRO 98 2HD PRO 98 -8.517 2.476 -15.848 738 HD3 PRO 98 3HD PRO 98 -7.104 2.819 -16.866 739 H LEU 99 H LEU 99 -10.074 4.732 -15.113 740 HA LEU 99 HA LEU 99 -12.473 6.201 -15.855 741 HB2 LEU 99 2HB LEU 99 -11.806 4.108 -13.835 742 HB3 LEU 99 3HB LEU 99 -13.241 5.105 -13.606 743 HG LEU 99 HG LEU 99 -13.820 2.987 -14.638 744 HD11 LEU 99 1HD1 LEU 99 -14.107 4.830 -16.932 745 HD12 LEU 99 2HD1 LEU 99 -14.739 5.380 -15.381 746 HD13 LEU 99 3HD1 LEU 99 -15.320 3.871 -16.084 747 HD21 LEU 99 3HD2 LEU 99 -13.007 2.382 -16.848 748 HD22 LEU 99 1HD2 LEU 99 -11.664 2.535 -15.716 749 HD23 LEU 99 2HD2 LEU 99 -11.983 3.818 -16.883 750 H CYS 100 H CYS 100 -9.788 7.272 -14.660 751 HA CYS 100 HA CYS 100 -10.386 8.396 -12.148 752 HB2 CYS 100 2HB CYS 100 -8.348 8.864 -14.263 753 HB3 CYS 100 3HB CYS 100 -8.588 10.146 -13.082 754 HG CYS 100 HG CYS 100 -8.394 7.452 -11.334 755 H TRP 101 H TRP 101 -11.483 9.162 -15.280 756 HA TRP 101 HA TRP 101 -12.167 11.911 -14.590 757 HB2 TRP 101 2HB TRP 101 -12.098 10.305 -17.093 758 HB3 TRP 101 3HB TRP 101 -13.269 11.619 -17.011 759 HD1 TRP 101 HD1 TRP 101 -9.543 11.444 -15.901 760 HE1 TRP 101 HE1 TRP 101 -8.325 13.466 -16.927 761 HE3 TRP 101 HE3 TRP 101 -13.432 13.496 -18.509 762 HZ2 TRP 101 HZ2 TRP 101 -8.932 15.643 -18.618 763 HZ3 TRP 101 HZ3 TRP 101 -13.030 15.549 -19.805 764 HH2 TRP 101 HH2 TRP 101 -10.826 16.598 -19.857 765 H SER 102 H SER 102 -13.404 9.275 -13.521 766 HA SER 102 HA SER 102 -16.085 9.176 -14.378 767 HB2 SER 102 2HB SER 102 -16.489 7.786 -12.459 768 HB3 SER 102 3HB SER 102 -14.881 7.394 -13.066 769 HG SER 102 HG SER 102 -15.640 8.637 -10.702 770 H ASP 103 H ASP 103 -14.430 11.459 -12.498 771 HA ASP 103 HA ASP 103 -16.845 12.395 -11.147 772 HB2 ASP 103 2HB ASP 103 -14.005 13.424 -10.971 773 HB3 ASP 103 3HB ASP 103 -15.355 13.938 -9.964 774 H ARG 104 H ARG 104 -14.475 13.444 -13.548 775 HA ARG 104 HA ARG 104 -15.366 16.051 -13.943 776 HB2 ARG 104 2HB ARG 104 -13.935 14.058 -15.651 777 HB3 ARG 104 3HB ARG 104 -14.511 15.549 -16.384 778 HG2 ARG 104 2HG ARG 104 -13.063 15.958 -13.883 779 HG3 ARG 104 3HG ARG 104 -12.098 15.212 -15.159 780 HD2 ARG 104 2HD ARG 104 -12.212 17.048 -16.509 781 HD3 ARG 104 3HD ARG 104 -13.785 17.543 -15.886 782 HE ARG 104 HE ARG 104 -11.213 18.343 -14.912 783 HH11 ARG 104 1HH1 ARG 104 -14.544 17.832 -14.039 784 HH12 ARG 104 2HH1 ARG 104 -14.503 18.945 -12.711 785 HH21 ARG 104 1HH2 ARG 104 -11.146 19.811 -13.167 786 HH22 ARG 104 2HH2 ARG 104 -12.570 20.071 -12.217 787 H LYS 105 H LYS 105 -16.671 13.014 -15.057 788 HA LYS 105 HA LYS 105 -18.415 14.139 -17.025 789 HB2 LYS 105 2HB LYS 105 -18.097 11.455 -15.744 790 HB3 LYS 105 3HB LYS 105 -19.568 11.803 -16.643 791 HG2 LYS 105 2HG LYS 105 -17.796 12.607 -18.456 792 HG3 LYS 105 3HG LYS 105 -16.795 11.429 -17.604 793 HD2 LYS 105 2HD LYS 105 -18.461 9.704 -17.975 794 HD3 LYS 105 3HD LYS 105 -19.534 10.875 -18.745 795 HE2 LYS 105 2HE LYS 105 -18.541 9.821 -20.556 796 HE3 LYS 105 3HE LYS 105 -17.556 11.270 -20.362 797 HZ1 LYS 105 3HZ LYS 105 -15.794 10.076 -19.557 798 HZ2 LYS 105 1HZ LYS 105 -16.441 8.956 -20.647 799 HZ3 LYS 105 2HZ LYS 105 -16.750 8.801 -18.991 800 H SER 106 H SER 106 -18.511 13.820 -13.616 801 HA SER 106 HA SER 106 -21.413 14.266 -13.558 802 HB2 SER 106 2HB SER 106 -20.929 13.939 -10.991 803 HB3 SER 106 3HB SER 106 -21.010 12.542 -12.063 804 HG SER 106 HG SER 106 -19.097 12.918 -10.523 805 H TYR 107 H TYR 107 -22.256 15.888 -12.075 806 HA TYR 107 HA TYR 107 -20.799 18.358 -12.319 807 HB2 TYR 107 2HB TYR 107 -23.542 17.550 -11.535 808 HB3 TYR 107 3HB TYR 107 -22.944 19.056 -10.850 809 HD1 TYR 107 HD2 TYR 107 -22.487 20.977 -12.273 810 HD2 TYR 107 HD1 TYR 107 -23.954 17.338 -13.918 811 HE1 TYR 107 HE2 TYR 107 -23.048 22.153 -14.358 812 HE2 TYR 107 HE1 TYR 107 -24.519 18.504 -16.009 813 HH TYR 107 HH TYR 107 -23.626 20.678 -17.202 Start of MODEL 2 1 HA PRO 1 HA PRO 1 1.202 0.434 -1.826 2 HB2 PRO 1 2HB PRO 1 3.534 0.398 -3.215 3 HB3 PRO 1 3HB PRO 1 2.983 1.805 -2.298 4 HG2 PRO 1 2HG PRO 1 4.973 -0.296 -1.530 5 HG3 PRO 1 3HG PRO 1 5.058 1.461 -1.306 6 HD2 PRO 1 2HD PRO 1 4.366 -0.231 0.692 7 HD3 PRO 1 3HD PRO 1 3.711 1.414 0.564 8 H ARG 2 H ARG 2 1.844 -2.291 -0.475 9 HA ARG 2 HA ARG 2 1.989 -3.831 -2.983 10 HB2 ARG 2 2HB ARG 2 3.052 -4.555 -0.249 11 HB3 ARG 2 3HB ARG 2 2.947 -5.685 -1.592 12 HG2 ARG 2 2HG ARG 2 5.046 -5.050 -2.014 13 HG3 ARG 2 3HG ARG 2 4.298 -3.622 -2.733 14 HD2 ARG 2 2HD ARG 2 6.058 -2.953 -1.213 15 HD3 ARG 2 3HD ARG 2 4.491 -2.461 -0.571 16 HE ARG 2 HE ARG 2 5.284 -4.999 0.441 17 HH11 ARG 2 1HH1 ARG 2 5.817 -1.575 0.780 18 HH12 ARG 2 2HH1 ARG 2 6.303 -1.683 2.439 19 HH21 ARG 2 1HH2 ARG 2 5.921 -5.153 2.626 20 HH22 ARG 2 2HH2 ARG 2 6.362 -3.719 3.488 21 H LEU 3 H LEU 3 1.038 -6.117 -2.630 22 HA LEU 3 HA LEU 3 -1.568 -5.775 -1.313 23 HB2 LEU 3 2HB LEU 3 -0.648 -7.214 -3.739 24 HB3 LEU 3 3HB LEU 3 -1.978 -7.924 -2.826 25 HG LEU 3 HG LEU 3 -1.945 -5.163 -4.046 26 HD11 LEU 3 1HD1 LEU 3 -2.139 -7.327 -5.500 27 HD12 LEU 3 2HD1 LEU 3 -3.224 -5.965 -5.775 28 HD13 LEU 3 3HD1 LEU 3 -3.782 -7.366 -4.860 29 HD21 LEU 3 3HD2 LEU 3 -4.532 -6.137 -3.311 30 HD22 LEU 3 1HD2 LEU 3 -3.703 -4.672 -2.785 31 HD23 LEU 3 2HD2 LEU 3 -3.465 -6.184 -1.907 32 H PHE 4 H PHE 4 -2.534 -8.091 -0.789 33 HA PHE 4 HA PHE 4 -0.581 -9.922 0.310 34 HB2 PHE 4 2HB PHE 4 -2.462 -8.362 2.090 35 HB3 PHE 4 3HB PHE 4 -1.586 -9.800 2.605 36 HD1 PHE 4 HD1 PHE 4 0.890 -9.752 2.730 37 HD2 PHE 4 HD2 PHE 4 -1.409 -6.250 1.978 38 HE1 PHE 4 HE1 PHE 4 2.822 -8.357 3.340 39 HE2 PHE 4 HE2 PHE 4 0.520 -4.849 2.587 40 HZ PHE 4 HZ PHE 4 2.640 -5.902 3.268 41 H GLU 5 H GLU 5 -1.398 -11.641 -0.760 42 HA GLU 5 HA GLU 5 -4.263 -12.126 -0.794 43 HB2 GLU 5 2HB GLU 5 -1.904 -13.176 -2.243 44 HB3 GLU 5 3HB GLU 5 -3.222 -14.311 -1.990 45 HG2 GLU 5 2HG GLU 5 -4.640 -13.194 -3.368 46 HG3 GLU 5 3HG GLU 5 -3.909 -11.625 -3.034 47 H CYS 6 H CYS 6 -5.153 -13.042 0.930 48 HA CYS 6 HA CYS 6 -3.745 -15.297 2.195 49 HB2 CYS 6 2HB CYS 6 -5.560 -13.493 3.766 50 HB3 CYS 6 3HB CYS 6 -4.298 -14.572 4.349 51 HG CYS 6 HG CYS 6 -2.393 -12.844 4.399 52 H SER 7 H SER 7 -4.836 -17.070 1.665 53 HA SER 7 HA SER 7 -7.738 -17.097 2.081 54 HB2 SER 7 2HB SER 7 -6.898 -16.865 -0.424 55 HB3 SER 7 3HB SER 7 -6.658 -18.604 -0.261 56 HG SER 7 HG SER 7 -8.711 -18.712 -0.680 57 H ASN 8 H ASN 8 -8.623 -19.219 2.435 58 HA ASN 8 HA ASN 8 -6.702 -20.973 3.753 59 HB2 ASN 8 2HB ASN 8 -8.808 -22.131 4.569 60 HB3 ASN 8 3HB ASN 8 -8.595 -20.467 5.104 61 HD21 ASN 8 1HD2 ASN 8 -10.528 -19.586 5.242 62 HD22 ASN 8 2HD2 ASN 8 -11.767 -19.667 4.041 63 H LYS 9 H LYS 9 -6.313 -23.070 3.185 64 HA LYS 9 HA LYS 9 -6.813 -23.802 0.469 65 HB2 LYS 9 2HB LYS 9 -5.494 -25.193 2.791 66 HB3 LYS 9 3HB LYS 9 -5.722 -25.996 1.243 67 HG2 LYS 9 2HG LYS 9 -4.189 -24.675 0.172 68 HG3 LYS 9 3HG LYS 9 -4.406 -23.327 1.292 69 HD2 LYS 9 2HD LYS 9 -2.280 -24.202 1.790 70 HD3 LYS 9 3HD LYS 9 -3.342 -24.830 3.053 71 HE2 LYS 9 2HE LYS 9 -3.180 -26.968 2.312 72 HE3 LYS 9 3HE LYS 9 -3.051 -26.487 0.621 73 HZ1 LYS 9 3HZ LYS 9 -0.929 -27.137 0.939 74 HZ2 LYS 9 1HZ LYS 9 -0.960 -26.865 2.609 75 HZ3 LYS 9 2HZ LYS 9 -0.747 -25.568 1.544 76 H THR 10 H THR 10 -7.703 -25.365 3.552 77 HA THR 10 HA THR 10 -10.190 -26.278 2.283 78 HB THR 10 HB THR 10 -9.997 -28.492 3.169 79 HG1 THR 10 HG1 THR 10 -8.282 -29.106 4.485 80 HG21 THR 10 3HG2 THR 10 -8.181 -29.367 1.898 81 HG22 THR 10 1HG2 THR 10 -7.289 -27.851 2.008 82 HG23 THR 10 2HG2 THR 10 -8.762 -27.939 1.042 83 H GLY 11 H GLY 11 -8.448 -26.289 5.404 84 HA2 GLY 11 2HA GLY 11 -10.885 -25.190 6.645 85 HA3 GLY 11 3HA GLY 11 -10.081 -26.580 7.360 86 H ARG 12 H ARG 12 -7.719 -24.701 6.039 87 HA ARG 12 HA ARG 12 -7.356 -23.165 8.527 88 HB2 ARG 12 2HB ARG 12 -5.211 -24.556 6.912 89 HB3 ARG 12 3HB ARG 12 -4.933 -23.553 8.330 90 HG2 ARG 12 2HG ARG 12 -6.736 -25.921 8.529 91 HG3 ARG 12 3HG ARG 12 -4.985 -26.141 8.547 92 HD2 ARG 12 2HD ARG 12 -5.871 -23.998 10.304 93 HD3 ARG 12 3HD ARG 12 -6.582 -25.557 10.721 94 HE ARG 12 HE ARG 12 -3.836 -25.912 10.308 95 HH11 ARG 12 1HH1 ARG 12 -6.012 -24.360 12.539 96 HH12 ARG 12 2HH1 ARG 12 -4.935 -24.498 13.889 97 HH21 ARG 12 1HH2 ARG 12 -2.409 -26.100 12.078 98 HH22 ARG 12 2HH2 ARG 12 -2.885 -25.487 13.625 99 H PHE 13 H PHE 13 -6.736 -21.074 8.330 100 HA PHE 13 HA PHE 13 -6.820 -19.923 5.674 101 HB2 PHE 13 2HB PHE 13 -8.022 -18.576 7.110 102 HB3 PHE 13 3HB PHE 13 -6.932 -18.864 8.463 103 HD1 PHE 13 HD2 PHE 13 -4.871 -17.591 8.693 104 HD2 PHE 13 HD1 PHE 13 -7.600 -16.834 5.516 105 HE1 PHE 13 HE2 PHE 13 -3.760 -15.440 8.257 106 HE2 PHE 13 HE1 PHE 13 -6.493 -14.681 5.074 107 HZ PHE 13 HZ PHE 13 -4.571 -13.981 6.446 108 H LEU 14 H LEU 14 -5.166 -18.913 4.619 109 HA LEU 14 HA LEU 14 -2.505 -19.079 5.876 110 HB2 LEU 14 2HB LEU 14 -3.461 -19.876 3.185 111 HB3 LEU 14 3HB LEU 14 -1.858 -19.151 3.292 112 HG LEU 14 HG LEU 14 -1.720 -21.577 3.301 113 HD11 LEU 14 1HD1 LEU 14 -0.126 -20.179 4.628 114 HD12 LEU 14 2HD1 LEU 14 -0.294 -21.843 5.189 115 HD13 LEU 14 3HD1 LEU 14 -1.098 -20.534 6.056 116 HD21 LEU 14 3HD2 LEU 14 -2.995 -21.781 5.971 117 HD22 LEU 14 1HD2 LEU 14 -2.895 -22.964 4.666 118 HD23 LEU 14 2HD2 LEU 14 -4.054 -21.638 4.567 119 H ALA 15 H ALA 15 -1.320 -17.269 5.918 120 HA ALA 15 HA ALA 15 -2.371 -14.921 4.487 121 HB1 ALA 15 1HB ALA 15 -1.672 -13.558 6.217 122 HB2 ALA 15 2HB ALA 15 -2.181 -15.014 7.075 123 HB3 ALA 15 3HB ALA 15 -0.467 -14.717 6.782 124 H THR 16 H THR 16 -1.237 -14.234 2.806 125 HA THR 16 HA THR 16 1.686 -14.511 2.843 126 HB THR 16 HB THR 16 0.282 -14.927 0.243 127 HG1 THR 16 HG1 THR 16 -0.344 -16.907 0.739 128 HG21 THR 16 3HG2 THR 16 2.362 -16.679 0.396 129 HG22 THR 16 1HG2 THR 16 2.936 -15.365 1.422 130 HG23 THR 16 2HG2 THR 16 2.477 -15.043 -0.250 131 H GLU 17 H GLU 17 2.806 -13.032 1.439 132 HA GLU 17 HA GLU 17 1.257 -10.578 0.973 133 HB2 GLU 17 2HB GLU 17 3.035 -10.151 2.483 134 HB3 GLU 17 3HB GLU 17 4.181 -11.062 1.510 135 HG2 GLU 17 2HG GLU 17 2.883 -8.670 0.316 136 HG3 GLU 17 3HG GLU 17 4.164 -8.440 1.505 137 H ILE 18 H ILE 18 1.452 -9.435 -0.962 138 HA ILE 18 HA ILE 18 2.803 -10.841 -3.166 139 HB ILE 18 HB ILE 18 0.061 -9.583 -3.327 140 HG12 ILE 18 2HG1 ILE 18 0.090 -11.742 -2.117 141 HG13 ILE 18 3HG1 ILE 18 -0.770 -11.849 -3.648 142 HG21 ILE 18 1HG2 ILE 18 2.016 -10.175 -5.327 143 HG22 ILE 18 2HG2 ILE 18 0.608 -11.210 -5.557 144 HG23 ILE 18 3HG2 ILE 18 0.416 -9.458 -5.514 145 HD11 ILE 18 3HD1 ILE 18 2.086 -12.704 -3.267 146 HD12 ILE 18 1HD1 ILE 18 0.700 -13.787 -3.142 147 HD13 ILE 18 2HD1 ILE 18 1.057 -12.985 -4.672 148 H VAL 19 H VAL 19 4.304 -9.553 -3.984 149 HA VAL 19 HA VAL 19 4.760 -6.914 -3.451 150 HB VAL 19 HB VAL 19 5.352 -8.218 -6.110 151 HG11 VAL 19 1HG1 VAL 19 5.913 -6.012 -6.423 152 HG12 VAL 19 2HG1 VAL 19 6.319 -5.760 -4.724 153 HG13 VAL 19 3HG1 VAL 19 7.423 -6.650 -5.773 154 HG21 VAL 19 3HG2 VAL 19 6.313 -9.717 -4.651 155 HG22 VAL 19 1HG2 VAL 19 7.630 -8.564 -4.869 156 HG23 VAL 19 2HG2 VAL 19 6.623 -8.489 -3.423 157 H ASP 20 H ASP 20 4.373 -4.946 -4.521 158 HA ASP 20 HA ASP 20 1.823 -4.332 -5.239 159 HB2 ASP 20 2HB ASP 20 3.739 -2.727 -4.826 160 HB3 ASP 20 3HB ASP 20 4.214 -2.988 -6.502 161 H PHE 21 H PHE 21 0.769 -5.703 -6.609 162 HA PHE 21 HA PHE 21 1.843 -5.969 -9.336 163 HB2 PHE 21 2HB PHE 21 0.236 -7.762 -7.591 164 HB3 PHE 21 3HB PHE 21 -0.105 -7.805 -9.318 165 HD1 PHE 21 HD1 PHE 21 3.228 -7.124 -7.931 166 HD2 PHE 21 HD2 PHE 21 0.658 -10.035 -9.674 167 HE1 PHE 21 HE1 PHE 21 5.154 -8.617 -8.269 168 HE2 PHE 21 HE2 PHE 21 2.580 -11.533 -10.013 169 HZ PHE 21 HZ PHE 21 4.831 -10.826 -9.310 170 H THR 22 H THR 22 -0.083 -6.372 -10.953 171 HA THR 22 HA THR 22 -1.829 -4.034 -10.687 172 HB THR 22 HB THR 22 -2.078 -4.036 -13.042 173 HG1 THR 22 HG1 THR 22 -1.445 -5.784 -14.326 174 HG21 THR 22 3HG2 THR 22 0.086 -3.200 -12.350 175 HG22 THR 22 1HG2 THR 22 0.256 -4.065 -13.877 176 HG23 THR 22 2HG2 THR 22 0.757 -4.831 -12.369 177 H GLN 23 H GLN 23 -4.012 -4.330 -11.876 178 HA GLN 23 HA GLN 23 -5.556 -6.162 -10.424 179 HB2 GLN 23 2HB GLN 23 -6.311 -4.840 -13.034 180 HB3 GLN 23 3HB GLN 23 -7.411 -5.476 -11.818 181 HG2 GLN 23 2HG GLN 23 -5.517 -3.178 -11.388 182 HG3 GLN 23 3HG GLN 23 -7.227 -3.020 -11.785 183 HE21 GLN 23 1HE2 GLN 23 -8.750 -4.050 -10.271 184 HE22 GLN 23 2HE2 GLN 23 -8.369 -4.023 -8.586 185 H ASP 24 H ASP 24 -3.720 -6.556 -13.282 186 HA ASP 24 HA ASP 24 -5.104 -8.565 -14.624 187 HB2 ASP 24 2HB ASP 24 -2.144 -8.026 -14.366 188 HB3 ASP 24 3HB ASP 24 -2.798 -9.275 -15.423 189 H ASP 25 H ASP 25 -2.675 -8.849 -12.045 190 HA ASP 25 HA ASP 25 -2.941 -11.709 -11.908 191 HB2 ASP 25 2HB ASP 25 -1.352 -9.630 -10.495 192 HB3 ASP 25 3HB ASP 25 -1.633 -11.145 -9.642 193 H LEU 26 H LEU 26 -4.777 -9.145 -10.787 194 HA LEU 26 HA LEU 26 -5.576 -10.013 -8.239 195 HB2 LEU 26 2HB LEU 26 -6.022 -7.794 -9.549 196 HB3 LEU 26 3HB LEU 26 -7.478 -8.634 -10.081 197 HG LEU 26 HG LEU 26 -7.953 -7.181 -8.193 198 HD11 LEU 26 1HD1 LEU 26 -8.039 -10.091 -7.410 199 HD12 LEU 26 2HD1 LEU 26 -9.213 -9.269 -8.436 200 HD13 LEU 26 3HD1 LEU 26 -9.039 -8.798 -6.746 201 HD21 LEU 26 3HD2 LEU 26 -5.709 -7.209 -7.187 202 HD22 LEU 26 1HD2 LEU 26 -5.980 -8.870 -6.659 203 HD23 LEU 26 2HD2 LEU 26 -6.973 -7.565 -6.008 204 H ASP 27 H ASP 27 -6.210 -12.071 -7.951 205 HA ASP 27 HA ASP 27 -7.505 -13.726 -9.752 206 HB2 ASP 27 2HB ASP 27 -7.934 -13.839 -6.766 207 HB3 ASP 27 3HB ASP 27 -7.980 -15.174 -7.913 208 H GLU 28 H GLU 28 -9.773 -14.704 -9.244 209 HA GLU 28 HA GLU 28 -11.681 -12.696 -9.824 210 HB2 GLU 28 2HB GLU 28 -12.294 -15.499 -8.891 211 HB3 GLU 28 3HB GLU 28 -13.294 -14.456 -9.894 212 HG2 GLU 28 2HG GLU 28 -11.623 -14.599 -11.684 213 HG3 GLU 28 3HG GLU 28 -10.661 -15.682 -10.681 214 H ASN 29 H ASN 29 -11.656 -14.956 -7.062 215 HA ASN 29 HA ASN 29 -12.727 -12.778 -5.394 216 HB2 ASN 29 2HB ASN 29 -13.528 -15.695 -5.289 217 HB3 ASN 29 3HB ASN 29 -14.110 -14.432 -4.208 218 HD21 ASN 29 1HD2 ASN 29 -14.541 -16.021 -7.162 219 HD22 ASN 29 2HD2 ASN 29 -15.813 -15.033 -7.786 220 H ASP 30 H ASP 30 -10.974 -12.245 -4.217 221 HA ASP 30 HA ASP 30 -9.936 -14.254 -2.385 222 HB2 ASP 30 2HB ASP 30 -8.340 -12.949 -4.536 223 HB3 ASP 30 3HB ASP 30 -7.572 -13.164 -2.965 224 H VAL 31 H VAL 31 -8.467 -13.222 -0.729 225 HA VAL 31 HA VAL 31 -9.588 -10.610 0.000 226 HB VAL 31 HB VAL 31 -8.090 -12.569 1.744 227 HG11 VAL 31 1HG1 VAL 31 -9.628 -10.058 2.392 228 HG12 VAL 31 2HG1 VAL 31 -9.027 -11.205 3.591 229 HG13 VAL 31 3HG1 VAL 31 -7.893 -10.317 2.573 230 HG21 VAL 31 3HG2 VAL 31 -10.816 -12.276 2.492 231 HG22 VAL 31 1HG2 VAL 31 -10.753 -12.665 0.773 232 HG23 VAL 31 2HG2 VAL 31 -9.975 -13.727 1.946 233 H TYR 32 H TYR 32 -8.371 -8.935 -0.576 234 HA TYR 32 HA TYR 32 -5.443 -9.192 -0.382 235 HB2 TYR 32 2HB TYR 32 -6.973 -7.206 -2.067 236 HB3 TYR 32 3HB TYR 32 -5.244 -7.531 -2.110 237 HD1 TYR 32 HD1 TYR 32 -8.570 -8.956 -2.889 238 HD2 TYR 32 HD2 TYR 32 -4.364 -9.284 -3.439 239 HE1 TYR 32 HE1 TYR 32 -8.937 -10.633 -4.650 240 HE2 TYR 32 HE2 TYR 32 -4.719 -10.961 -5.203 241 HH TYR 32 HH TYR 32 -6.470 -12.587 -5.870 242 H LEU 33 H LEU 33 -4.318 -7.078 0.066 243 HA LEU 33 HA LEU 33 -5.868 -5.255 1.744 244 HB2 LEU 33 2HB LEU 33 -3.438 -6.786 2.645 245 HB3 LEU 33 3HB LEU 33 -4.049 -5.357 3.475 246 HG LEU 33 HG LEU 33 -6.055 -7.456 3.083 247 HD11 LEU 33 1HD1 LEU 33 -5.203 -9.060 4.554 248 HD12 LEU 33 2HD1 LEU 33 -3.895 -8.006 5.091 249 HD13 LEU 33 3HD1 LEU 33 -3.858 -8.702 3.471 250 HD21 LEU 33 3HD2 LEU 33 -6.940 -6.334 4.779 251 HD22 LEU 33 1HD2 LEU 33 -5.532 -5.271 4.789 252 HD23 LEU 33 2HD2 LEU 33 -5.550 -6.720 5.795 253 H LEU 34 H LEU 34 -5.508 -3.337 0.852 254 HA LEU 34 HA LEU 34 -2.789 -2.710 -0.092 255 HB2 LEU 34 2HB LEU 34 -4.381 -2.658 -1.888 256 HB3 LEU 34 3HB LEU 34 -5.465 -1.629 -0.955 257 HG LEU 34 HG LEU 34 -3.359 -0.006 -1.029 258 HD11 LEU 34 1HD1 LEU 34 -2.655 -0.306 -3.584 259 HD12 LEU 34 2HD1 LEU 34 -2.900 -2.001 -3.164 260 HD13 LEU 34 3HD1 LEU 34 -1.749 -1.025 -2.253 261 HD21 LEU 34 3HD2 LEU 34 -5.839 -0.167 -2.272 262 HD22 LEU 34 1HD2 LEU 34 -4.703 0.159 -3.582 263 HD23 LEU 34 2HD2 LEU 34 -4.782 1.244 -2.194 264 H ASP 35 H ASP 35 -1.825 -1.760 1.622 265 HA ASP 35 HA ASP 35 -3.231 0.115 3.305 266 HB2 ASP 35 2HB ASP 35 -0.257 -0.225 3.374 267 HB3 ASP 35 3HB ASP 35 -1.380 0.051 4.703 268 H THR 36 H THR 36 -3.620 2.109 2.619 269 HA THR 36 HA THR 36 -1.649 3.426 0.879 270 HB THR 36 HB THR 36 -3.323 4.622 -0.128 271 HG1 THR 36 HG1 THR 36 -4.499 5.738 1.232 272 HG21 THR 36 3HG2 THR 36 -3.791 2.230 -0.478 273 HG22 THR 36 1HG2 THR 36 -5.262 3.200 -0.517 274 HG23 THR 36 2HG2 THR 36 -4.872 2.248 0.915 275 H TRP 37 H TRP 37 -2.102 6.016 1.181 276 HA TRP 37 HA TRP 37 -0.854 6.643 3.644 277 HB2 TRP 37 2HB TRP 37 -0.629 7.934 1.486 278 HB3 TRP 37 3HB TRP 37 -2.240 8.582 1.786 279 HD1 TRP 37 HD1 TRP 37 -0.922 8.470 5.096 280 HE1 TRP 37 HE1 TRP 37 0.185 10.686 5.794 281 HE3 TRP 37 HE3 TRP 37 -0.403 10.607 0.481 282 HZ2 TRP 37 HZ2 TRP 37 1.150 13.030 4.552 283 HZ3 TRP 37 HZ3 TRP 37 0.621 12.838 0.323 284 HH2 TRP 37 HH2 TRP 37 1.380 14.024 2.317 285 H ASP 38 H ASP 38 -4.080 7.540 2.406 286 HA ASP 38 HA ASP 38 -5.010 8.643 4.815 287 HB2 ASP 38 2HB ASP 38 -6.638 7.372 2.603 288 HB3 ASP 38 3HB ASP 38 -7.239 8.489 3.825 289 H GLN 39 H GLN 39 -5.419 5.394 3.440 290 HA GLN 39 HA GLN 39 -5.364 4.090 5.919 291 HB2 GLN 39 2HB GLN 39 -7.680 5.356 5.841 292 HB3 GLN 39 3HB GLN 39 -8.149 3.985 4.844 293 HG2 GLN 39 2HG GLN 39 -8.721 3.694 7.217 294 HG3 GLN 39 3HG GLN 39 -7.627 2.450 6.614 295 HE21 GLN 39 1HE2 GLN 39 -7.217 2.126 8.913 296 HE22 GLN 39 2HE2 GLN 39 -6.032 3.109 9.696 297 H ILE 40 H ILE 40 -6.030 1.766 5.731 298 HA ILE 40 HA ILE 40 -5.110 0.744 3.196 299 HB ILE 40 HB ILE 40 -6.117 -0.889 5.520 300 HG12 ILE 40 2HG1 ILE 40 -3.409 -0.932 5.779 301 HG13 ILE 40 3HG1 ILE 40 -3.659 0.724 5.239 302 HG21 ILE 40 1HG2 ILE 40 -5.266 -2.683 4.468 303 HG22 ILE 40 2HG2 ILE 40 -5.397 -1.674 3.029 304 HG23 ILE 40 3HG2 ILE 40 -3.858 -1.800 3.880 305 HD11 ILE 40 3HD1 ILE 40 -4.105 -0.450 7.821 306 HD12 ILE 40 1HD1 ILE 40 -4.095 1.247 7.342 307 HD13 ILE 40 2HD1 ILE 40 -5.579 0.303 7.211 308 H PHE 41 H PHE 41 -6.363 0.204 1.546 309 HA PHE 41 HA PHE 41 -9.230 0.195 1.816 310 HB2 PHE 41 2HB PHE 41 -7.284 0.098 -0.431 311 HB3 PHE 41 3HB PHE 41 -8.883 -0.580 -0.724 312 HD1 PHE 41 HD1 PHE 41 -7.473 2.451 0.945 313 HD2 PHE 41 HD2 PHE 41 -10.355 0.840 -1.741 314 HE1 PHE 41 HE1 PHE 41 -8.351 4.713 0.536 315 HE2 PHE 41 HE2 PHE 41 -11.237 3.099 -2.155 316 HZ PHE 41 HZ PHE 41 -10.234 5.039 -1.017 317 H PHE 42 H PHE 42 -10.327 -1.519 2.476 318 HA PHE 42 HA PHE 42 -9.173 -4.181 2.214 319 HB2 PHE 42 2HB PHE 42 -11.360 -2.968 3.842 320 HB3 PHE 42 3HB PHE 42 -11.434 -4.694 3.507 321 HD1 PHE 42 HD2 PHE 42 -8.239 -2.951 3.858 322 HD2 PHE 42 HD1 PHE 42 -11.191 -5.304 5.825 323 HE1 PHE 42 HE2 PHE 42 -6.668 -3.373 5.704 324 HE2 PHE 42 HE1 PHE 42 -9.625 -5.728 7.674 325 HZ PHE 42 HZ PHE 42 -7.359 -4.763 7.615 326 H TRP 43 H TRP 43 -9.490 -5.104 0.288 327 HA TRP 43 HA TRP 43 -12.063 -4.747 -1.067 328 HB2 TRP 43 2HB TRP 43 -9.302 -5.370 -1.947 329 HB3 TRP 43 3HB TRP 43 -10.600 -6.152 -2.845 330 HD1 TRP 43 HD1 TRP 43 -10.516 -2.524 -1.475 331 HE1 TRP 43 HE1 TRP 43 -10.895 -0.922 -3.454 332 HE3 TRP 43 HE3 TRP 43 -10.647 -5.943 -5.274 333 HZ2 TRP 43 HZ2 TRP 43 -11.208 -1.086 -6.254 334 HZ3 TRP 43 HZ3 TRP 43 -10.991 -5.138 -7.573 335 HH2 TRP 43 HH2 TRP 43 -11.266 -2.760 -8.051 336 H ILE 44 H ILE 44 -13.528 -6.187 -0.389 337 HA ILE 44 HA ILE 44 -12.687 -8.996 -0.101 338 HB ILE 44 HB ILE 44 -15.007 -7.540 1.167 339 HG12 ILE 44 2HG1 ILE 44 -13.319 -8.942 3.000 340 HG13 ILE 44 3HG1 ILE 44 -12.306 -7.949 1.958 341 HG21 ILE 44 1HG2 ILE 44 -14.389 -10.443 0.912 342 HG22 ILE 44 2HG2 ILE 44 -15.134 -9.854 2.397 343 HG23 ILE 44 3HG2 ILE 44 -15.943 -9.611 0.849 344 HD11 ILE 44 3HD1 ILE 44 -12.758 -6.281 3.344 345 HD12 ILE 44 1HD1 ILE 44 -14.376 -6.265 2.645 346 HD13 ILE 44 2HD1 ILE 44 -14.062 -7.178 4.121 347 H GLY 45 H GLY 45 -13.288 -10.293 -1.698 348 HA2 GLY 45 2HA GLY 45 -15.293 -9.469 -3.606 349 HA3 GLY 45 3HA GLY 45 -14.333 -10.940 -3.667 350 H LYS 46 H LYS 46 -16.393 -11.900 -4.349 351 HA LYS 46 HA LYS 46 -18.365 -12.243 -2.222 352 HB2 LYS 46 2HB LYS 46 -18.333 -12.841 -5.164 353 HB3 LYS 46 3HB LYS 46 -19.528 -13.591 -4.116 354 HG2 LYS 46 2HG LYS 46 -19.423 -10.775 -3.602 355 HG3 LYS 46 3HG LYS 46 -19.643 -11.069 -5.329 356 HD2 LYS 46 2HD LYS 46 -21.526 -12.581 -4.792 357 HD3 LYS 46 3HD LYS 46 -21.332 -12.175 -3.085 358 HE2 LYS 46 2HE LYS 46 -22.052 -9.987 -3.397 359 HE3 LYS 46 3HE LYS 46 -21.717 -10.020 -5.127 360 HZ1 LYS 46 3HZ LYS 46 -23.718 -11.897 -4.156 361 HZ2 LYS 46 1HZ LYS 46 -23.686 -10.989 -5.583 362 HZ3 LYS 46 2HZ LYS 46 -24.151 -10.262 -4.128 363 H GLY 47 H GLY 47 -15.965 -14.043 -4.041 364 HA2 GLY 47 2HA GLY 47 -16.763 -16.606 -3.003 365 HA3 GLY 47 3HA GLY 47 -15.307 -16.259 -3.924 366 H ALA 48 H ALA 48 -14.452 -14.133 -2.097 367 HA ALA 48 HA ALA 48 -12.722 -15.504 -0.464 368 HB1 ALA 48 1HB ALA 48 -12.619 -13.367 0.887 369 HB2 ALA 48 2HB ALA 48 -12.316 -13.211 -0.844 370 HB3 ALA 48 3HB ALA 48 -13.881 -12.745 -0.176 371 H ASN 49 H ASN 49 -12.884 -16.622 1.369 372 HA ASN 49 HA ASN 49 -15.375 -17.182 2.560 373 HB2 ASN 49 2HB ASN 49 -12.536 -17.848 3.134 374 HB3 ASN 49 3HB ASN 49 -13.680 -18.026 4.461 375 HD21 ASN 49 1HD2 ASN 49 -15.370 -19.521 4.271 376 HD22 ASN 49 2HD2 ASN 49 -15.305 -20.816 3.130 377 H GLU 50 H GLU 50 -15.891 -16.868 4.883 378 HA GLU 50 HA GLU 50 -15.779 -14.092 5.537 379 HB2 GLU 50 2HB GLU 50 -16.782 -16.438 7.159 380 HB3 GLU 50 3HB GLU 50 -17.052 -14.746 7.549 381 HG2 GLU 50 2HG GLU 50 -17.941 -15.926 4.942 382 HG3 GLU 50 3HG GLU 50 -18.934 -16.015 6.396 383 H SER 51 H SER 51 -14.057 -16.951 6.571 384 HA SER 51 HA SER 51 -12.866 -15.752 8.879 385 HB2 SER 51 2HB SER 51 -12.394 -18.291 7.341 386 HB3 SER 51 3HB SER 51 -11.267 -17.784 8.600 387 HG SER 51 HG SER 51 -13.406 -17.546 9.844 388 H GLU 52 H GLU 52 -11.802 -16.382 5.558 389 HA GLU 52 HA GLU 52 -9.157 -15.605 5.743 390 HB2 GLU 52 2HB GLU 52 -11.054 -15.109 3.440 391 HB3 GLU 52 3HB GLU 52 -9.299 -15.064 3.344 392 HG2 GLU 52 2HG GLU 52 -9.154 -17.407 3.835 393 HG3 GLU 52 3HG GLU 52 -10.889 -17.493 4.132 394 H LYS 53 H LYS 53 -11.974 -13.556 5.016 395 HA LYS 53 HA LYS 53 -10.575 -11.134 4.798 396 HB2 LYS 53 2HB LYS 53 -12.738 -11.043 3.958 397 HB3 LYS 53 3HB LYS 53 -13.424 -11.868 5.352 398 HG2 LYS 53 2HG LYS 53 -12.208 -9.206 5.809 399 HG3 LYS 53 3HG LYS 53 -13.740 -9.269 4.934 400 HD2 LYS 53 2HD LYS 53 -13.885 -11.015 7.189 401 HD3 LYS 53 3HD LYS 53 -13.307 -9.435 7.724 402 HE2 LYS 53 2HE LYS 53 -15.227 -8.435 6.422 403 HE3 LYS 53 3HE LYS 53 -15.846 -10.075 6.236 404 HZ1 LYS 53 3HZ LYS 53 -15.703 -8.403 8.633 405 HZ2 LYS 53 1HZ LYS 53 -15.526 -10.074 8.828 406 HZ3 LYS 53 2HZ LYS 53 -16.928 -9.449 8.118 407 H GLU 54 H GLU 54 -11.691 -12.928 7.566 408 HA GLU 54 HA GLU 54 -11.402 -10.765 9.429 409 HB2 GLU 54 2HB GLU 54 -11.622 -13.744 9.898 410 HB3 GLU 54 3HB GLU 54 -11.714 -12.512 11.149 411 HG2 GLU 54 2HG GLU 54 -13.586 -12.024 8.991 412 HG3 GLU 54 3HG GLU 54 -13.826 -13.598 9.748 413 H ALA 55 H ALA 55 -9.589 -13.796 8.922 414 HA ALA 55 HA ALA 55 -7.479 -13.174 10.665 415 HB1 ALA 55 1HB ALA 55 -6.455 -15.096 9.912 416 HB2 ALA 55 2HB ALA 55 -8.145 -15.419 9.523 417 HB3 ALA 55 3HB ALA 55 -7.036 -14.886 8.259 418 H ALA 56 H ALA 56 -7.715 -12.839 7.129 419 HA ALA 56 HA ALA 56 -5.165 -11.767 6.704 420 HB1 ALA 56 1HB ALA 56 -5.841 -11.328 4.540 421 HB2 ALA 56 2HB ALA 56 -6.951 -12.613 5.019 422 HB3 ALA 56 3HB ALA 56 -7.491 -10.933 5.023 423 H ALA 57 H ALA 57 -8.074 -10.326 7.922 424 HA ALA 57 HA ALA 57 -7.347 -7.609 7.429 425 HB1 ALA 57 1HB ALA 57 -9.131 -7.348 9.388 426 HB2 ALA 57 2HB ALA 57 -9.595 -7.714 7.726 427 HB3 ALA 57 3HB ALA 57 -9.490 -9.010 8.917 428 H GLU 58 H GLU 58 -7.273 -9.685 10.321 429 HA GLU 58 HA GLU 58 -6.115 -7.735 12.014 430 HB2 GLU 58 2HB GLU 58 -6.346 -10.731 12.166 431 HB3 GLU 58 3HB GLU 58 -5.484 -9.815 13.394 432 HG2 GLU 58 2HG GLU 58 -8.013 -8.589 12.963 433 HG3 GLU 58 3HG GLU 58 -8.254 -10.320 13.195 434 H THR 59 H THR 59 -4.763 -10.265 9.968 435 HA THR 59 HA THR 59 -2.117 -10.195 10.846 436 HB THR 59 HB THR 59 -3.145 -10.722 8.051 437 HG1 THR 59 HG1 THR 59 -2.829 -12.945 8.803 438 HG21 THR 59 3HG2 THR 59 -0.789 -10.249 7.943 439 HG22 THR 59 1HG2 THR 59 -1.012 -11.992 7.797 440 HG23 THR 59 2HG2 THR 59 -0.469 -11.297 9.325 441 H ALA 60 H ALA 60 -3.857 -8.077 8.659 442 HA ALA 60 HA ALA 60 -1.594 -6.726 7.609 443 HB1 ALA 60 1HB ALA 60 -3.500 -4.895 7.279 444 HB2 ALA 60 2HB ALA 60 -3.383 -6.335 6.267 445 HB3 ALA 60 3HB ALA 60 -4.524 -6.292 7.612 446 H GLN 61 H GLN 61 -3.737 -6.105 10.354 447 HA GLN 61 HA GLN 61 -2.914 -3.576 11.081 448 HB2 GLN 61 2HB GLN 61 -3.984 -5.920 12.570 449 HB3 GLN 61 3HB GLN 61 -3.304 -4.600 13.512 450 HG2 GLN 61 2HG GLN 61 -4.848 -3.129 11.996 451 HG3 GLN 61 3HG GLN 61 -5.721 -4.646 11.779 452 HE21 GLN 61 1HE2 GLN 61 -4.104 -3.077 14.523 453 HE22 GLN 61 2HE2 GLN 61 -5.457 -3.173 15.594 454 H GLU 62 H GLU 62 -1.277 -6.635 11.520 455 HA GLU 62 HA GLU 62 0.616 -5.904 13.435 456 HB2 GLU 62 2HB GLU 62 0.703 -7.890 11.172 457 HB3 GLU 62 3HB GLU 62 2.048 -7.690 12.287 458 HG2 GLU 62 2HG GLU 62 -0.704 -8.210 13.323 459 HG3 GLU 62 3HG GLU 62 0.292 -9.534 12.721 460 H TYR 63 H TYR 63 0.610 -5.474 9.934 461 HA TYR 63 HA TYR 63 3.273 -4.458 9.796 462 HB2 TYR 63 2HB TYR 63 2.356 -5.435 7.816 463 HB3 TYR 63 3HB TYR 63 0.952 -4.374 7.867 464 HD1 TYR 63 HD1 TYR 63 1.161 -2.007 7.228 465 HD2 TYR 63 HD2 TYR 63 4.446 -4.690 6.896 466 HE1 TYR 63 HE1 TYR 63 2.313 -0.405 5.760 467 HE2 TYR 63 HE2 TYR 63 5.608 -3.094 5.429 468 HH TYR 63 HH TYR 63 4.659 -1.084 3.781 469 H LEU 64 H LEU 64 0.063 -3.002 9.999 470 HA LEU 64 HA LEU 64 0.692 -0.348 9.529 471 HB2 LEU 64 2HB LEU 64 -1.378 -1.715 11.188 472 HB3 LEU 64 3HB LEU 64 -1.213 0.037 11.284 473 HG LEU 64 HG LEU 64 -2.985 -0.859 9.711 474 HD11 LEU 64 1HD1 LEU 64 -1.654 0.690 7.812 475 HD12 LEU 64 2HD1 LEU 64 -1.075 1.268 9.373 476 HD13 LEU 64 3HD1 LEU 64 -2.805 1.244 9.029 477 HD21 LEU 64 3HD2 LEU 64 -0.523 -1.614 8.142 478 HD22 LEU 64 1HD2 LEU 64 -2.148 -1.513 7.465 479 HD23 LEU 64 2HD2 LEU 64 -1.791 -2.694 8.725 480 H ARG 65 H ARG 65 0.921 -2.192 12.542 481 HA ARG 65 HA ARG 65 1.736 0.019 14.138 482 HB2 ARG 65 2HB ARG 65 2.214 -2.919 14.658 483 HB3 ARG 65 3HB ARG 65 2.232 -1.622 15.845 484 HG2 ARG 65 2HG ARG 65 -0.252 -1.329 14.809 485 HG3 ARG 65 3HG ARG 65 -0.026 -3.073 14.664 486 HD2 ARG 65 2HD ARG 65 0.710 -1.749 17.226 487 HD3 ARG 65 3HD ARG 65 -0.999 -1.981 16.862 488 HE ARG 65 HE ARG 65 0.572 -4.357 16.512 489 HH11 ARG 65 1HH1 ARG 65 -1.164 -2.399 18.808 490 HH12 ARG 65 2HH1 ARG 65 -1.452 -3.709 19.905 491 HH21 ARG 65 1HH2 ARG 65 0.199 -6.090 17.948 492 HH22 ARG 65 2HH2 ARG 65 -0.675 -5.807 19.415 493 H SER 66 H SER 66 3.373 -2.146 12.002 494 HA SER 66 HA SER 66 5.991 -1.855 13.068 495 HB2 SER 66 2HB SER 66 6.693 -3.149 11.293 496 HB3 SER 66 3HB SER 66 4.982 -3.575 11.318 497 HG SER 66 HG SER 66 6.180 -2.757 9.262 498 H HIS 67 H HIS 67 4.008 0.079 10.991 499 HA HIS 67 HA HIS 67 6.286 1.773 10.259 500 HB2 HIS 67 2HB HIS 67 3.577 1.308 9.120 501 HB3 HIS 67 3HB HIS 67 4.270 2.916 8.928 502 HD1 HIS 67 HD1 HIS 67 4.977 2.951 6.544 503 HD2 HIS 67 HD2 HIS 67 6.174 -0.524 8.481 504 HE1 HIS 67 HE1 HIS 67 6.422 1.724 4.892 505 HA PRO 68 HA PRO 68 5.252 5.019 13.022 506 HB2 PRO 68 2HB PRO 68 5.712 7.233 11.520 507 HB3 PRO 68 3HB PRO 68 7.010 6.204 12.137 508 HG2 PRO 68 2HG PRO 68 5.771 6.261 9.412 509 HG3 PRO 68 3HG PRO 68 7.481 6.131 9.861 510 HD2 PRO 68 2HD PRO 68 6.000 3.986 9.127 511 HD3 PRO 68 3HD PRO 68 7.322 3.875 10.306 512 H GLY 69 H GLY 69 4.186 7.505 12.580 513 HA2 GLY 69 2HA GLY 69 2.254 8.499 11.411 514 HA3 GLY 69 3HA GLY 69 1.513 6.907 11.470 515 H SER 70 H SER 70 0.203 9.158 12.410 516 HA SER 70 HA SER 70 0.390 8.938 15.334 517 HB2 SER 70 2HB SER 70 -0.868 11.041 13.562 518 HB3 SER 70 3HB SER 70 -1.043 11.014 15.316 519 HG SER 70 HG SER 70 0.721 12.185 15.172 520 H ARG 71 H ARG 71 -2.334 9.733 13.198 521 HA ARG 71 HA ARG 71 -3.955 7.778 14.680 522 HB2 ARG 71 2HB ARG 71 -4.545 10.399 13.397 523 HB3 ARG 71 3HB ARG 71 -5.819 9.186 13.394 524 HG2 ARG 71 2HG ARG 71 -6.184 9.368 15.608 525 HG3 ARG 71 3HG ARG 71 -4.477 9.625 15.977 526 HD2 ARG 71 2HD ARG 71 -6.314 11.676 14.745 527 HD3 ARG 71 3HD ARG 71 -5.882 11.603 16.453 528 HE ARG 71 HE ARG 71 -3.520 11.693 14.969 529 HH11 ARG 71 1HH1 ARG 71 -6.267 13.712 15.675 530 HH12 ARG 71 2HH1 ARG 71 -5.387 15.194 15.497 531 HH21 ARG 71 1HH2 ARG 71 -2.352 13.637 14.732 532 HH22 ARG 71 2HH2 ARG 71 -3.161 15.151 14.960 533 H ASP 72 H ASP 72 -2.137 7.334 12.310 534 HA ASP 72 HA ASP 72 -3.557 6.894 9.965 535 HB2 ASP 72 2HB ASP 72 -1.115 5.633 11.163 536 HB3 ASP 72 3HB ASP 72 -1.800 4.973 9.681 537 H LEU 73 H LEU 73 -3.576 5.122 12.939 538 HA LEU 73 HA LEU 73 -5.004 2.881 11.715 539 HB2 LEU 73 2HB LEU 73 -3.780 3.327 14.420 540 HB3 LEU 73 3HB LEU 73 -4.873 1.980 14.106 541 HG LEU 73 HG LEU 73 -2.709 2.120 12.170 542 HD11 LEU 73 1HD1 LEU 73 -1.027 2.623 13.536 543 HD12 LEU 73 2HD1 LEU 73 -1.320 1.067 14.312 544 HD13 LEU 73 3HD1 LEU 73 -2.055 2.531 14.966 545 HD21 LEU 73 3HD2 LEU 73 -4.148 0.191 12.417 546 HD22 LEU 73 1HD2 LEU 73 -3.673 0.018 14.107 547 HD23 LEU 73 2HD2 LEU 73 -2.489 -0.246 12.827 548 H ASP 74 H ASP 74 -5.519 5.694 13.650 549 HA ASP 74 HA ASP 74 -7.951 4.963 14.883 550 HB2 ASP 74 2HB ASP 74 -6.549 7.535 14.310 551 HB3 ASP 74 3HB ASP 74 -8.247 7.597 14.777 552 H THR 75 H THR 75 -7.165 6.159 11.702 553 HA THR 75 HA THR 75 -9.808 6.919 10.963 554 HB THR 75 HB THR 75 -7.467 6.182 9.196 555 HG1 THR 75 HG1 THR 75 -8.397 8.789 9.816 556 HG21 THR 75 3HG2 THR 75 -9.675 6.079 8.065 557 HG22 THR 75 1HG2 THR 75 -8.632 7.352 7.431 558 HG23 THR 75 2HG2 THR 75 -9.954 7.758 8.526 559 HA PRO 76 HA PRO 76 -11.515 2.894 10.288 560 HB2 PRO 76 2HB PRO 76 -13.712 3.674 8.897 561 HB3 PRO 76 3HB PRO 76 -13.560 3.880 10.646 562 HG2 PRO 76 2HG PRO 76 -13.126 5.877 8.459 563 HG3 PRO 76 3HG PRO 76 -13.957 6.081 10.012 564 HD2 PRO 76 2HD PRO 76 -11.421 6.932 9.594 565 HD3 PRO 76 3HD PRO 76 -11.985 6.353 11.174 566 H ILE 77 H ILE 77 -11.728 1.375 8.643 567 HA ILE 77 HA ILE 77 -10.352 2.045 6.176 568 HB ILE 77 HB ILE 77 -11.271 -0.556 7.376 569 HG12 ILE 77 2HG1 ILE 77 -8.525 -0.395 6.496 570 HG13 ILE 77 3HG1 ILE 77 -8.909 0.963 7.548 571 HG21 ILE 77 1HG2 ILE 77 -10.400 0.030 4.580 572 HG22 ILE 77 2HG2 ILE 77 -9.991 -1.516 5.323 573 HG23 ILE 77 3HG2 ILE 77 -11.680 -1.037 5.157 574 HD11 ILE 77 3HD1 ILE 77 -9.052 -0.331 9.369 575 HD12 ILE 77 1HD1 ILE 77 -9.845 -1.647 8.503 576 HD13 ILE 77 2HD1 ILE 77 -8.093 -1.458 8.410 577 H ILE 78 H ILE 78 -11.211 1.935 4.132 578 HA ILE 78 HA ILE 78 -14.089 2.211 3.960 579 HB ILE 78 HB ILE 78 -11.867 2.557 1.961 580 HG12 ILE 78 2HG1 ILE 78 -13.626 4.775 2.132 581 HG13 ILE 78 3HG1 ILE 78 -13.280 4.262 3.780 582 HG21 ILE 78 1HG2 ILE 78 -13.837 3.427 0.498 583 HG22 ILE 78 2HG2 ILE 78 -13.474 1.702 0.545 584 HG23 ILE 78 3HG2 ILE 78 -14.809 2.349 1.499 585 HD11 ILE 78 3HD1 ILE 78 -11.759 6.013 2.769 586 HD12 ILE 78 1HD1 ILE 78 -10.980 4.620 3.519 587 HD13 ILE 78 2HD1 ILE 78 -11.111 4.718 1.763 588 H VAL 79 H VAL 79 -15.085 0.266 4.139 589 HA VAL 79 HA VAL 79 -14.154 -2.172 3.107 590 HB VAL 79 HB VAL 79 -16.989 -1.329 3.725 591 HG11 VAL 79 1HG1 VAL 79 -17.341 -3.817 3.962 592 HG12 VAL 79 2HG1 VAL 79 -17.131 -3.226 2.312 593 HG13 VAL 79 3HG1 VAL 79 -15.796 -4.029 3.139 594 HG21 VAL 79 3HG2 VAL 79 -16.015 -1.221 5.780 595 HG22 VAL 79 1HG2 VAL 79 -16.339 -2.953 5.729 596 HG23 VAL 79 2HG2 VAL 79 -14.727 -2.347 5.352 597 H VAL 80 H VAL 80 -14.545 -3.275 1.227 598 HA VAL 80 HA VAL 80 -16.019 -1.846 -0.884 599 HB VAL 80 HB VAL 80 -13.480 -3.407 -1.356 600 HG11 VAL 80 1HG1 VAL 80 -13.585 -2.647 -3.576 601 HG12 VAL 80 2HG1 VAL 80 -15.231 -3.153 -3.192 602 HG13 VAL 80 3HG1 VAL 80 -14.812 -1.440 -3.194 603 HG21 VAL 80 3HG2 VAL 80 -12.480 -1.137 -1.792 604 HG22 VAL 80 1HG2 VAL 80 -13.909 -0.445 -1.024 605 HG23 VAL 80 2HG2 VAL 80 -12.833 -1.494 -0.101 606 H LYS 81 H LYS 81 -17.304 -3.067 -2.182 607 HA LYS 81 HA LYS 81 -17.585 -5.891 -1.442 608 HB2 LYS 81 2HB LYS 81 -19.434 -3.797 -2.448 609 HB3 LYS 81 3HB LYS 81 -19.740 -5.444 -2.984 610 HG2 LYS 81 2HG LYS 81 -19.638 -6.087 -0.520 611 HG3 LYS 81 3HG LYS 81 -19.752 -4.357 -0.190 612 HD2 LYS 81 2HD LYS 81 -21.806 -4.419 -1.748 613 HD3 LYS 81 3HD LYS 81 -21.757 -6.166 -1.498 614 HE2 LYS 81 2HE LYS 81 -23.156 -5.571 0.206 615 HE3 LYS 81 3HE LYS 81 -21.606 -5.443 1.037 616 HZ1 LYS 81 3HZ LYS 81 -23.364 -3.295 0.058 617 HZ2 LYS 81 1HZ LYS 81 -21.705 -3.009 0.229 618 HZ3 LYS 81 2HZ LYS 81 -22.627 -3.467 1.571 619 H GLN 82 H GLN 82 -18.233 -7.389 -3.234 620 HA GLN 82 HA GLN 82 -16.302 -7.193 -5.354 621 HB2 GLN 82 2HB GLN 82 -17.224 -9.301 -4.039 622 HB3 GLN 82 3HB GLN 82 -18.412 -9.301 -5.336 623 HG2 GLN 82 2HG GLN 82 -15.426 -9.527 -5.605 624 HG3 GLN 82 3HG GLN 82 -16.629 -10.777 -5.922 625 HE21 GLN 82 1HE2 GLN 82 -14.547 -9.021 -7.481 626 HE22 GLN 82 2HE2 GLN 82 -15.406 -8.646 -8.933 627 H GLY 83 H GLY 83 -16.661 -6.027 -7.120 628 HA2 GLY 83 2HA GLY 83 -17.988 -6.087 -9.228 629 HA3 GLY 83 3HA GLY 83 -19.411 -5.966 -8.203 630 H PHE 84 H PHE 84 -16.787 -4.137 -7.078 631 HA PHE 84 HA PHE 84 -17.646 -1.733 -8.512 632 HB2 PHE 84 2HB PHE 84 -17.316 -1.709 -5.516 633 HB3 PHE 84 3HB PHE 84 -18.019 -0.464 -6.544 634 HD1 PHE 84 HD1 PHE 84 -20.247 -0.822 -7.563 635 HD2 PHE 84 HD2 PHE 84 -18.612 -3.511 -4.697 636 HE1 PHE 84 HE1 PHE 84 -22.488 -1.761 -7.170 637 HE2 PHE 84 HE2 PHE 84 -20.849 -4.455 -4.301 638 HZ PHE 84 HZ PHE 84 -22.790 -3.581 -5.538 639 H GLU 85 H GLU 85 -15.845 -1.030 -9.446 640 HA GLU 85 HA GLU 85 -13.361 -1.021 -7.858 641 HB2 GLU 85 2HB GLU 85 -13.110 -2.592 -9.658 642 HB3 GLU 85 3HB GLU 85 -13.740 -1.437 -10.824 643 HG2 GLU 85 2HG GLU 85 -11.793 -0.060 -10.604 644 HG3 GLU 85 3HG GLU 85 -11.184 -1.058 -9.285 645 HA PRO 86 HA PRO 86 -14.316 3.385 -8.603 646 HB2 PRO 86 2HB PRO 86 -13.062 4.245 -6.353 647 HB3 PRO 86 3HB PRO 86 -14.722 3.637 -6.355 648 HG2 PRO 86 2HG PRO 86 -12.189 2.228 -5.606 649 HG3 PRO 86 3HG PRO 86 -13.766 2.202 -4.795 650 HD2 PRO 86 2HD PRO 86 -12.930 0.204 -6.421 651 HD3 PRO 86 3HD PRO 86 -14.640 0.661 -6.270 652 HA PRO 87 HA PRO 87 -10.427 4.344 -10.467 653 HB2 PRO 87 2HB PRO 87 -10.786 7.014 -10.799 654 HB3 PRO 87 3HB PRO 87 -11.600 5.804 -11.797 655 HG2 PRO 87 2HG PRO 87 -12.640 7.324 -9.437 656 HG3 PRO 87 3HG PRO 87 -13.443 6.959 -10.975 657 HD2 PRO 87 2HD PRO 87 -13.926 5.555 -8.711 658 HD3 PRO 87 3HD PRO 87 -13.994 4.818 -10.324 659 H THR 88 H THR 88 -11.486 5.664 -7.472 660 HA THR 88 HA THR 88 -9.180 7.260 -6.922 661 HB THR 88 HB THR 88 -10.081 7.652 -4.802 662 HG1 THR 88 HG1 THR 88 -10.370 5.661 -3.929 663 HG21 THR 88 3HG2 THR 88 -11.558 8.403 -6.674 664 HG22 THR 88 1HG2 THR 88 -12.405 8.146 -5.149 665 HG23 THR 88 2HG2 THR 88 -12.519 6.943 -6.435 666 H PHE 89 H PHE 89 -10.264 4.042 -5.861 667 HA PHE 89 HA PHE 89 -8.046 3.466 -4.239 668 HB2 PHE 89 2HB PHE 89 -9.702 1.954 -3.816 669 HB3 PHE 89 3HB PHE 89 -10.232 1.906 -5.494 670 HD1 PHE 89 HD1 PHE 89 -7.938 0.507 -3.020 671 HD2 PHE 89 HD2 PHE 89 -9.230 0.378 -7.074 672 HE1 PHE 89 HE1 PHE 89 -6.775 -1.641 -3.319 673 HE2 PHE 89 HE2 PHE 89 -8.070 -1.770 -7.379 674 HZ PHE 89 HZ PHE 89 -6.841 -2.783 -5.500 675 H THR 90 H THR 90 -8.696 2.700 -7.643 676 HA THR 90 HA THR 90 -6.491 1.169 -8.243 677 HB THR 90 HB THR 90 -7.266 3.243 -10.237 678 HG1 THR 90 HG1 THR 90 -8.991 1.176 -9.298 679 HG21 THR 90 3HG2 THR 90 -7.049 0.240 -10.442 680 HG22 THR 90 1HG2 THR 90 -5.713 1.352 -10.736 681 HG23 THR 90 2HG2 THR 90 -7.141 1.396 -11.770 682 H GLY 91 H GLY 91 -6.702 4.665 -7.892 683 HA2 GLY 91 2HA GLY 91 -4.272 5.429 -9.005 684 HA3 GLY 91 3HA GLY 91 -5.068 6.264 -7.679 685 H TRP 92 H TRP 92 -4.872 3.688 -6.083 686 HA TRP 92 HA TRP 92 -2.435 4.331 -4.761 687 HB2 TRP 92 2HB TRP 92 -4.291 1.966 -4.419 688 HB3 TRP 92 3HB TRP 92 -2.967 2.374 -3.331 689 HD1 TRP 92 HD1 TRP 92 -6.505 2.621 -3.340 690 HE1 TRP 92 HE1 TRP 92 -7.372 4.603 -1.945 691 HE3 TRP 92 HE3 TRP 92 -2.169 5.302 -2.957 692 HZ2 TRP 92 HZ2 TRP 92 -6.352 6.988 -0.831 693 HZ3 TRP 92 HZ3 TRP 92 -2.200 7.423 -1.711 694 HH2 TRP 92 HH2 TRP 92 -4.250 8.247 -0.670 695 H PHE 93 H PHE 93 -3.271 2.195 -7.319 696 HA PHE 93 HA PHE 93 -1.016 0.433 -6.975 697 HB2 PHE 93 2HB PHE 93 -3.197 0.730 -9.003 698 HB3 PHE 93 3HB PHE 93 -1.764 -0.207 -9.415 699 HD1 PHE 93 HD2 PHE 93 -3.814 0.106 -6.312 700 HD2 PHE 93 HD1 PHE 93 -2.227 -2.449 -9.324 701 HE1 PHE 93 HE2 PHE 93 -4.762 -1.846 -5.152 702 HE2 PHE 93 HE1 PHE 93 -3.173 -4.404 -8.169 703 HZ PHE 93 HZ PHE 93 -4.442 -4.104 -6.079 704 H MET 94 H MET 94 0.416 0.084 -8.999 705 HA MET 94 HA MET 94 1.800 2.565 -9.461 706 HB2 MET 94 2HB MET 94 2.503 0.027 -10.879 707 HB3 MET 94 3HB MET 94 3.562 1.283 -10.252 708 HG2 MET 94 2HG MET 94 2.483 0.395 -7.957 709 HG3 MET 94 3HG MET 94 2.425 -1.080 -8.920 710 HE1 MET 94 3HE MET 94 4.246 -2.319 -9.824 711 HE2 MET 94 1HE MET 94 5.188 -1.105 -10.690 712 HE3 MET 94 2HE MET 94 5.965 -2.124 -9.478 713 H ALA 95 H ALA 95 -0.650 0.828 -11.040 714 HA ALA 95 HA ALA 95 -0.103 2.202 -13.586 715 HB1 ALA 95 1HB ALA 95 -1.062 0.476 -14.737 716 HB2 ALA 95 2HB ALA 95 -0.415 -0.403 -13.351 717 HB3 ALA 95 3HB ALA 95 -2.124 0.028 -13.402 718 H TRP 96 H TRP 96 -1.175 4.065 -13.698 719 HA TRP 96 HA TRP 96 -3.387 4.807 -12.183 720 HB2 TRP 96 2HB TRP 96 -2.089 5.842 -14.655 721 HB3 TRP 96 3HB TRP 96 -3.701 6.440 -14.272 722 HD1 TRP 96 HD1 TRP 96 -0.282 7.408 -13.779 723 HE1 TRP 96 HE1 TRP 96 0.008 8.949 -11.738 724 HE3 TRP 96 HE3 TRP 96 -4.769 6.562 -11.479 725 HZ2 TRP 96 HZ2 TRP 96 -1.469 9.706 -9.454 726 HZ3 TRP 96 HZ3 TRP 96 -5.252 7.733 -9.369 727 HH2 TRP 96 HH2 TRP 96 -3.635 9.272 -8.380 728 H ASP 97 H ASP 97 -5.581 5.327 -12.970 729 HA ASP 97 HA ASP 97 -6.548 3.248 -14.822 730 HB2 ASP 97 2HB ASP 97 -7.211 3.333 -12.255 731 HB3 ASP 97 3HB ASP 97 -8.377 4.520 -12.835 732 HA PRO 98 HA PRO 98 -7.932 6.505 -17.453 733 HB2 PRO 98 2HB PRO 98 -9.693 5.075 -18.945 734 HB3 PRO 98 3HB PRO 98 -7.941 4.932 -19.128 735 HG2 PRO 98 2HG PRO 98 -9.840 3.164 -17.636 736 HG3 PRO 98 3HG PRO 98 -8.485 2.715 -18.688 737 HD2 PRO 98 2HD PRO 98 -8.301 2.696 -15.987 738 HD3 PRO 98 3HD PRO 98 -6.919 3.074 -17.035 739 H LEU 99 H LEU 99 -9.876 4.891 -15.182 740 HA LEU 99 HA LEU 99 -12.293 6.381 -15.814 741 HB2 LEU 99 2HB LEU 99 -11.602 4.298 -13.766 742 HB3 LEU 99 3HB LEU 99 -13.116 5.198 -13.700 743 HG LEU 99 HG LEU 99 -12.249 3.469 -16.016 744 HD11 LEU 99 1HD1 LEU 99 -14.349 2.180 -15.001 745 HD12 LEU 99 2HD1 LEU 99 -13.708 2.872 -13.512 746 HD13 LEU 99 3HD1 LEU 99 -12.691 1.834 -14.511 747 HD21 LEU 99 3HD2 LEU 99 -13.857 4.555 -17.101 748 HD22 LEU 99 1HD2 LEU 99 -14.358 5.406 -15.640 749 HD23 LEU 99 2HD2 LEU 99 -15.009 3.806 -15.995 750 H CYS 100 H CYS 100 -9.573 7.387 -14.608 751 HA CYS 100 HA CYS 100 -10.222 8.459 -12.064 752 HB2 CYS 100 2HB CYS 100 -8.045 8.835 -14.055 753 HB3 CYS 100 3HB CYS 100 -8.272 10.110 -12.864 754 HG CYS 100 HG CYS 100 -7.271 8.874 -10.814 755 H TRP 101 H TRP 101 -11.166 9.306 -15.206 756 HA TRP 101 HA TRP 101 -11.659 12.102 -14.552 757 HB2 TRP 101 2HB TRP 101 -11.685 10.464 -17.035 758 HB3 TRP 101 3HB TRP 101 -12.755 11.863 -16.982 759 HD1 TRP 101 HD1 TRP 101 -9.118 11.558 -15.658 760 HE1 TRP 101 HE1 TRP 101 -7.719 13.417 -16.760 761 HE3 TRP 101 HE3 TRP 101 -12.685 13.540 -18.738 762 HZ2 TRP 101 HZ2 TRP 101 -8.080 15.454 -18.681 763 HZ3 TRP 101 HZ3 TRP 101 -12.077 15.442 -20.176 764 HH2 TRP 101 HH2 TRP 101 -9.822 16.378 -20.145 765 H SER 102 H SER 102 -13.105 9.548 -13.502 766 HA SER 102 HA SER 102 -15.795 9.756 -14.381 767 HB2 SER 102 2HB SER 102 -16.310 8.167 -12.722 768 HB3 SER 102 3HB SER 102 -14.645 7.792 -13.165 769 HG SER 102 HG SER 102 -15.517 8.258 -10.777 770 H ASP 103 H ASP 103 -13.916 11.751 -12.436 771 HA ASP 103 HA ASP 103 -16.228 12.799 -10.966 772 HB2 ASP 103 2HB ASP 103 -13.305 13.507 -10.646 773 HB3 ASP 103 3HB ASP 103 -14.625 13.989 -9.584 774 H ARG 104 H ARG 104 -14.007 13.546 -13.520 775 HA ARG 104 HA ARG 104 -14.218 16.320 -13.634 776 HB2 ARG 104 2HB ARG 104 -13.603 14.172 -15.599 777 HB3 ARG 104 3HB ARG 104 -13.986 15.766 -16.235 778 HG2 ARG 104 2HG ARG 104 -12.009 15.651 -14.042 779 HG3 ARG 104 3HG ARG 104 -11.512 15.004 -15.606 780 HD2 ARG 104 2HD ARG 104 -12.591 17.272 -16.459 781 HD3 ARG 104 3HD ARG 104 -12.190 17.788 -14.821 782 HE ARG 104 HE ARG 104 -10.352 17.237 -16.971 783 HH11 ARG 104 1HH1 ARG 104 -10.759 17.514 -13.524 784 HH12 ARG 104 2HH1 ARG 104 -9.085 17.842 -13.222 785 HH21 ARG 104 1HH2 ARG 104 -8.146 17.668 -16.585 786 HH22 ARG 104 2HH2 ARG 104 -7.600 17.931 -14.964 787 H LYS 105 H LYS 105 -16.501 13.857 -14.472 788 HA LYS 105 HA LYS 105 -18.178 15.623 -16.033 789 HB2 LYS 105 2HB LYS 105 -18.759 12.847 -14.985 790 HB3 LYS 105 3HB LYS 105 -19.689 13.715 -16.199 791 HG2 LYS 105 2HG LYS 105 -16.788 13.166 -16.647 792 HG3 LYS 105 3HG LYS 105 -17.990 11.905 -16.932 793 HD2 LYS 105 2HD LYS 105 -18.970 14.262 -18.137 794 HD3 LYS 105 3HD LYS 105 -17.270 14.121 -18.594 795 HE2 LYS 105 2HE LYS 105 -18.594 12.976 -20.231 796 HE3 LYS 105 3HE LYS 105 -17.716 11.774 -19.287 797 HZ1 LYS 105 3HZ LYS 105 -20.262 11.517 -19.790 798 HZ2 LYS 105 1HZ LYS 105 -20.417 12.501 -18.423 799 HZ3 LYS 105 2HZ LYS 105 -19.611 11.019 -18.311 800 H SER 106 H SER 106 -17.788 14.756 -12.742 801 HA SER 106 HA SER 106 -20.465 15.711 -12.035 802 HB2 SER 106 2HB SER 106 -20.258 14.583 -10.029 803 HB3 SER 106 3HB SER 106 -19.238 13.580 -11.061 804 HG SER 106 HG SER 106 -17.940 13.972 -9.391 805 H TYR 107 H TYR 107 -20.545 17.105 -10.007 806 HA TYR 107 HA TYR 107 -18.443 19.165 -10.168 807 HB2 TYR 107 2HB TYR 107 -20.149 20.828 -9.624 808 HB3 TYR 107 3HB TYR 107 -20.598 19.938 -11.075 809 HD1 TYR 107 HD1 TYR 107 -21.359 20.467 -7.516 810 HD2 TYR 107 HD2 TYR 107 -22.535 18.511 -11.107 811 HE1 TYR 107 HE1 TYR 107 -23.529 19.919 -6.499 812 HE2 TYR 107 HE2 TYR 107 -24.710 17.958 -10.100 813 HH TYR 107 HH TYR 107 -25.415 18.713 -6.720 Start of MODEL 3 1 HA PRO 1 HA PRO 1 1.019 0.252 -2.607 2 HB2 PRO 1 2HB PRO 1 3.666 -0.251 -2.272 3 HB3 PRO 1 3HB PRO 1 2.958 1.354 -2.054 4 HG2 PRO 1 2HG PRO 1 3.687 -0.691 0.007 5 HG3 PRO 1 3HG PRO 1 3.951 1.062 0.029 6 HD2 PRO 1 2HD PRO 1 1.921 -0.122 1.374 7 HD3 PRO 1 3HD PRO 1 1.786 1.507 0.681 8 H ARG 2 H ARG 2 1.933 -2.212 -0.250 9 HA ARG 2 HA ARG 2 2.158 -4.197 -2.397 10 HB2 ARG 2 2HB ARG 2 2.782 -4.656 0.514 11 HB3 ARG 2 3HB ARG 2 3.337 -5.577 -0.878 12 HG2 ARG 2 2HG ARG 2 4.130 -2.738 -0.265 13 HG3 ARG 2 3HG ARG 2 5.094 -4.168 0.113 14 HD2 ARG 2 2HD ARG 2 5.095 -4.731 -2.309 15 HD3 ARG 2 3HD ARG 2 4.270 -3.204 -2.622 16 HE ARG 2 HE ARG 2 6.262 -2.110 -2.344 17 HH11 ARG 2 1HH1 ARG 2 6.544 -5.341 -1.078 18 HH12 ARG 2 2HH1 ARG 2 8.254 -5.231 -0.820 19 HH21 ARG 2 1HH2 ARG 2 8.513 -1.953 -2.010 20 HH22 ARG 2 2HH2 ARG 2 9.373 -3.303 -1.350 21 H LEU 3 H LEU 3 0.814 -5.936 -2.553 22 HA LEU 3 HA LEU 3 -1.689 -5.764 -1.103 23 HB2 LEU 3 2HB LEU 3 -0.699 -7.178 -3.512 24 HB3 LEU 3 3HB LEU 3 -2.038 -7.918 -2.636 25 HG LEU 3 HG LEU 3 -2.023 -5.144 -3.827 26 HD11 LEU 3 1HD1 LEU 3 -2.148 -7.306 -5.302 27 HD12 LEU 3 2HD1 LEU 3 -3.231 -5.947 -5.601 28 HD13 LEU 3 3HD1 LEU 3 -3.809 -7.357 -4.713 29 HD21 LEU 3 3HD2 LEU 3 -4.602 -6.212 -3.143 30 HD22 LEU 3 1HD2 LEU 3 -3.847 -4.698 -2.643 31 HD23 LEU 3 2HD2 LEU 3 -3.555 -6.175 -1.723 32 H PHE 4 H PHE 4 -2.678 -8.046 -0.568 33 HA PHE 4 