NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
567149 | 2mdz | 19510 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 29.202 3.984 -14.661 2 HA MET 1 HA MET 1 29.856 5.255 -16.613 3 HB3 MET 1 2HB MET 1 28.137 3.447 -18.314 4 HG3 MET 1 2HG MET 1 30.641 5.046 -18.977 5 HE1 MET 1 3HE MET 1 30.790 2.362 -21.789 6 HE2 MET 1 1HE MET 1 31.707 3.318 -20.602 7 HE3 MET 1 2HE MET 1 30.523 2.101 -20.055 8 H THR 2 H THR 2 26.823 4.026 -15.224 9 HA THR 2 HA THR 2 25.188 5.670 -16.945 10 HB THR 2 HB THR 2 23.357 4.831 -15.628 11 HG1 THR 2 1HG THR 2 25.369 3.652 -13.998 12 HG21 THR 2 3HG2 THR 2 24.503 3.436 -17.411 13 HG22 THR 2 1HG2 THR 2 23.532 2.521 -16.239 14 HG23 THR 2 2HG2 THR 2 25.291 2.538 -16.101 15 H THR 3 H THR 3 23.925 7.482 -16.425 16 HA THR 3 HA THR 3 24.879 9.183 -14.237 17 HB THR 3 HB THR 3 22.905 10.594 -15.399 18 HG1 THR 3 1HG THR 3 22.415 9.970 -17.364 19 HG21 THR 3 3HG2 THR 3 25.234 11.292 -15.346 20 HG22 THR 3 1HG2 THR 3 24.608 11.483 -16.989 21 HG23 THR 3 2HG2 THR 3 25.666 10.114 -16.591 22 H PHE 4 H PHE 4 24.213 7.586 -12.543 23 HA PHE 4 HA PHE 4 21.983 8.822 -11.400 24 HB3 PHE 4 2HB PHE 4 21.368 5.981 -10.974 25 HD1 PHE 4 2HD PHE 4 20.032 7.491 -9.261 26 HD2 PHE 4 1HD PHE 4 19.340 7.508 -13.522 27 HE1 PHE 4 2HE PHE 4 17.855 8.594 -8.913 28 HE2 PHE 4 1HE PHE 4 17.149 8.576 -13.153 29 HZ PHE 4 HZ PHE 4 16.417 9.167 -10.850 30 H ASP 5 H ASP 5 21.820 8.303 -9.142 31 HA ASP 5 HA ASP 5 23.224 6.307 -7.746 32 HB3 ASP 5 2HB ASP 5 24.215 9.185 -7.423 33 H ASP 6 H ASP 6 21.588 5.963 -6.181 34 HA ASP 6 HA ASP 6 19.861 8.312 -5.460 35 HB3 ASP 6 2HB ASP 6 18.993 5.453 -5.869 36 H ARG 7 H ARG 7 21.751 5.646 -4.160 37 HA ARG 7 HA ARG 7 22.536 5.282 -2.100 38 HB3 ARG 7 2HB ARG 7 22.089 8.118 -1.297 39 HG3 ARG 7 2HG ARG 7 24.539 6.407 -1.877 40 HD3 ARG 7 2HD ARG 7 24.226 9.341 -1.192 41 HE ARG 7 HE ARG 7 26.871 8.375 -0.693 42 HH11 ARG 7 1HH1 ARG 7 23.771 9.074 0.969 43 HH12 ARG 7 2HH1 ARG 7 24.392 8.462 2.484 44 HH21 ARG 7 1HH2 ARG 7 27.765 8.440 1.420 45 HH22 ARG 7 2HH2 ARG 7 26.726 8.477 2.808 46 H GLU 8 H GLU 8 22.157 6.486 0.429 47 HA GLU 8 HA GLU 8 19.862 5.179 1.576 48 HB3 GLU 8 2HB GLU 8 20.437 6.488 3.554 49 HG3 GLU 8 2HG GLU 8 22.212 4.635 2.439 50 H ARG 9 H ARG 9 18.185 6.538 2.790 51 HA ARG 9 HA ARG 9 17.289 8.900 1.184 52 HB3 ARG 9 2HB ARG 9 15.171 8.803 2.289 53 HG3 ARG 9 2HG ARG 9 15.693 7.039 0.394 54 HD3 ARG 9 2HD ARG 9 16.434 5.276 2.150 55 HE ARG 9 HE ARG 9 14.558 5.555 3.753 56 HH11 ARG 9 1HH1 ARG 9 13.718 3.598 0.839 57 HH12 ARG 9 2HH1 ARG 9 12.955 2.398 1.832 58 HH21 ARG 9 1HH2 ARG 9 13.091 4.336 4.784 59 HH22 ARG 9 2HH2 ARG 9 12.274 2.992 4.047 60 H ALA 10 H ALA 10 16.496 10.712 2.508 61 HA ALA 10 HA ALA 10 17.629 11.082 5.188 62 HB1 ALA 10 1HB ALA 10 18.619 12.698 2.802 63 HB2 ALA 10 2HB ALA 10 18.955 13.080 4.507 64 HB3 ALA 10 3HB ALA 10 19.578 11.576 3.799 65 H HIS 11 H HIS 11 15.186 11.191 5.399 66 HA HIS 11 HA HIS 11 13.721 13.337 4.158 67 HB3 HIS 11 2HB HIS 11 12.760 11.129 4.761 68 HD1 HIS 11 1HD HIS 11 10.424 11.290 7.133 69 HD2 HIS 11 2HD HIS 11 14.575 11.821 7.711 70 HE1 HIS 11 1HE HIS 11 10.842 10.936 9.551 71 H GLU 12 H GLU 12 15.950 14.152 6.190 72 HA GLU 12 HA GLU 12 14.980 15.371 8.435 73 HB3 GLU 12 2HB GLU 12 17.240 15.137 8.081 74 HG3 GLU 12 2HG GLU 12 17.195 17.216 5.868 75 H ALA 13 H ALA 13 13.317 16.644 8.721 76 HA ALA 13 HA ALA 13 11.563 17.986 8.428 77 HB1 ALA 13 1HB ALA 13 13.234 19.658 8.898 78 HB2 ALA 13 2HB ALA 13 13.688 19.741 7.179 79 HB3 ALA 13 3HB ALA 13 12.096 20.297 7.691 80 H LYS 14 H LYS 14 12.815 16.691 5.635 81 HA LYS 14 HA LYS 14 11.819 18.079 3.503 82 HB3 LYS 14 2HB LYS 14 11.906 15.767 2.321 83 HG3 LYS 14 2HG LYS 14 14.352 16.244 4.042 84 HD3 LYS 14 2HD LYS 14 13.970 15.511 1.122 85 HE3 LYS 14 2HE LYS 14 16.344 16.532 2.690 86 HZ1 LYS 14 3HZ LYS 14 17.760 15.328 1.092 87 HZ2 LYS 14 1HZ LYS 14 16.435 14.504 0.556 88 HZ3 LYS 14 2HZ LYS 14 16.935 14.333 2.118 89 H PHE 15 H PHE 15 9.883 16.073 5.595 90 HA PHE 15 HA PHE 15 7.760 15.525 3.740 91 HB3 PHE 15 2HB PHE 15 6.553 15.496 6.188 92 HD1 PHE 15 2HD PHE 15 9.392 13.551 4.507 93 HD2 PHE 15 1HD PHE 15 5.491 13.500 6.412 94 HE1 PHE 15 2HE PHE 15 9.162 11.139 4.039 95 HE2 PHE 15 1HE PHE 15 5.300 11.089 5.948 96 HZ PHE 15 HZ PHE 15 7.100 9.920 4.753 97 H ALA 16 H ALA 16 8.649 18.565 5.054 98 HA ALA 16 HA ALA 16 6.033 19.614 4.128 99 HB1 ALA 16 1HB ALA 16 5.946 21.175 5.946 100 HB2 ALA 16 2HB ALA 16 6.025 19.543 6.621 101 HB3 ALA 16 3HB ALA 16 7.481 20.578 6.603 102 H HIS 17 H HIS 17 8.446 19.289 2.630 103 HA HIS 17 HA HIS 17 8.596 22.055 1.802 104 HB3 HIS 17 2HB HIS 17 11.319 20.797 1.900 105 HD1 HIS 17 1HD HIS 17 12.346 22.764 0.385 106 HD2 HIS 17 2HD HIS 17 9.918 24.003 3.630 107 HE1 HIS 17 1HE HIS 17 12.662 25.248 0.610 108 H ASP 18 H ASP 18 10.345 18.983 1.238 109 HA ASP 18 HA ASP 18 10.430 19.107 -1.520 110 HB3 ASP 18 2HB ASP 18 11.113 16.726 -1.331 111 H ALA 19 H ALA 19 9.437 17.646 -3.131 112 HA ALA 19 HA ALA 19 6.684 16.729 -2.453 113 HB1 ALA 19 1HB ALA 19 8.039 16.797 -5.188 114 HB2 ALA 19 2HB ALA 19 6.410 16.224 -4.816 115 HB3 ALA 19 3HB ALA 19 6.802 17.931 -4.595 116 H GLU 20 H GLU 20 9.749 15.544 -4.011 117 HA GLU 20 HA GLU 20 8.853 13.050 -4.526 118 HB3 GLU 20 2HB GLU 20 11.345 12.298 -4.092 119 HG3 GLU 20 2HG GLU 20 10.972 14.437 -6.182 120 H LEU 21 H LEU 21 10.503 13.759 -1.418 121 HA LEU 21 HA LEU 21 10.055 11.027 -0.509 122 HB3 LEU 21 2HB LEU 21 10.728 11.900 1.734 123 HG LEU 21 HG LEU 21 12.719 13.030 -0.233 124 HD11 LEU 21 1HD1 LEU 21 12.858 13.194 2.284 125 HD12 LEU 21 2HD1 LEU 21 14.249 12.397 1.537 126 HD13 LEU 21 3HD1 LEU 21 13.021 11.421 2.356 127 HD21 LEU 21 3HD2 LEU 21 12.139 10.820 -1.183 128 HD22 LEU 21 1HD2 LEU 21 12.342 10.059 0.429 129 HD23 LEU 21 2HD2 LEU 21 13.709 10.778 -0.427 130 H ASN 22 H ASN 22 8.171 13.940 -0.352 131 HA ASN 22 HA ASN 22 6.483 13.234 1.887 132 HB3 ASN 22 2HB ASN 22 5.840 15.123 -0.425 133 HD21 ASN 22 1HD2 ASN 22 5.280 17.355 1.019 134 HD22 ASN 22 2HD2 ASN 22 4.037 17.049 2.205 135 H PHE 23 H PHE 23 6.233 13.163 -1.673 136 HA PHE 23 HA PHE 23 3.815 12.337 -2.259 137 HB3 PHE 23 2HB PHE 23 6.153 11.007 -3.660 138 HD1 PHE 23 1HD PHE 23 3.347 9.966 -4.144 139 HD2 PHE 23 2HD PHE 23 5.424 13.361 -5.843 140 HE1 PHE 23 1HE PHE 23 1.883 9.893 -6.101 141 HE2 PHE 23 2HE PHE 23 3.973 13.229 -7.838 142 HZ PHE 23 HZ PHE 23 2.154 11.532 -7.955 143 H LYS 24 H LYS 24 6.420 9.959 -1.478 144 HA LYS 24 HA LYS 24 4.849 7.667 -1.776 145 HB3 LYS 24 2HB LYS 24 7.079 7.246 -1.590 146 HG3 LYS 24 2HG LYS 24 7.293 8.604 1.104 147 HD3 LYS 24 2HD LYS 24 9.123 6.786 -0.505 148 HE3 LYS 24 2HE LYS 24 10.486 8.726 -0.154 149 HZ1 LYS 24 3HZ LYS 24 10.926 9.550 2.018 150 HZ2 LYS 24 1HZ LYS 24 9.923 8.526 2.745 151 HZ3 LYS 24 2HZ LYS 24 9.303 9.708 1.740 152 H ALA 25 H ALA 25 5.194 9.606 1.173 153 HA ALA 25 HA ALA 25 3.286 7.899 2.640 154 HB1 ALA 25 1HB ALA 25 3.660 9.499 4.494 155 HB2 ALA 25 2HB ALA 25 5.230 9.017 3.818 156 HB3 ALA 25 3HB ALA 25 4.531 10.595 3.400 157 H GLU 26 H GLU 26 3.274 10.965 0.928 158 HA GLU 26 HA GLU 26 0.864 12.114 1.718 159 HB3 GLU 26 2HB GLU 26 1.944 11.938 -1.113 160 HG3 GLU 26 2HG GLU 26 0.930 14.407 0.296 161 H ALA 27 H ALA 27 1.548 9.439 -0.537 162 HA ALA 27 HA ALA 27 -1.375 9.023 -1.028 163 HB1 ALA 27 1HB ALA 27 -0.587 7.447 -2.801 164 HB2 ALA 27 2HB ALA 27 -0.080 9.126 -3.045 165 HB3 ALA 27 3HB ALA 27 1.089 7.946 -2.447 166 H ARG 28 H ARG 28 1.133 6.595 -0.983 167 HA ARG 28 HA ARG 28 1.414 4.564 -0.170 168 HB3 ARG 28 2HB ARG 28 0.918 4.948 2.622 169 HG3 ARG 28 2HG ARG 28 3.471 5.461 2.539 170 HD3 ARG 28 2HD ARG 28 2.241 2.754 1.934 171 HE ARG 28 HE ARG 28 4.942 3.256 1.827 172 HH11 ARG 28 1HH1 ARG 28 2.916 1.370 4.174 173 HH12 ARG 28 2HH1 ARG 28 4.157 0.227 4.403 174 HH21 ARG 28 1HH2 ARG 28 6.588 1.661 2.381 175 HH22 ARG 28 2HH2 ARG 28 6.110 0.361 3.441 176 H ARG 29 H ARG 29 -1.711 5.683 0.688 177 HA ARG 29 HA ARG 29 -2.835 3.898 2.319 178 HB3 ARG 29 2HB ARG 29 -3.976 5.859 1.581 179 HG3 ARG 29 2HG ARG 29 -4.310 4.547 -1.160 180 HD3 ARG 29 2HD ARG 29 -6.033 6.325 0.311 181 HE ARG 29 HE ARG 29 -4.743 7.544 -2.099 182 HH11 ARG 29 1HH1 ARG 29 -7.161 7.937 0.498 183 HH12 ARG 29 2HH1 ARG 29 -7.181 9.653 0.407 184 HH21 ARG 29 1HH2 ARG 29 -4.838 9.700 -2.320 185 HH22 ARG 29 2HH2 ARG 29 -5.790 10.708 -1.234 186 H ASN 30 H ASN 30 -2.326 3.197 -1.115 187 HA ASN 30 HA ASN 30 -3.688 0.556 -0.774 188 HB3 ASN 30 2HB ASN 30 -2.903 1.571 -3.452 189 HD21 ASN 30 1HD2 ASN 30 -5.999 1.184 -1.441 190 HD22 ASN 30 2HD2 ASN 30 -6.589 -0.051 -2.531 191 H ARG 31 H ARG 31 -0.564 2.049 -1.045 192 HA ARG 31 HA ARG 31 0.839 0.120 -2.634 193 HB3 ARG 31 2HB ARG 31 1.719 2.144 -0.508 194 HG3 ARG 31 2HG ARG 31 3.929 1.861 -2.022 195 HD3 ARG 31 2HD ARG 31 3.074 0.667 0.581 196 HE ARG 31 HE ARG 31 4.462 -1.117 0.369 197 HH11 ARG 31 1HH1 ARG 31 6.184 1.635 -1.109 198 HH12 ARG 31 2HH1 ARG 31 7.657 0.698 -1.279 199 HH21 ARG 31 1HH2 ARG 31 6.310 -2.145 0.269 200 HH22 ARG 31 2HH2 ARG 31 7.774 -1.459 -0.453 201 H LEU 32 H LEU 32 -0.099 0.276 0.728 202 HA LEU 32 HA LEU 32 1.696 -1.929 1.478 203 HB3 LEU 32 2HB LEU 32 1.707 -0.135 2.904 204 HG LEU 32 HG LEU 32 -0.170 1.190 2.640 205 HD11 LEU 32 1HD1 LEU 32 -1.867 -1.134 3.560 206 HD12 LEU 32 2HD1 LEU 32 -1.898 -0.308 1.972 207 HD13 LEU 32 3HD1 LEU 32 -2.432 0.550 3.400 208 HD21 LEU 32 3HD2 LEU 32 -0.296 0.017 5.426 209 HD22 LEU 32 1HD2 LEU 32 -1.016 1.566 4.925 210 HD23 LEU 32 2HD2 LEU 32 0.736 1.353 4.871 211 H LEU 33 H LEU 33 -1.378 -1.854 0.066 212 HA LEU 33 HA LEU 33 -2.659 -3.749 1.833 213 HB3 LEU 33 2HB LEU 33 -4.270 -3.752 -0.343 214 HG LEU 33 HG LEU 33 -3.968 -1.332 1.441 215 HD11 LEU 33 1HD1 LEU 33 -6.026 -0.617 0.676 216 HD12 LEU 33 2HD1 LEU 33 -6.539 -2.242 0.139 217 HD13 LEU 33 3HD1 LEU 33 -5.361 -1.325 -0.791 218 HD21 LEU 33 3HD2 LEU 33 -5.973 -2.537 2.618 219 HD22 LEU 33 1HD2 LEU 33 -4.355 -3.161 2.942 220 HD23 LEU 33 2HD2 LEU 33 -5.405 -3.994 1.808 221 H GLY 34 H GLY 34 -0.749 -4.126 -1.197 222 HA2 GLY 34 1HA GLY 34 -1.523 -6.900 -1.556 223 HA3 GLY 34 2HA GLY 34 -0.122 -6.066 -2.237 224 H GLU 35 H GLU 35 0.952 -5.059 0.280 225 HA GLU 35 HA GLU 35 2.405 -7.312 1.227 226 HB3 GLU 35 2HB GLU 35 3.372 -5.848 2.873 227 HG3 GLU 35 2HG GLU 35 2.758 -4.073 0.481 228 H TRP 36 H TRP 36 -0.697 -6.190 2.115 229 HA TRP 36 HA TRP 36 -0.949 -7.774 4.627 230 HB3 TRP 36 2HB TRP 36 -2.837 -6.107 2.949 231 HD1 TRP 36 HD TRP 36 -3.273 -7.761 6.424 232 HE1 TRP 36 1HE TRP 36 -5.724 -8.525 6.658 233 HE3 TRP 36 3HE TRP 36 -4.938 -6.802 1.660 234 HZ2 TRP 36 2HZ TRP 36 -8.053 -8.743 5.023 235 HZ3 TRP 36 3HZ TRP 36 -7.244 -7.426 1.000 236 HH2 TRP 36 HH TRP 36 -8.829 -8.372 2.688 237 H ALA 37 H ALA 37 -2.597 -7.899 1.403 238 HA ALA 37 HA ALA 37 -3.672 -10.432 1.768 239 HB1 ALA 37 1HB ALA 37 -2.894 -8.941 -0.769 240 HB2 ALA 37 2HB ALA 37 -3.862 -10.427 -0.752 241 HB3 ALA 37 3HB ALA 37 -4.480 -8.960 0.038 242 H ALA 38 H ALA 38 -0.397 -9.639 0.633 243 HA ALA 38 HA ALA 38 0.471 -11.914 -0.591 244 HB1 ALA 38 1HB ALA 38 1.940 -9.968 -0.269 245 HB2 ALA 38 2HB ALA 38 1.954 -10.219 1.479 246 HB3 ALA 38 3HB ALA 38 2.714 -11.403 0.410 247 H GLY 39 H GLY 39 0.802 -11.392 2.949 248 HA2 GLY 39 1HA GLY 39 1.700 -13.967 3.613 249 HA3 GLY 39 2HA GLY 39 0.836 -12.857 4.701 250 H LEU 40 H LEU 40 -1.651 -12.699 3.440 251 HA LEU 40 HA LEU 40 -2.938 -15.010 4.519 252 HB3 LEU 40 2HB LEU 40 -4.978 -14.071 3.629 253 HG LEU 40 HG LEU 40 -3.297 -11.628 4.304 254 HD11 LEU 40 1HD1 LEU 40 -5.518 -11.121 3.480 255 HD12 LEU 40 2HD1 LEU 40 -5.465 -10.812 5.219 256 HD13 LEU 40 3HD1 LEU 40 -6.256 -12.280 4.606 257 HD21 LEU 40 3HD2 LEU 40 -4.618 -13.535 6.278 258 HD22 LEU 40 1HD2 LEU 40 -3.888 -11.950 6.658 259 HD23 LEU 40 2HD2 LEU 40 -2.871 -13.256 6.079 260 H LEU 41 H LEU 41 -2.034 -14.137 1.227 261 HA LEU 41 HA LEU 41 -3.216 -16.526 0.006 262 HB3 LEU 41 2HB LEU 41 -2.112 -15.604 -2.060 263 HG LEU 41 HG LEU 41 -3.738 -13.475 -0.591 264 HD11 LEU 41 1HD1 LEU 41 -2.615 -12.602 -2.583 265 HD12 LEU 41 2HD1 LEU 41 -4.351 -12.782 -2.907 266 HD13 LEU 41 3HD1 LEU 41 -3.219 -13.983 -3.540 267 HD21 LEU 41 3HD2 LEU 41 -5.637 -14.486 -1.950 268 HD22 LEU 41 1HD2 LEU 41 -5.071 -15.456 -0.580 269 HD23 LEU 41 2HD2 LEU 41 -4.573 -15.875 -2.225 270 H GLY 42 H GLY 42 -0.534 -16.202 1.922 271 HA2 GLY 42 1HA GLY 42 0.994 -17.841 2.430 272 HA3 GLY 42 2HA GLY 42 0.599 -18.707 0.942 273 H LYS 43 H LYS 43 1.363 -15.343 0.496 274 HA LYS 43 HA LYS 43 3.797 -16.112 -0.971 275 HB3 LYS 43 2HB LYS 43 3.618 -13.881 -1.937 276 HG3 LYS 43 2HG LYS 43 0.874 -15.208 -1.864 277 HD3 LYS 43 2HD LYS 43 2.130 -13.478 -4.032 278 HE3 LYS 43 2HE LYS 43 -0.501 -14.995 -3.712 279 HZ1 LYS 43 3HZ LYS 43 0.176 -13.198 -5.963 280 HZ2 LYS 43 1HZ LYS 43 -0.908 -12.815 -4.783 281 HZ3 LYS 43 2HZ LYS 43 -1.192 -14.080 -5.738 282 H THR 44 H THR 44 5.781 -15.587 -0.273 283 HA THR 44 HA THR 44 6.248 -13.705 1.958 284 HB THR 44 HB THR 44 7.779 -15.474 2.941 285 HG1 THR 44 1HG THR 44 7.156 -17.684 2.261 286 HG21 THR 44 3HG2 THR 44 6.073 -16.787 4.096 287 HG22 THR 44 1HG2 THR 44 4.850 -16.336 2.900 288 HG23 THR 44 2HG2 THR 44 5.543 -15.098 3.969 289 H GLY 45 H GLY 45 8.679 -13.284 2.108 290 HA2 GLY 45 1HA GLY 45 10.603 -12.649 1.107 291 HA3 GLY 45 2HA GLY 45 10.492 -14.162 0.191 292 H ASP 46 H ASP 46 10.889 -13.648 -1.940 293 HA ASP 46 HA ASP 46 10.232 -11.028 -2.986 294 HB3 ASP 46 2HB ASP 46 11.016 -13.492 -4.556 295 H ASP 47 H ASP 47 8.602 -14.124 -2.790 296 HA ASP 47 HA ASP 47 6.670 -13.748 -4.854 297 HB3 ASP 47 2HB ASP 47 5.577 -15.211 -2.591 298 H ALA 48 H ALA 48 6.942 -12.552 -1.567 299 HA ALA 48 HA ALA 48 4.216 -11.395 -1.529 300 HB1 ALA 48 1HB ALA 48 5.010 -10.298 0.566 301 HB2 ALA 48 2HB ALA 48 5.197 -12.056 0.623 302 HB3 ALA 48 3HB ALA 48 6.614 -11.017 0.344 303 H ARG 49 H ARG 49 7.637 -10.335 -1.870 304 HA ARG 49 HA ARG 49 7.060 -7.579 -1.891 305 HB3 ARG 49 2HB ARG 49 9.236 -8.854 -1.606 306 HG3 ARG 49 2HG ARG 49 9.478 -7.646 -4.379 307 HD3 ARG 49 2HD ARG 49 11.214 -7.082 -2.802 308 HE ARG 49 HE ARG 49 11.478 -8.992 -1.373 309 HH11 ARG 49 1HH1 ARG 49 12.917 -9.757 -4.489 310 HH12 ARG 49 2HH1 ARG 49 14.334 -10.478 -3.792 311 HH21 ARG 49 1HH2 ARG 49 13.112 -10.421 -0.580 312 HH22 ARG 49 2HH2 ARG 49 14.386 -10.906 -1.656 313 H ALA 50 H ALA 50 7.485 -9.770 -4.617 314 HA ALA 50 HA ALA 50 7.091 -7.792 -6.653 315 HB1 ALA 50 1HB ALA 50 8.258 -9.941 -7.059 316 HB2 ALA 50 2HB ALA 50 6.743 -10.831 -6.772 317 HB3 ALA 50 3HB ALA 50 6.881 -9.742 -8.177 318 H TYR 51 H TYR 51 4.817 -10.164 -5.143 319 HA TYR 51 HA TYR 51 2.536 -9.465 -6.638 320 HB3 TYR 51 2HB TYR 51 2.901 -10.454 -3.793 321 HD1 TYR 51 2HD TYR 51 0.280 -10.342 -6.525 322 HD2 TYR 51 1HD TYR 51 1.124 -10.080 -2.303 323 HE1 TYR 51 2HE TYR 51 -2.118 -10.049 -6.064 324 HE2 TYR 51 1HE TYR 51 -1.233 -9.777 -1.836 325 HH TYR 51 HH TYR 51 -3.659 -9.494 -4.485 326 H ALA 52 H ALA 52 3.797 -8.020 -3.581 327 HA ALA 52 HA ALA 52 1.772 -6.111 -3.191 328 HB1 ALA 52 1HB ALA 52 3.464 -4.884 -1.891 329 HB2 ALA 52 2HB ALA 52 3.603 -6.636 -1.590 330 HB3 ALA 52 3HB ALA 52 4.760 -5.802 -2.651 331 H LEU 53 H LEU 53 4.551 -6.036 -5.346 332 HA LEU 53 HA LEU 53 4.259 -3.261 -6.134 333 HB3 LEU 53 2HB LEU 53 6.048 -3.857 -7.795 334 HG LEU 53 HG LEU 53 6.455 -4.614 -4.881 335 HD11 LEU 53 1HD1 LEU 53 8.098 -5.844 -6.181 336 HD12 LEU 53 2HD1 LEU 53 8.870 -4.537 -5.280 337 HD13 LEU 53 3HD1 LEU 53 8.568 -4.358 -7.025 338 HD21 LEU 53 3HD2 LEU 53 5.993 -2.236 -5.245 339 HD22 LEU 53 1HD2 LEU 53 7.337 -2.165 -6.405 340 HD23 LEU 53 2HD2 LEU 53 7.653 -2.523 -4.700 341 H THR 54 H THR 54 2.092 -5.665 -6.771 342 HA THR 54 HA THR 54 1.260 -4.162 -9.159 343 HB THR 54 HB THR 54 2.208 -6.116 -10.082 344 HG1 THR 54 1HG THR 54 -0.587 -6.054 -9.991 345 HG21 THR 54 3HG2 THR 54 2.233 -7.700 -8.269 346 HG22 THR 54 1HG2 THR 54 1.370 -8.398 -9.634 347 HG23 THR 54 2HG2 THR 54 0.453 -7.782 -8.241 348 H VAL 55 H VAL 55 0.543 -3.754 -6.342 349 HA VAL 55 HA VAL 55 -2.397 -4.138 -6.629 350 HB VAL 55 HB VAL 55 -0.737 -4.554 -4.107 351 HG11 VAL 55 1HG1 VAL 55 -2.881 -3.506 -3.503 352 HG12 VAL 55 2HG1 VAL 55 -3.751 -4.697 -4.516 353 HG13 VAL 55 3HG1 VAL 55 -2.906 -5.212 -3.051 354 HG21 VAL 55 3HG2 VAL 55 -0.722 -6.539 -5.634 355 HG22 VAL 55 1HG2 VAL 55 -1.579 -6.857 -4.132 356 HG23 VAL 55 2HG2 VAL 55 -2.490 -6.533 -5.615 357 H VAL 56 H VAL 56 -2.456 -1.977 -7.528 358 HA VAL 56 HA VAL 56 -2.797 -0.023 -5.409 359 HB VAL 56 HB VAL 56 -1.124 0.822 -7.810 360 HG11 VAL 56 1HG1 VAL 56 -1.646 2.280 -5.192 361 HG12 VAL 56 2HG1 VAL 56 -0.786 2.900 -6.617 362 HG13 VAL 56 3HG1 VAL 56 -2.519 2.598 -6.712 363 HG21 VAL 56 3HG2 VAL 56 0.332 -0.594 -6.462 364 HG22 VAL 56 1HG2 VAL 56 0.816 1.090 -6.399 365 HG23 VAL 56 2HG2 VAL 56 -0.048 0.370 -5.016 366 H THR 57 H THR 57 -4.831 0.695 -5.820 367 HA THR 57 HA THR 57 -5.261 2.063 -8.342 368 HB THR 57 HB THR 57 -6.199 -0.026 -9.015 369 HG1 THR 57 1HG THR 57 -8.357 0.649 -9.367 370 HG21 THR 57 3HG2 THR 57 -6.660 -1.089 -6.846 371 HG22 THR 57 1HG2 THR 57 -8.089 -1.075 -7.884 372 HG23 THR 57 2HG2 THR 57 -7.965 0.076 -6.534 373 H SER 58 H SER 58 -6.527 1.246 -5.079 374 HA SER 58 HA SER 58 -7.345 2.499 -3.446 375 HB3 SER 58 2HB SER 58 -7.235 4.866 -3.324 376 HG SER 58 HG SER 58 -5.211 5.259 -4.713 377 H ASP 59 H ASP 59 -8.963 1.088 -5.019 378 HA ASP 59 HA ASP 59 -11.299 2.347 -6.081 379 HB3 ASP 59 2HB ASP 59 -10.818 -0.430 -5.001 380 H PHE 60 H PHE 60 -13.500 1.539 -5.160 381 HA PHE 60 HA PHE 60 -15.125 1.275 -3.640 382 HB3 PHE 60 2HB PHE 60 -13.030 0.447 -1.632 383 HD1 PHE 60 2HD PHE 60 -16.146 1.156 -1.085 384 HD2 PHE 60 1HD PHE 60 -13.905 -2.448 -1.820 385 HE1 PHE 60 2HE PHE 60 -17.752 -0.121 0.253 386 HE2 PHE 60 1HE PHE 60 -15.508 -3.749 -0.388 387 HZ PHE 60 HZ PHE 60 -17.454 -2.563 0.623 388 H ASP 61 H ASP 61 -14.774 3.794 -3.965 389 HA ASP 61 HA ASP 61 -15.514 4.728 -1.286 390 HB3 ASP 61 2HB ASP 61 -14.536 7.088 -2.390 391 H GLU 62 H GLU 62 -17.537 5.138 -1.415 392 HA GLU 62 HA GLU 62 -19.634 5.502 -2.063 393 HB3 GLU 62 2HB GLU 62 -18.762 7.180 -4.413 394 HG3 GLU 62 2HG GLU 62 -21.175 7.228 -3.796 395 HA PRO 63 HA PRO 63 -20.185 2.275 -5.073 396 HB3 PRO 63 2HB PRO 63 -22.202 1.714 -4.139 397 HG3 PRO 63 2HG PRO 63 -23.683 3.398 -3.317 398 HD3 PRO 63 2HD PRO 63 -21.569 3.841 -2.329 399 H GLY 64 H GLY 64 -19.758 2.120 -7.198 400 HA2 GLY 64 1HA GLY 64 -21.074 3.147 -9.308 401 HA3 GLY 64 2HA GLY 64 -19.916 4.446 -8.986 402 H ASP 65 H ASP 65 -18.051 1.932 -8.035 403 HA ASP 65 HA ASP 65 -17.342 1.058 -10.786 404 HB3 ASP 65 2HB ASP 65 -15.169 1.811 -8.822 405 H GLU 66 H GLU 66 -15.849 0.436 -7.600 406 HA GLU 66 HA GLU 66 -15.522 -1.414 -6.398 407 HB3 GLU 66 2HB GLU 66 -18.369 -2.174 -7.157 408 HG3 GLU 66 2HG GLU 66 -16.907 -2.493 -4.485 409 H ASP 67 H ASP 67 -13.883 -2.217 -7.710 410 HA ASP 67 HA ASP 67 -14.624 -4.866 -8.922 411 HB3 ASP 67 2HB ASP 67 -12.249 -4.492 -10.079 412 H VAL 68 H VAL 68 -12.232 -3.018 -6.926 413 HA VAL 68 HA VAL 68 -10.425 -5.169 -6.601 414 HB VAL 68 HB VAL 68 -11.068 -2.883 -4.700 415 HG11 VAL 68 1HG1 VAL 68 -8.517 -4.549 -4.847 416 HG12 VAL 68 2HG1 VAL 68 -8.893 -3.202 -3.734 417 HG13 VAL 68 3HG1 VAL 68 -9.746 -4.725 -3.594 418 HG21 VAL 68 3HG2 VAL 68 -9.112 -1.816 -5.738 419 HG22 VAL 68 1HG2 VAL 68 -8.915 -3.196 -6.847 420 HG23 VAL 68 2HG2 VAL 68 -10.331 -2.142 -6.973 421 H PHE 69 H PHE 69 -13.275 -4.297 -4.600 422 HA PHE 69 HA PHE 69 -13.060 -6.308 -2.646 423 HB3 PHE 69 2HB PHE 69 -15.413 -4.912 -3.975 424 HD1 PHE 69 1HD PHE 69 -14.713 -7.609 -1.542 425 HD2 PHE 69 2HD PHE 69 -17.455 -4.496 -2.688 426 HE1 PHE 69 1HE PHE 69 -16.498 -8.718 -0.277 427 HE2 PHE 69 2HE PHE 69 -19.239 -5.564 -1.354 428 HZ PHE 69 HZ PHE 69 -18.780 -7.691 -0.165 429 H ARG 70 H ARG 70 -14.782 -6.304 -5.752 430 HA ARG 70 HA ARG 70 -15.757 -8.959 -5.761 431 HB3 ARG 70 2HB ARG 70 -15.194 -6.904 -7.903 432 HG3 ARG 70 2HG ARG 70 -16.537 -9.594 -8.218 433 HD3 ARG 70 2HD ARG 70 -17.210 -8.322 -10.464 434 HE ARG 70 HE ARG 70 -18.978 -7.588 -8.229 435 HH11 ARG 70 1HH1 ARG 70 -18.224 -10.005 -10.696 436 HH12 ARG 70 2HH1 ARG 70 -19.458 -11.113 -10.249 437 HH21 ARG 70 1HH2 ARG 70 -20.717 -8.876 -7.733 438 HH22 ARG 70 2HH2 ARG 70 -20.903 -10.482 -8.403 439 H LYS 71 H LYS 71 -12.646 -7.714 -6.914 440 HA LYS 71 HA LYS 71 -11.832 -10.341 -7.879 441 HB3 LYS 71 2HB LYS 71 -9.498 -9.171 -7.821 442 HG3 LYS 71 2HG LYS 71 -10.802 -9.569 -9.842 443 HD3 LYS 71 2HD LYS 71 -11.841 -6.752 -9.439 444 HE3 LYS 71 2HE LYS 71 -11.455 -7.055 -11.759 445 HZ1 LYS 71 3HZ LYS 71 -12.654 -8.829 -12.917 446 HZ2 LYS 71 1HZ LYS 71 -13.056 -9.522 -11.471 447 HZ3 LYS 71 2HZ LYS 71 -11.486 -9.450 -11.919 448 H LEU 72 H LEU 72 -11.109 -8.441 -4.900 449 HA LEU 72 HA LEU 72 -9.279 -10.366 -3.814 450 HB3 LEU 72 2HB LEU 72 -10.185 -9.306 -1.560 451 HG LEU 72 HG LEU 72 -8.670 -7.668 -3.629 452 HD11 LEU 72 1HD1 LEU 72 -9.832 -6.299 -1.885 453 HD12 LEU 72 2HD1 LEU 72 -8.067 -6.214 -1.797 454 HD13 LEU 72 3HD1 LEU 72 -8.982 -7.232 -0.636 455 HD21 LEU 72 3HD2 LEU 72 -7.779 -9.345 -1.230 456 HD22 LEU 72 1HD2 LEU 72 -6.711 -8.255 -2.115 457 HD23 LEU 72 2HD2 LEU 72 -7.392 -9.665 -2.929 458 H ALA 73 H ALA 73 -12.882 -10.055 -3.411 459 HA ALA 73 HA ALA 73 -12.935 -12.153 -1.527 460 HB1 ALA 73 1HB ALA 73 -15.118 -11.265 -3.499 461 HB2 ALA 73 2HB ALA 73 -15.378 -12.202 -2.004 462 HB3 ALA 73 3HB ALA 73 -14.800 -10.531 -1.907 463 H ALA 74 H ALA 74 -12.437 -12.338 -4.934 464 HA ALA 74 HA ALA 74 -13.012 -15.233 -5.068 465 HB1 ALA 74 1HB ALA 74 -12.310 -15.003 -7.420 466 HB2 ALA 74 2HB ALA 74 -13.588 -13.847 -7.017 467 HB3 ALA 74 3HB ALA 74 -11.907 -13.297 -7.158 468 H ASP 75 H ASP 75 -10.169 -12.989 -5.413 469 HA ASP 75 HA ASP 75 -8.241 -15.014 -5.738 470 HB3 ASP 75 2HB ASP 75 -7.510 -12.447 -4.314 471 H LEU 76 H LEU 76 -9.379 -13.368 -2.844 472 HA LEU 76 HA LEU 76 -7.714 -14.814 -0.951 473 HB3 LEU 76 2HB LEU 76 -9.760 -12.644 -0.386 474 HG LEU 76 HG LEU 76 -8.600 -13.235 1.622 475 HD11 LEU 76 1HD1 LEU 76 -6.564 -14.323 0.779 476 HD12 LEU 76 2HD1 LEU 76 -6.146 -12.977 1.826 477 HD13 LEU 76 3HD1 LEU 76 -6.013 -12.794 0.061 478 HD21 LEU 76 3HD2 LEU 76 -7.647 -11.088 2.203 479 HD22 LEU 76 1HD2 LEU 76 -8.949 -10.778 1.037 480 HD23 LEU 76 2HD2 LEU 76 -7.258 -10.731 0.513 481 H GLU 77 H GLU 77 -10.221 -15.926 -2.450 482 HA GLU 77 HA GLU 77 -12.414 -16.200 -0.734 483 HB3 GLU 77 2HB GLU 77 -11.348 -18.052 -2.906 484 HG3 GLU 77 2HG GLU 77 -14.128 -17.802 -1.674 485 H GLY 78 H GLY 78 -12.312 -16.906 1.301 486 HA2 GLY 78 1HA GLY 78 -12.374 -18.840 2.707 487 HA3 GLY 78 2HA GLY 78 -10.902 -19.445 1.952 488 H LYS 79 H LYS 79 -10.336 -16.214 2.165 489 HA LYS 79 HA LYS 79 -9.115 -16.352 4.898 490 HB3 LYS 79 2HB LYS 79 -7.089 -15.368 3.929 491 HG3 LYS 79 2HG LYS 79 -7.945 -18.009 3.618 492 HD3 LYS 79 2HD LYS 79 -7.787 -17.189 0.966 493 HE3 LYS 79 2HE LYS 79 -5.139 -18.315 1.969 494 HZ1 LYS 79 3HZ LYS 79 -4.575 -18.969 -0.150 495 HZ2 LYS 79 1HZ LYS 79 -5.886 -18.293 -0.893 496 HZ3 LYS 79 2HZ LYS 79 -6.057 -19.606 0.074 497 H ALA 80 H ALA 80 -11.164 -14.554 2.941 498 HA ALA 80 HA ALA 80 -11.117 -12.491 5.017 499 HB1 ALA 80 1HB ALA 80 -11.270 -10.606 3.419 500 HB2 ALA 80 2HB ALA 80 -9.696 -11.418 3.358 501 HB3 ALA 80 3HB ALA 80 -10.915 -11.715 2.078 502 H ASP 81 H ASP 81 -13.081 -12.183 5.695 503 HA ASP 81 HA ASP 81 -15.543 -12.866 4.392 504 HB3 ASP 81 2HB ASP 81 -16.569 -11.592 6.176 505 H GLU 82 H GLU 82 -17.112 -11.186 3.702 506 HA GLU 82 HA GLU 82 -16.062 -9.259 1.882 507 HB3 GLU 82 2HB GLU 82 -18.379 -8.327 1.923 508 HG3 GLU 82 2HG GLU 82 -18.478 -11.374 1.892 509 H GLU 83 H GLU 83 -17.286 -8.994 5.194 510 HA GLU 83 HA GLU 83 -16.805 -6.191 5.435 511 HB3 GLU 83 2HB GLU 83 -17.123 -6.802 7.957 512 HG3 GLU 83 2HG GLU 83 -19.029 -6.794 5.634 513 H THR 84 H THR 84 -14.742 -8.934 5.808 514 HA THR 84 HA THR 84 -12.727 -7.608 7.452 515 HB THR 84 HB THR 84 -12.853 -10.141 5.809 516 HG1 THR 84 1HG THR 84 -14.053 -9.870 7.796 517 HG21 THR 84 3HG2 THR 84 -10.612 -9.466 7.709 518 HG22 THR 84 1HG2 THR 84 -10.468 -9.480 5.923 519 HG23 THR 84 2HG2 THR 84 -10.852 -10.968 6.799 520 H ILE 85 H ILE 85 -13.322 -8.040 3.881 521 HA ILE 85 HA ILE 85 -10.931 -6.506 3.273 522 HB ILE 85 HB ILE 85 -13.316 -6.529 1.358 523 HG13 ILE 85 2HG1 ILE 85 -12.620 -8.988 2.153 524 HG21 ILE 85 1HG2 ILE 85 -10.270 -6.605 1.005 525 HG22 ILE 85 2HG2 ILE 85 -11.500 -6.298 -0.243 526 HG23 ILE 85 3HG2 ILE 85 -11.190 -5.122 1.042 527 HD11 ILE 85 3HD1 ILE 85 -12.430 -8.262 -0.775 528 HD12 ILE 85 1HD1 ILE 85 -12.501 -9.904 -0.127 529 HD13 ILE 85 2HD1 ILE 85 -13.858 -8.802 0.135 530 H ARG 86 H ARG 86 -14.449 -5.670 3.289 531 HA ARG 86 HA ARG 86 -13.934 -2.982 2.554 532 HB3 ARG 86 2HB ARG 86 -16.079 -4.322 2.220 533 HG3 ARG 86 2HG ARG 86 -16.122 -4.276 5.056 534 HD3 ARG 86 2HD ARG 86 -18.677 -3.006 4.296 535 HE ARG 86 HE ARG 86 -17.273 -3.659 6.677 536 HH11 ARG 86 1HH1 ARG 86 -19.609 -1.287 5.570 537 HH12 ARG 86 2HH1 ARG 86 -19.388 -0.206 6.939 538 HH21 ARG 86 1HH2 ARG 86 -17.500 -2.626 8.728 539 HH22 ARG 86 2HH2 ARG 86 -18.287 -1.106 8.840 540 H ALA 87 H ALA 87 -13.792 -4.314 5.779 541 HA ALA 87 HA ALA 87 -14.121 -1.641 6.937 542 HB1 ALA 87 1HB ALA 87 -15.072 -3.626 8.101 543 HB2 ALA 87 2HB ALA 87 -13.428 -4.285 8.293 544 HB3 ALA 87 3HB ALA 87 -13.881 -2.772 9.092 545 H LYS 88 H LYS 88 -11.503 -3.919 6.037 546 HA LYS 88 HA LYS 88 -9.555 -2.821 7.759 547 HB3 LYS 88 2HB LYS 88 -9.192 -4.315 5.131 548 HG3 LYS 88 2HG LYS 88 -7.082 -3.132 5.938 549 HD3 LYS 88 2HD LYS 88 -7.587 -3.602 8.484 550 HE3 LYS 88 2HE LYS 88 -7.180 -6.286 7.472 551 HZ1 LYS 88 3HZ LYS 88 -5.551 -6.953 9.138 552 HZ2 LYS 88 1HZ LYS 88 -5.187 -5.393 9.451 553 HZ3 LYS 88 2HZ LYS 88 -4.874 -5.960 7.954 554 H MET 89 H MET 89 -9.784 -2.272 4.193 555 HA MET 89 HA MET 89 -7.539 -0.581 4.422 556 HB3 MET 89 2HB MET 89 -8.162 -1.903 2.493 557 HG3 MET 89 2HG MET 89 -9.549 0.352 1.185 558 HE1 MET 89 3HE MET 89 -11.345 -1.647 -1.474 559 HE2 MET 89 1HE MET 89 -11.969 -1.079 0.106 560 HE3 MET 89 2HE MET 89 -10.847 -0.073 -0.838 561 H VAL 90 H VAL 90 -10.671 0.136 4.978 562 HA VAL 90 HA VAL 90 -11.000 2.903 4.713 563 HB VAL 90 HB VAL 90 -11.798 1.139 7.077 564 HG11 VAL 90 1HG1 VAL 90 -13.631 2.679 7.424 565 HG12 VAL 90 2HG1 VAL 90 -12.128 3.587 7.511 566 HG13 VAL 90 3HG1 VAL 90 -13.138 3.649 6.038 567 HG21 VAL 90 3HG2 VAL 90 -13.312 1.747 4.498 568 HG22 VAL 90 1HG2 VAL 90 -12.588 0.184 4.945 569 HG23 VAL 90 2HG2 VAL 90 -13.904 0.839 5.910 570 H GLU 91 H GLU 91 -9.141 1.147 7.350 571 HA GLU 91 HA GLU 91 -8.734 3.689 8.718 572 HB3 GLU 91 2HB GLU 91 -9.105 1.386 9.815 573 HG3 GLU 91 2HG GLU 91 -6.097 1.233 9.311 574 H LEU 92 H LEU 92 -6.932 1.935 6.216 575 HA LEU 92 HA LEU 92 -4.346 2.321 7.057 576 HB3 LEU 92 2HB LEU 92 -4.190 1.920 4.392 577 HG LEU 92 HG LEU 92 -3.477 0.302 5.885 578 HD11 LEU 92 1HD1 LEU 92 -4.921 -1.432 6.949 579 HD12 LEU 92 2HD1 LEU 92 -6.315 -0.392 6.607 580 HD13 LEU 92 3HD1 LEU 92 -5.000 0.164 7.675 581 HD21 LEU 92 3HD2 LEU 92 -3.891 -1.605 4.566 582 HD22 LEU 92 1HD2 LEU 92 -4.473 -0.335 3.477 583 HD23 LEU 92 2HD2 LEU 92 -5.610 -1.275 4.448 584 H ARG 93 H ARG 93 -6.551 4.598 6.048 585 HA ARG 93 HA ARG 93 -4.966 6.357 4.560 586 HB3 ARG 93 2HB ARG 93 -6.464 8.143 5.693 587 HG3 ARG 93 2HG ARG 93 -7.619 5.774 4.221 588 HD3 ARG 93 2HD ARG 93 -9.336 6.752 5.748 589 HE ARG 93 HE ARG 93 -8.555 9.272 5.091 590 HH11 ARG 93 1HH1 ARG 93 -11.564 7.434 4.762 591 HH12 ARG 93 2HH1 ARG 93 -12.550 8.787 4.346 592 HH21 ARG 93 1HH2 ARG 93 -9.973 11.174 4.899 593 HH22 ARG 93 2HH2 ARG 93 -11.620 10.926 4.458 594 H ALA 94 H ALA 94 -5.242 5.734 8.080 595 HA ALA 94 HA ALA 94 -3.243 7.736 8.806 596 HB1 ALA 94 1HB ALA 94 -4.507 5.484 10.430 597 HB2 ALA 94 2HB ALA 94 -3.531 6.837 11.051 598 HB3 ALA 94 3HB ALA 94 -5.113 7.151 10.321 599 H THR 95 H THR 95 -3.382 4.086 8.822 600 HA THR 95 HA THR 95 -0.826 3.565 9.556 601 HB THR 95 HB THR 95 -2.352 1.976 7.498 602 HG1 THR 95 1HG THR 95 -2.603 2.021 10.345 603 HG21 THR 95 3HG2 THR 95 -0.183 1.006 7.867 604 HG22 THR 95 1HG2 THR 95 -1.375 0.024 8.712 605 HG23 THR 95 2HG2 THR 95 -0.349 1.142 9.637 606 H ALA 96 H ALA 96 -1.844 4.628 6.336 607 HA ALA 96 HA ALA 96 0.373 4.055 4.792 608 HB1 ALA 96 1HB ALA 96 -0.452 6.284 3.583 609 HB2 ALA 96 2HB ALA 96 -1.626 4.969 3.781 610 HB3 ALA 96 3HB ALA 96 -1.635 6.369 4.859 611 H ARG 97 H ARG 97 -0.045 6.970 6.834 612 HA ARG 97 HA ARG 97 2.608 8.009 6.011 613 HB3 ARG 97 2HB ARG 97 1.067 9.715 6.352 614 HG3 ARG 97 2HG ARG 97 0.334 8.739 9.155 615 HD3 ARG 97 2HD ARG 97 -0.328 11.106 7.413 616 HE ARG 97 HE ARG 97 -2.253 9.825 9.215 617 HH11 ARG 97 1HH1 ARG 97 -1.199 12.933 7.899 618 HH12 ARG 97 2HH1 ARG 97 -2.808 13.599 7.827 619 HH21 ARG 97 1HH2 ARG 97 -4.427 10.916 9.317 620 HH22 ARG 97 2HH2 ARG 97 -4.564 12.440 8.468 621 H GLU 98 H GLU 98 1.079 6.474 8.802 622 HA GLU 98 HA GLU 98 3.052 6.447 10.696 623 HB3 GLU 98 2HB GLU 98 1.832 3.991 10.958 624 HG3 GLU 98 2HG GLU 98 -0.172 5.634 11.760 625 H GLN 99 H GLN 99 2.610 3.860 8.158 626 HA GLN 99 HA GLN 99 4.868 2.386 9.021 627 HB3 GLN 99 2HB GLN 99 4.737 1.328 6.745 628 HG3 GLN 99 2HG GLN 99 2.056 1.539 8.156 629 HE21 GLN 99 1HE2 GLN 99 2.643 -1.397 8.765 630 HE22 GLN 99 2HE2 GLN 99 2.303 -2.235 7.257 631 H ILE 100 H ILE 100 4.801 5.284 7.000 632 HA ILE 100 HA ILE 100 7.488 4.797 5.883 633 HB ILE 100 HB ILE 100 5.751 7.260 5.957 634 HG13 ILE 100 2HG1 ILE 100 5.036 6.826 3.755 635 HG21 ILE 100 1HG2 ILE 100 8.405 6.676 4.604 636 HG22 ILE 100 2HG2 ILE 100 7.329 7.942 3.997 637 HG23 ILE 100 3HG2 ILE 100 7.975 8.032 5.658 638 HD11 ILE 100 3HD1 ILE 100 5.722 5.084 2.279 639 HD12 ILE 100 1HD1 ILE 100 7.158 5.980 2.713 640 HD13 ILE 100 2HD1 ILE 100 6.839 4.407 3.477 641 H ILE 101 H ILE 101 5.955 6.785 8.439 642 HA ILE 101 HA ILE 101 8.437 7.968 9.341 643 HB ILE 101 HB ILE 101 5.574 7.845 10.349 644 HG13 ILE 101 2HG1 ILE 101 6.148 9.119 8.211 645 HG21 ILE 101 1HG2 ILE 101 6.131 9.648 11.961 646 HG22 ILE 101 2HG2 ILE 101 6.954 8.165 12.346 647 HG23 ILE 101 3HG2 ILE 101 7.858 9.473 11.556 648 HD11 ILE 101 3HD1 ILE 101 5.445 11.078 10.396 649 HD12 ILE 101 1HD1 ILE 101 5.139 11.224 8.664 650 HD13 ILE 101 2HD1 ILE 101 4.277 9.985 9.607 651 H SER 102 H SER 102 7.097 4.927 9.662 652 HA SER 102 HA SER 102 8.531 4.203 12.147 653 HB3 SER 102 2HB SER 102 7.032 2.458 10.139 654 HG SER 102 HG SER 102 6.782 1.120 11.901 655 H GLU 103 H GLU 103 8.639 3.409 8.590 656 HA GLU 103 HA GLU 103 11.230 2.017 8.964 657 HB3 GLU 103 2HB GLU 103 10.647 0.966 6.835 658 HG3 GLU 103 2HG GLU 103 8.279 0.885 8.747 659 H ILE 104 H ILE 104 11.682 4.568 9.218 660 HA ILE 104 HA ILE 104 11.556 6.199 6.950 661 HB ILE 104 HB ILE 104 13.184 6.374 9.516 662 HG13 ILE 104 2HG1 ILE 104 10.630 6.563 9.499 663 HG21 ILE 104 1HG2 ILE 104 12.937 8.593 7.440 664 HG22 ILE 104 2HG2 ILE 104 13.712 8.723 9.040 665 HG23 ILE 104 3HG2 ILE 104 14.420 7.700 7.837 666 HD11 ILE 104 3HD1 ILE 104 11.819 7.517 11.356 667 HD12 ILE 104 1HD1 ILE 104 12.127 9.022 10.481 668 HD13 ILE 104 2HD1 ILE 104 10.470 8.575 10.884 Start of MODEL 2 1 H1 MET 1 H MET 1 16.492 27.831 -7.207 2 HA MET 1 HA MET 1 18.330 26.172 -7.141 3 HB3 MET 1 2HB MET 1 18.218 24.465 -5.319 4 HG3 MET 1 2HG MET 1 18.673 27.291 -4.297 5 HE1 MET 1 3HE MET 1 18.330 26.640 -1.777 6 HE2 MET 1 1HE MET 1 17.847 24.988 -2.226 7 HE3 MET 1 2HE MET 1 19.101 25.239 -1.000 8 H THR 2 H THR 2 17.185 23.393 -6.759 9 HA THR 2 HA THR 2 14.664 23.521 -8.137 10 HB THR 2 HB THR 2 16.310 23.931 -9.957 11 HG1 THR 2 1HG THR 2 14.624 23.011 -10.693 12 HG21 THR 2 3HG2 THR 2 17.442 21.188 -9.274 13 HG22 THR 2 1HG2 THR 2 18.294 22.740 -9.161 14 HG23 THR 2 2HG2 THR 2 17.784 22.126 -10.739 15 H THR 3 H THR 3 13.976 21.227 -8.549 16 HA THR 3 HA THR 3 15.084 19.249 -6.605 17 HB THR 3 HB THR 3 12.618 18.397 -6.602 18 HG1 THR 3 1HG THR 3 11.092 19.999 -6.876 19 HG21 THR 3 3HG2 THR 3 13.352 20.998 -5.185 20 HG22 THR 3 1HG2 THR 3 13.785 19.361 -4.649 21 HG23 THR 3 2HG2 THR 3 12.080 19.849 -4.699 22 H PHE 4 H PHE 4 16.445 19.103 -8.643 23 HA PHE 4 HA PHE 4 15.182 17.714 -10.895 24 HB3 PHE 4 2HB PHE 4 18.087 18.493 -10.542 25 HD1 PHE 4 2HD PHE 4 15.645 19.546 -13.140 26 HD2 PHE 4 1HD PHE 4 18.854 16.819 -12.205 27 HE1 PHE 4 2HE PHE 4 15.818 18.910 -15.523 28 HE2 PHE 4 1HE PHE 4 19.036 16.215 -14.584 29 HZ PHE 4 HZ PHE 4 17.507 17.251 -16.258 30 H ASP 5 H ASP 5 15.733 16.569 -8.016 31 HA ASP 5 HA ASP 5 17.824 14.596 -8.389 32 HB3 ASP 5 2HB ASP 5 15.811 14.385 -6.166 33 H ASP 6 H ASP 6 17.132 12.287 -7.671 34 HA ASP 6 HA ASP 6 14.669 11.394 -9.088 35 HB3 ASP 6 2HB ASP 6 16.803 11.161 -10.520 36 H ARG 7 H ARG 7 16.426 11.351 -6.166 37 HA ARG 7 HA ARG 7 15.060 8.900 -5.267 38 HB3 ARG 7 2HB ARG 7 17.341 8.658 -6.377 39 HG3 ARG 7 2HG ARG 7 18.228 10.508 -4.377 40 HD3 ARG 7 2HD ARG 7 19.718 7.851 -4.479 41 HE ARG 7 HE ARG 7 20.000 10.015 -2.489 42 HH11 ARG 7 1HH1 ARG 7 21.422 8.457 -5.312 43 HH12 ARG 7 2HH1 ARG 7 23.023 9.061 -5.093 44 HH21 ARG 7 1HH2 ARG 7 22.035 10.948 -2.196 45 HH22 ARG 7 2HH2 ARG 7 23.404 10.583 -3.166 46 H GLU 8 H GLU 8 16.090 8.541 -2.822 47 HA GLU 8 HA GLU 8 15.068 10.733 -1.246 48 HB3 GLU 8 2HB GLU 8 16.961 8.650 -0.206 49 HG3 GLU 8 2HG GLU 8 14.539 9.992 0.938 50 H ARG 9 H ARG 9 16.256 12.047 0.094 51 HA ARG 9 HA ARG 9 19.188 12.384 -0.340 52 HB3 ARG 9 2HB ARG 9 19.063 14.781 -0.422 53 HG3 ARG 9 2HG ARG 9 18.179 13.187 -2.583 54 HD3 ARG 9 2HD ARG 9 15.915 14.205 -2.270 55 HE ARG 9 HE ARG 9 15.820 16.396 -1.794 56 HH11 ARG 9 1HH1 ARG 9 18.255 16.105 -4.387 57 HH12 ARG 9 2HH1 ARG 9 18.497 17.833 -4.486 58 HH21 ARG 9 1HH2 ARG 9 16.150 18.623 -1.955 59 HH22 ARG 9 2HH2 ARG 9 17.130 19.301 -3.206 60 H ALA 10 H ALA 10 16.497 13.910 1.420 61 HA ALA 10 HA ALA 10 18.203 13.819 3.852 62 HB1 ALA 10 1HB ALA 10 18.407 15.881 2.419 63 HB2 ALA 10 2HB ALA 10 16.701 16.222 2.741 64 HB3 ALA 10 3HB ALA 10 17.866 16.196 4.082 65 H HIS 11 H HIS 11 15.256 12.909 2.973 66 HA HIS 11 HA HIS 11 13.192 12.632 4.101 67 HB3 HIS 11 2HB HIS 11 14.112 10.738 4.500 68 HD1 HIS 11 1HD HIS 11 16.393 9.705 4.111 69 HD2 HIS 11 2HD HIS 11 16.289 12.579 7.163 70 HE1 HIS 11 1HE HIS 11 18.824 10.066 4.813 71 H GLU 12 H GLU 12 12.613 12.501 6.869 72 HA GLU 12 HA GLU 12 11.371 13.780 8.250 73 HB3 GLU 12 2HB GLU 12 13.566 15.617 8.815 74 HG3 GLU 12 2HG GLU 12 12.540 13.301 10.443 75 H ALA 13 H ALA 13 9.832 14.780 7.334 76 HA ALA 13 HA ALA 13 8.515 16.098 6.103 77 HB1 ALA 13 1HB ALA 13 8.716 17.684 7.900 78 HB2 ALA 13 2HB ALA 13 10.190 18.376 7.185 79 HB3 ALA 13 3HB ALA 13 8.625 18.556 6.370 80 H LYS 14 H LYS 14 11.674 15.811 4.980 81 HA LYS 14 HA LYS 14 11.172 17.008 2.398 82 HB3 LYS 14 2HB LYS 14 12.535 14.887 1.616 83 HG3 LYS 14 2HG LYS 14 13.337 17.065 1.358 84 HD3 LYS 14 2HD LYS 14 14.478 17.156 4.168 85 HE3 LYS 14 2HE LYS 14 14.302 19.076 1.777 86 HZ1 LYS 14 3HZ LYS 14 15.707 19.349 4.350 87 HZ2 LYS 14 1HZ LYS 14 14.595 20.404 3.707 88 HZ3 LYS 14 2HZ LYS 14 16.105 20.186 3.024 89 H PHE 15 H PHE 15 9.468 14.449 3.969 90 HA PHE 15 HA PHE 15 8.266 13.175 1.757 91 HB3 PHE 15 2HB PHE 15 6.190 13.647 3.508 92 HD1 PHE 15 2HD PHE 15 9.469 11.836 4.190 93 HD2 PHE 15 1HD PHE 15 5.267 11.568 3.180 94 HE1 PHE 15 2HE PHE 15 9.589 9.357 4.230 95 HE2 PHE 15 1HE PHE 15 5.409 9.134 3.240 96 HZ PHE 15 HZ PHE 15 7.597 7.996 3.761 97 H ALA 16 H ALA 16 7.680 16.488 3.077 98 HA ALA 16 HA ALA 16 5.649 17.001 1.012 99 HB1 ALA 16 1HB ALA 16 7.003 18.805 3.068 100 HB2 ALA 16 2HB ALA 16 5.709 19.283 1.964 101 HB3 ALA 16 3HB ALA 16 5.392 18.044 3.199 102 H HIS 17 H HIS 17 9.020 17.801 1.748 103 HA HIS 17 HA HIS 17 9.250 19.871 -0.176 104 HB3 HIS 17 2HB HIS 17 11.782 18.603 0.710 105 HD1 HIS 17 1HD HIS 17 12.562 20.867 -0.776 106 HD2 HIS 17 2HD HIS 17 10.463 21.373 2.833 107 HE1 HIS 17 1HE HIS 17 13.013 23.258 -0.015 108 H ASP 18 H ASP 18 10.230 16.411 -0.343 109 HA ASP 18 HA ASP 18 11.124 16.718 -3.163 110 HB3 ASP 18 2HB ASP 18 12.597 14.756 -2.697 111 H ALA 19 H ALA 19 9.556 15.813 -4.274 112 HA ALA 19 HA ALA 19 7.407 14.343 -3.015 113 HB1 ALA 19 1HB ALA 19 6.979 15.836 -4.880 114 HB2 ALA 19 2HB ALA 19 8.059 14.898 -5.933 115 HB3 ALA 19 3HB ALA 19 6.564 14.166 -5.330 116 H GLU 20 H GLU 20 10.389 13.317 -4.461 117 HA GLU 20 HA GLU 20 9.710 10.685 -5.203 118 HB3 GLU 20 2HB GLU 20 12.002 10.217 -5.257 119 HG3 GLU 20 2HG GLU 20 13.196 12.042 -6.199 120 H LEU 21 H LEU 21 10.422 12.083 -1.986 121 HA LEU 21 HA LEU 21 10.344 9.540 -0.601 122 HB3 LEU 21 2HB LEU 21 9.902 11.422 1.404 123 HG LEU 21 HG LEU 21 12.421 10.676 -0.060 124 HD11 LEU 21 1HD1 LEU 21 12.741 12.845 0.908 125 HD12 LEU 21 2HD1 LEU 21 13.541 11.675 1.983 126 HD13 LEU 21 3HD1 LEU 21 11.951 12.363 2.421 127 HD21 LEU 21 3HD2 LEU 21 11.173 8.896 1.248 128 HD22 LEU 21 1HD2 LEU 21 11.240 9.936 2.677 129 HD23 LEU 21 2HD2 LEU 21 12.723 9.284 1.992 130 H ASN 22 H ASN 22 7.971 12.060 -1.412 131 HA ASN 22 HA ASN 22 5.819 10.891 0.061 132 HB3 ASN 22 2HB ASN 22 5.633 12.475 -2.541 133 HD21 ASN 22 1HD2 ASN 22 3.754 11.368 -3.314 134 HD22 ASN 22 2HD2 ASN 22 2.300 11.178 -2.357 135 H PHE 23 H PHE 23 6.911 10.452 -3.328 136 HA PHE 23 HA PHE 23 5.034 8.618 -4.258 137 HB3 PHE 23 2HB PHE 23 7.969 9.055 -4.847 138 HD1 PHE 23 1HD PHE 23 5.049 6.922 -5.956 139 HD2 PHE 23 2HD PHE 23 9.215 7.939 -6.501 140 HE1 PHE 23 1HE PHE 23 5.334 4.982 -7.462 141 HE2 PHE 23 2HE PHE 23 9.481 6.006 -8.016 142 HZ PHE 23 HZ PHE 23 7.541 4.532 -8.512 143 H LYS 24 H LYS 24 8.253 7.853 -2.875 144 HA LYS 24 HA LYS 24 8.185 5.116 -2.808 145 HB3 LYS 24 2HB LYS 24 9.451 5.590 -0.460 146 HG3 LYS 24 2HG LYS 24 11.374 6.633 -1.809 147 HD3 LYS 24 2HD LYS 24 10.473 4.184 -3.284 148 HE3 LYS 24 2HE LYS 24 12.811 5.239 -3.287 149 HZ1 LYS 24 3HZ LYS 24 13.163 3.830 -0.717 150 HZ2 LYS 