HA PHE 4 -0.764 -9.908 0.548 34 HB2 PHE 4 2HB PHE 4 -2.633 -8.318 2.314 35 HB3 PHE 4 3HB PHE 4 -1.774 -9.764 2.835 36 HD1 PHE 4 HD1 PHE 4 0.704 -9.741 2.965 37 HD2 PHE 4 HD2 PHE 4 -1.560 -6.217 2.207 38 HE1 PHE 4 HE1 PHE 4 2.648 -8.363 3.580 39 HE2 PHE 4 HE2 PHE 4 0.380 -4.834 2.820 40 HZ PHE 4 HZ PHE 4 2.488 -5.907 3.507 41 H GLU 5 H GLU 5 -1.625 -11.574 -0.595 42 HA GLU 5 HA GLU 5 -4.496 -12.027 -0.584 43 HB2 GLU 5 2HB GLU 5 -2.179 -13.057 -2.111 44 HB3 GLU 5 3HB GLU 5 -3.500 -14.190 -1.859 45 HG2 GLU 5 2HG GLU 5 -4.929 -13.043 -3.191 46 HG3 GLU 5 3HG GLU 5 -4.213 -11.480 -2.804 47 H CYS 6 H CYS 6 -5.337 -12.944 1.169 48 HA CYS 6 HA CYS 6 -3.958 -15.282 2.309 49 HB2 CYS 6 2HB CYS 6 -5.633 -13.459 4.008 50 HB3 CYS 6 3HB CYS 6 -4.392 -14.603 4.505 51 HG CYS 6 HG CYS 6 -3.910 -11.543 3.060 52 H SER 7 H SER 7 -5.138 -16.996 1.775 53 HA SER 7 HA SER 7 -8.017 -16.930 2.322 54 HB2 SER 7 2HB SER 7 -7.279 -16.654 -0.212 55 HB3 SER 7 3HB SER 7 -7.100 -18.405 -0.109 56 HG SER 7 HG SER 7 -9.181 -18.550 -0.234 57 H ASN 8 H ASN 8 -8.966 -19.029 2.654 58 HA ASN 8 HA ASN 8 -7.055 -20.892 3.831 59 HB2 ASN 8 2HB ASN 8 -9.151 -21.991 4.727 60 HB3 ASN 8 3HB ASN 8 -8.871 -20.341 5.277 61 HD21 ASN 8 1HD2 ASN 8 -10.746 -19.365 5.485 62 HD22 ASN 8 2HD2 ASN 8 -12.050 -19.414 4.352 63 H LYS 9 H LYS 9 -6.781 -22.987 3.189 64 HA LYS 9 HA LYS 9 -7.427 -23.617 0.480 65 HB2 LYS 9 2HB LYS 9 -6.099 -25.168 2.698 66 HB3 LYS 9 3HB LYS 9 -6.380 -25.859 1.105 67 HG2 LYS 9 2HG LYS 9 -4.786 -24.577 0.111 68 HG3 LYS 9 3HG LYS 9 -4.993 -23.241 1.247 69 HD2 LYS 9 2HD LYS 9 -3.989 -24.849 2.990 70 HD3 LYS 9 3HD LYS 9 -3.456 -25.795 1.598 71 HE2 LYS 9 2HE LYS 9 -2.888 -22.889 1.549 72 HE3 LYS 9 3HE LYS 9 -1.975 -23.860 2.703 73 HZ1 LYS 9 3HZ LYS 9 -1.761 -25.349 0.504 74 HZ2 LYS 9 1HZ LYS 9 -0.634 -24.167 0.946 75 HZ3 LYS 9 2HZ LYS 9 -1.834 -23.809 -0.192 76 H THR 10 H THR 10 -8.256 -25.227 3.555 77 HA THR 10 HA THR 10 -10.828 -26.002 2.367 78 HB THR 10 HB THR 10 -10.694 -28.245 3.189 79 HG1 THR 10 HG1 THR 10 -9.424 -28.703 4.810 80 HG21 THR 10 3HG2 THR 10 -8.966 -29.161 1.828 81 HG22 THR 10 1HG2 THR 10 -8.006 -27.686 1.942 82 HG23 THR 10 2HG2 THR 10 -9.517 -27.688 1.031 83 H GLY 11 H GLY 11 -8.967 -26.166 5.414 84 HA2 GLY 11 2HA GLY 11 -11.301 -24.995 6.778 85 HA3 GLY 11 3HA GLY 11 -10.537 -26.439 7.425 86 H ARG 12 H ARG 12 -8.146 -24.625 6.057 87 HA ARG 12 HA ARG 12 -7.615 -23.183 8.570 88 HB2 ARG 12 2HB ARG 12 -5.601 -24.618 6.829 89 HB3 ARG 12 3HB ARG 12 -5.221 -23.669 8.260 90 HG2 ARG 12 2HG ARG 12 -7.120 -25.958 8.475 91 HG3 ARG 12 3HG ARG 12 -5.383 -26.259 8.407 92 HD2 ARG 12 2HD ARG 12 -5.601 -24.216 10.242 93 HD3 ARG 12 3HD ARG 12 -7.020 -25.209 10.575 94 HE ARG 12 HE ARG 12 -4.977 -27.001 10.406 95 HH11 ARG 12 1HH1 ARG 12 -5.554 -24.121 12.275 96 HH12 ARG 12 2HH1 ARG 12 -4.620 -24.658 13.632 97 HH21 ARG 12 1HH2 ARG 12 -3.746 -27.719 12.187 98 HH22 ARG 12 2HH2 ARG 12 -3.592 -26.704 13.581 99 H PHE 13 H PHE 13 -6.948 -21.109 8.402 100 HA PHE 13 HA PHE 13 -7.073 -19.881 5.785 101 HB2 PHE 13 2HB PHE 13 -8.163 -18.531 7.307 102 HB3 PHE 13 3HB PHE 13 -7.031 -18.899 8.604 103 HD1 PHE 13 HD2 PHE 13 -4.909 -17.716 8.776 104 HD2 PHE 13 HD1 PHE 13 -7.741 -16.760 5.746 105 HE1 PHE 13 HE2 PHE 13 -3.732 -15.598 8.350 106 HE2 PHE 13 HE1 PHE 13 -6.569 -14.640 5.314 107 HZ PHE 13 HZ PHE 13 -4.562 -14.056 6.617 108 H LEU 14 H LEU 14 -5.419 -18.911 4.693 109 HA LEU 14 HA LEU 14 -2.722 -19.214 5.841 110 HB2 LEU 14 2HB LEU 14 -3.810 -19.911 3.173 111 HB3 LEU 14 3HB LEU 14 -2.176 -19.252 3.233 112 HG LEU 14 HG LEU 14 -2.122 -21.676 3.186 113 HD11 LEU 14 1HD1 LEU 14 -0.440 -20.380 4.500 114 HD12 LEU 14 2HD1 LEU 14 -0.662 -22.046 5.034 115 HD13 LEU 14 3HD1 LEU 14 -1.389 -20.723 5.947 116 HD21 LEU 14 3HD2 LEU 14 -4.359 -21.990 4.250 117 HD22 LEU 14 1HD2 LEU 14 -3.612 -21.621 5.805 118 HD23 LEU 14 2HD2 LEU 14 -3.094 -23.039 4.892 119 H ALA 15 H ALA 15 -1.459 -17.455 5.870 120 HA ALA 15 HA ALA 15 -2.469 -15.036 4.529 121 HB1 ALA 15 1HB ALA 15 -1.663 -13.740 6.262 122 HB2 ALA 15 2HB ALA 15 -2.194 -15.194 7.108 123 HB3 ALA 15 3HB ALA 15 -0.482 -14.952 6.760 124 H THR 16 H THR 16 -1.365 -14.362 2.823 125 HA THR 16 HA THR 16 1.546 -14.709 2.766 126 HB THR 16 HB THR 16 -0.204 -15.325 0.380 127 HG1 THR 16 HG1 THR 16 -0.175 -17.366 0.994 128 HG21 THR 16 3HG2 THR 16 2.449 -16.425 0.322 129 HG22 THR 16 1HG2 THR 16 2.527 -14.685 0.599 130 HG23 THR 16 2HG2 THR 16 1.679 -15.316 -0.813 131 H GLU 17 H GLU 17 2.640 -13.004 1.950 132 HA GLU 17 HA GLU 17 1.094 -10.646 1.249 133 HB2 GLU 17 2HB GLU 17 2.821 -10.190 2.790 134 HB3 GLU 17 3HB GLU 17 3.995 -11.132 1.882 135 HG2 GLU 17 2HG GLU 17 4.006 -9.465 0.120 136 HG3 GLU 17 3HG GLU 17 2.778 -8.533 0.974 137 H ILE 18 H ILE 18 1.299 -9.491 -0.670 138 HA ILE 18 HA ILE 18 2.704 -10.863 -2.863 139 HB ILE 18 HB ILE 18 -0.019 -9.573 -3.069 140 HG12 ILE 18 2HG1 ILE 18 -0.113 -11.713 -1.880 141 HG13 ILE 18 3HG1 ILE 18 -0.840 -11.857 -3.477 142 HG21 ILE 18 1HG2 ILE 18 1.969 -10.160 -5.028 143 HG22 ILE 18 2HG2 ILE 18 0.573 -11.204 -5.293 144 HG23 ILE 18 3HG2 ILE 18 0.369 -9.453 -5.250 145 HD11 ILE 18 3HD1 ILE 18 1.849 -12.530 -3.812 146 HD12 ILE 18 1HD1 ILE 18 1.334 -13.322 -2.324 147 HD13 ILE 18 2HD1 ILE 18 0.456 -13.611 -3.826 148 H VAL 19 H VAL 19 4.238 -9.575 -3.620 149 HA VAL 19 HA VAL 19 4.695 -6.945 -3.043 150 HB VAL 19 HB VAL 19 5.356 -8.225 -5.697 151 HG11 VAL 19 1HG1 VAL 19 5.923 -6.009 -5.961 152 HG12 VAL 19 2HG1 VAL 19 6.312 -5.794 -4.253 153 HG13 VAL 19 3HG1 VAL 19 7.419 -6.674 -5.307 154 HG21 VAL 19 3HG2 VAL 19 7.612 -8.485 -4.268 155 HG22 VAL 19 1HG2 VAL 19 6.423 -8.644 -2.975 156 HG23 VAL 19 2HG2 VAL 19 6.375 -9.739 -4.357 157 H ASP 20 H ASP 20 4.349 -4.963 -4.101 158 HA ASP 20 HA ASP 20 1.826 -4.323 -4.884 159 HB2 ASP 20 2HB ASP 20 3.523 -2.637 -4.389 160 HB3 ASP 20 3HB ASP 20 4.383 -3.043 -5.871 161 H PHE 21 H PHE 21 0.802 -5.682 -6.291 162 HA PHE 21 HA PHE 21 1.938 -5.916 -8.996 163 HB2 PHE 21 2HB PHE 21 0.305 -7.741 -7.307 164 HB3 PHE 21 3HB PHE 21 0.007 -7.767 -9.042 165 HD1 PHE 21 HD1 PHE 21 3.299 -7.078 -7.564 166 HD2 PHE 21 HD2 PHE 21 0.796 -9.986 -9.408 167 HE1 PHE 21 HE1 PHE 21 5.244 -8.553 -7.871 168 HE2 PHE 21 HE2 PHE 21 2.737 -11.465 -9.717 169 HZ PHE 21 HZ PHE 21 4.965 -10.750 -8.948 170 H THR 22 H THR 22 0.051 -6.310 -10.658 171 HA THR 22 HA THR 22 -1.677 -3.963 -10.441 172 HB THR 22 HB THR 22 -1.959 -4.059 -12.797 173 HG1 THR 22 HG1 THR 22 -0.520 -6.478 -13.008 174 HG21 THR 22 3HG2 THR 22 0.203 -3.190 -12.164 175 HG22 THR 22 1HG2 THR 22 0.377 -4.137 -13.640 176 HG23 THR 22 2HG2 THR 22 0.877 -4.817 -12.091 177 H GLN 23 H GLN 23 -3.802 -4.434 -11.919 178 HA GLN 23 HA GLN 23 -5.417 -6.111 -10.289 179 HB2 GLN 23 2HB GLN 23 -6.064 -4.816 -12.943 180 HB3 GLN 23 3HB GLN 23 -7.234 -5.510 -11.828 181 HG2 GLN 23 2HG GLN 23 -5.449 -3.155 -11.255 182 HG3 GLN 23 3HG GLN 23 -7.158 -3.076 -11.680 183 HE21 GLN 23 1HE2 GLN 23 -5.986 -2.032 -9.323 184 HE22 GLN 23 2HE2 GLN 23 -6.668 -2.874 -7.978 185 H ASP 24 H ASP 24 -3.548 -6.653 -13.101 186 HA ASP 24 HA ASP 24 -4.940 -8.704 -14.370 187 HB2 ASP 24 2HB ASP 24 -1.971 -8.218 -14.094 188 HB3 ASP 24 3HB ASP 24 -2.653 -9.466 -15.134 189 H ASP 25 H ASP 25 -2.547 -8.899 -11.750 190 HA ASP 25 HA ASP 25 -2.854 -11.747 -11.489 191 HB2 ASP 25 2HB ASP 25 -1.240 -9.630 -10.164 192 HB3 ASP 25 3HB ASP 25 -1.552 -11.097 -9.240 193 H LEU 26 H LEU 26 -4.665 -9.114 -10.509 194 HA LEU 26 HA LEU 26 -5.488 -9.826 -7.925 195 HB2 LEU 26 2HB LEU 26 -5.925 -7.692 -9.363 196 HB3 LEU 26 3HB LEU 26 -7.369 -8.564 -9.873 197 HG LEU 26 HG LEU 26 -7.824 -6.973 -8.060 198 HD11 LEU 26 1HD1 LEU 26 -9.204 -8.970 -8.293 199 HD12 LEU 26 2HD1 LEU 26 -9.032 -8.509 -6.600 200 HD13 LEU 26 3HD1 LEU 26 -8.103 -9.863 -7.244 201 HD21 LEU 26 3HD2 LEU 26 -6.396 -6.728 -6.382 202 HD22 LEU 26 1HD2 LEU 26 -5.435 -8.082 -6.977 203 HD23 LEU 26 2HD2 LEU 26 -6.755 -8.369 -5.843 204 H ASP 27 H ASP 27 -6.080 -11.891 -7.550 205 HA ASP 27 HA ASP 27 -7.372 -13.649 -9.235 206 HB2 ASP 27 2HB ASP 27 -7.136 -13.418 -6.271 207 HB3 ASP 27 3HB ASP 27 -8.298 -14.571 -6.921 208 H GLU 28 H GLU 28 -9.626 -14.569 -8.862 209 HA GLU 28 HA GLU 28 -11.528 -12.576 -9.485 210 HB2 GLU 28 2HB GLU 28 -11.958 -15.453 -8.661 211 HB3 GLU 28 3HB GLU 28 -13.178 -14.411 -9.378 212 HG2 GLU 28 2HG GLU 28 -12.429 -14.774 -11.438 213 HG3 GLU 28 3HG GLU 28 -10.750 -14.526 -10.962 214 H ASN 29 H ASN 29 -11.581 -14.829 -6.718 215 HA ASN 29 HA ASN 29 -12.707 -12.650 -5.088 216 HB2 ASN 29 2HB ASN 29 -13.517 -15.566 -5.056 217 HB3 ASN 29 3HB ASN 29 -14.092 -14.346 -3.922 218 HD21 ASN 29 1HD2 ASN 29 -14.257 -15.557 -7.161 219 HD22 ASN 29 2HD2 ASN 29 -15.626 -14.629 -7.659 220 H ASP 30 H ASP 30 -10.948 -12.116 -3.902 221 HA ASP 30 HA ASP 30 -9.997 -14.096 -1.995 222 HB2 ASP 30 2HB ASP 30 -8.330 -12.915 -4.157 223 HB3 ASP 30 3HB ASP 30 -7.596 -13.061 -2.563 224 H VAL 31 H VAL 31 -8.510 -13.040 -0.354 225 HA VAL 31 HA VAL 31 -9.613 -10.404 0.304 226 HB VAL 31 HB VAL 31 -8.104 -12.320 2.087 227 HG11 VAL 31 1HG1 VAL 31 -9.607 -9.772 2.667 228 HG12 VAL 31 2HG1 VAL 31 -9.046 -10.899 3.903 229 HG13 VAL 31 3HG1 VAL 31 -7.880 -10.065 2.874 230 HG21 VAL 31 3HG2 VAL 31 -10.816 -12.003 2.862 231 HG22 VAL 31 1HG2 VAL 31 -10.783 -12.417 1.148 232 HG23 VAL 31 2HG2 VAL 31 -9.992 -13.467 2.323 233 H TYR 32 H TYR 32 -8.391 -8.794 -0.453 234 HA TYR 32 HA TYR 32 -5.465 -9.026 -0.222 235 HB2 TYR 32 2HB TYR 32 -6.715 -6.891 -1.883 236 HB3 TYR 32 3HB TYR 32 -5.218 -7.780 -2.138 237 HD1 TYR 32 HD2 TYR 32 -8.873 -7.873 -2.542 238 HD2 TYR 32 HD1 TYR 32 -5.194 -9.848 -3.359 239 HE1 TYR 32 HE2 TYR 32 -10.019 -9.325 -4.163 240 HE2 TYR 32 HE1 TYR 32 -6.330 -11.305 -4.983 241 HH TYR 32 HH TYR 32 -8.229 -11.719 -6.072 242 H LEU 33 H LEU 33 -4.284 -7.059 0.329 243 HA LEU 33 HA LEU 33 -5.840 -5.119 1.888 244 HB2 LEU 33 2HB LEU 33 -3.412 -6.641 2.807 245 HB3 LEU 33 3HB LEU 33 -3.993 -5.178 3.600 246 HG LEU 33 HG LEU 33 -4.777 -6.991 4.890 247 HD11 LEU 33 1HD1 LEU 33 -6.892 -6.288 5.083 248 HD12 LEU 33 2HD1 LEU 33 -7.286 -6.702 3.415 249 HD13 LEU 33 3HD1 LEU 33 -6.482 -5.175 3.778 250 HD21 LEU 33 3HD2 LEU 33 -5.281 -9.021 4.106 251 HD22 LEU 33 1HD2 LEU 33 -4.610 -8.456 2.575 252 HD23 LEU 33 2HD2 LEU 33 -6.349 -8.374 2.860 253 H LEU 34 H LEU 34 -5.489 -3.231 0.926 254 HA LEU 34 HA LEU 34 -2.776 -2.631 -0.049 255 HB2 LEU 34 2HB LEU 34 -4.362 -2.625 -1.842 256 HB3 LEU 34 3HB LEU 34 -5.463 -1.594 -0.930 257 HG LEU 34 HG LEU 34 -3.532 0.136 -1.037 258 HD11 LEU 34 1HD1 LEU 34 -2.841 -1.479 -3.477 259 HD12 LEU 34 2HD1 LEU 34 -1.934 -1.579 -1.968 260 HD13 LEU 34 3HD1 LEU 34 -2.021 -0.051 -2.845 261 HD21 LEU 34 3HD2 LEU 34 -5.827 -0.197 -2.424 262 HD22 LEU 34 1HD2 LEU 34 -4.649 -0.203 -3.737 263 HD23 LEU 34 2HD2 LEU 34 -4.733 1.171 -2.635 264 H ASP 35 H ASP 35 -1.825 -1.665 1.675 265 HA ASP 35 HA ASP 35 -3.238 0.344 3.215 266 HB2 ASP 35 2HB ASP 35 -0.311 -0.190 3.534 267 HB3 ASP 35 3HB ASP 35 -1.515 0.205 4.757 268 H THR 36 H THR 36 -3.424 2.327 2.420 269 HA THR 36 HA THR 36 -1.238 3.418 0.784 270 HB THR 36 HB THR 36 -2.740 4.687 -0.393 271 HG1 THR 36 HG1 THR 36 -3.829 5.944 0.948 272 HG21 THR 36 3HG2 THR 36 -3.350 2.319 -0.688 273 HG22 THR 36 1HG2 THR 36 -4.740 3.387 -0.880 274 HG23 THR 36 2HG2 THR 36 -4.531 2.473 0.613 275 H TRP 37 H TRP 37 -1.383 6.007 0.943 276 HA TRP 37 HA TRP 37 -0.362 6.646 3.502 277 HB2 TRP 37 2HB TRP 37 0.259 7.766 1.330 278 HB3 TRP 37 3HB TRP 37 -1.289 8.603 1.395 279 HD1 TRP 37 HD1 TRP 37 -0.352 8.539 4.845 280 HE1 TRP 37 HE1 TRP 37 0.899 10.672 5.560 281 HE3 TRP 37 HE3 TRP 37 0.855 10.361 0.223 282 HZ2 TRP 37 HZ2 TRP 37 2.222 12.840 4.328 283 HZ3 TRP 37 HZ3 TRP 37 2.113 12.470 0.079 284 HH2 TRP 37 HH2 TRP 37 2.781 13.683 2.090 285 H ASP 38 H ASP 38 -3.330 7.735 1.849 286 HA ASP 38 HA ASP 38 -4.392 9.149 4.025 287 HB2 ASP 38 2HB ASP 38 -5.751 7.833 1.669 288 HB3 ASP 38 3HB ASP 38 -6.587 8.870 2.821 289 H GLN 39 H GLN 39 -4.952 5.812 2.945 290 HA GLN 39 HA GLN 39 -5.254 4.784 5.535 291 HB2 GLN 39 2HB GLN 39 -7.422 6.205 5.121 292 HB3 GLN 39 3HB GLN 39 -7.916 4.813 4.167 293 HG2 GLN 39 2HG GLN 39 -8.744 4.775 6.495 294 HG3 GLN 39 3HG GLN 39 -7.767 3.372 6.065 295 HE21 GLN 39 1HE2 GLN 39 -6.762 6.638 6.958 296 HE22 GLN 39 2HE2 GLN 39 -5.859 6.171 8.355 297 H ILE 40 H ILE 40 -6.058 2.510 5.518 298 HA ILE 40 HA ILE 40 -5.053 1.175 3.155 299 HB ILE 40 HB ILE 40 -6.162 -0.050 5.683 300 HG12 ILE 40 2HG1 ILE 40 -3.478 -0.408 5.831 301 HG13 ILE 40 3HG1 ILE 40 -3.542 1.156 5.027 302 HG21 ILE 40 1HG2 ILE 40 -6.144 -1.611 3.846 303 HG22 ILE 40 2HG2 ILE 40 -4.477 -1.189 3.459 304 HG23 ILE 40 3HG2 ILE 40 -4.849 -2.021 4.969 305 HD11 ILE 40 3HD1 ILE 40 -3.759 2.067 7.029 306 HD12 ILE 40 1HD1 ILE 40 -5.368 1.352 7.112 307 HD13 ILE 40 2HD1 ILE 40 -3.985 0.491 7.788 308 H PHE 41 H PHE 41 -6.245 0.357 1.565 309 HA PHE 41 HA PHE 41 -9.148 0.451 1.795 310 HB2 PHE 41 2HB PHE 41 -7.196 0.381 -0.446 311 HB3 PHE 41 3HB PHE 41 -8.777 -0.337 -0.738 312 HD1 PHE 41 HD1 PHE 41 -7.510 2.727 0.983 313 HD2 PHE 41 HD2 PHE 41 -10.215 1.052 -1.844 314 HE1 PHE 41 HE1 PHE 41 -8.441 4.964 0.553 315 HE2 PHE 41 HE2 PHE 41 -11.150 3.285 -2.279 316 HZ PHE 41 HZ PHE 41 -10.262 5.245 -1.081 317 H PHE 42 H PHE 42 -10.172 -1.285 2.521 318 HA PHE 42 HA PHE 42 -8.968 -3.922 2.230 319 HB2 PHE 42 2HB PHE 42 -11.106 -2.741 3.937 320 HB3 PHE 42 3HB PHE 42 -11.192 -4.466 3.592 321 HD1 PHE 42 HD2 PHE 42 -7.990 -2.716 3.844 322 HD2 PHE 42 HD1 PHE 42 -10.861 -5.100 5.890 323 HE1 PHE 42 HE2 PHE 42 -6.352 -3.150 5.628 324 HE2 PHE 42 HE1 PHE 42 -9.228 -5.538 7.678 325 HZ PHE 42 HZ PHE 42 -6.970 -4.563 7.548 326 H TRP 43 H TRP 43 -9.328 -4.860 0.320 327 HA TRP 43 HA TRP 43 -11.936 -4.544 -0.971 328 HB2 TRP 43 2HB TRP 43 -9.196 -5.185 -1.900 329 HB3 TRP 43 3HB TRP 43 -10.512 -5.986 -2.753 330 HD1 TRP 43 HD1 TRP 43 -10.389 -2.330 -1.461 331 HE1 TRP 43 HE1 TRP 43 -10.819 -0.770 -3.463 332 HE3 TRP 43 HE3 TRP 43 -10.635 -5.830 -5.180 333 HZ2 TRP 43 HZ2 TRP 43 -11.211 -0.993 -6.249 334 HZ3 TRP 43 HZ3 TRP 43 -11.042 -5.074 -7.486 335 HH2 TRP 43 HH2 TRP 43 -11.324 -2.705 -8.007 336 H ILE 44 H ILE 44 -13.417 -5.994 -0.401 337 HA ILE 44 HA ILE 44 -12.564 -8.791 -0.027 338 HB ILE 44 HB ILE 44 -14.895 -7.356 1.251 339 HG12 ILE 44 2HG1 ILE 44 -12.749 -6.776 2.262 340 HG13 ILE 44 3HG1 ILE 44 -13.679 -7.796 3.355 341 HG21 ILE 44 1HG2 ILE 44 -14.142 -10.232 1.089 342 HG22 ILE 44 2HG2 ILE 44 -14.875 -9.626 2.573 343 HG23 ILE 44 3HG2 ILE 44 -15.735 -9.478 1.041 344 HD11 ILE 44 3HD1 ILE 44 -12.332 -9.738 2.394 345 HD12 ILE 44 1HD1 ILE 44 -11.261 -8.500 1.738 346 HD13 ILE 44 2HD1 ILE 44 -11.508 -8.621 3.481 347 H GLY 45 H GLY 45 -13.206 -10.108 -1.591 348 HA2 GLY 45 2HA GLY 45 -15.234 -9.299 -3.478 349 HA3 GLY 45 3HA GLY 45 -14.296 -10.785 -3.523 350 H LYS 46 H LYS 46 -16.368 -11.744 -4.149 351 HA LYS 46 HA LYS 46 -18.328 -11.998 -2.001 352 HB2 LYS 46 2HB LYS 46 -18.311 -12.534 -4.930 353 HB3 LYS 46 3HB LYS 46 -19.392 -13.499 -3.933 354 HG2 LYS 46 2HG LYS 46 -19.725 -10.828 -3.118 355 HG3 LYS 46 3HG LYS 46 -19.716 -10.826 -4.883 356 HD2 LYS 46 2HD LYS 46 -21.316 -12.905 -4.531 357 HD3 LYS 46 3HD LYS 46 -21.621 -12.104 -2.988 358 HE2 LYS 46 2HE LYS 46 -22.059 -9.999 -4.327 359 HE3 LYS 46 3HE LYS 46 -22.052 -11.021 -5.763 360 HZ1 LYS 46 3HZ LYS 46 -24.078 -10.709 -3.743 361 HZ2 LYS 46 1HZ LYS 46 -23.741 -12.326 -4.110 362 HZ3 LYS 46 2HZ LYS 46 -24.215 -11.261 -5.336 363 H GLY 47 H GLY 47 -15.932 -13.875 -3.738 364 HA2 GLY 47 2HA GLY 47 -16.749 -16.399 -2.633 365 HA3 GLY 47 3HA GLY 47 -15.273 -16.082 -3.531 366 H ALA 48 H ALA 48 -14.464 -13.900 -1.745 367 HA ALA 48 HA ALA 48 -12.773 -15.227 -0.032 368 HB1 ALA 48 1HB ALA 48 -12.670 -13.053 1.243 369 HB2 ALA 48 2HB ALA 48 -12.362 -12.942 -0.491 370 HB3 ALA 48 3HB ALA 48 -13.927 -12.456 0.159 371 H ASN 49 H ASN 49 -13.064 -16.402 1.738 372 HA ASN 49 HA ASN 49 -15.576 -16.820 2.923 373 HB2 ASN 49 2HB ASN 49 -12.778 -17.622 3.522 374 HB3 ASN 49 3HB ASN 49 -13.940 -17.740 4.841 375 HD21 ASN 49 1HD2 ASN 49 -12.559 -19.385 2.374 376 HD22 ASN 49 2HD2 ASN 49 -13.766 -20.594 2.114 377 H GLU 50 H GLU 50 -16.027 -16.517 5.290 378 HA GLU 50 HA GLU 50 -15.852 -13.739 5.923 379 HB2 GLU 50 2HB GLU 50 -16.965 -16.124 7.390 380 HB3 GLU 50 3HB GLU 50 -16.973 -14.510 8.086 381 HG2 GLU 50 2HG GLU 50 -18.037 -14.327 5.468 382 HG3 GLU 50 3HG GLU 50 -18.822 -15.678 6.284 383 H SER 51 H SER 51 -14.174 -16.629 6.953 384 HA SER 51 HA SER 51 -12.904 -15.433 9.218 385 HB2 SER 51 2HB SER 51 -12.561 -18.003 7.708 386 HB3 SER 51 3HB SER 51 -11.344 -17.509 8.885 387 HG SER 51 HG SER 51 -13.044 -17.379 10.435 388 H GLU 52 H GLU 52 -11.918 -16.129 5.886 389 HA GLU 52 HA GLU 52 -9.257 -15.402 6.008 390 HB2 GLU 52 2HB GLU 52 -11.172 -14.875 3.729 391 HB3 GLU 52 3HB GLU 52 -9.419 -14.915 3.610 392 HG2 GLU 52 2HG GLU 52 -9.372 -17.252 4.120 393 HG3 GLU 52 3HG GLU 52 -11.100 -17.256 4.469 394 H LYS 53 H LYS 53 -12.057 -13.312 5.355 395 HA LYS 53 HA LYS 53 -10.619 -10.917 5.053 396 HB2 LYS 53 2HB LYS 53 -12.804 -10.797 4.277 397 HB3 LYS 53 3HB LYS 53 -13.463 -11.592 5.701 398 HG2 LYS 53 2HG LYS 53 -12.185 -8.948 6.088 399 HG3 LYS 53 3HG LYS 53 -13.742 -8.993 5.259 400 HD2 LYS 53 2HD LYS 53 -13.862 -10.708 7.535 401 HD3 LYS 53 3HD LYS 53 -13.227 -9.140 8.039 402 HE2 LYS 53 2HE LYS 53 -15.515 -8.845 8.243 403 HE3 LYS 53 3HE LYS 53 -15.186 -8.176 6.645 404 HZ1 LYS 53 3HZ LYS 53 -15.804 -10.411 5.743 405 HZ2 LYS 53 1HZ LYS 53 -17.079 -9.550 6.448 406 HZ3 LYS 53 2HZ LYS 53 -16.351 -10.824 7.289 407 H GLU 54 H GLU 54 -11.686 -12.656 7.876 408 HA GLU 54 HA GLU 54 -11.298 -10.476 9.702 409 HB2 GLU 54 2HB GLU 54 -11.547 -13.443 10.232 410 HB3 GLU 54 3HB GLU 54 -11.613 -12.179 11.452 411 HG2 GLU 54 2HG GLU 54 -13.514 -11.702 9.331 412 HG3 GLU 54 3HG GLU 54 -13.747 -13.283 10.075 413 H ALA 55 H ALA 55 -9.557 -13.541 9.155 414 HA ALA 55 HA ALA 55 -7.385 -12.948 10.836 415 HB1 ALA 55 1HB ALA 55 -6.428 -14.899 10.078 416 HB2 ALA 55 2HB ALA 55 -8.132 -15.187 9.723 417 HB3 ALA 55 3HB ALA 55 -7.036 -14.686 8.436 418 H ALA 56 H ALA 56 -7.719 -12.641 7.305 419 HA ALA 56 HA ALA 56 -5.163 -11.617 6.799 420 HB1 ALA 56 1HB ALA 56 -5.888 -11.196 4.649 421 HB2 ALA 56 2HB ALA 56 -7.010 -12.452 5.173 422 HB3 ALA 56 3HB ALA 56 -7.517 -10.763 5.169 423 H ALA 57 H ALA 57 -8.007 -10.120 8.092 424 HA ALA 57 HA ALA 57 -7.266 -7.419 7.539 425 HB1 ALA 57 1HB ALA 57 -8.970 -7.113 9.563 426 HB2 ALA 57 2HB ALA 57 -9.502 -7.493 7.924 427 HB3 ALA 57 3HB ALA 57 -9.366 -8.775 9.127 428 H GLU 58 H GLU 58 -6.949 -9.553 10.351 429 HA GLU 58 HA GLU 58 -5.724 -7.554 11.991 430 HB2 GLU 58 2HB GLU 58 -6.071 -10.532 12.241 431 HB3 GLU 58 3HB GLU 58 -5.120 -9.619 13.404 432 HG2 GLU 58 2HG GLU 58 -7.605 -8.293 13.054 433 HG3 GLU 58 3HG GLU 58 -7.919 -10.006 13.326 434 H THR 59 H THR 59 -4.559 -10.247 10.024 435 HA THR 59 HA THR 59 -1.877 -10.222 10.772 436 HB THR 59 HB THR 59 -3.055 -10.863 8.061 437 HG1 THR 59 HG1 THR 59 -2.620 -12.338 10.431 438 HG21 THR 59 3HG2 THR 59 -0.308 -10.804 9.029 439 HG22 THR 59 1HG2 THR 59 -0.922 -10.954 7.383 440 HG23 THR 59 2HG2 THR 59 -0.777 -12.385 8.405 441 H ALA 60 H ALA 60 -3.639 -8.160 8.551 442 HA ALA 60 HA ALA 60 -1.373 -6.952 7.337 443 HB1 ALA 60 1HB ALA 60 -3.232 -5.080 6.969 444 HB2 ALA 60 2HB ALA 60 -3.197 -6.579 6.038 445 HB3 ALA 60 3HB ALA 60 -4.286 -6.422 7.417 446 H GLN 61 H GLN 61 -3.394 -6.104 10.114 447 HA GLN 61 HA GLN 61 -2.466 -3.566 10.664 448 HB2 GLN 61 2HB GLN 61 -3.540 -5.787 12.335 449 HB3 GLN 61 3HB GLN 61 -2.807 -4.417 13.160 450 HG2 GLN 61 2HG GLN 61 -4.572 -3.435 11.155 451 HG3 GLN 61 3HG GLN 61 -5.417 -4.649 12.116 452 HE21 GLN 61 1HE2 GLN 61 -5.706 -4.301 14.328 453 HE22 GLN 61 2HE2 GLN 61 -5.554 -2.731 15.030 454 H GLU 62 H GLU 62 -0.907 -6.647 11.211 455 HA GLU 62 HA GLU 62 1.072 -5.880 13.021 456 HB2 GLU 62 2HB GLU 62 1.010 -7.981 10.865 457 HB3 GLU 62 3HB GLU 62 2.411 -7.763 11.904 458 HG2 GLU 62 2HG GLU 62 -0.112 -7.966 13.358 459 HG3 GLU 62 3HG GLU 62 0.294 -9.401 12.418 460 H TYR 63 H TYR 63 0.962 -5.634 9.502 461 HA TYR 63 HA TYR 63 3.646 -4.703 9.229 462 HB2 TYR 63 2HB TYR 63 2.642 -5.755 7.332 463 HB3 TYR 63 3HB TYR 63 1.266 -4.658 7.371 464 HD1 TYR 63 HD2 TYR 63 1.508 -2.336 6.597 465 HD2 TYR 63 HD1 TYR 63 4.722 -5.109 6.315 466 HE1 TYR 63 HE2 TYR 63 2.648 -0.843 5.010 467 HE2 TYR 63 HE1 TYR 63 5.872 -3.624 4.728 468 HH TYR 63 HH TYR 63 5.794 -1.716 3.603 469 H LEU 64 H LEU 64 0.485 -3.148 9.456 470 HA LEU 64 HA LEU 64 1.165 -0.542 8.822 471 HB2 LEU 64 2HB LEU 64 -0.876 -1.758 10.626 472 HB3 LEU 64 3HB LEU 64 -0.663 -0.009 10.619 473 HG LEU 64 HG LEU 64 -2.514 -0.948 9.161 474 HD11 LEU 64 1HD1 LEU 64 -1.613 0.505 7.145 475 HD12 LEU 64 2HD1 LEU 64 -0.397 0.963 8.337 476 HD13 LEU 64 3HD1 LEU 64 -2.106 1.238 8.671 477 HD21 LEU 64 3HD2 LEU 64 -0.127 -1.835 7.547 478 HD22 LEU 64 1HD2 LEU 64 -1.774 -1.732 6.924 479 HD23 LEU 64 2HD2 LEU 64 -1.394 -2.856 8.229 480 H ARG 65 H ARG 65 1.729 -2.339 11.773 481 HA ARG 65 HA ARG 65 2.336 -0.251 13.515 482 HB2 ARG 65 2HB ARG 65 3.634 -2.981 13.418 483 HB3 ARG 65 3HB ARG 65 3.602 -1.895 14.801 484 HG2 ARG 65 2HG ARG 65 0.929 -2.337 13.916 485 HG3 ARG 65 3HG ARG 65 1.743 -3.892 14.102 486 HD2 ARG 65 2HD ARG 65 2.198 -3.514 16.363 487 HD3 ARG 65 3HD ARG 65 1.926 -1.778 16.220 488 HE ARG 65 HE ARG 65 -0.455 -3.149 15.617 489 HH11 ARG 65 1HH1 ARG 65 1.621 -2.407 18.312 490 HH12 ARG 65 2HH1 ARG 65 0.343 -2.466 19.480 491 HH21 ARG 65 1HH2 ARG 65 -2.146 -3.229 17.146 492 HH22 ARG 65 2HH2 ARG 65 -1.799 -2.934 18.816 493 H SER 66 H SER 66 4.109 -1.516 10.836 494 HA SER 66 HA SER 66 6.669 -0.501 11.632 495 HB2 SER 66 2HB SER 66 7.478 -1.364 9.627 496 HB3 SER 66 3HB SER 66 6.091 -2.409 9.936 497 HG SER 66 HG SER 66 5.141 -1.633 8.227 498 H HIS 67 H HIS 67 3.896 0.764 9.996 499 HA HIS 67 HA HIS 67 5.227 2.946 8.712 500 HB2 HIS 67 2HB HIS 67 2.405 2.105 9.141 501 HB3 HIS 67 3HB HIS 67 2.695 3.806 8.788 502 HD1 HIS 67 HD1 HIS 67 1.250 1.716 6.873 503 HD2 HIS 67 HD2 HIS 67 5.177 3.038 6.564 504 HE1 HIS 67 HE1 HIS 67 1.890 1.367 4.466 505 HA PRO 68 HA PRO 68 5.488 5.923 11.922 506 HB2 PRO 68 2HB PRO 68 4.790 8.219 10.653 507 HB3 PRO 68 3HB PRO 68 6.325 7.391 10.366 508 HG2 PRO 68 2HG PRO 68 3.804 7.322 8.753 509 HG3 PRO 68 3HG PRO 68 5.483 7.450 8.199 510 HD2 PRO 68 2HD PRO 68 4.106 5.120 8.148 511 HD3 PRO 68 3HD PRO 68 5.859 5.187 8.416 512 H GLY 69 H GLY 69 4.071 8.221 12.390 513 HA2 GLY 69 2HA GLY 69 2.029 9.086 13.080 514 HA3 GLY 69 3HA GLY 69 1.232 7.684 12.380 515 H SER 70 H SER 70 0.442 8.723 14.815 516 HA SER 70 HA SER 70 1.542 6.861 16.803 517 HB2 SER 70 2HB SER 70 -0.043 9.415 17.075 518 HB3 SER 70 3HB SER 70 0.222 8.318 18.430 519 HG SER 70 HG SER 70 2.249 9.559 16.876 520 H ARG 71 H ARG 71 -1.677 8.322 16.422 521 HA ARG 71 HA ARG 71 -2.852 5.686 16.941 522 HB2 ARG 71 2HB ARG 71 -3.759 8.497 17.376 523 HB3 ARG 71 3HB ARG 71 -4.977 7.252 17.132 524 HG2 ARG 71 2HG ARG 71 -3.370 6.082 18.989 525 HG3 ARG 71 3HG ARG 71 -3.264 7.785 19.440 526 HD2 ARG 71 2HD ARG 71 -5.452 7.905 20.034 527 HD3 ARG 71 3HD ARG 71 -5.957 6.732 18.818 528 HE ARG 71 HE ARG 71 -4.499 5.313 20.674 529 HH11 ARG 71 1HH1 ARG 71 -7.377 7.271 20.674 530 HH12 ARG 71 2HH1 ARG 71 -8.121 6.410 21.980 531 HH21 ARG 71 1HH2 ARG 71 -5.468 4.170 22.394 532 HH22 ARG 71 2HH2 ARG 71 -7.034 4.646 22.958 533 H ASP 72 H ASP 72 -1.785 6.724 14.323 534 HA ASP 72 HA ASP 72 -3.847 7.343 12.549 535 HB2 ASP 72 2HB ASP 72 -1.115 6.191 12.291 536 HB3 ASP 72 3HB ASP 72 -2.196 6.027 10.909 537 H LEU 73 H LEU 73 -3.043 4.369 14.086 538 HA LEU 73 HA LEU 73 -4.266 2.607 12.217 539 HB2 LEU 73 2HB LEU 73 -3.633 2.292 15.146 540 HB3 LEU 73 3HB LEU 73 -4.236 0.992 14.119 541 HG LEU 73 HG LEU 73 -1.855 2.243 13.021 542 HD11 LEU 73 1HD1 LEU 73 -0.675 2.501 14.890 543 HD12 LEU 73 2HD1 LEU 73 -0.677 0.742 15.015 544 HD13 LEU 73 3HD1 LEU 73 -1.897 1.687 15.868 545 HD21 LEU 73 3HD2 LEU 73 -2.738 0.132 12.233 546 HD22 LEU 73 1HD2 LEU 73 -2.565 -0.571 13.842 547 HD23 LEU 73 2HD2 LEU 73 -1.132 -0.110 12.923 548 H ASP 74 H ASP 74 -5.445 4.608 14.785 549 HA ASP 74 HA ASP 74 -7.865 3.304 15.353 550 HB2 ASP 74 2HB ASP 74 -7.141 6.237 15.484 551 HB3 ASP 74 3HB ASP 74 -8.629 5.557 16.138 552 H THR 75 H THR 75 -6.918 5.439 12.754 553 HA THR 75 HA THR 75 -9.351 6.291 11.777 554 HB THR 75 HB THR 75 -7.325 5.362 9.794 555 HG1 THR 75 HG1 THR 75 -5.775 6.451 10.721 556 HG21 THR 75 3HG2 THR 75 -9.135 6.589 8.890 557 HG22 THR 75 1HG2 THR 75 -7.780 7.715 8.951 558 HG23 THR 75 2HG2 THR 75 -9.052 7.800 10.169 559 HA PRO 76 HA PRO 76 -11.420 2.551 10.628 560 HB2 PRO 76 2HB PRO 76 -13.412 3.692 9.179 561 HB3 PRO 76 3HB PRO 76 -13.370 3.724 10.945 562 HG2 PRO 76 2HG PRO 76 -12.565 5.845 8.992 563 HG3 PRO 76 3HG PRO 76 -13.484 6.004 10.500 564 HD2 PRO 76 2HD PRO 76 -10.847 6.598 10.330 565 HD3 PRO 76 3HD PRO 76 -11.586 5.949 11.808 566 H ILE 77 H ILE 77 -11.931 1.313 8.736 567 HA ILE 77 HA ILE 77 -10.362 2.137 6.387 568 HB ILE 77 HB ILE 77 -11.082 -0.579 7.459 569 HG12 ILE 77 2HG1 ILE 77 -8.369 -0.151 6.533 570 HG13 ILE 77 3HG1 ILE 77 -8.838 1.077 7.703 571 HG21 ILE 77 1HG2 ILE 77 -10.280 0.197 4.685 572 HG22 ILE 77 2HG2 ILE 77 -9.804 -1.365 5.347 573 HG23 ILE 77 3HG2 ILE 77 -11.512 -0.948 5.213 574 HD11 ILE 77 3HD1 ILE 77 -8.770 -1.899 8.069 575 HD12 ILE 77 1HD1 ILE 77 -7.840 -0.669 8.923 576 HD13 ILE 77 2HD1 ILE 77 -9.576 -0.811 9.198 577 H ILE 78 H ILE 78 -11.225 2.013 4.332 578 HA ILE 78 HA ILE 78 -14.112 2.167 4.193 579 HB ILE 78 HB ILE 78 -11.925 2.642 2.183 580 HG12 ILE 78 2HG1 ILE 78 -13.778 4.775 2.392 581 HG13 ILE 78 3HG1 ILE 78 -13.415 4.251 4.033 582 HG21 ILE 78 1HG2 ILE 78 -13.923 3.433 0.731 583 HG22 ILE 78 2HG2 ILE 78 -13.512 1.720 0.776 584 HG23 ILE 78 3HG2 ILE 78 -14.863 2.328 1.732 585 HD11 ILE 78 3HD1 ILE 78 -11.968 6.083 3.061 586 HD12 ILE 78 1HD1 ILE 78 -11.130 4.710 3.783 587 HD13 ILE 78 2HD1 ILE 78 -11.264 4.838 2.029 588 H VAL 79 H VAL 79 -15.038 0.188 4.336 589 HA VAL 79 HA VAL 79 -14.010 -2.188 3.227 590 HB VAL 79 HB VAL 79 -16.854 -1.498 3.979 591 HG11 VAL 79 1HG1 VAL 79 -17.317 -3.376 2.827 592 HG12 VAL 79 2HG1 VAL 79 -15.639 -3.925 2.844 593 HG13 VAL 79 3HG1 VAL 79 -16.668 -4.184 4.254 594 HG21 VAL 79 3HG2 VAL 79 -15.848 -1.428 6.007 595 HG22 VAL 79 1HG2 VAL 79 -16.010 -3.180 5.887 596 HG23 VAL 79 2HG2 VAL 79 -14.478 -2.407 5.484 597 H VAL 80 H VAL 80 -14.423 -3.263 1.334 598 HA VAL 80 HA VAL 80 -16.010 -1.827 -0.691 599 HB VAL 80 HB VAL 80 -13.491 -3.374 -1.292 600 HG11 VAL 80 1HG1 VAL 80 -13.669 -2.528 -3.481 601 HG12 VAL 80 2HG1 VAL 80 -15.295 -3.067 -3.057 602 HG13 VAL 80 3HG1 VAL 80 -14.895 -1.349 -3.013 603 HG21 VAL 80 3HG2 VAL 80 -12.468 -1.123 -1.674 604 HG22 VAL 80 1HG2 VAL 80 -13.882 -0.413 -0.893 605 HG23 VAL 80 2HG2 VAL 80 -12.819 -1.489 0.015 606 H LYS 81 H LYS 81 -17.308 -3.041 -1.995 607 HA LYS 81 HA LYS 81 -17.534 -5.885 -1.296 608 HB2 LYS 81 2HB LYS 81 -19.466 -3.789 -2.123 609 HB3 LYS 81 3HB LYS 81 -19.780 -5.421 -2.698 610 HG2 LYS 81 2HG LYS 81 -19.316 -5.957 -0.120 611 HG3 LYS 81 3HG LYS 81 -19.926 -4.308 0.031 612 HD2 LYS 81 2HD LYS 81 -22.009 -5.031 -0.249 613 HD3 LYS 81 3HD LYS 81 -21.576 -5.736 -1.808 614 HE2 LYS 81 2HE LYS 81 -20.617 -7.678 -0.407 615 HE3 LYS 81 3HE LYS 81 -21.585 -7.011 0.906 616 HZ1 LYS 81 3HZ LYS 81 -22.880 -7.484 -1.680 617 HZ2 LYS 81 1HZ LYS 81 -23.528 -7.565 -0.120 618 HZ3 LYS 81 2HZ LYS 81 -22.550 -8.819 -0.696 619 H GLN 82 H GLN 82 -18.267 -7.337 -3.095 620 HA GLN 82 HA GLN 82 -16.459 -7.058 -5.309 621 HB2 GLN 82 2HB GLN 82 -17.118 -9.225 -4.094 622 HB3 GLN 82 3HB GLN 82 -18.592 -9.165 -5.051 623 HG2 GLN 82 2HG GLN 82 -16.821 -10.617 -5.997 624 HG3 GLN 82 3HG GLN 82 -17.367 -9.343 -7.086 625 HE21 GLN 82 1HE2 GLN 82 -15.984 -7.674 -7.615 626 HE22 GLN 82 2HE2 GLN 82 -14.291 -7.724 -7.276 627 H GLY 83 H GLY 83 -16.907 -5.858 -7.030 628 HA2 GLY 83 2HA GLY 83 -18.354 -5.853 -9.058 629 HA3 GLY 83 3HA GLY 83 -19.714 -5.745 -7.950 630 H PHE 84 H PHE 84 -17.017 -3.968 -6.925 631 HA PHE 84 HA PHE 84 -17.931 -1.521 -8.250 632 HB2 PHE 84 2HB PHE 84 -17.425 -1.575 -5.279 633 HB3 PHE 84 3HB PHE 84 -18.177 -0.300 -6.233 634 HD1 PHE 84 HD1 PHE 84 -20.465 -0.620 -7.127 635 HD2 PHE 84 HD2 PHE 84 -18.684 -3.386 -4.426 636 HE1 PHE 84 HE1 PHE 84 -22.685 -1.553 -6.623 637 HE2 PHE 84 HE2 PHE 84 -20.901 -4.324 -3.919 638 HZ PHE 84 HZ PHE 84 -22.905 -3.408 -5.018 639 H GLU 85 H GLU 85 -16.182 -0.804 -9.268 640 HA GLU 85 HA GLU 85 -13.608 -0.867 -7.834 641 HB2 GLU 85 2HB GLU 85 -13.485 -2.379 -9.697 642 HB3 GLU 85 3HB GLU 85 -14.170 -1.179 -10.784 643 HG2 GLU 85 2HG GLU 85 -12.215 -0.029 -10.980 644 HG3 GLU 85 3HG GLU 85 -11.648 -0.501 -9.379 645 HA PRO 86 HA PRO 86 -14.559 3.571 -8.375 646 HB2 PRO 86 2HB PRO 86 -13.163 4.345 -6.179 647 HB3 PRO 86 3HB PRO 86 -14.826 3.752 -6.100 648 HG2 PRO 86 2HG PRO 86 -12.268 2.296 -5.553 649 HG3 PRO 86 3HG PRO 86 -13.793 2.257 -4.649 650 HD2 PRO 86 2HD PRO 86 -13.078 0.307 -6.387 651 HD3 PRO 86 3HD PRO 86 -14.770 0.773 -6.117 652 HA PRO 87 HA PRO 87 -10.774 4.525 -10.450 653 HB2 PRO 87 2HB PRO 87 -11.152 7.197 -10.743 654 HB3 PRO 87 3HB PRO 87 -12.016 5.994 -11.707 655 HG2 PRO 87 2HG PRO 87 -12.933 7.494 -9.284 656 HG3 PRO 87 3HG PRO 87 -13.815 7.140 -10.781 657 HD2 PRO 87 2HD PRO 87 -14.178 5.719 -8.505 658 HD3 PRO 87 3HD PRO 87 -14.329 4.993 -10.119 659 H THR 88 H THR 88 -11.662 5.770 -7.381 660 HA THR 88 HA THR 88 -9.334 7.382 -6.943 661 HB THR 88 HB THR 88 -10.127 7.761 -4.780 662 HG1 THR 88 HG1 THR 88 -11.896 5.563 -4.819 663 HG21 THR 88 3HG2 THR 88 -11.707 8.522 -6.555 664 HG22 THR 88 1HG2 THR 88 -12.477 8.233 -4.995 665 HG23 THR 88 2HG2 THR 88 -12.640 7.049 -6.293 666 H PHE 89 H PHE 89 -10.366 4.156 -5.854 667 HA PHE 89 HA PHE 89 -8.088 3.554 -4.340 668 HB2 PHE 89 2HB PHE 89 -9.725 2.022 -3.904 669 HB3 PHE 89 3HB PHE 89 -10.296 2.000 -5.569 670 HD1 PHE 89 HD2 PHE 89 -9.303 0.522 -7.207 671 HD2 PHE 89 HD1 PHE 89 -7.942 0.570 -3.175 672 HE1 PHE 89 HE2 PHE 89 -8.129 -1.607 -7.582 673 HE2 PHE 89 HE1 PHE 89 -6.764 -1.559 -3.543 674 HZ PHE 89 HZ PHE 89 -6.858 -2.651 -5.749 675 H THR 90 H THR 90 -8.841 2.863 -7.739 676 HA THR 90 HA THR 90 -6.637 1.371 -8.442 677 HB THR 90 HB THR 90 -7.510 3.470 -10.368 678 HG1 THR 90 HG1 THR 90 -9.543 2.997 -10.063 679 HG21 THR 90 3HG2 THR 90 -7.254 0.475 -10.637 680 HG22 THR 90 1HG2 THR 90 -5.947 1.614 -10.958 681 HG23 THR 90 2HG2 THR 90 -7.412 1.653 -11.940 682 H GLY 91 H GLY 91 -6.889 4.861 -8.037 683 HA2 GLY 91 2HA GLY 91 -4.493 5.660 -9.207 684 HA3 GLY 91 3HA GLY 91 -5.276 6.485 -7.867 685 H TRP 92 H TRP 92 -5.001 3.862 -6.317 686 HA TRP 92 HA TRP 92 -2.571 4.557 -5.003 687 HB2 TRP 92 2HB TRP 92 -4.380 2.153 -4.690 688 HB3 TRP 92 3HB TRP 92 -3.028 2.528 -3.625 689 HD1 TRP 92 HD1 TRP 92 -6.541 2.714 -3.452 690 HE1 TRP 92 HE1 TRP 92 -7.386 4.660 -1.995 691 HE3 TRP 92 HE3 TRP 92 -2.266 5.511 -3.276 692 HZ2 TRP 92 HZ2 TRP 92 -6.374 7.064 -0.915 693 HZ3 TRP 92 HZ3 TRP 92 -2.288 7.621 -2.010 694 HH2 TRP 92 HH2 TRP 92 -4.301 8.380 -0.855 695 H PHE 93 H PHE 93 -3.197 2.769 -7.764 696 HA PHE 93 HA PHE 93 -0.951 0.946 -7.428 697 HB2 PHE 93 2HB PHE 93 -3.122 1.266 -9.470 698 HB3 PHE 93 3HB PHE 93 -1.668 0.361 -9.878 699 HD1 PHE 93 HD2 PHE 93 -3.855 0.571 -6.858 700 HD2 PHE 93 HD1 PHE 93 -2.025 -1.897 -9.804 701 HE1 PHE 93 HE2 PHE 93 -4.796 -1.423 -5.768 702 HE2 PHE 93 HE1 PHE 93 -2.965 -3.895 -8.719 703 HZ PHE 93 HZ PHE 93 -4.351 -3.660 -6.697 704 H MET 94 H MET 94 0.495 0.734 -9.459 705 HA MET 94 HA MET 94 1.730 3.320 -9.859 706 HB2 MET 94 2HB MET 94 2.695 0.830 -11.203 707 HB3 MET 94 3HB MET 94 3.621 2.175 -10.551 708 HG2 MET 94 2HG MET 94 2.222 0.030 -8.973 709 HG3 MET 94 3HG MET 94 3.960 0.204 -9.211 710 HE1 MET 94 3HE MET 94 1.980 0.758 -5.829 711 HE2 MET 94 1HE MET 94 1.052 2.096 -6.507 712 HE3 MET 94 2HE MET 94 1.111 0.548 -7.350 713 H ALA 95 H ALA 95 -0.448 1.290 -11.529 714 HA ALA 95 HA ALA 95 0.083 2.652 -14.079 715 HB1 ALA 95 1HB ALA 95 -0.749 0.840 -15.197 716 HB2 ALA 95 2HB ALA 95 -0.110 0.045 -13.758 717 HB3 ALA 95 3HB ALA 95 -1.835 0.387 -13.884 718 H TRP 96 H TRP 96 -1.059 4.474 -14.250 719 HA TRP 96 HA TRP 96 -3.333 5.192 -12.860 720 HB2 TRP 96 2HB TRP 96 -2.066 6.103 -15.394 721 HB3 TRP 96 3HB TRP 96 -3.712 6.641 -15.073 722 HD1 TRP 96 HD1 TRP 96 -0.443 7.954 -14.727 723 HE1 TRP 96 HE1 TRP 96 -0.228 9.611 -12.769 724 HE3 TRP 96 HE3 TRP 96 -4.700 6.744 -12.167 725 HZ2 TRP 96 HZ2 TRP 96 -1.671 10.312 -10.447 726 HZ3 TRP 96 HZ3 TRP 96 -5.209 7.955 -10.087 727 HH2 TRP 96 HH2 TRP 96 -3.725 9.701 -9.246 728 H ASP 97 H ASP 97 -5.544 5.544 -13.691 729 HA ASP 97 HA ASP 97 -6.388 3.339 -15.456 730 HB2 ASP 97 2HB ASP 97 -6.983 3.374 -12.870 731 HB3 ASP 97 3HB ASP 97 -8.263 4.453 -13.419 732 HA PRO 98 HA PRO 98 -8.119 6.462 -18.044 733 HB2 PRO 98 2HB PRO 98 -9.798 4.886 -19.483 734 HB3 PRO 98 3HB PRO 98 -8.046 4.890 -19.718 735 HG2 PRO 98 2HG PRO 98 -9.745 2.972 -18.171 736 HG3 PRO 98 3HG PRO 98 -8.389 2.635 -19.263 737 HD2 PRO 98 2HD PRO 98 -8.123 2.638 -16.568 738 HD3 PRO 98 3HD PRO 98 -6.810 3.129 -17.657 739 H LEU 99 H LEU 99 -9.861 4.681 -15.727 740 HA LEU 99 HA LEU 99 -12.406 5.978 -16.282 741 HB2 LEU 99 2HB LEU 99 -11.475 3.882 -14.364 742 HB3 LEU 99 3HB LEU 99 -12.999 4.721 -14.083 743 HG LEU 99 HG LEU 99 -13.395 2.595 -15.168 744 HD11 LEU 99 1HD1 LEU 99 -14.962 3.361 -16.621 745 HD12 LEU 99 2HD1 LEU 99 -13.849 4.477 -17.411 746 HD13 LEU 99 3HD1 LEU 99 -14.549 4.891 -15.846 747 HD21 LEU 99 3HD2 LEU 99 -12.528 2.071 -17.356 748 HD22 LEU 99 1HD2 LEU 99 -11.186 2.407 -16.262 749 HD23 LEU 99 2HD2 LEU 99 -11.692 3.623 -17.435 750 H CYS 100 H CYS 100 -9.744 7.188 -15.137 751 HA CYS 100 HA CYS 100 -10.457 8.200 -12.572 752 HB2 CYS 100 2HB CYS 100 -8.277 8.679 -14.538 753 HB3 CYS 100 3HB CYS 100 -8.578 9.941 -13.350 754 HG CYS 100 HG CYS 100 -7.416 8.801 -11.355 755 H TRP 101 H TRP 101 -11.464 8.967 -15.697 756 HA TRP 101 HA TRP 101 -12.062 11.753 -15.080 757 HB2 TRP 101 2HB TRP 101 -12.036 10.083 -17.540 758 HB3 TRP 101 3HB TRP 101 -13.168 11.433 -17.496 759 HD1 TRP 101 HD1 TRP 101 -12.212 13.671 -18.286 760 HE1 TRP 101 HE1 TRP 101 -9.858 14.657 -18.617 761 HE3 TRP 101 HE3 TRP 101 -9.443 9.814 -16.390 762 HZ2 TRP 101 HZ2 TRP 101 -7.181 13.900 -18.138 763 HZ3 TRP 101 HZ3 TRP 101 -6.992 10.024 -16.364 764 HH2 TRP 101 HH2 TRP 101 -5.886 12.025 -17.220 765 H SER 102 H SER 102 -13.382 9.209 -13.923 766 HA SER 102 HA SER 102 -16.054 9.123 -14.790 767 HB2 SER 102 2HB SER 102 -16.428 7.677 -13.024 768 HB3 SER 102 3HB SER 102 -14.677 7.545 -13.180 769 HG SER 102 HG SER 102 -16.190 8.943 -11.259 770 H ASP 103 H ASP 103 -14.367 11.469 -12.999 771 HA ASP 103 HA ASP 103 -16.852 12.598 -11.913 772 HB2 ASP 103 2HB ASP 103 -13.953 13.160 -11.266 773 HB3 ASP 103 3HB ASP 103 -15.300 14.082 -10.604 774 H ARG 104 H ARG 104 -14.146 13.268 -14.046 775 HA ARG 104 HA ARG 104 -14.547 15.979 -14.514 776 HB2 ARG 104 2HB ARG 104 -13.317 13.741 -16.039 777 HB3 ARG 104 3HB ARG 104 -13.666 15.222 -16.919 778 HG2 ARG 104 2HG ARG 104 -12.073 15.154 -14.371 779 HG3 ARG 104 3HG ARG 104 -11.352 15.041 -15.978 780 HD2 ARG 104 2HD ARG 104 -13.212 17.288 -15.320 781 HD3 ARG 104 3HD ARG 104 -11.530 17.353 -14.795 782 HE ARG 104 HE ARG 104 -11.622 16.712 -17.530 783 HH11 ARG 104 1HH1 ARG 104 -12.233 19.373 -15.371 784 HH12 ARG 104 2HH1 ARG 104 -11.872 20.586 -16.554 785 HH21 ARG 104 1HH2 ARG 104 -11.145 18.299 -19.097 786 HH22 ARG 104 2HH2 ARG 104 -11.255 19.974 -18.674 787 H LYS 105 H LYS 105 -16.325 13.215 -15.642 788 HA LYS 105 HA LYS 105 -17.626 14.357 -17.852 789 HB2 LYS 105 2HB LYS 105 -18.146 12.052 -16.041 790 HB3 LYS 105 3HB LYS 105 -19.477 12.614 -17.045 791 HG2 LYS 105 2HG LYS 105 -16.819 12.086 -18.290 792 HG3 LYS 105 3HG LYS 105 -17.888 10.738 -17.895 793 HD2 LYS 105 2HD LYS 105 -19.636 11.655 -19.274 794 HD3 LYS 105 3HD LYS 105 -18.694 13.119 -19.563 795 HE2 LYS 105 2HE LYS 105 -17.925 12.119 -21.399 796 HE3 LYS 105 3HE LYS 105 -16.999 11.068 -20.329 797 HZ1 LYS 105 3HZ LYS 105 -18.383 9.344 -20.679 798 HZ2 LYS 105 1HZ LYS 105 -18.732 10.162 -22.118 799 HZ3 LYS 105 2HZ LYS 105 -19.767 10.310 -20.789 800 H SER 106 H SER 106 -17.996 14.892 -14.489 801 HA SER 106 HA SER 106 -20.420 16.483 -15.015 802 HB2 SER 106 2HB SER 106 -20.808 15.996 -12.444 803 HB3 SER 106 3HB SER 106 -21.329 14.840 -13.670 804 HG SER 106 HG SER 106 -18.942 14.753 -12.137 805 H TYR 107 H TYR 107 -20.744 18.052 -13.025 806 HA TYR 107 HA TYR 107 -18.520 19.828 -13.075 807 HB2 TYR 107 2HB TYR 107 -19.879 21.311 -11.776 808 HB3 TYR 107 3HB TYR 107 -20.935 20.519 -12.940 809 HD1 TYR 107 HD1 TYR 107 -20.041 20.809 -9.398 810 HD2 TYR 107 HD2 TYR 107 -22.625 18.938 -12.213 811 HE1 TYR 107 HE1 TYR 107 -21.510 20.088 -7.561 812 HE2 TYR 107 HE2 TYR 107 -24.102 18.213 -10.385 813 HH TYR 107 HH TYR 107 -23.565 17.772 -7.652 Start of MODEL 4 1 HA PRO 1 HA PRO 1 1.455 -0.068 -0.693 2 HB2 PRO 1 2HB PRO 1 1.453 0.508 -3.346 3 HB3 PRO 1 3HB PRO 1 1.434 1.754 -2.092 4 HG2 PRO 1 2HG PRO 1 3.739 0.715 -3.694 5 HG3 PRO 1 3HG PRO 1 3.339 2.388 -3.264 6 HD2 PRO 1 2HD PRO 1 5.220 0.955 -1.945 7 HD3 PRO 1 3HD PRO 1 4.225 2.189 -1.146 8 H ARG 2 H ARG 2 1.954 -2.367 -0.273 9 HA ARG 2 HA ARG 2 2.071 -3.909 -2.782 10 HB2 ARG 2 2HB ARG 2 3.021 -4.881 -0.086 11 HB3 ARG 2 3HB ARG 2 3.235 -5.670 -1.643 12 HG2 ARG 2 2HG ARG 2 5.263 -4.742 -1.606 13 HG3 ARG 2 3HG ARG 2 4.427 -3.262 -2.081 14 HD2 ARG 2 2HD ARG 2 5.897 -2.826 -0.204 15 HD3 ARG 2 3HD ARG 2 4.214 -2.644 0.288 16 HE ARG 2 HE ARG 2 4.799 -5.215 0.933 17 HH11 ARG 2 1HH1 ARG 2 6.269 -2.143 1.653 18 HH12 ARG 2 2HH1 ARG 2 6.885 -2.651 3.191 19 HH21 ARG 2 1HH2 ARG 2 5.604 -5.896 2.956 20 HH22 ARG 2 2HH2 ARG 2 6.507 -4.786 3.930 21 H LEU 3 H LEU 3 0.948 -6.000 -2.707 22 HA LEU 3 HA LEU 3 -1.573 -5.732 -1.260 23 HB2 LEU 3 2HB LEU 3 -0.662 -7.160 -3.691 24 HB3 LEU 3 3HB LEU 3 -1.979 -7.889 -2.775 25 HG LEU 3 HG LEU 3 -1.981 -5.121 -3.979 26 HD11 LEU 3 1HD1 LEU 3 -2.166 -7.279 -5.443 27 HD12 LEU 3 2HD1 LEU 3 -3.265 -5.926 -5.703 28 HD13 LEU 3 3HD1 LEU 3 -3.804 -7.336 -4.791 29 HD21 LEU 3 3HD2 LEU 3 -4.557 -6.101 -3.243 30 HD22 LEU 3 1HD2 LEU 3 -3.717 -4.654 -2.682 31 HD23 LEU 3 2HD2 LEU 3 -3.487 -6.188 -1.842 32 H PHE 4 H PHE 4 -2.557 -8.020 -0.705 33 HA PHE 4 HA PHE 4 -0.621 -9.881 0.372 34 HB2 PHE 4 2HB PHE 4 -2.440 -8.273 2.173 35 HB3 PHE 4 3HB PHE 4 -1.595 -9.731 2.682 36 HD1 PHE 4 HD2 PHE 4 0.862 -9.745 2.841 37 HD2 PHE 4 HD1 PHE 4 -1.313 -6.192 1.971 38 HE1 PHE 4 HE2 PHE 4 2.838 -8.399 3.420 39 HE2 PHE 4 HE1 PHE 4 0.660 -4.839 2.547 40 HZ PHE 4 HZ PHE 4 2.738 -5.942 3.274 41 H GLU 5 H GLU 5 -1.488 -11.587 -0.682 42 HA GLU 5 HA GLU 5 -4.362 -12.021 -0.656 43 HB2 GLU 5 2HB GLU 5 -2.055 -13.108 -2.161 44 HB3 GLU 5 3HB GLU 5 -3.392 -14.216 -1.886 45 HG2 GLU 5 2HG GLU 5 -4.796 -13.088 -3.254 46 HG3 GLU 5 3HG GLU 5 -4.079 -11.522 -2.884 47 H CYS 6 H CYS 6 -5.245 -12.959 1.058 48 HA CYS 6 HA CYS 6 -3.827 -15.220 2.301 49 HB2 CYS 6 2HB CYS 6 -5.622 -13.417 3.896 50 HB3 CYS 6 3HB CYS 6 -4.359 -14.503 4.463 51 HG CYS 6 HG CYS 6 -3.991 -11.422 3.048 52 H SER 7 H SER 7 -4.927 -16.989 1.775 53 HA SER 7 HA SER 7 -7.826 -17.009 2.217 54 HB2 SER 7 2HB SER 7 -7.004 -16.779 -0.294 55 HB3 SER 7 3HB SER 7 -6.768 -18.520 -0.133 56 HG SER 7 HG SER 7 -8.825 -18.631 -0.524 57 H ASN 8 H ASN 8 -8.714 -19.128 2.579 58 HA ASN 8 HA ASN 8 -6.791 -20.885 3.887 59 HB2 ASN 8 2HB ASN 8 -8.908 -22.048 4.692 60 HB3 ASN 8 3HB ASN 8 -8.671 -20.394 5.250 61 HD21 ASN 8 1HD2 ASN 8 -10.650 -19.605 5.471 62 HD22 ASN 8 2HD2 ASN 8 -11.873 -19.609 4.250 63 H LYS 9 H LYS 9 -6.407 -22.984 3.320 64 HA LYS 9 HA LYS 9 -6.908 -23.715 0.604 65 HB2 LYS 9 2HB LYS 9 -5.791 -25.438 2.822 66 HB3 LYS 9 3HB LYS 9 -5.624 -25.708 1.092 67 HG2 LYS 9 2HG LYS 9 -4.416 -23.472 1.017 68 HG3 LYS 9 3HG LYS 9 -4.347 -23.580 2.778 69 HD2 LYS 9 2HD LYS 9 -3.462 -25.952 1.234 70 HD3 LYS 9 3HD LYS 9 -2.416 -24.531 1.202 71 HE2 LYS 9 2HE LYS 9 -1.635 -25.056 3.212 72 HE3 LYS 9 3HE LYS 9 -3.262 -24.944 3.881 73 HZ1 LYS 9 3HZ LYS 9 -3.506 -27.311 2.920 74 HZ2 LYS 9 1HZ LYS 9 -2.661 -27.097 4.370 75 HZ3 LYS 9 2HZ LYS 9 -1.815 -27.321 2.923 76 H THR 10 H THR 10 -7.802 -25.272 3.689 77 HA THR 10 HA THR 10 -10.287 -26.187 2.419 78 HB THR 10 HB THR 10 -10.097 -28.398 3.312 79 HG1 THR 10 HG1 THR 10 -7.512 -27.960 4.317 80 HG21 THR 10 3HG2 THR 10 -8.277 -29.278 2.051 81 HG22 THR 10 1HG2 THR 10 -7.384 -27.762 2.160 82 HG23 THR 10 2HG2 THR 10 -8.853 -27.852 1.188 83 H GLY 11 H GLY 11 -8.552 -26.188 5.544 84 HA2 GLY 11 2HA GLY 11 -10.988 -25.079 6.776 85 HA3 GLY 11 3HA GLY 11 -10.192 -26.470 7.496 86 H ARG 12 H ARG 12 -7.820 -24.602 6.177 87 HA ARG 12 HA ARG 12 -7.458 -23.063 8.663 88 HB2 ARG 12 2HB ARG 12 -5.313 -24.465 7.057 89 HB3 ARG 12 3HB ARG 12 -5.035 -23.461 8.473 90 HG2 ARG 12 2HG ARG 12 -6.848 -25.821 8.672 91 HG3 ARG 12 3HG ARG 12 -5.098 -26.049 8.695 92 HD2 ARG 12 2HD ARG 12 -5.452 -23.980 10.457 93 HD3 ARG 12 3HD ARG 12 -6.885 -24.968 10.740 94 HE ARG 12 HE ARG 12 -4.891 -26.783 10.773 95 HH11 ARG 12 1HH1 ARG 12 -5.360 -23.746 12.410 96 HH12 ARG 12 2HH1 ARG 12 -4.452 -24.212 13.810 97 HH21 ARG 12 1HH2 ARG 12 -3.693 -27.407 12.611 98 HH22 ARG 12 2HH2 ARG 12 -3.503 -26.294 13.923 99 H PHE 13 H PHE 13 -6.833 -20.975 8.463 100 HA PHE 13 HA PHE 13 -6.911 -19.825 5.808 101 HB2 PHE 13 2HB PHE 13 -8.099 -18.471 7.251 102 HB3 PHE 13 3HB PHE 13 -7.001 -18.762 8.596 103 HD1 PHE 13 HD1 PHE 13 -4.928 -17.503 8.806 104 HD2 PHE 13 HD2 PHE 13 -7.682 -16.731 5.654 105 HE1 PHE 13 HE1 PHE 13 -3.809 -15.358 8.358 106 HE2 PHE 13 HE2 PHE 13 -6.567 -14.586 5.200 107 HZ PHE 13 HZ PHE 13 -4.627 -13.897 6.552 108 H LEU 14 H LEU 14 -5.254 -18.824 4.747 109 HA LEU 14 HA LEU 14 -2.591 -19.005 5.996 110 HB2 LEU 14 2HB LEU 14 -3.558 -19.811 3.311 111 HB3 LEU 14 3HB LEU 14 -1.949 -19.097 3.412 112 HG LEU 14 HG LEU 14 -1.819 -21.519 3.435 113 HD11 LEU 14 1HD1 LEU 14 -0.231 -20.125 4.775 114 HD12 LEU 14 2HD1 LEU 14 -0.408 -21.788 5.334 115 HD13 LEU 14 3HD1 LEU 14 -1.216 -20.478 6.195 116 HD21 LEU 14 3HD2 LEU 14 -4.155 -21.632 4.617 117 HD22 LEU 14 1HD2 LEU 14 -3.178 -21.645 6.085 118 HD23 LEU 14 2HD2 LEU 14 -2.958 -22.903 4.869 119 H ALA 15 H ALA 15 -1.387 -17.204 6.015 120 HA ALA 15 HA ALA 15 -2.429 -14.859 4.570 121 HB1 ALA 15 1HB ALA 15 -1.734 -13.489 6.293 122 HB2 ALA 15 2HB ALA 15 -2.237 -14.939 7.162 123 HB3 ALA 15 3HB ALA 15 -0.525 -14.639 6.862 124 H THR 16 H THR 16 -1.289 -14.199 2.883 125 HA THR 16 HA THR 16 1.633 -14.490 2.927 126 HB THR 16 HB THR 16 0.127 -14.970 0.375 127 HG1 THR 16 HG1 THR 16 0.711 -16.851 2.429 128 HG21 THR 16 3HG2 THR 16 2.433 -16.547 0.572 129 HG22 THR 16 1HG2 THR 16 2.875 -14.979 1.246 130 HG23 THR 16 2HG2 THR 16 2.220 -15.083 -0.388 131 H GLU 17 H GLU 17 2.764 -13.027 1.519 132 HA GLU 17 HA GLU 17 1.242 -10.559 1.054 133 HB2 GLU 17 2HB GLU 17 3.061 -10.164 2.529 134 HB3 GLU 17 3HB GLU 17 4.172 -11.083 1.522 135 HG2 GLU 17 2HG GLU 17 2.872 -8.679 0.360 136 HG3 GLU 17 3HG GLU 17 4.169 -8.455 1.532 137 H ILE 18 H ILE 18 1.416 -9.425 -0.889 138 HA ILE 18 HA ILE 18 2.702 -10.856 -3.114 139 HB ILE 18 HB ILE 18 -0.024 -9.563 -3.237 140 HG12 ILE 18 2HG1 ILE 18 -0.046 -11.687 -1.992 141 HG13 ILE 18 3HG1 ILE 18 -0.884 -11.837 -3.533 142 HG21 ILE 18 1HG2 ILE 18 1.880 -10.189 -5.260 143 HG22 ILE 18 2HG2 ILE 18 0.487 -11.254 -5.443 144 HG23 ILE 18 3HG2 ILE 18 0.265 -9.505 -5.436 145 HD11 ILE 18 3HD1 ILE 18 1.837 -12.532 -3.933 146 HD12 ILE 18 1HD1 ILE 18 1.238 -13.400 -2.520 147 HD13 ILE 18 2HD1 ILE 18 0.402 -13.549 -4.066 148 H VAL 19 H VAL 19 4.212 -9.583 -3.942 149 HA VAL 19 HA VAL 19 4.673 -6.935 -3.437 150 HB VAL 19 HB VAL 19 5.279 -8.279 -6.073 151 HG11 VAL 19 1HG1 VAL 19 5.815 -6.050 -6.378 152 HG12 VAL 19 2HG1 VAL 19 6.291 -5.826 -4.694 153 HG13 VAL 19 3HG1 VAL 19 7.339 -6.720 -5.796 154 HG21 VAL 19 3HG2 VAL 19 6.236 -9.762 -4.601 155 HG22 VAL 19 1HG2 VAL 19 7.551 -8.603 -4.801 156 HG23 VAL 19 2HG2 VAL 19 6.519 -8.529 -3.372 157 H ASP 20 H ASP 20 4.296 -4.984 -4.545 158 HA ASP 20 HA ASP 20 1.754 -4.373 -5.281 159 HB2 ASP 20 2HB ASP 20 3.699 -2.779 -4.909 160 HB3 ASP 20 3HB ASP 20 4.138 -3.065 -6.591 161 H PHE 21 H PHE 21 0.693 -5.770 -6.621 162 HA PHE 21 HA PHE 21 1.766 -6.102 -9.341 163 HB2 PHE 21 2HB PHE 21 0.145 -7.845 -7.558 164 HB3 PHE 21 3HB PHE 21 -0.191 -7.926 -9.284 165 HD1 PHE 21 HD1 PHE 21 3.146 -7.222 -7.929 166 HD2 PHE 21 HD2 PHE 21 0.556 -10.178 -9.564 167 HE1 PHE 21 HE1 PHE 21 5.065 -8.733 -8.227 168 HE2 PHE 21 HE2 PHE 21 2.470 -11.694 -9.864 169 HZ PHE 21 HZ PHE 21 4.728 -10.973 -9.195 170 H THR 22 H THR 22 -0.162 -6.528 -10.950 171 HA THR 22 HA THR 22 -1.887 -4.170 -10.743 172 HB THR 22 HB THR 22 -2.151 -4.245 -13.097 173 HG1 THR 22 HG1 THR 22 -1.540 -6.035 -14.328 174 HG21 THR 22 3HG2 THR 22 0.018 -3.397 -12.445 175 HG22 THR 22 1HG2 THR 22 0.182 -4.319 -13.939 176 HG23 THR 22 2HG2 THR 22 0.682 -5.030 -12.404 177 H GLN 23 H GLN 23 -4.028 -4.601 -12.142 178 HA GLN 23 HA GLN 23 -5.620 -6.318 -10.553 179 HB2 GLN 23 2HB GLN 23 -6.351 -5.135 -13.233 180 HB3 GLN 23 3HB GLN 23 -7.454 -5.670 -11.973 181 HG2 GLN 23 2HG GLN 23 -6.585 -3.890 -10.503 182 HG3 GLN 23 3HG GLN 23 -5.571 -3.327 -11.831 183 HE21 GLN 23 1HE2 GLN 23 -6.576 -1.316 -11.847 184 HE22 GLN 23 2HE2 GLN 23 -8.170 -1.091 -12.473 185 H ASP 24 H ASP 24 -3.742 -6.844 -13.362 186 HA ASP 24 HA ASP 24 -5.114 -8.901 -14.640 187 HB2 ASP 24 2HB ASP 24 -2.170 -8.314 -14.362 188 HB3 ASP 24 3HB ASP 24 -2.763 -9.670 -15.317 189 H ASP 25 H ASP 25 -2.736 -9.089 -12.005 190 HA ASP 25 HA ASP 25 -3.028 -11.939 -11.750 191 HB2 ASP 25 2HB ASP 25 -1.444 -9.813 -10.402 192 HB3 ASP 25 3HB ASP 25 -1.752 -11.288 -9.489 193 H LEU 26 H LEU 26 -4.857 -9.312 -10.771 194 HA LEU 26 HA LEU 26 -5.705 -10.061 -8.201 195 HB2 LEU 26 2HB LEU 26 -6.113 -7.899 -9.615 196 HB3 LEU 26 3HB LEU 26 -7.565 -8.751 -10.135 197 HG LEU 26 HG LEU 26 -8.054 -7.209 -8.319 198 HD11 LEU 26 1HD1 LEU 26 -9.363 -9.256 -8.490 199 HD12 LEU 26 2HD1 LEU 26 -9.166 -8.771 -6.807 200 HD13 LEU 26 3HD1 LEU 26 -8.203 -10.096 -7.461 201 HD21 LEU 26 3HD2 LEU 26 -6.957 -8.419 -6.064 202 HD22 LEU 26 1HD2 LEU 26 -6.506 -6.864 -6.763 203 HD23 LEU 26 2HD2 LEU 26 -5.629 -8.324 -7.222 204 H ASP 27 H ASP 27 -6.314 -12.130 -7.874 205 HA ASP 27 HA ASP 27 -7.627 -13.825 -9.622 206 HB2 ASP 27 2HB ASP 27 -8.071 -13.884 -6.640 207 HB3 ASP 27 3HB ASP 27 -8.054 -15.240 -7.764 208 H GLU 28 H GLU 28 -9.893 -14.783 -9.080 209 HA GLU 28 HA GLU 28 -11.801 -12.783 -9.689 210 HB2 GLU 28 2HB GLU 28 -11.971 -15.706 -9.029 211 HB3 GLU 28 3HB GLU 28 -13.434 -14.743 -9.181 212 HG2 GLU 28 2HG GLU 28 -13.373 -14.996 -11.371 213 HG3 GLU 28 3HG GLU 28 -11.811 -14.182 -11.426 214 H ASN 29 H ASN 29 -11.772 -14.992 -6.886 215 HA ASN 29 HA ASN 29 -12.815 -12.778 -5.249 216 HB2 ASN 29 2HB ASN 29 -13.648 -15.683 -5.089 217 HB3 ASN 29 3HB ASN 29 -14.216 -14.392 -4.034 218 HD21 ASN 29 1HD2 ASN 29 -14.376 -15.790 -7.201 219 HD22 ASN 29 2HD2 ASN 29 -15.750 -14.898 -7.750 220 H ASP 30 H ASP 30 -11.048 -12.247 -4.091 221 HA ASP 30 HA ASP 30 -10.030 -14.235 -2.226 222 HB2 ASP 30 2HB ASP 30 -8.409 -12.966 -4.389 223 HB3 ASP 30 3HB ASP 30 -7.649 -13.235 -2.823 224 H VAL 31 H VAL 31 -8.532 -13.192 -0.602 225 HA VAL 31 HA VAL 31 -9.613 -10.552 0.085 226 HB VAL 31 HB VAL 31 -8.091 -12.453 1.870 227 HG11 VAL 31 1HG1 VAL 31 -9.696 -9.962 2.421 228 HG12 VAL 31 2HG1 VAL 31 -9.135 -11.075 3.671 229 HG13 VAL 31 3HG1 VAL 31 -7.968 -10.203 2.676 230 HG21 VAL 31 3HG2 VAL 31 -10.780 -12.307 2.660 231 HG22 VAL 31 1HG2 VAL 31 -10.795 -12.580 0.918 232 HG23 VAL 31 2HG2 VAL 31 -9.932 -13.695 1.977 233 H TYR 32 H TYR 32 -8.387 -8.887 -0.487 234 HA TYR 32 HA TYR 32 -5.459 -9.187 -0.373 235 HB2 TYR 32 2HB TYR 32 -6.983 -7.128 -1.973 236 HB3 TYR 32 3HB TYR 32 -5.275 -7.536 -2.097 237 HD1 TYR 32 HD1 TYR 32 -8.699 -8.750 -2.780 238 HD2 TYR 32 HD2 TYR 32 -4.540 -9.342 -3.457 239 HE1 TYR 32 HE1 TYR 32 -9.224 -10.377 -4.548 240 HE2 TYR 32 HE2 TYR 32 -5.054 -10.970 -5.228 241 HH TYR 32 HH TYR 32 -6.784 -12.364 -6.000 242 H LEU 33 H LEU 33 -4.299 -7.074 0.048 243 HA LEU 33 HA LEU 33 -5.769 -5.272 1.817 244 HB2 LEU 33 2HB LEU 33 -3.148 -6.484 2.656 245 HB3 LEU 33 3HB LEU 33 -4.228 -5.471 3.612 246 HG LEU 33 HG LEU 33 -5.106 -8.172 2.651 247 HD11 LEU 33 1HD1 LEU 33 -4.042 -7.965 5.389 248 HD12 LEU 33 2HD1 LEU 33 -2.844 -7.965 4.095 249 HD13 LEU 33 3HD1 LEU 33 -3.983 -9.303 4.241 250 HD21 LEU 33 3HD2 LEU 33 -6.548 -6.266 3.770 251 HD22 LEU 33 1HD2 LEU 33 -5.848 -6.928 5.248 252 HD23 LEU 33 2HD2 LEU 33 -6.792 -7.965 4.178 253 H LEU 34 H LEU 34 -5.443 -3.345 0.929 254 HA LEU 34 HA LEU 34 -2.746 -2.697 -0.066 255 HB2 LEU 34 2HB LEU 34 -4.338 -2.694 -1.861 256 HB3 LEU 34 3HB LEU 34 -5.444 -1.678 -0.937 257 HG LEU 34 HG LEU 34 -3.496 0.051 -1.025 258 HD11 LEU 34 1HD1 LEU 34 -2.871 -1.550 -3.496 259 HD12 LEU 34 2HD1 LEU 34 -1.913 -1.619 -2.017 260 HD13 LEU 34 3HD1 LEU 34 -2.052 -0.103 -2.907 261 HD21 LEU 34 3HD2 LEU 34 -5.824 -0.262 -2.387 262 HD22 LEU 34 1HD2 LEU 34 -4.658 -0.193 -3.709 263 HD23 LEU 34 2HD2 LEU 34 -4.750 1.129 -2.545 264 H ASP 35 H ASP 35 -1.796 -1.709 1.634 265 HA ASP 35 HA ASP 35 -3.259 0.253 3.203 266 HB2 ASP 35 2HB ASP 35 -0.335 -0.283 3.558 267 HB3 ASP 35 3HB ASP 35 -1.553 0.113 4.768 268 H THR 36 H THR 36 -3.442 2.243 2.427 269 HA THR 36 HA THR 36 -1.238 3.361 0.834 270 HB THR 36 HB THR 36 -2.729 4.643 -0.343 271 HG1 THR 36 HG1 THR 36 -4.957 4.974 0.720 272 HG21 THR 36 3HG2 THR 36 -3.331 2.278 -0.676 273 HG22 THR 36 1HG2 THR 36 -4.722 3.344 -0.869 274 HG23 THR 36 2HG2 THR 36 -4.526 2.411 0.614 275 H TRP 37 H TRP 37 -1.369 5.941 1.025 276 HA TRP 37 HA TRP 37 -0.393 6.548 3.609 277 HB2 TRP 37 2HB TRP 37 0.264 7.688 1.453 278 HB3 TRP 37 3HB TRP 37 -1.277 8.539 1.516 279 HD1 TRP 37 HD1 TRP 37 -0.393 8.426 4.973 280 HE1 TRP 37 HE1 TRP 37 0.880 10.530 5.732 281 HE3 TRP 37 HE3 TRP 37 0.923 10.276 0.392 282 HZ2 TRP 37 HZ2 TRP 37 2.258 12.689 4.546 283 HZ3 TRP 37 HZ3 TRP 37 2.218 12.366 0.292 284 HH2 TRP 37 HH2 TRP 37 2.871 13.546 2.327 285 H ASP 38 H ASP 38 -3.331 7.653 1.917 286 HA ASP 38 HA ASP 38 -4.426 9.057 4.084 287 HB2 ASP 38 2HB ASP 38 -5.772 7.744 1.716 288 HB3 ASP 38 3HB ASP 38 -6.594 8.814 2.848 289 H GLN 39 H GLN 39 -4.970 5.726 2.978 290 HA GLN 39 HA GLN 39 -5.311 4.683 5.556 291 HB2 GLN 39 2HB GLN 39 -7.471 6.111 5.121 292 HB3 GLN 39 3HB GLN 39 -7.955 4.725 4.154 293 HG2 GLN 39 2HG GLN 39 -8.811 4.680 6.473 294 HG3 GLN 39 3HG GLN 39 -7.835 3.275 6.047 295 HE21 GLN 39 1HE2 GLN 39 -6.830 6.533 6.970 296 HE22 GLN 39 2HE2 GLN 39 -5.944 6.054 8.374 297 H ILE 40 H ILE 40 -6.115 2.411 5.515 298 HA ILE 40 HA ILE 40 -5.090 1.091 3.150 299 HB ILE 40 HB ILE 40 -6.205 -0.148 5.668 300 HG12 ILE 40 2HG1 ILE 40 -3.532 -0.510 5.840 301 HG13 ILE 40 3HG1 ILE 40 -3.572 1.042 5.011 302 HG21 ILE 40 1HG2 ILE 40 -6.181 -1.692 3.809 303 HG22 ILE 40 2HG2 ILE 40 -4.503 -1.281 3.453 304 HG23 ILE 40 3HG2 ILE 40 -4.907 -2.120 4.951 305 HD11 ILE 40 3HD1 ILE 40 -4.044 0.424 7.778 306 HD12 ILE 40 1HD1 ILE 40 -3.792 1.985 6.999 307 HD13 ILE 40 2HD1 ILE 40 -5.411 1.290 7.079 308 H PHE 41 H PHE 41 -6.267 0.233 1.565 309 HA PHE 41 HA PHE 41 -9.174 0.339 1.774 310 HB2 PHE 41 2HB PHE 41 -7.209 0.270 -0.456 311 HB3 PHE 41 3HB PHE 41 -8.785 -0.454 -0.756 312 HD1 PHE 41 HD1 PHE 41 -7.468 2.631 0.888 313 HD2 PHE 41 HD2 PHE 41 -10.292 0.914 -1.794 314 HE1 PHE 41 HE1 PHE 41 -8.403 4.864 0.447 315 HE2 PHE 41 HE2 PHE 41 -11.231 3.144 -2.239 316 HZ PHE 41 HZ PHE 41 -10.286 5.123 -1.118 317 H PHE 42 H PHE 42 -10.208 -1.396 2.485 318 HA PHE 42 HA PHE 42 -8.997 -4.032 2.222 319 HB2 PHE 42 2HB PHE 42 -11.190 -2.860 3.872 320 HB3 PHE 42 3HB PHE 42 -11.223 -4.591 3.553 321 HD1 PHE 42 HD2 PHE 42 -8.036 -2.845 3.797 322 HD2 PHE 42 HD1 PHE 42 -10.965 -5.090 5.919 323 HE1 PHE 42 HE2 PHE 42 -6.429 -3.209 5.624 324 HE2 PHE 42 HE1 PHE 42 -9.362 -5.457 7.749 325 HZ PHE 42 HZ PHE 42 -7.091 -4.517 7.603 326 H TRP 43 H TRP 43 -9.321 -4.981 0.311 327 HA TRP 43 HA TRP 43 -11.917 -4.688 -1.014 328 HB2 TRP 43 2HB TRP 43 -9.156 -5.265 -1.921 329 HB3 TRP 43 3HB TRP 43 -10.447 -6.088 -2.793 330 HD1 TRP 43 HD1 TRP 43 -10.401 -2.438 -1.476 331 HE1 TRP 43 HE1 TRP 43 -10.849 -0.873 -3.469 332 HE3 TRP 43 HE3 TRP 43 -10.567 -5.918 -5.218 333 HZ2 TRP 43 HZ2 TRP 43 -11.225 -1.085 -6.258 334 HZ3 TRP 43 HZ3 TRP 43 -10.976 -5.154 -7.521 335 HH2 TRP 43 HH2 TRP 43 -11.299 -2.787 -8.028 336 H ILE 44 H ILE 44 -13.386 -6.191 -0.590 337 HA ILE 44 HA ILE 44 -12.483 -8.976 -0.248 338 HB ILE 44 HB ILE 44 -14.739 -7.573 1.186 339 HG12 ILE 44 2HG1 ILE 44 -13.169 -8.795 3.067 340 HG13 ILE 44 3HG1 ILE 44 -11.974 -8.317 1.866 341 HG21 ILE 44 1HG2 ILE 44 -14.090 -10.465 0.855 342 HG22 ILE 44 2HG2 ILE 44 -14.789 -9.901 2.372 343 HG23 ILE 44 3HG2 ILE 44 -15.657 -9.656 0.857 344 HD11 ILE 44 3HD1 ILE 44 -11.986 -6.282 2.716 345 HD12 ILE 44 1HD1 ILE 44 -13.677 -6.109 2.245 346 HD13 ILE 44 2HD1 ILE 44 -13.266 -6.732 3.843 347 H GLY 45 H GLY 45 -13.248 -10.327 -1.730 348 HA2 GLY 45 2HA GLY 45 -15.307 -9.451 -3.565 349 HA3 GLY 45 3HA GLY 45 -14.389 -10.946 -3.660 350 H LYS 46 H LYS 46 -16.500 -11.863 -4.233 351 HA LYS 46 HA LYS 46 -18.380 -12.134 -2.015 352 HB2 LYS 46 2HB LYS 46 -18.489 -12.632 -4.954 353 HB3 LYS 46 3HB LYS 46 -19.569 -13.553 -3.916 354 HG2 LYS 46 2HG LYS 46 -19.683 -10.808 -3.156 355 HG3 LYS 46 3HG LYS 46 -19.902 -10.935 -4.903 356 HD2 LYS 46 2HD LYS 46 -21.858 -12.094 -4.711 357 HD3 LYS 46 3HD LYS 46 -21.384 -12.854 -3.190 358 HE2 LYS 46 2HE LYS 46 -22.037 -9.926 -3.427 359 HE3 LYS 46 3HE LYS 46 -23.250 -11.151 -3.058 360 HZ1 LYS 46 3HZ LYS 46 -22.258 -11.632 -1.029 361 HZ2 LYS 46 1HZ LYS 46 -22.135 -9.947 -1.124 362 HZ3 LYS 46 2HZ LYS 46 -20.785 -10.914 -1.450 363 H GLY 47 H GLY 47 -16.068 -13.993 -3.872 364 HA2 GLY 47 2HA GLY 47 -16.888 -16.538 -2.814 365 HA3 GLY 47 3HA GLY 47 -15.436 -16.215 -3.749 366 H ALA 48 H ALA 48 -14.523 -14.102 -1.943 367 HA ALA 48 HA ALA 48 -12.806 -15.495 -0.317 368 HB1 ALA 48 1HB ALA 48 -12.634 -13.359 1.015 369 HB2 ALA 48 2HB ALA 48 -12.377 -13.204 -0.724 370 HB3 ALA 48 3HB ALA 48 -13.916 -12.716 -0.013 371 H ASN 49 H ASN 49 -12.997 -16.638 1.493 372 HA ASN 49 HA ASN 49 -15.466 -17.163 2.711 373 HB2 ASN 49 2HB ASN 49 -12.624 -17.799 3.307 374 HB3 ASN 49 3HB ASN 49 -13.774 -17.968 4.630 375 HD21 ASN 49 1HD2 ASN 49 -12.347 -19.511 2.087 376 HD22 ASN 49 2HD2 ASN 49 -13.470 -20.808 1.880 377 H GLU 50 H GLU 50 -15.970 -16.827 5.042 378 HA GLU 50 HA GLU 50 -15.898 -14.039 5.648 379 HB2 GLU 50 2HB GLU 50 -17.025 -16.468 6.996 380 HB3 GLU 50 3HB GLU 50 -16.955 -14.939 7.862 381 HG2 GLU 50 2HG GLU 50 -18.153 -14.966 5.145 382 HG3 GLU 50 3HG GLU 50 -19.076 -15.652 6.480 383 H SER 51 H SER 51 -14.144 -16.861 6.741 384 HA SER 51 HA SER 51 -12.950 -15.592 9.010 385 HB2 SER 51 2HB SER 51 -12.452 -18.164 7.532 386 HB3 SER 51 3HB SER 51 -11.338 -17.616 8.785 387 HG SER 51 HG SER 51 -12.756 -18.742 9.936 388 H GLU 52 H GLU 52 -11.893 -16.303 5.702 389 HA GLU 52 HA GLU 52 -9.256 -15.495 5.855 390 HB2 GLU 52 2HB GLU 52 -11.167 -15.088 3.548 391 HB3 GLU 52 3HB GLU 52 -9.413 -15.019 3.442 392 HG2 GLU 52 2HG GLU 52 -9.234 -17.347 4.004 393 HG3 GLU 52 3HG GLU 52 -10.969 -17.447 4.299 394 H LYS 53 H LYS 53 -12.105 -13.499 5.120 395 HA LYS 53 HA LYS 53 -10.731 -11.067 4.814 396 HB2 LYS 53 2HB LYS 53 -12.902 -11.030 3.987 397 HB3 LYS 53 3HB LYS 53 -13.568 -11.813 5.414 398 HG2 LYS 53 2HG LYS 53 -12.371 -9.129 5.775 399 HG3 LYS 53 3HG LYS 53 -13.905 -9.230 4.909 400 HD2 LYS 53 2HD LYS 53 -15.051 -9.714 6.775 401 HD3 LYS 53 3HD LYS 53 -13.825 -10.851 7.340 402 HE2 LYS 53 2HE LYS 53 -14.157 -8.872 8.823 403 HE3 LYS 53 3HE LYS 53 -12.503 -9.080 8.249 404 HZ1 LYS 53 3HZ LYS 53 -12.616 -7.229 6.964 405 HZ2 LYS 53 1HZ LYS 53 -13.721 -6.764 8.157 406 HZ3 LYS 53 2HZ LYS 53 -14.277 -7.368 6.679 407 H GLU 54 H GLU 54 -11.810 -12.798 7.637 408 HA GLU 54 HA GLU 54 -11.533 -10.584 9.440 409 HB2 GLU 54 2HB GLU 54 -11.705 -13.551 9.996 410 HB3 GLU 54 3HB GLU 54 -11.819 -12.282 11.207 411 HG2 GLU 54 2HG GLU 54 -13.702 -11.884 9.046 412 HG3 GLU 54 3HG GLU 54 -13.909 -13.449 9.830 413 H ALA 55 H ALA 55 -9.682 -13.600 8.986 414 HA ALA 55 HA ALA 55 -7.568 -12.908 10.701 415 HB1 ALA 55 1HB ALA 55 -6.523 -14.835 9.988 416 HB2 ALA 55 2HB ALA 55 -8.213 -15.190 9.626 417 HB3 ALA 55 3HB ALA 55 -7.124 -14.677 8.337 418 H ALA 56 H ALA 56 -7.837 -12.667 7.159 419 HA ALA 56 HA ALA 56 -5.304 -11.572 6.688 420 HB1 ALA 56 1HB ALA 56 -6.000 -11.200 4.516 421 HB2 ALA 56 2HB ALA 56 -7.081 -12.494 5.037 422 HB3 ALA 56 3HB ALA 56 -7.655 -10.827 5.000 423 H ALA 57 H ALA 57 -8.219 -10.146 7.900 424 HA ALA 57 HA ALA 57 -7.549 -7.431 7.317 425 HB1 ALA 57 1HB ALA 57 -9.306 -7.149 9.300 426 HB2 ALA 57 2HB ALA 57 -9.789 -7.564 7.655 427 HB3 ALA 57 3HB ALA 57 -9.643 -8.828 8.876 428 H GLU 58 H GLU 58 -7.230 -9.511 10.170 429 HA GLU 58 HA GLU 58 -6.093 -7.445 11.795 430 HB2 GLU 58 2HB GLU 58 -6.369 -10.426 12.113 431 HB3 GLU 58 3HB GLU 58 -5.496 -9.448 13.284 432 HG2 GLU 58 2HG GLU 58 -8.002 -8.213 12.809 433 HG3 GLU 58 3HG GLU 58 -8.280 -9.929 13.099 434 H THR 59 H THR 59 -4.847 -10.069 9.814 435 HA THR 59 HA THR 59 -2.189 -10.074 10.647 436 HB THR 59 HB THR 59 -3.290 -10.603 7.881 437 HG1 THR 59 HG1 THR 59 -3.968 -11.945 9.760 438 HG21 THR 59 3HG2 THR 59 -0.956 -10.216 7.634 439 HG22 THR 59 1HG2 THR 59 -1.175 -11.965 7.647 440 HG23 THR 59 2HG2 THR 59 -0.581 -11.140 9.088 441 H ALA 60 H ALA 60 -3.889 -7.917 8.469 442 HA ALA 60 HA ALA 60 -1.604 -6.658 7.359 443 HB1 ALA 60 1HB ALA 60 -3.446 -4.755 7.070 444 HB2 ALA 60 2HB ALA 60 -3.408 -6.201 6.061 445 HB3 ALA 60 3HB ALA 60 -4.513 -6.111 7.432 446 H GLN 61 H GLN 61 -3.658 -5.926 10.147 447 HA GLN 61 HA GLN 61 -2.708 -3.432 10.837 448 HB2 GLN 61 2HB GLN 61 -3.861 -5.712 12.359 449 HB3 GLN 61 3HB GLN 61 -3.090 -4.431 13.284 450 HG2 GLN 61 2HG GLN 61 -4.619 -2.945 11.664 451 HG3 GLN 61 3HG GLN 61 -5.598 -4.410 11.737 452 HE21 GLN 61 1HE2 GLN 61 -5.667 -5.304 14.105 453 HE22 GLN 61 2HE2 GLN 61 -6.102 -4.131 15.296 454 H GLU 62 H GLU 62 -1.198 -6.557 11.260 455 HA GLU 62 HA GLU 62 0.761 -5.904 13.135 456 HB2 GLU 62 2HB GLU 62 0.746 -7.889 10.866 457 HB3 GLU 62 3HB GLU 62 2.089 -7.757 11.994 458 HG2 GLU 62 2HG GLU 62 -0.264 -7.930 13.535 459 HG3 GLU 62 3HG GLU 62 -0.370 -9.165 12.281 460 H TYR 63 H TYR 63 0.707 -5.482 9.633 461 HA TYR 63 HA TYR 63 3.408 -4.580 9.444 462 HB2 TYR 63 2HB TYR 63 2.415 -5.526 7.485 463 HB3 TYR 63 3HB TYR 63 1.059 -4.406 7.554 464 HD1 TYR 63 HD2 TYR 63 1.357 -2.054 6.899 465 HD2 TYR 63 HD1 TYR 63 4.521 -4.874 6.529 466 HE1 TYR 63 HE2 TYR 63 2.551 -0.509 5.403 467 HE2 TYR 63 HE1 TYR 63 5.724 -3.337 5.033 468 HH TYR 63 HH TYR 63 4.461 -0.968 3.428 469 H LEU 64 H LEU 64 0.265 -2.991 9.691 470 HA LEU 64 HA LEU 64 0.995 -0.367 9.199 471 HB2 LEU 64 2HB LEU 64 -1.099 -1.638 10.902 472 HB3 LEU 64 3HB LEU 64 -0.861 0.106 10.983 473 HG LEU 64 HG LEU 64 -2.696 -0.730 9.447 474 HD11 LEU 64 1HD1 LEU 64 -1.528 0.766 7.497 475 HD12 LEU 64 2HD1 LEU 64 -0.605 1.250 8.919 476 HD13 LEU 64 3HD1 LEU 64 -2.361 1.417 8.908 477 HD21 LEU 64 3HD2 LEU 64 -0.295 -1.591 7.840 478 HD22 LEU 64 1HD2 LEU 64 -1.927 -1.430 7.192 479 HD23 LEU 64 2HD2 LEU 64 -1.593 -2.616 8.453 480 H ARG 65 H ARG 65 1.433 -2.302 12.092 481 HA ARG 65 HA ARG 65 2.020 -0.358 13.965 482 HB2 ARG 65 2HB ARG 65 3.374 -3.044 13.657 483 HB3 ARG 65 3HB ARG 65 3.349 -2.065 15.117 484 HG2 ARG 65 2HG ARG 65 0.711 -2.279 14.670 485 HG3 ARG 65 3HG ARG 65 1.268 -3.795 13.958 486 HD2 ARG 65 2HD ARG 65 2.210 -2.946 16.670 487 HD3 ARG 65 3HD ARG 65 0.641 -3.726 16.472 488 HE ARG 65 HE ARG 65 2.371 -5.366 15.157 489 HH11 ARG 65 1HH1 ARG 65 2.216 -4.054 18.377 490 HH12 ARG 65 2HH1 ARG 65 3.014 -5.408 19.108 491 HH21 ARG 65 1HH2 ARG 65 3.422 -7.154 16.106 492 HH22 ARG 65 2HH2 ARG 65 3.700 -7.170 17.815 493 H SER 66 H SER 66 3.932 -1.492 11.286 494 HA SER 66 HA SER 66 6.421 -0.422 12.167 495 HB2 SER 66 2HB SER 66 7.280 -1.098 10.103 496 HB3 SER 66 3HB SER 66 5.944 -2.223 10.345 497 HG SER 66 HG SER 66 5.689 -1.458 8.310 498 H HIS 67 H HIS 67 3.795 0.774 10.140 499 HA HIS 67 HA HIS 67 5.012 3.073 9.137 500 HB2 HIS 67 2HB HIS 67 2.200 2.222 9.627 501 HB3 HIS 67 3HB HIS 67 2.491 3.930 9.308 502 HD1 HIS 67 HD1 HIS 67 1.486 4.020 6.993 503 HD2 HIS 67 HD2 HIS 67 4.384 1.070 7.386 504 HE1 HIS 67 HE1 HIS 67 1.918 3.188 4.659 505 HA PRO 68 HA PRO 68 5.367 5.917 12.456 506 HB2 PRO 68 2HB PRO 68 4.629 8.262 11.303 507 HB3 PRO 68 3HB PRO 68 6.155 7.449 10.936 508 HG2 PRO 68 2HG PRO 68 3.587 7.441 9.398 509 HG3 PRO 68 3HG PRO 68 5.249 7.595 8.799 510 HD2 PRO 68 2HD PRO 68 3.872 5.266 8.695 511 HD3 PRO 68 3HD PRO 68 5.633 5.325 8.913 512 H GLY 69 H GLY 69 3.962 8.193 13.057 513 HA2 GLY 69 2HA GLY 69 2.006 9.001 13.973 514 HA3 GLY 69 3HA GLY 69 1.133 7.785 13.052 515 H SER 70 H SER 70 0.369 8.458 15.617 516 HA SER 70 HA SER 70 1.332 6.239 17.284 517 HB2 SER 70 2HB SER 70 -0.239 8.720 18.023 518 HB3 SER 70 3HB SER 70 0.223 7.451 19.156 519 HG SER 70 HG SER 70 1.638 9.534 18.480 520 H ARG 71 H ARG 71 -1.795 7.924 17.124 521 HA ARG 71 HA ARG 71 -3.139 5.334 17.296 522 HB2 ARG 71 2HB ARG 71 -3.911 8.155 17.898 523 HB3 ARG 71 3HB ARG 71 -5.180 7.006 17.498 524 HG2 ARG 71 2HG ARG 71 -4.869 5.783 19.408 525 HG3 ARG 71 3HG ARG 71 -3.177 6.259 19.566 526 HD2 ARG 71 2HD ARG 71 -5.498 8.138 19.964 527 HD3 ARG 71 3HD ARG 71 -4.719 7.251 21.274 528 HE ARG 71 HE ARG 71 -2.679 8.558 20.007 529 HH11 ARG 71 1HH1 ARG 71 -5.675 9.505 21.505 530 HH12 ARG 71 2HH1 ARG 71 -5.091 11.062 21.992 531 HH21 ARG 71 1HH2 ARG 71 -1.898 10.606 20.641 532 HH22 ARG 71 2HH2 ARG 71 -2.943 11.687 21.499 533 H ASP 72 H ASP 72 -1.874 6.515 14.824 534 HA ASP 72 HA ASP 72 -3.809 7.370 13.004 535 HB2 ASP 72 2HB ASP 72 -1.146 6.029 12.741 536 HB3 ASP 72 3HB ASP 72 -2.161 6.205 11.313 537 H LEU 73 H LEU 73 -3.223 4.254 14.339 538 HA LEU 73 HA LEU 73 -4.425 2.708 12.270 539 HB2 LEU 73 2HB LEU 73 -3.937 2.116 15.184 540 HB3 LEU 73 3HB LEU 73 -4.540 0.936 14.022 541 HG LEU 73 HG LEU 73 -2.063 2.179 13.145 542 HD11 LEU 73 1HD1 LEU 73 -0.967 2.216 15.081 543 HD12 LEU 73 2HD1 LEU 73 -1.039 0.454 15.040 544 HD13 LEU 73 3HD1 LEU 73 -2.263 1.366 15.923 545 HD21 LEU 73 3HD2 LEU 73 -2.976 0.192 12.120 546 HD22 LEU 73 1HD2 LEU 73 -2.936 -0.661 13.663 547 HD23 LEU 73 2HD2 LEU 73 -1.429 -0.192 12.875 548 H ASP 74 H ASP 74 -5.632 4.549 14.939 549 HA ASP 74 HA ASP 74 -8.087 3.345 15.414 550 HB2 ASP 74 2HB ASP 74 -7.233 6.235 15.528 551 HB3 ASP 74 3HB ASP 74 -8.841 5.709 16.016 552 H THR 75 H THR 75 -7.071 5.430 12.793 553 HA THR 75 HA THR 75 -9.485 6.241 11.734 554 HB THR 75 HB THR 75 -7.406 5.302 9.815 555 HG1 THR 75 HG1 THR 75 -7.050 7.414 11.696 556 HG21 THR 75 3HG2 THR 75 -7.860 7.810 9.135 557 HG22 THR 75 1HG2 THR 75 -9.318 7.572 10.096 558 HG23 THR 75 2HG2 THR 75 -8.998 6.533 8.707 559 HA PRO 76 HA PRO 76 -11.476 2.451 10.603 560 HB2 PRO 76 2HB PRO 76 -13.464 3.546 9.113 561 HB3 PRO 76 3HB PRO 76 -13.449 3.595 10.880 562 HG2 PRO 76 2HG PRO 76 -12.649 5.711 8.919 563 HG3 PRO 76 3HG PRO 76 -13.593 5.869 10.411 564 HD2 PRO 76 2HD PRO 76 -10.964 6.504 10.276 565 HD3 PRO 76 3HD PRO 76 -11.716 5.857 11.749 566 H ILE 77 H ILE 77 -12.100 1.271 8.645 567 HA ILE 77 HA ILE 77 -10.443 2.062 6.341 568 HB ILE 77 HB ILE 77 -11.185 -0.656 7.397 569 HG12 ILE 77 2HG1 ILE 77 -8.453 -0.238 6.534 570 HG13 ILE 77 3HG1 ILE 77 -8.941 1.001 7.685 571 HG21 ILE 77 1HG2 ILE 77 -10.331 0.131 4.643 572 HG22 ILE 77 2HG2 ILE 77 -9.856 -1.430 5.309 573 HG23 ILE 77 3HG2 ILE 77 -11.564 -1.025 5.145 574 HD11 ILE 77 3HD1 ILE 77 -8.649 -1.930 8.061 575 HD12 ILE 77 1HD1 ILE 77 -8.123 -0.598 9.089 576 HD13 ILE 77 2HD1 ILE 77 -9.826 -1.057 9.041 577 H ILE 78 H ILE 78 -11.278 1.932 4.273 578 HA ILE 78 HA ILE 78 -14.162 2.096 4.095 579 HB ILE 78 HB ILE 78 -11.951 2.542 2.103 580 HG12 ILE 78 2HG1 ILE 78 -13.781 4.699 2.301 581 HG13 ILE 78 3HG1 ILE 78 -13.421 4.177 3.943 582 HG21 ILE 78 1HG2 ILE 78 -13.965 3.372 0.663 583 HG22 ILE 78 2HG2 ILE 78 -13.519 1.666 0.665 584 HG23 ILE 78 3HG2 ILE 78 -14.880 2.223 1.638 585 HD11 ILE 78 3HD1 ILE 78 -11.955 5.988 2.964 586 HD12 ILE 78 1HD1 ILE 78 -11.131 4.607 3.688 587 HD13 ILE 78 2HD1 ILE 78 -11.267 4.733 1.934 588 H VAL 79 H VAL 79 -15.072 0.104 4.267 589 HA VAL 79 HA VAL 79 -14.051 -2.276 3.178 590 HB VAL 79 HB VAL 79 -16.903 -1.567 3.877 591 HG11 VAL 79 1HG1 VAL 79 -17.356 -3.451 2.732 592 HG12 VAL 79 2HG1 VAL 79 -15.682 -4.007 2.780 593 HG13 VAL 79 3HG1 VAL 79 -16.734 -4.251 4.175 594 HG21 VAL 79 3HG2 VAL 79 -15.838 -1.447 5.898 595 HG22 VAL 79 1HG2 VAL 79 -16.177 -3.176 5.840 596 HG23 VAL 79 2HG2 VAL 79 -14.572 -2.578 5.424 597 H VAL 80 H VAL 80 -14.439 -3.366 1.288 598 HA VAL 80 HA VAL 80 -15.991 -1.942 -0.773 599 HB VAL 80 HB VAL 80 -13.449 -3.478 -1.310 600 HG11 VAL 80 1HG1 VAL 80 -13.603 -2.695 -3.519 601 HG12 VAL 80 2HG1 VAL 80 -15.238 -3.217 -3.109 602 HG13 VAL 80 3HG1 VAL 80 -14.831 -1.501 -3.100 603 HG21 VAL 80 3HG2 VAL 80 -12.467 -1.204 -1.735 604 HG22 VAL 80 1HG2 VAL 80 -13.891 -0.521 -0.949 605 HG23 VAL 80 2HG2 VAL 80 -12.801 -1.570 -0.042 606 H LYS 81 H LYS 81 -17.290 -3.162 -2.058 607 HA LYS 81 HA LYS 81 -17.520 -6.000 -1.350 608 HB2 LYS 81 2HB LYS 81 -19.428 -3.914 -2.254 609 HB3 LYS 81 3HB LYS 81 -19.730 -5.554 -2.812 610 HG2 LYS 81 2HG LYS 81 -19.400 -6.131 -0.269 611 HG3 LYS 81 3HG LYS 81 -19.836 -4.433 -0.061 612 HD2 LYS 81 2HD LYS 81 -21.703 -5.334 -1.870 613 HD3 LYS 81 3HD LYS 81 -21.494 -6.719 -0.796 614 HE2 LYS 81 2HE LYS 81 -22.176 -5.518 1.081 615 HE3 LYS 81 3HE LYS 81 -21.883 -3.961 0.309 616 HZ1 LYS 81 3HZ LYS 81 -23.776 -4.302 -1.103 617 HZ2 LYS 81 1HZ LYS 81 -24.256 -4.510 0.506 618 HZ3 LYS 81 2HZ LYS 81 -24.023 -5.858 -0.488 619 H GLN 82 H GLN 82 -18.224 -7.469 -3.152 620 HA GLN 82 HA GLN 82 -16.359 -7.219 -5.326 621 HB2 GLN 82 2HB GLN 82 -17.233 -9.358 -4.027 622 HB3 GLN 82 3HB GLN 82 -18.456 -9.339 -5.289 623 HG2 GLN 82 2HG GLN 82 -15.837 -8.989 -6.418 624 HG3 GLN 82 3HG GLN 82 -15.897 -10.437 -5.415 625 HE21 GLN 82 1HE2 GLN 82 -15.654 -11.712 -7.285 626 HE22 GLN 82 2HE2 GLN 82 -16.980 -11.993 -8.356 627 H GLY 83 H GLY 83 -16.776 -6.027 -7.061 628 HA2 GLY 83 2HA GLY 83 -18.170 -6.053 -9.126 629 HA3 GLY 83 3HA GLY 83 -19.560 -5.952 -8.054 630 H PHE 84 H PHE 84 -16.899 -4.138 -6.987 631 HA PHE 84 HA PHE 84 -17.815 -1.711 -8.345 632 HB2 PHE 84 2HB PHE 84 -17.367 -1.744 -5.364 633 HB3 PHE 84 3HB PHE 84 -18.106 -0.478 -6.339 634 HD1 PHE 84 HD1 PHE 84 -20.376 -0.792 -7.255 635 HD2 PHE 84 HD2 PHE 84 -18.630 -3.580 -4.554 636 HE1 PHE 84 HE1 PHE 84 -22.602 -1.735 -6.794 637 HE2 PHE 84 HE2 PHE 84 -20.852 -4.528 -4.090 638 HZ PHE 84 HZ PHE 84 -22.842 -3.606 -5.211 639 H GLU 85 H GLU 85 -16.054 -0.985 -9.337 640 HA GLU 85 HA GLU 85 -13.508 -1.005 -7.852 641 HB2 GLU 85 2HB GLU 85 -13.375 -2.544 -9.713 642 HB3 GLU 85 3HB GLU 85 -13.981 -1.319 -10.819 643 HG2 GLU 85 2HG GLU 85 -11.987 -0.046 -10.638 644 HG3 GLU 85 3HG GLU 85 -11.406 -1.033 -9.298 645 HA PRO 86 HA PRO 86 -14.496 3.415 -8.466 646 HB2 PRO 86 2HB PRO 86 -13.151 4.231 -6.253 647 HB3 PRO 86 3HB PRO 86 -14.809 3.620 -6.199 648 HG2 PRO 86 2HG PRO 86 -12.247 2.200 -5.584 649 HG3 PRO 86 3HG PRO 86 -13.789 2.155 -4.709 650 HD2 PRO 86 2HD PRO 86 -13.019 0.192 -6.409 651 HD3 PRO 86 3HD PRO 86 -14.721 0.643 -6.178 652 HA PRO 87 HA PRO 87 -10.684 4.401 -10.474 653 HB2 PRO 87 2HB PRO 87 -11.073 7.071 -10.774 654 HB3 PRO 87 3HB PRO 87 -11.915 5.862 -11.750 655 HG2 PRO 87 2HG PRO 87 -12.879 7.358 -9.343 656 HG3 PRO 87 3HG PRO 87 -13.735 6.998 -10.854 657 HD2 PRO 87 2HD PRO 87 -14.125 5.576 -8.583 658 HD3 PRO 87 3HD PRO 87 -14.247 4.848 -10.198 659 H THR 88 H THR 88 -11.635 5.670 -7.427 660 HA THR 88 HA THR 88 -9.324 7.287 -6.951 661 HB THR 88 HB THR 88 -10.150 7.657 -4.798 662 HG1 THR 88 HG1 THR 88 -11.306 6.182 -3.652 663 HG21 THR 88 3HG2 THR 88 -11.703 8.412 -6.602 664 HG22 THR 88 1HG2 THR 88 -12.494 8.125 -5.052 665 HG23 THR 88 2HG2 THR 88 -12.637 6.938 -6.349 666 H PHE 89 H PHE 89 -10.346 4.053 -5.878 667 HA PHE 89 HA PHE 89 -8.069 3.478 -4.341 668 HB2 PHE 89 2HB PHE 89 -9.700 1.948 -3.881 669 HB3 PHE 89 3HB PHE 89 -10.280 1.911 -5.543 670 HD1 PHE 89 HD1 PHE 89 -9.284 0.425 -7.177 671 HD2 PHE 89 HD2 PHE 89 -7.928 0.492 -3.143 672 HE1 PHE 89 HE1 PHE 89 -8.114 -1.709 -7.539 673 HE2 PHE 89 HE2 PHE 89 -6.755 -1.641 -3.499 674 HZ PHE 89 HZ PHE 89 -6.846 -2.744 -5.699 675 H THR 90 H THR 90 -8.822 2.764 -7.733 676 HA THR 90 HA THR 90 -6.628 1.252 -8.426 677 HB THR 90 HB THR 90 -7.478 3.352 -10.362 678 HG1 THR 90 HG1 THR 90 -9.366 1.768 -10.678 679 HG21 THR 90 3HG2 THR 90 -7.237 0.353 -10.610 680 HG22 THR 90 1HG2 THR 90 -5.933 1.490 -10.953 681 HG23 THR 90 2HG2 THR 90 -7.406 1.517 -11.923 682 H GLY 91 H GLY 91 -6.848 4.742 -8.017 683 HA2 GLY 91 2HA GLY 91 -4.449 5.525 -9.191 684 HA3 GLY 91 3HA GLY 91 -5.221 6.351 -7.846 685 H TRP 92 H TRP 92 -4.967 3.733 -6.295 686 HA TRP 92 HA TRP 92 -2.508 4.397 -5.010 687 HB2 TRP 92 2HB TRP 92 -4.351 2.026 -4.639 688 HB3 TRP 92 3HB TRP 92 -2.999 2.424 -3.582 689 HD1 TRP 92 HD1 TRP 92 -6.519 2.641 -3.443 690 HE1 TRP 92 HE1 TRP 92 -7.356 4.625 -2.033 691 HE3 TRP 92 HE3 TRP 92 -2.215 5.395 -3.282 692 HZ2 TRP 92 HZ2 TRP 92 -6.328 7.039 -0.991 693 HZ3 TRP 92 HZ3 TRP 92 -2.226 7.530 -2.059 694 HH2 TRP 92 HH2 TRP 92 -4.241 8.333 -0.938 695 H PHE 93 H PHE 93 -3.245 2.532 -7.712 696 HA PHE 93 HA PHE 93 -1.018 0.689 -7.382 697 HB2 PHE 93 2HB PHE 93 -3.239 0.986 -9.370 698 HB3 PHE 93 3HB PHE 93 -1.807 0.058 -9.804 699 HD1 PHE 93 HD1 PHE 93 -3.846 0.351 -6.691 700 HD2 PHE 93 HD2 PHE 93 -2.230 -2.189 -9.700 701 HE1 PHE 93 HE1 PHE 93 -4.771 -1.610 -5.528 702 HE2 PHE 93 HE2 PHE 93 -3.154 -4.154 -8.542 703 HZ PHE 93 HZ PHE 93 -4.427 -3.866 -6.454 704 H MET 94 H MET 94 0.374 0.395 -9.442 705 HA MET 94 HA MET 94 1.675 2.926 -9.921 706 HB2 MET 94 2HB MET 94 2.470 0.393 -11.301 707 HB3 MET 94 3HB MET 94 3.482 1.704 -10.710 708 HG2 MET 94 2HG MET 94 2.086 -0.381 -9.051 709 HG3 MET 94 3HG MET 94 3.815 -0.259 -9.365 710 HE1 MET 94 3HE MET 94 5.350 1.624 -8.476 711 HE2 MET 94 1HE MET 94 5.149 1.999 -6.765 712 HE3 MET 94 2HE MET 94 5.179 0.319 -7.301 713 H ALA 95 H ALA 95 -0.646 0.979 -11.504 714 HA ALA 95 HA ALA 95 -0.173 2.333 -14.070 715 HB1 ALA 95 1HB ALA 95 -1.124 0.559 -15.154 716 HB2 ALA 95 2HB ALA 95 -0.459 -0.266 -13.744 717 HB3 ALA 95 3HB ALA 95 -2.172 0.147 -13.797 718 H TRP 96 H TRP 96 -1.245 4.202 -14.181 719 HA TRP 96 HA TRP 96 -3.462 4.960 -12.694 720 HB2 TRP 96 2HB TRP 96 -2.177 5.940 -15.193 721 HB3 TRP 96 3HB TRP 96 -3.797 6.529 -14.833 722 HD1 TRP 96 HD1 TRP 96 -0.480 7.695 -14.457 723 HE1 TRP 96 HE1 TRP 96 -0.181 9.243 -12.422 724 HE3 TRP 96 HE3 TRP 96 -4.754 6.522 -11.910 725 HZ2 TRP 96 HZ2 TRP 96 -1.572 9.881 -10.051 726 HZ3 TRP 96 HZ3 TRP 96 -5.195 7.645 -9.766 727 HH2 TRP 96 HH2 TRP 96 -3.636 9.290 -8.857 728 H ASP 97 H ASP 97 -5.663 5.448 -13.492 729 HA ASP 97 HA ASP 97 -6.614 3.358 -15.341 730 HB2 ASP 97 2HB ASP 97 -7.199 3.321 -12.754 731 HB3 ASP 97 3HB ASP 97 -8.426 4.483 -13.252 732 HA PRO 98 HA PRO 98 -8.200 6.656 -17.802 733 HB2 PRO 98 2HB PRO 98 -9.949 5.216 -19.297 734 HB3 PRO 98 3HB PRO 98 -8.199 5.149 -19.536 735 HG2 PRO 98 2HG PRO 98 -9.982 3.251 -18.060 736 HG3 PRO 98 3HG PRO 98 -8.644 2.896 -19.168 737 HD2 PRO 98 2HD PRO 98 -8.377 2.782 -16.475 738 HD3 PRO 98 3HD PRO 98 -7.043 3.255 -17.548 739 H LEU 99 H LEU 99 -9.994 4.905 -15.520 740 HA LEU 99 HA LEU 99 -12.495 6.299 -16.033 741 HB2 LEU 99 2HB LEU 99 -11.664 4.246 -13.997 742 HB3 LEU 99 3HB LEU 99 -13.246 5.022 -13.986 743 HG LEU 99 HG LEU 99 -12.305 3.565 -16.426 744 HD11 LEU 99 1HD1 LEU 99 -13.986 1.928 -14.775 745 HD12 LEU 99 2HD1 LEU 99 -12.507 2.347 -13.912 746 HD13 LEU 99 3HD1 LEU 99 -12.416 1.560 -15.488 747 HD21 LEU 99 3HD2 LEU 99 -14.511 3.568 -17.034 748 HD22 LEU 99 1HD2 LEU 99 -14.444 5.067 -16.106 749 HD23 LEU 99 2HD2 LEU 99 -15.088 3.600 -15.367 750 H CYS 100 H CYS 100 -9.787 7.405 -14.903 751 HA CYS 100 HA CYS 100 -10.415 8.391 -12.311 752 HB2 CYS 100 2HB CYS 100 -8.283 8.869 -14.330 753 HB3 CYS 100 3HB CYS 100 -8.527 10.113 -13.110 754 HG CYS 100 HG CYS 100 -8.436 7.799 -11.138 755 H TRP 101 H TRP 101 -11.425 9.275 -15.425 756 HA TRP 101 HA TRP 101 -12.004 12.037 -14.693 757 HB2 TRP 101 2HB TRP 101 -11.975 10.473 -17.222 758 HB3 TRP 101 3HB TRP 101 -13.095 11.829 -17.128 759 HD1 TRP 101 HD1 TRP 101 -9.423 11.569 -15.881 760 HE1 TRP 101 HE1 TRP 101 -8.106 13.530 -16.903 761 HE3 TRP 101 HE3 TRP 101 -13.124 13.630 -18.743 762 HZ2 TRP 101 HZ2 TRP 101 -8.573 15.668 -18.686 763 HZ3 TRP 101 HZ3 TRP 101 -12.607 15.632 -20.077 764 HH2 TRP 101 HH2 TRP 101 -10.378 16.629 -20.047 765 H SER 102 H SER 102 -13.354 9.446 -13.668 766 HA SER 102 HA SER 102 -16.026 9.450 -14.553 767 HB2 SER 102 2HB SER 102 -16.476 7.979 -12.772 768 HB3 SER 102 3HB SER 102 -14.778 7.682 -13.145 769 HG SER 102 HG SER 102 -15.930 8.917 -10.927 770 H ASP 103 H ASP 103 -14.310 11.659 -12.632 771 HA ASP 103 HA ASP 103 -16.729 12.698 -11.354 772 HB2 ASP 103 2HB ASP 103 -13.800 13.336 -10.988 773 HB3 ASP 103 3HB ASP 103 -15.089 14.246 -10.203 774 H ARG 104 H ARG 104 -14.172 13.655 -13.600 775 HA ARG 104 HA ARG 104 -14.896 16.315 -13.985 776 HB2 ARG 104 2HB ARG 104 -13.468 14.276 -15.636 777 HB3 ARG 104 3HB ARG 104 -13.943 15.789 -16.397 778 HG2 ARG 104 2HG ARG 104 -12.476 15.871 -13.807 779 HG3 ARG 104 3HG ARG 104 -11.592 15.526 -15.295 780 HD2 ARG 104 2HD ARG 104 -12.667 17.605 -16.257 781 HD3 ARG 104 3HD ARG 104 -13.207 17.973 -14.619 782 HE ARG 104 HE ARG 104 -10.438 17.490 -14.597 783 HH11 ARG 104 1HH1 ARG 104 -12.750 19.844 -15.706 784 HH12 ARG 104 2HH1 ARG 104 -11.645 21.174 -15.599 785 HH21 ARG 104 1HH2 ARG 104 -8.973 19.232 -14.451 786 HH22 ARG 104 2HH2 ARG 104 -9.496 20.824 -14.886 787 H LYS 105 H LYS 105 -16.269 13.374 -15.288 788 HA LYS 105 HA LYS 105 -17.850 14.646 -17.298 789 HB2 LYS 105 2HB LYS 105 -17.806 11.909 -16.066 790 HB3 LYS 105 3HB LYS 105 -19.122 12.380 -17.132 791 HG2 LYS 105 2HG LYS 105 -16.675 13.079 -18.390 792 HG3 LYS 105 3HG LYS 105 -16.553 11.414 -17.817 793 HD2 LYS 105 2HD LYS 105 -17.542 11.003 -19.821 794 HD3 LYS 105 3HD LYS 105 -19.000 11.304 -18.874 795 HE2 LYS 105 2HE LYS 105 -19.517 12.913 -20.318 796 HE3 LYS 105 3HE LYS 105 -18.133 13.822 -19.715 797 HZ1 LYS 105 3HZ LYS 105 -17.223 11.900 -21.545 798 HZ2 LYS 105 1HZ LYS 105 -17.160 13.586 -21.672 799 HZ3 LYS 105 2HZ LYS 105 -18.503 12.743 -22.261 800 H SER 106 H SER 106 -18.157 14.220 -13.913 801 HA SER 106 HA SER 106 -21.039 14.754 -13.985 802 HB2 SER 106 2HB SER 106 -21.053 14.161 -11.628 803 HB3 SER 106 3HB SER 106 -20.209 12.907 -12.536 804 HG SER 106 HG SER 106 -18.991 13.407 -10.736 805 H TYR 107 H TYR 107 -21.956 16.499 -12.855 806 HA TYR 107 HA TYR 107 -20.276 18.853 -12.801 807 HB2 TYR 107 2HB TYR 107 -23.065 18.305 -13.153 808 HB3 TYR 107 3HB TYR 107 -22.875 19.451 -11.831 809 HD1 TYR 107 HD1 TYR 107 -21.425 21.532 -12.284 810 HD2 TYR 107 HD2 TYR 107 -22.977 19.041 -15.365 811 HE1 TYR 107 HE1 TYR 107 -21.123 23.358 -13.904 812 HE2 TYR 107 HE2 TYR 107 -22.678 20.860 -16.994 813 HH TYR 107 HH TYR 107 -20.797 23.519 -16.456 Start of MODEL 5 1 HA PRO 1 HA PRO 1 1.414 0.293 -1.826 2 HB2 PRO 1 2HB PRO 1 3.828 0.151 -3.060 3 HB3 PRO 1 3HB PRO 1 3.285 1.581 -2.173 4 HG2 PRO 1 2HG PRO 1 5.119 -0.614 -1.288 5 HG3 PRO 1 3HG PRO 1 5.272 1.137 -1.049 6 HD2 PRO 1 2HD PRO 1 4.372 -0.526 0.890 7 HD3 PRO 1 3HD PRO 1 3.804 1.149 0.728 8 H ARG 2 H ARG 2 1.982 -2.477 -0.429 9 HA ARG 2 HA ARG 2 2.101 -4.005 -2.947 10 HB2 ARG 2 2HB ARG 2 3.150 -4.761 -0.216 11 HB3 ARG 2 3HB ARG 2 3.026 -5.883 -1.564 12 HG2 ARG 2 2HG ARG 2 4.850 -5.066 -2.580 13 HG3 ARG 2 3HG ARG 2 4.463 -3.397 -2.159 14 HD2 ARG 2 2HD ARG 2 5.739 -3.446 -0.316 15 HD3 ARG 2 3HD ARG 2 5.182 -5.057 0.136 16 HE ARG 2 HE ARG 2 6.939 -5.193 -2.081 17 HH11 ARG 2 1HH1 ARG 2 6.894 -4.682 1.362 18 HH12 ARG 2 2HH1 ARG 2 8.502 -5.280 1.604 19 HH21 ARG 2 1HH2 ARG 2 9.057 -5.983 -1.776 20 HH22 ARG 2 2HH2 ARG 2 9.732 -6.019 -0.183 21 H LEU 3 H LEU 3 1.112 -6.278 -2.604 22 HA LEU 3 HA LEU 3 -1.485 -5.901 -1.276 23 HB2 LEU 3 2HB LEU 3 -0.607 -7.298 -3.738 24 HB3 LEU 3 3HB LEU 3 -1.926 -8.028 -2.825 25 HG LEU 3 HG LEU 3 -1.907 -5.236 -3.971 26 HD11 LEU 3 1HD1 LEU 3 -2.130 -7.409 -5.453 27 HD12 LEU 3 2HD1 LEU 3 -3.137 -5.989 -5.736 28 HD13 LEU 3 3HD1 LEU 3 -3.785 -7.366 -4.845 29 HD21 LEU 3 3HD2 LEU 3 -4.494 -6.175 -3.276 30 HD22 LEU 3 1HD2 LEU 3 -3.613 -4.793 -2.626 31 HD23 LEU 3 2HD2 LEU 3 -3.442 -6.379 -1.875 32 H PHE 4 H PHE 4 -2.503 -8.156 -0.720 33 HA PHE 4 HA PHE 4 -0.596 -10.083 0.293 34 HB2 PHE 4 2HB PHE 4 -2.345 -8.464 2.154 35 HB3 PHE 4 3HB PHE 4 -1.506 -9.939 2.623 36 HD1 PHE 4 HD1 PHE 4 0.936 -9.983 2.777 37 HD2 PHE 4 HD2 PHE 4 -1.180 -6.396 1.898 38 HE1 PHE 4 HE1 PHE 4 2.942 -8.668 3.326 39 HE2 PHE 4 HE2 PHE 4 0.822 -5.076 2.445 40 HZ PHE 4 HZ PHE 4 2.888 -6.212 3.159 41 H GLU 5 H GLU 5 -1.498 -11.807 -0.665 42 HA GLU 5 HA GLU 5 -4.392 -12.150 -0.631 43 HB2 GLU 5 2HB GLU 5 -2.136 -13.295 -2.172 44 HB3 GLU 5 3HB GLU 5 -3.501 -14.364 -1.882 45 HG2 GLU 5 2HG GLU 5 -4.880 -13.203 -3.241 46 HG3 GLU 5 3HG GLU 5 -4.138 -11.652 -2.854 47 H CYS 6 H CYS 6 -5.283 -13.088 1.077 48 HA CYS 6 HA CYS 6 -3.888 -15.369 2.310 49 HB2 CYS 6 2HB CYS 6 -5.661 -13.552 3.913 50 HB3 CYS 6 3HB CYS 6 -4.406 -14.650 4.474 51 HG CYS 6 HG CYS 6 -2.626 -12.741 2.790 52 H SER 7 H SER 7 -5.008 -17.130 1.804 53 HA SER 7 HA SER 7 -7.910 -17.110 2.231 54 HB2 SER 7 2HB SER 7 -7.067 -16.924 -0.277 55 HB3 SER 7 3HB SER 7 -6.853 -18.664 -0.092 56 HG SER 7 HG SER 7 -8.985 -18.920 0.164 57 H ASN 8 H ASN 8 -8.826 -19.213 2.615 58 HA ASN 8 HA ASN 8 -6.926 -20.985 3.941 59 HB2 ASN 8 2HB ASN 8 -9.046 -22.086 4.800 60 HB3 ASN 8 3HB ASN 8 -8.787 -20.421 5.312 61 HD21 ASN 8 1HD2 ASN 8 -10.736 -19.568 5.511 62 HD22 ASN 8 2HD2 ASN 8 -11.978 -19.605 4.311 63 H LYS 9 H LYS 9 -6.596 -23.101 3.402 64 HA LYS 9 HA LYS 9 -7.142 -23.858 0.702 65 HB2 LYS 9 2HB LYS 9 -6.049 -25.582 2.930 66 HB3 LYS 9 3HB LYS 9 -5.896 -25.869 1.202 67 HG2 LYS 9 2HG LYS 9 -4.527 -23.852 0.991 68 HG3 LYS 9 3HG LYS 9 -4.670 -23.581 2.729 69 HD2 LYS 9 2HD LYS 9 -3.737 -26.261 1.979 70 HD3 LYS 9 3HD LYS 9 -2.645 -24.949 1.531 71 HE2 LYS 9 2HE LYS 9 -2.347 -24.279 3.737 72 HE3 LYS 9 3HE LYS 9 -3.820 -25.079 4.282 73 HZ1 LYS 9 3HZ LYS 9 -2.546 -26.767 4.895 74 HZ2 LYS 9 1HZ LYS 9 -1.174 -26.092 4.170 75 HZ3 LYS 9 2HZ LYS 9 -2.213 -27.074 3.265 76 H THR 10 H THR 10 -8.049 -25.340 3.820 77 HA THR 10 HA THR 10 -10.562 -26.221 2.582 78 HB THR 10 HB THR 10 -10.418 -28.418 3.521 79 HG1 THR 10 HG1 THR 10 -7.830 -27.879 4.534 80 HG21 THR 10 3HG2 THR 10 -8.630 -29.366 2.263 81 HG22 THR 10 1HG2 THR 10 -7.701 -27.869 2.334 82 HG23 THR 10 2HG2 THR 10 -9.180 -27.945 1.376 83 H GLY 11 H GLY 11 -8.811 -26.207 5.698 84 HA2 GLY 11 2HA GLY 11 -11.206 -25.000 6.918 85 HA3 GLY 11 3HA GLY 11 -10.462 -26.411 7.657 86 H ARG 12 H ARG 12 -8.046 -24.609 6.291 87 HA ARG 12 HA ARG 12 -7.607 -23.082 8.772 88 HB2 ARG 12 2HB ARG 12 -5.524 -24.544 7.137 89 HB3 ARG 12 3HB ARG 12 -5.198 -23.543 8.546 90 HG2 ARG 12 2HG ARG 12 -7.072 -25.852 8.782 91 HG3 ARG 12 3HG ARG 12 -5.329 -26.129 8.775 92 HD2 ARG 12 2HD ARG 12 -5.577 -24.054 10.538 93 HD3 ARG 12 3HD ARG 12 -7.048 -24.976 10.844 94 HE ARG 12 HE ARG 12 -5.771 -26.578 11.843 95 HH11 ARG 12 1HH1 ARG 12 -3.725 -24.633 9.806 96 HH12 ARG 12 2HH1 ARG 12 -2.260 -25.400 10.324 97 HH21 ARG 12 1HH2 ARG 12 -3.849 -27.595 12.533 98 HH22 ARG 12 2HH2 ARG 12 -2.332 -27.085 11.874 99 H PHE 13 H PHE 13 -6.969 -21.005 8.556 100 HA PHE 13 HA PHE 13 -7.034 -19.863 5.898 101 HB2 PHE 13 2HB PHE 13 -8.187 -18.491 7.360 102 HB3 PHE 13 3HB PHE 13 -7.065 -18.784 8.685 103 HD1 PHE 13 HD1 PHE 13 -4.978 -17.545 8.846 104 HD2 PHE 13 HD2 PHE 13 -7.777 -16.775 5.733 105 HE1 PHE 13 HE1 PHE 13 -3.842 -15.418 8.355 106 HE2 PHE 13 HE2 PHE 13 -6.645 -14.647 5.237 107 HZ PHE 13 HZ PHE 13 -4.675 -13.967 6.548 108 H LEU 14 H LEU 14 -5.361 -18.928 4.812 109 HA LEU 14 HA LEU 14 -2.695 -19.141 6.049 110 HB2 LEU 14 2HB LEU 14 -3.695 -19.965 3.382 111 HB3 LEU 14 3HB LEU 14 -2.074 -19.278 3.461 112 HG LEU 14 HG LEU 14 -1.983 -21.701 3.517 113 HD11 LEU 14 1HD1 LEU 14 -0.376 -20.296 4.842 114 HD12 LEU 14 2HD1 LEU 14 -0.550 -21.963 5.387 115 HD13 LEU 14 3HD1 LEU 14 -1.348 -20.660 6.268 116 HD21 LEU 14 3HD2 LEU 14 -3.548 -21.562 6.088 117 HD22 LEU 14 1HD2 LEU 14 -2.985 -23.007 5.248 118 HD23 LEU 14 2HD2 LEU 14 -4.246 -22.004 4.529 119 H ALA 15 H ALA 15 -1.451 -17.366 6.031 120 HA ALA 15 HA ALA 15 -2.470 -15.011 4.589 121 HB1 ALA 15 1HB ALA 15 -1.663 -13.645 6.273 122 HB2 ALA 15 2HB ALA 15 -2.208 -15.065 7.167 123 HB3 ALA 15 3HB ALA 15 -0.492 -14.843 6.826 124 H THR 16 H THR 16 -1.369 -14.382 2.864 125 HA THR 16 HA THR 16 1.541 -14.793 2.801 126 HB THR 16 HB THR 16 -0.078 -15.118 0.295 127 HG1 THR 16 HG1 THR 16 0.563 -17.159 2.183 128 HG21 THR 16 3HG2 THR 16 2.152 -16.823 0.392 129 HG22 THR 16 1HG2 THR 16 2.691 -15.280 1.053 130 HG23 THR 16 2HG2 THR 16 1.969 -15.347 -0.555 131 H GLU 17 H GLU 17 2.688 -13.356 1.367 132 HA GLU 17 HA GLU 17 1.258 -10.813 0.993 133 HB2 GLU 17 2HB GLU 17 3.066 -10.477 2.479 134 HB3 GLU 17 3HB GLU 17 4.155 -11.452 1.503 135 HG2 GLU 17 2HG GLU 17 2.995 -8.993 0.306 136 HG3 GLU 17 3HG GLU 17 4.281 -8.830 1.499 137 H ILE 18 H ILE 18 1.465 -9.656 -0.927 138 HA ILE 18 HA ILE 18 2.750 -11.062 -3.168 139 HB ILE 18 HB ILE 18 0.036 -9.743 -3.297 140 HG12 ILE 18 2HG1 ILE 18 0.022 -11.899 -2.074 141 HG13 ILE 18 3HG1 ILE 18 -0.863 -11.984 -3.592 142 HG21 ILE 18 1HG2 ILE 18 1.954 -10.369 -5.309 143 HG22 ILE 18 2HG2 ILE 18 0.548 -11.411 -5.518 144 HG23 ILE 18 3HG2 ILE 18 0.351 -9.658 -5.491 145 HD11 ILE 18 3HD1 ILE 18 1.979 -12.903 -3.287 146 HD12 ILE 18 1HD1 ILE 18 0.582 -13.957 -3.068 147 HD13 ILE 18 2HD1 ILE 18 0.881 -13.201 -4.634 148 H VAL 19 H VAL 19 4.275 -9.786 -3.963 149 HA VAL 19 HA VAL 19 4.756 -7.153 -3.407 150 HB VAL 19 HB VAL 19 5.362 -8.454 -6.064 151 HG11 VAL 19 1HG1 VAL 19 5.850 -6.169 -6.257 152 HG12 VAL 19 2HG1 VAL 19 6.481 -6.075 -4.612 153 HG13 VAL 19 3HG1 VAL 19 7.395 -6.921 -5.861 154 HG21 VAL 19 3HG2 VAL 19 7.635 -8.776 -4.749 155 HG22 VAL 19 1HG2 VAL 19 6.548 -8.792 -3.360 156 HG23 VAL 19 2HG2 VAL 19 6.338 -9.967 -4.658 157 H ASP 20 H ASP 20 4.399 -5.177 -4.474 158 HA ASP 20 HA ASP 20 1.866 -4.528 -5.208 159 HB2 ASP 20 2HB ASP 20 3.819 -2.957 -4.797 160 HB3 ASP 20 3HB ASP 20 4.271 -3.219 -6.480 161 H PHE 21 H PHE 21 0.797 -5.889 -6.578 162 HA PHE 21 HA PHE 21 1.877 -6.183 -9.299 163 HB2 PHE 21 2HB PHE 21 0.215 -7.933 -7.558 164 HB3 PHE 21 3HB PHE 21 -0.099 -7.982 -9.290 165 HD1 PHE 21 HD2 PHE 21 3.237 -7.328 -7.923 166 HD2 PHE 21 HD1 PHE 21 0.612 -10.257 -9.551 167 HE1 PHE 21 HE2 PHE 21 5.138 -8.860 -8.221 168 HE2 PHE 21 HE1 PHE 21 2.510 -11.795 -9.850 169 HZ PHE 21 HZ PHE 21 4.776 -11.097 -9.186 170 H THR 22 H THR 22 -0.048 -6.553 -10.925 171 HA THR 22 HA THR 22 -1.755 -4.184 -10.671 172 HB THR 22 HB THR 22 -1.981 -4.175 -13.029 173 HG1 THR 22 HG1 THR 22 -0.583 -6.620 -13.290 174 HG21 THR 22 3HG2 THR 22 0.186 -3.369 -12.313 175 HG22 THR 22 1HG2 THR 22 0.361 -4.234 -13.839 176 HG23 THR 22 2HG2 THR 22 0.835 -5.009 -12.327 177 H GLN 23 H GLN 23 -3.839 -4.632 -12.237 178 HA GLN 23 HA GLN 23 -5.487 -6.356 -10.690 179 HB2 GLN 23 2HB GLN 23 -6.057 -4.997 -13.329 180 HB3 GLN 23 3HB GLN 23 -7.259 -5.744 -12.286 181 HG2 GLN 23 2HG GLN 23 -5.500 -3.507 -11.342 182 HG3 GLN 23 3HG GLN 23 -7.025 -3.220 -12.179 183 HE21 GLN 23 1HE2 GLN 23 -8.859 -4.652 -11.224 184 HE22 GLN 23 2HE2 GLN 23 -8.994 -4.600 -9.503 185 H ASP 24 H ASP 24 -3.525 -6.830 -13.448 186 HA ASP 24 HA ASP 24 -4.858 -8.858 -14.809 187 HB2 ASP 24 2HB ASP 24 -1.924 -8.286 -14.427 188 HB3 ASP 24 3HB ASP 24 -2.491 -9.618 -15.430 189 H ASP 25 H ASP 25 -2.576 -9.098 -12.097 190 HA ASP 25 HA ASP 25 -2.878 -11.954 -11.910 191 HB2 ASP 25 2HB ASP 25 -1.327 -9.859 -10.476 192 HB3 ASP 25 3HB ASP 25 -1.669 -11.348 -9.599 193 H LEU 26 H LEU 26 -4.744 -9.353 -10.956 194 HA LEU 26 HA LEU 26 -5.664 -10.107 -8.419 195 HB2 LEU 26 2HB LEU 26 -6.068 -7.961 -9.849 196 HB3 LEU 26 3HB LEU 26 -7.481 -8.843 -10.425 197 HG LEU 26 HG LEU 26 -8.030 -7.282 -8.615 198 HD11 LEU 26 1HD1 LEU 26 -9.365 -9.302 -8.913 199 HD12 LEU 26 2HD1 LEU 26 -9.264 -8.849 -7.212 200 HD13 LEU 26 3HD1 LEU 26 -8.287 -10.182 -7.829 201 HD21 LEU 26 3HD2 LEU 26 -7.222 -7.626 -6.371 202 HD22 LEU 26 1HD2 LEU 26 -5.848 -7.409 -7.455 203 HD23 LEU 26 2HD2 LEU 26 -6.276 -9.023 -6.886 204 H ASP 27 H ASP 27 -6.183 -12.222 -8.147 205 HA ASP 27 HA ASP 27 -7.458 -13.915 -9.924 206 HB2 ASP 27 2HB ASP 27 -7.888 -14.041 -6.941 207 HB3 ASP 27 3HB ASP 27 -7.849 -15.375 -8.090 208 H GLU 28 H GLU 28 -9.697 -14.941 -9.398 209 HA GLU 28 HA GLU 28 -11.658 -12.986 -9.971 210 HB2 GLU 28 2HB GLU 28 -11.940 -15.882 -9.155 211 HB3 GLU 28 3HB GLU 28 -13.270 -14.878 -9.714 212 HG2 GLU 28 2HG GLU 28 -11.638 -14.504 -11.764 213 HG3 GLU 28 3HG GLU 28 -11.019 -16.065 -11.228 214 H ASN 29 H ASN 29 -11.559 -15.219 -7.189 215 HA ASN 29 HA ASN 29 -12.653 -13.048 -5.528 216 HB2 ASN 29 2HB ASN 29 -13.401 -15.976 -5.360 217 HB3 ASN 29 3HB ASN 29 -14.022 -14.688 -4.333 218 HD21 ASN 29 1HD2 ASN 29 -14.093 -16.131 -7.485 219 HD22 ASN 29 2HD2 ASN 29 -15.492 -15.295 -8.060 220 H ASP 30 H ASP 30 -10.912 -12.478 -4.355 221 HA ASP 30 HA ASP 30 -9.813 -14.470 -2.537 222 HB2 ASP 30 2HB ASP 30 -8.269 -13.107 -4.688 223 HB3 ASP 30 3HB ASP 30 -7.486 -13.299 -3.122 224 H VAL 31 H VAL 31 -8.373 -13.411 -0.876 225 HA VAL 31 HA VAL 31 -9.555 -10.828 -0.133 226 HB VAL 31 HB VAL 31 -8.015 -12.741 1.625 227 HG11 VAL 31 1HG1 VAL 31 -9.655 -10.282 2.205 228 HG12 VAL 31 2HG1 VAL 31 -9.140 -11.429 3.442 229 HG13 VAL 31 3HG1 VAL 31 -7.938 -10.531 2.515 230 HG21 VAL 31 3HG2 VAL 31 -10.730 -12.653 2.365 231 HG22 VAL 31 1HG2 VAL 31 -10.690 -12.912 0.621 232 HG23 VAL 31 2HG2 VAL 31 -9.834 -14.017 1.696 233 H TYR 32 H TYR 32 -8.350 -9.173 -0.816 234 HA TYR 32 HA TYR 32 -5.424 -9.376 -0.612 235 HB2 TYR 32 2HB TYR 32 -6.963 -7.280 -2.140 236 HB3 TYR 32 3HB TYR 32 -5.262 -7.703 -2.297 237 HD1 TYR 32 HD2 TYR 32 -8.695 -8.691 -3.127 238 HD2 TYR 32 HD1 TYR 32 -4.571 -9.634 -3.580 239 HE1 TYR 32 HE2 TYR 32 -9.258 -10.254 -4.940 240 HE2 TYR 32 HE1 TYR 32 -5.122 -11.199 -5.395 241 HH TYR 32 HH TYR 32 -6.871 -12.387 -6.335 242 H LEU 33 H LEU 33 -4.255 -7.429 0.060 243 HA LEU 33 HA LEU 33 -5.794 -5.652 1.814 244 HB2 LEU 33 2HB LEU 33 -3.136 -6.656 2.719 245 HB3 LEU 33 3HB LEU 33 -4.472 -6.009 3.669 246 HG LEU 33 HG LEU 33 -4.447 -8.729 2.362 247 HD11 LEU 33 1HD1 LEU 33 -4.112 -9.619 4.589 248 HD12 LEU 33 2HD1 LEU 33 -4.050 -7.988 5.257 249 HD13 LEU 33 3HD1 LEU 33 -2.784 -8.540 4.161 250 HD21 LEU 33 3HD2 LEU 33 -6.576 -8.961 2.990 251 HD22 LEU 33 1HD2 LEU 33 -6.593 -7.206 3.168 252 HD23 LEU 33 2HD2 LEU 33 -6.279 -8.231 4.569 253 H LEU 34 H LEU 34 -5.472 -3.676 1.042 254 HA LEU 34 HA LEU 34 -2.780 -2.964 0.080 255 HB2 LEU 34 2HB LEU 34 -4.462 -2.897 -1.676 256 HB3 LEU 34 3HB LEU 34 -5.459 -1.821 -0.700 257 HG LEU 34 HG LEU 34 -3.453 -0.203 -0.830 258 HD11 LEU 34 1HD1 LEU 34 -2.855 -1.816 -3.295 259 HD12 LEU 34 2HD1 LEU 34 -1.954 -1.995 -1.790 260 HD13 LEU 34 3HD1 LEU 34 -1.956 -0.448 -2.638 261 HD21 LEU 34 3HD2 LEU 34 -5.762 -0.481 -2.280 262 HD22 LEU 34 1HD2 LEU 34 -4.529 -0.373 -3.536 263 HD23 LEU 34 2HD2 LEU 34 -4.676 0.909 -2.334 264 H ASP 35 H ASP 35 -1.724 -1.817 1.553 265 HA ASP 35 HA ASP 35 -3.223 -0.001 3.304 266 HB2 ASP 35 2HB ASP 35 -0.316 -0.639 3.666 267 HB3 ASP 35 3HB ASP 35 -1.518 -0.204 4.877 268 H THR 36 H THR 36 -3.366 2.010 2.569 269 HA THR 36 HA THR 36 -1.099 3.142 1.075 270 HB THR 36 HB THR 36 -2.536 4.474 -0.119 271 HG1 THR 36 HG1 THR 36 -4.765 4.864 0.805 272 HG21 THR 36 3HG2 THR 36 -3.124 2.119 -0.547 273 HG22 THR 36 1HG2 THR 36 -4.502 3.196 -0.772 274 HG23 THR 36 2HG2 THR 36 -4.375 2.218 0.691 275 H TRP 37 H TRP 37 -1.008 5.640 1.344 276 HA TRP 37 HA TRP 37 -0.293 6.165 4.032 277 HB2 TRP 37 2HB TRP 37 0.845 7.261 2.171 278 HB3 TRP 37 3HB TRP 37 -0.651 8.064 1.703 279 HD1 TRP 37 HD1 TRP 37 -1.683 9.706 3.832 280 HE1 TRP 37 HE1 TRP 37 -0.337 11.382 5.248 281 HE3 TRP 37 HE3 TRP 37 3.013 7.841 3.051 282 HZ2 TRP 37 HZ2 TRP 37 2.359 11.852 5.941 283 HZ3 TRP 37 HZ3 TRP 37 4.921 8.962 4.126 284 HH2 TRP 37 HH2 TRP 37 4.599 10.926 5.541 285 H ASP 38 H ASP 38 -3.117 6.946 2.088 286 HA ASP 38 HA ASP 38 -4.279 8.675 4.064 287 HB2 ASP 38 2HB ASP 38 -5.339 7.420 1.534 288 HB3 ASP 38 3HB ASP 38 -6.343 8.411 2.588 289 H GLN 39 H GLN 39 -4.819 5.337 2.995 290 HA GLN 39 HA GLN 39 -5.546 4.413 5.544 291 HB2 GLN 39 2HB GLN 39 -7.585 5.868 4.672 292 HB3 GLN 39 3HB GLN 39 -7.968 4.388 3.803 293 HG2 GLN 39 2HG GLN 39 -9.134 4.569 5.958 294 HG3 GLN 39 3HG GLN 39 -8.092 3.151 5.857 295 HE21 GLN 39 1HE2 GLN 39 -7.766 2.888 8.014 296 HE22 GLN 39 2HE2 GLN 39 -6.902 4.014 8.998 297 H ILE 40 H ILE 40 -6.397 2.159 5.479 298 HA ILE 40 HA ILE 40 -5.160 0.745 3.250 299 HB ILE 40 HB ILE 40 -6.329 -0.404 5.786 300 HG12 ILE 40 2HG1 ILE 40 -3.667 -0.655 6.108 301 HG13 ILE 40 3HG1 ILE 40 -3.703 0.836 5.173 302 HG21 ILE 40 1HG2 ILE 40 -6.089 -1.933 3.825 303 HG22 ILE 40 2HG2 ILE 40 -4.354 -1.623 3.867 304 HG23 ILE 40 3HG2 ILE 40 -5.144 -2.403 5.237 305 HD11 ILE 40 3HD1 ILE 40 -5.644 1.212 7.102 306 HD12 ILE 40 1HD1 ILE 40 -4.344 0.376 7.950 307 HD13 ILE 40 2HD1 ILE 40 -4.014 1.885 7.098 308 H PHE 41 H PHE 41 -6.374 0.255 1.554 309 HA PHE 41 HA PHE 41 -9.254 0.017 1.809 310 HB2 PHE 41 2HB PHE 41 -7.325 0.269 -0.447 311 HB3 PHE 41 3HB PHE 41 -8.872 -0.503 -0.777 312 HD1 PHE 41 HD2 PHE 41 -7.514 2.540 0.899 313 HD2 PHE 41 HD1 PHE 41 -10.617 0.822 -1.453 314 HE1 PHE 41 HE2 PHE 41 -8.565 4.753 0.677 315 HE2 PHE 41 HE1 PHE 41 -11.673 3.033 -1.680 316 HZ PHE 41 HZ PHE 41 -10.648 5.002 -0.613 317 H PHE 42 H PHE 42 -10.052 -1.860 2.485 318 HA PHE 42 HA PHE 42 -8.661 -4.349 1.898 319 HB2 PHE 42 2HB PHE 42 -10.848 -3.529 3.763 320 HB3 PHE 42 3HB PHE 42 -10.721 -5.224 3.303 321 HD1 PHE 42 HD1 PHE 42 -7.823 -5.601 3.155 322 HD2 PHE 42 HD2 PHE 42 -10.170 -3.441 5.972 323 HE1 PHE 42 HE1 PHE 42 -6.078 -5.933 4.858 324 HE2 PHE 42 HE2 PHE 42 -8.429 -3.768 7.679 325 HZ PHE 42 HZ PHE 42 -6.379 -5.015 7.123 326 H TRP 43 H TRP 43 -9.047 -5.234 -0.022 327 HA TRP 43 HA TRP 43 -11.681 -4.945 -1.254 328 HB2 TRP 43 2HB TRP 43 -8.944 -5.536 -2.232 329 HB3 TRP 43 3HB TRP 43 -10.268 -6.309 -3.099 330 HD1 TRP 43 HD1 TRP 43 -10.145 -2.702 -1.676 331 HE1 TRP 43 HE1 TRP 43 -10.598 -1.071 -3.615 332 HE3 TRP 43 HE3 TRP 43 -10.407 -6.063 -5.519 333 HZ2 TRP 43 HZ2 TRP 43 -11.013 -1.193 -6.404 334 HZ3 TRP 43 HZ3 TRP 43 -10.836 -5.224 -7.792 335 HH2 TRP 43 HH2 TRP 43 -11.132 -2.840 -8.224 336 H ILE 44 H ILE 44 -13.159 -6.472 -1.004 337 HA ILE 44 HA ILE 44 -12.266 -9.258 -0.659 338 HB ILE 44 HB ILE 44 -14.568 -7.916 0.762 339 HG12 ILE 44 2HG1 ILE 44 -13.039 -8.951 2.717 340 HG13 ILE 44 3HG1 ILE 44 -11.788 -8.639 1.519 341 HG21 ILE 44 1HG2 ILE 44 -13.855 -10.753 0.333 342 HG22 ILE 44 2HG2 ILE 44 -14.374 -10.300 1.956 343 HG23 ILE 44 3HG2 ILE 44 -15.432 -10.002 0.577 344 HD11 ILE 44 3HD1 ILE 44 -12.940 -6.836 3.329 345 HD12 ILE 44 1HD1 ILE 44 -11.767 -6.498 2.056 346 HD13 ILE 44 2HD1 ILE 44 -13.494 -6.359 1.724 347 H GLY 45 H GLY 45 -13.145 -10.681 -2.026 348 HA2 GLY 45 2HA GLY 45 -15.146 -9.732 -3.914 349 HA3 GLY 45 3HA GLY 45 -14.237 -11.232 -4.023 350 H LYS 46 H LYS 46 -16.334 -12.152 -4.603 351 HA LYS 46 HA LYS 46 -18.246 -12.410 -2.413 352 HB2 LYS 46 2HB LYS 46 -18.299 -13.025 -5.344 353 HB3 LYS 46 3HB LYS 46 -19.445 -13.821 -4.273 354 HG2 LYS 46 2HG LYS 46 -19.567 -11.127 -3.579 355 HG3 LYS 46 3HG LYS 46 -19.480 -11.148 -5.342 356 HD2 LYS 46 2HD LYS 46 -21.366 -12.949 -3.858 357 HD3 LYS 46 3HD LYS 46 -21.798 -11.277 -4.225 358 HE2 LYS 46 2HE LYS 46 -22.473 -11.976 -6.225 359 HE3 LYS 46 3HE LYS 46 -20.784 -12.307 -6.610 360 HZ1 LYS 46 3HZ LYS 46 -21.018 -14.540 -6.042 361 HZ2 LYS 46 1HZ LYS 46 -22.445 -14.193 -6.882 362 HZ3 LYS 46 2HZ LYS 46 -22.460 -14.286 -5.194 363 H GLY 47 H GLY 47 -15.890 -14.283 -4.198 364 HA2 GLY 47 2HA GLY 47 -16.721 -16.822 -3.142 365 HA3 GLY 47 3HA GLY 47 -15.237 -16.494 -4.025 366 H ALA 48 H ALA 48 -14.384 -14.373 -2.218 367 HA ALA 48 HA ALA 48 -12.747 -15.766 -0.500 368 HB1 ALA 48 1HB ALA 48 -12.562 -13.600 0.773 369 HB2 ALA 48 2HB ALA 48 -12.253 -13.496 -0.961 370 HB3 ALA 48 3HB ALA 48 -13.799 -12.954 -0.307 371 H ASN 49 H ASN 49 -12.942 -16.703 1.445 372 HA ASN 49 HA ASN 49 -15.497 -17.187 2.554 373 HB2 ASN 49 2HB ASN 49 -12.691 -17.861 3.268 374 HB3 ASN 49 3HB ASN 49 -13.887 -17.953 4.558 375 HD21 ASN 49 1HD2 ASN 49 -13.780 -18.793 1.108 376 HD22 ASN 49 2HD2 ASN 49 -14.397 -20.394 1.308 377 H GLU 50 H GLU 50 -16.052 -16.759 4.866 378 HA GLU 50 HA GLU 50 -15.947 -13.949 5.363 379 HB2 GLU 50 2HB GLU 50 -17.022 -16.226 7.035 380 HB3 GLU 50 3HB GLU 50 -17.232 -14.524 7.422 381 HG2 GLU 50 2HG GLU 50 -18.252 -14.396 5.028 382 HG3 GLU 50 3HG GLU 50 -18.458 -16.135 5.237 383 H SER 51 H SER 51 -14.267 -16.754 6.600 384 HA SER 51 HA SER 51 -13.120 -15.431 8.861 385 HB2 SER 51 2HB SER 51 -12.653 -18.057 7.484 386 HB3 SER 51 3HB SER 51 -11.513 -17.486 8.702 387 HG SER 51 HG SER 51 -12.950 -18.558 9.894 388 H GLU 52 H GLU 52 -11.961 -16.277 5.618 389 HA GLU 52 HA GLU 52 -9.327 -15.478 5.826 390 HB2 GLU 52 2HB GLU 52 -11.137 -15.114 3.431 391 HB3 GLU 52 3HB GLU 52 -9.379 -15.129 3.402 392 HG2 GLU 52 2HG GLU 52 -9.327 -17.435 4.050 393 HG3 GLU 52 3HG GLU 52 -11.073 -17.449 4.294 394 H LYS 53 H LYS 53 -12.138 -13.494 4.926 395 HA LYS 53 HA LYS 53 -10.737 -11.085 4.567 396 HB2 LYS 53 2HB LYS 53 -12.882 -11.064 3.674 397 HB3 LYS 53 3HB LYS 53 -13.596 -11.791 5.108 398 HG2 LYS 53 2HG LYS 53 -12.393 -9.102 5.406 399 HG3 LYS 53 3HG LYS 53 -13.902 -9.227 4.499 400 HD2 LYS 53 2HD LYS 53 -15.099 -9.588 6.354 401 HD3 LYS 53 3HD LYS 53 -13.942 -10.773 6.965 402 HE2 LYS 53 2HE LYS 53 -13.564 -9.214 8.545 403 HE3 LYS 53 3HE LYS 53 -12.539 -8.489 7.308 404 HZ1 LYS 53 3HZ LYS 53 -14.638 -7.253 6.615 405 HZ2 LYS 53 1HZ LYS 53 -13.883 -6.757 8.045 406 HZ3 LYS 53 2HZ LYS 53 -15.275 -7.716 8.112 407 H GLU 54 H GLU 54 -11.924 -12.693 7.422 408 HA GLU 54 HA GLU 54 -11.679 -10.413 9.144 409 HB2 GLU 54 2HB GLU 54 -11.898 -13.356 9.804 410 HB3 GLU 54 3HB GLU 54 -12.026 -12.044 10.968 411 HG2 GLU 54 2HG GLU 54 -13.848 -11.703 8.744 412 HG3 GLU 54 3HG GLU 54 -14.098 -13.232 9.584 413 H ALA 55 H ALA 55 -9.837 -13.454 8.855 414 HA ALA 55 HA ALA 55 -7.773 -12.721 10.612 415 HB1 ALA 55 1HB ALA 55 -6.766 -14.692 10.037 416 HB2 ALA 55 2HB ALA 55 -8.416 -15.024 9.510 417 HB3 ALA 55 3HB ALA 55 -7.195 -14.544 8.332 418 H ALA 56 H ALA 56 -7.935 -12.571 7.059 419 HA ALA 56 HA ALA 56 -5.380 -11.506 6.635 420 HB1 ALA 56 1HB ALA 56 -6.012 -11.181 4.435 421 HB2 ALA 56 2HB ALA 56 -7.114 -12.457 4.955 422 HB3 ALA 56 3HB ALA 56 -7.678 -10.788 4.862 423 H ALA 57 H ALA 57 -8.340 -10.020 7.678 424 HA ALA 57 HA ALA 57 -7.587 -7.328 7.077 425 HB1 ALA 57 1HB ALA 57 -9.468 -6.971 8.930 426 HB2 ALA 57 2HB ALA 57 -9.847 -7.418 7.266 427 HB3 ALA 57 3HB ALA 57 -9.806 -8.654 8.523 428 H GLU 58 H GLU 58 -7.500 -9.351 9.987 429 HA GLU 58 HA GLU 58 -6.432 -7.269 11.641 430 HB2 GLU 58 2HB GLU 58 -6.786 -10.237 12.008 431 HB3 GLU 58 3HB GLU 58 -5.984 -9.241 13.215 432 HG2 GLU 58 2HG GLU 58 -8.425 -7.978 12.533 433 HG3 GLU 58 3HG GLU 58 -8.757 -9.683 12.832 434 H THR 59 H THR 59 -5.111 -9.992 9.840 435 HA THR 59 HA THR 59 -2.515 -10.007 10.844 436 HB THR 59 HB THR 59 -3.448 -10.626 8.035 437 HG1 THR 59 HG1 THR 59 -2.973 -12.270 10.318 438 HG21 THR 59 3HG2 THR 59 -1.253 -12.153 8.394 439 HG22 THR 59 1HG2 THR 59 -0.789 -10.724 9.316 440 HG23 THR 59 2HG2 THR 59 -1.223 -10.572 7.613 441 H ALA 60 H ALA 60 -4.024 -7.904 8.481 442 HA ALA 60 HA ALA 60 -1.638 -6.727 7.493 443 HB1 ALA 60 1HB ALA 60 -3.425 -4.818 6.978 444 HB2 ALA 60 2HB ALA 60 -3.325 -6.307 6.036 445 HB3 ALA 60 3HB ALA 60 -4.535 -6.148 7.309 446 H GLN 61 H GLN 61 -3.889 -5.861 10.080 447 HA GLN 61 HA GLN 61 -2.969 -3.346 10.736 448 HB2 GLN 61 2HB GLN 61 -4.232 -5.558 12.284 449 HB3 GLN 61 3HB GLN 61 -3.557 -4.204 13.181 450 HG2 GLN 61 2HG GLN 61 -5.074 -3.109 11.079 451 HG3 GLN 61 3HG GLN 61 -6.044 -4.392 11.801 452 HE21 GLN 61 1HE2 GLN 61 -6.412 -1.495 11.855 453 HE22 GLN 61 2HE2 GLN 61 -6.457 -1.052 13.524 454 H GLU 62 H GLU 62 -1.525 -6.461 11.396 455 HA GLU 62 HA GLU 62 0.292 -5.746 13.389 456 HB2 GLU 62 2HB GLU 62 0.393 -7.830 11.217 457 HB3 GLU 62 3HB GLU 62 1.691 -7.648 12.389 458 HG2 GLU 62 2HG GLU 62 -1.083 -7.912 13.408 459 HG3 GLU 62 3HG GLU 62 -0.292 -9.345 12.753 460 H TYR 63 H TYR 63 0.511 -5.471 9.877 461 HA TYR 63 HA TYR 63 3.226 -4.593 9.860 462 HB2 TYR 63 2HB TYR 63 2.379 -5.613 7.871 463 HB3 TYR 63 3HB TYR 63 1.030 -4.485 7.791 464 HD1 TYR 63 HD1 TYR 63 1.393 -2.163 7.065 465 HD2 TYR 63 HD2 TYR 63 4.556 -5.009 7.050 466 HE1 TYR 63 HE1 TYR 63 2.708 -0.685 5.604 467 HE2 TYR 63 HE2 TYR 63 5.880 -3.539 5.590 468 HH TYR 63 HH TYR 63 5.006 -1.476 3.778 469 H LEU 64 H LEU 64 0.089 -2.976 9.805 470 HA LEU 64 HA LEU 64 0.877 -0.380 9.262 471 HB2 LEU 64 2HB LEU 64 -1.349 -1.567 10.854 472 HB3 LEU 64 3HB LEU 64 -1.102 0.178 10.882 473 HG LEU 64 HG LEU 64 -2.825 -0.709 9.249 474 HD11 LEU 64 1HD1 LEU 64 -1.604 0.713 7.330 475 HD12 LEU 64 2HD1 LEU 64 -0.634 1.195 8.721 476 HD13 LEU 64 3HD1 LEU 64 -2.380 1.443 8.736 477 HD21 LEU 64 3HD2 LEU 64 -0.319 -1.647 7.862 478 HD22 LEU 64 1HD2 LEU 64 -1.896 -1.502 7.086 479 HD23 LEU 64 2HD2 LEU 64 -1.669 -2.640 8.415 480 H ARG 65 H ARG 65 0.912 -2.127 12.331 481 HA ARG 65 HA ARG 65 1.660 0.089 13.934 482 HB2 ARG 65 2HB ARG 65 2.127 -2.855 14.444 483 HB3 ARG 65 3HB ARG 65 2.190 -1.572 15.645 484 HG2 ARG 65 2HG ARG 65 -0.284 -1.165 14.729 485 HG3 ARG 65 3HG ARG 65 -0.137 -2.892 14.395 486 HD2 ARG 65 2HD ARG 65 0.051 -3.443 16.618 487 HD3 ARG 65 3HD ARG 65 0.697 -1.864 17.064 488 HE ARG 65 HE ARG 65 -1.979 -1.624 16.177 489 HH11 ARG 65 1HH1 ARG 65 -0.073 -2.718 18.877 490 HH12 ARG 65 2HH1 ARG 65 -1.322 -2.430 20.043 491 HH21 ARG 65 1HH2 ARG 65 -3.631 -1.241 17.702 492 HH22 ARG 65 2HH2 ARG 65 -3.346 -1.591 19.373 493 H SER 66 H SER 66 3.413 -2.051 11.864 494 HA SER 66 HA SER 66 5.984 -1.764 12.999 495 HB2 SER 66 2HB SER 66 6.757 -2.943 11.173 496 HB3 SER 66 3HB SER 66 5.050 -3.383 11.118 497 HG SER 66 HG SER 66 5.757 -2.719 9.076 498 H HIS 67 H HIS 67 4.066 0.265 10.942 499 HA HIS 67 HA HIS 67 6.354 2.023 10.420 500 HB2 HIS 67 2HB HIS 67 3.704 1.603 9.127 501 HB3 HIS 67 3HB HIS 67 4.405 3.216 9.045 502 HD1 HIS 67 HD1 HIS 67 7.366 2.437 8.634 503 HD2 HIS 67 HD2 HIS 67 4.179 0.729 6.588 504 HE1 HIS 67 HE1 HIS 67 8.346 1.522 6.506 505 HA PRO 68 HA PRO 68 5.136 5.103 13.295 506 HB2 PRO 68 2HB PRO 68 5.634 7.401 11.938 507 HB3 PRO 68 3HB PRO 68 6.916 6.357 12.563 508 HG2 PRO 68 2HG PRO 68 5.810 6.545 9.787 509 HG3 PRO 68 3HG PRO 68 7.499 6.413 10.312 510 HD2 PRO 68 2HD PRO 68 6.088 4.292 9.392 511 HD3 PRO 68 3HD PRO 68 7.353 4.134 10.628 512 H GLY 69 H GLY 69 4.053 7.594 12.939 513 HA2 GLY 69 2HA GLY 69 2.153 8.570 11.642 514 HA3 GLY 69 3HA GLY 69 1.414 6.979 11.758 515 H SER 70 H SER 70 0.087 9.253 12.601 516 HA SER 70 HA SER 70 0.264 9.162 15.532 517 HB2 SER 70 2HB SER 70 -0.903 11.182 13.622 518 HB3 SER 70 3HB SER 70 -1.284 11.202 15.343 519 HG SER 70 HG SER 70 0.485 12.341 15.456 520 H ARG 71 H ARG 71 -2.458 9.818 13.345 521 HA ARG 71 HA ARG 71 -4.065 7.925 14.917 522 HB2 ARG 71 2HB ARG 71 -4.694 10.447 13.454 523 HB3 ARG 71 3HB ARG 71 -5.950 9.223 13.580 524 HG2 ARG 71 2HG ARG 71 -6.164 9.473 15.844 525 HG3 ARG 71 3HG ARG 71 -4.507 10.043 16.047 526 HD2 ARG 71 2HD ARG 71 -6.608 11.644 14.612 527 HD3 ARG 71 3HD ARG 71 -6.353 11.760 16.352 528 HE ARG 71 HE ARG 71 -3.949 12.135 14.839 529 HH11 ARG 71 1HH1 ARG 71 -6.812 13.698 16.056 530 HH12 ARG 71 2HH1 ARG 71 -6.104 15.280 16.060 531 HH21 ARG 71 1HH2 ARG 71 -3.006 14.212 14.840 532 HH22 ARG 71 2HH2 ARG 71 -3.940 15.571 15.367 533 H ASP 72 H ASP 72 -2.223 7.397 12.572 534 HA ASP 72 HA ASP 72 -3.630 6.801 10.254 535 HB2 ASP 72 2HB ASP 72 -1.157 5.676 11.516 536 HB3 ASP 72 3HB ASP 72 -1.827 4.901 10.084 537 H LEU 73 H LEU 73 -3.610 5.187 13.317 538 HA LEU 73 HA LEU 73 -4.985 2.853 12.214 539 HB2 LEU 73 2HB LEU 73 -3.889 3.449 14.954 540 HB3 LEU 73 3HB LEU 73 -4.796 1.990 14.560 541 HG LEU 73 HG LEU 73 -2.541 2.399 12.773 542 HD11 LEU 73 1HD1 LEU 73 -1.020 3.081 14.247 543 HD12 LEU 73 2HD1 LEU 73 -1.180 1.494 14.999 544 HD13 LEU 73 3HD1 LEU 73 -2.121 2.856 15.607 545 HD21 LEU 73 3HD2 LEU 73 -3.761 0.314 12.925 546 HD22 LEU 73 1HD2 LEU 73 -3.374 0.181 14.640 547 HD23 LEU 73 2HD2 LEU 73 -2.091 0.068 13.436 548 H ASP 74 H ASP 74 -5.551 5.730 14.058 549 HA ASP 74 HA ASP 74 -8.006 4.976 15.255 550 HB2 ASP 74 2HB ASP 74 -6.558 7.533 14.776 551 HB3 ASP 74 3HB ASP 74 -8.279 7.629 15.138 552 H THR 75 H THR 75 -7.138 6.128 12.094 553 HA THR 75 HA THR 75 -9.772 6.917 11.308 554 HB THR 75 HB THR 75 -7.382 6.238 9.583 555 HG1 THR 75 HG1 THR 75 -8.247 8.579 10.891 556 HG21 THR 75 3HG2 THR 75 -9.569 6.155 8.406 557 HG22 THR 75 1HG2 THR 75 -8.513 7.439 7.820 558 HG23 THR 75 2HG2 THR 75 -9.857 7.824 8.894 559 HA PRO 76 HA PRO 76 -11.411 2.886 10.510 560 HB2 PRO 76 2HB PRO 76 -13.575 3.666 9.069 561 HB3 PRO 76 3HB PRO 76 -13.476 3.842 10.825 562 HG2 PRO 76 2HG PRO 76 -13.003 5.883 8.687 563 HG3 PRO 76 3HG PRO 76 -13.882 6.050 10.218 564 HD2 PRO 76 2HD PRO 76 -11.344 6.937 9.890 565 HD3 PRO 76 3HD PRO 76 -11.948 6.323 11.443 566 H ILE 77 H ILE 77 -11.593 1.399 8.822 567 HA ILE 77 HA ILE 77 -10.199 2.173 6.378 568 HB ILE 77 HB ILE 77 -10.771 -0.427 7.723 569 HG12 ILE 77 2HG1 ILE 77 -8.255 -0.195 6.344 570 HG13 ILE 77 3HG1 ILE 77 -8.536 1.246 7.314 571 HG21 ILE 77 1HG2 ILE 77 -10.398 -0.033 4.776 572 HG22 ILE 77 2HG2 ILE 77 -9.873 -1.515 5.574 573 HG23 ILE 77 3HG2 ILE 77 -11.571 -1.041 5.623 574 HD11 ILE 77 3HD1 ILE 77 -7.436 -0.115 8.793 575 HD12 ILE 77 1HD1 ILE 77 -9.120 -0.464 9.183 576 HD13 ILE 77 2HD1 ILE 77 -8.197 -1.582 8.178 577 H ILE 78 H ILE 78 -11.061 2.055 4.349 578 HA ILE 78 HA ILE 78 -13.946 2.083 4.174 579 HB ILE 78 HB ILE 78 -12.125 2.242 1.797 580 HG12 ILE 78 2HG1 ILE 78 -12.674 4.424 3.817 581 HG13 ILE 78 3HG1 ILE 78 -11.107 3.749 3.384 582 HG21 ILE 78 1HG2 ILE 78 -14.363 4.091 2.036 583 HG22 ILE 78 2HG2 ILE 78 -13.932 2.995 0.723 584 HG23 ILE 78 3HG2 ILE 78 -14.850 2.397 2.105 585 HD11 ILE 78 3HD1 ILE 78 -12.563 5.911 2.186 586 HD12 ILE 78 1HD1 ILE 78 -10.896 5.397 1.928 587 HD13 ILE 78 2HD1 ILE 78 -12.199 4.667 0.990 588 H VAL 79 H VAL 79 -14.701 0.018 4.452 589 HA VAL 79 HA VAL 79 -13.596 -2.303 3.316 590 HB VAL 79 HB VAL 79 -16.446 -1.770 4.167 591 HG11 VAL 79 1HG1 VAL 79 -16.435 -4.318 4.422 592 HG12 VAL 79 2HG1 VAL 79 -16.575 -3.660 2.791 593 HG13 VAL 79 3HG1 VAL 79 -15.029 -4.290 3.359 594 HG21 VAL 79 3HG2 VAL 79 -15.188 -1.518 6.094 595 HG22 VAL 79 1HG2 VAL 79 -15.589 -3.235 6.135 596 HG23 VAL 79 2HG2 VAL 79 -13.993 -2.715 5.596 597 H VAL 80 H VAL 80 -13.991 -3.406 1.443 598 HA VAL 80 HA VAL 80 -15.655 -2.027 -0.563 599 HB VAL 80 HB VAL 80 -13.191 -3.690 -1.100 600 HG11 VAL 80 1HG1 VAL 80 -13.399 -2.807 -3.384 601 HG12 VAL 80 2HG1 VAL 80 -14.803 -3.768 -2.915 602 HG13 VAL 80 3HG1 VAL 80 -14.902 -2.007 -2.927 603 HG21 VAL 80 3HG2 VAL 80 -12.197 -1.489 -1.777 604 HG22 VAL 80 1HG2 VAL 80 -13.586 -0.705 -1.024 605 HG23 VAL 80 2HG2 VAL 80 -12.482 -1.671 -0.046 606 H LYS 81 H LYS 81 -16.899 -3.281 -1.961 607 HA LYS 81 HA LYS 81 -17.260 -6.081 -1.115 608 HB2 LYS 81 2HB LYS 81 -19.182 -3.926 -1.801 609 HB3 LYS 81 3HB LYS 81 -19.590 -5.548 -2.345 610 HG2 LYS 81 2HG LYS 81 -19.038 -6.182 0.138 611 HG3 LYS 81 3HG LYS 81 -19.372 -4.472 0.420 612 HD2 LYS 81 2HD LYS 81 -21.583 -4.667 -0.361 613 HD3 LYS 81 3HD LYS 81 -21.266 -6.232 -1.113 614 HE2 LYS 81 2HE LYS 81 -20.761 -6.144 1.774 615 HE3 LYS 81 3HE LYS 81 -22.443 -5.871 1.320 616 HZ1 LYS 81 3HZ LYS 81 -20.941 -8.291 1.299 617 HZ2 LYS 81 1HZ LYS 81 -21.630 -7.989 -0.216 618 HZ3 LYS 81 2HZ LYS 81 -22.611 -8.064 1.159 619 H GLN 82 H GLN 82 -18.157 -7.517 -2.843 620 HA GLN 82 HA GLN 82 -16.509 -7.318 -5.179 621 HB2 GLN 82 2HB GLN 82 -17.109 -9.462 -3.986 622 HB3 GLN 82 3HB GLN 82 -18.723 -9.305 -4.667 623 HG2 GLN 82 2HG GLN 82 -17.164 -10.833 -5.898 624 HG3 GLN 82 3HG GLN 82 -17.928 -9.577 -6.870 625 HE21 GLN 82 1HE2 GLN 82 -16.681 -7.825 -7.587 626 HE22 GLN 82 2HE2 GLN 82 -14.957 -7.910 -7.653 627 H GLY 83 H GLY 83 -17.013 -6.004 -6.805 628 HA2 GLY 83 2HA GLY 83 -18.549 -5.900 -8.764 629 HA3 GLY 83 3HA GLY 83 -19.855 -5.808 -7.592 630 H PHE 84 H PHE 84 -17.009 -4.121 -6.740 631 HA PHE 84 HA PHE 84 -17.958 -1.614 -7.899 632 HB2 PHE 84 2HB PHE 84 -17.315 -1.768 -4.959 633 HB3 PHE 84 3HB PHE 84 -18.086 -0.452 -5.838 634 HD1 PHE 84 HD2 PHE 84 -20.427 -0.615 -6.517 635 HD2 PHE 84 HD1 PHE 84 -18.560 -3.668 -4.213 636 HE1 PHE 84 HE2 PHE 84 -22.638 -1.522 -5.935 637 HE2 PHE 84 HE1 PHE 84 -20.769 -4.580 -3.627 638 HZ PHE 84 HZ PHE 84 -22.812 -3.507 -4.487 639 H GLU 85 H GLU 85 -16.244 -0.891 -8.970 640 HA GLU 85 HA GLU 85 -13.607 -1.064 -7.665 641 HB2 GLU 85 2HB GLU 85 -13.615 -2.506 -9.590 642 HB3 GLU 85 3HB GLU 85 -14.312 -1.244 -10.596 643 HG2 GLU 85 2HG GLU 85 -12.265 0.078 -10.339 644 HG3 GLU 85 3HG GLU 85 -11.566 -1.213 -9.364 645 HA PRO 86 HA PRO 86 -14.474 3.411 -7.990 646 HB2 PRO 86 2HB PRO 86 -12.947 4.067 -5.843 647 HB3 PRO 86 3HB PRO 86 -14.617 3.508 -5.699 648 HG2 PRO 86 2HG PRO 86 -12.070 1.977 -5.343 649 HG3 PRO 86 3HG PRO 86 -13.547 1.936 -4.362 650 HD2 PRO 86 2HD PRO 86 -12.971 0.040 -6.207 651 HD3 PRO 86 3HD PRO 86 -14.634 0.532 -5.831 652 HA PRO 87 HA PRO 87 -10.771 4.315 -10.241 653 HB2 PRO 87 2HB PRO 87 -11.147 6.989 -10.516 654 HB3 PRO 87 3HB PRO 87 -12.055 5.791 -11.446 655 HG2 PRO 87 2HG PRO 87 -12.868 7.293 -8.987 656 HG3 PRO 87 3HG PRO 87 -13.810 6.945 -10.449 657 HD2 PRO 87 2HD PRO 87 -14.090 5.523 -8.162 658 HD3 PRO 87 3HD PRO 87 -14.309 4.800 -9.768 659 H THR 88 H THR 88 -11.549 5.619 -7.153 660 HA THR 88 HA THR 88 -9.194 7.200 -6.802 661 HB THR 88 HB THR 88 -9.897 7.577 -4.605 662 HG1 THR 88 HG1 THR 88 -11.028 6.116 -3.404 663 HG21 THR 88 3HG2 THR 88 -11.538 8.345 -6.329 664 HG22 THR 88 1HG2 THR 88 -12.240 8.080 -4.734 665 HG23 THR 88 2HG2 THR 88 -12.477 6.886 -6.010 666 H PHE 89 H PHE 89 -10.189 3.976 -5.674 667 HA PHE 89 HA PHE 89 -7.891 3.352 -4.224 668 HB2 PHE 89 2HB PHE 89 -9.493 1.780 -3.819 669 HB3 PHE 89 3HB PHE 89 -10.091 1.811 -5.475 670 HD1 PHE 89 HD2 PHE 89 -7.658 0.338 -3.180 671 HD2 PHE 89 HD1 PHE 89 -9.138 0.385 -7.171 672 HE1 PHE 89 HE2 PHE 89 -6.466 -1.764 -3.643 673 HE2 PHE 89 HE1 PHE 89 -7.949 -1.718 -7.640 674 HZ PHE 89 HZ PHE 89 -6.610 -2.794 -5.875 675 H THR 90 H THR 90 -8.651 2.741 -7.637 676 HA THR 90 HA THR 90 -6.431 1.298 -8.390 677 HB THR 90 HB THR 90 -7.339 3.439 -10.254 678 HG1 THR 90 HG1 THR 90 -8.986 1.188 -9.742 679 HG21 THR 90 3HG2 THR 90 -7.075 0.457 -10.625 680 HG22 THR 90 1HG2 THR 90 -5.753 1.596 -10.877 681 HG23 THR 90 2HG2 THR 90 -7.200 1.688 -11.881 682 H GLY 91 H GLY 91 -6.726 4.775 -7.896 683 HA2 GLY 91 2HA GLY 91 -4.347 5.637 -9.051 684 HA3 GLY 91 3HA GLY 91 -5.132 6.411 -7.682 685 H TRP 92 H TRP 92 -4.814 3.751 -6.208 686 HA TRP 92 HA TRP 92 -2.375 4.437 -4.902 687 HB2 TRP 92 2HB TRP 92 -4.166 2.016 -4.617 688 HB3 TRP 92 3HB TRP 92 -2.808 2.384 -3.557 689 HD1 TRP 92 HD1 TRP 92 -6.321 2.536 -3.352 690 HE1 TRP 92 HE1 TRP 92 -7.170 4.449 -1.854 691 HE3 TRP 92 HE3 TRP 92 -2.068 5.367 -3.162 692 HZ2 TRP 92 HZ2 TRP 92 -6.170 6.842 -0.740 693 HZ3 TRP 92 HZ3 TRP 92 -2.098 7.454 -1.859 694 HH2 TRP 92 HH2 TRP 92 -4.107 8.174 -0.674 695 H PHE 93 H PHE 93 -3.188 2.390 -7.534 696 HA PHE 93 HA PHE 93 -0.926 0.639 -7.309 697 HB2 PHE 93 2HB PHE 93 -3.074 1.103 -9.335 698 HB3 PHE 93 3HB PHE 93 -1.625 0.231 -9.824 699 HD1 PHE 93 HD2 PHE 93 -3.613 0.194 -6.671 700 HD2 PHE 93 HD1 PHE 93 -2.142 -2.000 -10.009 701 HE1 PHE 93 HE2 PHE 93 -4.541 -1.874 -5.716 702 HE2 PHE 93 HE1 PHE 93 -3.069 -4.072 -9.059 703 HZ PHE 93 HZ PHE 93 -4.269 -4.011 -6.910 704 H MET 94 H MET 94 0.558 0.454 -9.315 705 HA MET 94 HA MET 94 1.933 2.976 -9.556 706 HB2 MET 94 2HB MET 94 2.731 0.541 -11.097 707 HB3 MET 94 3HB MET 94 3.744 1.767 -10.348 708 HG2 MET 94 2HG MET 94 2.594 0.725 -8.159 709 HG3 MET 94 3HG MET 94 2.580 -0.687 -9.214 710 HE1 MET 94 3HE MET 94 5.482 0.304 -6.396 711 HE2 MET 94 1HE MET 94 5.576 1.795 -7.334 712 HE3 MET 94 2HE MET 94 4.012 1.204 -6.772 713 H ALA 95 H ALA 95 -0.417 1.288 -11.336 714 HA ALA 95 HA ALA 95 0.193 2.839 -13.765 715 HB1 ALA 95 1HB ALA 95 -0.665 1.166 -15.065 716 HB2 ALA 95 2HB ALA 95 -0.047 0.216 -13.713 717 HB3 ALA 95 3HB ALA 95 -1.766 0.601 -13.808 718 H TRP 96 H TRP 96 -0.923 4.683 -13.768 719 HA TRP 96 HA TRP 96 -3.181 5.306 -12.310 720 HB2 TRP 96 2HB TRP 96 -1.914 6.427 -14.762 721 HB3 TRP 96 3HB TRP 96 -3.543 6.968 -14.365 722 HD1 TRP 96 HD1 TRP 96 -0.199 8.105 -13.907 723 HE1 TRP 96 HE1 TRP 96 0.066 9.586 -11.818 724 HE3 TRP 96 HE3 TRP 96 -4.546 6.900 -11.502 725 HZ2 TRP 96 HZ2 TRP 96 -1.378 10.166 -9.463 726 HZ3 TRP 96 HZ3 TRP 96 -5.029 7.962 -9.336 727 HH2 TRP 96 HH2 TRP 96 -3.476 9.560 -8.338 728 H ASP 97 H ASP 97 -5.388 5.770 -13.097 729 HA ASP 97 HA ASP 97 -6.273 3.745 -15.048 730 HB2 ASP 97 2HB ASP 97 -6.875 3.576 -12.470 731 HB3 ASP 97 3HB ASP 97 -8.127 4.728 -12.925 732 HA PRO 98 HA PRO 98 -7.927 7.110 -17.370 733 HB2 PRO 98 2HB PRO 98 -9.633 5.696 -18.939 734 HB3 PRO 98 3HB PRO 98 -7.881 5.682 -19.169 735 HG2 PRO 98 2HG PRO 98 -9.626 3.678 -17.791 736 HG3 PRO 98 3HG PRO 98 -8.273 3.405 -18.904 737 HD2 PRO 98 2HD PRO 98 -8.018 3.177 -16.218 738 HD3 PRO 98 3HD PRO 98 -6.690 3.729 -17.260 739 H LEU 99 H LEU 99 -9.702 5.200 -15.195 740 HA LEU 99 HA LEU 99 -12.227 6.569 -15.655 741 HB2 LEU 99 2HB LEU 99 -11.380 4.447 -13.695 742 HB3 LEU 99 3HB LEU 99 -12.988 5.168 -13.713 743 HG LEU 99 HG LEU 99 -11.842 3.750 -16.104 744 HD11 LEU 99 1HD1 LEU 99 -13.041 2.635 -13.630 745 HD12 LEU 99 2HD1 LEU 99 -11.819 1.956 -14.704 746 HD13 LEU 99 3HD1 LEU 99 -13.519 1.927 -15.173 747 HD21 LEU 99 3HD2 LEU 99 -13.813 5.303 -16.317 748 HD22 LEU 99 1HD2 LEU 99 -14.705 4.185 -15.285 749 HD23 LEU 99 2HD2 LEU 99 -14.091 3.644 -16.847 750 H CYS 100 H CYS 100 -9.540 7.648 -14.426 751 HA CYS 100 HA CYS 100 -10.244 8.502 -11.802 752 HB2 CYS 100 2HB CYS 100 -8.049 9.070 -13.727 753 HB3 CYS 100 3HB CYS 100 -8.330 10.255 -12.457 754 HG CYS 100 HG CYS 100 -8.333 7.735 -10.671 755 H TRP 101 H TRP 101 -11.172 9.524 -14.893 756 HA TRP 101 HA TRP 101 -11.759 12.256 -14.060 757 HB2 TRP 101 2HB TRP 101 -11.677 10.798 -16.652 758 HB3 TRP 101 3HB TRP 101 -12.794 12.155 -16.526 759 HD1 TRP 101 HD1 TRP 101 -9.211 11.932 -15.067 760 HE1 TRP 101 HE1 TRP 101 -7.840 13.885 -16.030 761 HE3 TRP 101 HE3 TRP 101 -12.699 13.874 -18.261 762 HZ2 TRP 101 HZ2 TRP 101 -8.190 15.973 -17.897 763 HZ3 TRP 101 HZ3 TRP 101 -12.101 15.850 -19.599 764 HH2 TRP 101 HH2 TRP 101 -9.893 16.877 -19.419 765 H SER 102 H SER 102 -13.142 9.624 -13.183 766 HA SER 102 HA SER 102 -15.793 9.683 -14.126 767 HB2 SER 102 2HB SER 102 -16.277 8.111 -12.459 768 HB3 SER 102 3HB SER 102 -14.557 7.858 -12.753 769 HG SER 102 HG SER 102 -15.840 9.038 -10.561 770 H ASP 103 H ASP 103 -14.111 11.792 -12.069 771 HA ASP 103 HA ASP 103 -16.557 12.784 -10.803 772 HB2 ASP 103 2HB ASP 103 -13.641 13.418 -10.325 773 HB3 ASP 103 3HB ASP 103 -14.967 14.232 -9.500 774 H ARG 104 H ARG 104 -14.245 13.560 -13.260 775 HA ARG 104 HA ARG 104 -14.554 16.316 -13.469 776 HB2 ARG 104 2HB ARG 104 -13.782 14.136 -15.339 777 HB3 ARG 104 3HB ARG 104 -14.203 15.691 -16.044 778 HG2 ARG 104 2HG ARG 104 -12.454 16.175 -13.868 779 HG3 ARG 104 3HG ARG 104 -11.761 14.884 -14.853 780 HD2 ARG 104 2HD ARG 104 -10.930 16.670 -15.988 781 HD3 ARG 104 3HD ARG 104 -12.481 16.526 -16.814 782 HE ARG 104 HE ARG 104 -13.038 18.568 -15.977 783 HH11 ARG 104 1HH1 ARG 104 -10.539 17.203 -13.975 784 HH12 ARG 104 2HH1 ARG 104 -10.380 18.615 -12.984 785 HH21 ARG 104 1HH2 ARG 104 -12.839 20.433 -14.680 786 HH22 ARG 104 2HH2 ARG 104 -11.690 20.452 -13.385 787 H LYS 105 H LYS 105 -16.709 13.746 -14.338 788 HA LYS 105 HA LYS 105 -18.396 15.445 -15.975 789 HB2 LYS 105 2HB LYS 105 -18.326 12.560 -15.252 790 HB3 LYS 105 3HB LYS 105 -19.885 13.245 -15.691 791 HG2 LYS 105 2HG LYS 105 -17.640 13.865 -17.500 792 HG3 LYS 105 3HG LYS 105 -18.175 12.184 -17.460 793 HD2 LYS 105 2HD LYS 105 -20.482 13.840 -17.540 794 HD3 LYS 105 3HD LYS 105 -19.367 14.397 -18.789 795 HE2 LYS 105 2HE LYS 105 -19.541 12.479 -19.990 796 HE3 LYS 105 3HE LYS 105 -19.748 11.474 -18.557 797 HZ1 LYS 105 3HZ LYS 105 -21.831 11.380 -19.443 798 HZ2 LYS 105 1HZ LYS 105 -21.759 12.934 -20.109 799 HZ3 LYS 105 2HZ LYS 105 -22.021 12.736 -18.450 800 H SER 106 H SER 106 -18.107 14.528 -12.686 801 HA SER 106 HA SER 106 -20.764 14.721 -11.823 802 HB2 SER 106 2HB SER 106 -19.917 14.738 -9.651 803 HB3 SER 106 3HB SER 106 -18.608 13.972 -10.550 804 HG SER 106 HG SER 106 -18.684 16.408 -9.272 805 H TYR 107 H TYR 107 -21.135 16.591 -9.996 806 HA TYR 107 HA TYR 107 -20.746 19.161 -11.383 807 HB2 TYR 107 2HB TYR 107 -23.076 18.269 -11.607 808 HB3 TYR 107 3HB TYR 107 -23.226 18.351 -9.855 809 HD1 TYR 107 HD2 TYR 107 -22.238 20.565 -12.705 810 HD2 TYR 107 HD1 TYR 107 -24.250 20.217 -8.972 811 HE1 TYR 107 HE2 TYR 107 -22.963 22.908 -12.883 812 HE2 TYR 107 HE1 TYR 107 -24.981 22.559 -9.140 813 HH TYR 107 HH TYR 107 -24.955 24.297 -11.912 Start of MODEL 6 1 HA PRO 1 HA PRO 1 1.924 0.664 -1.854 2 HB2 PRO 1 2HB PRO 1 4.421 -0.362 -1.567 3 HB3 PRO 1 3HB PRO 1 3.947 1.210 -0.912 4 HG2 PRO 1 2HG PRO 1 4.163 -1.433 0.477 5 HG3 PRO 1 3HG PRO 1 4.687 0.168 1.031 6 HD2 PRO 1 2HD PRO 1 2.384 -0.983 1.871 7 HD3 PRO 1 3HD PRO 1 2.563 0.774 1.689 8 H ARG 2 H ARG 2 1.992 -2.470 -0.299 9 HA ARG 2 HA ARG 2 1.957 -3.742 -2.958 10 HB2 ARG 2 2HB ARG 2 2.988 -4.968 -0.395 11 HB3 ARG 2 3HB ARG 2 3.036 -5.689 -1.999 12 HG2 ARG 2 2HG ARG 2 5.079 -4.854 -2.198 13 HG3 ARG 2 3HG ARG 2 4.333 -3.258 -2.304 14 HD2 ARG 2 2HD ARG 2 5.795 -2.922 -0.572 15 HD3 ARG 2 3HD ARG 2 4.356 -3.422 0.314 16 HE ARG 2 HE ARG 2 5.505 -5.258 1.022 17 HH11 ARG 2 1HH1 ARG 2 7.047 -4.023 -1.845 18 HH12 ARG 2 2HH1 ARG 2 8.369 -5.141 -1.773 19 HH21 ARG 2 1HH2 ARG 2 7.239 -6.735 1.127 20 HH22 ARG 2 2HH2 ARG 2 8.477 -6.684 -0.083 21 H LEU 3 H LEU 3 1.017 -6.102 -2.670 22 HA LEU 3 HA LEU 3 -1.577 -5.760 -1.336 23 HB2 LEU 3 2HB LEU 3 -0.664 -7.177 -3.775 24 HB3 LEU 3 3HB LEU 3 -1.990 -7.902 -2.867 25 HG LEU 3 HG LEU 3 -1.974 -5.120 -4.038 26 HD11 LEU 3 1HD1 LEU 3 -2.141 -7.277 -5.528 27 HD12 LEU 3 2HD1 LEU 3 -3.201 -5.895 -5.807 28 HD13 LEU 3 3HD1 LEU 3 -3.798 -7.299 -4.923 29 HD21 LEU 3 3HD2 LEU 3 -4.544 -6.197 -3.314 30 HD22 LEU 3 1HD2 LEU 3 -3.786 -4.678 -2.833 31 HD23 LEU 3 2HD2 LEU 3 -3.469 -6.151 -1.916 32 H PHE 4 H PHE 4 -2.566 -8.061 -0.816 33 HA PHE 4 HA PHE 4 -0.634 -9.927 0.261 34 HB2 PHE 4 2HB PHE 4 -2.481 -8.357 2.068 35 HB3 PHE 4 3HB PHE 4 -1.605 -9.800 2.565 36 HD1 PHE 4 HD1 PHE 4 0.892 -9.763 2.594 37 HD2 PHE 4 HD2 PHE 4 -1.440 -6.249 2.018 38 HE1 PHE 4 HE1 PHE 4 2.838 -8.379 3.187 39 HE2 PHE 4 HE2 PHE 4 0.502 -4.859 2.610 40 HZ PHE 4 HZ PHE 4 2.645 -5.924 3.194 41 H GLU 5 H GLU 5 -1.515 -11.576 -0.897 42 HA GLU 5 HA GLU 5 -4.384 -12.038 -0.826 43 HB2 GLU 5 2HB GLU 5 -2.102 -13.033 -2.428 44 HB3 GLU 5 3HB GLU 5 -3.415 -14.173 -2.165 45 HG2 GLU 5 2HG GLU 5 -4.874 -13.010 -3.446 46 HG3 GLU 5 3HG GLU 5 -4.162 -11.450 -3.039 47 H CYS 6 H CYS 6 -5.188 -13.004 0.917 48 HA CYS 6 HA CYS 6 -3.764 -15.347 1.988 49 HB2 CYS 6 2HB CYS 6 -5.424 -13.572 3.752 50 HB3 CYS 6 3HB CYS 6 -4.163 -14.713 4.204 51 HG CYS 6 HG CYS 6 -3.848 -11.536 3.053 52 H SER 7 H SER 7 -4.937 -17.065 1.451 53 HA SER 7 HA SER 7 -7.808 -17.033 2.044 54 HB2 SER 7 2HB SER 7 -7.111 -16.720 -0.496 55 HB3 SER 7 3HB SER 7 -6.913 -18.470 -0.418 56 HG SER 7 HG SER 7 -9.051 -17.716 -1.038 57 H ASN 8 H ASN 8 -8.732 -19.145 2.364 58 HA ASN 8 HA ASN 8 -6.787 -21.004 3.489 59 HB2 ASN 8 2HB ASN 8 -8.863 -22.133 4.401 60 HB3 ASN 8 3HB ASN 8 -8.581 -20.491 4.973 61 HD21 ASN 8 1HD2 ASN 8 -10.467 -19.547 5.239 62 HD22 ASN 8 2HD2 ASN 8 -11.786 -19.577 4.123 63 H LYS 9 H LYS 9 -6.505 -23.089 2.818 64 HA LYS 9 HA LYS 9 -7.190 -23.692 0.111 65 HB2 LYS 9 2HB LYS 9 -5.687 -25.085 2.290 66 HB3 LYS 9 3HB LYS 9 -6.188 -26.005 0.878 67 HG2 LYS 9 2HG LYS 9 -4.879 -24.698 -0.571 68 HG3 LYS 9 3HG LYS 9 -4.639 -23.445 0.649 69 HD2 LYS 9 2HD LYS 9 -2.611 -24.637 0.579 70 HD3 LYS 9 3HD LYS 9 -3.444 -25.229 2.018 71 HE2 LYS 9 2HE LYS 9 -3.809 -26.644 -0.587 72 HE3 LYS 9 3HE LYS 9 -2.334 -26.904 0.342 73 HZ1 LYS 9 3HZ LYS 9 -4.996 -27.860 0.834 74 HZ2 LYS 9 1HZ LYS 9 -4.287 -27.156 2.200 75 HZ3 LYS 9 2HZ LYS 9 -3.516 -28.440 1.413 76 H THR 10 H THR 10 -7.956 -25.342 3.182 77 HA THR 10 HA THR 10 -10.539 -26.129 2.025 78 HB THR 10 HB THR 10 -10.371 -28.379 2.825 79 HG1 THR 10 HG1 THR 10 -9.212 -28.403 4.645 80 HG21 THR 10 3HG2 THR 10 -8.662 -29.265 1.422 81 HG22 THR 10 1HG2 THR 10 -7.713 -27.783 1.532 82 HG23 THR 10 2HG2 THR 10 -9.241 -27.789 0.650 83 H GLY 11 H GLY 11 -8.629 -26.311 5.041 84 HA2 GLY 11 2HA GLY 11 -10.950 -25.171 6.454 85 HA3 GLY 11 3HA GLY 11 -10.169 -26.619 7.072 86 H ARG 12 H ARG 12 -7.817 -24.762 5.686 87 HA ARG 12 HA ARG 12 -7.251 -23.355 8.212 88 HB2 ARG 12 2HB ARG 12 -5.256 -24.748 6.416 89 HB3 ARG 12 3HB ARG 12 -4.860 -23.820 7.857 90 HG2 ARG 12 2HG ARG 12 -6.737 -26.129 8.060 91 HG3 ARG 12 3HG ARG 12 -4.998 -26.412 7.966 92 HD2 ARG 12 2HD ARG 12 -5.504 -24.324 9.846 93 HD3 ARG 12 3HD ARG 12 -6.540 -25.699 10.224 94 HE ARG 12 HE ARG 12 -3.699 -25.547 10.531 95 HH11 ARG 12 1HH1 ARG 12 -6.373 -27.701 9.958 96 HH12 ARG 12 2HH1 ARG 12 -5.559 -29.091 10.598 97 HH21 ARG 12 1HH2 ARG 12 -2.618 -27.369 11.376 98 HH22 ARG 12 2HH2 ARG 12 -3.424 -28.900 11.405 99 H PHE 13 H PHE 13 -6.604 -21.275 8.064 100 HA PHE 13 HA PHE 13 -6.783 -20.009 5.468 101 HB2 PHE 13 2HB PHE 13 -7.856 -18.693 7.033 102 HB3 PHE 13 3HB PHE 13 -6.691 -19.066 8.300 103 HD1 PHE 13 HD1 PHE 13 -4.581 -17.863 8.445 104 HD2 PHE 13 HD2 PHE 13 -7.483 -16.899 5.484 105 HE1 PHE 13 HE1 PHE 13 -3.435 -15.727 8.021 106 HE2 PHE 13 HE2 PHE 13 -6.340 -14.763 5.055 107 HZ PHE 13 HZ PHE 13 -4.313 -14.175 6.324 108 H LEU 14 H LEU 14 -5.155 -19.018 4.357 109 HA LEU 14 HA LEU 14 -2.437 -19.313 5.456 110 HB2 LEU 14 2HB LEU 14 -3.564 -19.989 2.798 111 HB3 LEU 14 3HB LEU 14 -1.935 -19.320 2.839 112 HG LEU 14 HG LEU 14 -1.863 -21.741 2.764 113 HD11 LEU 14 1HD1 LEU 14 -0.170 -20.452 4.069 114 HD12 LEU 14 2HD1 LEU 14 -0.377 -22.124 4.591 115 HD13 LEU 14 3HD1 LEU 14 -1.098 -20.813 5.525 116 HD21 LEU 14 3HD2 LEU 14 -4.136 -21.687 4.255 117 HD22 LEU 14 1HD2 LEU 14 -2.935 -22.142 5.464 118 HD23 LEU 14 2HD2 LEU 14 -3.131 -23.115 4.006 119 H ALA 15 H ALA 15 -1.184 -17.546 5.477 120 HA ALA 15 HA ALA 15 -2.233 -15.121 4.176 121 HB1 ALA 15 1HB ALA 15 -1.421 -13.835 5.912 122 HB2 ALA 15 2HB ALA 15 -1.921 -15.304 6.750 123 HB3 ALA 15 3HB ALA 15 -0.218 -15.037 6.380 124 H THR 16 H THR 16 -1.158 -14.426 2.461 125 HA THR 16 HA THR 16 1.756 -14.738 2.367 126 HB THR 16 HB THR 16 -0.018 -15.380 0.006 127 HG1 THR 16 HG1 THR 16 0.043 -17.411 0.631 128 HG21 THR 16 3HG2 THR 16 2.632 -16.439 -0.140 129 HG22 THR 16 1HG2 THR 16 2.723 -14.713 0.207 130 HG23 THR 16 2HG2 THR 16 1.844 -15.282 -1.212 131 H GLU 17 H GLU 17 2.814 -13.011 1.555 132 HA GLU 17 HA GLU 17 1.232 -10.672 0.882 133 HB2 GLU 17 2HB GLU 17 2.987 -10.205 2.388 134 HB3 GLU 17 3HB GLU 17 4.151 -11.129 1.449 135 HG2 GLU 17 2HG GLU 17 2.876 -8.743 0.213 136 HG3 GLU 17 3HG GLU 17 4.151 -8.514 1.409 137 H ILE 18 H ILE 18 1.386 -9.507 -1.037 138 HA ILE 18 HA ILE 18 2.786 -10.832 -3.259 139 HB ILE 18 HB ILE 18 -0.001 -9.676 -3.406 140 HG12 ILE 18 2HG1 ILE 18 0.087 -11.843 -2.229 141 HG13 ILE 18 3HG1 ILE 18 -0.736 -11.976 -3.779 142 HG21 ILE 18 1HG2 ILE 18 1.978 -10.175 -5.412 143 HG22 ILE 18 2HG2 ILE 18 0.600 -11.247 -5.659 144 HG23 ILE 18 3HG2 ILE 18 0.358 -9.501 -5.589 145 HD11 ILE 18 3HD1 ILE 18 1.481 -13.448 -2.808 146 HD12 ILE 18 1HD1 ILE 18 0.625 -13.619 -4.340 147 HD13 ILE 18 2HD1 ILE 18 2.001 -12.522 -4.216 148 H VAL 19 H VAL 19 4.233 -9.479 -4.069 149 HA VAL 19 HA VAL 19 4.604 -6.838 -3.495 150 HB VAL 19 HB VAL 19 5.210 -8.076 -6.183 151 HG11 VAL 19 1HG1 VAL 19 5.749 -5.892 -6.526 152 HG12 VAL 19 2HG1 VAL 19 6.018 -5.573 -4.811 153 HG13 VAL 19 3HG1 VAL 19 7.244 -6.421 -5.755 154 HG21 VAL 19 3HG2 VAL 19 6.493 -9.505 -5.044 155 HG22 VAL 19 1HG2 VAL 19 7.520 -8.121 -4.668 156 HG23 VAL 19 2HG2 VAL 19 6.268 -8.624 -3.533 157 H ASP 20 H ASP 20 4.130 -4.863 -4.511 158 HA ASP 20 HA ASP 20 1.553 -4.332 -5.199 159 HB2 ASP 20 2HB ASP 20 3.480 -2.694 -4.774 160 HB3 ASP 20 3HB ASP 20 3.829 -2.841 -6.494 161 H PHE 21 H PHE 21 0.559 -5.726 -6.597 162 HA PHE 21 HA PHE 21 1.603 -5.821 -9.349 163 HB2 PHE 21 2HB PHE 21 0.195 -7.814 -7.646 164 HB3 PHE 21 3HB PHE 21 -0.166 -7.825 -9.369 165 HD1 PHE 21 HD2 PHE 21 3.105 -6.935 -7.929 166 HD2 PHE 21 HD1 PHE 21 0.795 -9.926 -9.887 167 HE1 PHE 21 HE2 PHE 21 5.150 -8.237 -8.346 168 HE2 PHE 21 HE1 PHE 21 2.837 -11.233 -10.307 169 HZ PHE 21 HZ PHE 21 5.019 -10.388 -9.537 170 H THR 22 H THR 22 -0.323 -6.335 -10.937 171 HA THR 22 HA THR 22 -2.276 -4.187 -10.523 172 HB THR 22 HB THR 22 -2.555 -4.066 -12.867 173 HG1 THR 22 HG1 THR 22 -1.316 -5.747 -14.159 174 HG21 THR 22 3HG2 THR 22 -0.461 -3.083 -12.151 175 HG22 THR 22 1HG2 THR 22 -0.243 -3.834 -13.731 176 HG23 THR 22 2HG2 THR 22 0.351 -4.643 -12.280 177 H GLN 23 H GLN 23 -4.418 -4.664 -11.794 178 HA GLN 23 HA GLN 23 -5.790 -6.666 -10.403 179 HB2 GLN 23 2HB GLN 23 -6.551 -5.259 -12.967 180 HB3 GLN 23 3HB GLN 23 -7.648 -6.217 -11.982 181 HG2 GLN 23 2HG GLN 23 -7.368 -4.669 -10.131 182 HG3 GLN 23 3HG GLN 23 -6.225 -3.722 -11.082 183 HE21 GLN 23 1HE2 GLN 23 -8.952 -3.199 -9.875 184 HE22 GLN 23 2HE2 GLN 23 -9.858 -2.505 -11.173 185 H ASP 24 H ASP 24 -3.877 -6.826 -13.238 186 HA ASP 24 HA ASP 24 -5.004 -8.940 -14.639 187 HB2 ASP 24 2HB ASP 24 -2.096 -8.213 -14.250 188 HB3 ASP 24 3HB ASP 24 -2.661 -9.407 -15.415 189 H ASP 25 H ASP 25 -2.692 -9.036 -11.946 190 HA ASP 25 HA ASP 25 -2.801 -11.931 -11.848 191 HB2 ASP 25 2HB ASP 25 -1.202 -9.805 -10.516 192 HB3 ASP 25 3HB ASP 25 -1.405 -11.324 -9.648 193 H LEU 26 H LEU 26 -4.630 -9.392 -10.645 194 HA LEU 26 HA LEU 26 -5.301 -10.313 -8.069 195 HB2 LEU 26 2HB LEU 26 -5.755 -8.038 -8.966 196 HB3 LEU 26 3HB LEU 26 -7.031 -8.732 -9.964 197 HG LEU 26 HG LEU 26 -7.214 -9.218 -7.050 198 HD11 LEU 26 1HD1 LEU 26 -6.505 -6.888 -7.097 199 HD12 LEU 26 2HD1 LEU 26 -8.202 -7.024 -6.638 200 HD13 LEU 26 3HD1 LEU 26 -7.769 -6.518 -8.271 201 HD21 LEU 26 3HD2 LEU 26 -8.822 -9.798 -9.080 202 HD22 LEU 26 1HD2 LEU 26 -9.414 -8.171 -8.742 203 HD23 LEU 26 2HD2 LEU 26 -9.442 -9.400 -7.477 204 H ASP 27 H ASP 27 -6.068 -12.289 -7.693 205 HA ASP 27 HA ASP 27 -7.386 -13.947 -9.492 206 HB2 ASP 27 2HB ASP 27 -7.152 -13.882 -6.511 207 HB3 ASP 27 3HB ASP 27 -8.289 -15.007 -7.250 208 H GLU 28 H GLU 28 -9.651 -14.811 -9.202 209 HA GLU 28 HA GLU 28 -11.513 -12.781 -9.708 210 HB2 GLU 28 2HB GLU 28 -11.947 -15.667 -8.925 211 HB3 GLU 28 3HB GLU 28 -13.219 -14.596 -9.495 212 HG2 GLU 28 2HG GLU 28 -12.021 -14.322 -11.617 213 HG3 GLU 28 3HG GLU 28 -10.779 -15.434 -11.044 214 H ASN 29 H ASN 29 -11.506 -15.016 -6.925 215 HA ASN 29 HA ASN 29 -12.592 -12.823 -5.286 216 HB2 ASN 29 2HB ASN 29 -13.370 -15.746 -5.153 217 HB3 ASN 29 3HB ASN 29 -13.950 -14.484 -4.069 218 HD21 ASN 29 1HD2 ASN 29 -14.298 -16.005 -7.105 219 HD22 ASN 29 2HD2 ASN 29 -15.621 -15.056 -7.685 220 H ASP 30 H ASP 30 -10.830 -12.258 -4.132 221 HA ASP 30 HA ASP 30 -9.772 -14.233 -2.272 222 HB2 ASP 30 2HB ASP 30 -8.192 -12.919 -4.432 223 HB3 ASP 30 3HB ASP 30 -7.422 -13.130 -2.861 224 H VAL 31 H VAL 31 -8.311 -13.164 -0.631 225 HA VAL 31 HA VAL 31 -9.473 -10.565 0.080 226 HB VAL 31 HB VAL 31 -7.945 -12.510 1.814 227 HG11 VAL 31 1HG1 VAL 31 -9.424 -9.970 2.488 228 HG12 VAL 31 2HG1 VAL 31 -8.803 -11.119 3.675 229 HG13 VAL 31 3HG1 VAL 31 -7.688 -10.252 2.618 230 HG21 VAL 31 3HG2 VAL 31 -10.655 -12.148 2.612 231 HG22 VAL 31 1HG2 VAL 31 -10.622 -12.579 0.902 232 HG23 VAL 31 2HG2 VAL 31 -9.845 -13.626 2.090 233 H TYR 32 H TYR 32 -8.284 -8.916 -0.645 234 HA TYR 32 HA TYR 32 -5.354 -9.103 -0.451 235 HB2 TYR 32 2HB TYR 32 -6.682 -6.935 -2.012 236 HB3 TYR 32 3HB TYR 32 -5.156 -7.760 -2.312 237 HD1 TYR 32 HD1 TYR 32 -8.811 -7.972 -2.687 238 HD2 TYR 32 HD2 TYR 32 -5.071 -9.775 -3.614 239 HE1 TYR 32 HE1 TYR 32 -9.920 -9.401 -4.354 240 HE2 TYR 32 HE2 TYR 32 -6.169 -11.208 -5.285 241 HH TYR 32 HH TYR 32 -8.083 -11.787 -6.241 242 H LEU 33 H LEU 33 -4.235 -7.016 0.023 243 HA LEU 33 HA LEU 33 -5.778 -5.181 1.694 244 HB2 LEU 33 2HB LEU 33 -3.366 -6.735 2.603 245 HB3 LEU 33 3HB LEU 33 -3.957 -5.294 3.428 246 HG LEU 33 HG LEU 33 -6.077 -7.222 3.097 247 HD11 LEU 33 1HD1 LEU 33 -3.722 -8.181 4.708 248 HD12 LEU 33 2HD1 LEU 33 -4.127 -8.788 3.103 249 HD13 LEU 33 3HD1 LEU 33 -5.256 -9.009 4.439 250 HD21 LEU 33 3HD2 LEU 33 -5.309 -5.245 4.863 251 HD22 LEU 33 1HD2 LEU 33 -5.095 -6.733 5.786 252 HD23 LEU 33 2HD2 LEU 33 -6.662 -6.359 5.067 253 H LEU 34 H LEU 34 -5.403 -3.268 0.794 254 HA LEU 34 HA LEU 34 -2.679 -2.662 -0.146 255 HB2 LEU 34 2HB LEU 34 -4.267 -2.586 -1.941 256 HB3 LEU 34 3HB LEU 34 -5.349 -1.562 -1.001 257 HG LEU 34 HG LEU 34 -3.215 0.044 -1.067 258 HD11 LEU 34 1HD1 LEU 34 -1.645 -0.955 -2.349 259 HD12 LEU 34 2HD1 LEU 34 -2.585 -0.228 -3.652 260 HD13 LEU 34 3HD1 LEU 34 -2.822 -1.925 -3.234 261 HD21 LEU 34 3HD2 LEU 34 -5.724 -0.029 -2.216 262 HD22 LEU 34 1HD2 LEU 34 -4.647 0.232 -3.587 263 HD23 LEU 34 2HD2 LEU 34 -4.615 1.343 -2.217 264 H ASP 35 H ASP 35 -1.719 -1.752 1.600 265 HA ASP 35 HA ASP 35 -3.105 0.161 3.259 266 HB2 ASP 35 2HB ASP 35 -0.146 -0.249 3.399 267 HB3 ASP 35 3HB ASP 35 -1.300 0.026 4.701 268 H THR 36 H THR 36 -3.413 2.170 2.578 269 HA THR 36 HA THR 36 -1.381 3.421 0.860 270 HB THR 36 HB THR 36 -3.004 4.688 -0.146 271 HG1 THR 36 HG1 THR 36 -4.303 5.797 1.089 272 HG21 THR 36 3HG2 THR 36 -3.556 2.316 -0.514 273 HG22 THR 36 1HG2 THR 36 -4.991 3.340 -0.556 274 HG23 THR 36 2HG2 THR 36 -4.645 2.365 0.872 275 H TRP 37 H TRP 37 -1.714 6.020 1.170 276 HA TRP 37 HA TRP 37 -0.463 6.587 3.644 277 HB2 TRP 37 2HB TRP 37 -0.167 7.873 1.493 278 HB3 TRP 37 3HB TRP 37 -1.750 8.588 1.781 279 HD1 TRP 37 HD1 TRP 37 -0.459 8.408 5.101 280 HE1 TRP 37 HE1 TRP 37 0.732 10.575 5.815 281 HE3 TRP 37 HE3 TRP 37 0.171 10.542 0.498 282 HZ2 TRP 37 HZ2 TRP 37 1.797 12.884 4.589 283 HZ3 TRP 37 HZ3 TRP 37 1.285 12.731 0.356 284 HH2 TRP 37 HH2 TRP 37 2.080 13.876 2.360 285 H ASP 38 H ASP 38 -3.641 7.615 2.385 286 HA ASP 38 HA ASP 38 -4.544 8.759 4.785 287 HB2 ASP 38 2HB ASP 38 -6.218 7.536 2.581 288 HB3 ASP 38 3HB ASP 38 -6.765 8.702 3.783 289 H GLN 39 H GLN 39 -5.076 5.524 3.417 290 HA GLN 39 HA GLN 39 -5.078 4.224 5.899 291 HB2 GLN 39 2HB GLN 39 -7.327 5.578 5.850 292 HB3 GLN 39 3HB GLN 39 -7.864 4.267 4.809 293 HG2 GLN 39 2HG GLN 39 -8.448 3.957 7.191 294 HG3 GLN 39 3HG GLN 39 -7.469 2.652 6.523 295 HE21 GLN 39 1HE2 GLN 39 -6.512 5.857 7.661 296 HE22 GLN 39 2HE2 GLN 39 -5.448 5.295 8.901 297 H ILE 40 H ILE 40 -5.823 1.929 5.716 298 HA ILE 40 HA ILE 40 -4.962 0.871 3.173 299 HB ILE 40 HB ILE 40 -5.986 -0.724 5.515 300 HG12 ILE 40 2HG1 ILE 40 -3.279 -0.848 5.741 301 HG13 ILE 40 3HG1 ILE 40 -3.485 0.814 5.198 302 HG21 ILE 40 1HG2 ILE 40 -5.293 -1.519 3.005 303 HG22 ILE 40 2HG2 ILE 40 -3.774 -1.723 3.876 304 HG23 ILE 40 3HG2 ILE 40 -5.231 -2.542 4.440 305 HD11 ILE 40 3HD1 ILE 40 -5.390 0.516 7.178 306 HD12 ILE 40 1HD1 ILE 40 -3.989 -0.365 7.785 307 HD13 ILE 40 2HD1 ILE 40 -3.833 1.330 7.324 308 H PHE 41 H PHE 41 -6.185 -0.043 1.624 309 HA PHE 41 HA PHE 41 -9.080 0.155 1.913 310 HB2 PHE 41 2HB PHE 41 -7.180 0.041 -0.370 311 HB3 PHE 41 3HB PHE 41 -8.788 -0.628 -0.632 312 HD1 PHE 41 HD2 PHE 41 -7.168 2.420 0.781 313 HD2 PHE 41 HD1 PHE 41 -10.431 0.776 -1.401 314 HE1 PHE 41 HE2 PHE 41 -8.040 4.687 0.384 315 HE2 PHE 41 HE1 PHE 41 -11.308 3.040 -1.803 316 HZ PHE 41 HZ PHE 41 -10.113 4.999 -0.909 317 H PHE 42 H PHE 42 -10.220 -1.548 2.526 318 HA PHE 42 HA PHE 42 -9.078 -4.221 2.269 319 HB2 PHE 42 2HB PHE 42 -11.232 -2.995 3.934 320 HB3 PHE 42 3HB PHE 42 -11.311 -4.722 3.605 321 HD1 PHE 42 HD1 PHE 42 -8.092 -3.027 3.868 322 HD2 PHE 42 HD2 PHE 42 -11.047 -5.274 5.950 323 HE1 PHE 42 HE1 PHE 42 -6.489 -3.442 5.689 324 HE2 PHE 42 HE2 PHE 42 -9.450 -5.692 7.774 325 HZ PHE 42 HZ PHE 42 -7.168 -4.775 7.646 326 H TRP 43 H TRP 43 -9.435 -5.130 0.344 327 HA TRP 43 HA TRP 43 -12.038 -4.760 -0.952 328 HB2 TRP 43 2HB TRP 43 -9.296 -5.350 -1.902 329 HB3 TRP 43 3HB TRP 43 -10.603 -6.149 -2.773 330 HD1 TRP 43 HD1 TRP 43 -10.553 -2.526 -1.393 331 HE1 TRP 43 HE1 TRP 43 -10.997 -0.924 -3.358 332 HE3 TRP 43 HE3 TRP 43 -10.694 -5.934 -5.201 333 HZ2 TRP 43 HZ2 TRP 43 -11.359 -1.084 -6.153 334 HZ3 TRP 43 HZ3 TRP 43 -11.095 -5.128 -7.491 335 HH2 TRP 43 HH2 TRP 43 -11.421 -2.753 -7.955 336 H ILE 44 H ILE 44 -13.476 -6.209 -0.228 337 HA ILE 44 HA ILE 44 -12.620 -9.014 0.029 338 HB ILE 44 HB ILE 44 -14.945 -7.570 1.300 339 HG12 ILE 44 2HG1 ILE 44 -13.217 -9.001 3.098 340 HG13 ILE 44 3HG1 ILE 44 -12.253 -7.931 2.086 341 HG21 ILE 44 1HG2 ILE 44 -14.349 -10.466 0.996 342 HG22 ILE 44 2HG2 ILE 44 -15.036 -9.909 2.521 343 HG23 ILE 44 3HG2 ILE 44 -15.899 -9.625 1.010 344 HD11 ILE 44 3HD1 ILE 44 -14.375 -7.262 4.067 345 HD12 ILE 44 1HD1 ILE 44 -12.757 -6.586 3.877 346 HD13 ILE 44 2HD1 ILE 44 -14.033 -6.156 2.736 347 H GLY 45 H GLY 45 -13.134 -10.227 -1.665 348 HA2 GLY 45 2HA GLY 45 -15.155 -9.452 -3.548 349 HA3 GLY 45 3HA GLY 45 -14.202 -10.928 -3.590 350 H LYS 46 H LYS 46 -16.245 -11.900 -4.281 351 HA LYS 46 HA LYS 46 -18.259 -12.201 -2.189 352 HB2 LYS 46 2HB LYS 46 -18.161 -12.696 -5.123 353 HB3 LYS 46 3HB LYS 46 -19.257 -13.686 -4.168 354 HG2 LYS 46 2HG LYS 46 -20.670 -11.980 -3.775 355 HG3 LYS 46 3HG LYS 46 -19.372 -10.791 -3.646 356 HD2 LYS 46 2HD LYS 46 -20.212 -10.087 -5.625 357 HD3 LYS 46 3HD LYS 46 -19.197 -11.382 -6.264 358 HE2 LYS 46 2HE LYS 46 -22.126 -11.606 -5.575 359 HE3 LYS 46 3HE LYS 46 -21.459 -11.455 -7.200 360 HZ1 LYS 46 3HZ LYS 46 -21.289 -13.738 -5.341 361 HZ2 LYS 46 1HZ LYS 46 -20.148 -13.551 -6.576 362 HZ3 LYS 46 2HZ LYS 46 -21.788 -13.718 -6.957 363 H GLY 47 H GLY 47 -15.800 -14.031 -3.889 364 HA2 GLY 47 2HA GLY 47 -16.624 -16.569 -2.796 365 HA3 GLY 47 3HA GLY 47 -15.161 -16.252 -3.716 366 H ALA 48 H ALA 48 -14.326 -14.068 -1.943 367 HA ALA 48 HA ALA 48 -12.607 -15.389 -0.258 368 HB1 ALA 48 1HB ALA 48 -12.526 -13.208 1.034 369 HB2 ALA 48 2HB ALA 48 -12.191 -13.111 -0.695 370 HB3 ALA 48 3HB ALA 48 -13.768 -12.622 -0.074 371 H ASN 49 H ASN 49 -12.857 -16.560 1.521 372 HA ASN 49 HA ASN 49 -15.351 -16.999 2.741 373 HB2 ASN 49 2HB ASN 49 -12.539 -17.787 3.295 374 HB3 ASN 49 3HB ASN 49 -13.680 -17.915 4.631 375 HD21 ASN 49 1HD2 ASN 49 -14.004 -18.473 1.146 376 HD22 ASN 49 2HD2 ASN 49 -14.559 -20.104 1.285 377 H GLU 50 H GLU 50 -15.780 -16.696 5.106 378 HA GLU 50 HA GLU 50 -15.595 -13.920 5.746 379 HB2 GLU 50 2HB GLU 50 -16.535 -16.168 7.532 380 HB3 GLU 50 3HB GLU 50 -16.908 -14.458 7.698 381 HG2 GLU 50 2HG GLU 50 -17.837 -14.889 5.217 382 HG3 GLU 50 3HG GLU 50 -18.073 -16.490 5.915 383 H SER 51 H SER 51 -13.910 -16.814 6.747 384 HA SER 51 HA SER 51 -12.621 -15.631 9.009 385 HB2 SER 51 2HB SER 51 -12.287 -18.191 7.480 386 HB3 SER 51 3HB SER 51 -11.064 -17.704 8.653 387 HG SER 51 HG SER 51 -12.943 -19.059 9.376 388 H GLU 52 H GLU 52 -11.669 -16.300 5.661 389 HA GLU 52 HA GLU 52 -9.005 -15.579 5.762 390 HB2 GLU 52 2HB GLU 52 -10.948 -15.033 3.511 391 HB3 GLU 52 3HB GLU 52 -9.196 -15.062 3.370 392 HG2 GLU 52 2HG GLU 52 -9.131 -17.403 3.856 393 HG3 GLU 52 3HG GLU 52 -10.855 -17.420 4.224 394 H LYS 53 H LYS 53 -11.804 -13.474 5.138 395 HA LYS 53 HA LYS 53 -10.362 -11.082 4.855 396 HB2 LYS 53 2HB LYS 53 -12.548 -10.939 4.093 397 HB3 LYS 53 3HB LYS 53 -13.203 -11.760 5.504 398 HG2 LYS 53 2HG LYS 53 -11.923 -9.125 5.939 399 HG3 LYS 53 3HG LYS 53 -13.480 -9.151 5.108 400 HD2 LYS 53 2HD LYS 53 -14.585 -9.621 6.993 401 HD3 LYS 53 3HD LYS 53 -13.435 -10.882 7.444 402 HE2 LYS 53 2HE LYS 53 -12.912 -9.473 9.117 403 HE3 LYS 53 3HE LYS 53 -11.951 -8.660 7.882 404 HZ1 LYS 53 3HZ LYS 53 -14.619 -7.917 8.913 405 HZ2 LYS 53 1HZ LYS 53 -14.052 -7.330 7.431 406 HZ3 LYS 53 2HZ LYS 53 -13.212 -6.980 8.857 407 H GLU 54 H GLU 54 -11.417 -12.844 7.668 408 HA GLU 54 HA GLU 54 -11.016 -10.682 9.512 409 HB2 GLU 54 2HB GLU 54 -11.269 -13.654 10.010 410 HB3 GLU 54 3HB GLU 54 -11.316 -12.406 11.248 411 HG2 GLU 54 2HG GLU 54 -13.236 -11.903 9.145 412 HG3 GLU 54 3HG GLU 54 -13.472 -13.482 9.891 413 H ALA 55 H ALA 55 -9.282 -13.746 8.934 414 HA ALA 55 HA ALA 55 -7.099 -13.168 10.605 415 HB1 ALA 55 1HB ALA 55 -6.162 -15.120 9.841 416 HB2 ALA 55 2HB ALA 55 -7.862 -15.394 9.458 417 HB3 ALA 55 3HB ALA 55 -6.745 -14.883 8.193 418 H ALA 56 H ALA 56 -7.452 -12.833 7.077 419 HA ALA 56 HA ALA 56 -4.899 -11.812 6.560 420 HB1 ALA 56 1HB ALA 56 -5.645 -11.356 4.422 421 HB2 ALA 56 2HB ALA 56 -6.762 -12.619 4.941 422 HB3 ALA 56 3HB ALA 56 -7.268 -10.930 4.966 423 H ALA 57 H ALA 57 -7.738 -10.307 7.870 424 HA ALA 57 HA ALA 57 -6.952 -7.607 7.360 425 HB1 ALA 57 1HB ALA 57 -8.690 -7.300 9.352 426 HB2 ALA 57 2HB ALA 57 -9.196 -7.655 7.700 427 HB3 ALA 57 3HB ALA 57 -9.101 -8.952 8.891 428 H GLU 58 H GLU 58 -6.701 -9.795 10.134 429 HA GLU 58 HA GLU 58 -5.501 -7.842 11.843 430 HB2 GLU 58 2HB GLU 58 -5.854 -10.825 12.005 431 HB3 GLU 58 3HB GLU 58 -4.911 -9.952 13.204 432 HG2 GLU 58 2HG GLU 58 -7.390 -8.607 12.865 433 HG3 GLU 58 3HG GLU 58 -7.709 -10.326 13.092 434 H THR 59 H THR 59 -4.288 -10.532 9.886 435 HA THR 59 HA THR 59 -1.635 -10.545 10.650 436 HB THR 59 HB THR 59 -2.752 -10.996 7.875 437 HG1 THR 59 HG1 THR 59 -3.329 -12.875 8.650 438 HG21 THR 59 3HG2 THR 59 -0.022 -11.206 8.996 439 HG22 THR 59 1HG2 THR 59 -0.547 -10.901 7.341 440 HG23 THR 59 2HG2 THR 59 -0.559 -12.545 7.981 441 H ALA 60 H ALA 60 -3.309 -8.330 8.503 442 HA ALA 60 HA ALA 60 -0.977 -7.069 7.468 443 HB1 ALA 60 1HB ALA 60 -2.820 -5.185 7.086 444 HB2 ALA 60 2HB ALA 60 -2.723 -6.634 6.084 445 HB3 ALA 60 3HB ALA 60 -3.892 -6.550 7.402 446 H GLN 61 H GLN 61 -3.143 -6.393 10.177 447 HA GLN 61 HA GLN 61 -2.281 -3.877 10.908 448 HB2 GLN 61 2HB GLN 61 -3.168 -6.198 12.619 449 HB3 GLN 61 3HB GLN 61 -2.880 -4.587 13.264 450 HG2 GLN 61 2HG GLN 61 -4.602 -4.437 10.977 451 HG3 GLN 61 3HG GLN 61 -5.237 -5.593 12.146 452 HE21 GLN 61 1HE2 GLN 61 -5.111 -4.758 14.473 453 HE22 GLN 61 2HE2 GLN 61 -5.647 -3.133 14.716 454 H GLU 62 H GLU 62 -0.706 -6.963 11.358 455 HA GLU 62 HA GLU 62 1.169 -6.280 13.307 456 HB2 GLU 62 2HB GLU 62 1.179 -8.271 11.060 457 HB3 GLU 62 3HB GLU 62 2.598 -8.064 12.076 458 HG2 GLU 62 2HG GLU 62 1.110 -8.497 14.055 459 HG3 GLU 62 3HG GLU 62 -0.146 -8.956 12.908 460 H TYR 63 H TYR 63 1.240 -5.839 9.805 461 HA TYR 63 HA TYR 63 3.916 -4.853 9.727 462 HB2 TYR 63 2HB TYR 63 3.035 -5.810 7.724 463 HB3 TYR 63 3HB TYR 63 1.636 -4.742 7.752 464 HD1 TYR 63 HD2 TYR 63 1.868 -2.375 7.125 465 HD2 TYR 63 HD1 TYR 63 5.149 -5.070 6.853 466 HE1 TYR 63 HE2 TYR 63 3.057 -0.773 5.687 467 HE2 TYR 63 HE1 TYR 63 6.348 -3.474 5.415 468 HH TYR 63 HH TYR 63 5.798 -1.592 3.895 469 H LEU 64 H LEU 64 0.722 -3.361 9.884 470 HA LEU 64 HA LEU 64 1.385 -0.713 9.427 471 HB2 LEU 64 2HB LEU 64 -0.720 -2.063 11.054 472 HB3 LEU 64 3HB LEU 64 -0.536 -0.314 11.165 473 HG LEU 64 HG LEU 64 -2.298 -1.189 9.562 474 HD11 LEU 64 1HD1 LEU 64 -0.820 0.384 7.733 475 HD12 LEU 64 2HD1 LEU 64 -0.464 0.972 9.356 476 HD13 LEU 64 3HD1 LEU 64 -2.134 0.882 8.798 477 HD21 LEU 64 3HD2 LEU 64 0.183 -1.937 8.021 478 HD22 LEU 64 1HD2 LEU 64 -1.429 -1.812 7.317 479 HD23 LEU 64 2HD2 LEU 64 -1.103 -3.015 8.565 480 H ARG 65 H ARG 65 1.895 -2.678 12.269 481 HA ARG 65 HA ARG 65 2.303 -0.788 14.230 482 HB2 ARG 65 2HB ARG 65 3.840 -3.349 13.764 483 HB3 ARG 65 3HB ARG 65 3.871 -2.420 15.257 484 HG2 ARG 65 2HG ARG 65 1.266 -3.371 14.156 485 HG3 ARG 65 3HG ARG 65 2.312 -4.481 15.044 486 HD2 ARG 65 2HD ARG 65 2.381 -2.591 16.819 487 HD3 ARG 65 3HD ARG 65 0.936 -2.002 15.999 488 HE ARG 65 HE ARG 65 -0.246 -3.702 16.960 489 HH11 ARG 65 1HH1 ARG 65 3.147 -4.469 17.107 490 HH12 ARG 65 2HH1 ARG 65 2.918 -5.884 18.081 491 HH21 ARG 65 1HH2 ARG 65 -0.560 -5.562 18.242 492 HH22 ARG 65 2HH2 ARG 65 0.809 -6.505 18.726 493 H SER 66 H SER 66 4.357 -1.632 11.537 494 HA SER 66 HA SER 66 6.776 -0.536 12.390 495 HB2 SER 66 2HB SER 66 7.490 -0.726 10.184 496 HB3 SER 66 3HB SER 66 6.163 -1.887 10.230 497 HG SER 66 HG SER 66 5.236 -0.746 8.746 498 H HIS 67 H HIS 67 3.925 0.985 11.021 499 HA HIS 67 HA HIS 67 5.220 3.610 11.369 500 HB2 HIS 67 2HB HIS 67 3.186 2.665 9.360 501 HB3 HIS 67 3HB HIS 67 3.398 4.377 9.716 502 HD1 HIS 67 HD1 HIS 67 6.110 5.108 9.492 503 HD2 HIS 67 HD2 HIS 67 4.716 1.873 7.289 504 HE1 HIS 67 HE1 HIS 67 7.771 4.796 7.630 505 HA PRO 68 HA PRO 68 1.981 3.528 14.585 506 HB2 PRO 68 2HB PRO 68 3.271 5.273 16.216 507 HB3 PRO 68 3HB PRO 68 3.630 3.543 16.184 508 HG2 PRO 68 2HG PRO 68 5.078 5.802 14.857 509 HG3 PRO 68 3HG PRO 68 5.741 4.403 15.723 510 HD2 PRO 68 2HD PRO 68 5.634 4.528 13.020 511 HD3 PRO 68 3HD PRO 68 5.479 3.001 13.912 512 H GLY 69 H GLY 69 1.496 5.837 15.980 513 HA2 GLY 69 2HA GLY 69 1.299 8.274 15.390 514 HA3 GLY 69 3HA GLY 69 0.721 7.710 13.829 515 H SER 70 H SER 70 -0.769 9.457 15.360 516 HA SER 70 HA SER 70 -2.883 7.795 16.540 517 HB2 SER 70 2HB SER 70 -2.662 10.802 16.700 518 HB3 SER 70 3HB SER 70 -3.632 9.732 17.712 519 HG SER 70 HG SER 70 -1.336 8.812 18.136 520 H ARG 71 H ARG 71 -2.112 9.077 13.640 521 HA ARG 71 HA ARG 71 -4.802 9.972 12.942 522 HB2 ARG 71 2HB ARG 71 -2.108 10.188 11.689 523 HB3 ARG 71 3HB ARG 71 -3.510 10.211 10.628 524 HG2 ARG 71 2HG ARG 71 -4.228 11.992 12.574 525 HG3 ARG 71 3HG ARG 71 -2.489 12.258 12.434 526 HD2 ARG 71 2HD ARG 71 -4.043 12.034 9.919 527 HD3 ARG 71 3HD ARG 71 -4.267 13.496 10.879 528 HE ARG 71 HE ARG 71 -1.943 12.758 9.362 529 HH11 ARG 71 1HH1 ARG 71 -3.123 14.623 12.054 530 HH12 ARG 71 2HH1 ARG 71 -1.814 15.757 12.010 531 HH21 ARG 71 1HH2 ARG 71 -0.215 14.245 9.294 532 HH22 ARG 71 2HH2 ARG 71 -0.161 15.542 10.439 533 H ASP 72 H ASP 72 -3.955 7.119 13.524 534 HA ASP 72 HA ASP 72 -4.660 5.895 10.945 535 HB2 ASP 72 2HB ASP 72 -3.210 4.876 13.371 536 HB3 ASP 72 3HB ASP 72 -3.952 3.751 12.237 537 H LEU 73 H LEU 73 -5.832 6.560 14.090 538 HA LEU 73 HA LEU 73 -7.881 4.497 13.994 539 HB2 LEU 73 2HB LEU 73 -7.253 6.644 16.010 540 HB3 LEU 73 3HB LEU 73 -8.594 5.511 16.167 541 HG LEU 73 HG LEU 73 -6.056 4.158 15.751 542 HD11 LEU 73 1HD1 LEU 73 -4.752 5.411 17.048 543 HD12 LEU 73 2HD1 LEU 73 -5.743 4.866 18.401 544 HD13 LEU 73 3HD1 LEU 73 -6.108 6.394 17.600 545 HD21 LEU 73 3HD2 LEU 73 -8.061 3.029 16.501 546 HD22 LEU 73 1HD2 LEU 73 -8.156 4.079 17.915 547 HD23 LEU 73 2HD2 LEU 73 -6.821 2.938 17.752 548 H ASP 74 H ASP 74 -7.724 8.051 14.110 549 HA ASP 74 HA ASP 74 -10.435 8.593 13.888 550 HB2 ASP 74 2HB ASP 74 -8.096 10.156 12.772 551 HB3 ASP 74 3HB ASP 74 -9.737 10.778 12.924 552 H THR 75 H THR 75 -8.186 7.493 11.488 553 HA THR 75 HA THR 75 -10.205 7.867 9.381 554 HB THR 75 HB THR 75 -7.310 7.139 8.945 555 HG1 THR 75 HG1 THR 75 -8.547 9.679 9.217 556 HG21 THR 75 3HG2 THR 75 -9.212 6.861 7.177 557 HG22 THR 75 1HG2 THR 75 -7.676 7.586 6.705 558 HG23 THR 75 2HG2 THR 75 -9.073 8.612 7.030 559 HA PRO 76 HA PRO 76 -10.594 3.393 10.186 560 HB2 PRO 76 2HB PRO 76 -13.136 3.240 9.246 561 HB3 PRO 76 3HB PRO 76 -12.750 3.759 10.891 562 HG2 PRO 76 2HG PRO 76 -13.395 5.417 8.483 563 HG3 PRO 76 3HG PRO 76 -13.956 5.606 10.155 564 HD2 PRO 76 2HD PRO 76 -11.958 7.105 9.110 565 HD3 PRO 76 3HD PRO 76 -12.009 6.644 10.823 566 H ILE 77 H ILE 77 -10.917 1.594 8.746 567 HA ILE 77 HA ILE 77 -9.853 2.064 6.136 568 HB ILE 77 HB ILE 77 -10.797 -0.400 7.571 569 HG12 ILE 77 2HG1 ILE 77 -8.146 -0.415 6.391 570 HG13 ILE 77 3HG1 ILE 77 -8.371 0.980 7.440 571 HG21 ILE 77 1HG2 ILE 77 -10.208 -0.060 4.666 572 HG22 ILE 77 2HG2 ILE 77 -9.780 -1.567 5.473 573 HG23 ILE 77 3HG2 ILE 77 -11.457 -1.023 5.454 574 HD11 ILE 77 3HD1 ILE 77 -9.201 -1.686 8.446 575 HD12 ILE 77 1HD1 ILE 77 -7.480 -1.310 8.364 576 HD13 ILE 77 2HD1 ILE 77 -8.561 -0.293 9.318 577 H ILE 78 H ILE 78 -10.837 1.990 4.169 578 HA ILE 78 HA ILE 78 -13.718 2.311 4.148 579 HB ILE 78 HB ILE 78 -11.597 2.629 2.040 580 HG12 ILE 78 2HG1 ILE 78 -13.318 4.863 2.270 581 HG13 ILE 78 3HG1 ILE 78 -12.933 4.353 3.910 582 HG21 ILE 78 1HG2 ILE 78 -13.554 3.460 0.610 583 HG22 ILE 78 2HG2 ILE 78 -13.333 1.718 0.771 584 HG23 ILE 78 3HG2 ILE 78 -14.576 2.540 1.713 585 HD11 ILE 78 3HD1 ILE 78 -11.418 6.081 2.857 586 HD12 ILE 78 1HD1 ILE 78 -10.634 4.676 3.580 587 HD13 ILE 78 2HD1 ILE 78 -10.818 4.780 1.828 588 H VAL 79 H VAL 79 -14.786 0.419 4.320 589 HA VAL 79 HA VAL 79 -13.934 -2.059 3.315 590 HB VAL 79 HB VAL 79 -16.744 -1.135 3.932 591 HG11 VAL 79 1HG1 VAL 79 -15.647 -3.698 2.993 592 HG12 VAL 79 2HG1 VAL 79 -16.749 -3.804 4.367 593 HG13 VAL 79 3HG1 VAL 79 -17.280 -3.045 2.865 594 HG21 VAL 79 3HG2 VAL 79 -15.737 -0.981 5.974 595 HG22 VAL 79 1HG2 VAL 79 -16.137 -2.699 5.984 596 HG23 VAL 79 2HG2 VAL 79 -14.502 -2.176 5.580 597 H VAL 80 H VAL 80 -14.501 -3.231 1.489 598 HA VAL 80 HA VAL 80 -15.923 -1.778 -0.635 599 HB VAL 80 HB VAL 80 -13.405 -3.375 -1.109 600 HG11 VAL 80 1HG1 VAL 80 -14.707 -1.450 -3.004 601 HG12 VAL 80 2HG1 VAL 80 -13.558 -2.744 -3.349 602 HG13 VAL 80 3HG1 VAL 80 -15.222 -3.134 -2.914 603 HG21 VAL 80 3HG2 VAL 80 -12.460 -1.075 -1.675 604 HG22 VAL 80 1HG2 VAL 80 -13.835 -0.419 -0.787 605 HG23 VAL 80 2HG2 VAL 80 -12.669 -1.457 0.034 606 H LYS 81 H LYS 81 -17.298 -2.983 -1.832 607 HA LYS 81 HA LYS 81 -17.565 -5.808 -1.092 608 HB2 LYS 81 2HB LYS 81 -19.444 -3.694 -1.994 609 HB3 LYS 81 3HB LYS 81 -19.790 -5.336 -2.521 610 HG2 LYS 81 2HG LYS 81 -19.310 -5.741 0.111 611 HG3 LYS 81 3HG LYS 81 -20.005 -4.119 0.140 612 HD2 LYS 81 2HD LYS 81 -21.349 -6.214 -1.495 613 HD3 LYS 81 3HD LYS 81 -21.528 -6.272 0.260 614 HE2 LYS 81 2HE LYS 81 -21.994 -3.647 -0.214 615 HE3 LYS 81 3HE LYS 81 -22.617 -4.364 -1.699 616 HZ1 LYS 81 3HZ LYS 81 -23.413 -5.652 0.784 617 HZ2 LYS 81 1HZ LYS 81 -24.312 -5.352 -0.618 618 HZ3 LYS 81 2HZ LYS 81 -24.060 -4.114 0.507 619 H GLN 82 H GLN 82 -18.295 -7.301 -2.846 620 HA GLN 82 HA GLN 82 -16.472 -7.120 -5.055 621 HB2 GLN 82 2HB GLN 82 -17.103 -9.246 -3.832 622 HB3 GLN 82 3HB GLN 82 -18.653 -9.167 -4.659 623 HG2 GLN 82 2HG GLN 82 -16.948 -10.678 -5.696 624 HG3 GLN 82 3HG GLN 82 -17.650 -9.472 -6.773 625 HE21 GLN 82 1HE2 GLN 82 -16.388 -7.722 -7.445 626 HE22 GLN 82 2HE2 GLN 82 -14.664 -7.752 -7.341 627 H GLY 83 H GLY 83 -16.887 -5.922 -6.788 628 HA2 GLY 83 2HA GLY 83 -18.300 -5.937 -8.840 629 HA3 GLY 83 3HA GLY 83 -19.678 -5.807 -7.756 630 H PHE 84 H PHE 84 -16.963 -4.033 -6.744 631 HA PHE 84 HA PHE 84 -17.842 -1.601 -8.111 632 HB2 PHE 84 2HB PHE 84 -17.410 -1.602 -5.129 633 HB3 PHE 84 3HB PHE 84 -18.138 -0.346 -6.125 634 HD1 PHE 84 HD1 PHE 84 -20.411 -0.644 -7.025 635 HD2 PHE 84 HD2 PHE 84 -18.685 -3.432 -4.312 636 HE1 PHE 84 HE1 PHE 84 -22.644 -1.564 -6.556 637 HE2 PHE 84 HE2 PHE 84 -20.915 -4.357 -3.839 638 HZ PHE 84 HZ PHE 84 -22.898 -3.424 -4.962 639 H GLU 85 H GLU 85 -16.061 -0.915 -9.096 640 HA GLU 85 HA GLU 85 -13.527 -0.965 -7.592 641 HB2 GLU 85 2HB GLU 85 -13.365 -2.519 -9.419 642 HB3 GLU 85 3HB GLU 85 -14.009 -1.336 -10.549 643 HG2 GLU 85 2HG GLU 85 -11.670 -0.302 -9.241 644 HG3 GLU 85 3HG GLU 85 -11.330 -1.867 -9.977 645 HA PRO 86 HA PRO 86 -14.433 3.465 -8.255 646 HB2 PRO 86 2HB PRO 86 -13.094 4.279 -6.038 647 HB3 PRO 86 3HB PRO 86 -14.763 3.697 -5.993 648 HG2 PRO 86 2HG PRO 86 -12.230 2.239 -5.343 649 HG3 PRO 86 3HG PRO 86 -13.780 2.228 -4.481 650 HD2 PRO 86 2HD PRO 86 -13.031 0.237 -6.156 651 HD3 PRO 86 3HD PRO 86 -14.726 0.719 -5.944 652 HA PRO 87 HA PRO 87 -10.586 4.356 -10.242 653 HB2 PRO 87 2HB PRO 87 -10.935 7.025 -10.593 654 HB3 PRO 87 3HB PRO 87 -11.782 5.811 -11.558 655 HG2 PRO 87 2HG PRO 87 -12.752 7.362 -9.189 656 HG3 PRO 87 3HG PRO 87 -13.596 6.987 -10.702 657 HD2 PRO 87 2HD PRO 87 -14.032 5.611 -8.411 658 HD3 PRO 87 3HD PRO 87 -14.145 4.857 -10.015 659 H THR 88 H THR 88 -11.557 5.701 -7.232 660 HA THR 88 HA THR 88 -9.233 7.296 -6.755 661 HB THR 88 HB THR 88 -10.074 7.700 -4.612 662 HG1 THR 88 HG1 THR 88 -11.182 6.237 -3.442 663 HG21 THR 88 3HG2 THR 88 -11.603 8.443 -6.445 664 HG22 THR 88 1HG2 THR 88 -12.406 8.194 -4.896 665 HG23 THR 88 2HG2 THR 88 -12.557 6.985 -6.171 666 H PHE 89 H PHE 89 -10.290 4.085 -5.647 667 HA PHE 89 HA PHE 89 -8.004 3.525 -4.103 668 HB2 PHE 89 2HB PHE 89 -9.653 2.043 -3.564 669 HB3 PHE 89 3HB PHE 89 -10.267 1.965 -5.212 670 HD1 PHE 89 HD2 PHE 89 -7.849 0.601 -2.834 671 HD2 PHE 89 HD1 PHE 89 -9.383 0.381 -6.798 672 HE1 PHE 89 HE2 PHE 89 -6.727 -1.567 -3.144 673 HE2 PHE 89 HE1 PHE 89 -8.264 -1.788 -7.114 674 HZ PHE 89 HZ PHE 89 -6.933 -2.764 -5.286 675 H THR 90 H THR 90 -8.838 2.672 -7.447 676 HA THR 90 HA THR 90 -6.670 1.115 -8.117 677 HB THR 90 HB THR 90 -7.553 3.128 -10.129 678 HG1 THR 90 HG1 THR 90 -9.592 2.531 -10.057 679 HG21 THR 90 3HG2 THR 90 -7.366 0.120 -10.269 680 HG22 THR 90 1HG2 THR 90 -6.024 1.204 -10.633 681 HG23 THR 90 2HG2 THR 90 -7.488 1.251 -11.616 682 H GLY 91 H GLY 91 -6.855 4.618 -7.852 683 HA2 GLY 91 2HA GLY 91 -4.493 5.344 -9.125 684 HA3 GLY 91 3HA GLY 91 -5.211 6.218 -7.780 685 H TRP 92 H TRP 92 -4.923 3.663 -6.146 686 HA TRP 92 HA TRP 92 -2.403 4.343 -4.988 687 HB2 TRP 92 2HB TRP 92 -4.254 2.013 -4.433 688 HB3 TRP 92 3HB TRP 92 -2.869 2.464 -3.443 689 HD1 TRP 92 HD1 TRP 92 -6.406 2.735 -3.275 690 HE1 TRP 92 HE1 TRP 92 -7.186 4.781 -1.922 691 HE3 TRP 92 HE3 TRP 92 -2.039 5.393 -3.232 692 HZ2 TRP 92 HZ2 TRP 92 -6.094 7.201 -0.963 693 HZ3 TRP 92 HZ3 TRP 92 -1.991 7.564 -2.075 694 HH2 TRP 92 HH2 TRP 92 -3.978 8.448 -0.965 695 H PHE 93 H PHE 93 -3.435 2.107 -7.390 696 HA PHE 93 HA PHE 93 -1.223 0.297 -7.118 697 HB2 PHE 93 2HB PHE 93 -3.465 0.651 -9.065 698 HB3 PHE 93 3HB PHE 93 -2.077 -0.325 -9.537 699 HD1 PHE 93 HD2 PHE 93 -3.889 0.030 -6.299 700 HD2 PHE 93 HD1 PHE 93 -2.687 -2.539 -9.472 701 HE1 PHE 93 HE2 PHE 93 -4.839 -1.895 -5.096 702 HE2 PHE 93 HE1 PHE 93 -3.636 -4.468 -8.275 703 HZ PHE 93 HZ PHE 93 -4.712 -4.147 -6.083 704 H MET 94 H MET 94 0.133 -0.133 -9.177 705 HA MET 94 HA MET 94 1.582 2.296 -9.728 706 HB2 MET 94 2HB MET 94 2.187 -0.296 -11.092 707 HB3 MET 94 3HB MET 94 3.292 0.945 -10.516 708 HG2 MET 94 2HG MET 94 2.243 0.147 -8.178 709 HG3 MET 94 3HG MET 94 2.107 -1.348 -9.100 710 HE1 MET 94 3HE MET 94 4.616 1.622 -8.603 711 HE2 MET 94 1HE MET 94 4.419 0.898 -7.006 712 HE3 MET 94 2HE MET 94 5.970 0.788 -7.839 713 H ALA 95 H ALA 95 -0.936 0.561 -11.212 714 HA ALA 95 HA ALA 95 -0.418 1.863 -13.802 715 HB1 ALA 95 1HB ALA 95 -1.435 0.127 -14.888 716 HB2 ALA 95 2HB ALA 95 -0.774 -0.729 -13.494 717 HB3 ALA 95 3HB ALA 95 -2.476 -0.266 -13.520 718 H TRP 96 H TRP 96 -1.441 3.757 -13.902 719 HA TRP 96 HA TRP 96 -3.582 4.610 -12.377 720 HB2 TRP 96 2HB TRP 96 -2.434 5.468 -14.997 721 HB3 TRP 96 3HB TRP 96 -3.977 6.152 -14.494 722 HD1 TRP 96 HD1 TRP 96 -0.492 6.992 -14.372 723 HE1 TRP 96 HE1 TRP 96 0.053 8.608 -12.445 724 HE3 TRP 96 HE3 TRP 96 -4.766 6.444 -11.622 725 HZ2 TRP 96 HZ2 TRP 96 -1.168 9.528 -10.072 726 HZ3 TRP 96 HZ3 TRP 96 -4.999 7.728 -9.535 727 HH2 TRP 96 HH2 TRP 96 -3.236 9.237 -8.778 728 H ASP 97 H ASP 97 -5.805 5.115 -13.070 729 HA ASP 97 HA ASP 97 -6.896 2.962 -14.761 730 HB2 ASP 97 2HB ASP 97 -7.418 3.182 -12.169 731 HB3 ASP 97 3HB ASP 97 -8.599 4.355 -12.744 732 HA PRO 98 HA PRO 98 -8.382 6.106 -17.471 733 HB2 PRO 98 2HB PRO 98 -10.241 4.632 -18.792 734 HB3 PRO 98 3HB PRO 98 -8.504 4.453 -19.063 735 HG2 PRO 98 2HG PRO 98 -10.340 2.789 -17.383 736 HG3 PRO 98 3HG PRO 98 -9.050 2.269 -18.484 737 HD2 PRO 98 2HD PRO 98 -8.718 2.379 -15.799 738 HD3 PRO 98 3HD PRO 98 -7.391 2.685 -16.939 739 H LEU 99 H LEU 99 -10.217 4.637 -15.019 740 HA LEU 99 HA LEU 99 -12.647 6.130 -15.593 741 HB2 LEU 99 2HB LEU 99 -11.872 4.151 -13.471 742 HB3 LEU 99 3HB LEU 99 -13.377 5.064 -13.391 743 HG LEU 99 HG LEU 99 -13.636 4.024 -15.845 744 HD11 LEU 99 1HD1 LEU 99 -11.362 2.838 -15.328 745 HD12 LEU 99 2HD1 LEU 99 -12.656 1.974 -16.158 746 HD13 LEU 99 3HD1 LEU 99 -12.388 1.716 -14.434 747 HD21 LEU 99 3HD2 LEU 99 -14.294 2.195 -13.599 748 HD22 LEU 99 1HD2 LEU 99 -15.295 2.746 -14.942 749 HD23 LEU 99 2HD2 LEU 99 -14.981 3.820 -13.578 750 H CYS 100 H CYS 100 -9.853 7.154 -14.590 751 HA CYS 100 HA CYS 100 -10.356 8.365 -12.073 752 HB2 CYS 100 2HB CYS 100 -8.270 8.590 -14.181 753 HB3 CYS 100 3HB CYS 100 -8.416 9.930 -13.050 754 HG CYS 100 HG CYS 100 -8.191 8.108 -10.801 755 H TRP 101 H TRP 101 -11.435 9.065 -15.206 756 HA TRP 101 HA TRP 101 -11.840 11.903 -14.685 757 HB2 TRP 101 2HB TRP 101 -12.030 10.130 -17.067 758 HB3 TRP 101 3HB TRP 101 -13.068 11.553 -17.037 759 HD1 TRP 101 HD1 TRP 101 -11.984 13.813 -17.681 760 HE1 TRP 101 HE1 TRP 101 -9.596 14.576 -18.264 761 HE3 TRP 101 HE3 TRP 101 -9.441 9.564 -16.408 762 HZ2 TRP 101 HZ2 TRP 101 -6.980 13.516 -18.194 763 HZ3 TRP 101 HZ3 TRP 101 -6.998 9.521 -16.697 764 HH2 TRP 101 HH2 TRP 101 -5.795 11.457 -17.572 765 H SER 102 H SER 102 -13.283 9.429 -13.436 766 HA SER 102 HA SER 102 -16.007 9.646 -14.178 767 HB2 SER 102 2HB SER 102 -16.463 8.175 -12.399 768 HB3 SER 102 3HB SER 102 -14.825 7.744 -12.892 769 HG SER 102 HG SER 102 -15.637 8.482 -10.502 770 H ASP 103 H ASP 103 -13.995 11.712 -12.440 771 HA ASP 103 HA ASP 103 -16.129 12.847 -10.814 772 HB2 ASP 103 2HB ASP 103 -13.174 13.397 -11.040 773 HB3 ASP 103 3HB ASP 103 -14.251 14.450 -10.125 774 H ARG 104 H ARG 104 -14.223 13.589 -13.665 775 HA ARG 104 HA ARG 104 -14.863 16.284 -13.977 776 HB2 ARG 104 2HB ARG 104 -14.009 14.094 -15.798 777 HB3 ARG 104 3HB ARG 104 -14.674 15.544 -16.538 778 HG2 ARG 104 2HG ARG 104 -12.392 15.946 -16.496 779 HG3 ARG 104 3HG ARG 104 -12.987 16.816 -15.081 780 HD2 ARG 104 2HD ARG 104 -12.478 14.389 -14.002 781 HD3 ARG 104 3HD ARG 104 -11.247 14.448 -15.263 782 HE ARG 104 HE ARG 104 -11.025 16.855 -14.021 783 HH11 ARG 104 1HH1 ARG 104 -10.980 13.548 -12.936 784 HH12 ARG 104 2HH1 ARG 104 -9.921 13.864 -11.601 785 HH21 ARG 104 1HH2 ARG 104 -9.631 17.284 -12.267 786 HH22 ARG 104 2HH2 ARG 104 -9.155 15.989 -11.221 787 H LYS 105 H LYS 105 -16.764 13.434 -14.510 788 HA LYS 105 HA LYS 105 -18.788 14.845 -16.042 789 HB2 LYS 105 2HB LYS 105 -18.291 12.021 -15.245 790 HB3 LYS 105 3HB LYS 105 -19.958 12.493 -15.553 791 HG2 LYS 105 2HG LYS 105 -17.676 12.842 -17.487 792 HG3 LYS 105 3HG LYS 105 -18.858 11.531 -17.527 793 HD2 LYS 105 2HD LYS 105 -20.630 13.365 -17.648 794 HD3 LYS 105 3HD LYS 105 -19.298 14.466 -18.008 795 HE2 LYS 105 2HE LYS 105 -18.794 12.443 -19.746 796 HE3 LYS 105 3HE LYS 105 -20.555 12.397 -19.678 797 HZ1 LYS 105 3HZ LYS 105 -19.454 13.905 -21.399 798 HZ2 LYS 105 1HZ LYS 105 -19.117 14.940 -20.104 799 HZ3 LYS 105 2HZ LYS 105 -20.719 14.554 -20.482 800 H SER 106 H SER 106 -18.087 14.108 -12.770 801 HA SER 106 HA SER 106 -20.821 14.353 -11.854 802 HB2 SER 106 2HB SER 106 -20.049 13.704 -9.774 803 HB3 SER 106 3HB SER 106 -18.824 12.972 -10.810 804 HG SER 106 HG SER 106 -17.402 14.200 -9.892 805 H TYR 107 H TYR 107 -20.684 15.849 -9.609 806 HA TYR 107 HA TYR 107 -19.427 18.378 -9.988 807 HB2 TYR 107 2HB TYR 107 -21.279 18.466 -11.687 808 HB3 TYR 107 3HB TYR 107 -22.427 18.339 -10.359 809 HD1 TYR 107 HD1 TYR 107 -22.440 20.164 -8.600 810 HD2 TYR 107 HD2 TYR 107 -20.354 20.543 -12.288 811 HE1 TYR 107 HE1 TYR 107 -22.377 22.605 -8.306 812 HE2 TYR 107 HE2 TYR 107 -20.284 22.985 -12.004 813 HH TYR 107 HH TYR 107 -20.885 24.711 -10.749 Start of MODEL 7 1 HA PRO 1 HA PRO 1 1.266 0.190 -1.862 2 HB2 PRO 1 2HB PRO 1 3.449 0.251 -3.475 3 HB3 PRO 1 3HB PRO 1 2.978 1.608 -2.443 4 HG2 PRO 1 2HG PRO 1 5.055 -0.497 -1.974 5 HG3 PRO 1 3HG PRO 1 5.145 1.249 -1.678 6 HD2 PRO 1 2HD PRO 1 4.672 -0.541 0.298 7 HD3 PRO 1 3HD PRO 1 3.990 1.098 0.312 8 H ARG 2 H ARG 2 1.937 -2.573 -0.715 9 HA ARG 2 HA ARG 2 1.955 -4.003 -3.292 10 HB2 ARG 2 2HB ARG 2 3.062 -4.939 -0.638 11 HB3 ARG 2 3HB ARG 2 2.988 -5.909 -2.103 12 HG2 ARG 2 2HG ARG 2 5.052 -5.185 -2.501 13 HG3 ARG 2 3HG ARG 2 4.303 -3.647 -2.935 14 HD2 ARG 2 2HD ARG 2 5.820 -2.931 -1.380 15 HD3 ARG 2 3HD ARG 2 4.430 -3.235 -0.339 16 HE ARG 2 HE ARG 2 6.058 -5.548 -0.562 17 HH11 ARG 2 1HH1 ARG 2 5.888 -2.426 0.969 18 HH12 ARG 2 2HH1 ARG 2 6.857 -2.894 2.326 19 HH21 ARG 2 1HH2 ARG 2 7.336 -6.176 1.220 20 HH22 ARG 2 2HH2 ARG 2 7.681 -5.027 2.468 21 H LEU 3 H LEU 3 0.994 -6.299 -2.981 22 HA LEU 3 HA LEU 3 -1.564 -5.967 -1.573 23 HB2 LEU 3 2HB LEU 3 -0.727 -7.365 -4.053 24 HB3 LEU 3 3HB LEU 3 -2.038 -8.079 -3.118 25 HG LEU 3 HG LEU 3 -2.009 -5.297 -4.287 26 HD11 LEU 3 1HD1 LEU 3 -2.301 -7.492 -5.731 27 HD12 LEU 3 2HD1 LEU 3 -3.280 -6.054 -6.018 28 HD13 LEU 3 3HD1 LEU 3 -3.942 -7.401 -5.092 29 HD21 LEU 3 3HD2 LEU 3 -4.589 -6.220 -3.506 30 HD22 LEU 3 1HD2 LEU 3 -3.698 -4.809 -2.937 31 HD23 LEU 3 2HD2 LEU 3 -3.493 -6.364 -2.131 32 H PHE 4 H PHE 4 -2.545 -8.244 -1.016 33 HA PHE 4 HA PHE 4 -0.594 -10.151 -0.051 34 HB2 PHE 4 2HB PHE 4 -2.326 -8.565 1.853 35 HB3 PHE 4 3HB PHE 4 -1.460 -10.032 2.297 36 HD1 PHE 4 HD2 PHE 4 0.998 -10.048 2.359 37 HD2 PHE 4 HD1 PHE 4 -1.205 -6.480 1.630 38 HE1 PHE 4 HE2 PHE 4 2.998 -8.712 2.876 39 HE2 PHE 4 HE1 PHE 4 0.792 -5.138 2.145 40 HZ PHE 4 HZ PHE 4 2.897 -6.254 2.770 41 H GLU 5 H GLU 5 -1.503 -11.862 -1.035 42 HA GLU 5 HA GLU 5 -4.386 -12.244 -0.955 43 HB2 GLU 5 2HB GLU 5 -2.129 -13.373 -2.504 44 HB3 GLU 5 3HB GLU 5 -3.474 -14.462 -2.193 45 HG2 GLU 5 2HG GLU 5 -4.907 -13.301 -3.515 46 HG3 GLU 5 3HG GLU 5 -4.119 -11.756 -3.205 47 H CYS 6 H CYS 6 -5.225 -13.123 0.814 48 HA CYS 6 HA CYS 6 -3.843 -15.430 2.013 49 HB2 CYS 6 2HB CYS 6 -5.508 -13.556 3.666 50 HB3 CYS 6 3HB CYS 6 -4.266 -14.686 4.190 51 HG CYS 6 HG CYS 6 -2.787 -12.594 4.641 52 H SER 7 H SER 7 -5.026 -17.161 1.545 53 HA SER 7 HA SER 7 -7.903 -17.074 2.099 54 HB2 SER 7 2HB SER 7 -7.175 -16.880 -0.445 55 HB3 SER 7 3HB SER 7 -6.996 -18.627 -0.287 56 HG SER 7 HG SER 7 -9.074 -18.734 -0.484 57 H ASN 8 H ASN 8 -8.851 -19.157 2.509 58 HA ASN 8 HA ASN 8 -6.936 -20.985 3.731 59 HB2 ASN 8 2HB ASN 8 -9.022 -22.047 4.685 60 HB3 ASN 8 3HB ASN 8 -8.743 -20.377 5.170 61 HD21 ASN 8 1HD2 ASN 8 -10.610 -19.383 5.343 62 HD22 ASN 8 2HD2 ASN 8 -11.926 -19.484 4.228 63 H LYS 9 H LYS 9 -6.668 -23.099 3.152 64 HA LYS 9 HA LYS 9 -7.345 -23.815 0.471 65 HB2 LYS 9 2HB LYS 9 -6.060 -25.393 2.706 66 HB3 LYS 9 3HB LYS 9 -6.236 -25.984 1.059 67 HG2 LYS 9 2HG LYS 9 -4.718 -24.426 0.211 68 HG3 LYS 9 3HG LYS 9 -4.819 -23.411 1.652 69 HD2 LYS 9 2HD LYS 9 -3.616 -25.014 2.952 70 HD3 LYS 9 3HD LYS 9 -3.699 -26.210 1.656 71 HE2 LYS 9 2HE LYS 9 -2.502 -24.158 0.367 72 HE3 LYS 9 3HE LYS 9 -1.899 -23.903 2.003 73 HZ1 LYS 9 3HZ LYS 9 -1.555 -26.280 0.277 74 HZ2 LYS 9 1HZ LYS 9 -1.300 -26.348 1.949 75 HZ3 LYS 9 2HZ LYS 9 -0.360 -25.318 0.992 76 H THR 10 H THR 10 -8.135 -25.328 3.606 77 HA THR 10 HA THR 10 -10.722 -26.139 2.476 78 HB THR 10 HB THR 10 -10.576 -28.355 3.367 79 HG1 THR 10 HG1 THR 10 -9.288 -28.750 4.989 80 HG21 THR 10 3HG2 THR 10 -8.871 -29.314 2.006 81 HG22 THR 10 1HG2 THR 10 -7.911 -27.836 2.057 82 HG23 THR 10 2HG2 THR 10 -9.437 -27.866 1.173 83 H GLY 11 H GLY 11 -8.821 -26.214 5.502 84 HA2 GLY 11 2HA GLY 11 -11.139 -25.004 6.861 85 HA3 GLY 11 3HA GLY 11 -10.361 -26.425 7.542 86 H ARG 12 H ARG 12 -7.988 -24.661 6.091 87 HA ARG 12 HA ARG 12 -7.427 -23.138 8.550 88 HB2 ARG 12 2HB ARG 12 -5.440 -24.624 6.821 89 HB3 ARG 12 3HB ARG 12 -5.034 -23.625 8.210 90 HG2 ARG 12 2HG ARG 12 -6.921 -25.913 8.535 91 HG3 ARG 12 3HG ARG 12 -5.182 -26.204 8.458 92 HD2 ARG 12 2HD ARG 12 -5.809 -24.012 10.233 93 HD3 ARG 12 3HD ARG 12 -6.670 -25.479 10.698 94 HE ARG 12 HE ARG 12 -4.097 -26.291 10.260 95 HH11 ARG 12 1HH1 ARG 12 -5.632 -23.915 12.289 96 HH12 ARG 12 2HH1 ARG 12 -4.437 -24.020 13.540 97 HH21 ARG 12 1HH2 ARG 12 -2.517 -26.439 11.900 98 HH22 ARG 12 2HH2 ARG 12 -2.666 -25.455 13.317 99 H PHE 13 H PHE 13 -6.747 -21.072 8.313 100 HA PHE 13 HA PHE 13 -6.919 -19.921 5.661 101 HB2 PHE 13 2HB PHE 13 -7.998 -18.531 7.156 102 HB3 PHE 13 3HB PHE 13 -6.847 -18.854 8.449 103 HD1 PHE 13 HD1 PHE 13 -4.741 -17.649 8.572 104 HD2 PHE 13 HD2 PHE 13 -7.593 -16.815 5.525 105 HE1 PHE 13 HE1 PHE 13 -3.580 -15.539 8.067 106 HE2 PHE 13 HE2 PHE 13 -6.436 -14.704 5.015 107 HZ PHE 13 HZ PHE 13 -4.426 -14.064 6.286 108 H LEU 14 H LEU 14 -5.281 -18.996 4.515 109 HA LEU 14 HA LEU 14 -2.570 -19.260 5.639 110 HB2 LEU 14 2HB LEU 14 -3.693 -20.010 3.000 111 HB3 LEU 14 3HB LEU 14 -2.060 -19.348 3.025 112 HG LEU 14 HG LEU 14 -2.004 -21.773 3.024 113 HD11 LEU 14 1HD1 LEU 14 -0.293 -20.470 4.274 114 HD12 LEU 14 2HD1 LEU 14 -0.531 -22.109 4.879 115 HD13 LEU 14 3HD1 LEU 14 -1.227 -20.740 5.745 116 HD21 LEU 14 3HD2 LEU 14 -3.192 -23.122 4.406 117 HD22 LEU 14 1HD2 LEU 14 -4.284 -21.737 4.411 118 HD23 LEU 14 2HD2 LEU 14 -3.155 -21.973 5.745 119 H ALA 15 H ALA 15 -1.315 -17.497 5.627 120 HA ALA 15 HA ALA 15 -2.350 -15.100 4.270 121 HB1 ALA 15 1HB ALA 15 -1.465 -13.781 5.953 122 HB2 ALA 15 2HB ALA 15 -1.997 -15.213 6.835 123 HB3 ALA 15 3HB ALA 15 -0.291 -15.005 6.437 124 H THR 16 H THR 16 -1.302 -14.444 2.522 125 HA THR 16 HA THR 16 1.600 -14.874 2.350 126 HB THR 16 HB THR 16 -0.049 -15.146 -0.132 127 HG1 THR 16 HG1 THR 16 0.450 -17.212 1.770 128 HG21 THR 16 3HG2 THR 16 2.043 -16.965 -0.122 129 HG22 THR 16 1HG2 THR 16 2.704 -15.553 0.701 130 HG23 THR 16 2HG2 THR 16 2.029 -15.394 -0.921 131 H GLU 17 H GLU 17 2.705 -13.422 0.906 132 HA GLU 17 HA GLU 17 1.260 -10.880 0.580 133 HB2 GLU 17 2HB GLU 17 3.090 -10.540 2.035 134 HB3 GLU 17 3HB GLU 17 4.166 -11.513 1.041 135 HG2 GLU 17 2HG GLU 17 4.225 -9.823 -0.656 136 HG3 GLU 17 3HG GLU 17 2.997 -8.878 0.184 137 H ILE 18 H ILE 18 1.419 -9.715 -1.337 138 HA ILE 18 HA ILE 18 2.693 -11.082 -3.606 139 HB ILE 18 HB ILE 18 -0.064 -9.851 -3.675 140 HG12 ILE 18 2HG1 ILE 18 0.027 -12.025 -2.483 141 HG13 ILE 18 3HG1 ILE 18 -0.893 -12.115 -3.981 142 HG21 ILE 18 1HG2 ILE 18 1.840 -10.400 -5.731 143 HG22 ILE 18 2HG2 ILE 18 0.446 -11.460 -5.932 144 HG23 ILE 18 3HG2 ILE 18 0.222 -9.712 -5.871 145 HD11 ILE 18 3HD1 ILE 18 1.984 -12.948 -3.752 146 HD12 ILE 18 1HD1 ILE 18 0.623 -14.048 -3.535 147 HD13 ILE 18 2HD1 ILE 18 0.872 -13.249 -5.088 148 H VAL 19 H VAL 19 4.158 -9.761 -4.437 149 HA VAL 19 HA VAL 19 4.589 -7.123 -3.873 150 HB VAL 19 HB VAL 19 5.141 -8.379 -6.564 151 HG11 VAL 19 1HG1 VAL 19 5.695 -6.184 -6.884 152 HG12 VAL 19 2HG1 VAL 19 6.061 -5.912 -5.179 153 HG13 VAL 19 3HG1 VAL 19 7.208 -6.780 -6.201 154 HG21 VAL 19 3HG2 VAL 19 6.113 -9.882 -5.085 155 HG22 VAL 19 1HG2 VAL 19 7.434 -8.765 -5.430 156 HG23 VAL 19 2HG2 VAL 19 6.530 -8.624 -3.922 157 H ASP 20 H ASP 20 4.151 -5.146 -4.909 158 HA ASP 20 HA ASP 20 1.579 -4.557 -5.559 159 HB2 ASP 20 2HB ASP 20 3.523 -2.950 -5.185 160 HB3 ASP 20 3HB ASP 20 3.892 -3.155 -6.895 161 H PHE 21 H PHE 21 0.510 -5.926 -6.920 162 HA PHE 21 HA PHE 21 1.522 -6.147 -9.674 163 HB2 PHE 21 2HB PHE 21 -0.029 -7.977 -7.914 164 HB3 PHE 21 3HB PHE 21 -0.402 -8.006 -9.635 165 HD1 PHE 21 HD1 PHE 21 2.951 -7.294 -8.320 166 HD2 PHE 21 HD2 PHE 21 0.377 -10.230 -10.015 167 HE1 PHE 21 HE1 PHE 21 4.887 -8.762 -8.710 168 HE2 PHE 21 HE2 PHE 21 2.308 -11.702 -10.407 169 HZ PHE 21 HZ PHE 21 4.567 -10.969 -9.754 170 H THR 22 H THR 22 -0.435 -6.550 -11.252 171 HA THR 22 HA THR 22 -2.190 -4.229 -10.928 172 HB THR 22 HB THR 22 -2.513 -4.236 -13.276 173 HG1 THR 22 HG1 THR 22 -1.737 -6.002 -14.567 174 HG21 THR 22 3HG2 THR 22 -0.335 -3.383 -12.646 175 HG22 THR 22 1HG2 THR 22 -0.206 -4.244 -14.179 176 HG23 THR 22 2HG2 THR 22 0.347 -5.008 -12.688 177 H GLN 23 H GLN 23 -4.363 -4.645 -12.278 178 HA GLN 23 HA GLN 23 -5.885 -6.437 -10.704 179 HB2 GLN 23 2HB GLN 23 -6.646 -5.087 -13.300 180 HB3 GLN 23 3HB GLN 23 -7.759 -5.815 -12.149 181 HG2 GLN 23 2HG GLN 23 -7.691 -4.051 -10.763 182 HG3 GLN 23 3HG GLN 23 -5.974 -3.765 -11.039 183 HE21 GLN 23 1HE2 GLN 23 -8.943 -3.719 -12.989 184 HE22 GLN 23 2HE2 GLN 23 -8.642 -2.182 -13.718 185 H ASP 24 H ASP 24 -4.082 -6.840 -13.583 186 HA ASP 24 HA ASP 24 -5.463 -8.876 -14.886 187 HB2 ASP 24 2HB ASP 24 -2.480 -8.430 -14.659 188 HB3 ASP 24 3HB ASP 24 -3.240 -9.532 -15.803 189 H ASP 25 H ASP 25 -3.001 -9.109 -12.334 190 HA ASP 25 HA ASP 25 -3.237 -11.970 -12.166 191 HB2 ASP 25 2HB ASP 25 -1.645 -9.863 -10.800 192 HB3 ASP 25 3HB ASP 25 -1.899 -11.372 -9.927 193 H LEU 26 H LEU 26 -5.082 -9.414 -11.049 194 HA LEU 26 HA LEU 26 -5.831 -10.249 -8.477 195 HB2 LEU 26 2HB LEU 26 -6.335 -8.064 -9.826 196 HB3 LEU 26 3HB LEU 26 -7.787 -8.937 -10.311 197 HG LEU 26 HG LEU 26 -8.269 -7.465 -8.452 198 HD11 LEU 26 1HD1 LEU 26 -8.231 -10.361 -7.616 199 HD12 LEU 26 2HD1 LEU 26 -9.483 -9.571 -8.574 200 HD13 LEU 26 3HD1 LEU 26 -9.221 -9.092 -6.897 201 HD21 LEU 26 3HD2 LEU 26 -6.017 -7.355 -7.498 202 HD22 LEU 26 1HD2 LEU 26 -6.173 -9.021 -6.940 203 HD23 LEU 26 2HD2 LEU 26 -7.220 -7.766 -6.275 204 H ASP 27 H ASP 27 -6.392 -12.333 -8.174 205 HA ASP 27 HA ASP 27 -7.716 -14.019 -9.924 206 HB2 ASP 27 2HB ASP 27 -8.070 -14.153 -6.932 207 HB3 ASP 27 3HB ASP 27 -8.060 -15.484 -8.086 208 H GLU 28 H GLU 28 -9.943 -15.042 -9.330 209 HA GLU 28 HA GLU 28 -11.917 -13.101 -9.874 210 HB2 GLU 28 2HB GLU 28 -12.075 -15.999 -9.065 211 HB3 GLU 28 3HB GLU 28 -13.512 -15.034 -9.374 212 HG2 GLU 28 2HG GLU 28 -11.320 -15.711 -11.316 213 HG3 GLU 28 3HG GLU 28 -12.989 -16.275 -11.342 214 H ASN 29 H ASN 29 -11.749 -15.257 -7.036 215 HA ASN 29 HA ASN 29 -12.764 -13.029 -5.400 216 HB2 ASN 29 2HB ASN 29 -13.561 -15.939 -5.157 217 HB3 ASN 29 3HB ASN 29 -14.115 -14.628 -4.120 218 HD21 ASN 29 1HD2 ASN 29 -14.548 -16.295 -7.059 219 HD22 ASN 29 2HD2 ASN 29 -15.868 -15.359 -7.663 220 H ASP 30 H ASP 30 -11.010 -12.459 -4.256 221 HA ASP 30 HA ASP 30 -9.872 -14.440 -2.450 222 HB2 ASP 30 2HB ASP 30 -8.382 -13.107 -4.653 223 HB3 ASP 30 3HB ASP 30 -7.560 -13.267 -3.104 224 H VAL 31 H VAL 31 -8.388 -13.371 -0.834 225 HA VAL 31 HA VAL 31 -9.553 -10.785 -0.076 226 HB VAL 31 HB VAL 31 -7.964 -12.694 1.643 227 HG11 VAL 31 1HG1 VAL 31 -9.612 -10.261 2.320 228 HG12 VAL 31 2HG1 VAL 31 -8.914 -11.371 3.502 229 HG13 VAL 31 3HG1 VAL 31 -7.861 -10.422 2.453 230 HG21 VAL 31 3HG2 VAL 31 -10.640 -12.580 2.488 231 HG22 VAL 31 1HG2 VAL 31 -10.682 -12.826 0.743 232 HG23 VAL 31 2HG2 VAL 31 -9.793 -13.950 1.771 233 H TYR 32 H TYR 32 -8.375 -9.129 -0.803 234 HA TYR 32 HA TYR 32 -5.442 -9.314 -0.645 235 HB2 TYR 32 2HB TYR 32 -7.053 -7.332 -2.259 236 HB3 TYR 32 3HB TYR 32 -5.326 -7.651 -2.373 237 HD1 TYR 32 HD2 TYR 32 -8.677 -9.059 -3.052 238 HD2 TYR 32 HD1 TYR 32 -4.491 -9.411 -3.729 239 HE1 TYR 32 HE2 TYR 32 -9.107 -10.724 -4.810 240 HE2 TYR 32 HE1 TYR 32 -4.910 -11.077 -5.490 241 HH TYR 32 HH TYR 32 -6.575 -12.593 -6.232 242 H LEU 33 H LEU 33 -4.305 -7.270 -0.127 243 HA LEU 33 HA LEU 33 -5.831 -5.414 1.537 244 HB2 LEU 33 2HB LEU 33 -3.678 -7.248 2.460 245 HB3 LEU 33 3HB LEU 33 -3.755 -5.630 3.154 246 HG LEU 33 HG LEU 33 -6.189 -6.191 3.722 247 HD11 LEU 33 1HD1 LEU 33 -5.819 -8.956 4.076 248 HD12 LEU 33 2HD1 LEU 33 -5.410 -8.602 2.397 249 HD13 LEU 33 3HD1 LEU 33 -6.988 -8.140 3.036 250 HD21 LEU 33 3HD2 LEU 33 -5.522 -7.327 5.783 251 HD22 LEU 33 1HD2 LEU 33 -4.419 -6.009 5.386 252 HD23 LEU 33 2HD2 LEU 33 -3.943 -7.679 5.079 253 H LEU 34 H LEU 34 -5.405 -3.497 0.673 254 HA LEU 34 HA LEU 34 -2.667 -2.946 -0.259 255 HB2 LEU 34 2HB LEU 34 -4.279 -2.801 -2.039 256 HB3 LEU 34 3HB LEU 34 -5.303 -1.737 -1.077 257 HG LEU 34 HG LEU 34 -3.130 -0.210 -1.149 258 HD11 LEU 34 1HD1 LEU 34 -1.645 -1.542 -2.358 259 HD12 LEU 34 2HD1 LEU 34 -2.261 -0.399 -3.551 260 HD13 LEU 34 3HD1 LEU 34 -2.885 -2.048 -3.506 261 HD21 LEU 34 3HD2 LEU 34 -4.620 -0.114 -3.685 262 HD22 LEU 34 1HD2 LEU 34 -4.372 1.132 -2.462 263 HD23 LEU 34 2HD2 LEU 34 -5.606 -0.105 -2.222 264 H ASP 35 H ASP 35 -1.674 -2.094 1.496 265 HA ASP 35 HA ASP 35 -3.019 -0.095 3.120 266 HB2 ASP 35 2HB ASP 35 -0.135 -0.839 3.457 267 HB3 ASP 35 3HB ASP 35 -1.317 -0.378 4.679 268 H THR 36 H THR 36 -3.070 1.932 2.425 269 HA THR 36 HA THR 36 -0.800 2.963 0.866 270 HB THR 36 HB THR 36 -2.207 4.393 -0.249 271 HG1 THR 36 HG1 THR 36 -4.394 4.847 0.793 272 HG21 THR 36 3HG2 THR 36 -2.939 2.077 -0.683 273 HG22 THR 36 1HG2 THR 36 -4.259 3.233 -0.847 274 HG23 THR 36 2HG2 THR 36 -4.139 2.231 0.599 275 H TRP 37 H TRP 37 -0.631 5.481 1.157 276 HA TRP 37 HA TRP 37 0.276 5.924 3.802 277 HB2 TRP 37 2HB TRP 37 1.317 7.033 1.892 278 HB3 TRP 37 3HB TRP 37 -0.184 7.887 1.545 279 HD1 TRP 37 HD1 TRP 37 -1.024 9.502 3.778 280 HE1 TRP 37 HE1 TRP 37 0.461 11.108 5.135 281 HE3 TRP 37 HE3 TRP 37 3.555 7.538 2.632 282 HZ2 TRP 37 HZ2 TRP 37 3.209 11.492 5.650 283 HZ3 TRP 37 HZ3 TRP 37 5.562 8.584 3.597 284 HH2 TRP 37 HH2 TRP 37 5.391 10.520 5.075 285 H ASP 38 H ASP 38 -2.647 6.830 2.070 286 HA ASP 38 HA ASP 38 -3.623 8.514 4.190 287 HB2 ASP 38 2HB ASP 38 -4.634 7.598 1.541 288 HB3 ASP 38 3HB ASP 38 -5.819 8.141 2.726 289 H GLN 39 H GLN 39 -4.370 5.271 2.960 290 HA GLN 39 HA GLN 39 -5.001 4.228 5.490 291 HB2 GLN 39 2HB GLN 39 -7.009 5.807 4.875 292 HB3 GLN 39 3HB GLN 39 -7.496 4.459 3.856 293 HG2 GLN 39 2HG GLN 39 -8.572 4.445 6.069 294 HG3 GLN 39 3HG GLN 39 -7.619 2.996 5.752 295 HE21 GLN 39 1HE2 GLN 39 -7.149 2.425 7.804 296 HE22 GLN 39 2HE2 GLN 39 -6.213 3.387 8.891 297 H ILE 40 H ILE 40 -5.951 2.018 5.343 298 HA ILE 40 HA ILE 40 -4.878 0.683 2.987 299 HB ILE 40 HB ILE 40 -6.049 -0.614 5.445 300 HG12 ILE 40 2HG1 ILE 40 -3.380 -0.877 5.775 301 HG13 ILE 40 3HG1 ILE 40 -3.432 0.699 4.994 302 HG21 ILE 40 1HG2 ILE 40 -5.385 -2.579 4.593 303 HG22 ILE 40 2HG2 ILE 40 -5.379 -1.720 3.053 304 HG23 ILE 40 3HG2 ILE 40 -3.880 -1.910 3.962 305 HD11 ILE 40 3HD1 ILE 40 -5.407 0.808 6.945 306 HD12 ILE 40 1HD1 ILE 40 -4.054 -0.030 7.705 307 HD13 ILE 40 2HD1 ILE 40 -3.815 1.565 6.992 308 H PHE 41 H PHE 41 -6.112 0.072 1.349 309 HA PHE 41 HA PHE 41 -9.008 0.123 1.630 310 HB2 PHE 41 2HB PHE 41 -7.089 0.195 -0.641 311 HB3 PHE 41 3HB PHE 41 -8.678 -0.495 -0.952 312 HD1 PHE 41 HD1 PHE 41 -7.061 2.519 0.515 313 HD2 PHE 41 HD2 PHE 41 -10.432 0.895 -1.514 314 HE1 PHE 41 HE1 PHE 41 -7.985 4.783 0.245 315 HE2 PHE 41 HE2 PHE 41 -11.361 3.157 -1.788 316 HZ PHE 41 HZ PHE 41 -10.137 5.105 -0.909 317 H PHE 42 H PHE 42 -9.951 -1.667 2.352 318 HA PHE 42 HA PHE 42 -8.778 -4.273 1.794 319 HB2 PHE 42 2HB PHE 42 -10.751 -3.203 3.738 320 HB3 PHE 42 3HB PHE 42 -10.953 -4.881 3.246 321 HD1 PHE 42 HD1 PHE 42 -8.328 -2.534 4.463 322 HD2 PHE 42 HD2 PHE 42 -9.814 -6.522 4.388 323 HE1 PHE 42 HE1 PHE 42 -6.591 -3.208 6.070 324 HE2 PHE 42 HE2 PHE 42 -8.081 -7.202 5.996 325 HZ PHE 42 HZ PHE 42 -6.466 -5.544 6.840 326 H TRP 43 H TRP 43 -9.298 -5.211 -0.065 327 HA TRP 43 HA TRP 43 -11.945 -4.734 -1.227 328 HB2 TRP 43 2HB TRP 43 -9.282 -5.460 -2.310 329 HB3 TRP 43 3HB TRP 43 -10.676 -6.163 -3.126 330 HD1 TRP 43 HD1 TRP 43 -10.317 -2.571 -1.705 331 HE1 TRP 43 HE1 TRP 43 -10.760 -0.914 -3.624 332 HE3 TRP 43 HE3 TRP 43 -10.893 -5.904 -5.539 333 HZ2 TRP 43 HZ2 TRP 43 -11.285 -1.007 -6.395 334 HZ3 TRP 43 HZ3 TRP 43 -11.365 -5.037 -7.793 335 HH2 TRP 43 HH2 TRP 43 -11.557 -2.639 -8.210 336 H ILE 44 H ILE 44 -13.406 -6.123 -0.432 337 HA ILE 44 HA ILE 44 -12.653 -8.948 -0.139 338 HB ILE 44 HB ILE 44 -15.016 -7.449 0.996 339 HG12 ILE 44 2HG1 ILE 44 -12.925 -6.879 2.108 340 HG13 ILE 44 3HG1 ILE 44 -13.908 -7.886 3.166 341 HG21 ILE 44 1HG2 ILE 44 -14.368 -10.328 0.822 342 HG22 ILE 44 2HG2 ILE 44 -14.995 -9.746 2.363 343 HG23 ILE 44 3HG2 ILE 44 -15.933 -9.518 0.887 344 HD11 ILE 44 3HD1 ILE 44 -12.514 -9.836 2.215 345 HD12 ILE 44 1HD1 ILE 44 -11.395 -8.571 1.709 346 HD13 ILE 44 2HD1 ILE 44 -11.791 -8.767 3.417 347 H GLY 45 H GLY 45 -13.303 -10.343 -1.634 348 HA2 GLY 45 2HA GLY 45 -15.221 -9.523 -3.647 349 HA3 GLY 45 3HA GLY 45 -14.284 -11.010 -3.639 350 H LYS 46 H LYS 46 -16.330 -11.977 -4.330 351 HA LYS 46 HA LYS 46 -18.373 -12.200 -2.257 352 HB2 LYS 46 2HB LYS 46 -18.248 -13.022 -5.151 353 HB3 LYS 46 3HB LYS 46 -19.527 -13.593 -4.087 354 HG2 LYS 46 2HG LYS 46 -19.509 -10.869 -3.660 355 HG3 LYS 46 3HG LYS 46 -19.199 -11.024 -5.391 356 HD2 LYS 46 2HD LYS 46 -21.173 -12.741 -5.285 357 HD3 LYS 46 3HD LYS 46 -21.580 -11.874 -3.802 358 HE2 LYS 46 2HE LYS 46 -20.964 -10.147 -6.088 359 HE3 LYS 46 3HE LYS 46 -22.387 -11.164 -6.310 360 HZ1 LYS 46 3HZ LYS 46 -21.926 -9.357 -3.998 361 HZ2 LYS 46 1HZ LYS 46 -23.310 -10.291 -4.274 362 HZ3 LYS 46 2HZ LYS 46 -22.929 -9.014 -5.316 363 H GLY 47 H GLY 47 -15.959 -14.134 -3.927 364 HA2 GLY 47 2HA GLY 47 -16.811 -16.613 -2.735 365 HA3 GLY 47 3HA GLY 47 -15.350 -16.354 -3.677 366 H ALA 48 H ALA 48 -14.490 -14.115 -1.966 367 HA ALA 48 HA ALA 48 -12.763 -15.405 -0.262 368 HB1 ALA 48 1HB ALA 48 -12.664 -13.190 0.975 369 HB2 ALA 48 2HB ALA 48 -12.330 -13.144 -0.757 370 HB3 ALA 48 3HB ALA 48 -13.902 -12.626 -0.148 371 H ASN 49 H ASN 49 -12.982 -16.494 1.575 372 HA ASN 49 HA ASN 49 -15.483 -16.883 2.821 373 HB2 ASN 49 2HB ASN 49 -12.679 -17.712 3.349 374 HB3 ASN 49 3HB ASN 49 -13.797 -17.784 4.708 375 HD21 ASN 49 1HD2 ASN 49 -15.262 -19.387 4.808 376 HD22 ASN 49 2HD2 ASN 49 -15.432 -20.628 3.618 377 H GLU 50 H GLU 50 -15.915 -16.495 5.155 378 HA GLU 50 HA GLU 50 -15.635 -13.716 5.740 379 HB2 GLU 50 2HB GLU 50 -16.835 -16.037 7.238 380 HB3 GLU 50 3HB GLU 50 -16.764 -14.422 7.929 381 HG2 GLU 50 2HG GLU 50 -17.849 -13.977 5.447 382 HG3 GLU 50 3HG GLU 50 -18.556 -15.521 5.921 383 H SER 51 H SER 51 -14.028 -16.636 6.775 384 HA SER 51 HA SER 51 -12.718 -15.463 9.032 385 HB2 SER 51 2HB SER 51 -12.448 -18.049 7.533 386 HB3 SER 51 3HB SER 51 -11.217 -17.581 8.706 387 HG SER 51 HG SER 51 -12.935 -17.378 10.249 388 H GLU 52 H GLU 52 -11.790 -16.173 5.690 389 HA GLU 52 HA GLU 52 -9.104 -15.540 5.782 390 HB2 GLU 52 2HB GLU 52 -11.041 -14.939 3.539 391 HB3 GLU 52 3HB GLU 52 -9.291 -15.008 3.388 392 HG2 GLU 52 2HG GLU 52 -9.275 -17.350 3.866 393 HG3 GLU 52 3HG GLU 52 -10.994 -17.329 4.255 394 H LYS 53 H LYS 53 -11.823 -13.340 5.118 395 HA LYS 53 HA LYS 53 -10.301 -11.000 4.851 396 HB2 LYS 53 2HB LYS 53 -12.481 -10.798 4.075 397 HB3 LYS 53 3HB LYS 53 -13.168 -11.572 5.497 398 HG2 LYS 53 2HG LYS 53 -11.791 -8.979 5.891 399 HG3 LYS 53 3HG LYS 53 -13.351 -8.963 5.065 400 HD2 LYS 53 2HD LYS 53 -13.525 -10.680 7.338 401 HD3 LYS 53 3HD LYS 53 -12.837 -9.134 7.842 402 HE2 LYS 53 2HE LYS 53 -14.708 -7.949 6.857 403 HE3 LYS 53 3HE LYS 53 -15.373 -9.461 6.240 404 HZ1 LYS 53 3HZ LYS 53 -15.218 -8.524 9.035 405 HZ2 LYS 53 1HZ LYS 53 -15.394 -10.169 8.679 406 HZ3 LYS 53 2HZ LYS 53 -16.569 -9.063 8.172 407 H GLU 54 H GLU 54 -11.437 -12.716 7.662 408 HA GLU 54 HA GLU 54 -10.974 -10.567 9.504 409 HB2 GLU 54 2HB GLU 54 -11.328 -13.528 10.002 410 HB3 GLU 54 3HB GLU 54 -11.334 -12.281 11.241 411 HG2 GLU 54 2HG GLU 54 -13.232 -11.725 9.125 412 HG3 GLU 54 3HG GLU 54 -13.526 -13.280 9.900 413 H ALA 55 H ALA 55 -9.338 -13.690 8.956 414 HA ALA 55 HA ALA 55 -7.148 -13.177 10.634 415 HB1 ALA 55 1HB ALA 55 -6.264 -15.157 9.874 416 HB2 ALA 55 2HB ALA 55 -7.972 -15.381 9.493 417 HB3 ALA 55 3HB ALA 55 -6.840 -14.908 8.225 418 H ALA 56 H ALA 56 -7.474 -12.829 7.106 419 HA ALA 56 HA ALA 56 -4.887 -11.902 6.591 420 HB1 ALA 56 1HB ALA 56 -5.619 -11.398 4.457 421 HB2 ALA 56 2HB ALA 56 -6.776 -12.627 4.968 422 HB3 ALA 56 3HB ALA 56 -7.226 -10.922 5.008 423 H ALA 57 H ALA 57 -7.670 -10.288 7.901 424 HA ALA 57 HA ALA 57 -6.759 -7.621 7.414 425 HB1 ALA 57 1HB ALA 57 -8.511 -7.257 9.390 426 HB2 ALA 57 2HB ALA 57 -9.005 -7.560 7.724 427 HB3 ALA 57 3HB ALA 57 -8.992 -8.880 8.894 428 H GLU 58 H GLU 58 -6.698 -9.806 10.209 429 HA GLU 58 HA GLU 58 -5.465 -7.950 11.968 430 HB2 GLU 58 2HB GLU 58 -5.803 -10.940 12.015 431 HB3 GLU 58 3HB GLU 58 -4.896 -10.098 13.264 432 HG2 GLU 58 2HG GLU 58 -7.429 -8.818 12.851 433 HG3 GLU 58 3HG GLU 58 -7.653 -10.540 13.152 434 H THR 59 H THR 59 -4.232 -10.515 9.874 435 HA THR 59 HA THR 59 -1.590 -10.598 10.679 436 HB THR 59 HB THR 59 -2.677 -10.866 7.870 437 HG1 THR 59 HG1 THR 59 -2.299 -12.649 10.034 438 HG21 THR 59 3HG2 THR 59 0.018 -11.530 9.041 439 HG22 THR 59 1HG2 THR 59 -0.341 -10.504 7.654 440 HG23 THR 59 2HG2 THR 59 -0.579 -12.248 7.546 441 H ALA 60 H ALA 60 -3.226 -8.228 8.680 442 HA ALA 60 HA ALA 60 -0.878 -6.920 7.744 443 HB1 ALA 60 1HB ALA 60 -2.702 -4.994 7.494 444 HB2 ALA 60 2HB ALA 60 -2.614 -6.368 6.391 445 HB3 ALA 60 3HB ALA 60 -3.787 -6.368 7.708 446 H GLN 61 H GLN 61 -3.054 -6.403 10.482 447 HA GLN 61 HA GLN 61 -2.166 -3.959 11.394 448 HB2 GLN 61 2HB GLN 61 -3.122 -6.390 12.896 449 HB3 GLN 61 3HB GLN 61 -2.752 -4.874 13.706 450 HG2 GLN 61 2HG GLN 61 -4.435 -4.236 11.548 451 HG3 GLN 61 3HG GLN 61 -5.128 -5.656 12.331 452 HE21 GLN 61 1HE2 GLN 61 -6.590 -5.142 13.777 453 HE22 GLN 61 2HE2 GLN 61 -6.560 -3.767 14.822 454 H GLU 62 H GLU 62 -0.625 -7.088 11.634 455 HA GLU 62 HA GLU 62 1.249 -6.562 13.631 456 HB2 GLU 62 2HB GLU 62 1.253 -8.389 11.247 457 HB3 GLU 62 3HB GLU 62 2.664 -8.272 12.289 458 HG2 GLU 62 2HG GLU 62 -0.054 -8.858 13.402 459 HG3 GLU 62 3HG GLU 62 0.972 -10.132 12.745 460 H TYR 63 H TYR 63 1.348 -5.893 10.164 461 HA TYR 63 HA TYR 63 4.031 -4.919 10.177 462 HB2 TYR 63 2HB TYR 63 3.246 -5.717 8.096 463 HB3 TYR 63 3HB TYR 63 1.770 -4.763 8.192 464 HD1 TYR 63 HD2 TYR 63 1.790 -2.382 7.661 465 HD2 TYR 63 HD1 TYR 63 5.330 -4.724 7.363 466 HE1 TYR 63 HE2 TYR 63 2.853 -0.597 6.344 467 HE2 TYR 63 HE1 TYR 63 6.403 -2.945 6.047 468 HH TYR 63 HH TYR 63 5.126 -0.816 4.446 469 H LEU 64 H LEU 64 0.851 -3.457 10.497 470 HA LEU 64 HA LEU 64 1.466 -0.782 10.149 471 HB2 LEU 64 2HB LEU 64 -0.558 -2.253 11.762 472 HB3 LEU 64 3HB LEU 64 -0.373 -0.520 12.020 473 HG LEU 64 HG LEU 64 -2.190 -1.321 10.400 474 HD11 LEU 64 1HD1 LEU 64 -0.997 0.544 8.712 475 HD12 LEU 64 2HD1 LEU 64 -0.387 0.926 10.322 476 HD13 LEU 64 3HD1 LEU 64 -2.125 0.866 10.029 477 HD21 LEU 64 3HD2 LEU 64 0.254 -1.686 8.671 478 HD22 LEU 64 1HD2 LEU 64 -1.409 -1.645 8.084 479 HD23 LEU 64 2HD2 LEU 64 -0.886 -2.939 9.163 480 H ARG 65 H ARG 65 2.115 -2.881 12.865 481 HA ARG 65 HA ARG 65 2.602 -1.074 14.892 482 HB2 ARG 65 2HB ARG 65 3.988 -3.670 14.222 483 HB3 ARG 65 3HB ARG 65 4.307 -2.770 15.699 484 HG2 ARG 65 