24 1HZ LYS 24 12.968 5.473 -0.830 151 HZ3 LYS 24 2HZ LYS 24 14.234 4.699 -1.541 152 H ALA 25 H ALA 25 6.740 7.200 -0.291 153 HA ALA 25 HA ALA 25 5.709 4.915 1.187 154 HB1 ALA 25 1HB ALA 25 5.309 7.913 1.355 155 HB2 ALA 25 2HB ALA 25 4.521 6.772 2.465 156 HB3 ALA 25 3HB ALA 25 6.300 6.881 2.405 157 H GLU 26 H GLU 26 4.254 7.297 -1.099 158 HA GLU 26 HA GLU 26 1.591 6.344 -0.637 159 HB3 GLU 26 2HB GLU 26 2.695 7.848 -3.042 160 HG3 GLU 26 2HG GLU 26 -0.042 7.330 -1.863 161 H ALA 27 H ALA 27 4.264 5.161 -2.441 162 HA ALA 27 HA ALA 27 2.767 3.105 -3.901 163 HB1 ALA 27 1HB ALA 27 4.716 4.301 -4.891 164 HB2 ALA 27 2HB ALA 27 5.765 3.601 -3.639 165 HB3 ALA 27 3HB ALA 27 4.943 2.550 -4.818 166 H ARG 28 H ARG 28 3.258 3.324 -0.675 167 HA ARG 28 HA ARG 28 3.913 0.409 -0.405 168 HB3 ARG 28 2HB ARG 28 4.063 1.028 2.101 169 HG3 ARG 28 2HG ARG 28 6.345 2.305 1.645 170 HD3 ARG 28 2HD ARG 28 5.691 -0.586 1.048 171 HE ARG 28 HE ARG 28 7.665 -0.250 -0.222 172 HH11 ARG 28 1HH1 ARG 28 8.141 -0.719 3.158 173 HH12 ARG 28 2HH1 ARG 28 9.810 -0.333 3.264 174 HH21 ARG 28 1HH2 ARG 28 9.975 0.050 -0.321 175 HH22 ARG 28 2HH2 ARG 28 10.908 0.042 1.117 176 H ARG 29 H ARG 29 1.284 2.786 0.148 177 HA ARG 29 HA ARG 29 -0.078 1.376 2.123 178 HB3 ARG 29 2HB ARG 29 -0.696 3.659 1.561 179 HG3 ARG 29 2HG ARG 29 -1.383 2.451 -1.120 180 HD3 ARG 29 2HD ARG 29 -2.789 4.867 0.074 181 HE ARG 29 HE ARG 29 -2.880 5.477 -2.101 182 HH11 ARG 29 1HH1 ARG 29 -4.172 2.333 -2.119 183 HH12 ARG 29 2HH1 ARG 29 -3.790 1.859 -3.724 184 HH21 ARG 29 1HH2 ARG 29 -2.630 5.162 -4.375 185 HH22 ARG 29 2HH2 ARG 29 -2.928 3.656 -5.121 186 H ASN 30 H ASN 30 0.137 0.271 -1.140 187 HA ASN 30 HA ASN 30 -2.081 -1.696 -0.689 188 HB3 ASN 30 2HB ASN 30 -1.236 -1.249 -3.459 189 HD21 ASN 30 1HD2 ASN 30 -3.985 -0.332 -1.144 190 HD22 ASN 30 2HD2 ASN 30 -5.147 -1.047 -2.251 191 H ARG 31 H ARG 31 1.351 -1.305 -1.084 192 HA ARG 31 HA ARG 31 1.816 -3.791 -2.466 193 HB3 ARG 31 2HB ARG 31 3.430 -1.857 -2.310 194 HG3 ARG 31 2HG ARG 31 3.537 -1.901 0.311 195 HD3 ARG 31 2HD ARG 31 4.256 -4.262 0.676 196 HE ARG 31 HE ARG 31 6.450 -3.497 -1.138 197 HH11 ARG 31 1HH1 ARG 31 5.717 -5.706 1.596 198 HH12 ARG 31 2HH1 ARG 31 6.417 -7.077 0.838 199 HH21 ARG 31 1HH2 ARG 31 7.510 -5.377 -2.082 200 HH22 ARG 31 2HH2 ARG 31 7.577 -6.847 -1.184 201 H LEU 32 H LEU 32 1.053 -3.009 0.769 202 HA LEU 32 HA LEU 32 2.021 -5.597 1.834 203 HB3 LEU 32 2HB LEU 32 2.965 -3.844 2.970 204 HG LEU 32 HG LEU 32 1.998 -1.831 2.650 205 HD11 LEU 32 1HD1 LEU 32 -0.714 -2.893 3.493 206 HD12 LEU 32 2HD1 LEU 32 -0.249 -2.260 1.894 207 HD13 LEU 32 3HD1 LEU 32 -0.344 -1.174 3.258 208 HD21 LEU 32 3HD2 LEU 32 1.516 -0.901 4.810 209 HD22 LEU 32 1HD2 LEU 32 2.681 -2.233 5.018 210 HD23 LEU 32 2HD2 LEU 32 0.992 -2.492 5.429 211 H LEU 33 H LEU 33 -1.033 -4.090 1.025 212 HA LEU 33 HA LEU 33 -2.798 -5.112 2.769 213 HB3 LEU 33 2HB LEU 33 -3.937 -5.555 0.159 214 HG LEU 33 HG LEU 33 -5.022 -3.405 0.420 215 HD11 LEU 33 1HD1 LEU 33 -5.951 -5.269 1.728 216 HD12 LEU 33 2HD1 LEU 33 -6.162 -3.724 2.564 217 HD13 LEU 33 3HD1 LEU 33 -4.919 -4.855 3.115 218 HD21 LEU 33 3HD2 LEU 33 -2.976 -2.248 1.244 219 HD22 LEU 33 1HD2 LEU 33 -3.229 -2.963 2.836 220 HD23 LEU 33 2HD2 LEU 33 -4.415 -1.835 2.158 221 H GLY 34 H GLY 34 -1.142 -7.076 0.305 222 HA2 GLY 34 1HA GLY 34 -2.791 -9.321 0.461 223 HA3 GLY 34 2HA GLY 34 -1.079 -9.336 0.015 224 H GLU 35 H GLU 35 -0.352 -8.233 2.839 225 HA GLU 35 HA GLU 35 0.183 -10.776 4.033 226 HB3 GLU 35 2HB GLU 35 0.805 -9.420 6.035 227 HG3 GLU 35 2HG GLU 35 1.742 -8.295 3.368 228 H TRP 36 H TRP 36 -2.405 -8.610 4.399 229 HA TRP 36 HA TRP 36 -3.671 -9.696 6.772 230 HB3 TRP 36 2HB TRP 36 -4.599 -7.971 4.458 231 HD1 TRP 36 HD TRP 36 -5.966 -8.959 7.940 232 HE1 TRP 36 1HE TRP 36 -8.554 -9.028 7.732 233 HE3 TRP 36 3HE TRP 36 -6.515 -7.378 3.088 234 HZ2 TRP 36 2HZ TRP 36 -10.538 -8.293 5.888 235 HZ3 TRP 36 3HZ TRP 36 -8.791 -7.137 2.114 236 HH2 TRP 36 HH TRP 36 -10.805 -7.550 3.505 237 H ALA 37 H ALA 37 -4.872 -9.844 3.415 238 HA ALA 37 HA ALA 37 -6.553 -12.100 3.830 239 HB1 ALA 37 1HB ALA 37 -5.312 -10.868 1.297 240 HB2 ALA 37 2HB ALA 37 -6.636 -12.030 1.287 241 HB3 ALA 37 3HB ALA 37 -6.875 -10.430 2.020 242 H ALA 38 H ALA 38 -3.087 -12.083 3.202 243 HA ALA 38 HA ALA 38 -2.789 -14.603 1.996 244 HB1 ALA 38 1HB ALA 38 -1.045 -13.213 4.081 245 HB2 ALA 38 2HB ALA 38 -0.596 -14.667 3.174 246 HB3 ALA 38 3HB ALA 38 -0.864 -13.171 2.301 247 H GLY 39 H GLY 39 -2.853 -13.853 5.546 248 HA2 GLY 39 1HA GLY 39 -2.858 -16.537 6.409 249 HA3 GLY 39 2HA GLY 39 -3.488 -15.157 7.325 250 H LEU 40 H LEU 40 -5.612 -14.385 5.513 251 HA LEU 40 HA LEU 40 -7.671 -16.104 6.347 252 HB3 LEU 40 2HB LEU 40 -9.040 -14.933 4.545 253 HG LEU 40 HG LEU 40 -8.666 -14.281 6.981 254 HD11 LEU 40 1HD1 LEU 40 -6.587 -13.327 7.024 255 HD12 LEU 40 2HD1 LEU 40 -7.792 -12.135 7.526 256 HD13 LEU 40 3HD1 LEU 40 -7.080 -12.026 5.899 257 HD21 LEU 40 3HD2 LEU 40 -10.641 -13.556 6.194 258 HD22 LEU 40 1HD2 LEU 40 -9.949 -12.603 4.887 259 HD23 LEU 40 2HD2 LEU 40 -9.904 -12.003 6.552 260 H LEU 41 H LEU 41 -5.894 -15.943 3.298 261 HA LEU 41 HA LEU 41 -7.227 -18.271 2.108 262 HB3 LEU 41 2HB LEU 41 -5.627 -17.709 0.212 263 HG LEU 41 HG LEU 41 -7.366 -15.402 1.227 264 HD11 LEU 41 1HD1 LEU 41 -7.446 -14.747 -1.190 265 HD12 LEU 41 2HD1 LEU 41 -6.134 -15.899 -1.507 266 HD13 LEU 41 3HD1 LEU 41 -5.887 -14.499 -0.421 267 HD21 LEU 41 3HD2 LEU 41 -8.810 -17.236 0.941 268 HD22 LEU 41 1HD2 LEU 41 -7.909 -17.857 -0.448 269 HD23 LEU 41 2HD2 LEU 41 -8.907 -16.405 -0.612 270 H GLY 42 H GLY 42 -4.994 -18.161 4.509 271 HA2 GLY 42 1HA GLY 42 -3.761 -19.822 5.432 272 HA3 GLY 42 2HA GLY 42 -4.172 -20.882 4.082 273 H LYS 43 H LYS 43 -2.682 -17.871 3.147 274 HA LYS 43 HA LYS 43 -0.145 -19.252 2.454 275 HB3 LYS 43 2HB LYS 43 0.306 -17.227 1.153 276 HG3 LYS 43 2HG LYS 43 -2.574 -17.903 0.481 277 HD3 LYS 43 2HD LYS 43 -0.183 -17.704 -1.380 278 HE3 LYS 43 2HE LYS 43 -3.088 -16.920 -1.886 279 HZ1 LYS 43 3HZ LYS 43 -1.340 -16.394 -3.567 280 HZ2 LYS 43 1HZ LYS 43 -2.501 -17.385 -4.139 281 HZ3 LYS 43 2HZ LYS 43 -1.040 -18.017 -3.700 282 H THR 44 H THR 44 1.724 -18.649 3.604 283 HA THR 44 HA THR 44 1.742 -16.135 5.116 284 HB THR 44 HB THR 44 2.742 -17.203 7.091 285 HG1 THR 44 1HG THR 44 1.696 -19.586 5.915 286 HG21 THR 44 3HG2 THR 44 0.703 -17.737 8.221 287 HG22 THR 44 1HG2 THR 44 -0.134 -18.099 6.699 288 HG23 THR 44 2HG2 THR 44 0.364 -16.435 7.079 289 H GLY 45 H GLY 45 4.142 -15.984 6.063 290 HA2 GLY 45 1HA GLY 45 6.260 -15.568 5.486 291 HA3 GLY 45 2HA GLY 45 6.311 -17.277 5.075 292 H ASP 46 H ASP 46 6.941 -17.694 3.136 293 HA ASP 46 HA ASP 46 7.561 -15.631 1.191 294 HB3 ASP 46 2HB ASP 46 7.948 -18.626 0.973 295 H ASP 47 H ASP 47 4.889 -17.824 1.583 296 HA ASP 47 HA ASP 47 3.979 -17.777 -1.238 297 HB3 ASP 47 2HB ASP 47 1.796 -18.451 0.002 298 H ALA 48 H ALA 48 3.236 -16.310 1.865 299 HA ALA 48 HA ALA 48 1.222 -14.469 0.979 300 HB1 ALA 48 1HB ALA 48 3.251 -14.229 3.237 301 HB2 ALA 48 2HB ALA 48 1.747 -13.307 3.088 302 HB3 ALA 48 3HB ALA 48 1.670 -15.074 3.296 303 H ARG 49 H ARG 49 4.895 -14.093 1.320 304 HA ARG 49 HA ARG 49 5.151 -11.658 0.336 305 HB3 ARG 49 2HB ARG 49 6.884 -13.972 -0.647 306 HG3 ARG 49 2HG ARG 49 7.981 -11.828 0.946 307 HD3 ARG 49 2HD ARG 49 9.378 -11.470 -1.222 308 HE ARG 49 HE ARG 49 9.452 -14.347 -0.427 309 HH11 ARG 49 1HH1 ARG 49 11.107 -11.187 -0.455 310 HH12 ARG 49 2HH1 ARG 49 12.521 -11.823 0.326 311 HH21 ARG 49 1HH2 ARG 49 11.238 -15.121 0.453 312 HH22 ARG 49 2HH2 ARG 49 12.641 -14.108 0.833 313 H ALA 50 H ALA 50 4.682 -14.635 -1.678 314 HA ALA 50 HA ALA 50 5.112 -13.244 -4.160 315 HB1 ALA 50 1HB ALA 50 3.662 -15.896 -3.631 316 HB2 ALA 50 2HB ALA 50 4.269 -15.336 -5.193 317 HB3 ALA 50 3HB ALA 50 5.408 -15.738 -3.885 318 H TYR 51 H TYR 51 2.163 -14.353 -2.476 319 HA TYR 51 HA TYR 51 0.233 -13.289 -4.204 320 HB3 TYR 51 2HB TYR 51 0.293 -13.566 -1.179 321 HD1 TYR 51 1HD TYR 51 -2.199 -13.412 -3.998 322 HD2 TYR 51 2HD TYR 51 -1.332 -12.345 0.088 323 HE1 TYR 51 1HE TYR 51 -4.405 -12.326 -3.819 324 HE2 TYR 51 2HE TYR 51 -3.523 -11.343 0.291 325 HH TYR 51 HH TYR 51 -5.729 -10.974 -2.550 326 H ALA 52 H ALA 52 1.999 -11.631 -1.582 327 HA ALA 52 HA ALA 52 0.581 -9.247 -1.568 328 HB1 ALA 52 1HB ALA 52 2.310 -9.838 0.095 329 HB2 ALA 52 2HB ALA 52 3.587 -9.593 -1.125 330 HB3 ALA 52 3HB ALA 52 2.595 -8.229 -0.548 331 H LEU 53 H LEU 53 2.971 -10.275 -3.937 332 HA LEU 53 HA LEU 53 3.578 -7.592 -4.901 333 HB3 LEU 53 2HB LEU 53 4.815 -8.889 -6.672 334 HG LEU 53 HG LEU 53 5.250 -9.573 -3.737 335 HD11 LEU 53 1HD1 LEU 53 7.355 -10.611 -4.285 336 HD12 LEU 53 2HD1 LEU 53 6.969 -10.510 -6.025 337 HD13 LEU 53 3HD1 LEU 53 5.974 -11.486 -4.934 338 HD21 LEU 53 3HD2 LEU 53 7.262 -8.148 -4.021 339 HD22 LEU 53 1HD2 LEU 53 5.790 -7.249 -4.453 340 HD23 LEU 53 2HD2 LEU 53 6.841 -7.894 -5.726 341 H THR 54 H THR 54 0.807 -9.518 -5.272 342 HA THR 54 HA THR 54 0.056 -7.996 -7.692 343 HB THR 54 HB THR 54 0.789 -10.200 -8.353 344 HG1 THR 54 1HG THR 54 -1.297 -10.846 -9.319 345 HG21 THR 54 3HG2 THR 54 -0.464 -12.252 -7.805 346 HG22 THR 54 1HG2 THR 54 -1.395 -11.373 -6.582 347 HG23 THR 54 2HG2 THR 54 0.361 -11.580 -6.397 348 H VAL 55 H VAL 55 -0.454 -6.998 -5.179 349 HA VAL 55 HA VAL 55 -3.418 -7.253 -5.175 350 HB VAL 55 HB VAL 55 -1.947 -6.589 -2.635 351 HG11 VAL 55 1HG1 VAL 55 -4.605 -8.015 -3.088 352 HG12 VAL 55 2HG1 VAL 55 -3.931 -7.484 -1.537 353 HG13 VAL 55 3HG1 VAL 55 -4.447 -6.279 -2.719 354 HG21 VAL 55 3HG2 VAL 55 -0.978 -8.724 -3.177 355 HG22 VAL 55 1HG2 VAL 55 -2.198 -9.002 -1.941 356 HG23 VAL 55 2HG2 VAL 55 -2.556 -9.408 -3.624 357 H VAL 56 H VAL 56 -1.225 -5.279 -6.432 358 HA VAL 56 HA VAL 56 -1.907 -2.740 -5.285 359 HB VAL 56 HB VAL 56 -0.661 -1.964 -7.349 360 HG11 VAL 56 1HG1 VAL 56 0.326 -2.237 -5.047 361 HG12 VAL 56 2HG1 VAL 56 0.971 -3.789 -5.613 362 HG13 VAL 56 3HG1 VAL 56 1.471 -2.290 -6.409 363 HG21 VAL 56 3HG2 VAL 56 -1.030 -4.141 -8.614 364 HG22 VAL 56 1HG2 VAL 56 0.612 -3.500 -8.629 365 HG23 VAL 56 2HG2 VAL 56 0.210 -4.869 -7.570 366 H THR 57 H THR 57 -4.244 -3.627 -5.564 367 HA THR 57 HA THR 57 -5.441 -3.090 -8.207 368 HB THR 57 HB THR 57 -6.107 -5.043 -6.932 369 HG1 THR 57 1HG THR 57 -8.081 -3.095 -7.390 370 HG21 THR 57 3HG2 THR 57 -7.554 -4.997 -5.002 371 HG22 THR 57 1HG2 THR 57 -7.425 -3.244 -4.869 372 HG23 THR 57 2HG2 THR 57 -5.995 -4.258 -4.595 373 H SER 58 H SER 58 -4.276 -0.884 -7.814 374 HA SER 58 HA SER 58 -4.619 1.364 -7.694 375 HB3 SER 58 2HB SER 58 -6.724 2.128 -8.405 376 HG SER 58 HG SER 58 -6.494 1.033 -10.166 377 H ASP 59 H ASP 59 -7.107 2.601 -6.315 378 HA ASP 59 HA ASP 59 -6.782 1.738 -3.585 379 HB3 ASP 59 2HB ASP 59 -6.998 4.672 -4.167 380 H PHE 60 H PHE 60 -8.765 2.666 -2.367 381 HA PHE 60 HA PHE 60 -11.121 2.767 -4.059 382 HB3 PHE 60 2HB PHE 60 -11.937 3.687 -1.624 383 HD1 PHE 60 2HD PHE 60 -13.406 2.418 -3.493 384 HD2 PHE 60 1HD PHE 60 -10.919 0.534 -0.536 385 HE1 PHE 60 2HE PHE 60 -14.971 0.478 -3.409 386 HE2 PHE 60 1HE PHE 60 -12.428 -1.470 -0.574 387 HZ PHE 60 HZ PHE 60 -14.526 -1.386 -1.875 388 H ASP 61 H ASP 61 -8.745 5.075 -3.397 389 HA ASP 61 HA ASP 61 -10.519 7.401 -3.755 390 HB3 ASP 61 2HB ASP 61 -7.466 7.369 -3.729 391 H GLU 62 H GLU 62 -11.159 5.873 -5.740 392 HA GLU 62 HA GLU 62 -9.894 6.986 -8.140 393 HB3 GLU 62 2HB GLU 62 -10.314 4.550 -9.128 394 HG3 GLU 62 2HG GLU 62 -7.878 4.247 -7.517 395 HA PRO 63 HA PRO 63 -14.116 7.336 -9.297 396 HB3 PRO 63 2HB PRO 63 -13.120 8.643 -10.997 397 HG3 PRO 63 2HG PRO 63 -11.421 7.721 -12.440 398 HD3 PRO 63 2HD PRO 63 -10.691 7.792 -10.219 399 H GLY 64 H GLY 64 -14.057 4.887 -8.355 400 HA2 GLY 64 1HA GLY 64 -15.934 3.275 -9.771 401 HA3 GLY 64 2HA GLY 64 -14.301 2.754 -10.212 402 H ASP 65 H ASP 65 -16.116 3.767 -7.335 403 HA ASP 65 HA ASP 65 -14.738 2.093 -5.429 404 HB3 ASP 65 2HB ASP 65 -17.385 3.575 -5.124 405 H GLU 66 H GLU 66 -15.040 0.231 -6.877 406 HA GLU 66 HA GLU 66 -16.853 -1.618 -5.693 407 HB3 GLU 66 2HB GLU 66 -17.212 -1.195 -8.712 408 HG3 GLU 66 2HG GLU 66 -18.682 -3.061 -6.792 409 H ASP 67 H ASP 67 -15.004 -1.057 -8.727 410 HA ASP 67 HA ASP 67 -14.035 -3.669 -8.941 411 HB3 ASP 67 2HB ASP 67 -12.114 -2.251 -10.294 412 H VAL 68 H VAL 68 -12.683 -1.013 -7.090 413 HA VAL 68 HA VAL 68 -10.091 -2.049 -6.572 414 HB VAL 68 HB VAL 68 -11.999 -0.331 -4.945 415 HG11 VAL 68 1HG1 VAL 68 -9.029 -0.828 -4.463 416 HG12 VAL 68 2HG1 VAL 68 -10.017 0.408 -3.657 417 HG13 VAL 68 3HG1 VAL 68 -10.379 -1.283 -3.393 418 HG21 VAL 68 3HG2 VAL 68 -9.522 0.582 -6.464 419 HG22 VAL 68 1HG2 VAL 68 -11.137 