2HG ARG 65 1.675 -2.911 15.921 485 HG3 ARG 65 3HG ARG 65 1.917 -4.333 14.904 486 HD2 ARG 65 2HD ARG 65 3.434 -5.286 16.508 487 HD3 ARG 65 3HD ARG 65 3.392 -3.817 17.481 488 HE ARG 65 HE ARG 65 1.523 -5.955 17.547 489 HH11 ARG 65 1HH1 ARG 65 1.793 -2.498 17.852 490 HH12 ARG 65 2HH1 ARG 65 0.401 -2.348 18.873 491 HH21 ARG 65 1HH2 ARG 65 -0.311 -5.771 18.891 492 HH22 ARG 65 2HH2 ARG 65 -0.794 -4.211 19.464 493 H SER 66 H SER 66 4.521 -1.784 12.070 494 HA SER 66 HA SER 66 6.976 -0.706 12.894 495 HB2 SER 66 2HB SER 66 7.565 -0.641 10.564 496 HB3 SER 66 3HB SER 66 6.577 -2.079 10.822 497 HG SER 66 HG SER 66 5.744 -1.105 9.042 498 H HIS 67 H HIS 67 4.077 0.795 11.607 499 HA HIS 67 HA HIS 67 5.341 3.431 11.985 500 HB2 HIS 67 2HB HIS 67 3.563 2.389 9.839 501 HB3 HIS 67 3HB HIS 67 3.332 4.062 10.339 502 HD1 HIS 67 HD1 HIS 67 6.801 2.787 10.457 503 HD2 HIS 67 HD2 HIS 67 4.355 4.828 7.789 504 HE1 HIS 67 HE1 HIS 67 8.347 3.721 8.707 505 HA PRO 68 HA PRO 68 2.049 3.252 15.144 506 HB2 PRO 68 2HB PRO 68 3.290 4.985 16.826 507 HB3 PRO 68 3HB PRO 68 3.671 3.260 16.772 508 HG2 PRO 68 2HG PRO 68 5.112 5.560 15.508 509 HG3 PRO 68 3HG PRO 68 5.778 4.155 16.361 510 HD2 PRO 68 2HD PRO 68 5.715 4.325 13.659 511 HD3 PRO 68 3HD PRO 68 5.565 2.781 14.522 512 H GLY 69 H GLY 69 1.513 5.532 16.570 513 HA2 GLY 69 2HA GLY 69 1.294 7.975 16.021 514 HA3 GLY 69 3HA GLY 69 0.752 7.433 14.439 515 H SER 70 H SER 70 -0.789 9.132 15.972 516 HA SER 70 HA SER 70 -2.903 7.421 17.080 517 HB2 SER 70 2HB SER 70 -2.905 10.414 17.299 518 HB3 SER 70 3HB SER 70 -3.603 9.217 18.391 519 HG SER 70 HG SER 70 -1.389 8.608 18.877 520 H ARG 71 H ARG 71 -2.093 8.775 14.223 521 HA ARG 71 HA ARG 71 -4.781 9.650 13.492 522 HB2 ARG 71 2HB ARG 71 -2.067 9.925 12.293 523 HB3 ARG 71 3HB ARG 71 -3.451 9.957 11.209 524 HG2 ARG 71 2HG ARG 71 -4.199 11.682 13.212 525 HG3 ARG 71 3HG ARG 71 -2.468 11.983 13.045 526 HD2 ARG 71 2HD ARG 71 -3.016 12.017 10.492 527 HD3 ARG 71 3HD ARG 71 -4.661 12.330 11.046 528 HE ARG 71 HE ARG 71 -2.714 14.061 12.246 529 HH11 ARG 71 1HH1 ARG 71 -4.743 13.555 9.463 530 HH12 ARG 71 2HH1 ARG 71 -4.803 15.233 9.039 531 HH21 ARG 71 1HH2 ARG 71 -2.785 16.274 11.698 532 HH22 ARG 71 2HH2 ARG 71 -3.688 16.779 10.310 533 H ASP 72 H ASP 72 -3.896 6.795 14.025 534 HA ASP 72 HA ASP 72 -4.421 5.588 11.409 535 HB2 ASP 72 2HB ASP 72 -3.183 4.643 13.946 536 HB3 ASP 72 3HB ASP 72 -4.015 3.449 12.954 537 H LEU 73 H LEU 73 -5.952 6.325 14.377 538 HA LEU 73 HA LEU 73 -8.062 4.349 13.992 539 HB2 LEU 73 2HB LEU 73 -7.526 6.367 16.159 540 HB3 LEU 73 3HB LEU 73 -8.967 5.353 16.113 541 HG LEU 73 HG LEU 73 -6.520 3.797 15.924 542 HD11 LEU 73 1HD1 LEU 73 -5.277 4.875 17.422 543 HD12 LEU 73 2HD1 LEU 73 -6.467 4.379 18.624 544 HD13 LEU 73 3HD1 LEU 73 -6.599 5.960 17.854 545 HD21 LEU 73 3HD2 LEU 73 -8.689 2.826 16.385 546 HD22 LEU 73 1HD2 LEU 73 -8.856 3.821 17.832 547 HD23 LEU 73 2HD2 LEU 73 -7.613 2.572 17.760 548 H ASP 74 H ASP 74 -7.682 7.875 14.177 549 HA ASP 74 HA ASP 74 -10.306 8.644 13.771 550 HB2 ASP 74 2HB ASP 74 -7.701 9.917 12.954 551 HB3 ASP 74 3HB ASP 74 -9.250 10.689 12.624 552 H THR 75 H THR 75 -8.005 7.358 11.498 553 HA THR 75 HA THR 75 -9.904 7.807 9.295 554 HB THR 75 HB THR 75 -7.041 6.912 8.988 555 HG1 THR 75 HG1 THR 75 -6.449 8.896 9.386 556 HG21 THR 75 3HG2 THR 75 -8.754 6.665 7.116 557 HG22 THR 75 1HG2 THR 75 -7.275 7.543 6.727 558 HG23 THR 75 2HG2 THR 75 -8.768 8.427 7.044 559 HA PRO 76 HA PRO 76 -10.565 3.371 10.133 560 HB2 PRO 76 2HB PRO 76 -13.066 3.337 9.080 561 HB3 PRO 76 3HB PRO 76 -12.728 3.858 10.734 562 HG2 PRO 76 2HG PRO 76 -13.175 5.514 8.281 563 HG3 PRO 76 3HG PRO 76 -13.800 5.756 9.923 564 HD2 PRO 76 2HD PRO 76 -11.681 7.134 8.954 565 HD3 PRO 76 3HD PRO 76 -11.833 6.699 10.668 566 H ILE 77 H ILE 77 -10.894 1.572 8.704 567 HA ILE 77 HA ILE 77 -9.722 1.974 6.123 568 HB ILE 77 HB ILE 77 -10.704 -0.424 7.624 569 HG12 ILE 77 2HG1 ILE 77 -8.095 -0.507 6.323 570 HG13 ILE 77 3HG1 ILE 77 -8.263 0.877 7.398 571 HG21 ILE 77 1HG2 ILE 77 -10.051 -0.286 4.693 572 HG22 ILE 77 2HG2 ILE 77 -9.945 -1.781 5.622 573 HG23 ILE 77 3HG2 ILE 77 -11.492 -0.949 5.464 574 HD11 ILE 77 3HD1 ILE 77 -9.105 -0.837 9.117 575 HD12 ILE 77 1HD1 ILE 77 -8.382 -2.037 8.047 576 HD13 ILE 77 2HD1 ILE 77 -7.380 -0.773 8.759 577 H ILE 78 H ILE 78 -10.659 2.002 4.153 578 HA ILE 78 HA ILE 78 -13.538 2.299 4.045 579 HB ILE 78 HB ILE 78 -11.795 2.329 1.612 580 HG12 ILE 78 2HG1 ILE 78 -11.981 4.497 3.710 581 HG13 ILE 78 3HG1 ILE 78 -10.528 3.668 3.162 582 HG21 ILE 78 1HG2 ILE 78 -13.815 4.402 2.041 583 HG22 ILE 78 2HG2 ILE 78 -13.528 3.366 0.643 584 HG23 ILE 78 3HG2 ILE 78 -14.457 2.760 2.014 585 HD11 ILE 78 3HD1 ILE 78 -11.823 6.008 2.103 586 HD12 ILE 78 1HD1 ILE 78 -10.222 5.354 1.763 587 HD13 ILE 78 2HD1 ILE 78 -11.622 4.772 0.861 588 H VAL 79 H VAL 79 -14.475 0.311 4.293 589 HA VAL 79 HA VAL 79 -13.593 -2.087 3.132 590 HB VAL 79 HB VAL 79 -16.380 -1.297 3.988 591 HG11 VAL 79 1HG1 VAL 79 -16.959 -3.157 2.866 592 HG12 VAL 79 2HG1 VAL 79 -15.302 -3.759 2.802 593 HG13 VAL 79 3HG1 VAL 79 -16.269 -3.991 4.258 594 HG21 VAL 79 3HG2 VAL 79 -15.184 -1.220 5.943 595 HG22 VAL 79 1HG2 VAL 79 -15.615 -2.930 5.905 596 HG23 VAL 79 2HG2 VAL 79 -14.006 -2.414 5.399 597 H VAL 80 H VAL 80 -14.103 -3.144 1.255 598 HA VAL 80 HA VAL 80 -15.721 -1.660 -0.711 599 HB VAL 80 HB VAL 80 -13.264 -3.273 -1.394 600 HG11 VAL 80 1HG1 VAL 80 -13.504 -2.450 -3.584 601 HG12 VAL 80 2HG1 VAL 80 -15.127 -2.942 -3.095 602 HG13 VAL 80 3HG1 VAL 80 -14.682 -1.235 -3.086 603 HG21 VAL 80 3HG2 VAL 80 -12.197 -1.061 -1.825 604 HG22 VAL 80 1HG2 VAL 80 -13.575 -0.297 -1.033 605 HG23 VAL 80 2HG2 VAL 80 -12.524 -1.380 -0.122 606 H LYS 81 H LYS 81 -17.092 -2.837 -1.977 607 HA LYS 81 HA LYS 81 -17.441 -5.646 -1.216 608 HB2 LYS 81 2HB LYS 81 -19.240 -3.498 -2.197 609 HB3 LYS 81 3HB LYS 81 -19.618 -5.138 -2.705 610 HG2 LYS 81 2HG LYS 81 -19.164 -5.434 -0.018 611 HG3 LYS 81 3HG LYS 81 -19.950 -3.856 -0.113 612 HD2 LYS 81 2HD LYS 81 -21.426 -5.436 -1.840 613 HD3 LYS 81 3HD LYS 81 -21.057 -6.517 -0.494 614 HE2 LYS 81 2HE LYS 81 -22.278 -5.301 0.995 615 HE3 LYS 81 3HE LYS 81 -21.964 -3.774 0.172 616 HZ1 LYS 81 3HZ LYS 81 -23.815 -5.886 -0.795 617 HZ2 LYS 81 1HZ LYS 81 -23.542 -4.387 -1.531 618 HZ3 LYS 81 2HZ LYS 81 -24.285 -4.461 -0.013 619 H GLN 82 H GLN 82 -18.164 -7.149 -2.962 620 HA GLN 82 HA GLN 82 -16.290 -7.045 -5.134 621 HB2 GLN 82 2HB GLN 82 -17.161 -9.113 -3.808 622 HB3 GLN 82 3HB GLN 82 -18.507 -9.055 -4.939 623 HG2 GLN 82 2HG GLN 82 -15.599 -9.326 -5.668 624 HG3 GLN 82 3HG GLN 82 -16.796 -10.621 -5.667 625 HE21 GLN 82 1HE2 GLN 82 -15.101 -8.945 -7.707 626 HE22 GLN 82 2HE2 GLN 82 -16.226 -8.695 -8.993 627 H GLY 83 H GLY 83 -16.658 -5.803 -6.852 628 HA2 GLY 83 2HA GLY 83 -17.997 -5.815 -8.952 629 HA3 GLY 83 3HA GLY 83 -19.414 -5.708 -7.918 630 H PHE 84 H PHE 84 -16.694 -3.920 -6.875 631 HA PHE 84 HA PHE 84 -17.593 -1.483 -8.215 632 HB2 PHE 84 2HB PHE 84 -17.195 -1.526 -5.226 633 HB3 PHE 84 3HB PHE 84 -17.891 -0.243 -6.211 634 HD1 PHE 84 HD1 PHE 84 -20.164 -0.425 -7.066 635 HD2 PHE 84 HD2 PHE 84 -18.493 -3.426 -4.552 636 HE1 PHE 84 HE1 PHE 84 -22.416 -1.327 -6.651 637 HE2 PHE 84 HE2 PHE 84 -20.741 -4.333 -4.134 638 HZ PHE 84 HZ PHE 84 -22.706 -3.284 -5.185 639 H GLU 85 H GLU 85 -15.815 -0.762 -9.176 640 HA GLU 85 HA GLU 85 -13.287 -0.821 -7.662 641 HB2 GLU 85 2HB GLU 85 -13.075 -2.328 -9.508 642 HB3 GLU 85 3HB GLU 85 -13.774 -1.159 -10.620 643 HG2 GLU 85 2HG GLU 85 -11.845 0.203 -10.550 644 HG3 GLU 85 3HG GLU 85 -11.186 -0.680 -9.175 645 HA PRO 86 HA PRO 86 -14.218 3.616 -8.226 646 HB2 PRO 86 2HB PRO 86 -12.880 4.388 -5.994 647 HB3 PRO 86 3HB PRO 86 -14.544 3.795 -5.959 648 HG2 PRO 86 2HG PRO 86 -12.001 2.339 -5.346 649 HG3 PRO 86 3HG PRO 86 -13.549 2.299 -4.483 650 HD2 PRO 86 2HD PRO 86 -12.790 0.351 -6.203 651 HD3 PRO 86 3HD PRO 86 -14.488 0.816 -5.977 652 HA PRO 87 HA PRO 87 -10.394 4.644 -10.177 653 HB2 PRO 87 2HB PRO 87 -10.700 7.339 -10.310 654 HB3 PRO 87 3HB PRO 87 -11.589 6.218 -11.349 655 HG2 PRO 87 2HG PRO 87 -12.483 7.595 -8.845 656 HG3 PRO 87 3HG PRO 87 -13.364 7.354 -10.365 657 HD2 PRO 87 2HD PRO 87 -13.779 5.809 -8.180 658 HD3 PRO 87 3HD PRO 87 -13.938 5.186 -9.835 659 H THR 88 H THR 88 -11.292 5.813 -7.061 660 HA THR 88 HA THR 88 -8.923 7.307 -6.511 661 HB THR 88 HB THR 88 -9.715 7.566 -4.326 662 HG1 THR 88 HG1 THR 88 -11.133 6.084 -3.347 663 HG21 THR 88 3HG2 THR 88 -11.255 8.479 -6.074 664 HG22 THR 88 1HG2 THR 88 -12.037 8.139 -4.531 665 HG23 THR 88 2HG2 THR 88 -12.242 7.030 -5.886 666 H PHE 89 H PHE 89 -10.029 4.046 -5.617 667 HA PHE 89 HA PHE 89 -7.712 3.335 -4.174 668 HB2 PHE 89 2HB PHE 89 -9.382 1.865 -3.668 669 HB3 PHE 89 3HB PHE 89 -10.057 1.910 -5.293 670 HD1 PHE 89 HD2 PHE 89 -7.561 0.351 -3.113 671 HD2 PHE 89 HD1 PHE 89 -9.313 0.386 -6.993 672 HE1 PHE 89 HE2 PHE 89 -6.516 -1.822 -3.601 673 HE2 PHE 89 HE1 PHE 89 -8.271 -1.788 -7.486 674 HZ PHE 89 HZ PHE 89 -6.870 -2.894 -5.790 675 H THR 90 H THR 90 -8.685 2.694 -7.530 676 HA THR 90 HA THR 90 -6.576 1.133 -8.362 677 HB THR 90 HB THR 90 -7.491 3.268 -10.230 678 HG1 THR 90 HG1 THR 90 -9.527 2.402 -10.371 679 HG21 THR 90 3HG2 THR 90 -7.376 0.270 -10.540 680 HG22 THR 90 1HG2 THR 90 -6.020 1.342 -10.887 681 HG23 THR 90 2HG2 THR 90 -7.513 1.478 -11.817 682 H GLY 91 H GLY 91 -6.684 4.626 -7.928 683 HA2 GLY 91 2HA GLY 91 -4.342 5.358 -9.239 684 HA3 GLY 91 3HA GLY 91 -5.009 6.192 -7.843 685 H TRP 92 H TRP 92 -4.725 3.553 -6.330 686 HA TRP 92 HA TRP 92 -2.165 4.145 -5.209 687 HB2 TRP 92 2HB TRP 92 -4.050 1.833 -4.699 688 HB3 TRP 92 3HB TRP 92 -2.627 2.210 -3.731 689 HD1 TRP 92 HD1 TRP 92 -6.123 2.508 -3.372 690 HE1 TRP 92 HE1 TRP 92 -6.827 4.528 -1.942 691 HE3 TRP 92 HE3 TRP 92 -1.762 5.171 -3.528 692 HZ2 TRP 92 HZ2 TRP 92 -5.685 6.934 -1.004 693 HZ3 TRP 92 HZ3 TRP 92 -1.651 7.322 -2.339 694 HH2 TRP 92 HH2 TRP 92 -3.573 8.184 -1.104 695 H PHE 93 H PHE 93 -3.290 2.053 -7.688 696 HA PHE 93 HA PHE 93 -1.123 0.175 -7.544 697 HB2 PHE 93 2HB PHE 93 -3.391 0.680 -9.424 698 HB3 PHE 93 3HB PHE 93 -2.035 -0.297 -9.979 699 HD1 PHE 93 HD1 PHE 93 -3.770 -0.081 -6.687 700 HD2 PHE 93 HD2 PHE 93 -2.693 -2.499 -10.020 701 HE1 PHE 93 HE1 PHE 93 -4.737 -2.047 -5.568 702 HE2 PHE 93 HE2 PHE 93 -3.659 -4.469 -8.907 703 HZ PHE 93 HZ PHE 93 -4.683 -4.245 -6.678 704 H MET 94 H MET 94 0.186 -0.187 -9.645 705 HA MET 94 HA MET 94 1.706 2.215 -10.091 706 HB2 MET 94 2HB MET 94 2.171 -0.308 -11.629 707 HB3 MET 94 3HB MET 94 3.340 0.854 -11.015 708 HG2 MET 94 2HG MET 94 2.322 -0.046 -8.699 709 HG3 MET 94 3HG MET 94 2.113 -1.477 -9.705 710 HE1 MET 94 3HE MET 94 5.079 -1.768 -11.500 711 HE2 MET 94 1HE MET 94 5.277 -2.998 -10.251 712 HE3 MET 94 2HE MET 94 3.672 -2.637 -10.885 713 H ALA 95 H ALA 95 -0.925 0.698 -11.606 714 HA ALA 95 HA ALA 95 -0.420 2.156 -14.115 715 HB1 ALA 95 1HB ALA 95 -1.497 0.527 -15.304 716 HB2 ALA 95 2HB ALA 95 -0.829 -0.444 -13.991 717 HB3 ALA 95 3HB ALA 95 -2.520 0.056 -13.946 718 H TRP 96 H TRP 96 -1.394 4.080 -14.028 719 HA TRP 96 HA TRP 96 -3.507 4.831 -12.403 720 HB2 TRP 96 2HB TRP 96 -2.286 5.924 -14.888 721 HB3 TRP 96 3HB TRP 96 -3.856 6.563 -14.409 722 HD1 TRP 96 HD1 TRP 96 -0.370 7.356 -14.013 723 HE1 TRP 96 HE1 TRP 96 0.060 8.809 -11.933 724 HE3 TRP 96 HE3 TRP 96 -4.818 6.647 -11.593 725 HZ2 TRP 96 HZ2 TRP 96 -1.305 9.556 -9.578 726 HZ3 TRP 96 HZ3 TRP 96 -5.175 7.766 -9.431 727 HH2 TRP 96 HH2 TRP 96 -3.454 9.190 -8.446 728 H ASP 97 H ASP 97 -5.714 5.475 -13.054 729 HA ASP 97 HA ASP 97 -6.856 3.539 -14.960 730 HB2 ASP 97 2HB ASP 97 -7.363 3.464 -12.358 731 HB3 ASP 97 3HB ASP 97 -8.522 4.720 -12.783 732 HA PRO 98 HA PRO 98 -8.289 7.006 -17.277 733 HB2 PRO 98 2HB PRO 98 -10.180 5.732 -18.751 734 HB3 PRO 98 3HB PRO 98 -8.447 5.553 -19.050 735 HG2 PRO 98 2HG PRO 98 -10.310 3.739 -17.567 736 HG3 PRO 98 3HG PRO 98 -9.034 3.327 -18.727 737 HD2 PRO 98 2HD PRO 98 -8.691 3.117 -16.050 738 HD3 PRO 98 3HD PRO 98 -7.363 3.528 -17.153 739 H LEU 99 H LEU 99 -10.125 5.318 -14.983 740 HA LEU 99 HA LEU 99 -12.541 6.890 -15.375 741 HB2 LEU 99 2HB LEU 99 -11.797 4.756 -13.386 742 HB3 LEU 99 3HB LEU 99 -13.338 5.610 -13.369 743 HG LEU 99 HG LEU 99 -12.352 3.916 -15.662 744 HD11 LEU 99 1HD1 LEU 99 -14.122 3.273 -13.323 745 HD12 LEU 99 2HD1 LEU 99 -12.703 2.402 -13.904 746 HD13 LEU 99 3HD1 LEU 99 -14.198 2.374 -14.839 747 HD21 LEU 99 3HD2 LEU 99 -14.048 4.775 -16.803 748 HD22 LEU 99 1HD2 LEU 99 -14.425 5.837 -15.446 749 HD23 LEU 99 2HD2 LEU 99 -15.173 4.244 -15.552 750 H CYS 100 H CYS 100 -9.725 7.774 -14.305 751 HA CYS 100 HA CYS 100 -10.173 8.718 -11.669 752 HB2 CYS 100 2HB CYS 100 -8.133 9.166 -13.788 753 HB3 CYS 100 3HB CYS 100 -8.249 10.377 -12.516 754 HG CYS 100 HG CYS 100 -7.953 8.360 -10.472 755 H TRP 101 H TRP 101 -11.243 9.790 -14.721 756 HA TRP 101 HA TRP 101 -11.691 12.529 -13.827 757 HB2 TRP 101 2HB TRP 101 -11.778 11.108 -16.439 758 HB3 TRP 101 3HB TRP 101 -12.839 12.501 -16.245 759 HD1 TRP 101 HD1 TRP 101 -11.774 14.834 -16.559 760 HE1 TRP 101 HE1 TRP 101 -9.381 15.702 -16.935 761 HE3 TRP 101 HE3 TRP 101 -9.199 10.495 -15.736 762 HZ2 TRP 101 HZ2 TRP 101 -6.749 14.682 -16.890 763 HZ3 TRP 101 HZ3 TRP 101 -6.746 10.526 -15.922 764 HH2 TRP 101 HH2 TRP 101 -5.548 12.577 -16.488 765 H SER 102 H SER 102 -13.127 9.939 -12.918 766 HA SER 102 HA SER 102 -15.814 10.104 -13.741 767 HB2 SER 102 2HB SER 102 -16.304 8.598 -11.962 768 HB3 SER 102 3HB SER 102 -14.686 8.176 -12.521 769 HG SER 102 HG SER 102 -15.503 9.320 -10.123 770 H ASP 103 H ASP 103 -13.968 12.125 -11.738 771 HA ASP 103 HA ASP 103 -16.238 13.127 -10.223 772 HB2 ASP 103 2HB ASP 103 -13.350 14.029 -10.278 773 HB3 ASP 103 3HB ASP 103 -14.584 14.631 -9.175 774 H ARG 104 H ARG 104 -14.026 14.232 -12.757 775 HA ARG 104 HA ARG 104 -14.884 16.856 -13.009 776 HB2 ARG 104 2HB ARG 104 -13.662 14.876 -14.878 777 HB3 ARG 104 3HB ARG 104 -14.296 16.373 -15.549 778 HG2 ARG 104 2HG ARG 104 -12.697 16.943 -13.240 779 HG3 ARG 104 3HG ARG 104 -11.792 15.940 -14.375 780 HD2 ARG 104 2HD ARG 104 -11.314 18.029 -15.188 781 HD3 ARG 104 3HD ARG 104 -12.746 17.633 -16.138 782 HE ARG 104 HE ARG 104 -13.396 18.994 -13.714 783 HH11 ARG 104 1HH1 ARG 104 -12.278 19.443 -16.980 784 HH12 ARG 104 2HH1 ARG 104 -12.868 21.068 -17.097 785 HH21 ARG 104 1HH2 ARG 104 -14.177 21.133 -13.856 786 HH22 ARG 104 2HH2 ARG 104 -13.947 22.028 -15.319 787 H LYS 105 H LYS 105 -16.268 13.902 -14.349 788 HA LYS 105 HA LYS 105 -18.240 15.250 -15.922 789 HB2 LYS 105 2HB LYS 105 -18.010 12.376 -15.015 790 HB3 LYS 105 3HB LYS 105 -19.250 12.963 -16.115 791 HG2 LYS 105 2HG LYS 105 -16.344 13.356 -16.717 792 HG3 LYS 105 3HG LYS 105 -17.164 11.840 -17.099 793 HD2 LYS 105 2HD LYS 105 -18.334 14.454 -17.974 794 HD3 LYS 105 3HD LYS 105 -17.028 13.708 -18.899 795 HE2 LYS 105 2HE LYS 105 -18.317 11.840 -19.436 796 HE3 LYS 105 3HE LYS 105 -19.468 12.143 -18.135 797 HZ1 LYS 105 3HZ LYS 105 -19.158 13.980 -20.437 798 HZ2 LYS 105 1HZ LYS 105 -20.425 13.913 -19.317 799 HZ3 LYS 105 2HZ LYS 105 -20.238 12.678 -20.457 800 H SER 106 H SER 106 -17.968 14.368 -12.622 801 HA SER 106 HA SER 106 -20.829 14.397 -12.134 802 HB2 SER 106 2HB SER 106 -20.354 13.614 -10.007 803 HB3 SER 106 3HB SER 106 -18.969 12.993 -10.904 804 HG SER 106 HG SER 106 -19.051 14.812 -8.886 805 H TYR 107 H TYR 107 -21.738 15.835 -10.460 806 HA TYR 107 HA TYR 107 -20.409 18.460 -10.386 807 HB2 TYR 107 2HB TYR 107 -22.770 19.433 -10.528 808 HB3 TYR 107 3HB TYR 107 -22.092 18.772 -12.011 809 HD1 TYR 107 HD2 TYR 107 -24.234 17.767 -9.122 810 HD2 TYR 107 HD1 TYR 107 -23.363 17.293 -13.260 811 HE1 TYR 107 HE2 TYR 107 -26.199 16.308 -9.362 812 HE2 TYR 107 HE1 TYR 107 -25.327 15.834 -13.512 813 HH TYR 107 HH TYR 107 -26.718 14.252 -11.473 Start of MODEL 8 1 HA PRO 1 HA PRO 1 1.397 0.413 -1.074 2 HB2 PRO 1 2HB PRO 1 3.565 0.455 -2.708 3 HB3 PRO 1 3HB PRO 1 3.217 1.736 -1.541 4 HG2 PRO 1 2HG PRO 1 5.115 -0.569 -1.314 5 HG3 PRO 1 3HG PRO 1 5.352 1.126 -0.849 6 HD2 PRO 1 2HD PRO 1 4.747 -0.807 0.948 7 HD3 PRO 1 3HD PRO 1 4.205 0.873 1.134 8 H ARG 2 H ARG 2 2.084 -2.532 -0.216 9 HA ARG 2 HA ARG 2 1.844 -3.678 -2.921 10 HB2 ARG 2 2HB ARG 2 2.921 -5.051 -0.454 11 HB3 ARG 2 3HB ARG 2 2.888 -5.699 -2.088 12 HG2 ARG 2 2HG ARG 2 5.035 -5.006 -2.061 13 HG3 ARG 2 3HG ARG 2 4.293 -3.482 -2.555 14 HD2 ARG 2 2HD ARG 2 5.607 -2.756 -0.826 15 HD3 ARG 2 3HD ARG 2 4.112 -3.107 0.040 16 HE ARG 2 HE ARG 2 5.488 -5.435 0.192 17 HH11 ARG 2 1HH1 ARG 2 6.266 -2.127 0.952 18 HH12 ARG 2 2HH1 ARG 2 7.367 -2.542 2.224 19 HH21 ARG 2 1HH2 ARG 2 6.936 -5.993 1.865 20 HH22 ARG 2 2HH2 ARG 2 7.748 -4.741 2.742 21 H LEU 3 H LEU 3 0.918 -6.105 -2.544 22 HA LEU 3 HA LEU 3 -1.658 -5.691 -1.187 23 HB2 LEU 3 2HB LEU 3 -0.829 -7.169 -3.631 24 HB3 LEU 3 3HB LEU 3 -2.192 -7.793 -2.703 25 HG LEU 3 HG LEU 3 -2.041 -4.999 -3.831 26 HD11 LEU 3 1HD1 LEU 3 -2.155 -7.094 -5.422 27 HD12 LEU 3 2HD1 LEU 3 -3.156 -5.671 -5.707 28 HD13 LEU 3 3HD1 LEU 3 -3.847 -7.093 -4.925 29 HD21 LEU 3 3HD2 LEU 3 -4.643 -6.164 -3.248 30 HD22 LEU 3 1HD2 LEU 3 -3.980 -4.590 -2.808 31 HD23 LEU 3 2HD2 LEU 3 -3.624 -6.004 -1.816 32 H PHE 4 H PHE 4 -2.678 -7.997 -0.679 33 HA PHE 4 HA PHE 4 -0.752 -9.881 0.376 34 HB2 PHE 4 2HB PHE 4 -2.593 -8.326 2.202 35 HB3 PHE 4 3HB PHE 4 -1.699 -9.764 2.683 36 HD1 PHE 4 HD1 PHE 4 0.784 -9.703 2.740 37 HD2 PHE 4 HD2 PHE 4 -1.559 -6.206 2.110 38 HE1 PHE 4 HE1 PHE 4 2.721 -8.303 3.326 39 HE2 PHE 4 HE2 PHE 4 0.374 -4.801 2.693 40 HZ PHE 4 HZ PHE 4 2.518 -5.849 3.301 41 H GLU 5 H GLU 5 -1.642 -11.525 -0.780 42 HA GLU 5 HA GLU 5 -4.513 -11.970 -0.713 43 HB2 GLU 5 2HB GLU 5 -2.234 -12.977 -2.312 44 HB3 GLU 5 3HB GLU 5 -3.553 -14.111 -2.051 45 HG2 GLU 5 2HG GLU 5 -5.008 -12.935 -3.329 46 HG3 GLU 5 3HG GLU 5 -4.278 -11.381 -2.929 47 H CYS 6 H CYS 6 -5.324 -12.929 1.030 48 HA CYS 6 HA CYS 6 -3.914 -15.279 2.105 49 HB2 CYS 6 2HB CYS 6 -5.580 -13.501 3.860 50 HB3 CYS 6 3HB CYS 6 -4.323 -14.643 4.319 51 HG CYS 6 HG CYS 6 -3.221 -12.119 2.420 52 H SER 7 H SER 7 -5.087 -16.993 1.558 53 HA SER 7 HA SER 7 -7.960 -16.960 2.142 54 HB2 SER 7 2HB SER 7 -7.257 -16.633 -0.395 55 HB3 SER 7 3HB SER 7 -7.062 -18.385 -0.326 56 HG SER 7 HG SER 7 -9.225 -18.527 0.377 57 H ASN 8 H ASN 8 -8.887 -19.071 2.451 58 HA ASN 8 HA ASN 8 -6.946 -20.940 3.566 59 HB2 ASN 8 2HB ASN 8 -9.004 -22.063 4.495 60 HB3 ASN 8 3HB ASN 8 -8.754 -20.408 5.042 61 HD21 ASN 8 1HD2 ASN 8 -10.602 -19.386 5.212 62 HD22 ASN 8 2HD2 ASN 8 -11.938 -19.499 4.123 63 H LYS 9 H LYS 9 -6.670 -23.022 2.885 64 HA LYS 9 HA LYS 9 -7.354 -23.610 0.175 65 HB2 LYS 9 2HB LYS 9 -5.857 -25.015 2.349 66 HB3 LYS 9 3HB LYS 9 -6.366 -25.933 0.938 67 HG2 LYS 9 2HG LYS 9 -5.205 -24.201 -0.470 68 HG3 LYS 9 3HG LYS 9 -4.528 -23.557 1.028 69 HD2 LYS 9 2HD LYS 9 -3.987 -26.227 1.257 70 HD3 LYS 9 3HD LYS 9 -3.819 -25.966 -0.481 71 HE2 LYS 9 2HE LYS 9 -2.553 -23.990 1.335 72 HE3 LYS 9 3HE LYS 9 -1.812 -25.586 1.228 73 HZ1 LYS 9 3HZ LYS 9 -0.770 -24.706 -0.530 74 HZ2 LYS 9 1HZ LYS 9 -1.895 -23.457 -0.724 75 HZ3 LYS 9 2HZ LYS 9 -2.218 -24.992 -1.356 76 H THR 10 H THR 10 -8.133 -25.273 3.236 77 HA THR 10 HA THR 10 -10.716 -26.043 2.071 78 HB THR 10 HB THR 10 -10.560 -28.297 2.860 79 HG1 THR 10 HG1 THR 10 -9.067 -28.949 4.264 80 HG21 THR 10 3HG2 THR 10 -8.852 -29.184 1.455 81 HG22 THR 10 1HG2 THR 10 -7.898 -27.707 1.574 82 HG23 THR 10 2HG2 THR 10 -9.424 -27.702 0.690 83 H GLY 11 H GLY 11 -8.814 -26.248 5.089 84 HA2 GLY 11 2HA GLY 11 -11.134 -25.108 6.504 85 HA3 GLY 11 3HA GLY 11 -10.355 -26.559 7.117 86 H ARG 12 H ARG 12 -7.989 -24.717 5.748 87 HA ARG 12 HA ARG 12 -7.429 -23.314 8.277 88 HB2 ARG 12 2HB ARG 12 -5.439 -24.714 6.481 89 HB3 ARG 12 3HB ARG 12 -5.035 -23.779 7.914 90 HG2 ARG 12 2HG ARG 12 -6.918 -26.083 8.136 91 HG3 ARG 12 3HG ARG 12 -5.179 -26.369 8.042 92 HD2 ARG 12 2HD ARG 12 -5.904 -24.266 9.928 93 HD3 ARG 12 3HD ARG 12 -6.607 -25.832 10.330 94 HE ARG 12 HE ARG 12 -4.016 -26.424 9.824 95 HH11 ARG 12 1HH1 ARG 12 -5.586 -24.102 11.888 96 HH12 ARG 12 2HH1 ARG 12 -4.322 -24.106 13.073 97 HH21 ARG 12 1HH2 ARG 12 -2.345 -26.438 11.376 98 HH22 ARG 12 2HH2 ARG 12 -2.478 -25.435 12.780 99 H PHE 13 H PHE 13 -6.789 -21.232 8.135 100 HA PHE 13 HA PHE 13 -6.952 -19.960 5.541 101 HB2 PHE 13 2HB PHE 13 -8.033 -18.644 7.099 102 HB3 PHE 13 3HB PHE 13 -6.883 -19.027 8.376 103 HD1 PHE 13 HD1 PHE 13 -4.764 -17.836 8.541 104 HD2 PHE 13 HD2 PHE 13 -7.644 -16.840 5.569 105 HE1 PHE 13 HE1 PHE 13 -3.607 -15.702 8.139 106 HE2 PHE 13 HE2 PHE 13 -6.490 -14.705 5.161 107 HZ PHE 13 HZ PHE 13 -4.468 -14.134 6.447 108 H LEU 14 H LEU 14 -5.320 -18.958 4.446 109 HA LEU 14 HA LEU 14 -2.607 -19.261 5.556 110 HB2 LEU 14 2HB LEU 14 -3.722 -19.920 2.888 111 HB3 LEU 14 3HB LEU 14 -2.092 -19.251 2.941 112 HG LEU 14 HG LEU 14 -2.022 -21.673 2.851 113 HD11 LEU 14 1HD1 LEU 14 -0.331 -20.393 4.167 114 HD12 LEU 14 2HD1 LEU 14 -0.542 -22.066 4.681 115 HD13 LEU 14 3HD1 LEU 14 -1.263 -20.758 5.619 116 HD21 LEU 14 3HD2 LEU 14 -3.175 -23.087 4.215 117 HD22 LEU 14 1HD2 LEU 14 -4.307 -21.735 4.191 118 HD23 LEU 14 2HD2 LEU 14 -3.212 -21.944 5.558 119 H ALA 15 H ALA 15 -1.353 -17.495 5.595 120 HA ALA 15 HA ALA 15 -2.396 -15.061 4.305 121 HB1 ALA 15 1HB ALA 15 -1.596 -13.788 6.054 122 HB2 ALA 15 2HB ALA 15 -2.090 -15.266 6.881 123 HB3 ALA 15 3HB ALA 15 -0.388 -14.987 6.515 124 H THR 16 H THR 16 -1.312 -14.352 2.601 125 HA THR 16 HA THR 16 1.601 -14.678 2.514 126 HB THR 16 HB THR 16 -0.159 -15.253 0.126 127 HG1 THR 16 HG1 THR 16 -0.025 -17.346 0.629 128 HG21 THR 16 3HG2 THR 16 2.479 -16.366 0.026 129 HG22 THR 16 1HG2 THR 16 2.583 -14.640 0.367 130 HG23 THR 16 2HG2 THR 16 1.723 -15.206 -1.065 131 H GLU 17 H GLU 17 2.692 -12.984 1.637 132 HA GLU 17 HA GLU 17 1.121 -10.611 1.017 133 HB2 GLU 17 2HB GLU 17 2.849 -10.152 2.547 134 HB3 GLU 17 3HB GLU 17 4.023 -11.094 1.639 135 HG2 GLU 17 2HG GLU 17 4.054 -9.426 -0.113 136 HG3 GLU 17 3HG GLU 17 2.808 -8.498 0.721 137 H ILE 18 H ILE 18 1.294 -9.435 -0.889 138 HA ILE 18 HA ILE 18 2.688 -10.774 -3.111 139 HB ILE 18 HB ILE 18 -0.029 -9.465 -3.274 140 HG12 ILE 18 2HG1 ILE 18 -0.081 -11.643 -2.117 141 HG13 ILE 18 3HG1 ILE 18 -0.887 -11.717 -3.680 142 HG21 ILE 18 1HG2 ILE 18 1.939 -10.024 -5.260 143 HG22 ILE 18 2HG2 ILE 18 0.539 -11.060 -5.531 144 HG23 ILE 18 3HG2 ILE 18 0.339 -9.310 -5.456 145 HD11 ILE 18 3HD1 ILE 18 1.287 -13.278 -2.687 146 HD12 ILE 18 1HD1 ILE 18 0.367 -13.464 -4.180 147 HD13 ILE 18 2HD1 ILE 18 1.787 -12.418 -4.143 148 H VAL 19 H VAL 19 4.223 -9.485 -3.864 149 HA VAL 19 HA VAL 19 4.707 -6.869 -3.249 150 HB VAL 19 HB VAL 19 5.325 -8.108 -5.933 151 HG11 VAL 19 1HG1 VAL 19 5.897 -5.883 -6.155 152 HG12 VAL 19 2HG1 VAL 19 6.333 -5.716 -4.453 153 HG13 VAL 19 3HG1 VAL 19 7.402 -6.581 -5.557 154 HG21 VAL 19 3HG2 VAL 19 6.365 -9.650 -4.649 155 HG22 VAL 19 1HG2 VAL 19 7.597 -8.395 -4.518 156 HG23 VAL 19 2HG2 VAL 19 6.407 -8.600 -3.233 157 H ASP 20 H ASP 20 4.359 -4.866 -4.261 158 HA ASP 20 HA ASP 20 1.834 -4.194 -5.004 159 HB2 ASP 20 2HB ASP 20 3.510 -2.511 -4.500 160 HB3 ASP 20 3HB ASP 20 4.406 -2.922 -5.960 161 H PHE 21 H PHE 21 0.782 -5.518 -6.423 162 HA PHE 21 HA PHE 21 1.882 -5.703 -9.148 163 HB2 PHE 21 2HB PHE 21 0.275 -7.562 -7.472 164 HB3 PHE 21 3HB PHE 21 -0.051 -7.552 -9.202 165 HD1 PHE 21 HD2 PHE 21 3.263 -6.899 -7.755 166 HD2 PHE 21 HD1 PHE 21 0.732 -9.758 -9.634 167 HE1 PHE 21 HE2 PHE 21 5.202 -8.368 -8.123 168 HE2 PHE 21 HE1 PHE 21 2.667 -11.233 -10.005 169 HZ PHE 21 HZ PHE 21 4.906 -10.537 -9.250 170 H THR 22 H THR 22 -0.030 -6.063 -10.790 171 HA THR 22 HA THR 22 -1.752 -3.720 -10.500 172 HB THR 22 HB THR 22 -2.075 -3.775 -12.854 173 HG1 THR 22 HG1 THR 22 -1.085 -6.419 -12.638 174 HG21 THR 22 3HG2 THR 22 0.093 -2.907 -12.238 175 HG22 THR 22 1HG2 THR 22 0.249 -3.828 -13.733 176 HG23 THR 22 2HG2 THR 22 0.775 -4.533 -12.204 177 H GLN 23 H GLN 23 -3.903 -4.155 -11.945 178 HA GLN 23 HA GLN 23 -5.492 -5.867 -10.325 179 HB2 GLN 23 2HB GLN 23 -6.153 -4.467 -12.921 180 HB3 GLN 23 3HB GLN 23 -7.326 -5.250 -11.871 181 HG2 GLN 23 2HG GLN 23 -5.572 -2.950 -11.042 182 HG3 GLN 23 3HG GLN 23 -7.227 -2.787 -11.626 183 HE21 GLN 23 1HE2 GLN 23 -8.922 -3.744 -10.376 184 HE22 GLN 23 2HE2 GLN 23 -8.729 -3.957 -8.673 185 H ASP 24 H ASP 24 -3.678 -6.345 -13.186 186 HA ASP 24 HA ASP 24 -5.095 -8.369 -14.471 187 HB2 ASP 24 2HB ASP 24 -2.115 -7.919 -14.242 188 HB3 ASP 24 3HB ASP 24 -2.845 -9.102 -15.323 189 H ASP 25 H ASP 25 -2.650 -8.618 -11.904 190 HA ASP 25 HA ASP 25 -2.948 -11.473 -11.701 191 HB2 ASP 25 2HB ASP 25 -1.311 -9.383 -10.359 192 HB3 ASP 25 3HB ASP 25 -1.602 -10.873 -9.465 193 H LEU 26 H LEU 26 -4.741 -8.864 -10.626 194 HA LEU 26 HA LEU 26 -5.513 -9.640 -8.043 195 HB2 LEU 26 2HB LEU 26 -5.971 -7.466 -9.410 196 HB3 LEU 26 3HB LEU 26 -7.425 -8.321 -9.923 197 HG LEU 26 HG LEU 26 -7.831 -6.773 -8.051 198 HD11 LEU 26 1HD1 LEU 26 -9.055 -8.343 -6.641 199 HD12 LEU 26 2HD1 LEU 26 -8.158 -9.687 -7.347 200 HD13 LEU 26 3HD1 LEU 26 -9.251 -8.733 -8.350 201 HD21 LEU 26 3HD2 LEU 26 -5.569 -7.078 -7.020 202 HD22 LEU 26 1HD2 LEU 26 -6.126 -8.635 -6.407 203 HD23 LEU 26 2HD2 LEU 26 -6.916 -7.148 -5.882 204 H ASP 27 H ASP 27 -6.114 -11.706 -7.700 205 HA ASP 27 HA ASP 27 -7.433 -13.425 -9.403 206 HB2 ASP 27 2HB ASP 27 -7.144 -13.253 -6.443 207 HB3 ASP 27 3HB ASP 27 -8.343 -14.373 -7.084 208 H GLU 28 H GLU 28 -9.688 -14.346 -9.013 209 HA GLU 28 HA GLU 28 -11.587 -12.327 -9.572 210 HB2 GLU 28 2HB GLU 28 -12.144 -15.182 -8.757 211 HB3 GLU 28 3HB GLU 28 -13.218 -14.108 -9.643 212 HG2 GLU 28 2HG GLU 28 -11.125 -14.064 -11.297 213 HG3 GLU 28 3HG GLU 28 -10.883 -15.655 -10.578 214 H ASN 29 H ASN 29 -11.611 -14.656 -6.869 215 HA ASN 29 HA ASN 29 -12.728 -12.525 -5.170 216 HB2 ASN 29 2HB ASN 29 -13.518 -15.447 -5.203 217 HB3 ASN 29 3HB ASN 29 -14.086 -14.262 -4.030 218 HD21 ASN 29 1HD2 ASN 29 -14.037 -15.059 -7.457 219 HD22 ASN 29 2HD2 ASN 29 -15.515 -14.256 -7.851 220 H ASP 30 H ASP 30 -10.964 -12.007 -3.988 221 HA ASP 30 HA ASP 30 -9.973 -14.029 -2.145 222 HB2 ASP 30 2HB ASP 30 -8.341 -12.771 -4.291 223 HB3 ASP 30 3HB ASP 30 -7.588 -12.957 -2.710 224 H VAL 31 H VAL 31 -8.484 -13.007 -0.489 225 HA VAL 31 HA VAL 31 -9.600 -10.396 0.248 226 HB VAL 31 HB VAL 31 -8.063 -12.343 1.973 227 HG11 VAL 31 1HG1 VAL 31 -9.605 -9.838 2.629 228 HG12 VAL 31 2HG1 VAL 31 -9.009 -10.986 3.829 229 HG13 VAL 31 3HG1 VAL 31 -7.871 -10.101 2.811 230 HG21 VAL 31 3HG2 VAL 31 -10.774 -12.088 2.766 231 HG22 VAL 31 1HG2 VAL 31 -10.745 -12.452 1.040 232 HG23 VAL 31 2HG2 VAL 31 -9.932 -13.523 2.181 233 H TYR 32 H TYR 32 -8.392 -8.760 -0.478 234 HA TYR 32 HA TYR 32 -5.464 -8.981 -0.278 235 HB2 TYR 32 2HB TYR 32 -6.748 -6.804 -1.857 236 HB3 TYR 32 3HB TYR 32 -5.243 -7.667 -2.152 237 HD1 TYR 32 HD1 TYR 32 -8.900 -7.788 -2.532 238 HD2 TYR 32 HD2 TYR 32 -5.208 -9.698 -3.436 239 HE1 TYR 32 HE1 TYR 32 -10.044 -9.200 -4.189 240 HE2 TYR 32 HE2 TYR 32 -6.341 -11.114 -5.098 241 HH TYR 32 HH TYR 32 -8.247 -11.560 -6.143 242 H LEU 33 H LEU 33 -4.292 -7.007 0.301 243 HA LEU 33 HA LEU 33 -5.841 -5.141 1.955 244 HB2 LEU 33 2HB LEU 33 -3.382 -6.669 2.775 245 HB3 LEU 33 3HB LEU 33 -3.948 -5.230 3.622 246 HG LEU 33 HG LEU 33 -4.697 -7.081 4.879 247 HD11 LEU 33 1HD1 LEU 33 -6.431 -5.240 3.867 248 HD12 LEU 33 2HD1 LEU 33 -6.813 -6.398 5.140 249 HD13 LEU 33 3HD1 LEU 33 -7.239 -6.756 3.467 250 HD21 LEU 33 3HD2 LEU 33 -4.565 -8.492 2.540 251 HD22 LEU 33 1HD2 LEU 33 -6.303 -8.404 2.828 252 HD23 LEU 33 2HD2 LEU 33 -5.239 -9.090 4.057 253 H LEU 34 H LEU 34 -5.527 -3.210 1.072 254 HA LEU 34 HA LEU 34 -2.855 -2.553 0.025 255 HB2 LEU 34 2HB LEU 34 -4.549 -2.469 -1.681 256 HB3 LEU 34 3HB LEU 34 -5.568 -1.444 -0.673 257 HG LEU 34 HG LEU 34 -3.639 0.258 -0.826 258 HD11 LEU 34 1HD1 LEU 34 -2.818 -0.449 -3.419 259 HD12 LEU 34 2HD1 LEU 34 -2.589 -1.879 -2.412 260 HD13 LEU 34 3HD1 LEU 34 -1.834 -0.351 -1.958 261 HD21 LEU 34 3HD2 LEU 34 -5.961 -0.042 -2.186 262 HD22 LEU 34 1HD2 LEU 34 -4.800 -0.013 -3.513 263 HD23 LEU 34 2HD2 LEU 34 -4.869 1.331 -2.373 264 H ASP 35 H ASP 35 -1.690 -1.229 1.235 265 HA ASP 35 HA ASP 35 -3.051 0.504 3.171 266 HB2 ASP 35 2HB ASP 35 -0.088 -0.025 3.066 267 HB3 ASP 35 3HB ASP 35 -1.053 0.529 4.431 268 H THR 36 H THR 36 -3.440 2.494 2.469 269 HA THR 36 HA THR 36 -1.511 3.761 0.645 270 HB THR 36 HB THR 36 -3.201 4.952 -0.333 271 HG1 THR 36 HG1 THR 36 -5.186 5.441 0.833 272 HG21 THR 36 3HG2 THR 36 -3.724 2.564 -0.614 273 HG22 THR 36 1HG2 THR 36 -5.180 3.558 -0.618 274 HG23 THR 36 2HG2 THR 36 -4.750 2.629 0.819 275 H TRP 37 H TRP 37 -1.472 6.233 0.894 276 HA TRP 37 HA TRP 37 -0.465 6.832 3.475 277 HB2 TRP 37 2HB TRP 37 0.419 7.922 1.476 278 HB3 TRP 37 3HB TRP 37 -1.146 8.672 1.171 279 HD1 TRP 37 HD1 TRP 37 -1.976 10.336 3.363 280 HE1 TRP 37 HE1 TRP 37 -0.528 12.073 4.593 281 HE3 TRP 37 HE3 TRP 37 2.654 8.565 2.113 282 HZ2 TRP 37 HZ2 TRP 37 2.213 12.620 4.981 283 HZ3 TRP 37 HZ3 TRP 37 4.638 9.754 2.954 284 HH2 TRP 37 HH2 TRP 37 4.420 11.739 4.358 285 H ASP 38 H ASP 38 -3.524 7.448 1.866 286 HA ASP 38 HA ASP 38 -4.509 9.199 3.921 287 HB2 ASP 38 2HB ASP 38 -5.776 7.861 1.537 288 HB3 ASP 38 3HB ASP 38 -6.727 8.785 2.696 289 H GLN 39 H GLN 39 -5.126 5.833 2.962 290 HA GLN 39 HA GLN 39 -5.467 4.917 5.593 291 HB2 GLN 39 2HB GLN 39 -7.583 6.325 5.231 292 HB3 GLN 39 3HB GLN 39 -8.092 5.055 4.126 293 HG2 GLN 39 2HG GLN 39 -9.010 4.856 6.426 294 HG3 GLN 39 3HG GLN 39 -8.121 3.439 5.868 295 HE21 GLN 39 1HE2 GLN 39 -7.708 2.729 7.949 296 HE22 GLN 39 2HE2 GLN 39 -6.576 3.515 8.989 297 H ILE 40 H ILE 40 -6.326 2.655 5.654 298 HA ILE 40 HA ILE 40 -5.254 1.193 3.408 299 HB ILE 40 HB ILE 40 -6.657 -0.111 5.711 300 HG12 ILE 40 2HG1 ILE 40 -5.251 1.538 6.782 301 HG13 ILE 40 3HG1 ILE 40 -4.495 -0.043 6.954 302 HG21 ILE 40 1HG2 ILE 40 -4.962 -1.834 5.353 303 HG22 ILE 40 2HG2 ILE 40 -5.861 -1.501 3.873 304 HG23 ILE 40 3HG2 ILE 40 -4.233 -0.856 4.080 305 HD11 ILE 40 3HD1 ILE 40 -2.949 0.477 5.166 306 HD12 ILE 40 1HD1 ILE 40 -3.734 2.036 4.917 307 HD13 ILE 40 2HD1 ILE 40 -2.878 1.710 6.425 308 H PHE 41 H PHE 41 -6.356 0.182 1.841 309 HA PHE 41 HA PHE 41 -9.280 0.389 1.892 310 HB2 PHE 41 2HB PHE 41 -7.227 0.340 -0.259 311 HB3 PHE 41 3HB PHE 41 -8.795 -0.371 -0.627 312 HD1 PHE 41 HD2 PHE 41 -7.498 2.694 1.069 313 HD2 PHE 41 HD1 PHE 41 -10.281 1.011 -1.676 314 HE1 PHE 41 HE2 PHE 41 -8.404 4.936 0.618 315 HE2 PHE 41 HE1 PHE 41 -11.191 3.251 -2.132 316 HZ PHE 41 HZ PHE 41 -10.253 5.217 -0.983 317 H PHE 42 H PHE 42 -10.276 -1.360 2.639 318 HA PHE 42 HA PHE 42 -9.070 -3.991 2.307 319 HB2 PHE 42 2HB PHE 42 -11.245 -2.856 4.011 320 HB3 PHE 42 3HB PHE 42 -11.260 -4.583 3.671 321 HD1 PHE 42 HD2 PHE 42 -8.155 -2.658 3.971 322 HD2 PHE 42 HD1 PHE 42 -10.898 -5.248 5.942 323 HE1 PHE 42 HE2 PHE 42 -6.514 -3.022 5.768 324 HE2 PHE 42 HE1 PHE 42 -9.262 -5.615 7.743 325 HZ PHE 42 HZ PHE 42 -7.066 -4.503 7.657 326 H TRP 43 H TRP 43 -9.431 -4.909 0.388 327 HA TRP 43 HA TRP 43 -12.043 -4.580 -0.895 328 HB2 TRP 43 2HB TRP 43 -9.300 -5.184 -1.843 329 HB3 TRP 43 3HB TRP 43 -10.614 -5.977 -2.709 330 HD1 TRP 43 HD1 TRP 43 -10.517 -2.347 -1.345 331 HE1 TRP 43 HE1 TRP 43 -10.959 -0.750 -3.315 332 HE3 TRP 43 HE3 TRP 43 -10.734 -5.773 -5.133 333 HZ2 TRP 43 HZ2 TRP 43 -11.350 -0.921 -6.105 334 HZ3 TRP 43 HZ3 TRP 43 -11.147 -4.974 -7.424 335 HH2 TRP 43 HH2 TRP 43 -11.449 -2.598 -7.897 336 H ILE 44 H ILE 44 -13.491 -6.035 -0.233 337 HA ILE 44 HA ILE 44 -12.624 -8.838 0.042 338 HB ILE 44 HB ILE 44 -14.945 -7.437 1.372 339 HG12 ILE 44 2HG1 ILE 44 -12.805 -6.863 2.380 340 HG13 ILE 44 3HG1 ILE 44 -13.700 -7.932 3.454 341 HG21 ILE 44 1HG2 ILE 44 -14.191 -10.307 1.141 342 HG22 ILE 44 2HG2 ILE 44 -14.897 -9.735 2.652 343 HG23 ILE 44 3HG2 ILE 44 -15.786 -9.555 1.139 344 HD11 ILE 44 3HD1 ILE 44 -11.606 -8.836 3.567 345 HD12 ILE 44 1HD1 ILE 44 -12.308 -9.794 2.263 346 HD13 ILE 44 2HD1 ILE 44 -11.228 -8.451 1.888 347 H GLY 45 H GLY 45 -13.201 -10.044 -1.637 348 HA2 GLY 45 2HA GLY 45 -15.283 -9.247 -3.446 349 HA3 GLY 45 3HA GLY 45 -14.329 -10.720 -3.536 350 H LYS 46 H LYS 46 -16.398 -11.684 -4.167 351 HA LYS 46 HA LYS 46 -18.333 -12.015 -2.007 352 HB2 LYS 46 2HB LYS 46 -18.343 -12.466 -4.949 353 HB3 LYS 46 3HB LYS 46 -19.398 -13.477 -3.970 354 HG2 LYS 46 2HG LYS 46 -19.643 -10.724 -3.185 355 HG3 LYS 46 3HG LYS 46 -19.906 -10.902 -4.921 356 HD2 LYS 46 2HD LYS 46 -21.288 -12.527 -2.786 357 HD3 LYS 46 3HD LYS 46 -21.986 -11.125 -3.602 358 HE2 LYS 46 2HE LYS 46 -21.359 -12.497 -5.761 359 HE3 LYS 46 3HE LYS 46 -21.432 -13.861 -4.646 360 HZ1 LYS 46 3HZ LYS 46 -23.693 -12.674 -4.018 361 HZ2 LYS 46 1HZ LYS 46 -23.589 -13.795 -5.281 362 HZ3 LYS 46 2HZ LYS 46 -23.576 -12.138 -5.618 363 H GLY 47 H GLY 47 -15.930 -13.815 -3.811 364 HA2 GLY 47 2HA GLY 47 -16.712 -16.380 -2.773 365 HA3 GLY 47 3HA GLY 47 -15.244 -16.019 -3.670 366 H ALA 48 H ALA 48 -14.440 -13.884 -1.834 367 HA ALA 48 HA ALA 48 -12.734 -15.245 -0.163 368 HB1 ALA 48 1HB ALA 48 -12.627 -13.102 1.160 369 HB2 ALA 48 2HB ALA 48 -12.335 -12.948 -0.573 370 HB3 ALA 48 3HB ALA 48 -13.896 -12.483 0.102 371 H ASN 49 H ASN 49 -12.986 -16.429 1.609 372 HA ASN 49 HA ASN 49 -15.498 -16.898 2.790 373 HB2 ASN 49 2HB ASN 49 -12.691 -17.692 3.360 374 HB3 ASN 49 3HB ASN 49 -13.846 -17.846 4.680 375 HD21 ASN 49 1HD2 ASN 49 -14.295 -19.929 4.825 376 HD22 ASN 49 2HD2 ASN 49 -14.784 -20.948 3.518 377 H GLU 50 H GLU 50 -15.927 -16.649 5.171 378 HA GLU 50 HA GLU 50 -15.774 -13.882 5.856 379 HB2 GLU 50 2HB GLU 50 -16.874 -16.312 7.249 380 HB3 GLU 50 3HB GLU 50 -16.848 -14.738 8.030 381 HG2 GLU 50 2HG GLU 50 -17.973 -14.178 5.595 382 HG3 GLU 50 3HG GLU 50 -18.617 -15.777 5.966 383 H SER 51 H SER 51 -14.059 -16.775 6.812 384 HA SER 51 HA SER 51 -12.782 -15.612 9.091 385 HB2 SER 51 2HB SER 51 -12.437 -18.148 7.529 386 HB3 SER 51 3HB SER 51 -11.201 -17.666 8.691 387 HG SER 51 HG SER 51 -12.584 -17.946 10.313 388 H GLU 52 H GLU 52 -11.808 -16.243 5.741 389 HA GLU 52 HA GLU 52 -9.157 -15.483 5.858 390 HB2 GLU 52 2HB GLU 52 -11.087 -14.933 3.597 391 HB3 GLU 52 3HB GLU 52 -9.334 -14.969 3.471 392 HG2 GLU 52 2HG GLU 52 -9.283 -17.313 3.941 393 HG3 GLU 52 3HG GLU 52 -11.008 -17.325 4.302 394 H LYS 53 H LYS 53 -11.987 -13.417 5.260 395 HA LYS 53 HA LYS 53 -10.582 -11.000 4.985 396 HB2 LYS 53 2HB LYS 53 -12.775 -10.892 4.232 397 HB3 LYS 53 3HB LYS 53 -13.410 -11.723 5.646 398 HG2 LYS 53 2HG LYS 53 -12.164 -9.070 6.074 399 HG3 LYS 53 3HG LYS 53 -13.728 -9.119 5.257 400 HD2 LYS 53 2HD LYS 53 -13.796 -10.879 7.505 401 HD3 LYS 53 3HD LYS 53 -13.194 -9.304 8.027 402 HE2 LYS 53 2HE LYS 53 -15.133 -8.214 7.063 403 HE3 LYS 53 3HE LYS 53 -15.716 -9.754 6.434 404 HZ1 LYS 53 3HZ LYS 53 -16.920 -9.537 8.358 405 HZ2 LYS 53 1HZ LYS 53 -15.667 -8.782 9.208 406 HZ3 LYS 53 2HZ LYS 53 -15.607 -10.446 8.915 407 H GLU 54 H GLU 54 -11.605 -12.797 7.790 408 HA GLU 54 HA GLU 54 -11.223 -10.642 9.647 409 HB2 GLU 54 2HB GLU 54 -11.437 -13.619 10.132 410 HB3 GLU 54 3HB GLU 54 -11.505 -12.375 11.373 411 HG2 GLU 54 2HG GLU 54 -13.429 -11.889 9.273 412 HG3 GLU 54 3HG GLU 54 -13.640 -13.481 10.000 413 H ALA 55 H ALA 55 -9.455 -13.680 9.037 414 HA ALA 55 HA ALA 55 -7.276 -13.094 10.709 415 HB1 ALA 55 1HB ALA 55 -6.307 -15.021 9.910 416 HB2 ALA 55 2HB ALA 55 -8.010 -15.320 9.557 417 HB3 ALA 55 3HB ALA 55 -6.924 -14.783 8.275 418 H ALA 56 H ALA 56 -7.641 -12.727 7.186 419 HA ALA 56 HA ALA 56 -5.101 -11.667 6.678 420 HB1 ALA 56 1HB ALA 56 -5.851 -11.211 4.543 421 HB2 ALA 56 2HB ALA 56 -6.954 -12.489 5.052 422 HB3 ALA 56 3HB ALA 56 -7.479 -10.805 5.087 423 H ALA 57 H ALA 57 -7.953 -10.220 8.015 424 HA ALA 57 HA ALA 57 -7.224 -7.502 7.516 425 HB1 ALA 57 1HB ALA 57 -8.943 -7.245 9.533 426 HB2 ALA 57 2HB ALA 57 -9.462 -7.594 7.884 427 HB3 ALA 57 3HB ALA 57 -9.329 -8.900 9.062 428 H GLU 58 H GLU 58 -6.957 -9.673 10.312 429 HA GLU 58 HA GLU 58 -5.738 -7.710 11.991 430 HB2 GLU 58 2HB GLU 58 -6.060 -10.697 12.183 431 HB3 GLU 58 3HB GLU 58 -5.148 -9.788 13.379 432 HG2 GLU 58 2HG GLU 58 -7.645 -8.494 12.998 433 HG3 GLU 58 3HG GLU 58 -7.939 -10.216 13.235 434 H THR 59 H THR 59 -4.542 -10.378 10.004 435 HA THR 59 HA THR 59 -1.867 -10.345 10.773 436 HB THR 59 HB THR 59 -3.018 -10.958 8.044 437 HG1 THR 59 HG1 THR 59 -3.831 -12.388 9.542 438 HG21 THR 59 3HG2 THR 59 -0.719 -12.468 8.435 439 HG22 THR 59 1HG2 THR 59 -0.284 -10.858 9.008 440 HG23 THR 59 2HG2 THR 59 -0.891 -11.076 7.367 441 H ALA 60 H ALA 60 -3.620 -8.265 8.560 442 HA ALA 60 HA ALA 60 -1.347 -7.030 7.386 443 HB1 ALA 60 1HB ALA 60 -3.215 -5.167 7.017 444 HB2 ALA 60 2HB ALA 60 -3.156 -6.653 6.068 445 HB3 ALA 60 3HB ALA 60 -4.264 -6.522 7.434 446 H GLN 61 H GLN 61 -3.406 -6.229 10.148 447 HA GLN 61 HA GLN 61 -2.501 -3.691 10.737 448 HB2 GLN 61 2HB GLN 61 -3.590 -5.935 12.365 449 HB3 GLN 61 3HB GLN 61 -2.867 -4.579 13.220 450 HG2 GLN 61 2HG GLN 61 -4.438 -3.219 11.555 451 HG3 GLN 61 3HG GLN 61 -5.360 -4.719 11.641 452 HE21 GLN 61 1HE2 GLN 61 -5.549 -5.561 13.980 453 HE22 GLN 61 2HE2 GLN 61 -6.014 -4.382 15.153 454 H GLU 62 H GLU 62 -0.931 -6.768 11.270 455 HA GLU 62 HA GLU 62 1.019 -6.012 13.115 456 HB2 GLU 62 2HB GLU 62 0.995 -8.086 10.933 457 HB3 GLU 62 3HB GLU 62 2.386 -7.870 11.986 458 HG2 GLU 62 2HG GLU 62 0.238 -8.028 13.726 459 HG3 GLU 62 3HG GLU 62 -0.119 -9.222 12.480 460 H TYR 63 H TYR 63 0.954 -5.719 9.599 461 HA TYR 63 HA TYR 63 3.635 -4.767 9.374 462 HB2 TYR 63 2HB TYR 63 2.660 -5.804 7.452 463 HB3 TYR 63 3HB TYR 63 1.282 -4.710 7.483 464 HD1 TYR 63 HD1 TYR 63 1.529 -2.379 6.740 465 HD2 TYR 63 HD2 TYR 63 4.753 -5.143 6.471 466 HE1 TYR 63 HE1 TYR 63 2.691 -0.864 5.188 467 HE2 TYR 63 HE2 TYR 63 5.924 -3.636 4.920 468 HH TYR 63 HH TYR 63 5.684 -0.802 4.574 469 H LEU 64 H LEU 64 0.460 -3.236 9.572 470 HA LEU 64 HA LEU 64 1.136 -0.617 8.984 471 HB2 LEU 64 2HB LEU 64 -0.933 -1.870 10.731 472 HB3 LEU 64 3HB LEU 64 -0.731 -0.119 10.750 473 HG LEU 64 HG LEU 64 -2.548 -1.046 9.245 474 HD11 LEU 64 1HD1 LEU 64 -1.385 0.401 7.243 475 HD12 LEU 64 2HD1 LEU 64 -0.508 0.965 8.666 476 HD13 LEU 64 3HD1 LEU 64 -2.267 1.080 8.612 477 HD21 LEU 64 3HD2 LEU 64 -0.128 -1.915 7.670 478 HD22 LEU 64 1HD2 LEU 64 -1.763 -1.809 7.016 479 HD23 LEU 64 2HD2 LEU 64 -1.406 -2.944 8.318 480 H ARG 65 H ARG 65 1.391 -2.349 12.059 481 HA ARG 65 HA ARG 65 2.177 -0.155 13.635 482 HB2 ARG 65 2HB ARG 65 2.912 -3.063 14.016 483 HB3 ARG 65 3HB ARG 65 2.948 -1.809 15.247 484 HG2 ARG 65 2HG ARG 65 0.373 -1.645 14.410 485 HG3 ARG 65 3HG ARG 65 0.699 -3.368 14.207 486 HD2 ARG 65 2HD ARG 65 1.798 -2.912 16.644 487 HD3 ARG 65 3HD ARG 65 0.468 -1.756 16.655 488 HE ARG 65 HE ARG 65 -0.680 -4.067 15.800 489 HH11 ARG 65 1HH1 ARG 65 1.232 -3.179 18.570 490 HH12 ARG 65 2HH1 ARG 65 0.494 -4.345 19.617 491 HH21 ARG 65 1HH2 ARG 65 -1.660 -5.606 17.168 492 HH22 ARG 65 2HH2 ARG 65 -1.151 -5.726 18.818 493 H SER 66 H SER 66 3.915 -2.178 11.412 494 HA SER 66 HA SER 66 6.535 -1.784 12.298 495 HB2 SER 66 2HB SER 66 7.200 -2.734 10.303 496 HB3 SER 66 3HB SER 66 5.518 -3.262 10.347 497 HG SER 66 HG SER 66 6.737 -1.729 8.532 498 H HIS 67 H HIS 67 4.351 0.337 10.647 499 HA HIS 67 HA HIS 67 6.507 2.263 10.136 500 HB2 HIS 67 2HB HIS 67 3.812 1.799 8.959 501 HB3 HIS 67 3HB HIS 67 4.404 3.458 9.004 502 HD1 HIS 67 HD1 HIS 67 7.027 0.926 8.536 503 HD2 HIS 67 HD2 HIS 67 4.533 3.223 6.136 504 HE1 HIS 67 HE1 HIS 67 8.016 0.803 6.227 505 HA PRO 68 HA PRO 68 5.306 4.978 13.365 506 HB2 PRO 68 2HB PRO 68 5.589 7.420 12.213 507 HB3 PRO 68 3HB PRO 68 6.964 6.402 12.656 508 HG2 PRO 68 2HG PRO 68 5.674 6.783 9.982 509 HG3 PRO 68 3HG PRO 68 7.398 6.705 10.392 510 HD2 PRO 68 2HD PRO 68 6.051 4.598 9.353 511 HD3 PRO 68 3HD PRO 68 7.399 4.402 10.491 512 H GLY 69 H GLY 69 4.067 7.421 13.317 513 HA2 GLY 69 2HA GLY 69 2.042 8.411 12.259 514 HA3 GLY 69 3HA GLY 69 1.403 6.775 12.210 515 H SER 70 H SER 70 -0.009 8.837 13.389 516 HA SER 70 HA SER 70 0.330 8.405 16.275 517 HB2 SER 70 2HB SER 70 -1.153 10.537 14.726 518 HB3 SER 70 3HB SER 70 -1.259 10.359 16.477 519 HG SER 70 HG SER 70 0.905 10.823 16.645 520 H ARG 71 H ARG 71 -2.534 9.129 14.297 521 HA ARG 71 HA ARG 71 -3.945 6.970 15.708 522 HB2 ARG 71 2HB ARG 71 -4.798 9.591 14.563 523 HB3 ARG 71 3HB ARG 71 -5.968 8.279 14.606 524 HG2 ARG 71 2HG ARG 71 -5.948 8.180 16.939 525 HG3 ARG 71 3HG ARG 71 -4.440 9.089 17.052 526 HD2 ARG 71 2HD ARG 71 -6.762 10.415 15.765 527 HD3 ARG 71 3HD ARG 71 -6.807 10.202 17.514 528 HE ARG 71 HE ARG 71 -4.327 11.280 16.879 529 HH11 ARG 71 1HH1 ARG 71 -7.682 12.187 16.683 530 HH12 ARG 71 2HH1 ARG 71 -7.368 13.883 16.844 531 HH21 ARG 71 1HH2 ARG 71 -3.900 13.510 17.092 532 HH22 ARG 71 2HH2 ARG 71 -5.217 14.635 17.076 533 H ASP 72 H ASP 72 -2.185 6.781 13.273 534 HA ASP 72 HA ASP 72 -3.663 6.367 10.951 535 HB2 ASP 72 2HB ASP 72 -1.153 4.980 11.912 536 HB3 ASP 72 3HB ASP 72 -1.795 4.844 10.277 537 H LEU 73 H LEU 73 -3.457 4.473 13.827 538 HA LEU 73 HA LEU 73 -4.611 2.120 12.551 539 HB2 LEU 73 2HB LEU 73 -3.744 2.665 15.384 540 HB3 LEU 73 3HB LEU 73 -4.456 1.145 14.845 541 HG LEU 73 HG LEU 73 -2.151 1.906 13.248 542 HD11 LEU 73 1HD1 LEU 73 -0.811 2.654 14.859 543 HD12 LEU 73 2HD1 LEU 73 -0.843 1.016 15.512 544 HD13 LEU 73 3HD1 LEU 73 -1.966 2.231 16.124 545 HD21 LEU 73 3HD2 LEU 73 -3.141 -0.304 13.202 546 HD22 LEU 73 1HD2 LEU 73 -2.843 -0.501 14.929 547 HD23 LEU 73 2HD2 LEU 73 -1.486 -0.398 13.806 548 H ASP 74 H ASP 74 -5.515 4.790 14.597 549 HA ASP 74 HA ASP 74 -8.022 3.702 15.435 550 HB2 ASP 74 2HB ASP 74 -6.870 6.490 15.469 551 HB3 ASP 74 3HB ASP 74 -8.494 6.131 16.051 552 H THR 75 H THR 75 -6.890 5.323 12.616 553 HA THR 75 HA THR 75 -9.303 6.455 11.703 554 HB THR 75 HB THR 75 -7.337 5.383 9.731 555 HG1 THR 75 HG1 THR 75 -6.001 7.257 10.253 556 HG21 THR 75 3HG2 THR 75 -9.228 6.716 8.962 557 HG22 THR 75 1HG2 THR 75 -7.716 7.582 8.696 558 HG23 THR 75 2HG2 THR 75 -8.762 8.028 10.044 559 HA PRO 76 HA PRO 76 -11.571 2.806 10.640 560 HB2 PRO 76 2HB PRO 76 -13.514 4.022 9.185 561 HB3 PRO 76 3HB PRO 76 -13.455 4.084 10.951 562 HG2 PRO 76 2HG PRO 76 -12.560 6.125 8.953 563 HG3 PRO 76 3HG PRO 76 -13.456 6.358 10.466 564 HD2 PRO 76 2HD PRO 76 -10.794 6.813 10.265 565 HD3 PRO 76 3HD PRO 76 -11.553 6.229 11.760 566 H ILE 77 H ILE 77 -11.862 1.440 8.888 567 HA ILE 77 HA ILE 77 -10.398 2.203 6.466 568 HB ILE 77 HB ILE 77 -11.119 -0.454 7.666 569 HG12 ILE 77 2HG1 ILE 77 -8.446 -0.083 6.585 570 HG13 ILE 77 3HG1 ILE 77 -8.854 1.171 7.751 571 HG21 ILE 77 1HG2 ILE 77 -10.408 0.163 4.823 572 HG22 ILE 77 2HG2 ILE 77 -9.975 -1.383 5.551 573 HG23 ILE 77 3HG2 ILE 77 -11.668 -0.899 5.451 574 HD11 ILE 77 3HD1 ILE 77 -8.301 -0.244 9.353 575 HD12 ILE 77 1HD1 ILE 77 -9.695 -1.226 8.907 576 HD13 ILE 77 2HD1 ILE 77 -8.116 -1.560 8.195 577 H ILE 78 H ILE 78 -11.280 2.059 4.428 578 HA ILE 78 HA ILE 78 -14.169 2.214 4.306 579 HB ILE 78 HB ILE 78 -11.996 2.653 2.271 580 HG12 ILE 78 2HG1 ILE 78 -13.831 4.800 2.462 581 HG13 ILE 78 3HG1 ILE 78 -13.471 4.296 4.110 582 HG21 ILE 78 1HG2 ILE 78 -13.971 3.416 0.803 583 HG22 ILE 78 2HG2 ILE 78 -13.625 1.692 0.920 584 HG23 ILE 78 3HG2 ILE 78 -14.950 2.390 1.851 585 HD11 ILE 78 3HD1 ILE 78 -12.011 6.103 3.114 586 HD12 ILE 78 1HD1 ILE 78 -11.182 4.733 3.851 587 HD13 ILE 78 2HD1 ILE 78 -11.318 4.842 2.096 588 H VAL 79 H VAL 79 -15.123 0.256 4.453 589 HA VAL 79 HA VAL 79 -14.093 -2.144 3.382 590 HB VAL 79 HB VAL 79 -16.934 -1.448 4.137 591 HG11 VAL 79 1HG1 VAL 79 -16.917 -4.059 4.448 592 HG12 VAL 79 2HG1 VAL 79 -17.258 -3.335 2.876 593 HG13 VAL 79 3HG1 VAL 79 -15.652 -3.976 3.223 594 HG21 VAL 79 3HG2 VAL 79 -15.874 -1.306 6.147 595 HG22 VAL 79 1HG2 VAL 79 -16.116 -3.052 6.094 596 HG23 VAL 79 2HG2 VAL 79 -14.554 -2.365 5.652 597 H VAL 80 H VAL 