0.565 -7.211 420 HG23 VAL 68 2HG2 VAL 68 -10.830 1.556 -5.798 421 H PHE 69 H PHE 69 -13.284 -2.799 -5.019 422 HA PHE 69 HA PHE 69 -11.939 -4.482 -3.017 423 HB3 PHE 69 2HB PHE 69 -14.240 -3.144 -2.880 424 HD1 PHE 69 2HD PHE 69 -14.754 -6.768 -2.677 425 HD2 PHE 69 1HD PHE 69 -16.211 -3.044 -4.170 426 HE1 PHE 69 2HE PHE 69 -16.872 -7.912 -3.418 427 HE2 PHE 69 1HE PHE 69 -18.300 -4.149 -4.927 428 HZ PHE 69 HZ PHE 69 -18.638 -6.571 -4.561 429 H ARG 70 H ARG 70 -13.537 -4.810 -6.106 430 HA ARG 70 HA ARG 70 -14.267 -7.431 -6.167 431 HB3 ARG 70 2HB ARG 70 -13.090 -5.766 -8.418 432 HG3 ARG 70 2HG ARG 70 -13.154 -8.052 -9.206 433 HD3 ARG 70 2HD ARG 70 -16.044 -7.901 -8.262 434 HE ARG 70 HE ARG 70 -15.126 -9.223 -10.580 435 HH11 ARG 70 1HH1 ARG 70 -17.099 -9.785 -7.685 436 HH12 ARG 70 2HH1 ARG 70 -17.951 -11.131 -8.303 437 HH21 ARG 70 1HH2 ARG 70 -16.241 -11.016 -11.471 438 HH22 ARG 70 2HH2 ARG 70 -17.463 -11.831 -10.541 439 H LYS 71 H LYS 71 -10.936 -6.310 -7.017 440 HA LYS 71 HA LYS 71 -10.168 -8.994 -7.779 441 HB3 LYS 71 2HB LYS 71 -7.841 -8.121 -7.750 442 HG3 LYS 71 2HG LYS 71 -9.173 -7.825 -9.817 443 HD3 LYS 71 2HD LYS 71 -9.774 -5.157 -8.519 444 HE3 LYS 71 2HE LYS 71 -8.886 -4.696 -10.776 445 HZ1 LYS 71 3HZ LYS 71 -9.624 -6.662 -11.950 446 HZ2 LYS 71 1HZ LYS 71 -10.347 -5.338 -12.623 447 HZ3 LYS 71 2HZ LYS 71 -11.217 -6.306 -11.671 448 H LEU 72 H LEU 72 -10.266 -7.412 -4.669 449 HA LEU 72 HA LEU 72 -8.639 -9.505 -3.374 450 HB3 LEU 72 2HB LEU 72 -9.924 -8.361 -1.295 451 HG LEU 72 HG LEU 72 -7.622 -7.232 -2.921 452 HD11 LEU 72 1HD1 LEU 72 -7.098 -5.660 -1.146 453 HD12 LEU 72 2HD1 LEU 72 -8.537 -6.150 -0.236 454 HD13 LEU 72 3HD1 LEU 72 -8.705 -5.308 -1.794 455 HD21 LEU 72 3HD2 LEU 72 -7.292 -9.349 -1.656 456 HD22 LEU 72 1HD2 LEU 72 -7.782 -8.539 -0.158 457 HD23 LEU 72 2HD2 LEU 72 -6.298 -8.043 -0.998 458 H ALA 73 H ALA 73 -12.128 -8.531 -3.394 459 HA ALA 73 HA ALA 73 -13.036 -10.705 -1.906 460 HB1 ALA 73 1HB ALA 73 -15.264 -10.178 -2.970 461 HB2 ALA 73 2HB ALA 73 -14.431 -8.806 -2.245 462 HB3 ALA 73 3HB ALA 73 -14.422 -9.015 -4.021 463 H ALA 74 H ALA 74 -12.577 -10.570 -5.468 464 HA ALA 74 HA ALA 74 -13.816 -13.006 -6.109 465 HB1 ALA 74 1HB ALA 74 -12.327 -12.930 -8.112 466 HB2 ALA 74 2HB ALA 74 -13.110 -11.374 -7.783 467 HB3 ALA 74 3HB ALA 74 -11.408 -11.620 -7.360 468 H ASP 75 H ASP 75 -10.530 -12.382 -4.868 469 HA ASP 75 HA ASP 75 -9.656 -15.164 -5.131 470 HB3 ASP 75 2HB ASP 75 -8.271 -13.209 -3.289 471 H LEU 76 H LEU 76 -10.407 -12.903 -2.608 472 HA LEU 76 HA LEU 76 -10.221 -14.564 -0.321 473 HB3 LEU 76 2HB LEU 76 -11.352 -11.773 -0.728 474 HG LEU 76 HG LEU 76 -11.415 -12.260 1.663 475 HD11 LEU 76 1HD1 LEU 76 -8.557 -13.214 1.203 476 HD12 LEU 76 2HD1 LEU 76 -9.902 -14.120 1.915 477 HD13 LEU 76 3HD1 LEU 76 -9.184 -12.771 2.806 478 HD21 LEU 76 3HD2 LEU 76 -9.999 -10.415 2.330 479 HD22 LEU 76 1HD2 LEU 76 -10.666 -10.054 0.747 480 HD23 LEU 76 2HD2 LEU 76 -8.982 -10.599 0.898 481 H GLU 77 H GLU 77 -12.548 -15.001 -2.352 482 HA GLU 77 HA GLU 77 -15.010 -14.304 -1.441 483 HB3 GLU 77 2HB GLU 77 -14.124 -16.876 -2.805 484 HG3 GLU 77 2HG GLU 77 -16.759 -15.373 -2.691 485 H GLY 78 H GLY 78 -16.101 -14.674 0.281 486 HA2 GLY 78 1HA GLY 78 -17.295 -16.037 1.796 487 HA3 GLY 78 2HA GLY 78 -15.959 -17.199 1.828 488 H LYS 79 H LYS 79 -14.205 -14.518 2.037 489 HA LYS 79 HA LYS 79 -14.231 -14.761 5.024 490 HB3 LYS 79 2HB LYS 79 -11.765 -14.945 4.846 491 HG3 LYS 79 2HG LYS 79 -13.242 -16.969 3.122 492 HD3 LYS 79 2HD LYS 79 -11.927 -18.580 4.536 493 HE3 LYS 79 2HE LYS 79 -9.930 -17.064 2.856 494 HZ1 LYS 79 3HZ LYS 79 -9.556 -19.351 2.105 495 HZ2 LYS 79 1HZ LYS 79 -10.754 -19.898 3.042 496 HZ3 LYS 79 2HZ LYS 79 -9.423 -19.204 3.753 497 H ALA 80 H ALA 80 -14.501 -12.294 2.747 498 HA ALA 80 HA ALA 80 -14.121 -10.437 4.929 499 HB1 ALA 80 1HB ALA 80 -11.789 -10.466 4.052 500 HB2 ALA 80 2HB ALA 80 -12.417 -10.015 2.442 501 HB3 ALA 80 3HB ALA 80 -12.594 -8.902 3.810 502 H ASP 81 H ASP 81 -15.777 -9.116 4.796 503 HA ASP 81 HA ASP 81 -17.534 -9.015 2.580 504 HB3 ASP 81 2HB ASP 81 -18.940 -7.695 3.893 505 H GLU 82 H GLU 82 -18.223 -7.018 1.420 506 HA GLU 82 HA GLU 82 -16.347 -5.424 0.178 507 HB3 GLU 82 2HB GLU 82 -18.314 -3.708 0.129 508 HG3 GLU 82 2HG GLU 82 -18.840 -6.515 -0.923 509 H GLU 83 H GLU 83 -18.327 -4.430 2.994 510 HA GLU 83 HA GLU 83 -16.900 -2.018 3.364 511 HB3 GLU 83 2HB GLU 83 -19.221 -2.301 4.032 512 HG3 GLU 83 2HG GLU 83 -18.107 -4.060 6.266 513 H THR 84 H THR 84 -16.108 -5.203 4.376 514 HA THR 84 HA THR 84 -14.321 -4.447 6.559 515 HB THR 84 HB THR 84 -15.136 -6.993 5.156 516 HG1 THR 84 1HG THR 84 -16.390 -7.174 6.818 517 HG21 THR 84 3HG2 THR 84 -13.161 -6.845 7.466 518 HG22 THR 84 1HG2 THR 84 -12.770 -7.344 5.788 519 HG23 THR 84 2HG2 THR 84 -13.875 -8.316 6.771 520 H ILE 85 H ILE 85 -14.105 -5.426 3.103 521 HA ILE 85 HA ILE 85 -11.254 -5.404 2.885 522 HB ILE 85 HB ILE 85 -13.495 -4.940 0.886 523 HG13 ILE 85 2HG1 ILE 85 -13.106 -7.267 2.010 524 HG21 ILE 85 1HG2 ILE 85 -11.544 -3.807 -0.026 525 HG22 ILE 85 2HG2 ILE 85 -10.536 -5.243 0.273 526 HG23 ILE 85 3HG2 ILE 85 -11.842 -5.284 -0.924 527 HD11 ILE 85 3HD1 ILE 85 -14.301 -7.046 -0.170 528 HD12 ILE 85 1HD1 ILE 85 -12.746 -7.285 -1.004 529 HD13 ILE 85 2HD1 ILE 85 -13.400 -8.565 0.026 530 H ARG 86 H ARG 86 -13.745 -2.876 2.126 531 HA ARG 86 HA ARG 86 -11.817 -0.967 1.483 532 HB3 ARG 86 2HB ARG 86 -14.234 -0.853 0.915 533 HG3 ARG 86 2HG ARG 86 -14.770 -0.598 3.684 534 HD3 ARG 86 2HD ARG 86 -15.555 1.871 2.131 535 HE ARG 86 HE ARG 86 -16.128 0.884 4.863 536 HH11 ARG 86 1HH1 ARG 86 -16.384 3.687 2.643 537 HH12 ARG 86 2HH1 ARG 86 -17.111 4.684 3.824 538 HH21 ARG 86 1HH2 ARG 86 -17.519 2.068 6.207 539 HH22 ARG 86 2HH2 ARG 86 -17.980 3.676 5.774 540 H ALA 87 H ALA 87 -13.306 -1.508 4.636 541 HA ALA 87 HA ALA 87 -12.028 0.557 6.026 542 HB1 ALA 87 1HB ALA 87 -13.871 -0.714 6.991 543 HB2 ALA 87 2HB ALA 87 -12.885 -2.191 7.041 544 HB3 ALA 87 3HB ALA 87 -12.473 -0.800 8.061 545 H LYS 88 H LYS 88 -10.831 -2.821 5.401 546 HA LYS 88 HA LYS 88 -8.585 -2.454 7.105 547 HB3 LYS 88 2HB LYS 88 -8.308 -4.307 4.748 548 HG3 LYS 88 2HG LYS 88 -6.725 -4.080 6.828 549 HD3 LYS 88 2HD LYS 88 -8.970 -5.802 7.971 550 HE3 LYS 88 2HE LYS 88 -6.716 -6.662 8.561 551 HZ1 LYS 88 3HZ LYS 88 -6.409 -4.016 9.855 552 HZ2 LYS 88 1HZ LYS 88 -5.458 -4.618 8.655 553 HZ3 LYS 88 2HZ LYS 88 -5.451 -5.318 10.146 554 H MET 89 H MET 89 -8.998 -1.748 3.618 555 HA MET 89 HA MET 89 -6.132 -1.405 3.372 556 HB3 MET 89 2HB MET 89 -7.542 -2.089 1.498 557 HG3 MET 89 2HG MET 89 -8.120 0.861 1.168 558 HE1 MET 89 3HE MET 89 -8.359 -2.813 -0.432 559 HE2 MET 89 1HE MET 89 -9.992 -2.128 -0.586 560 HE3 MET 89 2HE MET 89 -8.995 -2.402 -2.030 561 H VAL 90 H VAL 90 -8.746 0.845 4.045 562 HA VAL 90 HA VAL 90 -7.347 3.289 4.101 563 HB VAL 90 HB VAL 90 -9.386 2.170 6.064 564 HG11 VAL 90 1HG1 VAL 90 -8.239 3.977 7.227 565 HG12 VAL 90 2HG1 VAL 90 -8.432 5.042 5.815 566 HG13 VAL 90 3HG1 VAL 90 -9.850 4.503 6.736 567 HG21 VAL 90 3HG2 VAL 90 -11.038 3.443 4.880 568 HG22 VAL 90 1HG2 VAL 90 -9.809 4.238 3.886 569 HG23 VAL 90 2HG2 VAL 90 -10.153 2.515 3.664 570 H GLU 91 H GLU 91 -7.347 0.635 6.512 571 HA GLU 91 HA GLU 91 -6.321 1.881 8.617 572 HB3 GLU 91 2HB GLU 91 -5.645 -0.990 7.902 573 HG3 GLU 91 2HG GLU 91 -5.671 0.599 10.415 574 H LEU 92 H LEU 92 -4.175 0.393 6.093 575 HA LEU 92 HA LEU 92 -1.806 0.900 7.597 576 HB3 LEU 92 2HB LEU 92 -0.649 0.112 5.608 577 HG LEU 92 HG LEU 92 -1.293 -2.024 5.448 578 HD11 LEU 92 1HD1 LEU 92 -0.897 -1.480 7.821 579 HD12 LEU 92 2HD1 LEU 92 -1.930 -2.894 7.588 580 HD13 LEU 92 3HD1 LEU 92 -2.648 -1.342 8.070 581 HD21 LEU 92 3HD2 LEU 92 -3.350 -3.019 5.323 582 HD22 LEU 92 1HD2 LEU 92 -3.561 -1.497 4.460 583 HD23 LEU 92 2HD2 LEU 92 -4.184 -1.662 6.115 584 H ARG 93 H ARG 93 -3.589 3.317 6.511 585 HA ARG 93 HA ARG 93 -2.170 4.863 4.711 586 HB3 ARG 93 2HB ARG 93 -3.638 5.858 7.189 587 HG3 ARG 93 2HG ARG 93 -2.489 7.667 5.722 588 HD3 ARG 93 2HD ARG 93 -4.439 6.430 3.796 589 HE ARG 93 HE ARG 93 -5.713 8.251 3.739 590 HH11 ARG 93 1HH1 ARG 93 -2.380 9.332 3.929 591 HH12 ARG 93 2HH1 ARG 93 -2.693 10.980 3.608 592 HH21 ARG 93 1HH2 ARG 93 -6.211 10.541 3.368 593 HH22 ARG 93 2HH2 ARG 93 -4.996 11.727 3.586 594 H ALA 94 H ALA 94 -1.719 4.932 8.292 595 HA ALA 94 HA ALA 94 0.554 6.686 8.283 596 HB1 ALA 94 1HB ALA 94 -0.720 6.322 10.343 597 HB2 ALA 94 2HB ALA 94 -0.344 4.581 10.311 598 HB3 ALA 94 3HB ALA 94 0.944 5.767 10.576 599 H THR 95 H THR 95 0.295 3.083 8.509 600 HA THR 95 HA THR 95 2.841 2.361 8.802 601 HB THR 95 HB THR 95 0.982 0.915 6.902 602 HG1 THR 95 1HG THR 95 0.752 1.353 9.678 603 HG21 THR 95 3HG2 THR 95 1.818 -1.098 8.071 604 HG22 THR 95 1HG2 THR 95 2.900 -0.078 9.035 605 HG23 THR 95 2HG2 THR 95 3.130 -0.211 7.280 606 H ALA 96 H ALA 96 1.255 3.071 5.690 607 HA ALA 96 HA ALA 96 3.290 2.336 3.950 608 HB1 ALA 96 1HB ALA 96 2.079 3.756 2.352 609 HB2 ALA 96 2HB ALA 96 0.923 2.931 3.406 610 HB3 ALA 96 3HB ALA 96 1.304 4.645 3.670 611 H ARG 97 H ARG 97 3.000 5.436 5.740 612 HA ARG 97 HA ARG 97 5.505 6.363 4.445 613 HB3 ARG 97 2HB ARG 97 3.971 8.128 4.658 614 HG3 ARG 97 2HG ARG 97 3.734 7.536 7.635 615 HD3 ARG 97 2HD ARG 97 2.167 9.641 7.330 616 HE ARG 97 HE ARG 97 5.015 10.430 7.449 617 HH11 ARG 97 1HH1 ARG 97 2.096 9.616 9.251 618 HH12 ARG 97 2HH1 ARG 97 2.855 9.532 10.788 619 HH21 ARG 97 1HH2 ARG 97 6.010 10.667 9.590 620 HH22 ARG 97 2HH2 ARG 97 5.155 9.980 10.935 621 H GLU 98 H GLU 98 4.416 5.084 7.674 622 HA GLU 98 HA GLU 98 6.703 5.627 9.084 623 HB3 GLU 98 2HB GLU 98 6.015 3.307 10.107 624 HG3 GLU 98 2HG GLU 98 3.925 5.472 10.391 625 H GLN 99 H GLN 99 6.070 2.884 6.827 626 HA GLN 99 HA GLN 99 8.377 1.369 7.343 627 HB3 GLN 99 2HB GLN 99 8.200 0.567 5.064 628 HG3 GLN 99 2HG GLN 99 5.380 0.654 6.001 629 HE21 GLN 99 1HE2 GLN 99 4.364 -1.167 5.322 630 HE22 GLN 99 2HE2 GLN 99 5.260 -2.649 5.032 631 H ILE 100 H ILE 100 8.026 4.065 4.995 632 HA ILE 100 HA ILE 100 10.697 3.805 3.939 633 HB ILE 100 HB ILE 100 8.754 6.128 3.953 634 HG13 ILE 100 2HG1 ILE 100 8.065 5.369 1.682 635 HG21 ILE 100 1HG2 ILE 100 9.906 6.774 1.775 636 HG22 ILE 100 2HG2 ILE 100 10.889 6.958 3.231 637 HG23 ILE 100 3HG2 ILE 100 11.147 5.548 2.186 638 HD11 ILE 100 3HD1 ILE 100 10.002 3.853 1.153 639 HD12 ILE 100 1HD1 ILE 100 9.374 2.714 2.368 640 HD13 ILE 100 2HD1 ILE 100 8.419 3.110 0.927 641 H ILE 101 H ILE 101 9.178 5.922 6.387 642 HA ILE 101 HA ILE 101 11.561 7.450 6.941 643 HB ILE 101 HB ILE 101 9.104 6.923 8.657 644 HG13 ILE 101 2HG1 ILE 101 8.749 8.041 6.277 645 HG21 ILE 101 1HG2 ILE 101 10.951 7.908 9.967 646 HG22 ILE 101 2HG2 ILE 101 11.166 9.180 8.758 647 HG23 ILE 101 3HG2 ILE 101 9.689 9.113 9.739 648 HD11 ILE 101 3HD1 ILE 101 6.973 7.965 7.959 649 HD12 ILE 101 1HD1 ILE 101 7.684 9.338 8.806 650 HD13 ILE 101 2HD1 ILE 101 7.043 9.553 7.162 651 H SER 102 H SER 102 10.522 4.241 7.738 652 HA SER 102 HA SER 102 12.377 3.953 10.019 653 HB3 SER 102 2HB SER 102 10.472 1.987 8.677 654 HG SER 102 HG SER 102 12.202 1.081 9.899 655 H GLU 103 H GLU 103 12.741 3.893 6.623 656 HA GLU 103 HA GLU 103 14.844 1.780 6.688 657 HB3 GLU 103 2HB GLU 103 14.159 1.500 4.231 658 HG3 GLU 103 2HG GLU 103 12.208 0.614 6.385 659 H ILE 104 H ILE 104 15.193 4.503 7.361 660 HA ILE 104 HA ILE 104 16.240 6.076 5.246 661 HB ILE 104 HB ILE 104 17.372 5.950 8.067 662 HG13 ILE 104 2HG1 ILE 104 15.859 7.794 8.721 663 HG21 ILE 104 1HG2 ILE 104 17.367 8.071 5.919 664 HG22 ILE 104 2HG2 ILE 104 17.830 8.415 7.609 665 HG23 ILE 104 3HG2 ILE 104 18.757 7.251 6.661 666 HD11 ILE 104 3HD1 ILE 104 15.128 8.575 6.429 667 HD12 ILE 104 1HD1 ILE 104 14.215 7.049 6.286 668 HD13 ILE 104 2HD1 ILE 104 13.791 8.229 7.537 Start of MODEL 3 1 H1 MET 1 H MET 1 0.082 11.064 -13.283 2 HA MET 1 HA MET 1 0.597 10.180 -10.505 3 HB3 MET 1 2HB MET 1 1.087 7.929 -11.616 4 HG3 MET 1 2HG MET 1 -1.751 8.981 -11.653 5 HE1 MET 1 3HE MET 1 -2.929 6.618 -9.738 6 HE2 MET 1 1HE MET 1 -3.698 7.559 -11.030 7 HE3 MET 1 2HE MET 1 -3.761 5.786 -11.073 8 H THR 2 H THR 2 2.317 11.832 -10.467 9 HA THR 2 HA THR 2 4.458 11.663 -12.374 10 HB THR 2 HB THR 2 3.492 13.592 -10.891 11 HG1 THR 2 1HG THR 2 6.310 13.343 -11.141 12 HG21 THR 2 3HG2 THR 2 4.627 14.057 -8.801 13 HG22 THR 2 1HG2 THR 2 5.522 12.533 -8.897 14 HG23 THR 2 2HG2 THR 2 3.769 12.512 -8.687 15 H THR 3 H THR 3 6.831 10.969 -11.606 16 HA THR 3 HA THR 3 6.960 9.143 -9.391 17 HB THR 3 HB THR 3 5.686 7.805 -11.084 18 HG1 THR 3 1HG THR 3 7.189 6.025 -11.040 19 HG21 THR 3 3HG2 THR 3 6.669 7.009 -13.110 20 HG22 THR 3 1HG2 