80 -14.484 -3.222 1.495 598 HA VAL 80 HA VAL 80 -16.103 -1.822 -0.531 599 HB VAL 80 HB VAL 80 -13.571 -3.354 -1.121 600 HG11 VAL 80 1HG1 VAL 80 -13.776 -2.577 -3.328 601 HG12 VAL 80 2HG1 VAL 80 -15.400 -3.103 -2.879 602 HG13 VAL 80 3HG1 VAL 80 -14.998 -1.385 -2.884 603 HG21 VAL 80 3HG2 VAL 80 -12.579 -1.102 -1.554 604 HG22 VAL 80 1HG2 VAL 80 -14.003 -0.390 -0.794 605 HG23 VAL 80 2HG2 VAL 80 -12.928 -1.426 0.144 606 H LYS 81 H LYS 81 -17.429 -3.051 -1.780 607 HA LYS 81 HA LYS 81 -17.616 -5.894 -1.069 608 HB2 LYS 81 2HB LYS 81 -19.578 -3.817 -1.872 609 HB3 LYS 81 3HB LYS 81 -19.890 -5.454 -2.434 610 HG2 LYS 81 2HG LYS 81 -19.665 -6.206 -0.049 611 HG3 LYS 81 3HG LYS 81 -19.636 -4.501 0.406 612 HD2 LYS 81 2HD LYS 81 -21.874 -4.924 0.620 613 HD3 LYS 81 3HD LYS 81 -21.824 -4.434 -1.075 614 HE2 LYS 81 2HE LYS 81 -21.317 -7.097 -1.272 615 HE3 LYS 81 3HE LYS 81 -22.391 -7.055 0.125 616 HZ1 LYS 81 3HZ LYS 81 -24.138 -6.491 -1.135 617 HZ2 LYS 81 1HZ LYS 81 -23.222 -7.104 -2.419 618 HZ3 LYS 81 2HZ LYS 81 -23.246 -5.440 -2.117 619 H GLN 82 H GLN 82 -18.377 -7.357 -2.849 620 HA GLN 82 HA GLN 82 -16.603 -7.090 -5.090 621 HB2 GLN 82 2HB GLN 82 -17.219 -9.253 -3.881 622 HB3 GLN 82 3HB GLN 82 -18.743 -9.185 -4.756 623 HG2 GLN 82 2HG GLN 82 -17.364 -10.614 -5.997 624 HG3 GLN 82 3HG GLN 82 -17.372 -9.085 -6.875 625 HE21 GLN 82 1HE2 GLN 82 -15.454 -11.526 -5.966 626 HE22 GLN 82 2HE2 GLN 82 -13.931 -10.714 -5.881 627 H GLY 83 H GLY 83 -17.066 -5.895 -6.810 628 HA2 GLY 83 2HA GLY 83 -18.540 -5.888 -8.818 629 HA3 GLY 83 3HA GLY 83 -19.885 -5.768 -7.692 630 H PHE 84 H PHE 84 -17.156 -4.004 -6.721 631 HA PHE 84 HA PHE 84 -18.072 -1.557 -8.040 632 HB2 PHE 84 2HB PHE 84 -17.535 -1.594 -5.075 633 HB3 PHE 84 3HB PHE 84 -18.299 -0.327 -6.030 634 HD1 PHE 84 HD2 PHE 84 -20.600 -0.644 -6.880 635 HD2 PHE 84 HD1 PHE 84 -18.780 -3.410 -4.206 636 HE1 PHE 84 HE2 PHE 84 -22.813 -1.574 -6.342 637 HE2 PHE 84 HE1 PHE 84 -20.990 -4.346 -3.664 638 HZ PHE 84 HZ PHE 84 -23.010 -3.427 -4.731 639 H GLU 85 H GLU 85 -16.328 -0.859 -9.079 640 HA GLU 85 HA GLU 85 -13.742 -0.926 -7.666 641 HB2 GLU 85 2HB GLU 85 -13.663 -2.458 -9.525 642 HB3 GLU 85 3HB GLU 85 -14.318 -1.243 -10.614 643 HG2 GLU 85 2HG GLU 85 -12.337 -0.084 -10.735 644 HG3 GLU 85 3HG GLU 85 -11.755 -0.706 -9.192 645 HA PRO 86 HA PRO 86 -14.672 3.512 -8.240 646 HB2 PRO 86 2HB PRO 86 -13.256 4.297 -6.062 647 HB3 PRO 86 3HB PRO 86 -14.922 3.715 -5.966 648 HG2 PRO 86 2HG PRO 86 -12.368 2.250 -5.422 649 HG3 PRO 86 3HG PRO 86 -13.887 2.227 -4.508 650 HD2 PRO 86 2HD PRO 86 -13.196 0.258 -6.233 651 HD3 PRO 86 3HD PRO 86 -14.883 0.736 -5.955 652 HA PRO 87 HA PRO 87 -10.891 4.401 -10.358 653 HB2 PRO 87 2HB PRO 87 -11.278 7.063 -10.725 654 HB3 PRO 87 3HB PRO 87 -12.138 5.831 -11.654 655 HG2 PRO 87 2HG PRO 87 -13.059 7.396 -9.274 656 HG3 PRO 87 3HG PRO 87 -13.941 6.997 -10.760 657 HD2 PRO 87 2HD PRO 87 -14.298 5.639 -8.445 658 HD3 PRO 87 3HD PRO 87 -14.448 4.868 -10.037 659 H THR 88 H THR 88 -11.788 5.749 -7.330 660 HA THR 88 HA THR 88 -9.467 7.376 -6.936 661 HB THR 88 HB THR 88 -10.256 7.803 -4.779 662 HG1 THR 88 HG1 THR 88 -10.991 6.249 -3.546 663 HG21 THR 88 3HG2 THR 88 -11.840 8.509 -6.577 664 HG22 THR 88 1HG2 THR 88 -12.602 8.269 -5.006 665 HG23 THR 88 2HG2 THR 88 -12.772 7.045 -6.264 666 H PHE 89 H PHE 89 -10.474 4.172 -5.762 667 HA PHE 89 HA PHE 89 -8.187 3.626 -4.239 668 HB2 PHE 89 2HB PHE 89 -9.808 2.095 -3.753 669 HB3 PHE 89 3HB PHE 89 -10.393 2.029 -5.412 670 HD1 PHE 89 HD2 PHE 89 -9.396 0.523 -7.026 671 HD2 PHE 89 HD1 PHE 89 -8.022 0.662 -3.000 672 HE1 PHE 89 HE2 PHE 89 -8.214 -1.609 -7.359 673 HE2 PHE 89 HE1 PHE 89 -6.838 -1.469 -3.326 674 HZ PHE 89 HZ PHE 89 -6.934 -2.609 -5.508 675 H THR 90 H THR 90 -8.945 2.857 -7.618 676 HA THR 90 HA THR 90 -6.744 1.349 -8.294 677 HB THR 90 HB THR 90 -7.615 3.411 -10.261 678 HG1 THR 90 HG1 THR 90 -9.540 2.040 -10.588 679 HG21 THR 90 3HG2 THR 90 -7.364 0.410 -10.468 680 HG22 THR 90 1HG2 THR 90 -6.058 1.542 -10.818 681 HG23 THR 90 2HG2 THR 90 -7.526 1.560 -11.795 682 H GLY 91 H GLY 91 -6.990 4.847 -7.958 683 HA2 GLY 91 2HA GLY 91 -4.595 5.621 -9.146 684 HA3 GLY 91 3HA GLY 91 -5.374 6.470 -7.819 685 H TRP 92 H TRP 92 -5.099 3.876 -6.221 686 HA TRP 92 HA TRP 92 -2.658 4.591 -4.934 687 HB2 TRP 92 2HB TRP 92 -4.475 2.202 -4.552 688 HB3 TRP 92 3HB TRP 92 -3.123 2.609 -3.499 689 HD1 TRP 92 HD1 TRP 92 -6.636 2.798 -3.331 690 HE1 TRP 92 HE1 TRP 92 -7.481 4.786 -1.931 691 HE3 TRP 92 HE3 TRP 92 -2.360 5.599 -3.235 692 HZ2 TRP 92 HZ2 TRP 92 -6.469 7.219 -0.920 693 HZ3 TRP 92 HZ3 TRP 92 -2.383 7.744 -2.030 694 HH2 TRP 92 HH2 TRP 92 -4.395 8.536 -0.897 695 H PHE 93 H PHE 93 -3.338 2.700 -7.628 696 HA PHE 93 HA PHE 93 -1.099 0.880 -7.266 697 HB2 PHE 93 2HB PHE 93 -3.285 1.169 -9.293 698 HB3 PHE 93 3HB PHE 93 -1.837 0.257 -9.707 699 HD1 PHE 93 HD2 PHE 93 -3.936 0.510 -6.630 700 HD2 PHE 93 HD1 PHE 93 -2.240 -1.995 -9.625 701 HE1 PHE 93 HE2 PHE 93 -4.863 -1.466 -5.497 702 HE2 PHE 93 HE1 PHE 93 -3.165 -3.976 -8.496 703 HZ PHE 93 HZ PHE 93 -4.478 -3.713 -6.429 704 H MET 94 H MET 94 0.333 0.603 -9.301 705 HA MET 94 HA MET 94 1.611 3.154 -9.754 706 HB2 MET 94 2HB MET 94 2.500 0.631 -11.089 707 HB3 MET 94 3HB MET 94 3.466 1.960 -10.464 708 HG2 MET 94 2HG MET 94 2.043 -0.142 -8.848 709 HG3 MET 94 3HG MET 94 3.780 -0.003 -9.108 710 HE1 MET 94 3HE MET 94 5.135 2.259 -8.347 711 HE2 MET 94 1HE MET 94 5.003 2.455 -6.599 712 HE3 MET 94 2HE MET 94 5.229 0.849 -7.291 713 H ALA 95 H ALA 95 -0.631 1.155 -11.378 714 HA ALA 95 HA ALA 95 -0.105 2.481 -13.948 715 HB1 ALA 95 1HB ALA 95 -1.002 0.681 -15.034 716 HB2 ALA 95 2HB ALA 95 -0.365 -0.117 -13.595 717 HB3 ALA 95 3HB ALA 95 -2.082 0.272 -13.701 718 H TRP 96 H TRP 96 -1.197 4.335 -14.113 719 HA TRP 96 HA TRP 96 -3.441 5.113 -12.700 720 HB2 TRP 96 2HB TRP 96 -2.168 5.999 -15.243 721 HB3 TRP 96 3HB TRP 96 -3.789 6.591 -14.893 722 HD1 TRP 96 HD1 TRP 96 -0.490 7.811 -14.604 723 HE1 TRP 96 HE1 TRP 96 -0.181 9.434 -12.630 724 HE3 TRP 96 HE3 TRP 96 -4.706 6.671 -11.948 725 HZ2 TRP 96 HZ2 TRP 96 -1.544 10.138 -10.261 726 HZ3 TRP 96 HZ3 TRP 96 -5.129 7.864 -9.838 727 HH2 TRP 96 HH2 TRP 96 -3.580 9.561 -9.013 728 H ASP 97 H ASP 97 -5.644 5.534 -13.527 729 HA ASP 97 HA ASP 97 -6.554 3.368 -15.308 730 HB2 ASP 97 2HB ASP 97 -7.130 3.378 -12.719 731 HB3 ASP 97 3HB ASP 97 -8.385 4.500 -13.239 732 HA PRO 98 HA PRO 98 -8.225 6.569 -17.840 733 HB2 PRO 98 2HB PRO 98 -9.947 5.054 -19.292 734 HB3 PRO 98 3HB PRO 98 -8.197 5.021 -19.537 735 HG2 PRO 98 2HG PRO 98 -9.931 3.119 -18.009 736 HG3 PRO 98 3HG PRO 98 -8.589 2.769 -19.113 737 HD2 PRO 98 2HD PRO 98 -8.309 2.725 -16.420 738 HD3 PRO 98 3HD PRO 98 -6.991 3.202 -17.510 739 H LEU 99 H LEU 99 -10.000 4.787 -15.546 740 HA LEU 99 HA LEU 99 -12.514 6.155 -16.065 741 HB2 LEU 99 2HB LEU 99 -11.673 4.115 -14.018 742 HB3 LEU 99 3HB LEU 99 -13.269 4.862 -14.038 743 HG LEU 99 HG LEU 99 -12.241 3.393 -16.440 744 HD11 LEU 99 1HD1 LEU 99 -13.855 1.583 -15.206 745 HD12 LEU 99 2HD1 LEU 99 -12.972 2.263 -13.839 746 HD13 LEU 99 3HD1 LEU 99 -12.091 1.544 -15.187 747 HD21 LEU 99 3HD2 LEU 99 -14.504 3.229 -17.032 748 HD22 LEU 99 1HD2 LEU 99 -14.320 4.873 -16.418 749 HD23 LEU 99 2HD2 LEU 99 -15.050 3.629 -15.402 750 H CYS 100 H CYS 100 -9.814 7.272 -14.903 751 HA CYS 100 HA CYS 100 -10.499 8.261 -12.322 752 HB2 CYS 100 2HB CYS 100 -8.307 8.712 -14.280 753 HB3 CYS 100 3HB CYS 100 -8.573 9.962 -13.071 754 HG CYS 100 HG CYS 100 -8.549 7.010 -11.614 755 H TRP 101 H TRP 101 -11.460 9.121 -15.444 756 HA TRP 101 HA TRP 101 -12.000 11.904 -14.761 757 HB2 TRP 101 2HB TRP 101 -11.978 10.299 -17.266 758 HB3 TRP 101 3HB TRP 101 -13.077 11.675 -17.201 759 HD1 TRP 101 HD1 TRP 101 -12.046 14.054 -17.478 760 HE1 TRP 101 HE1 TRP 101 -9.668 14.933 -17.920 761 HE3 TRP 101 HE3 TRP 101 -9.424 9.735 -16.695 762 HZ2 TRP 101 HZ2 TRP 101 -7.030 13.930 -17.935 763 HZ3 TRP 101 HZ3 TRP 101 -6.976 9.780 -16.944 764 HH2 TRP 101 HH2 TRP 101 -5.806 11.834 -17.552 765 H SER 102 H SER 102 -13.397 9.351 -13.705 766 HA SER 102 HA SER 102 -16.062 9.378 -14.609 767 HB2 SER 102 2HB SER 102 -16.524 7.900 -12.866 768 HB3 SER 102 3HB SER 102 -14.796 7.650 -13.115 769 HG SER 102 HG SER 102 -14.371 8.919 -11.337 770 H ASP 103 H ASP 103 -14.328 11.595 -12.713 771 HA ASP 103 HA ASP 103 -16.739 12.691 -11.469 772 HB2 ASP 103 2HB ASP 103 -13.811 13.354 -11.114 773 HB3 ASP 103 3HB ASP 103 -15.118 14.214 -10.306 774 H ARG 104 H ARG 104 -14.224 13.506 -13.796 775 HA ARG 104 HA ARG 104 -14.826 16.188 -14.220 776 HB2 ARG 104 2HB ARG 104 -13.550 14.039 -15.836 777 HB3 ARG 104 3HB ARG 104 -14.039 15.505 -16.676 778 HG2 ARG 104 2HG ARG 104 -11.787 15.812 -16.072 779 HG3 ARG 104 3HG ARG 104 -12.729 16.788 -14.943 780 HD2 ARG 104 2HD ARG 104 -12.380 15.302 -13.181 781 HD3 ARG 104 3HD ARG 104 -11.933 13.982 -14.260 782 HE ARG 104 HE ARG 104 -10.123 16.210 -14.357 783 HH11 ARG 104 1HH1 ARG 104 -10.935 13.254 -12.706 784 HH12 ARG 104 2HH1 ARG 104 -9.330 12.994 -12.108 785 HH21 ARG 104 1HH2 ARG 104 -8.006 15.878 -13.576 786 HH22 ARG 104 2HH2 ARG 104 -7.665 14.488 -12.603 787 H LYS 105 H LYS 105 -16.455 13.307 -15.311 788 HA LYS 105 HA LYS 105 -18.078 14.673 -17.260 789 HB2 LYS 105 2HB LYS 105 -18.091 11.888 -16.116 790 HB3 LYS 105 3HB LYS 105 -19.356 12.446 -17.202 791 HG2 LYS 105 2HG LYS 105 -17.029 13.130 -18.517 792 HG3 LYS 105 3HG LYS 105 -16.655 11.569 -17.785 793 HD2 LYS 105 2HD LYS 105 -19.084 12.151 -19.480 794 HD3 LYS 105 3HD LYS 105 -17.613 11.363 -20.055 795 HE2 LYS 105 2HE LYS 105 -18.516 10.050 -17.684 796 HE3 LYS 105 3HE LYS 105 -19.861 10.184 -18.815 797 HZ1 LYS 105 3HZ LYS 105 -17.240 8.879 -19.248 798 HZ2 LYS 105 1HZ LYS 105 -18.274 9.271 -20.529 799 HZ3 LYS 105 2HZ LYS 105 -18.781 8.186 -19.335 800 H SER 106 H SER 106 -18.199 14.103 -13.883 801 HA SER 106 HA SER 106 -21.071 14.677 -13.766 802 HB2 SER 106 2HB SER 106 -21.101 13.739 -11.639 803 HB3 SER 106 3HB SER 106 -19.843 12.786 -12.425 804 HG SER 106 HG SER 106 -18.982 13.435 -10.515 805 H TYR 107 H TYR 107 -21.801 16.634 -13.270 806 HA TYR 107 HA TYR 107 -19.905 18.722 -12.586 807 HB2 TYR 107 2HB TYR 107 -21.579 19.157 -14.320 808 HB3 TYR 107 3HB TYR 107 -22.873 18.857 -13.165 809 HD1 TYR 107 HD2 TYR 107 -20.286 21.217 -14.240 810 HD2 TYR 107 HD1 TYR 107 -23.432 20.499 -11.466 811 HE1 TYR 107 HE2 TYR 107 -20.272 23.596 -13.618 812 HE2 TYR 107 HE1 TYR 107 -23.427 22.877 -10.837 813 HH TYR 107 HH TYR 107 -22.085 24.800 -10.915 Start of MODEL 9 1 HA PRO 1 HA PRO 1 1.503 0.106 -1.593 2 HB2 PRO 1 2HB PRO 1 3.740 0.087 -3.131 3 HB3 PRO 1 3HB PRO 1 3.278 1.465 -2.124 4 HG2 PRO 1 2HG PRO 1 5.270 -0.701 -1.573 5 HG3 PRO 1 3HG PRO 1 5.405 1.043 -1.284 6 HD2 PRO 1 2HD PRO 1 4.809 -0.718 0.684 7 HD3 PRO 1 3HD PRO 1 4.181 0.942 0.666 8 H ARG 2 H ARG 2 2.146 -2.680 -0.399 9 HA ARG 2 HA ARG 2 2.122 -4.120 -2.971 10 HB2 ARG 2 2HB ARG 2 3.280 -5.014 -0.326 11 HB3 ARG 2 3HB ARG 2 3.122 -6.043 -1.743 12 HG2 ARG 2 2HG ARG 2 5.132 -5.369 -2.374 13 HG3 ARG 2 3HG ARG 2 4.460 -3.758 -2.631 14 HD2 ARG 2 2HD ARG 2 5.329 -2.939 -0.703 15 HD3 ARG 2 3HD ARG 2 5.154 -4.472 0.152 16 HE ARG 2 HE ARG 2 7.301 -4.983 -0.427 17 HH11 ARG 2 1HH1 ARG 2 6.148 -2.455 -2.524 18 HH12 ARG 2 2HH1 ARG 2 7.684 -2.208 -3.286 19 HH21 ARG 2 1HH2 ARG 2 9.329 -4.667 -1.422 20 HH22 ARG 2 2HH2 ARG 2 9.493 -3.467 -2.659 21 H LEU 3 H LEU 3 0.971 -6.220 -2.893 22 HA LEU 3 HA LEU 3 -1.511 -5.913 -1.384 23 HB2 LEU 3 2HB LEU 3 -0.694 -7.336 -3.856 24 HB3 LEU 3 3HB LEU 3 -2.023 -8.020 -2.923 25 HG LEU 3 HG LEU 3 -1.954 -5.214 -4.031 26 HD11 LEU 3 1HD1 LEU 3 -2.095 -7.238 -5.647 27 HD12 LEU 3 2HD1 LEU 3 -3.243 -5.911 -5.815 28 HD13 LEU 3 3HD1 LEU 3 -3.733 -7.404 -5.016 29 HD21 LEU 3 3HD2 LEU 3 -4.533 -6.339 -3.357 30 HD22 LEU 3 1HD2 LEU 3 -3.808 -4.806 -2.871 31 HD23 LEU 3 2HD2 LEU 3 -3.462 -6.274 -1.956 32 H PHE 4 H PHE 4 -2.536 -8.187 -0.847 33 HA PHE 4 HA PHE 4 -0.616 -10.109 0.153 34 HB2 PHE 4 2HB PHE 4 -2.391 -8.535 2.029 35 HB3 PHE 4 3HB PHE 4 -1.502 -9.986 2.483 36 HD1 PHE 4 HD2 PHE 4 0.985 -9.954 2.467 37 HD2 PHE 4 HD1 PHE 4 -1.338 -6.428 1.928 38 HE1 PHE 4 HE2 PHE 4 2.952 -8.580 3.009 39 HE2 PHE 4 HE1 PHE 4 0.626 -5.048 2.469 40 HZ PHE 4 HZ PHE 4 2.774 -6.123 3.011 41 H GLU 5 H GLU 5 -1.554 -11.744 -0.970 42 HA GLU 5 HA GLU 5 -4.431 -12.138 -0.853 43 HB2 GLU 5 2HB GLU 5 -2.197 -13.202 -2.481 44 HB3 GLU 5 3HB GLU 5 -3.545 -14.296 -2.204 45 HG2 GLU 5 2HG GLU 5 -4.965 -13.099 -3.488 46 HG3 GLU 5 3HG GLU 5 -4.228 -11.556 -3.061 47 H CYS 6 H CYS 6 -5.269 -13.132 0.851 48 HA CYS 6 HA CYS 6 -3.839 -15.455 1.959 49 HB2 CYS 6 2HB CYS 6 -5.572 -13.702 3.674 50 HB3 CYS 6 3HB CYS 6 -4.303 -14.819 4.162 51 HG CYS 6 HG CYS 6 -2.236 -13.210 3.822 52 H SER 7 H SER 7 -4.969 -17.194 1.401 53 HA SER 7 HA SER 7 -7.855 -17.208 1.922 54 HB2 SER 7 2HB SER 7 -7.098 -16.895 -0.601 55 HB3 SER 7 3HB SER 7 -6.873 -18.642 -0.509 56 HG SER 7 HG SER 7 -9.141 -17.282 -0.807 57 H ASN 8 H ASN 8 -8.752 -19.331 2.233 58 HA ASN 8 HA ASN 8 -6.803 -21.156 3.407 59 HB2 ASN 8 2HB ASN 8 -8.850 -22.296 4.323 60 HB3 ASN 8 3HB ASN 8 -8.650 -20.625 4.841 61 HD21 ASN 8 1HD2 ASN 8 -10.512 -19.622 4.939 62 HD22 ASN 8 2HD2 ASN 8 -11.829 -19.797 3.834 63 H LYS 9 H LYS 9 -6.484 -23.242 2.755 64 HA LYS 9 HA LYS 9 -7.112 -23.870 0.041 65 HB2 LYS 9 2HB LYS 9 -6.000 -25.774 2.098 66 HB3 LYS 9 3HB LYS 9 -5.797 -25.832 0.352 67 HG2 LYS 9 2HG LYS 9 -4.489 -23.739 0.474 68 HG3 LYS 9 3HG LYS 9 -4.624 -23.795 2.233 69 HD2 LYS 9 2HD LYS 9 -3.417 -25.995 0.562 70 HD3 LYS 9 3HD LYS 9 -2.480 -24.710 1.327 71 HE2 LYS 9 2HE LYS 9 -2.329 -26.162 3.037 72 HE3 LYS 9 3HE LYS 9 -3.951 -25.590 3.424 73 HZ1 LYS 9 3HZ LYS 9 -4.884 -27.446 2.240 74 HZ2 LYS 9 1HZ LYS 9 -3.784 -28.022 3.389 75 HZ3 LYS 9 2HZ LYS 9 -3.351 -27.971 1.755 76 H THR 10 H THR 10 -7.922 -25.510 3.105 77 HA THR 10 HA THR 10 -10.474 -26.328 1.903 78 HB THR 10 HB THR 10 -10.302 -28.571 2.717 79 HG1 THR 10 HG1 THR 10 -9.120 -28.847 4.447 80 HG21 THR 10 3HG2 THR 10 -8.554 -29.449 1.355 81 HG22 THR 10 1HG2 THR 10 -7.622 -27.957 1.478 82 HG23 THR 10 2HG2 THR 10 -9.130 -27.982 0.564 83 H GLY 11 H GLY 11 -8.623 -26.476 4.957 84 HA2 GLY 11 2HA GLY 11 -10.982 -25.349 6.317 85 HA3 GLY 11 3HA GLY 11 -10.199 -26.786 6.959 86 H ARG 12 H ARG 12 -7.836 -24.917 5.609 87 HA ARG 12 HA ARG 12 -7.332 -23.494 8.140 88 HB2 ARG 12 2HB ARG 12 -5.293 -24.872 6.382 89 HB3 ARG 12 3HB ARG 12 -4.929 -23.931 7.821 90 HG2 ARG 12 2HG ARG 12 -6.785 -26.257 8.015 91 HG3 ARG 12 3HG ARG 12 -5.042 -26.524 7.945 92 HD2 ARG 12 2HD ARG 12 -5.239 -24.531 9.801 93 HD3 ARG 12 3HD ARG 12 -6.704 -25.462 10.109 94 HE ARG 12 HE ARG 12 -4.484 -27.192 9.886 95 HH11 ARG 12 1HH1 ARG 12 -5.914 -24.854 12.033 96 HH12 ARG 12 2HH1 ARG 12 -5.251 -25.569 13.465 97 HH21 ARG 12 1HH2 ARG 12 -3.605 -28.143 11.764 98 HH22 ARG 12 2HH2 ARG 12 -3.937 -27.440 13.311 99 H PHE 13 H PHE 13 -6.728 -21.403 7.994 100 HA PHE 13 HA PHE 13 -6.864 -20.150 5.390 101 HB2 PHE 13 2HB PHE 13 -7.992 -18.845 6.925 102 HB3 PHE 13 3HB PHE 13 -6.851 -19.196 8.220 103 HD1 PHE 13 HD1 PHE 13 -4.762 -17.962 8.407 104 HD2 PHE 13 HD2 PHE 13 -7.611 -17.050 5.380 105 HE1 PHE 13 HE1 PHE 13 -3.638 -15.811 8.002 106 HE2 PHE 13 HE2 PHE 13 -6.491 -14.898 4.969 107 HZ PHE 13 HZ PHE 13 -4.502 -14.276 6.281 108 H LEU 14 H LEU 14 -5.228 -19.132 4.316 109 HA LEU 14 HA LEU 14 -2.530 -19.382 5.475 110 HB2 LEU 14 2HB LEU 14 -3.587 -20.089 2.797 111 HB3 LEU 14 3HB LEU 14 -1.970 -19.392 2.870 112 HG LEU 14 HG LEU 14 -1.867 -21.818 2.809 113 HD11 LEU 14 1HD1 LEU 14 -0.194 -20.513 4.103 114 HD12 LEU 14 2HD1 LEU 14 -0.411 -22.166 4.679 115 HD13 LEU 14 3HD1 LEU 14 -1.141 -20.823 5.559 116 HD21 LEU 14 3HD2 LEU 14 -3.268 -21.868 5.468 117 HD22 LEU 14 1HD2 LEU 14 -2.854 -23.223 4.418 118 HD23 LEU 14 2HD2 LEU 14 -4.123 -22.095 3.942 119 H ALA 15 H ALA 15 -1.314 -17.592 5.526 120 HA ALA 15 HA ALA 15 -2.371 -15.191 4.189 121 HB1 ALA 15 1HB ALA 15 -1.622 -13.887 5.938 122 HB2 ALA 15 2HB ALA 15 -2.102 -15.365 6.773 123 HB3 ALA 15 3HB ALA 15 -0.399 -15.059 6.429 124 H THR 16 H THR 16 -1.272 -14.483 2.494 125 HA THR 16 HA THR 16 1.647 -14.816 2.442 126 HB THR 16 HB THR 16 0.159 -15.098 -0.130 127 HG1 THR 16 HG1 THR 16 0.185 -17.439 0.325 128 HG21 THR 16 3HG2 THR 16 2.204 -16.909 -0.085 129 HG22 THR 16 1HG2 THR 16 2.835 -15.627 0.947 130 HG23 THR 16 2HG2 THR 16 2.329 -15.262 -0.702 131 H GLU 17 H GLU 17 2.763 -13.311 1.066 132 HA GLU 17 HA GLU 17 1.253 -10.812 0.714 133 HB2 GLU 17 2HB GLU 17 3.027 -10.422 2.215 134 HB3 GLU 17 3HB GLU 17 4.156 -11.375 1.263 135 HG2 GLU 17 2HG GLU 17 2.967 -8.936 0.048 136 HG3 GLU 17 3HG GLU 17 4.238 -8.756 1.256 137 H ILE 18 H ILE 18 1.431 -9.619 -1.185 138 HA ILE 18 HA ILE 18 2.747 -10.972 -3.444 139 HB ILE 18 HB ILE 18 0.046 -9.623 -3.539 140 HG12 ILE 18 2HG1 ILE 18 -0.044 -11.803 -2.417 141 HG13 ILE 18 3HG1 ILE 18 -0.831 -11.874 -3.990 142 HG21 ILE 18 1HG2 ILE 18 1.968 -10.184 -5.573 143 HG22 ILE 18 2HG2 ILE 18 0.541 -11.187 -5.831 144 HG23 ILE 18 3HG2 ILE 18 0.378 -9.435 -5.724 145 HD11 ILE 18 3HD1 ILE 18 1.308 -13.455 -2.972 146 HD12 ILE 18 1HD1 ILE 18 0.430 -13.614 -4.493 147 HD13 ILE 18 2HD1 ILE 18 1.858 -12.581 -4.401 148 H VAL 19 H VAL 19 4.296 -9.702 -4.200 149 HA VAL 19 HA VAL 19 4.821 -7.094 -3.581 150 HB VAL 19 HB VAL 19 5.401 -8.334 -6.274 151 HG11 VAL 19 1HG1 VAL 19 6.060 -6.165 -6.549 152 HG12 VAL 19 2HG1 VAL 19 6.375 -5.924 -4.829 153 HG13 VAL 19 3HG1 VAL 19 7.522 -6.827 -5.819 154 HG21 VAL 19 3HG2 VAL 19 6.540 -9.868 -5.111 155 HG22 VAL 19 1HG2 VAL 19 7.676 -8.569 -4.746 156 HG23 VAL 19 2HG2 VAL 19 6.390 -8.963 -3.605 157 H ASP 20 H ASP 20 4.498 -5.085 -4.595 158 HA ASP 20 HA ASP 20 1.977 -4.371 -5.309 159 HB2 ASP 20 2HB ASP 20 3.972 -2.854 -4.863 160 HB3 ASP 20 3HB ASP 20 4.394 -3.068 -6.560 161 H PHE 21 H PHE 21 0.882 -5.676 -6.712 162 HA PHE 21 HA PHE 21 1.948 -5.898 -9.447 163 HB2 PHE 21 2HB PHE 21 0.309 -7.705 -7.746 164 HB3 PHE 21 3HB PHE 21 -0.036 -7.695 -9.472 165 HD1 PHE 21 HD1 PHE 21 3.313 -7.117 -8.080 166 HD2 PHE 21 HD2 PHE 21 0.681 -9.930 -9.889 167 HE1 PHE 21 HE1 PHE 21 5.209 -8.638 -8.463 168 HE2 PHE 21 HE2 PHE 21 2.572 -11.456 -10.275 169 HZ PHE 21 HZ PHE 21 4.839 -10.812 -9.561 170 H THR 22 H THR 22 0.011 -6.215 -11.068 171 HA THR 22 HA THR 22 -1.663 -3.836 -10.756 172 HB THR 22 HB THR 22 -1.968 -3.838 -13.108 173 HG1 THR 22 HG1 THR 22 -0.955 -5.722 -14.296 174 HG21 THR 22 3HG2 THR 22 0.226 -3.051 -12.467 175 HG22 THR 22 1HG2 THR 22 0.352 -3.936 -13.986 176 HG23 THR 22 2HG2 THR 22 0.858 -4.697 -12.478 177 H GLN 23 H GLN 23 -3.870 -4.080 -11.963 178 HA GLN 23 HA GLN 23 -5.455 -5.847 -10.458 179 HB2 GLN 23 2HB GLN 23 -6.195 -4.475 -13.047 180 HB3 GLN 23 3HB GLN 23 -7.309 -5.103 -11.839 181 HG2 GLN 23 2HG GLN 23 -6.424 -3.465 -10.221 182 HG3 GLN 23 3HG GLN 23 -5.398 -2.804 -11.493 183 HE21 GLN 23 1HE2 GLN 23 -8.793 -3.589 -10.841 184 HE22 GLN 23 2HE2 GLN 23 -9.447 -2.206 -11.644 185 H ASP 24 H ASP 24 -3.690 -6.297 -13.354 186 HA ASP 24 HA ASP 24 -5.171 -8.259 -14.664 187 HB2 ASP 24 2HB ASP 24 -2.190 -7.817 -14.481 188 HB3 ASP 24 3HB ASP 24 -2.914 -9.035 -15.528 189 H ASP 25 H ASP 25 -2.686 -8.620 -12.149 190 HA ASP 25 HA ASP 25 -3.039 -11.471 -12.007 191 HB2 ASP 25 2HB ASP 25 -1.343 -9.445 -10.640 192 HB3 ASP 25 3HB ASP 25 -1.648 -10.951 -9.779 193 H LEU 26 H LEU 26 -4.767 -8.857 -10.843 194 HA LEU 26 HA LEU 26 -5.514 -9.677 -8.268 195 HB2 LEU 26 2HB LEU 26 -5.957 -7.468 -9.585 196 HB3 LEU 26 3HB LEU 26 -7.435 -8.288 -10.086 197 HG LEU 26 HG LEU 26 -7.775 -6.770 -8.176 198 HD11 LEU 26 1HD1 LEU 26 -9.247 -8.683 -8.482 199 HD12 LEU 26 2HD1 LEU 26 -8.996 -8.353 -6.768 200 HD13 LEU 26 3HD1 LEU 26 -8.150 -9.693 -7.540 201 HD21 LEU 26 3HD2 LEU 26 -6.835 -7.227 -6.026 202 HD22 LEU 26 1HD2 LEU 26 -5.511 -7.121 -7.187 203 HD23 LEU 26 2HD2 LEU 26 -6.061 -8.698 -6.618 204 H ASP 27 H ASP 27 -6.151 -11.736 -7.954 205 HA ASP 27 HA ASP 27 -7.518 -13.401 -9.673 206 HB2 ASP 27 2HB ASP 27 -7.235 -13.284 -6.703 207 HB3 ASP 27 3HB ASP 27 -8.409 -14.404 -7.388 208 H GLU 28 H GLU 28 -9.783 -14.287 -9.285 209 HA GLU 28 HA GLU 28 -11.651 -12.218 -9.774 210 HB2 GLU 28 2HB GLU 28 -12.098 -15.140 -9.138 211 HB3 GLU 28 3HB GLU 28 -13.340 -14.038 -9.717 212 HG2 GLU 28 2HG GLU 28 -10.948 -14.100 -11.389 213 HG3 GLU 28 3HG GLU 28 -11.789 -15.645 -11.281 214 H ASN 29 H ASN 29 -11.691 -14.630 -7.143 215 HA ASN 29 HA ASN 29 -12.767 -12.537 -5.372 216 HB2 ASN 29 2HB ASN 29 -13.591 -15.447 -5.487 217 HB3 ASN 29 3HB ASN 29 -14.134 -14.294 -4.272 218 HD21 ASN 29 1HD2 ASN 29 -14.344 -15.275 -7.594 219 HD22 ASN 29 2HD2 ASN 29 -15.731 -14.328 -7.998 220 H ASP 30 H ASP 30 -10.978 -12.076 -4.199 221 HA ASP 30 HA ASP 30 -10.004 -14.157 -2.416 222 HB2 ASP 30 2HB ASP 30 -8.370 -12.877 -4.548 223 HB3 ASP 30 3HB ASP 30 -7.605 -13.120 -2.980 224 H VAL 31 H VAL 31 -8.479 -13.200 -0.753 225 HA VAL 31 HA VAL 31 -9.537 -10.585 0.053 226 HB VAL 31 HB VAL 31 -8.002 -12.567 1.737 227 HG11 VAL 31 1HG1 VAL 31 -9.592 -10.099 2.420 228 HG12 VAL 31 2HG1 VAL 31 -9.006 -11.263 3.609 229 HG13 VAL 31 3HG1 VAL 31 -7.859 -10.347 2.630 230 HG21 VAL 31 3HG2 VAL 31 -10.698 -12.418 2.545 231 HG22 VAL 31 1HG2 VAL 31 -10.700 -12.668 0.799 232 HG23 VAL 31 2HG2 VAL 31 -9.847 -13.798 1.851 233 H TYR 32 H TYR 32 -8.300 -8.965 -0.663 234 HA TYR 32 HA TYR 32 -5.376 -9.249 -0.494 235 HB2 TYR 32 2HB TYR 32 -6.640 -7.006 -2.000 236 HB3 TYR 32 3HB TYR 32 -5.149 -7.881 -2.331 237 HD1 TYR 32 HD2 TYR 32 -8.807 -7.929 -2.695 238 HD2 TYR 32 HD1 TYR 32 -5.156 -9.890 -3.657 239 HE1 TYR 32 HE2 TYR 32 -9.984 -9.281 -4.379 240 HE2 TYR 32 HE1 TYR 32 -6.322 -11.247 -5.345 241 HH TYR 32 HH TYR 32 -9.792 -11.228 -5.639 242 H LEU 33 H LEU 33 -4.200 -7.177 -0.021 243 HA LEU 33 HA LEU 33 -5.672 -5.357 1.730 244 HB2 LEU 33 2HB LEU 33 -3.187 -6.853 2.551 245 HB3 LEU 33 3HB LEU 33 -3.923 -5.535 3.461 246 HG LEU 33 HG LEU 33 -5.809 -7.677 2.930 247 HD11 LEU 33 1HD1 LEU 33 -4.725 -9.219 4.612 248 HD12 LEU 33 2HD1 LEU 33 -3.230 -8.327 4.330 249 HD13 LEU 33 3HD1 LEU 33 -4.003 -9.194 3.003 250 HD21 LEU 33 3HD2 LEU 33 -5.389 -5.678 4.796 251 HD22 LEU 33 1HD2 LEU 33 -5.068 -7.167 5.686 252 HD23 LEU 33 2HD2 LEU 33 -6.616 -6.943 4.872 253 H LEU 34 H LEU 34 -5.292 -3.423 0.880 254 HA LEU 34 HA LEU 34 -2.588 -2.832 -0.126 255 HB2 LEU 34 2HB LEU 34 -4.235 -2.707 -1.873 256 HB3 LEU 34 3HB LEU 34 -5.260 -1.667 -0.886 257 HG LEU 34 HG LEU 34 -3.102 -0.108 -0.995 258 HD11 LEU 34 1HD1 LEU 34 -1.566 -1.067 -2.328 259 HD12 LEU 34 2HD1 LEU 34 -2.566 -0.411 -3.623 260 HD13 LEU 34 3HD1 LEU 34 -2.750 -2.096 -3.135 261 HD21 LEU 34 3HD2 LEU 34 -4.593 0.101 -3.488 262 HD22 LEU 34 1HD2 LEU 34 -4.478 1.229 -2.136 263 HD23 LEU 34 2HD2 LEU 34 -5.630 -0.105 -2.075 264 H ASP 35 H ASP 35 -1.544 -1.923 1.557 265 HA ASP 35 HA ASP 35 -2.893 0.022 3.247 266 HB2 ASP 35 2HB ASP 35 0.021 -0.650 3.473 267 HB3 ASP 35 3HB ASP 35 -1.121 -0.210 4.740 268 H THR 36 H THR 36 -3.019 2.054 2.579 269 HA THR 36 HA THR 36 -0.851 3.149 0.923 270 HB THR 36 HB THR 36 -2.343 4.557 -0.105 271 HG1 THR 36 HG1 THR 36 -4.013 5.528 0.916 272 HG21 THR 36 3HG2 THR 36 -3.060 2.248 -0.539 273 HG22 THR 36 1HG2 THR 36 -4.422 3.367 -0.577 274 HG23 THR 36 2HG2 THR 36 -4.166 2.337 0.831 275 H TRP 37 H TRP 37 -0.713 5.665 1.233 276 HA TRP 37 HA TRP 37 0.319 6.100 3.833 277 HB2 TRP 37 2HB TRP 37 1.244 7.245 1.885 278 HB3 TRP 37 3HB TRP 37 -0.288 8.074 1.622 279 HD1 TRP 37 HD1 TRP 37 -1.043 9.656 3.907 280 HE1 TRP 37 HE1 TRP 37 0.480 11.275 5.205 281 HE3 TRP 37 HE3 TRP 37 3.506 7.779 2.521 282 HZ2 TRP 37 HZ2 TRP 37 3.244 11.701 5.590 283 HZ3 TRP 37 HZ3 TRP 37 5.541 8.850 3.398 284 HH2 TRP 37 HH2 TRP 37 5.410 10.771 4.900 285 H ASP 38 H ASP 38 -2.706 6.958 2.261 286 HA ASP 38 HA ASP 38 -3.603 8.606 4.446 287 HB2 ASP 38 2HB ASP 38 -4.822 7.632 1.885 288 HB3 ASP 38 3HB ASP 38 -5.846 8.341 3.131 289 H GLN 39 H GLN 39 -4.375 5.374 3.199 290 HA GLN 39 HA GLN 39 -4.856 4.279 5.740 291 HB2 GLN 39 2HB GLN 39 -6.897 5.828 5.352 292 HB3 GLN 39 3HB GLN 39 -7.424 4.594 4.215 293 HG2 GLN 39 2HG GLN 39 -8.416 4.371 6.469 294 HG3 GLN 39 3HG GLN 39 -7.522 2.947 5.939 295 HE21 GLN 39 1HE2 GLN 39 -6.727 2.069 7.721 296 HE22 GLN 39 2HE2 GLN 39 -5.811 2.896 8.930 297 H ILE 40 H ILE 40 -5.786 2.060 5.605 298 HA ILE 40 HA ILE 40 -4.810 0.773 3.185 299 HB ILE 40 HB ILE 40 -5.886 -0.552 5.673 300 HG12 ILE 40 2HG1 ILE 40 -3.219 -0.865 5.880 301 HG13 ILE 40 3HG1 ILE 40 -3.263 0.706 5.087 302 HG21 ILE 40 1HG2 ILE 40 -4.701 -2.499 4.905 303 HG22 ILE 40 2HG2 ILE 40 -5.756 -1.926 3.615 304 HG23 ILE 40 3HG2 ILE 40 -4.024 -1.600 3.547 305 HD11 ILE 40 3HD1 ILE 40 -3.841 -0.009 7.831 306 HD12 ILE 40 1HD1 ILE 40 -3.476 1.563 7.121 307 HD13 ILE 40 2HD1 ILE 40 -5.129 0.947 7.099 308 H PHE 41 H PHE 41 -6.053 -0.098 1.649 309 HA PHE 41 HA PHE 41 -8.952 0.088 1.962 310 HB2 PHE 41 2HB PHE 41 -7.075 0.022 -0.345 311 HB3 PHE 41 3HB PHE 41 -8.681 -0.653 -0.596 312 HD1 PHE 41 HD2 PHE 41 -7.055 2.388 0.824 313 HD2 PHE 41 HD1 PHE 41 -10.352 0.748 -1.311 314 HE1 PHE 41 HE2 PHE 41 -7.946 4.653 0.468 315 HE2 PHE 41 HE1 PHE 41 -11.248 3.011 -1.671 316 HZ PHE 41 HZ PHE 41 -10.046 4.967 -0.780 317 H PHE 42 H PHE 42 -10.027 -1.640 2.621 318 HA PHE 42 HA PHE 42 -8.865 -4.293 2.288 319 HB2 PHE 42 2HB PHE 42 -10.991 -3.115 4.018 320 HB3 PHE 42 3HB PHE 42 -11.068 -4.837 3.663 321 HD1 PHE 42 HD2 PHE 42 -7.851 -3.132 3.879 322 HD2 PHE 42 HD1 PHE 42 -10.749 -5.423 5.993 323 HE1 PHE 42 HE2 PHE 42 -6.206 -3.568 5.655 324 HE2 PHE 42 HE1 PHE 42 -9.108 -5.862 7.773 325 HZ PHE 42 HZ PHE 42 -6.833 -4.935 7.605 326 H TRP 43 H TRP 43 -9.260 -5.211 0.377 327 HA TRP 43 HA TRP 43 -11.874 -4.827 -0.889 328 HB2 TRP 43 2HB TRP 43 -9.151 -5.485 -1.858 329 HB3 TRP 43 3HB TRP 43 -10.488 -6.247 -2.715 330 HD1 TRP 43 HD1 TRP 43 -10.287 -2.622 -1.347 331 HE1 TRP 43 HE1 TRP 43 -10.717 -1.012 -3.309 332 HE3 TRP 43 HE3 TRP 43 -10.645 -6.037 -5.135 333 HZ2 TRP 43 HZ2 TRP 43 -11.152 -1.169 -6.093 334 HZ3 TRP 43 HZ3 TRP 43 -11.071 -5.224 -7.418 335 HH2 TRP 43 HH2 TRP 43 -11.319 -2.841 -7.885 336 H ILE 44 H ILE 44 -13.371 -6.277 -0.378 337 HA ILE 44 HA ILE 44 -12.549 -9.093 -0.083 338 HB ILE 44 HB ILE 44 -14.773 -7.631 1.343 339 HG12 ILE 44 2HG1 ILE 44 -13.091 -9.017 3.127 340 HG13 ILE 44 3HG1 ILE 44 -12.021 -8.213 1.985 341 HG21 ILE 44 1HG2 ILE 44 -14.200 -10.534 1.002 342 HG22 ILE 44 2HG2 ILE 44 -14.853 -9.966 2.538 343 HG23 ILE 44 3HG2 ILE 44 -15.746 -9.686 1.043 344 HD11 ILE 44 3HD1 ILE 44 -13.355 -7.118 4.213 345 HD12 ILE 44 1HD1 ILE 44 -12.305 -6.304 3.054 346 HD13 ILE 44 2HD1 ILE 44 -14.044 -6.379 2.767 347 H GLY 45 H GLY 45 -13.182 -10.235 -1.788 348 HA2 GLY 45 2HA GLY 45 -15.320 -9.363 -3.501 349 HA3 GLY 45 3HA GLY 45 -14.369 -10.830 -3.681 350 H LYS 46 H LYS 46 -16.467 -11.763 -4.278 351 HA LYS 46 HA LYS 46 -18.315 -12.189 -2.059 352 HB2 LYS 46 2HB LYS 46 -18.443 -12.545 -5.018 353 HB3 LYS 46 3HB LYS 46 -19.491 -13.541 -4.017 354 HG2 LYS 46 2HG LYS 46 -19.685 -10.864 -3.097 355 HG3 LYS 46 3HG LYS 46 -19.863 -10.862 -4.853 356 HD2 LYS 46 2HD LYS 46 -21.341 -12.929 -3.315 357 HD3 LYS 46 3HD LYS 46 -21.922 -11.265 -3.223 358 HE2 LYS 46 2HE LYS 46 -21.304 -12.501 -5.876 359 HE3 LYS 46 3HE LYS 46 -22.833 -12.853 -5.071 360 HZ1 LYS 46 3HZ LYS 46 -22.262 -10.061 -5.073 361 HZ2 LYS 46 1HZ LYS 46 -23.630 -10.878 -5.643 362 HZ3 LYS 46 2HZ LYS 46 -22.283 -10.682 -6.646 363 H GLY 47 H GLY 47 -15.982 -13.901 -4.029 364 HA2 GLY 47 2HA GLY 47 -16.731 -16.517 -3.116 365 HA3 GLY 47 3HA GLY 47 -15.275 -16.100 -4.008 366 H ALA 48 H ALA 48 -14.401 -14.092 -2.101 367 HA ALA 48 HA ALA 48 -12.710 -15.562 -0.506 368 HB1 ALA 48 1HB ALA 48 -12.516 -13.475 0.887 369 HB2 ALA 48 2HB ALA 48 -12.259 -13.259 -0.845 370 HB3 ALA 48 3HB ALA 48 -13.791 -12.781 -0.114 371 H ASN 49 H ASN 49 -12.904 -16.708 1.308 372 HA ASN 49 HA ASN 49 -15.416 -17.235 2.471 373 HB2 ASN 49 2HB ASN 49 -12.598 -17.984 3.044 374 HB3 ASN 49 3HB ASN 49 -13.752 -18.163 4.362 375 HD21 ASN 49 1HD2 ASN 49 -15.828 -19.286 3.701 376 HD22 ASN 49 2HD2 ASN 49 -15.655 -20.683 2.698 377 H GLU 50 H GLU 50 -15.887 -16.990 4.833 378 HA GLU 50 HA GLU 50 -15.757 -14.228 5.539 379 HB2 GLU 50 2HB GLU 50 -16.888 -16.679 6.857 380 HB3 GLU 50 3HB GLU 50 -16.836 -15.142 7.710 381 HG2 GLU 50 2HG GLU 50 -18.017 -15.184 4.989 382 HG3 GLU 50 3HG GLU 50 -18.940 -15.898 6.310 383 H SER 51 H SER 51 -14.032 -17.113 6.492 384 HA SER 51 HA SER 51 -12.801 -15.965 8.803 385 HB2 SER 51 2HB SER 51 -12.404 -18.480 7.217 386 HB3 SER 51 3HB SER 51 -11.196 -17.999 8.408 387 HG SER 51 HG SER 51 -12.692 -19.296 9.427 388 H GLU 52 H GLU 52 -11.778 -16.540 5.458 389 HA GLU 52 HA GLU 52 -9.134 -15.765 5.619 390 HB2 GLU 52 2HB GLU 52 -11.044 -15.198 3.345 391 HB3 GLU 52 3HB GLU 52 -9.289 -15.208 3.238 392 HG2 GLU 52 2HG GLU 52 -9.210 -17.558 3.672 393 HG3 GLU 52 3HG GLU 52 -10.940 -17.600 4.011 394 H LYS 53 H LYS 53 -11.968 -13.706 5.004 395 HA LYS 53 HA LYS 53 -10.568 -11.278 4.799 396 HB2 LYS 53 2HB LYS 53 -12.746 -11.178 3.993 397 HB3 LYS 53 3HB LYS 53 -13.409 -12.021 5.387 398 HG2 LYS 53 2HG LYS 53 -12.180 -9.368 5.861 399 HG3 LYS 53 3HG LYS 53 -13.725 -9.415 5.009 400 HD2 LYS 53 2HD LYS 53 -13.841 -11.192 7.241 401 HD3 LYS 53 3HD LYS 53 -13.251 -9.621 7.789 402 HE2 LYS 53 2HE LYS 53 -15.184 -8.586 6.562 403 HE3 LYS 53 3HE LYS 53 -15.805 -10.216 6.306 404 HZ1 LYS 53 3HZ LYS 53 -15.791 -10.497 8.750 405 HZ2 LYS 53 1HZ LYS 53 -16.852 -9.289 8.222 406 HZ3 LYS 53 2HZ LYS 53 -15.367 -8.867 8.913 407 H GLU 54 H GLU 54 -11.645 -13.126 7.548 408 HA GLU 54 HA GLU 54 -11.329 -11.001 9.449 409 HB2 GLU 54 2HB GLU 54 -11.530 -13.990 9.865 410 HB3 GLU 54 3HB GLU 54 -11.614 -12.780 11.138 411 HG2 GLU 54 2HG GLU 54 -13.515 -12.258 9.018 412 HG3 GLU 54 3HG GLU 54 -13.735 -13.853 9.734 413 H ALA 55 H ALA 55 -9.512 -14.010 8.837 414 HA ALA 55 HA ALA 55 -7.378 -13.423 10.566 415 HB1 ALA 55 1HB ALA 55 -6.370 -15.328 9.762 416 HB2 ALA 55 2HB ALA 55 -8.059 -15.638 9.359 417 HB3 ALA 55 3HB ALA 55 -6.946 -15.068 8.115 418 H ALA 56 H ALA 56 -7.675 -12.995 7.044 419 HA ALA 56 HA ALA 56 -5.134 -11.900 6.609 420 HB1 ALA 56 1HB ALA 56 -5.846 -11.408 4.465 421 HB2 ALA 56 2HB ALA 56 -6.934 -12.717 4.927 422 HB3 ALA 56 3HB ALA 56 -7.493 -11.045 4.983 423 H ALA 57 H ALA 57 -8.034 -10.508 7.903 424 HA ALA 57 HA ALA 57 -7.325 -7.775 7.467 425 HB1 ALA 57 1HB ALA 57 -9.091 -7.575 9.453 426 HB2 ALA 57 2HB ALA 57 -9.568 -7.893 7.785 427 HB3 ALA 57 3HB ALA 57 -9.449 -9.223 8.936 428 H GLU 58 H GLU 58 -7.075 -10.000 10.219 429 HA GLU 58 HA GLU 58 -5.920 -8.047 11.961 430 HB2 GLU 58 2HB GLU 58 -6.222 -11.039 12.099 431 HB3 GLU 58 3HB GLU 58 -5.341 -10.143 13.328 432 HG2 GLU 58 2HG GLU 58 -7.840 -8.861 12.916 433 HG3 GLU 58 3HG GLU 58 -8.125 -10.589 13.121 434 H THR 59 H THR 59 -4.661 -10.659 9.942 435 HA THR 59 HA THR 59 -2.018 -10.688 10.759 436 HB THR 59 HB THR 59 -3.085 -11.067 7.955 437 HG1 THR 59 HG1 THR 59 -2.383 -13.023 9.902 438 HG21 THR 59 3HG2 THR 59 -0.948 -12.543 7.853 439 HG22 THR 59 1HG2 THR 59 -0.386 -11.521 9.175 440 HG23 THR 59 2HG2 THR 59 -0.802 -10.802 7.619 441 H ALA 60 H ALA 60 -3.679 -8.414 8.671 442 HA ALA 60 HA ALA 60 -1.359 -7.118 7.667 443 HB1 ALA 60 1HB ALA 60 -3.194 -5.207 7.395 444 HB2 ALA 60 2HB ALA 60 -3.124 -6.614 6.333 445 HB3 ALA 60 3HB ALA 60 -4.271 -6.576 7.673 446 H GLN 61 H GLN 61 -3.499 -6.504 10.417 447 HA GLN 61 HA GLN 61 -2.573 -4.038 11.235 448 HB2 GLN 61 2HB GLN 61 -3.607 -6.401 12.780 449 HB3 GLN 61 3HB GLN 61 -3.129 -4.918 13.596 450 HG2 GLN 61 2HG GLN 61 -4.730 -3.748 11.968 451 HG3 GLN 61 3HG GLN 61 -5.373 -5.362 11.670 452 HE21 GLN 61 1HE2 GLN 61 -5.389 -6.535 14.061 453 HE22 GLN 61 2HE2 GLN 61 -6.396 -5.678 15.173 454 H GLU 62 H GLU 62 -1.072 -7.174 11.561 455 HA GLU 62 HA GLU 62 0.817 -6.617 13.536 456 HB2 GLU 62 2HB GLU 62 0.876 -8.482 11.170 457 HB3 GLU 62 3HB GLU 62 2.196 -8.400 12.329 458 HG2 GLU 62 2HG GLU 62 -0.243 -8.665 13.763 459 HG3 GLU 62 3HG GLU 62 -0.202 -9.884 12.490 460 H TYR 63 H TYR 63 0.900 -6.028 10.056 461 HA TYR 63 HA TYR 63 3.597 -5.099 10.021 462 HB2 TYR 63 2HB TYR 63 2.693 -5.956 7.980 463 HB3 TYR 63 3HB TYR 63 1.325 -4.851 8.048 464 HD1 TYR 63 HD1 TYR 63 1.627 -2.466 7.521 465 HD2 TYR 63 HD2 TYR 63 4.827 -5.244 7.138 466 HE1 TYR 63 HE1 TYR 63 2.866 -0.841 6.152 467 HE2 TYR 63 HE2 TYR 63 6.075 -3.627 5.768 468 HH TYR 63 HH TYR 63 6.165 -1.488 5.069 469 H LEU 64 H LEU 64 0.436 -3.547 10.234 470 HA LEU 64 HA LEU 64 1.164 -0.897 9.893 471 HB2 LEU 64 2HB LEU 64 -0.988 -2.262 11.444 472 HB3 LEU 64 3HB LEU 64 -0.766 -0.523 11.622 473 HG LEU 64 HG LEU 64 -2.531 -1.293 9.972 474 HD11 LEU 64 1HD1 LEU 64 -0.958 0.301 8.223 475 HD12 LEU 64 2HD1 LEU 64 -0.666 0.835 9.878 476 HD13 LEU 64 3HD1 LEU 64 -2.311 0.787 9.245 477 HD21 LEU 64 3HD2 LEU 64 -0.057 -2.050 8.423 478 HD22 LEU 64 1HD2 LEU 64 -1.663 -1.867 7.716 479 HD23 LEU 64 2HD2 LEU 64 -1.370 -3.116 8.927 480 H ARG 65 H ARG 65 1.588 -2.992 12.656 481 HA ARG 65 HA ARG 65 2.092 -1.077 14.631 482 HB2 ARG 65 2HB ARG 65 3.326 -3.823 14.352 483 HB3 ARG 65 3HB ARG 65 3.270 -2.863 15.824 484 HG2 ARG 65 2HG ARG 65 0.628 -3.165 14.750 485 HG3 ARG 65 3HG ARG 65 1.401 -4.741 14.928 486 HD2 ARG 65 2HD ARG 65 1.709 -2.847 17.178 487 HD3 ARG 65 3HD ARG 65 0.095 -3.506 16.918 488 HE ARG 65 HE ARG 65 1.833 -5.653 16.849 489 HH11 ARG 65 1HH1 ARG 65 0.885 -3.202 19.132 490 HH12 ARG 65 2HH1 ARG 65 1.170 -4.199 20.520 491 HH21 ARG 65 1HH2 ARG 65 2.212 -6.976 18.667 492 HH22 ARG 65 2HH2 ARG 65 1.926 -6.346 20.254 493 H SER 66 H SER 66 3.948 -2.017 11.908 494 HA SER 66 HA SER 66 6.558 -1.601 12.689 495 HB2 SER 66 2HB SER 66 7.038 -1.051 10.360 496 HB3 SER 66 3HB SER 66 5.873 -2.372 10.436 497 HG SER 66 HG SER 66 5.417 -0.570 8.932 498 H HIS 67 H HIS 67 4.138 0.804 11.752 499 HA HIS 67 HA HIS 67 5.846 2.873 12.957 500 HB2 HIS 67 2HB HIS 67 4.585 2.835 10.256 501 HB3 HIS 67 3HB HIS 67 4.636 4.369 11.119 502 HD1 HIS 67 HD1 HIS 67 6.730 5.675 10.874 503 HD2 HIS 67 HD2 HIS 67 7.283 1.660 9.960 504 HE1 HIS 67 HE1 HIS 67 9.093 5.496 10.031 505 HA PRO 68 HA PRO 68 2.325 4.185 15.219 506 HB2 PRO 68 2HB PRO 68 2.612 6.884 15.236 507 HB3 PRO 68 3HB PRO 68 3.654 5.802 16.167 508 HG2 PRO 68 2HG PRO 68 4.165 7.115 13.525 509 HG3 PRO 68 3HG PRO 68 5.256 6.926 14.911 510 HD2 PRO 68 2HD PRO 68 5.377 5.324 12.731 511 HD3 PRO 68 3HD PRO 68 5.778 4.749 14.362 512 H GLY 69 H GLY 69 2.436 7.093 13.276 513 HA2 GLY 69 2HA GLY 69 1.028 7.187 11.196 514 HA3 GLY 69 3HA GLY 69 -0.194 6.358 12.148 515 H SER 70 H SER 70 -0.743 8.746 10.874 516 HA SER 70 HA SER 70 -0.707 10.752 13.020 517 HB2 SER 70 2HB SER 70 -0.994 10.929 10.035 518 HB3 SER 70 3HB SER 70 -1.586 12.237 11.060 519 HG SER 70 HG SER 70 0.810 12.020 10.220 520 H ARG 71 H ARG 71 -2.997 10.139 10.371 521 HA ARG 71 HA ARG 71 -5.181 10.349 12.326 522 HB2 ARG 71 2HB ARG 71 -4.906 11.079 9.450 523 HB3 ARG 71 3HB ARG 71 -6.492 10.582 10.025 524 HG2 ARG 71 2HG ARG 71 -6.314 12.328 11.798 525 HG3 ARG 71 3HG ARG 71 -4.833 12.885 11.017 526 HD2 ARG 71 2HD ARG 71 -6.561 12.782 8.914 527 HD3 ARG 71 3HD ARG 71 -7.637 13.243 10.233 528 HE ARG 71 HE ARG 71 -5.303 14.832 10.283 529 HH11 ARG 71 1HH1 ARG 71 -8.246 14.367 8.482 530 HH12 ARG 71 2HH1 ARG 71 -8.329 16.011 7.942 531 HH21 ARG 71 1HH2 ARG 71 -5.401 16.999 9.579 532 HH22 ARG 71 2HH2 ARG 71 -6.710 17.507 8.565 533 H ASP 72 H ASP 72 -3.532 7.934 11.593 534 HA ASP 72 HA ASP 72 -5.031 6.138 10.056 535 HB2 ASP 72 2HB ASP 72 -2.929 5.854 12.163 536 HB3 ASP 72 3HB ASP 72 -3.811 4.418 11.649 537 H LEU 73 H LEU 73 -5.559 7.370 13.212 538 HA LEU 73 HA LEU 73 -7.337 5.197 13.979 539 HB2 LEU 73 2HB LEU 73 -6.559 7.747 15.383 540 HB3 LEU 73 3HB LEU 73 -7.640 6.527 16.054 541 HG LEU 73 HG LEU 73 -5.083 5.408 15.241 542 HD11 LEU 73 1HD1 LEU 73 -3.730 7.021 15.959 543 HD12 LEU 73 2HD1 LEU 73 -4.301 6.644 17.584 544 HD13 LEU 73 3HD1 LEU 73 -5.064 7.937 16.660 545 HD21 LEU 73 3HD2 LEU 73 -6.671 4.227 16.634 546 HD22 LEU 73 1HD2 LEU 73 -6.607 5.511 17.842 547 HD23 LEU 73 2HD2 LEU 73 -5.183 4.516 17.537 548 H ASP 74 H ASP 74 -7.543 8.705 13.414 549 HA ASP 74 HA ASP 74 -10.364 8.834 13.650 550 HB2 ASP 74 2HB ASP 74 -8.342 10.686 12.388 551 HB3 ASP 74 3HB ASP 74 -10.062 11.057 12.460 552 H THR 75 H THR 75 -8.297 7.755 11.159 553 HA THR 75 HA THR 75 -10.526 7.822 9.230 554 HB THR 75 HB THR 75 -7.591 7.609 8.545 555 HG1 THR 75 HG1 THR 75 -9.246 9.903 8.250 556 HG21 THR 75 3HG2 THR 75 -9.826 7.002 7.043 557 HG22 THR 75 1HG2 THR 75 -8.224 7.375 6.409 558 HG23 THR 75 2HG2 THR 75 -9.437 8.648 6.546 559 HA PRO 76 HA PRO 76 -10.084 3.384 10.189 560 HB2 PRO 76 2HB PRO 76 -12.649 2.781 9.536 561 HB3 PRO 76 3HB PRO 76 -12.186 3.427 11.115 562 HG2 PRO 76 2HG PRO 76 -13.342 4.852 8.749 563 HG3 PRO 76 3HG PRO 76 -13.750 5.021 10.466 564 HD2 PRO 76 2HD PRO 76 -12.146 6.777 9.170 565 HD3 PRO 76 3HD PRO 76 -11.943 6.388 10.891 566 H ILE 77 H ILE 77 -10.624 1.446 8.819 567 HA ILE 77 HA ILE 77 -9.660 1.871 6.164 568 HB ILE 77 HB ILE 77 -10.620 -0.581 7.621 569 HG12 ILE 77 2HG1 ILE 77 -7.939 -0.574 6.487 570 HG13 ILE 77 3HG1 ILE 77 -8.193 0.781 7.581 571 HG21 ILE 77 1HG2 ILE 77 -10.016 -0.212 4.730 572 HG22 ILE 77 2HG2 ILE 77 -9.528 -1.713 5.515 573 HG23 ILE 77 3HG2 ILE 77 -11.224 -1.232 5.510 574 HD11 ILE 77 3HD1 ILE 77 -7.869 -2.048 8.150 575 HD12 ILE 77 1HD1 ILE 77 -7.645 -0.645 9.194 576 HD13 ILE 77 2HD1 ILE 77 -9.255 -1.329 8.970 577 H ILE 78 H ILE 78 -10.720 1.767 4.234 578 HA ILE 78 HA ILE 78 -13.605 2.098 4.332 579 HB ILE 78 HB ILE 78 -11.567 2.463 2.151 580 HG12 ILE 78 2HG1 ILE 78 -13.299 4.677 2.474 581 HG13 ILE 78 3HG1 ILE 78 -12.847 4.150 4.092 582 HG21 ILE 78 1HG2 ILE 78 -13.589 3.297 0.810 583 HG22 ILE 78 2HG2 ILE 78 -13.335 1.557 0.929 584 HG23 ILE 78 3HG2 ILE 78 -14.554 2.341 1.934 585 HD11 ILE 78 3HD1 ILE 78 -11.391 5.906 2.995 586 HD12 ILE 78 1HD1 ILE 78 -10.569 4.507 3.685 587 HD13 ILE 78 2HD1 ILE 78 -10.812 4.616 1.942 588 H VAL 79 H VAL 79 -14.645 0.192 4.525 589 HA VAL 79 HA VAL 79 -13.810 -2.264 3.449 590 HB VAL 79 HB VAL 79 -16.590 -1.367 4.219 591 HG11 VAL 79 1HG1 VAL 79 -16.866 -3.916 4.515 592 HG12 VAL 79 2HG1 VAL 79 -16.971 -3.236 2.889 593 HG13 VAL 79 3HG1 VAL 79 -15.490 -4.035 3.419 594 HG21 VAL 79 3HG2 VAL 79 -15.507 -1.294 6.219 595 HG22 VAL 79 1HG2 VAL 79 -15.866 -3.020 6.175 596 HG23 VAL 79 2HG2 VAL 79 -14.265 -2.440 5.715 597 H VAL 80 H VAL 80 -14.287 -3.343 1.582 598 HA VAL 80 HA VAL 80 -15.828 -1.874 -0.455 599 HB VAL 80 HB VAL 80 -13.376 -3.544 -1.015 600 HG11 VAL 80 1HG1 VAL 80 -13.525 -2.523 -3.249 601 HG12 VAL 80 2HG1 VAL 80 -14.954 -3.482 -2.858 602 HG13 VAL 80 3HG1 VAL 80 -15.020 -1.721 -2.768 603 HG21 VAL 80 3HG2 VAL 80 -12.330 -1.321 -1.567 604 HG22 VAL 80 1HG2 VAL 80 -13.700 -0.562 -0.755 605 HG23 VAL 80 2HG2 VAL 80 -12.613 -1.617 0.149 606 H LYS 81 H LYS 81 -17.001 -3.120 -1.942 607 HA LYS 81 HA LYS 81 -17.439 -5.908 -1.097 608 HB2 LYS 81 2HB LYS 81 -19.274 -3.745 -1.969 609 HB3 LYS 81 3HB LYS 81 -19.661 -5.373 -2.510 610 HG2 LYS 81 2HG LYS 81 -19.254 -5.911 0.056 611 HG3 LYS 81 3HG LYS 81 -19.710 -4.213 0.214 612 HD2 LYS 81 2HD LYS 81 -21.859 -4.649 -0.226 613 HD3 LYS 81 3HD LYS 81 -21.452 -5.681 -1.599 614 HE2 LYS 81 2HE LYS 81 -22.574 -7.044 -0.009 615 HE3 LYS 81 3HE LYS 81 -20.866 -7.477 0.054 616 HZ1 LYS 81 3HZ LYS 81 -22.403 -6.832 2.188 617 HZ2 LYS 81 1HZ LYS 81 -21.578 -5.385 1.889 618 HZ3 LYS 81 2HZ LYS 81 -20.711 -6.812 2.161 619 H GLN 82 H GLN 82 -18.223 -7.365 -2.864 620 HA GLN 82 HA GLN 82 -16.408 -7.204 -5.084 621 HB2 GLN 82 2HB GLN 82 -17.297 -9.301 -3.767 622 HB3 GLN 82 3HB GLN 82 -18.608 -9.225 -4.936 623 HG2 GLN 82 2HG GLN 82 -15.689 -9.683 -5.437 624 HG3 GLN 82 3HG GLN 82 -17.051 -10.733 -5.823 625 HE21 GLN 82 1HE2 GLN 82 -14.857 -8.644 -7.086 626 HE22 GLN 82 2HE2 GLN 82 -15.684 -8.194 -8.535 627 H GLY 83 H GLY 83 -16.815 -5.974 -6.797 628 HA2 GLY 83 2HA GLY 83 -18.241 -5.944 -8.840 629 HA3 GLY 83 3HA GLY 83 -19.610 -5.806 -7.747 630 H PHE 84 H PHE 84 -16.867 -4.085 -6.725 631 HA PHE 84 HA PHE 84 -17.715 -1.624 -8.060 632 HB2 PHE 84 2HB PHE 84 -17.266 -1.668 -5.081 633 HB3 PHE 84 3HB PHE 84 -17.980 -0.388 -6.057 634 HD1 PHE 84 HD2 PHE 84 -20.263 -0.643 -6.950 635 HD2 PHE 84 HD1 PHE 84 -18.563 -3.486 -4.277 636 HE1 PHE 84 HE2 PHE 84 -22.506 -1.536 -6.479 637 HE2 PHE 84 HE1 PHE 84 -20.804 -4.384 -3.801 638 HZ PHE 84 HZ PHE 84 -22.779 -3.408 -4.902 639 H GLU 85 H GLU 85 -15.933 -0.939 -9.042 640 HA GLU 85 HA GLU 85 -13.387 -1.064 -7.562 641 HB2 GLU 85 2HB GLU 85 -13.393 -2.575 -9.494 642 HB3 GLU 85 3HB GLU 85 -13.821 -1.236 -10.549 643 HG2 GLU 85 2HG GLU 85 -11.391 -0.870 -8.926 644 HG3 GLU 85 3HG GLU 85 -11.312 -2.108 -10.179 645 HA PRO 86 HA PRO 86 -14.227 3.396 -8.093 646 HB2 PRO 86 2HB PRO 86 -12.848 4.126 -5.871 647 HB3 PRO 86 3HB PRO 86 -14.525 3.571 -5.822 648 HG2 PRO 86 2HG PRO 86 -12.010 2.055 -5.242 649 HG3 PRO 86 3HG PRO 86 -13.550 2.045 -4.363 650 HD2 PRO 86 2HD PRO 86 -12.852 0.089 -6.100 651 HD3 PRO 86 3HD PRO 86 -14.537 0.592 -5.855 652 HA PRO 87 HA PRO 87 -10.384 4.255 -10.109 653 HB2 PRO 87 2HB PRO 87 -10.715 6.930 -10.438 654 HB3 PRO 87 3HB PRO 87 -11.577 5.729 -11.407 655 HG2 PRO 87 2HG PRO 87 -12.522 7.270 -9.021 656 HG3 PRO 87 3HG PRO 87 -13.377 6.912 -10.533 657 HD2 PRO 87 2HD PRO 87 -13.810 5.522 -8.250 658 HD3 PRO 87 3HD PRO 87 -13.938 4.781 -9.859 659 H THR 88 H THR 88 -11.324 5.568 -7.079 660 HA THR 88 HA THR 88 -8.992 7.152 -6.602 661 HB THR 88 HB THR 88 -9.815 7.535 -4.450 662 HG1 THR 88 HG1 THR 88 -11.406 5.178 -4.658 663 HG21 THR 88 3HG2 THR 88 -11.356 8.303 -6.260 664 HG22 THR 88 1HG2 THR 88 -12.149 8.037 -4.709 665 HG23 THR 88 2HG2 THR 88 -12.312 6.844 -5.998 666 H PHE 89 H PHE 89 -10.052 3.933 -5.520 667 HA PHE 89 HA PHE 89 -7.759 3.345 -3.999 668 HB2 PHE 89 2HB PHE 89 -9.408 1.860 -3.470 669 HB3 PHE 89 3HB PHE 89 -10.034 1.808 -5.114 670 HD1 PHE 89 HD1 PHE 89 -7.588 0.411 -2.780 671 HD2 PHE 89 HD2 PHE 89 -9.181 0.234 -6.723 672 HE1 PHE 89 HE1 PHE 89 -6.474 -1.755 -3.129 673 HE2 PHE 89 HE2 PHE 89 -8.071 -1.933 -7.078 674 HZ PHE 89 HZ PHE 89 -6.716 -2.931 -5.279 675 H THR 90 H THR 90 -8.614 2.534 -7.349 676 HA THR 90 HA THR 90 -6.453 0.982 -8.049 677 HB THR 90 HB THR 90 -7.339 3.019 -10.034 678 HG1 THR 90 HG1 THR 90 -9.337 2.644 -9.318 679 HG21 THR 90 3HG2 THR 90 -7.170 0.012 -10.205 680 HG22 THR 90 1HG2 THR 90 -5.825 1.093 -10.567 681 HG23 THR 90 2HG2 THR 90 -7.294 1.157 -11.540 682 H GLY 91 H GLY 91 -6.632 4.485 -7.755 683 HA2 GLY 91 2HA GLY 91 -4.267 5.212 -9.026 684 HA3 GLY 91 3HA GLY 91 -4.986 6.082 -7.678 685 H TRP 92 H TRP 92 -4.707 3.534 -6.041 686 HA TRP 92 HA TRP 92 -2.187 4.200 -4.883 687 HB2 TRP 92 2HB TRP 92 -4.045 1.875 -4.339 688 HB3 TRP 92 3HB TRP 92 -2.657 2.313 -3.347 689 HD1 TRP 92 HD1 TRP 92 -6.180 2.582 -3.135 690 HE1 TRP 92 HE1 TRP 92 -6.952 4.632 -1.785 691 HE3 TRP 92 HE3 TRP 92 -1.828 5.265 -3.176 692 HZ2 TRP 92 HZ2 TRP 92 -5.861 7.066 -0.860 693 HZ3 TRP 92 HZ3 TRP 92 -1.777 7.445 -2.036 694 HH2 TRP 92 HH2 TRP 92 -3.752 8.325 -0.903 695 H PHE 93 H PHE 93 -3.191 2.026 -7.332 696 HA PHE 93 HA PHE 93 -0.964 0.215 -7.053 697 HB2 PHE 93 2HB PHE 93 -3.245 0.509 -8.965 698 HB3 PHE 93 3HB PHE 93 -1.854 -0.459 -9.440 699 HD1 PHE 93 HD1 PHE 93 -3.696 -0.055 -6.221 700 HD2 PHE 93 HD2 PHE 93 -2.361 -2.689 -9.287 701 HE1 PHE 93 HE1 PHE 93 -4.606 -1.968 -4.969 702 HE2 PHE 93 HE2 PHE 93 -3.269 -4.606 -8.040 703 HZ PHE 93 HZ PHE 93 -4.394 -4.247 -5.879 704 H MET 94 H MET 94 0.357 -0.216 -9.135 705 HA MET 94 HA MET 94 1.768 2.219 -9.732 706 HB2 MET 94 2HB MET 94 2.339 -0.370 -11.117 707 HB3 MET 94 3HB MET 94 3.457 0.877 -10.582 708 HG2 MET 94 2HG MET 94 