THR 3 8.224 7.792 -12.754 21 HG23 THR 3 2HG2 THR 3 6.789 8.765 -13.146 22 H PHE 4 H PHE 4 9.127 8.489 -8.960 23 HA PHE 4 HA PHE 4 11.226 9.061 -10.823 24 HB3 PHE 4 2HB PHE 4 12.362 10.206 -8.542 25 HD1 PHE 4 2HD PHE 4 13.554 10.230 -10.937 26 HD2 PHE 4 1HD PHE 4 10.403 12.886 -9.704 27 HE1 PHE 4 2HE PHE 4 14.240 11.829 -12.672 28 HE2 PHE 4 1HE PHE 4 11.050 14.471 -11.473 29 HZ PHE 4 HZ PHE 4 12.979 13.977 -12.963 30 H ASP 5 H ASP 5 13.335 8.511 -9.490 31 HA ASP 5 HA ASP 5 13.286 5.838 -8.349 32 HB3 ASP 5 2HB ASP 5 15.222 6.706 -9.642 33 H ASP 6 H ASP 6 14.467 5.701 -6.137 34 HA ASP 6 HA ASP 6 13.555 7.809 -4.282 35 HB3 ASP 6 2HB ASP 6 12.167 5.841 -3.999 36 H ARG 7 H ARG 7 14.861 7.907 -2.289 37 HA ARG 7 HA ARG 7 17.724 7.401 -2.832 38 HB3 ARG 7 2HB ARG 7 18.249 9.670 -2.488 39 HG3 ARG 7 2HG ARG 7 15.737 9.876 -4.190 40 HD3 ARG 7 2HD ARG 7 17.319 11.882 -3.548 41 HE ARG 7 HE ARG 7 19.398 11.627 -4.346 42 HH11 ARG 7 1HH1 ARG 7 17.115 10.707 -6.966 43 HH12 ARG 7 2HH1 ARG 7 18.333 10.851 -8.190 44 HH21 ARG 7 1HH2 ARG 7 21.046 11.213 -6.014 45 HH22 ARG 7 2HH2 ARG 7 20.494 11.070 -7.661 46 H GLU 8 H GLU 8 18.316 6.151 -1.151 47 HA GLU 8 HA GLU 8 17.110 6.152 1.405 48 HB3 GLU 8 2HB GLU 8 19.373 4.942 1.961 49 HG3 GLU 8 2HG GLU 8 17.479 4.070 -0.226 50 H ARG 9 H ARG 9 19.235 8.583 0.209 51 HA ARG 9 HA ARG 9 20.348 9.049 2.933 52 HB3 ARG 9 2HB ARG 9 22.070 10.408 1.872 53 HG3 ARG 9 2HG ARG 9 22.137 7.723 1.991 54 HD3 ARG 9 2HD ARG 9 21.334 7.319 -0.329 55 HE ARG 9 HE ARG 9 22.004 9.003 -1.747 56 HH11 ARG 9 1HH1 ARG 9 25.000 7.372 -0.706 57 HH12 ARG 9 2HH1 ARG 9 25.979 8.778 -1.066 58 HH21 ARG 9 1HH2 ARG 9 23.361 10.671 -2.429 59 HH22 ARG 9 2HH2 ARG 9 25.079 10.550 -2.187 60 H ALA 10 H ALA 10 20.753 11.458 3.315 61 HA ALA 10 HA ALA 10 19.775 13.337 4.077 62 HB1 ALA 10 1HB ALA 10 20.217 14.065 1.760 63 HB2 ALA 10 2HB ALA 10 18.567 13.573 1.308 64 HB3 ALA 10 3HB ALA 10 18.805 14.866 2.499 65 H HIS 11 H HIS 11 18.648 11.812 5.446 66 HA HIS 11 HA HIS 11 15.680 11.932 5.221 67 HB3 HIS 11 2HB HIS 11 16.705 9.761 4.799 68 HD1 HIS 11 1HD HIS 11 17.064 7.396 6.787 69 HD2 HIS 11 2HD HIS 11 19.104 11.057 7.128 70 HE1 HIS 11 1HE HIS 11 19.003 6.966 8.336 71 H GLU 12 H GLU 12 15.251 11.027 7.901 72 HA GLU 12 HA GLU 12 15.062 11.599 9.967 73 HB3 GLU 12 2HB GLU 12 17.729 12.740 10.401 74 HG3 GLU 12 2HG GLU 12 17.888 10.700 11.856 75 H ALA 13 H ALA 13 13.630 13.021 10.057 76 HA ALA 13 HA ALA 13 12.360 14.899 10.006 77 HB1 ALA 13 1HB ALA 13 13.870 15.585 11.890 78 HB2 ALA 13 2HB ALA 13 14.867 16.467 10.714 79 HB3 ALA 13 3HB ALA 13 13.183 16.941 10.967 80 H LYS 14 H LYS 14 14.648 14.377 7.670 81 HA LYS 14 HA LYS 14 14.639 16.836 6.225 82 HB3 LYS 14 2HB LYS 14 15.132 14.819 4.323 83 HG3 LYS 14 2HG LYS 14 17.525 14.966 5.108 84 HD3 LYS 14 2HD LYS 14 16.212 17.725 5.034 85 HE3 LYS 14 2HE LYS 14 18.283 18.386 3.916 86 HZ1 LYS 14 3HZ LYS 14 18.239 18.453 6.381 87 HZ2 LYS 14 1HZ LYS 14 19.743 18.294 5.746 88 HZ3 LYS 14 2HZ LYS 14 19.021 16.994 6.408 89 H PHE 15 H PHE 15 12.141 14.453 6.468 90 HA PHE 15 HA PHE 15 10.616 14.776 4.196 91 HB3 PHE 15 2HB PHE 15 8.778 14.966 6.280 92 HD1 PHE 15 1HD PHE 15 11.376 12.565 4.816 93 HD2 PHE 15 2HD PHE 15 7.325 13.110 6.309 94 HE1 PHE 15 1HE PHE 15 10.737 10.364 3.960 95 HE2 PHE 15 2HE PHE 15 6.732 10.857 5.481 96 HZ PHE 15 HZ PHE 15 8.437 9.494 4.271 97 H ALA 16 H ALA 16 11.199 17.296 6.601 98 HA ALA 16 HA ALA 16 8.914 18.939 5.914 99 HB1 ALA 16 1HB ALA 16 10.140 20.607 7.250 100 HB2 ALA 16 2HB ALA 16 10.153 19.013 8.058 101 HB3 ALA 16 3HB ALA 16 11.601 19.602 7.198 102 H HIS 17 H HIS 17 11.805 18.186 4.205 103 HA HIS 17 HA HIS 17 11.889 20.766 2.769 104 HB3 HIS 17 2HB HIS 17 14.212 19.010 3.700 105 HD1 HIS 17 1HD HIS 17 15.252 19.740 1.230 106 HD2 HIS 17 2HD HIS 17 14.181 22.786 3.935 107 HE1 HIS 17 1HE HIS 17 16.092 21.955 0.205 108 H ASP 18 H ASP 18 12.266 20.544 0.574 109 HA ASP 18 HA ASP 18 11.953 19.667 -1.482 110 HB3 ASP 18 2HB ASP 18 12.558 17.317 -2.048 111 H ALA 19 H ALA 19 10.559 17.604 -2.488 112 HA ALA 19 HA ALA 19 8.444 16.866 -0.498 113 HB1 ALA 19 1HB ALA 19 8.031 17.371 -3.456 114 HB2 ALA 19 2HB ALA 19 6.829 16.761 -2.296 115 HB3 ALA 19 3HB ALA 19 7.465 18.404 -2.106 116 H GLU 20 H GLU 20 10.722 15.849 -2.944 117 HA GLU 20 HA GLU 20 9.717 13.484 -3.761 118 HB3 GLU 20 2HB GLU 20 11.796 12.962 -4.580 119 HG3 GLU 20 2HG GLU 20 13.402 14.735 -4.857 120 H LEU 21 H LEU 21 11.482 14.026 -0.730 121 HA LEU 21 HA LEU 21 11.671 11.205 -0.017 122 HB3 LEU 21 2HB LEU 21 12.441 12.115 2.233 123 HG LEU 21 HG LEU 21 13.651 13.060 -0.373 124 HD11 LEU 21 1HD1 LEU 21 15.472 14.180 0.847 125 HD12 LEU 21 2HD1 LEU 21 14.547 14.006 2.349 126 HD13 LEU 21 3HD1 LEU 21 13.916 15.017 1.029 127 HD21 LEU 21 3HD2 LEU 21 14.069 10.752 0.486 128 HD22 LEU 21 1HD2 LEU 21 14.773 11.451 1.957 129 HD23 LEU 21 2HD2 LEU 21 15.547 11.723 0.394 130 H ASN 22 H ASN 22 9.587 13.916 0.990 131 HA ASN 22 HA ASN 22 7.937 12.492 2.829 132 HB3 ASN 22 2HB ASN 22 6.857 14.785 1.171 133 HD21 ASN 22 1HD2 ASN 22 7.445 16.064 4.017 134 HD22 ASN 22 2HD2 ASN 22 6.105 15.473 5.015 135 H PHE 23 H PHE 23 7.504 13.068 -0.679 136 HA PHE 23 HA PHE 23 4.934 11.989 -0.958 137 HB3 PHE 23 2HB PHE 23 7.188 11.792 -2.994 138 HD1 PHE 23 1HD PHE 23 5.788 9.764 -3.896 139 HD2 PHE 23 2HD PHE 23 4.274 13.809 -3.705 140 HE1 PHE 23 1HE PHE 23 4.035 9.203 -5.560 141 HE2 PHE 23 2HE PHE 23 2.587 13.245 -5.419 142 HZ PHE 23 HZ PHE 23 2.460 10.951 -6.353 143 H LYS 24 H LYS 24 8.085 10.308 -0.871 144 HA LYS 24 HA LYS 24 7.289 7.769 -1.763 145 HB3 LYS 24 2HB LYS 24 9.216 7.537 0.416 146 HG3 LYS 24 2HG LYS 24 10.707 7.832 -1.923 147 HD3 LYS 24 2HD LYS 24 10.842 5.983 -0.223 148 HE3 LYS 24 2HE LYS 24 8.298 5.352 -0.752 149 HZ1 LYS 24 3HZ LYS 24 8.175 3.431 -2.083 150 HZ2 LYS 24 1HZ LYS 24 9.795 3.366 -2.368 151 HZ3 LYS 24 2HZ LYS 24 8.869 4.538 -3.064 152 H ALA 25 H ALA 25 6.596 9.333 1.326 153 HA ALA 25 HA ALA 25 5.776 6.894 2.657 154 HB1 ALA 25 1HB ALA 25 4.652 9.203 3.956 155 HB2 ALA 25 2HB ALA 25 6.057 8.257 4.471 156 HB3 ALA 25 3HB ALA 25 6.262 9.668 3.422 157 H GLU 26 H GLU 26 3.913 9.747 1.455 158 HA GLU 26 HA GLU 26 1.389 8.534 1.740 159 HB3 GLU 26 2HB GLU 26 2.377 10.388 -0.467 160 HG3 GLU 26 2HG GLU 26 0.122 9.493 -0.993 161 H ALA 27 H ALA 27 3.894 7.974 -0.629 162 HA ALA 27 HA ALA 27 2.247 6.400 -2.462 163 HB1 ALA 27 1HB ALA 27 4.195 7.743 -3.229 164 HB2 ALA 27 2HB ALA 27 5.279 6.670 -2.320 165 HB3 ALA 27 3HB ALA 27 4.331 6.040 -3.678 166 H ARG 28 H ARG 28 3.026 5.636 0.625 167 HA ARG 28 HA ARG 28 3.601 2.769 0.092 168 HB3 ARG 28 2HB ARG 28 3.237 2.616 2.622 169 HG3 ARG 28 2HG ARG 28 5.422 4.414 2.846 170 HD3 ARG 28 2HD ARG 28 5.129 1.431 2.403 171 HE ARG 28 HE ARG 28 7.614 2.844 2.087 172 HH11 ARG 28 1HH1 ARG 28 6.395 0.150 4.073 173 HH12 ARG 28 2HH1 ARG 28 7.860 -0.758 3.900 174 HH21 ARG 28 1HH2 ARG 28 9.540 1.648 2.008 175 HH22 ARG 28 2HH2 ARG 28 9.650 0.070 2.663 176 H ARG 29 H ARG 29 0.744 4.960 0.416 177 HA ARG 29 HA ARG 29 -0.442 3.389 2.353 178 HB3 ARG 29 2HB ARG 29 -0.817 5.806 1.908 179 HG3 ARG 29 2HG ARG 29 -2.741 4.787 -0.196 180 HD3 ARG 29 2HD ARG 29 -2.476 7.696 0.474 181 HE ARG 29 HE ARG 29 -4.896 5.977 -0.025 182 HH11 ARG 29 1HH1 ARG 29 -3.374 9.202 -0.381 183 HH12 ARG 29 2HH1 ARG 29 -4.586 9.744 -1.500 184 HH21 ARG 29 1HH2 ARG 29 -6.543 6.797 -1.480 185 HH22 ARG 29 2HH2 ARG 29 -6.422 8.425 -1.981 186 H ASN 30 H ASN 30 -0.625 2.844 -1.043 187 HA ASN 30 HA ASN 30 -2.581 0.632 -0.477 188 HB3 ASN 30 2HB ASN 30 -2.698 0.673 -3.128 189 HD21 ASN 30 1HD2 ASN 30 -4.882 0.137 -2.969 190 HD22 ASN 30 2HD2 ASN 30 -6.008 1.039 -2.044 191 H ARG 31 H ARG 31 0.715 1.313 -1.198 192 HA ARG 31 HA ARG 31 1.458 -1.147 -2.465 193 HB3 ARG 31 2HB ARG 31 3.006 0.779 -0.670 194 HG3 ARG 31 2HG ARG 31 4.953 -0.059 -2.114 195 HD3 ARG 31 2HD ARG 31 4.602 -2.363 -0.356 196 HE ARG 31 HE ARG 31 6.270 -0.403 0.787 197 HH11 ARG 31 1HH1 ARG 31 6.354 -2.757 -1.775 198 HH12 ARG 31 2HH1 ARG 31 7.853 -2.267 -2.451 199 HH21 ARG 31 1HH2 ARG 31 8.503 -0.082 0.266 200 HH22 ARG 31 2HH2 ARG 31 9.107 -0.709 -1.224 201 H LEU 32 H LEU 32 1.447 -0.153 0.988 202 HA LEU 32 HA LEU 32 2.421 -2.684 1.859 203 HB3 LEU 32 2HB LEU 32 2.605 -0.474 3.083 204 HG LEU 32 HG LEU 32 0.018 -1.403 4.409 205 HD11 LEU 32 1HD1 LEU 32 1.703 -0.533 5.943 206 HD12 LEU 32 2HD1 LEU 32 0.388 0.639 5.810 207 HD13 LEU 32 3HD1 LEU 32 1.921 0.928 4.950 208 HD21 LEU 32 3HD2 LEU 32 0.425 1.262 3.011 209 HD22 LEU 32 1HD2 LEU 32 -1.043 0.678 3.773 210 HD23 LEU 32 2HD2 LEU 32 -0.503 -0.081 2.293 211 H LEU 33 H LEU 33 -0.642 -1.977 0.766 212 HA LEU 33 HA LEU 33 -2.396 -3.620 2.218 213 HB3 LEU 33 2HB LEU 33 -2.407 -3.237 -0.794 214 HG LEU 33 HG LEU 33 -4.289 -4.360 0.584 215 HD11 LEU 33 1HD1 LEU 33 -4.374 -2.613 2.384 216 HD12 LEU 33 2HD1 LEU 33 -5.934 -2.803 1.586 217 HD13 LEU 33 3HD1 LEU 33 -4.884 -1.419 1.188 218 HD21 LEU 33 3HD2 LEU 33 -4.552 -3.634 -1.776 219 HD22 LEU 33 1HD2 LEU 33 -4.969 -1.985 -1.218 220 HD23 LEU 33 2HD2 LEU 33 -6.035 -3.355 -0.850 221 H GLY 34 H GLY 34 0.105 -4.406 -0.280 222 HA2 GLY 34 1HA GLY 34 -0.745 -7.074 -0.783 223 HA3 GLY 34 2HA GLY 34 0.899 -6.443 -0.968 224 H GLU 35 H GLU 35 1.085 -5.699 1.994 225 HA GLU 35 HA GLU 35 2.132 -8.254 2.849 226 HB3 GLU 35 2HB GLU 35 2.827 -7.185 4.841 227 HG3 GLU 35 2HG GLU 35 3.002 -4.701 3.171 228 H TRP 36 H TRP 36 -0.961 -6.658 3.217 229 HA TRP 36 HA TRP 36 -1.976 -8.247 5.459 230 HB3 TRP 36 2HB TRP 36 -3.112 -6.324 3.424 231 HD1 TRP 36 HD TRP 36 -4.656 -8.000 6.534 232 HE1 TRP 36 1HE TRP 36 -7.175 -8.312 6.122 233 HE3 TRP 36 3HE TRP 36 -4.948 -6.321 1.687 234 HZ2 TRP 36 2HZ TRP 36 -9.081 -7.759 4.050 235 HZ3 TRP 36 3HZ TRP 36 -7.143 -6.213 0.530 236 HH2 TRP 36 HH TRP 36 -9.231 -6.900 1.695 237 H ALA 37 H ALA 37 -2.789 -8.176 1.958 238 HA ALA 37 HA ALA 37 -4.310 -10.525 2.002 239 HB1 ALA 37 1HB ALA 37 -4.317 -8.887 0.145 240 HB2 ALA 37 2HB ALA 37 -2.659 -9.367 -0.301 241 HB3 ALA 37 3HB ALA 37 -4.000 -10.526 -0.464 242 H ALA 38 H ALA 38 -0.770 -10.268 1.334 243 HA ALA 38 HA ALA 38 -0.130 -12.748 0.525 244 HB1 ALA 38 1HB ALA 38 1.521 -10.965 0.893 245 HB2 ALA 38 2HB ALA 38 1.357 -11.150 2.650 246 HB3 ALA 38 3HB ALA 38 2.012 -12.479 1.678 247 H GLY 39 H GLY 39 -0.194 -12.032 4.095 248 HA2 GLY 39 1HA GLY 39 0.277 -14.709 4.846 249 HA3 GLY 39 2HA GLY 39 -0.423 -13.467 5.887 250 H LEU 40 H LEU 40 -2.757 -13.083 4.067 251 HA LEU 40 HA LEU 40 -4.536 -15.108 5.141 252 HB3 LEU 40 2HB LEU 40 -6.246 -13.952 3.767 253 HG LEU 40 HG LEU 40 -4.418 -11.804 4.904 254 HD11 LEU 40 1HD1 LEU 40 -6.262 -10.929 3.558 255 HD12 LEU 40 2HD1 LEU 40 -6.538 -10.594 5.266 256 HD13 LEU 40 3HD1 LEU 40 -7.435 -11.904 4.486 257 HD21 LEU 40 3HD2 LEU 40 -5.676 -12.000 7.002 258 HD22 LEU 40 1HD2 LEU 40 -4.749 -13.454 6.646 259 HD23 LEU 40 2HD2 LEU 40 -6.513 -13.448 6.369 260 H LEU 41 H LEU 41 -3.112 -14.438 1.987 261 HA LEU 41 HA LEU 41 -4.014 -16.846 0.649 262 HB3 LEU 41 2HB LEU 41 -1.978 -16.159 -0.859 263 HG LEU 41 HG LEU 41 -4.458 -15.798 -1.143 264 HD11 LEU 41 1HD1 LEU 41 -3.800 -12.896 -0.624 265 HD12 LEU 41 2HD1 LEU 41 -4.805 -13.924 0.419 266 HD13 LEU 41 3HD1 LEU 41 -5.331 -13.546 -1.232 267 HD21 LEU 41 3HD2 LEU 41 -4.008 -14.232 -3.093 268 HD22 LEU 41 1HD2 LEU 41 -2.849 -15.565 -2.980 269 HD23 LEU 41 2HD2 LEU 41 -2.403 -13.924 -2.400 270 H GLY 42 H GLY 42 -2.017 -16.493 3.140 271 HA2 GLY 42 1HA GLY 42 -0.688 -18.026 4.300 272 HA3 GLY 42 2HA GLY 42 -0.922 -19.191 2.984 273 H LYS 43 H LYS 43 0.283 -16.229 1.724 274 HA LYS 43 HA LYS 43 2.996 -17.309 1.353 275 HB3 LYS 43 2HB LYS 43 3.346 -15.236 0.064 276 HG3 LYS 43 2HG LYS 43 0.642 -16.439 -0.715 277 HD3 LYS 43 2HD LYS 43 2.882 -15.194 -2.417 278 HE3 LYS 43 2HE LYS 43 0.873 -15.104 -4.058 279 HZ1 LYS 43 3HZ LYS 43 2.016 -17.767 -3.479 280 HZ2 LYS 43 1HZ LYS 43 2.665 -16.636 -4.482 281 HZ3 LYS 43 2HZ LYS 43 1.223 -17.344 -4.832 282 H THR 44 H THR 44 4.608 -16.764 2.786 283 HA THR 44 HA THR 44 4.286 -14.380 4.529 284 HB THR 44 HB THR 44 5.364 -15.987 6.325 285 HG1 THR 44 1HG THR 44 5.386 -17.786 4.776 286 HG21 THR 44 3HG2 THR 44 3.142 -14.891 6.545 287 HG22 THR 44 1HG2 THR 44 3.141 -16.544 7.201 288 HG23 THR 44 2HG2 THR 44 2.396 -16.221 5.624 289 H GLY 45 H GLY 45 6.450 -13.813 5.600 290 HA2 GLY 45 1HA GLY 45 8.575 -13.169 5.357 291 HA3 GLY 45 2HA GLY 45 8.872 -14.827 4.817 292 H ASP 46 H ASP 46 10.120 -14.732 3.070 293 HA ASP 46 HA ASP 46 10.362 -12.580 1.252 294 HB3 ASP 46 2HB ASP 46 11.021 -15.498 0.693 295 H ASP 47 H ASP 47 8.304 -15.497 1.157 296 HA ASP 47 HA ASP 47 7.378 -15.234 -1.526 297 HB3 ASP 47 2HB ASP 47 5.414 -16.315 0.344 298 H ALA 48 H ALA 48 6.413 -13.719 1.488 299 HA ALA 48 HA ALA 48 3.907 -12.556 0.444 300 HB1 ALA 48 1HB ALA 48 3.966 -11.257 2.592 301 HB2 ALA 48 2HB ALA 48 4.080 -12.996 2.857 302 HB3 ALA 48 3HB ALA 48 5.522 -11.977 2.989 303 H ARG 49 H ARG 49 7.260 -11.549 1.122 304 HA ARG 49 HA ARG 49 6.840 -8.782 0.569 305 HB3 ARG 49 2HB ARG 49 8.655 -10.005 1.832 306 HG3 ARG 49 2HG ARG 49 9.986 -9.335 -0.813 307 HD3 ARG 49 2HD ARG 49 11.061 -8.507 1.190 308 HE ARG 49 HE ARG 49 10.443 -10.516 2.669 309 HH11 ARG 49 1HH1 ARG 49 13.650 -10.215 1.153 310 HH12 ARG 49 2HH1 ARG 49 14.405 -11.412 2.095 311 HH21 ARG 49 1HH2 ARG 49 11.557 -11.907 4.238 312 HH22 ARG 49 2HH2 ARG 49 13.198 -12.296 3.942 313 H ALA 50 H ALA 50 8.062 -11.410 -1.424 314 HA ALA 50 HA ALA 50 8.552 -9.940 -3.790 315 HB1 ALA 50 1HB ALA 50 7.778 -12.875 -3.552 316 HB2 ALA 50 2HB ALA 50 8.686 -12.081 -4.862 317 HB3 ALA 50 3HB ALA 50 9.401 -12.221 -3.251 318 H TYR 51 H TYR 51 5.576 -11.584 -2.647 319 HA TYR 51 HA TYR 51 3.985 -11.097 -4.990 320 HB3 TYR 51 2HB TYR 51 3.372 -11.551 -2.042 321 HD1 TYR 51 2HD TYR 51 1.730 -12.242 -5.384 322 HD2 TYR 51 1HD TYR 51 1.268 -10.867 -1.311 323 HE1 TYR 51 2HE TYR 51 -0.704 -12.165 -5.695 324 HE2 TYR 51 1HE TYR 51 -1.164 -10.821 -1.591 325 HH TYR 51 HH TYR 51 -2.757 -12.053 -4.549 326 H ALA 52 H ALA 52 4.503 -9.209 -1.984 327 HA ALA 52 HA ALA 52 2.522 -7.249 -2.611 328 HB1 ALA 52 1HB ALA 52 3.259 -7.726 -0.329 329 HB2 ALA 52 2HB ALA 52 4.891 -7.102 -0.707 330 HB3 ALA 52 3HB ALA 52 3.494 -6.005 -0.710 331 H LEU 53 H LEU 53 5.735 -7.531 -3.876 332 HA LEU 53 HA LEU 53 6.540 -4.860 -4.136 333 HB3 LEU 53 2HB LEU 53 7.904 -5.561 -6.041 334 HG LEU 53 HG LEU 53 7.789 -7.938 -4.185 335 HD11 LEU 53 1HD1 LEU 53 9.034 -8.322 -6.258 336 HD12 LEU 53 2HD1 LEU 53 10.134 -8.283 -4.870 337 HD13 LEU 53 3HD1 LEU 53 10.020 -6.875 -5.956 338 HD21 LEU 53 3HD2 LEU 53 8.143 -5.934 -2.814 339 HD22 LEU 53 1HD2 LEU 53 9.483 -5.439 -3.869 340 HD23 LEU 53 2HD2 LEU 53 9.591 -6.930 -2.886 341 H THR 54 H THR 54 3.936 -6.421 -5.824 342 HA THR 54 HA THR 54 3.702 -4.140 -7.712 343 HB THR 54 HB THR 54 4.956 -6.042 -8.620 344 HG1 THR 54 1HG THR 54 3.952 -4.788 -10.054 345 HG21 THR 54 3HG2 THR 54 3.866 -8.121 -9.249 346 HG22 THR 54 1HG2 THR 54 2.376 -7.622 -8.425 347 HG23 THR 54 2HG2 THR 54 3.872 -7.934 -7.502 348 H VAL 55 H VAL 55 2.300 -4.532 -5.188 349 HA VAL 55 HA VAL 55 -0.495 -4.864 -6.137 350 HB VAL 55 HB VAL 55 0.699 -5.254 -3.357 351 HG11 VAL 55 1HG1 VAL 55 -1.566 -4.309 -3.187 352 HG12 VAL 55 2HG1 VAL 55 -2.180 -5.515 -4.350 353 HG13 VAL 55 3HG1 VAL 55 -1.602 -6.021 -2.753 354 HG21 VAL 55 3HG2 VAL 55 0.012 -7.605 -3.631 355 HG22 VAL 55 1HG2 VAL 55 -0.540 -7.272 -5.286 356 HG23 VAL 55 2HG2 VAL 55 1.180 -7.152 -4.871 357 H VAL 56 H VAL 56 -0.851 -2.753 -6.823 358 HA VAL 56 HA VAL 56 -1.534 -1.000 -4.668 359 HB VAL 56 HB VAL 56 0.866 -0.343 -5.094 360 HG11 VAL 56 1HG1 VAL 56 1.484 0.893 -7.012 361 HG12 VAL 56 2HG1 VAL 56 0.775 -0.649 -7.570 362 HG13 VAL 56 3HG1 VAL 56 -0.170 0.845 -7.667 363 HG21 VAL 56 3HG2 VAL 56 -1.287 1.755 -5.492 364 HG22 VAL 56 1HG2 VAL 56 -0.507 1.224 -3.984 365 HG23 VAL 56 2HG2 VAL 56 0.420 2.109 -5.191 366 H THR 57 H THR 57 -3.479 -0.027 -5.258 367 HA THR 57 HA THR 57 -4.183 1.134 -7.634 368 HB THR 57 HB THR 57 -4.327 -1.116 -8.670 369 HG1 THR 57 1HG THR 57 -6.110 -0.651 -9.593 370 HG21 THR 57 3HG2 THR 57 -5.967 -2.777 -7.847 371 HG22 THR 57 1HG2 THR 57 -6.274 -1.776 -6.404 372 HG23 THR 57 2HG2 THR 57 -4.679 -2.515 -6.658 373 H SER 58 H SER 58 -6.403 2.038 -7.286 374 HA SER 58 HA SER 58 -8.042 1.035 -5.148 375 HB3 SER 58 2HB SER 58 -6.892 2.239 -3.543 376 HG SER 58 HG SER 58 -6.681 4.630 -4.963 377 H ASP 59 H ASP 59 -10.083 1.222 -6.012 378 HA ASP 59 HA ASP 59 -10.875 3.797 -6.972 379 HB3 ASP 59 2HB ASP 59 -12.395 2.212 -8.664 380 H PHE 60 H PHE 60 -13.382 3.844 -7.012 381 HA PHE 60 HA PHE 60 -14.815 1.869 -5.659 382 HB3 PHE 60 2HB PHE 60 -14.926 4.387 -4.011 383 HD1 PHE 60 2HD PHE 60 -13.766 0.909 -3.281 384 HD2 PHE 60 1HD PHE 60 -17.044 3.706 -2.964 385 HE1 PHE 60 2HE PHE 60 -15.101 -0.808 -2.084 386 HE2 PHE 60 1HE PHE 60 -18.345 2.010 -1.703 387 HZ PHE 60 HZ PHE 60 -17.390 -0.244 -1.271 388 H ASP 61 H ASP 61 -17.079 3.228 -5.049 389 HA ASP 61 HA ASP 61 -18.820 4.500 -5.679 390 HB3 ASP 61 2HB ASP 61 -17.281 5.857 -7.885 391 H GLU 62 H GLU 62 -19.544 5.084 -8.494 392 HA GLU 62 HA GLU 62 -20.483 4.141 -10.239 393 HB3 GLU 62 2HB GLU 62 -19.089 1.827 -10.952 394 HG3 GLU 62 2HG GLU 62 -17.943 4.566 -11.515 395 HA PRO 63 HA PRO 63 -23.297 0.938 -9.183 396 HB3 PRO 63 2HB PRO 63 -24.470 1.844 -10.992 397 HG3 PRO 63 2HG PRO 63 -23.441 2.168 -13.120 398 HD3 PRO 63 2HD PRO 63 -22.006 3.360 -11.743 399 H GLY 64 H GLY 64 -20.288 -0.066 -10.181 400 HA2 GLY 64 1HA GLY 64 -20.929 -2.841 -10.972 401 HA3 GLY 64 2HA GLY 64 -19.333 -2.083 -10.850 402 H ASP 65 H ASP 65 -19.787 -4.597 -9.857 403 HA ASP 65 HA ASP 65 -19.956 -4.479 -6.911 404 HB3 ASP 65 2HB ASP 65 -19.096 -6.877 -7.160 405 H GLU 66 H GLU 66 -17.529 -5.365 -9.355 406 HA GLU 66 HA GLU 66 -15.673 -5.729 -7.092 407 HB3 GLU 66 2HB GLU 66 -16.960 -7.640 -7.576 408 HG3 GLU 66 2HG GLU 66 -15.701 -7.906 -10.305 409 H ASP 67 H ASP 67 -15.440 -5.919 -10.686 410 HA ASP 67 HA ASP 67 -13.753 -5.441 -12.089 411 HB3 ASP 67 2HB ASP 67 -13.793 -2.619 -11.370 412 H VAL 68 H VAL 68 -12.707 -3.070 -9.721 413 HA VAL 68 HA VAL 68 -9.873 -3.505 -10.230 414 HB VAL 68 HB VAL 68 -10.499 -1.285 -9.894 415 HG11 VAL 68 1HG1 VAL 68 -12.653 -1.361 -8.819 416 HG12 VAL 68 2HG1 VAL 68 -11.943 -1.968 -7.313 417 HG13 VAL 68 3HG1 VAL 68 -11.584 -0.340 -7.866 418 HG21 VAL 68 3HG2 VAL 68 -9.139 -0.526 -8.065 419 HG22 VAL 68 1HG2 VAL 68 -9.296 -2.070 -7.208 420 HG23 VAL 68 2HG2 VAL 68 -8.401 -1.988 -8.744 421 H PHE 69 H PHE 69 -12.093 -4.009 -7.410 422 HA PHE 69 HA PHE 69 -10.118 -5.229 -5.732 423 HB3 PHE 69 2HB PHE 69 -11.745 -5.486 -4.194 424 HD1 PHE 69 1HD PHE 69 -10.970 -2.924 -4.247 425 HD2 PHE 69 2HD PHE 69 -14.695 -4.440 -5.780 426 HE1 PHE 69 1HE PHE 69 -11.908 -0.631 -4.251 427 HE2 PHE 69 2HE PHE 69 -15.627 -2.155 -5.822 428 HZ PHE 69 HZ PHE 69 -14.213 -0.235 -5.143 429 H ARG 70 H ARG 70 -12.066 -6.418 -8.360 430 HA ARG 70 HA ARG 70 -12.761 -8.930 -7.722 431 HB3 ARG 70 2HB ARG 70 -11.605 -7.957 -10.346 432 HG3 ARG 70 2HG ARG 70 -13.002 -10.608 -9.813 433 HD3 ARG 70 2HD ARG 70 -12.701 -10.977 -12.262 434 HE ARG 70 HE ARG 70 -14.877 -10.154 -11.549 435 HH11 ARG 70 1HH1 ARG 70 -12.847 -7.908 -13.513 436 HH12 ARG 70 2HH1 ARG 70 -14.201 -7.136 -14.213 437 HH21 ARG 70 1HH2 ARG 70 -16.654 -8.939 -12.353 438 HH22 ARG 70 2HH2 ARG 70 -16.333 -7.549 -13.336 439 H LYS 71 H LYS 71 -9.417 -8.138 -8.626 440 HA LYS 71 HA LYS 71 -8.556 -10.927 -8.464 441 HB3 LYS 71 2HB LYS 71 -6.336 -10.039 -8.988 442 HG3 LYS 71 2HG LYS 71 -8.112 -10.312 -10.820 443 HD3 LYS 71 2HD LYS 71 -9.408 -8.246 -10.724 444 HE3 LYS 71 2HE LYS 71 -6.655 -6.937 -10.998 445 HZ1 LYS 71 3HZ LYS 71 -8.046 -5.843 -12.565 446 HZ2 LYS 71 1HZ LYS 71 -7.756 -4.878 -11.278 447 HZ3 LYS 71 2HZ LYS 71 -9.243 -5.573 -11.431 448 H LEU 72 H LEU 72 -9.278 -8.831 -6.038 449 HA LEU 72 HA LEU 72 -7.340 -10.029 -4.117 450 HB3 LEU 72 2HB LEU 72 -8.280 -8.294 -2.546 451 HG LEU 72 HG LEU 72 -6.730 -7.234 -4.924 452 HD11 LEU 72 1HD1 LEU 72 -6.317 -5.229 -3.499 453 HD12 LEU 72 2HD1 LEU 72 -7.495 -5.849 -2.314 454 HD13 LEU 72 3HD1 LEU 72 -8.024 -5.394 -3.939 455 HD21 LEU 72 3HD2 LEU 72 -5.529 -8.855 -3.478 456 HD22 LEU 72 1HD2 LEU 72 -5.966 -7.916 -2.038 457 HD23 LEU 72 2HD2 LEU 72 -4.877 -7.225 -3.259 458 H ALA 73 H ALA 73 -10.756 -8.991 -4.599 459 HA ALA 73 HA ALA 73 -11.871 -10.093 -2.369 460 HB1 ALA 73 1HB ALA 73 -14.031 -9.880 -3.558 461 HB2 ALA 73 2HB ALA 73 -12.992 -8.494 -3.909 462 HB3 ALA 73 3HB ALA 73 -13.188 -9.785 -5.115 463 H ALA 74 H ALA 74 -11.785 -11.657 -5.608 464 HA ALA 74 HA ALA 74 -12.977 -14.094 -4.581 465 HB1 ALA 74 1HB ALA 74 -12.624 -14.916 -6.844 466 HB2 ALA 74 2HB ALA 74 -13.279 -13.269 -6.888 467 HB3 ALA 74 3HB ALA 74 -11.551 -13.541 -7.224 468 H ASP 75 H ASP 75 -9.749 -12.875 -4.632 469 HA ASP 75 HA ASP 75 -8.339 -15.447 -4.612 470 HB3 ASP 75 2HB ASP 75 -6.805 -13.360 -3.378 471 H LEU 76 H LEU 76 -9.305 -12.938 -2.353 472 HA LEU 76 HA LEU 76 -8.821 -14.438 0.095 473 HB3 LEU 76 2HB LEU 76 -9.754 -12.296 1.090 474 HG LEU 76 HG LEU 76 -7.472 -12.004 -0.905 475 HD11 LEU 76 1HD1 LEU 76 -8.400 -9.843 -0.548 476 HD12 LEU 76 2HD1 LEU 76 -6.885 -9.945 0.342 477 HD13 LEU 76 3HD1 LEU 76 -8.421 -10.059 1.233 478 HD21 LEU 76 3HD2 LEU 76 -6.992 -13.567 0.913 479 HD22 LEU 76 1HD2 LEU 76 -7.583 -12.395 2.119 480 HD23 LEU 76 2HD2 LEU 76 -6.112 -12.058 1.174 481 H GLU 77 H GLU 77 -10.535 -15.809 -1.558 482 HA GLU 77 HA GLU 77 -13.288 -15.490 -1.255 483 HB3 GLU 77 2HB GLU 77 -11.724 -18.104 -1.361 484 HG3 GLU 77 2HG GLU 77 -14.528 -17.356 -2.318 485 H GLY 78 H GLY 78 -14.169 -14.953 0.718 486 HA2 GLY 78 1HA GLY 78 -15.016 -15.321 2.790 487 HA3 GLY 78 2HA GLY 78 -14.394 -16.950 2.776 488 H LYS 79 H LYS 79 -12.007 -14.517 2.160 489 HA LYS 79 HA LYS 79 -11.048 -14.619 5.011 490 HB3 LYS 79 2HB LYS 79 -8.774 -14.293 4.075 491 HG3 LYS 79 2HG LYS 79 -10.120 -16.823 3.009 492 HD3 LYS 79 2HD LYS 79 -7.810 -17.735 3.835 493 HE3 LYS 79 2HE LYS 79 -6.621 -16.790 1.658 494 HZ1 LYS 79 3HZ LYS 79 -7.517 -18.991 1.767 495 HZ2 LYS 79 1HZ LYS 79 -7.955 -18.334 0.345 496 HZ3 LYS 79 2HZ LYS 79 -9.054 -18.498 1.579 497 H ALA 80 H ALA 80 -12.270 -12.522 2.579 498 HA ALA 80 HA ALA 80 -12.035 -10.394 4.511 499 HB1 ALA 80 1HB ALA 80 -11.392 -8.695 2.702 500 HB2 ALA 80 2HB ALA 80 -10.069 -9.761 3.275 501 HB3 ALA 80 3HB ALA 80 -10.864 -10.077 1.720 502 H ASP 81 H ASP 81 -13.832 -9.196 4.464 503 HA ASP 81 HA ASP 81 -16.115 -9.990 2.837 504 HB3 ASP 81 2HB ASP 81 -17.378 -8.671 4.297 505 H GLU 82 H GLU 82 -17.407 -8.284 1.656 506 HA GLU 82 HA GLU 82 -15.886 -6.750 -0.160 507 HB3 GLU 82 2HB GLU 82 -18.188 -5.642 -0.573 508 HG3 GLU 82 2HG GLU 82 -17.908 -8.666 -0.795 509 H GLU 83 H GLU 83 -17.718 -5.815 2.816 510 HA GLU 83 HA GLU 83 -16.929 -3.044 2.537 511 HB3 GLU 83 2HB GLU 83 -19.015 -3.761 3.703 512 HG3 GLU 83 2HG GLU 83 -17.088 -4.549 5.927 513 H THR 84 H THR 84 -15.228 -5.802 3.635 514 HA THR 84 HA THR 84 -13.392 -4.301 5.368 515 HB THR 84 HB THR 84 -13.531 -7.132 4.337 516 HG1 THR 84 1HG THR 84 -14.141 -7.484 6.327 517 HG21 THR 84 3HG2 THR 84 -11.310 -5.980 6.048 518 HG22 THR 84 1HG2 THR 84 -11.106 -6.568 4.378 519 HG23 THR 84 2HG2 THR 84 -11.556 -7.696 5.668 520 H ILE 85 H ILE 85 -13.590 -5.244 1.886 521 HA ILE 85 HA ILE 85 -10.976 -4.530 1.255 522 HB ILE 85 HB ILE 85 -13.321 -3.990 -0.631 523 HG13 ILE 85 2HG1 ILE 85 -13.417 -6.265 0.235 524 HG21 ILE 85 1HG2 ILE 85 -11.103 -2.975 -1.251 525 HG22 ILE 85 2HG2 ILE 85 -10.355 -4.591 -1.134 526 HG23 ILE 85 3HG2 ILE 85 -11.599 -4.246 -2.348 527 HD11 ILE 85 3HD1 ILE 85 -13.185 -7.553 -1.731 528 HD12 ILE 85 1HD1 ILE 85 -13.458 -5.914 -2.342 529 HD13 ILE 85 2HD1 ILE 85 -11.807 -6.615 -2.285 530 H ARG 86 H ARG 86 -13.903 -2.484 0.957 531 HA ARG 86 HA ARG 86 -12.637 -0.079 0.403 532 HB3 ARG 86 2HB ARG 86 -15.076 -0.586 0.228 533 HG3 ARG 86 2HG ARG 86 -15.087 -1.084 2.835 534 HD3 ARG 86 2HD ARG 86 -16.455 1.585 2.781 535 HE ARG 86 HE ARG 86 -16.076 -0.564 4.698 536 HH11 ARG 86 1HH1 ARG 86 -16.792 2.925 4.389 537 HH12 ARG 86 2HH1 ARG 86 -17.221 3.124 6.048 538 HH21 ARG 86 1HH2 ARG 86 -16.822 -0.344 6.817 539 HH22 ARG 86 2HH2 ARG 86 -17.550 1.107 7.368 540 H ALA 87 H ALA 87 -13.218 -1.580 3.543 541 HA ALA 87 HA ALA 87 -12.498 0.699 5.021 542 HB1 ALA 87 1HB ALA 87 -13.805 -1.167 6.022 543 HB2 ALA 87 2HB ALA 87 -12.403 -2.241 5.883 544 HB3 ALA 87 3HB ALA 87 -12.363 -0.858 6.984 545 H LYS 88 H LYS 88 -10.590 -2.105 3.828 546 HA LYS 88 HA LYS 88 -8.428 -1.606 5.647 547 HB3 LYS 88 2HB LYS 88 -7.588 -3.257 3.389 548 HG3 LYS 88 2HG LYS 88 -6.904 -3.268 5.860 549 HD3 LYS 88 2HD LYS 88 -9.253 -5.162 6.184 550 HE3 LYS 88 2HE LYS 88 -8.812 -4.872 8.591 551 HZ1 LYS 88 3HZ LYS 88 -6.259 -5.441 7.237 552 HZ2 LYS 88 1HZ LYS 88 -7.497 -6.556 7.404 553 HZ3 LYS 88 2HZ LYS 88 -6.699 -5.958 8.719 554 H MET 89 H MET 89 -8.816 -0.700 2.207 555 HA MET 89 HA MET 89 -6.122 0.298 1.990 556 HB3 MET 89 2HB MET 89 -6.704 1.335 -0.026 557 HG3 MET 89 2HG MET 89 -8.585 -1.022 0.107 558 HE1 MET 89 3HE MET 89 -8.592 -1.907 -3.753 559 HE2 MET 89 1HE MET 89 -7.334 -2.473 -2.638 560 HE3 MET 89 2HE MET 89 -9.032 -2.448 -2.118 561 H VAL 90 H VAL 90 -8.509 1.437 4.033 562 HA