2.481 0.074 -8.209 709 HG3 MET 94 3HG MET 94 2.344 -1.424 -9.128 710 HE1 MET 94 3HE MET 94 6.029 -1.663 -10.519 711 HE2 MET 94 1HE MET 94 4.781 -2.815 -10.045 712 HE3 MET 94 2HE MET 94 4.373 -1.454 -11.089 713 H ALA 95 H ALA 95 -0.793 0.493 -11.143 714 HA ALA 95 HA ALA 95 -0.353 1.802 -13.744 715 HB1 ALA 95 1HB ALA 95 -1.392 0.067 -14.808 716 HB2 ALA 95 2HB ALA 95 -0.690 -0.792 -13.436 717 HB3 ALA 95 3HB ALA 95 -2.394 -0.336 -13.413 718 H TRP 96 H TRP 96 -1.379 3.700 -13.785 719 HA TRP 96 HA TRP 96 -3.510 4.497 -12.198 720 HB2 TRP 96 2HB TRP 96 -2.325 5.466 -14.753 721 HB3 TRP 96 3HB TRP 96 -3.903 6.100 -14.295 722 HD1 TRP 96 HD1 TRP 96 -0.420 6.964 -13.969 723 HE1 TRP 96 HE1 TRP 96 -0.004 8.553 -11.987 724 HE3 TRP 96 HE3 TRP 96 -4.853 6.356 -11.497 725 HZ2 TRP 96 HZ2 TRP 96 -1.374 9.431 -9.681 726 HZ3 TRP 96 HZ3 TRP 96 -5.221 7.607 -9.410 727 HH2 TRP 96 HH2 TRP 96 -3.516 9.111 -8.522 728 H ASP 97 H ASP 97 -5.731 5.046 -12.890 729 HA ASP 97 HA ASP 97 -6.824 2.950 -14.652 730 HB2 ASP 97 2HB ASP 97 -7.354 3.086 -12.057 731 HB3 ASP 97 3HB ASP 97 -8.528 4.283 -12.596 732 HA PRO 98 HA PRO 98 -8.289 6.188 -17.263 733 HB2 PRO 98 2HB PRO 98 -10.145 4.763 -18.640 734 HB3 PRO 98 3HB PRO 98 -8.407 4.589 -18.909 735 HG2 PRO 98 2HG PRO 98 -10.255 2.875 -17.294 736 HG3 PRO 98 3HG PRO 98 -8.962 2.387 -18.406 737 HD2 PRO 98 2HD PRO 98 -8.641 2.408 -15.717 738 HD3 PRO 98 3HD PRO 98 -7.309 2.748 -16.841 739 H LEU 99 H LEU 99 -10.129 4.654 -14.860 740 HA LEU 99 HA LEU 99 -12.558 6.163 -15.398 741 HB2 LEU 99 2HB LEU 99 -11.812 4.183 -13.257 742 HB3 LEU 99 3HB LEU 99 -13.358 5.027 -13.302 743 HG LEU 99 HG LEU 99 -12.400 3.272 -15.551 744 HD11 LEU 99 1HD1 LEU 99 -14.452 2.005 -14.089 745 HD12 LEU 99 2HD1 LEU 99 -13.203 2.472 -12.935 746 HD13 LEU 99 3HD1 LEU 99 -12.788 1.469 -14.325 747 HD21 LEU 99 3HD2 LEU 99 -15.193 4.081 -14.776 748 HD22 LEU 99 1HD2 LEU 99 -14.658 3.313 -16.271 749 HD23 LEU 99 2HD2 LEU 99 -14.209 4.984 -15.928 750 H CYS 100 H CYS 100 -9.776 7.175 -14.380 751 HA CYS 100 HA CYS 100 -10.267 8.303 -11.822 752 HB2 CYS 100 2HB CYS 100 -8.202 8.612 -13.940 753 HB3 CYS 100 3HB CYS 100 -8.349 9.915 -12.766 754 HG CYS 100 HG CYS 100 -8.200 7.832 -10.637 755 H TRP 101 H TRP 101 -11.377 9.092 -14.924 756 HA TRP 101 HA TRP 101 -11.804 11.908 -14.307 757 HB2 TRP 101 2HB TRP 101 -11.990 10.214 -16.746 758 HB3 TRP 101 3HB TRP 101 -13.042 11.625 -16.663 759 HD1 TRP 101 HD1 TRP 101 -12.007 13.768 -17.589 760 HE1 TRP 101 HE1 TRP 101 -9.621 14.631 -18.022 761 HE3 TRP 101 HE3 TRP 101 -9.361 9.856 -15.631 762 HZ2 TRP 101 HZ2 TRP 101 -6.968 13.768 -17.590 763 HZ3 TRP 101 HZ3 TRP 101 -6.903 9.953 -15.681 764 HH2 TRP 101 HH2 TRP 101 -5.733 11.869 -16.641 765 H SER 102 H SER 102 -13.214 9.392 -13.120 766 HA SER 102 HA SER 102 -15.950 9.628 -13.844 767 HB2 SER 102 2HB SER 102 -16.384 8.049 -12.161 768 HB3 SER 102 3HB SER 102 -14.740 7.663 -12.669 769 HG SER 102 HG SER 102 -15.632 8.919 -10.318 770 H ASP 103 H ASP 103 -13.931 11.620 -12.051 771 HA ASP 103 HA ASP 103 -16.071 12.667 -10.360 772 HB2 ASP 103 2HB ASP 103 -13.178 13.536 -10.510 773 HB3 ASP 103 3HB ASP 103 -14.348 13.978 -9.270 774 H ARG 104 H ARG 104 -14.309 13.402 -13.250 775 HA ARG 104 HA ARG 104 -14.614 16.144 -13.455 776 HB2 ARG 104 2HB ARG 104 -14.383 13.914 -15.410 777 HB3 ARG 104 3HB ARG 104 -14.914 15.474 -16.024 778 HG2 ARG 104 2HG ARG 104 -12.378 14.995 -14.472 779 HG3 ARG 104 3HG ARG 104 -12.491 15.151 -16.227 780 HD2 ARG 104 2HD ARG 104 -12.503 17.373 -16.099 781 HD3 ARG 104 3HD ARG 104 -13.804 17.353 -14.910 782 HE ARG 104 HE ARG 104 -11.329 16.663 -13.711 783 HH11 ARG 104 1HH1 ARG 104 -13.141 19.371 -14.937 784 HH12 ARG 104 2HH1 ARG 104 -12.367 20.525 -13.902 785 HH21 ARG 104 1HH2 ARG 104 -10.303 18.172 -12.343 786 HH22 ARG 104 2HH2 ARG 104 -10.752 19.842 -12.428 787 H LYS 105 H LYS 105 -16.925 13.580 -14.198 788 HA LYS 105 HA LYS 105 -18.951 15.582 -14.880 789 HB2 LYS 105 2HB LYS 105 -19.007 12.568 -15.122 790 HB3 LYS 105 3HB LYS 105 -20.295 13.649 -15.637 791 HG2 LYS 105 2HG LYS 105 -17.513 13.891 -16.726 792 HG3 LYS 105 3HG LYS 105 -18.691 12.771 -17.414 793 HD2 LYS 105 2HD LYS 105 -19.566 15.572 -16.986 794 HD3 LYS 105 3HD LYS 105 -18.408 15.277 -18.285 795 HE2 LYS 105 2HE LYS 105 -19.970 13.468 -19.097 796 HE3 LYS 105 3HE LYS 105 -21.149 14.079 -17.938 797 HZ1 LYS 105 3HZ LYS 105 -20.487 16.327 -19.184 798 HZ2 LYS 105 1HZ LYS 105 -21.757 15.330 -19.689 799 HZ3 LYS 105 2HZ LYS 105 -20.250 15.229 -20.449 800 H SER 106 H SER 106 -17.889 14.835 -12.120 801 HA SER 106 HA SER 106 -20.439 14.038 -10.888 802 HB2 SER 106 2HB SER 106 -19.276 13.046 -9.161 803 HB3 SER 106 3HB SER 106 -18.121 12.823 -10.474 804 HG SER 106 HG SER 106 -17.014 13.682 -8.753 805 H TYR 107 H TYR 107 -21.289 15.226 -9.167 806 HA TYR 107 HA TYR 107 -20.063 17.852 -8.671 807 HB2 TYR 107 2HB TYR 107 -22.359 17.479 -10.181 808 HB3 TYR 107 3HB TYR 107 -22.978 17.907 -8.590 809 HD1 TYR 107 HD1 TYR 107 -20.262 19.032 -10.908 810 HD2 TYR 107 HD2 TYR 107 -23.367 20.143 -8.220 811 HE1 TYR 107 HE1 TYR 107 -19.811 21.404 -11.377 812 HE2 TYR 107 HE2 TYR 107 -22.925 22.518 -8.682 813 HH TYR 107 HH TYR 107 -20.170 23.628 -10.128 Start of MODEL 10 1 HA PRO 1 HA PRO 1 2.318 -0.605 -0.343 2 HB2 PRO 1 2HB PRO 1 0.139 -0.224 -1.917 3 HB3 PRO 1 3HB PRO 1 0.714 0.986 -0.764 4 HG2 PRO 1 2HG PRO 1 1.149 0.831 -3.722 5 HG3 PRO 1 3HG PRO 1 0.754 2.241 -2.721 6 HD2 PRO 1 2HD PRO 1 3.269 1.723 -3.580 7 HD3 PRO 1 3HD PRO 1 2.934 2.518 -2.028 8 H ARG 2 H ARG 2 1.987 -2.739 -0.427 9 HA ARG 2 HA ARG 2 1.967 -4.045 -3.070 10 HB2 ARG 2 2HB ARG 2 3.088 -5.083 -0.460 11 HB3 ARG 2 3HB ARG 2 2.974 -6.018 -1.946 12 HG2 ARG 2 2HG ARG 2 5.027 -5.307 -2.397 13 HG3 ARG 2 3HG ARG 2 4.305 -3.729 -2.723 14 HD2 ARG 2 2HD ARG 2 6.183 -3.560 -1.160 15 HD3 ARG 2 3HD ARG 2 4.665 -3.068 -0.410 16 HE ARG 2 HE ARG 2 4.921 -4.767 1.087 17 HH11 ARG 2 1HH1 ARG 2 6.883 -5.444 -1.708 18 HH12 ARG 2 2HH1 ARG 2 7.619 -6.850 -1.012 19 HH21 ARG 2 1HH2 ARG 2 5.882 -6.617 2.013 20 HH22 ARG 2 2HH2 ARG 2 7.048 -7.517 1.104 21 H LEU 3 H LEU 3 1.076 -6.430 -2.728 22 HA LEU 3 HA LEU 3 -1.530 -6.112 -1.404 23 HB2 LEU 3 2HB LEU 3 -0.621 -7.478 -3.869 24 HB3 LEU 3 3HB LEU 3 -1.915 -8.252 -2.956 25 HG LEU 3 HG LEU 3 -1.987 -5.453 -4.083 26 HD11 LEU 3 1HD1 LEU 3 -2.135 -7.622 -5.583 27 HD12 LEU 3 2HD1 LEU 3 -3.182 -6.231 -5.859 28 HD13 LEU 3 3HD1 LEU 3 -3.792 -7.632 -4.981 29 HD21 LEU 3 3HD2 LEU 3 -4.530 -6.550 -3.369 30 HD22 LEU 3 1HD2 LEU 3 -3.753 -5.075 -2.795 31 HD23 LEU 3 2HD2 LEU 3 -3.451 -6.608 -1.975 32 H PHE 4 H PHE 4 -2.503 -8.357 -0.808 33 HA PHE 4 HA PHE 4 -0.566 -10.269 0.174 34 HB2 PHE 4 2HB PHE 4 -2.280 -8.644 2.061 35 HB3 PHE 4 3HB PHE 4 -1.438 -10.120 2.521 36 HD1 PHE 4 HD2 PHE 4 1.008 -10.172 2.629 37 HD2 PHE 4 HD1 PHE 4 -1.115 -6.582 1.778 38 HE1 PHE 4 HE2 PHE 4 3.027 -8.861 3.137 39 HE2 PHE 4 HE1 PHE 4 0.902 -5.266 2.284 40 HZ PHE 4 HZ PHE 4 2.976 -6.405 2.965 41 H GLU 5 H GLU 5 -1.507 -11.950 -0.853 42 HA GLU 5 HA GLU 5 -4.386 -12.322 -0.733 43 HB2 GLU 5 2HB GLU 5 -2.150 -13.462 -2.305 44 HB3 GLU 5 3HB GLU 5 -3.500 -14.542 -1.984 45 HG2 GLU 5 2HG GLU 5 -4.922 -13.393 -3.314 46 HG3 GLU 5 3HG GLU 5 -4.167 -11.838 -2.968 47 H CYS 6 H CYS 6 -5.225 -13.213 1.029 48 HA CYS 6 HA CYS 6 -3.841 -15.525 2.216 49 HB2 CYS 6 2HB CYS 6 -5.491 -13.648 3.882 50 HB3 CYS 6 3HB CYS 6 -4.254 -14.786 4.399 51 HG CYS 6 HG CYS 6 -2.832 -12.640 4.876 52 H SER 7 H SER 7 -5.032 -17.249 1.746 53 HA SER 7 HA SER 7 -7.907 -17.155 2.313 54 HB2 SER 7 2HB SER 7 -7.188 -16.961 -0.232 55 HB3 SER 7 3HB SER 7 -7.012 -18.709 -0.076 56 HG SER 7 HG SER 7 -9.108 -18.239 -0.719 57 H ASN 8 H ASN 8 -8.861 -19.237 2.720 58 HA ASN 8 HA ASN 8 -6.947 -21.073 3.934 59 HB2 ASN 8 2HB ASN 8 -9.015 -22.120 4.918 60 HB3 ASN 8 3HB ASN 8 -8.754 -20.439 5.374 61 HD21 ASN 8 1HD2 ASN 8 -10.581 -19.371 5.461 62 HD22 ASN 8 2HD2 ASN 8 -11.920 -19.543 4.383 63 H LYS 9 H LYS 9 -6.694 -23.189 3.354 64 HA LYS 9 HA LYS 9 -7.385 -23.901 0.676 65 HB2 LYS 9 2HB LYS 9 -6.252 -25.700 2.821 66 HB3 LYS 9 3HB LYS 9 -6.157 -25.932 1.080 67 HG2 LYS 9 2HG LYS 9 -4.951 -23.569 1.224 68 HG3 LYS 9 3HG LYS 9 -4.587 -24.153 2.850 69 HD2 LYS 9 2HD LYS 9 -4.076 -25.792 0.377 70 HD3 LYS 9 3HD LYS 9 -2.879 -24.683 1.051 71 HE2 LYS 9 2HE LYS 9 -2.248 -26.257 2.483 72 HE3 LYS 9 3HE LYS 9 -3.866 -26.259 3.182 73 HZ1 LYS 9 3HZ LYS 9 -3.883 -28.375 2.494 74 HZ2 LYS 9 1HZ LYS 9 -2.636 -28.147 1.373 75 HZ3 LYS 9 2HZ LYS 9 -4.224 -27.728 0.969 76 H THR 10 H THR 10 -8.181 -25.408 3.812 77 HA THR 10 HA THR 10 -10.777 -26.196 2.688 78 HB THR 10 HB THR 10 -10.648 -28.415 3.577 79 HG1 THR 10 HG1 THR 10 -8.562 -29.052 4.579 80 HG21 THR 10 3HG2 THR 10 -8.957 -29.386 2.207 81 HG22 THR 10 1HG2 THR 10 -7.983 -27.918 2.257 82 HG23 THR 10 2HG2 THR 10 -9.512 -27.932 1.378 83 H GLY 11 H GLY 11 -8.867 -26.290 5.708 84 HA2 GLY 11 2HA GLY 11 -11.171 -25.063 7.076 85 HA3 GLY 11 3HA GLY 11 -10.403 -26.492 7.752 86 H ARG 12 H ARG 12 -8.024 -24.739 6.293 87 HA ARG 12 HA ARG 12 -7.440 -23.227 8.754 88 HB2 ARG 12 2HB ARG 12 -5.468 -24.721 7.015 89 HB3 ARG 12 3HB ARG 12 -5.054 -23.734 8.411 90 HG2 ARG 12 2HG ARG 12 -6.959 -26.007 8.726 91 HG3 ARG 12 3HG ARG 12 -5.224 -26.316 8.637 92 HD2 ARG 12 2HD ARG 12 -5.351 -24.245 10.417 93 HD3 ARG 12 3HD ARG 12 -6.824 -25.140 10.788 94 HE ARG 12 HE ARG 12 -4.806 -27.015 10.636 95 HH11 ARG 12 1HH1 ARG 12 -5.523 -24.195 12.548 96 HH12 ARG 12 2HH1 ARG 12 -4.692 -24.776 13.953 97 HH21 ARG 12 1HH2 ARG 12 -3.710 -27.791 12.480 98 HH22 ARG 12 2HH2 ARG 12 -3.661 -26.821 13.913 99 H PHE 13 H PHE 13 -6.767 -21.163 8.517 100 HA PHE 13 HA PHE 13 -6.931 -20.008 5.868 101 HB2 PHE 13 2HB PHE 13 -7.998 -18.614 7.366 102 HB3 PHE 13 3HB PHE 13 -6.847 -18.945 8.657 103 HD1 PHE 13 HD2 PHE 13 -4.729 -17.755 8.772 104 HD2 PHE 13 HD1 PHE 13 -7.591 -16.895 5.741 105 HE1 PHE 13 HE2 PHE 13 -3.558 -15.651 8.267 106 HE2 PHE 13 HE1 PHE 13 -6.423 -14.790 5.230 107 HZ PHE 13 HZ PHE 13 -4.405 -14.165 6.495 108 H LEU 14 H LEU 14 -5.290 -19.085 4.721 109 HA LEU 14 HA LEU 14 -2.578 -19.363 5.841 110 HB2 LEU 14 2HB LEU 14 -3.707 -20.116 3.206 111 HB3 LEU 14 3HB LEU 14 -2.071 -19.460 3.226 112 HG LEU 14 HG LEU 14 -2.020 -21.883 3.233 113 HD11 LEU 14 1HD1 LEU 14 -0.313 -20.579 4.491 114 HD12 LEU 14 2HD1 LEU 14 -0.551 -22.221 5.088 115 HD13 LEU 14 3HD1 LEU 14 -1.251 -20.856 5.958 116 HD21 LEU 14 3HD2 LEU 14 -3.125 -22.154 5.945 117 HD22 LEU 14 1HD2 LEU 14 -3.277 -23.212 4.543 118 HD23 LEU 14 2HD2 LEU 14 -4.301 -21.783 4.683 119 H ALA 15 H ALA 15 -1.319 -17.604 5.827 120 HA ALA 15 HA ALA 15 -2.345 -15.206 4.466 121 HB1 ALA 15 1HB ALA 15 -1.452 -13.889 6.144 122 HB2 ALA 15 2HB ALA 15 -1.978 -15.320 7.031 123 HB3 ALA 15 3HB ALA 15 -0.275 -15.113 6.621 124 H THR 16 H THR 16 -1.298 -14.546 2.719 125 HA THR 16 HA THR 16 1.596 -15.027 2.523 126 HB THR 16 HB THR 16 -0.036 -15.177 0.029 127 HG1 THR 16 HG1 THR 16 -1.115 -16.737 1.092 128 HG21 THR 16 3HG2 THR 16 1.906 -17.112 -0.031 129 HG22 THR 16 1HG2 THR 16 2.659 -15.852 0.946 130 HG23 THR 16 2HG2 THR 16 2.075 -15.479 -0.676 131 H GLU 17 H GLU 17 2.727 -13.569 1.106 132 HA GLU 17 HA GLU 17 1.332 -10.993 0.822 133 HB2 GLU 17 2HB GLU 17 3.124 -10.686 2.321 134 HB3 GLU 17 3HB GLU 17 4.209 -11.681 1.361 135 HG2 GLU 17 2HG GLU 17 3.123 -9.185 0.164 136 HG3 GLU 17 3HG GLU 17 4.405 -9.069 1.368 137 H ILE 18 H ILE 18 1.551 -9.795 -1.068 138 HA ILE 18 HA ILE 18 2.872 -11.129 -3.330 139 HB ILE 18 HB ILE 18 0.123 -9.883 -3.453 140 HG12 ILE 18 2HG1 ILE 18 0.137 -12.059 -2.287 141 HG13 ILE 18 3HG1 ILE 18 -0.697 -12.151 -3.834 142 HG21 ILE 18 1HG2 ILE 18 2.075 -10.398 -5.463 143 HG22 ILE 18 2HG2 ILE 18 0.704 -11.479 -5.711 144 HG23 ILE 18 3HG2 ILE 18 0.451 -9.735 -5.642 145 HD11 ILE 18 3HD1 ILE 18 1.431 -13.738 -2.888 146 HD12 ILE 18 1HD1 ILE 18 0.615 -13.814 -4.449 147 HD13 ILE 18 2HD1 ILE 18 2.038 -12.793 -4.247 148 H VAL 19 H VAL 19 4.369 -9.796 -4.082 149 HA VAL 19 HA VAL 19 4.783 -7.168 -3.465 150 HB VAL 19 HB VAL 19 5.423 -8.390 -6.152 151 HG11 VAL 19 1HG1 VAL 19 7.344 -6.809 -6.065 152 HG12 VAL 19 2HG1 VAL 19 5.771 -6.016 -6.163 153 HG13 VAL 19 3HG1 VAL 19 6.629 -6.088 -4.624 154 HG21 VAL 19 3HG2 VAL 19 6.665 -9.852 -5.012 155 HG22 VAL 19 1HG2 VAL 19 7.695 -8.489 -4.573 156 HG23 VAL 19 2HG2 VAL 19 6.401 -9.001 -3.490 157 H ASP 20 H ASP 20 4.380 -5.174 -4.482 158 HA ASP 20 HA ASP 20 1.833 -4.569 -5.206 159 HB2 ASP 20 2HB ASP 20 3.644 -2.919 -4.725 160 HB3 ASP 20 3HB ASP 20 4.272 -3.194 -6.347 161 H PHE 21 H PHE 21 0.802 -5.918 -6.616 162 HA PHE 21 HA PHE 21 1.894 -6.101 -9.343 163 HB2 PHE 21 2HB PHE 21 0.299 -7.959 -7.654 164 HB3 PHE 21 3HB PHE 21 -0.025 -7.965 -9.384 165 HD1 PHE 21 HD2 PHE 21 3.289 -7.261 -7.973 166 HD2 PHE 21 HD1 PHE 21 0.769 -10.185 -9.764 167 HE1 PHE 21 HE2 PHE 21 5.239 -8.718 -8.328 168 HE2 PHE 21 HE1 PHE 21 2.714 -11.648 -10.122 169 HZ PHE 21 HZ PHE 21 4.954 -10.915 -9.405 170 H THR 22 H THR 22 -0.017 -6.486 -10.980 171 HA THR 22 HA THR 22 -1.769 -4.162 -10.691 172 HB THR 22 HB THR 22 -2.066 -4.196 -13.047 173 HG1 THR 22 HG1 THR 22 -0.750 -6.727 -13.074 174 HG21 THR 22 3HG2 THR 22 0.090 -3.317 -12.399 175 HG22 THR 22 1HG2 THR 22 0.262 -4.212 -13.908 176 HG23 THR 22 2HG2 THR 22 0.786 -4.937 -12.388 177 H GLN 23 H GLN 23 -3.897 -4.627 -12.170 178 HA GLN 23 HA GLN 23 -5.477 -6.370 -10.574 179 HB2 GLN 23 2HB GLN 23 -6.168 -5.037 -13.199 180 HB3 GLN 23 3HB GLN 23 -7.313 -5.753 -12.072 181 HG2 GLN 23 2HG GLN 23 -7.019 -4.064 -10.504 182 HG3 GLN 23 3HG GLN 23 -5.489 -3.545 -11.210 183 HE21 GLN 23 1HE2 GLN 23 -5.784 -1.532 -11.862 184 HE22 GLN 23 2HE2 GLN 23 -7.089 -0.969 -12.844 185 H ASP 24 H ASP 24 -3.612 -6.814 -13.407 186 HA ASP 24 HA ASP 24 -4.977 -8.854 -14.721 187 HB2 ASP 24 2HB ASP 24 -1.988 -8.485 -14.427 188 HB3 ASP 24 3HB ASP 24 -2.773 -9.513 -15.622 189 H ASP 25 H ASP 25 -2.579 -9.077 -12.109 190 HA ASP 25 HA ASP 25 -2.841 -11.936 -11.918 191 HB2 ASP 25 2HB ASP 25 -1.260 -9.828 -10.539 192 HB3 ASP 25 3HB ASP 25 -1.546 -11.325 -9.656 193 H LEU 26 H LEU 26 -4.690 -9.354 -10.870 194 HA LEU 26 HA LEU 26 -5.500 -10.143 -8.305 195 HB2 LEU 26 2HB LEU 26 -5.968 -7.980 -9.695 196 HB3 LEU 26 3HB LEU 26 -7.406 -8.859 -10.211 197 HG LEU 26 HG LEU 26 -7.841 -7.303 -8.351 198 HD11 LEU 26 1HD1 LEU 26 -9.259 -9.249 -8.637 199 HD12 LEU 26 2HD1 LEU 26 -9.039 -8.898 -6.923 200 HD13 LEU 26 3HD1 LEU 26 -8.150 -10.224 -7.672 201 HD21 LEU 26 3HD2 LEU 26 -6.944 -7.672 -6.168 202 HD22 LEU 26 1HD2 LEU 26 -5.592 -7.568 -7.296 203 HD23 LEU 26 2HD2 LEU 26 -6.120 -9.140 -6.695 204 H ASP 27 H ASP 27 -6.082 -12.213 -7.966 205 HA ASP 27 HA ASP 27 -7.359 -13.939 -9.710 206 HB2 ASP 27 2HB ASP 27 -7.806 -13.992 -6.727 207 HB3 ASP 27 3HB ASP 27 -7.770 -15.353 -7.845 208 H GLU 28 H GLU 28 -9.607 -14.935 -9.189 209 HA GLU 28 HA GLU 28 -11.547 -12.945 -9.770 210 HB2 GLU 28 2HB GLU 28 -12.014 -15.814 -8.945 211 HB3 GLU 28 3HB GLU 28 -13.153 -14.765 -9.777 212 HG2 GLU 28 2HG GLU 28 -10.540 -15.781 -10.870 213 HG3 GLU 28 3HG GLU 28 -12.152 -16.335 -11.319 214 H ASN 29 H ASN 29 -11.497 -15.261 -7.056 215 HA ASN 29 HA ASN 29 -12.617 -13.138 -5.349 216 HB2 ASN 29 2HB ASN 29 -13.384 -16.065 -5.390 217 HB3 ASN 29 3HB ASN 29 -13.925 -14.907 -4.179 218 HD21 ASN 29 1HD2 ASN 29 -14.330 -16.102 -7.365 219 HD22 ASN 29 2HD2 ASN 29 -15.683 -15.120 -7.801 220 H ASP 30 H ASP 30 -10.837 -12.599 -4.197 221 HA ASP 30 HA ASP 30 -9.806 -14.601 -2.356 222 HB2 ASP 30 2HB ASP 30 -8.190 -13.301 -4.504 223 HB3 ASP 30 3HB ASP 30 -7.431 -13.577 -2.938 224 H VAL 31 H VAL 31 -8.308 -13.562 -0.724 225 HA VAL 31 HA VAL 31 -9.421 -10.947 0.003 226 HB VAL 31 HB VAL 31 -7.847 -12.843 1.748 227 HG11 VAL 31 1HG1 VAL 31 -9.518 -10.413 2.375 228 HG12 VAL 31 2HG1 VAL 31 -8.845 -11.510 3.582 229 HG13 VAL 31 3HG1 VAL 31 -7.770 -10.570 2.546 230 HG21 VAL 31 3HG2 VAL 31 -10.547 -12.731 2.547 231 HG22 VAL 31 1HG2 VAL 31 -10.541 -13.033 0.809 232 HG23 VAL 31 2HG2 VAL 31 -9.664 -14.112 1.895 233 H TYR 32 H TYR 32 -8.214 -9.331 -0.779 234 HA TYR 32 HA TYR 32 -5.286 -9.553 -0.612 235 HB2 TYR 32 2HB TYR 32 -6.609 -7.360 -2.141 236 HB3 TYR 32 3HB TYR 32 -5.100 -8.204 -2.470 237 HD1 TYR 32 HD1 TYR 32 -8.757 -8.339 -2.810 238 HD2 TYR 32 HD2 TYR 32 -5.070 -10.239 -3.758 239 HE1 TYR 32 HE1 TYR 32 -9.914 -9.744 -4.465 240 HE2 TYR 32 HE2 TYR 32 -6.216 -11.649 -5.416 241 HH TYR 32 HH TYR 32 -9.592 -11.140 -6.242 242 H LEU 33 H LEU 33 -4.099 -7.571 -0.057 243 HA LEU 33 HA LEU 33 -5.600 -5.720 1.653 244 HB2 LEU 33 2HB LEU 33 -2.943 -6.803 2.516 245 HB3 LEU 33 3HB LEU 33 -4.153 -5.952 3.474 246 HG LEU 33 HG LEU 33 -4.485 -8.753 2.405 247 HD11 LEU 33 1HD1 LEU 33 -3.956 -8.004 5.261 248 HD12 LEU 33 2HD1 LEU 33 -2.648 -8.379 4.139 249 HD13 LEU 33 3HD1 LEU 33 -3.875 -9.593 4.499 250 HD21 LEU 33 3HD2 LEU 33 -6.341 -6.892 3.404 251 HD22 LEU 33 1HD2 LEU 33 -6.082 -8.079 4.683 252 HD23 LEU 33 2HD2 LEU 33 -6.593 -8.608 3.081 253 H LEU 34 H LEU 34 -5.286 -3.783 0.784 254 HA LEU 34 HA LEU 34 -2.605 -3.121 -0.243 255 HB2 LEU 34 2HB LEU 34 -4.191 -3.085 -2.025 256 HB3 LEU 34 3HB LEU 34 -5.326 -2.135 -1.069 257 HG LEU 34 HG LEU 34 -2.969 -0.607 -1.252 258 HD11 LEU 34 1HD1 LEU 34 -3.737 -1.914 -3.849 259 HD12 LEU 34 2HD1 LEU 34 -2.146 -1.839 -3.092 260 HD13 LEU 34 3HD1 LEU 34 -2.872 -0.379 -3.763 261 HD21 LEU 34 3HD2 LEU 34 -5.066 0.440 -1.097 262 HD22 LEU 34 1HD2 LEU 34 -5.706 -0.446 -2.481 263 HD23 LEU 34 2HD2 LEU 34 -4.490 0.809 -2.723 264 H ASP 35 H ASP 35 -1.714 -2.277 1.607 265 HA ASP 35 HA ASP 35 -3.132 -0.259 3.128 266 HB2 ASP 35 2HB ASP 35 -0.237 -0.903 3.546 267 HB3 ASP 35 3HB ASP 35 -1.465 -0.466 4.731 268 H THR 36 H THR 36 -3.231 1.745 2.371 269 HA THR 36 HA THR 36 -0.948 2.809 0.853 270 HB THR 36 HB THR 36 -2.363 4.146 -0.356 271 HG1 THR 36 HG1 THR 36 -3.344 5.361 1.190 272 HG21 THR 36 3HG2 THR 36 -3.030 1.800 -0.722 273 HG22 THR 36 1HG2 THR 36 -4.375 2.915 -0.956 274 HG23 THR 36 2HG2 THR 36 -4.262 1.968 0.527 275 H TRP 37 H TRP 37 -1.021 5.395 1.067 276 HA TRP 37 HA TRP 37 -0.099 5.946 3.684 277 HB2 TRP 37 2HB TRP 37 0.662 7.090 1.571 278 HB3 TRP 37 3HB TRP 37 -0.861 7.974 1.576 279 HD1 TRP 37 HD1 TRP 37 -0.088 7.808 5.068 280 HE1 TRP 37 HE1 TRP 37 1.186 9.890 5.887 281 HE3 TRP 37 HE3 TRP 37 1.376 9.695 0.547 282 HZ2 TRP 37 HZ2 TRP 37 2.620 12.046 4.765 283 HZ3 TRP 37 HZ3 TRP 37 2.695 11.771 0.507 284 HH2 TRP 37 HH2 TRP 37 3.303 12.921 2.573 285 H ASP 38 H ASP 38 -2.949 7.165 1.920 286 HA ASP 38 HA ASP 38 -4.067 8.573 4.071 287 HB2 ASP 38 2HB ASP 38 -5.088 7.520 1.475 288 HB3 ASP 38 3HB ASP 38 -6.267 8.034 2.678 289 H GLN 39 H GLN 39 -4.666 5.269 2.914 290 HA GLN 39 HA GLN 39 -5.128 4.221 5.475 291 HB2 GLN 39 2HB GLN 39 -7.237 5.695 4.961 292 HB3 GLN 39 3HB GLN 39 -7.708 4.327 3.962 293 HG2 GLN 39 2HG GLN 39 -8.672 4.267 6.229 294 HG3 GLN 39 3HG GLN 39 -7.682 2.858 5.852 295 HE21 GLN 39 1HE2 GLN 39 -6.730 6.114 6.845 296 HE22 GLN 39 2HE2 GLN 39 -5.914 5.627 8.288 297 H ILE 40 H ILE 40 -5.983 1.967 5.387 298 HA ILE 40 HA ILE 40 -4.895 0.639 3.051 299 HB ILE 40 HB ILE 40 -6.094 -0.583 5.539 300 HG12 ILE 40 2HG1 ILE 40 -3.434 -1.007 5.761 301 HG13 ILE 40 3HG1 ILE 40 -3.423 0.547 4.934 302 HG21 ILE 40 1HG2 ILE 40 -6.095 -2.189 3.794 303 HG22 ILE 40 2HG2 ILE 40 -4.477 -1.724 3.274 304 HG23 ILE 40 3HG2 ILE 40 -4.704 -2.553 4.814 305 HD11 ILE 40 3HD1 ILE 40 -3.672 1.501 6.912 306 HD12 ILE 40 1HD1 ILE 40 -5.298 0.823 6.972 307 HD13 ILE 40 2HD1 ILE 40 -3.949 -0.057 7.691 308 H PHE 41 H PHE 41 -6.051 -0.105 1.403 309 HA PHE 41 HA PHE 41 -8.965 -0.057 1.591 310 HB2 PHE 41 2HB PHE 41 -6.989 0.097 -0.624 311 HB3 PHE 41 3HB PHE 41 -8.546 -0.638 -0.990 312 HD1 PHE 41 HD2 PHE 41 -7.146 2.387 0.684 313 HD2 PHE 41 HD1 PHE 41 -10.246 0.723 -1.712 314 HE1 PHE 41 HE2 PHE 41 -8.133 4.624 0.413 315 HE2 PHE 41 HE1 PHE 41 -11.237 2.958 -1.988 316 HZ PHE 41 HZ PHE 41 -10.182 4.912 -0.923 317 H PHE 42 H PHE 42 -9.878 -1.879 2.273 318 HA PHE 42 HA PHE 42 -8.636 -4.450 1.675 319 HB2 PHE 42 2HB PHE 42 -10.604 -3.457 3.661 320 HB3 PHE 42 3HB PHE 42 -10.794 -5.125 3.132 321 HD1 PHE 42 HD2 PHE 42 -8.017 -2.850 4.161 322 HD2 PHE 42 HD1 PHE 42 -9.789 -6.710 4.436 323 HE1 PHE 42 HE2 PHE 42 -6.255 -3.544 5.732 324 HE2 PHE 42 HE1 PHE 42 -8.030 -7.410 6.008 325 HZ PHE 42 HZ PHE 42 -6.259 -5.826 6.657 326 H TRP 43 H TRP 43 -9.158 -5.388 -0.180 327 HA TRP 43 HA TRP 43 -11.820 -4.935 -1.321 328 HB2 TRP 43 2HB TRP 43 -9.152 -5.606 -2.433 329 HB3 TRP 43 3HB TRP 43 -10.543 -6.313 -3.250 330 HD1 TRP 43 HD1 TRP 43 -10.240 -2.742 -1.770 331 HE1 TRP 43 HE1 TRP 43 -10.710 -1.059 -3.660 332 HE3 TRP 43 HE3 TRP 43 -10.752 -6.016 -5.663 333 HZ2 TRP 43 HZ2 TRP 43 -11.230 -1.113 -6.434 334 HZ3 TRP 43 HZ3 TRP 43 -11.236 -5.119 -7.902 335 HH2 TRP 43 HH2 TRP 43 -11.470 -2.718 -8.278 336 H ILE 44 H ILE 44 -13.246 -6.358 -0.519 337 HA ILE 44 HA ILE 44 -12.444 -9.175 -0.279 338 HB ILE 44 HB ILE 44 -14.830 -7.744 0.897 339 HG12 ILE 44 2HG1 ILE 44 -12.744 -7.117 1.989 340 HG13 ILE 44 3HG1 ILE 44 -13.685 -8.158 3.052 341 HG21 ILE 44 1HG2 ILE 44 -14.093 -10.601 0.703 342 HG22 ILE 44 2HG2 ILE 44 -14.730 -10.044 2.250 343 HG23 ILE 44 3HG2 ILE 44 -15.682 -9.841 0.780 344 HD11 ILE 44 3HD1 ILE 44 -11.208 -8.819 1.503 345 HD12 ILE 44 1HD1 ILE 44 -11.481 -8.907 3.243 346 HD13 ILE 44 2HD1 ILE 44 -12.260 -10.068 2.168 347 H GLY 45 H GLY 45 -13.106 -10.575 -1.765 348 HA2 GLY 45 2HA GLY 45 -15.021 -9.756 -3.777 349 HA3 GLY 45 3HA GLY 45 -14.104 -11.255 -3.754 350 H LYS 46 H LYS 46 -16.160 -12.201 -4.441 351 HA LYS 46 HA LYS 46 -18.211 -12.381 -2.371 352 HB2 LYS 46 2HB LYS 46 -18.080 -13.027 -5.282 353 HB3 LYS 46 3HB LYS 46 -19.247 -13.890 -4.288 354 HG2 LYS 46 2HG LYS 46 -19.446 -11.138 -3.651 355 HG3 LYS 46 3HG LYS 46 -19.441 -11.291 -5.410 356 HD2 LYS 46 2HD LYS 46 -21.143 -13.155 -3.832 357 HD3 LYS 46 3HD LYS 46 -21.675 -11.481 -4.008 358 HE2 LYS 46 2HE LYS 46 -20.755 -12.647 -6.511 359 HE3 LYS 46 3HE LYS 46 -22.106 -13.531 -5.805 360 HZ1 LYS 46 3HZ LYS 46 -22.490 -11.475 -7.361 361 HZ2 LYS 46 1HZ LYS 46 -22.277 -10.610 -5.923 362 HZ3 LYS 46 2HZ LYS 46 -23.505 -11.768 -6.040 363 H GLY 47 H GLY 47 -15.716 -14.288 -3.893 364 HA2 GLY 47 2HA GLY 47 -16.635 -16.781 -2.749 365 HA3 GLY 47 3HA GLY 47 -15.150 -16.530 -3.655 366 H ALA 48 H ALA 48 -14.304 -14.296 -1.949 367 HA ALA 48 HA ALA 48 -12.643 -15.592 -0.182 368 HB1 ALA 48 1HB ALA 48 -12.561 -13.350 1.031 369 HB2 ALA 48 2HB ALA 48 -12.135 -13.358 -0.680 370 HB3 ALA 48 3HB ALA 48 -13.725 -12.791 -0.170 371 H ASN 49 H ASN 49 -12.887 -16.582 1.713 372 HA ASN 49 HA ASN 49 -15.440 -16.931 2.886 373 HB2 ASN 49 2HB ASN 49 -12.664 -17.790 3.502 374 HB3 ASN 49 3HB ASN 49 -13.817 -17.817 4.833 375 HD21 ASN 49 1HD2 ASN 49 -14.537 -19.790 5.120 376 HD22 ASN 49 2HD2 ASN 49 -14.995 -20.901 3.878 377 H GLU 50 H GLU 50 -15.901 -16.501 5.218 378 HA GLU 50 HA GLU 50 -15.609 -13.710 5.745 379 HB2 GLU 50 2HB GLU 50 -16.784 -15.949 7.399 380 HB3 GLU 50 3HB GLU 50 -16.853 -14.252 7.850 381 HG2 GLU 50 2HG GLU 50 -18.055 -13.811 5.709 382 HG3 GLU 50 3HG GLU 50 -18.122 -15.554 5.456 383 H SER 51 H SER 51 -14.047 -16.621 6.870 384 HA SER 51 HA SER 51 -12.768 -15.415 9.127 385 HB2 SER 51 2HB SER 51 -12.506 -18.031 7.684 386 HB3 SER 51 3HB SER 51 -11.269 -17.551 8.846 387 HG SER 51 HG SER 51 -14.006 -18.067 9.275 388 H GLU 52 H GLU 52 -11.775 -16.207 5.819 389 HA GLU 52 HA GLU 52 -9.091 -15.578 5.951 390 HB2 GLU 52 2HB GLU 52 -10.965 -15.003 3.649 391 HB3 GLU 52 3HB GLU 52 -9.214 -15.124 3.546 392 HG2 GLU 52 2HG GLU 52 -9.274 -17.452 4.076 393 HG3 GLU 52 3HG GLU 52 -10.999 -17.376 4.431 394 H LYS 53 H LYS 53 -11.788 -13.386 5.186 395 HA LYS 53 HA LYS 53 -10.254 -11.057 4.891 396 HB2 LYS 53 2HB LYS 53 -12.421 -10.866 4.075 397 HB3 LYS 53 3HB LYS 53 -13.134 -11.606 5.502 398 HG2 LYS 53 2HG LYS 53 -11.755 -9.010 5.863 399 HG3 LYS 53 3HG LYS 53 -13.298 -9.006 5.007 400 HD2 LYS 53 2HD LYS 53 -13.525 -10.672 7.313 401 HD3 LYS 53 3HD LYS 53 -12.840 -9.119 7.797 402 HE2 LYS 53 2HE LYS 53 -15.217 -8.951 7.951 403 HE3 LYS 53 3HE LYS 53 -14.697 -8.001 6.559 404 HZ1 LYS 53 3HZ LYS 53 -15.207 -10.111 5.236 405 HZ2 LYS 53 1HZ LYS 53 -16.515 -9.190 5.785 406 HZ3 LYS 53 2HZ LYS 53 -16.081 -10.608 6.597 407 H GLU 54 H GLU 54 -11.445 -12.704 7.722 408 HA GLU 54 HA GLU 54 -11.005 -10.514 9.521 409 HB2 GLU 54 2HB GLU 54 -11.375 -13.463 10.080 410 HB3 GLU 54 3HB GLU 54 -11.396 -12.188 11.291 411 HG2 GLU 54 2HG GLU 54 -13.259 -11.668 9.137 412 HG3 GLU 54 3HG GLU 54 -13.569 -13.211 9.931 413 H ALA 55 H ALA 55 -9.365 -13.649 9.062 414 HA ALA 55 HA ALA 55 -7.203 -13.109 10.768 415 HB1 ALA 55 1HB ALA 55 -6.318 -15.106 10.066 416 HB2 ALA 55 2HB ALA 55 -8.014 -15.330 9.636 417 HB3 ALA 55 3HB ALA 55 -6.843 -14.879 8.397 418 H ALA 56 H ALA 56 -7.470 -12.816 7.230 419 HA ALA 56 HA ALA 56 -4.875 -11.904 6.740 420 HB1 ALA 56 1HB ALA 56 -5.577 -11.418 4.590 421 HB2 ALA 56 2HB ALA 56 -6.741 -12.642 5.099 422 HB3 ALA 56 3HB ALA 56 -7.191 -10.937 5.115 423 H ALA 57 H ALA 57 -7.665 -10.263 7.995 424 HA ALA 57 HA ALA 57 -6.731 -7.606 7.488 425 HB1 ALA 57 1HB ALA 57 -8.513 -7.209 9.432 426 HB2 ALA 57 2HB ALA 57 -8.981 -7.526 7.760 427 HB3 ALA 57 3HB ALA 57 -8.997 -8.834 8.944 428 H GLU 58 H GLU 58 -6.760 -9.739 10.327 429 HA GLU 58 HA GLU 58 -5.544 -7.879 12.084 430 HB2 GLU 58 2HB GLU 58 -5.880 -10.868 12.144 431 HB3 GLU 58 3HB GLU 58 -4.989 -10.022 13.401 432 HG2 GLU 58 2HG GLU 58 -7.457 -8.680 13.027 433 HG3 GLU 58 3HG GLU 58 -7.784 -10.407 13.161 434 H THR 59 H THR 59 -4.274 -10.410 9.981 435 HA THR 59 HA THR 59 -1.618 -10.396 10.872 436 HB THR 59 HB THR 59 -2.679 -10.976 8.100 437 HG1 THR 59 HG1 THR 59 -3.487 -12.567 9.302 438 HG21 THR 59 3HG2 THR 59 -0.277 -10.492 8.064 439 HG22 THR 59 1HG2 THR 59 -0.588 -12.200 7.755 440 HG23 THR 59 2HG2 THR 59 -0.016 -11.680 9.340 441 H ALA 60 H ALA 60 -3.323 -8.313 8.619 442 HA ALA 60 HA ALA 60 -1.018 -7.022 7.565 443 HB1 ALA 60 1HB ALA 60 -2.906 -5.200 7.109 444 HB2 ALA 60 2HB ALA 60 -2.765 -6.678 6.156 445 HB3 ALA 60 3HB ALA 60 -3.945 -6.581 7.463 446 H GLN 61 H GLN 61 -3.221 -6.312 10.236 447 HA GLN 61 HA GLN 61 -2.432 -3.751 10.888 448 HB2 GLN 61 2HB GLN 61 -3.424 -6.059 12.519 449 HB3 GLN 61 3HB GLN 61 -2.911 -4.584 13.326 450 HG2 GLN 61 2HG GLN 61 -4.631 -3.891 11.167 451 HG3 GLN 61 3HG GLN 61 -5.398 -5.155 12.128 452 HE21 GLN 61 1HE2 GLN 61 -5.130 -1.927 11.783 453 HE22 GLN 61 2HE2 GLN 61 -5.494 -1.419 13.393 454 H GLU 62 H GLU 62 -0.778 -6.778 11.460 455 HA GLU 62 HA GLU 62 1.068 -5.971 13.388 456 HB2 GLU 62 2HB GLU 62 1.150 -8.044 11.216 457 HB3 GLU 62 3HB GLU 62 2.549 -7.765 12.243 458 HG2 GLU 62 2HG GLU 62 0.111 -8.063 13.779 459 HG3 GLU 62 3HG GLU 62 0.436 -9.463 12.758 460 H TYR 63 H TYR 63 1.139 -5.656 9.874 461 HA TYR 63 HA TYR 63 3.791 -4.609 9.765 462 HB2 TYR 63 2HB TYR 63 2.944 -5.659 7.796 463 HB3 TYR 63 3HB TYR 63 1.515 -4.632 7.782 464 HD1 TYR 63 HD2 TYR 63 1.673 -2.293 7.054 465 HD2 TYR 63 HD1 TYR 63 5.047 -4.882 6.918 466 HE1 TYR 63 HE2 TYR 63 2.820 -0.711 5.560 467 HE2 TYR 63 HE1 TYR 63 6.203 -3.306 5.425 468 HH TYR 63 HH TYR 63 5.646 -0.344 5.091 469 H LEU 64 H LEU 64 0.561 -3.194 9.862 470 HA LEU 64 HA LEU 64 1.157 -0.549 9.308 471 HB2 LEU 64 2HB LEU 64 -0.916 -1.890 10.980 472 HB3 LEU 64 3HB LEU 64 -0.777 -0.134 11.028 473 HG LEU 64 HG LEU 64 -2.512 -1.111 9.455 474 HD11 LEU 64 1HD1 LEU 64 -1.349 0.423 7.518 475 HD12 LEU 64 2HD1 LEU 64 -0.546 0.997 8.979 476 HD13 LEU 64 3HD1 LEU 64 -2.305 1.036 8.868 477 HD21 LEU 64 3HD2 LEU 64 -0.010 -1.850 7.946 478 HD22 LEU 64 1HD2 LEU 64 -1.623 -1.792 7.235 479 HD23 LEU 64 2HD2 LEU 64 -1.270 -2.940 8.527 480 H ARG 65 H ARG 65 1.718 -2.395 12.217 481 HA ARG 65 HA ARG 65 2.070 -0.427 14.112 482 HB2 ARG 65 2HB ARG 65 3.519 -3.035 13.690 483 HB3 ARG 65 3HB ARG 65 3.832 -2.006 15.081 484 HG2 ARG 65 2HG ARG 65 1.036 -2.319 14.906 485 HG3 ARG 65 3HG ARG 65 1.756 -3.916 14.691 486 HD2 ARG 65 2HD ARG 65 1.488 -3.724 17.001 487 HD3 ARG 65 3HD ARG 65 3.186 -3.331 16.736 488 HE ARG 65 HE ARG 65 2.774 -1.233 17.531 489 HH11 ARG 65 1HH1 ARG 65 -0.248 -2.693 16.606 490 HH12 ARG 65 2HH1 ARG 65 -1.215 -1.398 17.230 491 HH21 ARG 65 1HH2 ARG 65 1.512 0.479 18.356 492 HH22 ARG 65 2HH2 ARG 65 -0.212 0.406 18.224 493 H SER 66 H SER 66 4.149 -1.301 11.448 494 HA SER 66 HA SER 66 6.553 -0.167 12.222 495 HB2 SER 66 2HB SER 66 7.118 -0.057 9.886 496 HB3 SER 66 3HB SER 66 6.129 -1.497 10.127 497 HG SER 66 HG SER 66 4.525 -0.604 9.033 498 H HIS 67 H HIS 67 3.599 1.366 11.225 499 HA HIS 67 HA HIS 67 4.879 3.988 11.611 500 HB2 HIS 67 2HB HIS 67 3.113 3.053 9.393 501 HB3 HIS 67 3HB HIS 67 2.966 4.723 9.931 502 HD1 HIS 67 HD1 HIS 67 4.317 6.229 8.531 503 HD2 HIS 67 HD2 HIS 67 6.119 2.509 8.957 504 HE1 HIS 67 HE1 HIS 67 6.458 6.364 7.217 505 HA PRO 68 HA PRO 68 1.497 3.687 14.662 506 HB2 PRO 68 2HB PRO 68 2.684 5.357 16.444 507 HB3 PRO 68 3HB PRO 68 3.072 3.636 16.335 508 HG2 PRO 68 2HG PRO 68 4.542 5.984 15.202 509 HG3 PRO 68 3HG PRO 68 5.187 4.549 16.020 510 HD2 PRO 68 2HD PRO 68 5.202 4.821 13.326 511 HD3 PRO 68 3HD PRO 68 5.031 3.245 14.125 512 H GLY 69 H GLY 69 0.913 5.910 16.156 513 HA2 GLY 69 2HA GLY 69 0.704 8.372 15.692 514 HA3 GLY 69 3HA GLY 69 0.208 7.888 14.077 515 H SER 70 H SER 70 -1.378 9.527 15.631 516 HA SER 70 HA SER 70 -3.509 7.782 16.644 517 HB2 SER 70 2HB SER 70 -2.881 10.701 17.048 518 HB3 SER 70 3HB SER 70 -4.456 10.030 17.469 519 HG SER 70 HG SER 70 -2.974 8.388 18.618 520 H ARG 71 H ARG 71 -2.641 9.167 13.818 521 HA ARG 71 HA ARG 71 -5.317 10.017 13.023 522 HB2 ARG 71 2HB ARG 71 -2.576 10.324 11.896 523 HB3 ARG 71 3HB ARG 71 -3.932 10.347 10.776 524 HG2 ARG 71 2HG ARG 71 -4.941 12.179 12.076 525 HG3 ARG 71 3HG ARG 71 -3.525 12.180 13.129 526 HD2 ARG 71 2HD ARG 71 -2.112 12.929 11.416 527 HD3 ARG 71 3HD ARG 71 -3.272 12.505 10.158 528 HE ARG 71 HE ARG 71 -4.537 14.405 11.665 529 HH11 ARG 71 1HH1 ARG 71 -1.539 14.225 9.905 530 HH12 ARG 71 2HH1 ARG 71 -1.507 15.916 9.530 531 HH21 ARG 71 1HH2 ARG 71 -4.506 16.633 11.178 532 HH22 ARG 71 2HH2 ARG 71 -3.194 17.285 10.256 533 H ASP 72 H ASP 72 -4.390 7.165 13.557 534 HA ASP 72 HA ASP 72 -5.002 6.004 10.925 535 HB2 ASP 72 2HB ASP 72 -3.785 4.706 13.373 536 HB3 ASP 72 3HB ASP 72 -4.087 3.901 11.836 537 H LEU 73 H LEU 73 -6.233 6.504 14.080 538 HA LEU 73 HA LEU 73 -8.183 4.360 13.913 539 HB2 LEU 73 2HB LEU 73 -7.682 6.519 15.949 540 HB3 LEU 73 3HB LEU 73 -9.005 5.360 16.070 541 HG LEU 73 HG LEU 73 -6.431 4.059 15.715 542 HD11 LEU 73 1HD1 LEU 73 -5.186 5.327 17.054 543 HD12 LEU 73 2HD1 LEU 73 -6.207 4.764 18.377 544 HD13 LEU 73 3HD1 LEU 73 -6.574 6.287 17.566 545 HD21 LEU 73 3HD2 LEU 73 -8.437 2.891 16.407 546 HD22 LEU 73 1HD2 LEU 73 -8.581 3.928 17.827 547 HD23 LEU 73 2HD2 LEU 73 -7.223 2.811 17.685 548 H ASP 74 H ASP 74 -8.203 7.916 14.008 549 HA ASP 74 HA ASP 74 -10.924 8.347 13.764 550 HB2 ASP 74 2HB ASP 74 -8.718 9.992 12.504 551 HB3 ASP 74 3HB ASP 74 -10.357 10.541 12.845 552 H THR 75 H THR 75 -8.628 7.308 11.371 553 HA THR 75 HA THR 75 -10.728 7.435 9.307 554 HB THR 75 HB THR 75 -7.804 7.077 8.698 555 HG1 THR 75 HG1 THR 75 -9.219 9.453 9.300 556 HG21 THR 75 3HG2 THR 75 -8.974 8.575 6.719 557 HG22 THR 75 1HG2 THR 75 -10.279 7.491 7.196 558 HG23 THR 75 2HG2 THR 75 -8.732 6.830 6.669 559 HA PRO 76 HA PRO 76 -10.417 2.959 10.137 560 HB2 PRO 76 2HB PRO 76 -12.938 2.421 9.284 561 HB3 PRO 76 3HB PRO 76 -12.579 3.005 10.914 562 HG2 PRO 76 2HG PRO 76 -13.544 4.529 8.525 563 HG3 PRO 76 3HG PRO 76 -14.071 4.646 10.214 564 HD2 PRO 76 2HD PRO 76 -12.355 6.418 9.098 565 HD3 PRO 76 3HD PRO 76 -12.280 5.967 10.813 566 H ILE 77 H ILE 77 -10.804 1.082 8.677 567 HA ILE 77 HA ILE 77 -9.703 1.609 6.094 568 HB ILE 77 HB ILE 77 -10.614 -0.877 7.501 569 HG12 ILE 77 2HG1 ILE 77 -7.974 -0.704 6.206 570 HG13 ILE 77 3HG1 ILE 77 -8.243 0.483 7.479 571 HG21 ILE 77 1HG2 ILE 77 -10.045 -0.539 4.583 572 HG22 ILE 77 2HG2 ILE 77 -9.685 -2.060 5.399 573 HG23 ILE 77 3HG2 ILE 77 -11.337 -1.444 5.372 574 HD11 ILE 77 3HD1 ILE 77 -7.878 -2.422 7.644 575 HD12 ILE 77 1HD1 ILE 77 -7.469 -1.153 8.798 576 HD13 ILE 77 2HD1 ILE 77 -9.125 -1.754 8.697 577 H ILE 78 H ILE 78 -10.661 1.638 4.127 578 HA ILE 78 HA ILE 78 -13.545 1.886 4.062 579 HB ILE 78 HB ILE 78 -11.843 1.987 1.604 580 HG12 ILE 78 2HG1 ILE 78 -12.013 4.111 3.747 581 HG13 ILE 78 3HG1 ILE 78 -10.562 3.310 3.154 582 HG21 ILE 78 1HG2 ILE 78 -13.845 4.050 2.059 583 HG22 ILE 78 2HG2 ILE 78 -13.628 2.965 0.687 584 HG23 ILE 78 3HG2 ILE 78 -14.511 2.418 2.113 585 HD11 ILE 78 3HD1 ILE 78 -11.919 5.650 2.158 586 HD12 ILE 78 1HD1 ILE 78 -10.305 5.040 1.797 587 HD13 ILE 78 2HD1 ILE 78 -11.696 4.441 0.894 588 H VAL 79 H VAL 79 -14.440 -0.124 4.293 589 HA VAL 79 HA VAL 79 -13.533 -2.484 3.073 590 HB VAL 79 HB VAL 79 -16.317 -1.758 3.994 591 HG11 VAL 79 1HG1 VAL 79 -16.888 -3.601 2.836 592 HG12 VAL 79 2HG1 VAL 79 -15.224 -4.179 2.734 593 HG13 VAL 79 3HG1 VAL 79 -16.166 -4.455 4.200 594 HG21 VAL 79 3HG2 VAL 79 -15.113 -1.718 5.936 595 HG22 VAL 79 1HG2 VAL 79 -15.471 -3.443 5.848 596 HG23 VAL 79 2HG2 VAL 79 -13.894 -2.842 5.335 597 H VAL 80 H VAL 80 -14.048 -3.513 1.183 598 HA VAL 80 HA VAL 80 -15.728 -2.026 -0.728 599 HB VAL 80 HB VAL 80 -13.256 -3.580 -1.486 600 HG11 VAL 80 1HG1 VAL 80 -13.545 -2.704 -3.651 601 HG12 VAL 80 2HG1 VAL 80 -15.151 -3.235 -3.148 602 HG13 VAL 80 3HG1 VAL 80 -14.733 -1.522 -3.102 603 HG21 VAL 80 3HG2 VAL 80 -12.220 -1.350 -1.872 604 HG22 VAL 80 1HG2 VAL 80 -13.601 -0.617 -1.057 605 HG23 VAL 80 2HG2 VAL 80 -12.531 -1.704 -0.173 606 H LYS 81 H LYS 81 -17.096 -3.206 -1.993 607 HA LYS 81 HA LYS 81 -17.356 -6.044 -1.298 608 HB2 LYS 81 2HB LYS 81 -19.247 -3.914 -2.134 609 HB3 LYS 81 3HB LYS 81 -19.602 -5.546 -2.684 610 HG2 LYS 81 2HG LYS 81 -19.214 -6.147 -0.164 611 HG3 LYS 81 3HG LYS 81 -19.577 -4.436 0.076 612 HD2 LYS 81 2HD LYS 81 -21.740 -4.949 -0.021 613 HD3 LYS 81 3HD LYS 81 -21.511 -5.378 -1.718 614 HE2 LYS 81 2HE LYS 81 -22.494 -7.270 -0.725 615 HE3 LYS 81 3HE LYS 81 -20.783 -7.665 -0.883 616 HZ1 LYS 81 3HZ LYS 81 -20.435 -7.402 1.384 617 HZ2 LYS 81 1HZ LYS 81 -21.937 -8.177 1.319 618 HZ3 LYS 81 2HZ LYS 81 -21.856 -6.514 1.615 619 H GLN 82 H GLN 82 -18.103 -7.509 -3.063 620 HA GLN 82 HA GLN 82 -16.317 -7.289 -5.297 621 HB2 GLN 82 2HB GLN 82 -16.950 -9.434 -4.094 622 HB3 GLN 82 3HB GLN 82 -18.497 -9.340 -4.925 623 HG2 GLN 82 2HG GLN 82 -16.810 -10.837 -5.990 624 HG3 GLN 82 3HG GLN 82 -17.475 -9.592 -7.046 625 HE21 GLN 82 1HE2 GLN 82 -16.170 -7.871 -7.683 626 HE22 GLN 82 2HE2 GLN 82 -14.449 -7.928 -7.545 627 H GLY 83 H GLY 83 -16.758 -6.033 -6.983 628 HA2 GLY 83 2HA GLY 83 -18.188 -6.004 -9.023 629 HA3 GLY 83 3HA GLY 83 -19.558 -5.917 -7.925 630 H PHE 84 H PHE 84 -16.821 -4.149 -6.927 631 HA PHE 84 HA PHE 84 -17.754 -1.686 -8.197 632 HB2 PHE 84 2HB PHE 84 -17.262 -1.779 -5.225 633 HB3 PHE 84 3HB PHE 84 -18.004 -0.489 -6.165 634 HD1 PHE 84 HD1 PHE 84 -20.300 -0.710 -6.982 635 HD2 PHE 84 HD2 PHE 84 -18.520 -3.674 -4.500 636 HE1 PHE 84 HE1 PHE 84 -22.526 -1.641 -6.504 637 HE2 PHE 84 HE2 PHE 84 -20.744 -4.611 -4.019 638 HZ PHE 84 HZ PHE 84 -22.750 -3.595 -5.022 639 H GLU 85 H GLU 85 -16.004 -0.949 -9.198 640 HA GLU 85 HA GLU 85 -13.434 -1.030 -7.757 641 HB2 GLU 85 2HB GLU 85 -13.283 -2.512 -9.633 642 HB3 GLU 85 3HB GLU 85 -13.998 -1.318 -10.707 643 HG2 GLU 85 2HG GLU 85 -12.056 0.039 -10.636 644 HG3 GLU 85 3HG GLU 85 -11.367 -0.907 -9.317 645 HA PRO 86 HA PRO 86 -14.386 3.413 -8.234 646 HB2 PRO 86 2HB PRO 86 -12.990 4.156 -6.027 647 HB3 PRO 86 3HB PRO 86 -14.652 3.560 -5.956 648 HG2 PRO 86 2HG PRO 86 -12.093 2.099 -5.431 649 HG3 PRO 86 3HG PRO 86 -13.618 2.045 -4.527 650 HD2 PRO 86 2HD PRO 86 -12.902 0.122 -6.294 651 HD3 PRO 86 3HD PRO 86 -14.594 0.582 -6.017 652 HA PRO 87 HA PRO 87 -10.607 4.433 -10.284 653 HB2 PRO 87 2HB PRO 87 -10.958 7.120 -10.464 654 HB3 PRO 87 3HB PRO 87 -11.844 5.966 -11.468 655 HG2 PRO 87 2HG PRO 87 -12.723 7.376 -8.978 656 HG3 PRO 87 3HG PRO 87 -13.622 7.093 -10.480 657 HD2 PRO 87 2HD PRO 87 -13.981 5.584 -8.260 658 HD3 PRO 87 3HD PRO 87 -14.154 4.926 -9.900 659 H THR 88 H THR 88 -11.479 5.649 -7.179 660 HA THR 88 HA THR 88 -9.128 7.191 -6.691 661 HB THR 88 HB THR 88 -9.890 7.474 -4.498 662 HG1 THR 88 HG1 THR 88 -10.681 5.863 -3.371 663 HG21 THR 88 3HG2 THR 88 -11.471 8.331 -6.238 664 HG22 THR 88 1HG2 THR 88 -12.223 8.007 -4.677 665 HG23 THR 88 2HG2 THR 88 -12.431 6.871 -6.010 666 H PHE 89 H PHE 89 -10.162 3.927 -5.725 667 HA PHE 89 HA PHE 89 -7.847 3.266 -4.278 668 HB2 PHE 89 2HB PHE 89 -9.474 1.737 -3.817 669 HB3 PHE 89 3HB PHE 89 -10.126 1.782 -5.452 670 HD1 PHE 89 HD2 PHE 89 -7.650 0.250 -3.241 671 HD2 PHE 89 HD1 PHE 89 -9.279 0.324 -7.173 672 HE1 PHE 89 HE2 PHE 89 -6.533 -1.885 -3.740 673 HE2 PHE 89 HE1 PHE 89 -8.166 -1.812 -7.678 674 HZ PHE 89 HZ PHE 89 -6.789 -2.918 -5.961 675 H THR 90 H THR 90 -8.724 2.667 -7.664 676 HA THR 90 HA THR 90 -6.571 1.159 -8.479 677 HB THR 90 HB THR 90 -7.465 3.325 -10.319 678 HG1 THR 90 HG1 THR 90 -9.464 2.260 -10.611 679 HG21 THR 90 3HG2 THR 90 -7.289 0.335 -10.684 680 HG22 THR 90 1HG2 THR 90 -5.957 1.447 -10.997 681 HG23 THR 90 2HG2 THR 90 -7.441 1.560 -11.944 682 H GLY 91 H GLY 91 -6.741 4.637 -7.961 683 HA2 GLY 91 2HA GLY 91 -4.384 5.443 -9.193 684 HA3 GLY 91 3HA GLY 91 -5.089 6.221 -7.784 685 H TRP 92 H TRP 92 -4.802 3.564 -6.329 686 HA TRP 92 HA TRP 92 -2.285 4.148 -5.131 687 HB2 TRP 92 2HB TRP 92 -4.127 1.773 -4.781 688 HB3 TRP 92 3HB TRP 92 -2.733 2.125 -3.763 689 HD1 TRP 92 HD1 TRP 92 -6.257 2.370 -3.513 690 HE1 TRP 92 HE1 TRP 92 -7.023 4.292 -1.982 691 HE3 TRP 92 HE3 TRP 92 -1.906 5.048 -3.331 692 HZ2 TRP 92 HZ2 TRP 92 -5.929 6.633 -0.847 693 HZ3 TRP 92 HZ3 TRP 92 -1.849 7.117 -2.001 694 HH2 TRP 92 HH2 TRP 92 -3.820 7.892 -0.786 695 H PHE 93 H PHE 93 -3.301 2.105 -7.709 696 HA PHE 93 HA PHE 93 -1.063 0.310 -7.594 697 HB2 PHE 93 2HB PHE 93 -3.325 0.783 -9.489 698 HB3 PHE 93 3HB PHE 93 -1.926 -0.125 -10.053 699 HD1 PHE 93 HD1 PHE 93 -3.782 -0.058 -6.817 700 HD2 PHE 93 HD2 PHE 93 -2.427 -2.361 -10.130 701 HE1 PHE 93 HE1 PHE 93 -4.687 -2.092 -5.769 702 HE2 PHE 93 HE2 PHE 93 -3.331 -4.398 -9.088 703 HZ PHE 93 HZ PHE 93 -4.463 -4.266 -6.905 704 H MET 94 H MET 94 0.286 0.065 -9.688 705 HA MET 94 HA MET 94 1.677 2.566 -10.064 706 HB2 MET 94 2HB MET 94 2.370 0.087 -11.584 707 HB3 MET 94 3HB MET 94 3.431 1.317 -10.912 708 HG2 MET 94 2HG MET 94 2.388 0.335 -8.646 709 HG3 MET 94 3HG MET 94 2.297 -1.098 -9.668 710 HE1 MET 94 3HE MET 94 5.851 -0.809 -11.200 711 HE2 MET 94 1HE MET 94 5.238 -2.328 -10.546 712 HE3 MET 94 2HE MET 94 4.163 -1.259 -11.446 713 H ALA 95 H ALA 95 -0.779 0.846 -11.667 714 HA ALA 95 HA ALA 95 -0.277 2.286 -14.183 715 HB1 ALA 95 1HB ALA 95 -1.298 0.602 -15.344 716 HB2 ALA 95 2HB ALA 95 -0.639 -0.316 -13.990 717 HB3 ALA 95 3HB ALA 95 -2.340 0.151 -13.994 718 H TRP 96 H TRP 96 -1.294 4.188 -14.186 719 HA TRP 96 HA TRP 96 -3.472 4.926 -12.626 720 HB2 TRP 96 2HB TRP 96 -2.202 6.013 -15.096 721 HB3 TRP 96 3HB TRP 96 -3.777 6.648 -14.629 722 HD1 TRP 96 HD1 TRP 96 -0.299 7.457 -14.213 723 HE1 TRP 96 HE1 TRP 96 0.114 8.912 -12.131 724 HE3 TRP 96 HE3 TRP 96 -4.754 6.724 -11.815 725 HZ2 TRP 96 HZ2 TRP 96 -1.266 9.650 -9.781 726 HZ3 TRP 96 HZ3 TRP 96 -5.127 7.840 -9.654 727 HH2 TRP 96 HH2 TRP 96 -3.418 9.272 -8.660 728 H ASP 97 H ASP 97 -5.662 5.531 -13.375 729 HA ASP 97 HA ASP 97 -6.688 3.603 -15.354 730 HB2 ASP 97 2HB ASP 97 -7.239 3.377 -12.768 731 HB3 ASP 97 3HB ASP 97 -8.447 4.598 -13.158 732 HA PRO 98 HA PRO 98 -8.232 7.117 -17.524 733 HB2 PRO 98 2HB PRO 98 -10.041 5.839 -19.095 734 HB3 PRO 98 3HB PRO 98 -8.297 5.749 -19.369 735 HG2 PRO 98 2HG PRO 98 -10.104 3.785 -18.013 736 HG3 PRO 98 3HG PRO 98 -8.792 3.486 -19.168 737 HD2 PRO 98 2HD PRO 98 -8.486 3.157 -16.498 738 HD3 PRO 98 3HD PRO 98 -7.158 3.679 -17.554 739 H LEU 99 H LEU 99 -10.046 5.221 -15.369 740 HA LEU 99 HA LEU 99 -12.511 6.725 -15.721 741 HB2 LEU 99 2HB LEU 99 -11.677 4.376 -14.079 742 HB3 LEU 99 3HB LEU 99 -13.115 5.286 -13.624 743 HG LEU 99 HG LEU 99 -13.715 3.327 -14.920 744 HD11 LEU 99 1HD1 LEU 99 -14.082 5.761 -16.649 745 HD12 LEU 99 2HD1 LEU 99 -14.973 5.490 -15.152 746 HD13 LEU 99 3HD1 LEU 99 -15.148 4.364 -16.497 747 HD21 LEU 99 3HD2 LEU 99 -12.588 4.292 -17.447 748 HD22 LEU 99 1HD2 LEU 99 -12.690 2.655 -16.797 749 HD23 LEU 99 2HD2 LEU 99 -11.390 3.730 -16.280 750 H CYS 100 H CYS 100 -9.752 7.638 -14.529 751 HA CYS 100 HA CYS 100 -10.341 8.425 -11.857 752 HB2 CYS 100 2HB CYS 100 -8.183 8.973 -13.829 753 HB3 CYS 100 3HB CYS 100 -8.377 10.123 -12.511 754 HG CYS 100 HG CYS 100 -7.818 8.402 -10.488 755 H TRP 101 H TRP 101 -11.353 9.580 -14.864 756 HA TRP 101 HA TRP 101 -11.770 12.314 -13.943 757 HB2 TRP 101 2HB TRP 101 -11.900 10.912 -16.563 758 HB3 TRP 101 3HB TRP 101 -12.944 12.315 -16.349 759 HD1 TRP 101 HD1 TRP 101 -9.452 12.196 -14.780 760 HE1 TRP 101 HE1 TRP 101 -7.986 13.989 -15.905 761 HE3 TRP 101 HE3 TRP 101 -12.653 13.649 -18.492 762 HZ2 TRP 101 HZ2 TRP 101 -8.164 15.782 -18.078 763 HZ3 TRP 101 HZ3 TRP 101 -11.929 15.410 -20.051 764 HH2 TRP 101 HH2 TRP 101 -9.731 16.453 -19.847 765 H SER 102 H SER 102 -13.229 9.712 -13.067 766 HA SER 102 HA SER 102 -15.929 9.969 -13.848 767 HB2 SER 102 2HB SER 102 -16.397 8.304 -12.278 768 HB3 SER 102 3HB SER 102 -14.705 7.995 -12.666 769 HG SER 102 HG SER 102 -15.797 8.603 -10.299 770 H ASP 103 H ASP 103 -14.002 11.864 -11.817 771 HA ASP 103 HA ASP 103 -16.231 12.837 -10.211 772 HB2 ASP 103 2HB ASP 103 -13.302 13.593 -10.214 773 HB3 ASP 103 3HB ASP 103 -14.506 14.236 -9.101 774 H ARG 104 H ARG 104 -14.353 13.720 -12.987 775 HA ARG 104 HA ARG 104 -14.718 16.467 -13.085 776 HB2 ARG 104 2HB ARG 104 -14.381 14.346 -15.165 777 HB3 ARG 104 3HB ARG 104 -14.791 15.978 -15.674 778 HG2 ARG 104 2HG ARG 104 -12.478 15.460 -13.844 779 HG3 ARG 104 3HG ARG 104 -12.321 15.309 -15.595 780 HD2 ARG 104 2HD ARG 104 -13.484 17.692 -15.522 781 HD3 ARG 104 3HD ARG 104 -12.752 17.724 -13.919 782 HE ARG 104 HE ARG 104 -10.701 16.972 -15.502 783 HH11 ARG 104 1HH1 ARG 104 -12.984 19.595 -15.658 784 HH12 ARG 104 2HH1 ARG 104 -11.888 20.675 -16.454 785 HH21 ARG 104 1HH2 ARG 104 -9.248 18.384 -16.550 786 HH22 ARG 104 2HH2 ARG 104 -9.763 19.985 -16.962 787 H LYS 105 H LYS 105 -16.939 13.873 -13.899 788 HA LYS 105 HA LYS 105 -18.912 15.652 -15.023 789 HB2 LYS 105 2HB LYS 105 -18.868 12.713 -14.373 790 HB3 LYS 105 3HB LYS 105 -20.348 13.518 -14.877 791 HG2 LYS 105 2HG LYS 105 -17.855 13.722 -16.520 792 HG3 LYS 105 3HG LYS 105 -18.921 12.321 -16.647 793 HD2 LYS 105 2HD LYS 105 -20.699 14.382 -16.796 794 HD3 LYS 105 3HD LYS 105 -19.290 15.068 -17.608 795 HE2 LYS 105 2HE LYS 105 -20.077 14.014 -19.423 796 HE3 LYS 105 3HE LYS 105 -19.389 12.568 -18.688 797 HZ1 LYS 105 3HZ LYS 105 -21.943 12.794 -19.422 798 HZ2 LYS 105 1HZ LYS 105 -22.058 13.260 -17.799 799 HZ3 LYS 105 2HZ LYS 105 -21.408 11.752 -18.202 800 H SER 106 H SER 106 -18.069 14.506 -11.905 801 HA SER 106 HA SER 106 -20.681 15.284 -10.811 802 HB2 SER 106 2HB SER 106 -20.109 14.044 -8.838 803 HB3 SER 106 3HB SER 106 -19.711 13.030 -10.224 804 HG SER 106 HG SER 106 -17.921 14.573 -8.655 805 H TYR 107 H TYR 107 -20.258 16.119 -8.373 806 HA TYR 107 HA TYR 107 -18.821 18.619 -8.742 807 HB2 TYR 107 2HB TYR 107 -21.182 18.376 -7.737 808 HB3 TYR 107 3HB TYR 107 -20.361 17.832 -6.279 809 HD1 TYR 107 HD2 TYR 107 -20.557 20.678 -8.664 810 HD2 TYR 107 HD1 TYR 107 -19.514 19.386 -4.747 811 HE1 TYR 107 HE2 TYR 107 -20.224 23.019 -7.987 812 HE2 TYR 107 HE1 TYR 107 -19.179 21.724 -4.059 813 HH TYR 107 HH TYR 107 -18.864 23.857 -4.877
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