VAL 90 HA VAL 90 -7.497 4.230 4.023 563 HB VAL 90 HB VAL 90 -10.192 3.121 4.866 564 HG11 VAL 90 1HG1 VAL 90 -10.904 5.472 4.963 565 HG12 VAL 90 2HG1 VAL 90 -9.600 5.127 6.114 566 HG13 VAL 90 3HG1 VAL 90 -9.243 5.987 4.588 567 HG21 VAL 90 3HG2 VAL 90 -11.090 4.309 2.883 568 HG22 VAL 90 1HG2 VAL 90 -9.427 4.642 2.347 569 HG23 VAL 90 2HG2 VAL 90 -10.052 2.972 2.445 570 H GLU 91 H GLU 91 -8.155 1.304 5.888 571 HA GLU 91 HA GLU 91 -7.812 2.213 8.528 572 HB3 GLU 91 2HB GLU 91 -7.231 -0.420 7.109 573 HG3 GLU 91 2HG GLU 91 -7.816 -1.262 9.570 574 H LEU 92 H LEU 92 -5.377 0.998 6.195 575 HA LEU 92 HA LEU 92 -3.152 1.529 7.913 576 HB3 LEU 92 2HB LEU 92 -1.859 0.999 5.807 577 HG LEU 92 HG LEU 92 -4.037 -0.834 6.829 578 HD11 LEU 92 1HD1 LEU 92 -2.214 -1.373 4.476 579 HD12 LEU 92 2HD1 LEU 92 -3.995 -1.405 4.560 580 HD13 LEU 92 3HD1 LEU 92 -3.047 -2.627 5.424 581 HD21 LEU 92 3HD2 LEU 92 -2.137 -2.128 7.647 582 HD22 LEU 92 1HD2 LEU 92 -2.004 -0.463 8.201 583 HD23 LEU 92 2HD2 LEU 92 -0.984 -1.031 6.851 584 H ARG 93 H ARG 93 -4.963 3.967 6.621 585 HA ARG 93 HA ARG 93 -3.137 5.309 4.929 586 HB3 ARG 93 2HB ARG 93 -5.537 6.486 6.399 587 HG3 ARG 93 2HG ARG 93 -4.088 7.284 3.841 588 HD3 ARG 93 2HD ARG 93 -6.728 8.339 4.917 589 HE ARG 93 HE ARG 93 -4.690 9.603 3.333 590 HH11 ARG 93 1HH1 ARG 93 -8.276 9.407 3.266 591 HH12 ARG 93 2HH1 ARG 93 -8.455 11.117 3.071 592 HH21 ARG 93 1HH2 ARG 93 -4.939 11.675 2.749 593 HH22 ARG 93 2HH2 ARG 93 -6.484 12.452 2.603 594 H ALA 94 H ALA 94 -3.084 5.250 8.416 595 HA ALA 94 HA ALA 94 -1.378 7.694 8.507 596 HB1 ALA 94 1HB ALA 94 -2.964 7.535 10.356 597 HB2 ALA 94 2HB ALA 94 -2.357 5.905 10.754 598 HB3 ALA 94 3HB ALA 94 -1.303 7.312 10.904 599 H THR 95 H THR 95 -1.308 4.136 9.204 600 HA THR 95 HA THR 95 1.356 3.835 9.805 601 HB THR 95 HB THR 95 -0.515 1.985 8.303 602 HG1 THR 95 1HG THR 95 -0.529 1.018 10.406 603 HG21 THR 95 3HG2 THR 95 1.027 0.153 8.943 604 HG22 THR 95 1HG2 THR 95 2.190 1.337 9.581 605 HG23 THR 95 2HG2 THR 95 1.812 1.259 7.848 606 H ALA 96 H ALA 96 -0.095 4.197 6.573 607 HA ALA 96 HA ALA 96 1.990 3.699 4.877 608 HB1 ALA 96 1HB ALA 96 0.145 6.131 4.770 609 HB2 ALA 96 2HB ALA 96 1.003 5.401 3.399 610 HB3 ALA 96 3HB ALA 96 -0.290 4.498 4.243 611 H ARG 97 H ARG 97 1.652 6.777 6.761 612 HA ARG 97 HA ARG 97 4.168 7.685 5.541 613 HB3 ARG 97 2HB ARG 97 2.177 9.238 6.018 614 HG3 ARG 97 2HG ARG 97 3.573 9.513 8.717 615 HD3 ARG 97 2HD ARG 97 0.978 10.789 7.768 616 HE ARG 97 HE ARG 97 2.630 12.302 9.551 617 HH11 ARG 97 1HH1 ARG 97 0.578 9.414 9.760 618 HH12 ARG 97 2HH1 ARG 97 0.043 9.750 11.374 619 HH21 ARG 97 1HH2 ARG 97 1.965 12.740 11.621 620 HH22 ARG 97 2HH2 ARG 97 0.891 11.682 12.493 621 H GLU 98 H GLU 98 3.026 6.390 8.672 622 HA GLU 98 HA GLU 98 5.235 6.888 10.256 623 HB3 GLU 98 2HB GLU 98 4.390 4.639 11.259 624 HG3 GLU 98 2HG GLU 98 2.483 6.994 11.065 625 H GLN 99 H GLN 99 4.643 4.251 7.863 626 HA GLN 99 HA GLN 99 6.711 2.559 8.634 627 HB3 GLN 99 2HB GLN 99 6.758 1.860 6.175 628 HG3 GLN 99 2HG GLN 99 4.044 1.775 7.524 629 HE21 GLN 99 1HE2 GLN 99 4.132 -1.070 7.788 630 HE22 GLN 99 2HE2 GLN 99 4.110 -1.729 6.178 631 H ILE 100 H ILE 100 7.074 5.531 6.615 632 HA ILE 100 HA ILE 100 9.865 4.861 5.937 633 HB ILE 100 HB ILE 100 8.432 7.508 5.922 634 HG13 ILE 100 2HG1 ILE 100 7.975 7.318 3.595 635 HG21 ILE 100 1HG2 ILE 100 10.791 7.947 5.868 636 HG22 ILE 100 2HG2 ILE 100 11.093 6.625 4.727 637 HG23 ILE 100 3HG2 ILE 100 10.271 8.089 4.184 638 HD11 ILE 100 3HD1 ILE 100 9.818 6.192 2.595 639 HD12 ILE 100 1HD1 ILE 100 9.501 4.713 3.512 640 HD13 ILE 100 2HD1 ILE 100 8.361 5.247 2.263 641 H ILE 101 H ILE 101 8.121 6.969 8.220 642 HA ILE 101 HA ILE 101 10.355 8.144 9.492 643 HB ILE 101 HB ILE 101 7.472 7.720 10.392 644 HG13 ILE 101 2HG1 ILE 101 7.912 9.048 8.200 645 HG21 ILE 101 1HG2 ILE 101 7.863 9.698 11.900 646 HG22 ILE 101 2HG2 ILE 101 8.808 8.287 12.341 647 HG23 ILE 101 3HG2 ILE 101 9.589 9.614 11.477 648 HD11 ILE 101 3HD1 ILE 101 6.330 10.752 8.624 649 HD12 ILE 101 1HD1 ILE 101 5.824 9.334 9.558 650 HD13 ILE 101 2HD1 ILE 101 6.601 10.712 10.371 651 H SER 102 H SER 102 9.144 4.976 9.678 652 HA SER 102 HA SER 102 10.642 4.445 12.204 653 HB3 SER 102 2HB SER 102 8.528 2.558 11.314 654 HG SER 102 HG SER 102 8.395 2.320 13.465 655 H GLU 103 H GLU 103 11.282 4.230 9.045 656 HA GLU 103 HA GLU 103 12.781 1.661 9.361 657 HB3 GLU 103 2HB GLU 103 12.683 1.585 6.790 658 HG3 GLU 103 2HG GLU 103 10.171 1.019 8.376 659 H ILE 104 H ILE 104 13.337 4.529 9.980 660 HA ILE 104 HA ILE 104 14.778 6.047 8.322 661 HB ILE 104 HB ILE 104 15.458 5.483 11.238 662 HG13 ILE 104 2HG1 ILE 104 13.980 7.269 11.882 663 HG21 ILE 104 1HG2 ILE 104 17.256 6.805 10.294 664 HG22 ILE 104 2HG2 ILE 104 16.121 7.960 9.580 665 HG23 ILE 104 3HG2 ILE 104 16.284 7.826 11.345 666 HD11 ILE 104 3HD1 ILE 104 14.004 8.722 9.913 667 HD12 ILE 104 1HD1 ILE 104 13.085 7.490 8.991 668 HD13 ILE 104 2HD1 ILE 104 12.372 8.302 10.405 Start of MODEL 4 1 H1 MET 1 H MET 1 17.289 14.349 -8.091 2 HA MET 1 HA MET 1 16.142 14.155 -10.803 3 HB3 MET 1 2HB MET 1 16.766 16.596 -10.943 4 HG3 MET 1 2HG MET 1 14.898 17.416 -9.580 5 HE1 MET 1 3HE MET 1 11.623 16.333 -11.310 6 HE2 MET 1 1HE MET 1 12.082 16.015 -9.622 7 HE3 MET 1 2HE MET 1 12.476 17.582 -10.376 8 H THR 2 H THR 2 19.206 13.615 -9.200 9 HA THR 2 HA THR 2 20.626 15.073 -11.324 10 HB THR 2 HB THR 2 21.570 14.435 -8.534 11 HG1 THR 2 1HG THR 2 20.533 16.918 -8.847 12 HG21 THR 2 3HG2 THR 2 23.220 15.392 -10.105 13 HG22 THR 2 1HG2 THR 2 22.789 16.555 -8.869 14 HG23 THR 2 2HG2 THR 2 22.109 16.713 -10.502 15 H THR 3 H THR 3 20.112 12.800 -12.338 16 HA THR 3 HA THR 3 20.638 10.881 -13.182 17 HB THR 3 HB THR 3 22.871 10.459 -14.012 18 HG1 THR 3 1HG THR 3 24.540 11.789 -13.645 19 HG21 THR 3 3HG2 THR 3 21.337 12.073 -15.116 20 HG22 THR 3 1HG2 THR 3 23.036 12.411 -15.426 21 HG23 THR 3 2HG2 THR 3 22.133 13.404 -14.252 22 H PHE 4 H PHE 4 21.788 11.182 -9.954 23 HA PHE 4 HA PHE 4 21.566 8.292 -9.556 24 HB3 PHE 4 2HB PHE 4 23.475 8.676 -7.845 25 HD1 PHE 4 1HD PHE 4 24.526 9.964 -11.203 26 HD2 PHE 4 2HD PHE 4 24.139 6.524 -8.617 27 HE1 PHE 4 1HE PHE 4 25.746 8.571 -12.853 28 HE2 PHE 4 2HE PHE 4 25.425 5.176 -10.231 29 HZ PHE 4 HZ PHE 4 26.246 6.180 -12.358 30 H ASP 5 H ASP 5 21.398 8.005 -7.072 31 HA ASP 5 HA ASP 5 19.625 10.091 -5.864 32 HB3 ASP 5 2HB ASP 5 18.473 7.925 -4.872 33 H ASP 6 H ASP 6 21.283 6.974 -5.325 34 HA ASP 6 HA ASP 6 22.587 6.137 -3.731 35 HB3 ASP 6 2HB ASP 6 24.549 7.496 -3.224 36 H ARG 7 H ARG 7 23.820 7.401 -1.406 37 HA ARG 7 HA ARG 7 21.416 7.558 0.323 38 HB3 ARG 7 2HB ARG 7 22.936 7.316 2.176 39 HG3 ARG 7 2HG ARG 7 23.936 5.421 0.018 40 HD3 ARG 7 2HD ARG 7 24.506 5.394 2.681 41 HE ARG 7 HE ARG 7 21.824 4.470 2.502 42 HH11 ARG 7 1HH1 ARG 7 24.868 3.578 4.075 43 HH12 ARG 7 2HH1 ARG 7 24.139 2.509 5.220 44 HH21 ARG 7 1HH2 ARG 7 20.882 2.977 3.825 45 HH22 ARG 7 2HH2 ARG 7 21.678 2.264 5.183 46 H GLU 8 H GLU 8 21.780 9.629 -1.585 47 HA GLU 8 HA GLU 8 22.629 11.977 0.028 48 HB3 GLU 8 2HB GLU 8 22.162 11.763 -2.961 49 HG3 GLU 8 2HG GLU 8 23.107 13.944 -1.123 50 H ARG 9 H ARG 9 19.757 10.342 -0.924 51 HA ARG 9 HA ARG 9 17.973 12.625 -0.744 52 HB3 ARG 9 2HB ARG 9 16.934 10.842 -1.688 53 HG3 ARG 9 2HG ARG 9 16.806 8.605 -0.059 54 HD3 ARG 9 2HD ARG 9 18.369 7.508 -1.656 55 HE ARG 9 HE ARG 9 16.711 9.198 -3.405 56 HH11 ARG 9 1HH1 ARG 9 16.781 6.305 -1.360 57 HH12 ARG 9 2HH1 ARG 9 15.455 5.569 -2.183 58 HH21 ARG 9 1HH2 ARG 9 15.154 8.156 -4.567 59 HH22 ARG 9 2HH2 ARG 9 14.424 6.696 -4.016 60 H ALA 10 H ALA 10 16.494 12.876 0.988 61 HA ALA 10 HA ALA 10 17.308 12.087 3.697 62 HB1 ALA 10 1HB ALA 10 17.438 14.994 2.916 63 HB2 ALA 10 2HB ALA 10 17.545 14.329 4.579 64 HB3 ALA 10 3HB ALA 10 18.787 13.914 3.377 65 H HIS 11 H HIS 11 15.095 11.208 2.734 66 HA HIS 11 HA HIS 11 12.818 12.998 2.701 67 HB3 HIS 11 2HB HIS 11 13.012 11.150 1.196 68 HD1 HIS 11 1HD HIS 11 11.421 8.612 1.174 69 HD2 HIS 11 2HD HIS 11 14.196 9.555 4.211 70 HE1 HIS 11 1HE HIS 11 11.930 6.417 2.370 71 H GLU 12 H GLU 12 14.246 12.855 5.354 72 HA GLU 12 HA GLU 12 12.126 11.772 7.125 73 HB3 GLU 12 2HB GLU 12 13.616 12.757 8.927 74 HG3 GLU 12 2HG GLU 12 14.776 10.620 7.071 75 H ALA 13 H ALA 13 13.774 14.916 7.501 76 HA ALA 13 HA ALA 13 11.313 16.151 8.187 77 HB1 ALA 13 1HB ALA 13 12.762 18.196 8.411 78 HB2 ALA 13 2HB ALA 13 13.403 16.772 9.253 79 HB3 ALA 13 3HB ALA 13 14.093 17.287 7.688 80 H LYS 14 H LYS 14 12.732 15.676 5.186 81 HA LYS 14 HA LYS 14 11.922 18.032 3.754 82 HB3 LYS 14 2HB LYS 14 11.949 16.307 1.752 83 HG3 LYS 14 2HG LYS 14 14.364 16.148 1.680 84 HD3 LYS 14 2HD LYS 14 13.940 18.928 2.810 85 HE3 LYS 14 2HE LYS 14 15.057 19.476 0.592 86 HZ1 LYS 14 3HZ LYS 14 16.641 19.293 2.261 87 HZ2 LYS 14 1HZ LYS 14 17.192 18.279 1.107 88 HZ3 LYS 14 2HZ LYS 14 16.474 17.675 2.461 89 H PHE 15 H PHE 15 9.847 15.595 5.088 90 HA PHE 15 HA PHE 15 7.887 15.527 3.017 91 HB3 PHE 15 2HB PHE 15 6.446 15.161 5.331 92 HD1 PHE 15 1HD PHE 15 5.415 13.845 3.454 93 HD2 PHE 15 2HD PHE 15 9.322 12.876 5.001 94 HE1 PHE 15 1HE PHE 15 5.358 11.654 2.269 95 HE2 PHE 15 2HE PHE 15 9.254 10.690 3.836 96 HZ PHE 15 HZ PHE 15 7.274 10.103 2.418 97 H ALA 16 H ALA 16 8.688 18.107 5.173 98 HA ALA 16 HA ALA 16 6.113 19.490 4.673 99 HB1 ALA 16 1HB ALA 16 6.956 19.446 6.906 100 HB2 ALA 16 2HB ALA 16 8.502 20.147 6.399 101 HB3 ALA 16 3HB ALA 16 7.000 21.116 6.286 102 H HIS 17 H HIS 17 8.392 18.862 2.598 103 HA HIS 17 HA HIS 17 8.519 21.549 1.395 104 HB3 HIS 17 2HB HIS 17 11.060 20.314 0.986 105 HD1 HIS 17 1HD HIS 17 11.698 22.646 0.054 106 HD2 HIS 17 2HD HIS 17 10.353 22.614 4.039 107 HE1 HIS 17 1HE HIS 17 12.189 24.970 0.997 108 H ASP 18 H ASP 18 9.636 18.130 0.849 109 HA ASP 18 HA ASP 18 9.488 18.594 -2.030 110 HB3 ASP 18 2HB ASP 18 10.303 16.076 -1.954 111 H ALA 19 H ALA 19 7.977 17.985 -3.324 112 HA ALA 19 HA ALA 19 5.484 16.797 -2.413 113 HB1 ALA 19 1HB ALA 19 5.697 18.544 -4.253 114 HB2 ALA 19 2HB ALA 19 6.447 17.310 -5.276 115 HB3 ALA 19 3HB ALA 19 4.782 17.093 -4.718 116 H GLU 20 H GLU 20 8.345 15.732 -4.223 117 HA GLU 20 HA GLU 20 7.389 13.358 -5.300 118 HB3 GLU 20 2HB GLU 20 10.207 13.478 -4.207 119 HG3 GLU 20 2HG GLU 20 9.597 13.099 -7.123 120 H LEU 21 H LEU 21 8.182 14.016 -1.965 121 HA LEU 21 HA LEU 21 8.404 11.209 -1.135 122 HB3 LEU 21 2HB LEU 21 8.803 12.149 1.074 123 HG LEU 21 HG LEU 21 10.133 14.015 -0.901 124 HD11 LEU 21 1HD1 LEU 21 11.810 14.128 0.914 125 HD12 LEU 21 2HD1 LEU 21 10.686 13.227 1.976 126 HD13 LEU 21 3HD1 LEU 21 10.226 14.810 1.351 127 HD21 LEU 21 3HD2 LEU 21 12.024 12.318 -0.646 128 HD22 LEU 21 1HD2 LEU 21 10.657 11.816 -1.641 129 HD23 LEU 21 2HD2 LEU 21 10.807 11.190 0.008 130 H ASN 22 H ASN 22 6.150 13.936 -0.795 131 HA ASN 22 HA ASN 22 4.057 12.803 0.722 132 HB3 ASN 22 2HB ASN 22 3.745 14.701 -1.648 133 HD21 ASN 22 1HD2 ASN 22 2.698 16.561 0.517 134 HD22 ASN 22 2HD2 ASN 22 1.017 16.070 0.758 135 H PHE 23 H PHE 23 4.482 12.857 -2.829 136 HA PHE 23 HA PHE 23 2.261 11.295 -3.470 137 HB3 PHE 23 2HB PHE 23 4.639 11.007 -5.268 138 HD1 PHE 23 1HD PHE 23 2.328 9.555 -5.821 139 HD2 PHE 23 2HD PHE 23 2.820 13.752 -6.373 140 HE1 PHE 23 1HE PHE 23 0.526 9.524 -7.523 141 HE2 PHE 23 2HE PHE 23 0.996 13.766 -8.026 142 HZ PHE 23 HZ PHE 23 -0.141 11.648 -8.590 143 H LYS 24 H LYS 24 5.708 10.046 -2.748 144 HA LYS 24 HA LYS 24 5.098 7.436 -3.568 145 HB3 LYS 24 2HB LYS 24 7.209 9.076 -2.159 146 HG3 LYS 24 2HG LYS 24 6.912 6.375 -1.557 147 HD3 LYS 24 2HD LYS 24 9.527 6.948 -3.000 148 HE3 LYS 24 2HE LYS 24 8.275 4.495 -1.774 149 HZ1 LYS 24 3HZ LYS 24 10.985 4.802 -2.893 150 HZ2 LYS 24 1HZ LYS 24 9.789 3.941 -3.599 151 HZ3 LYS 24 2HZ LYS 24 10.372 3.465 -2.146 152 H ALA 25 H ALA 25 4.953 9.251 -0.501 153 HA ALA 25 HA ALA 25 4.370 6.962 1.125 154 HB1 ALA 25 1HB ALA 25 3.591 8.598 2.813 155 HB2 ALA 25 2HB ALA 25 5.106 9.153 2.076 156 HB3 ALA 25 3HB ALA 25 3.563 9.872 1.574 157 H GLU 26 H GLU 26 2.148 9.225 -0.508 158 HA GLU 26 HA GLU 26 -0.245 8.050 0.329 159 HB3 GLU 26 2HB GLU 26 0.366 9.149 -2.461 160 HG3 GLU 26 2HG GLU 26 -1.846 10.317 -1.929 161 H ALA 27 H ALA 27 2.094 7.031 -2.084 162 HA ALA 27 HA ALA 27 0.364 5.012 -3.267 163 HB1 ALA 27 1HB ALA 27 2.186 4.661 -4.761 164 HB2 ALA 27 2HB ALA 27 2.057 6.411 -4.445 165 HB3 ALA 27 3HB ALA 27 3.338 5.468 -3.661 166 H ARG 28 H ARG 28 1.863 4.966 -0.295 167 HA ARG 28 HA ARG 28 2.459 2.038 -0.392 168 HB3 ARG 28 2HB ARG 28 2.641 2.368 2.151 169 HG3 ARG 28 2HG ARG 28 4.801 3.768 1.932 170 HD3 ARG 28 2HD ARG 28 4.225 1.111 0.703 171 HE ARG 28 HE ARG 28 7.044 1.794 0.585 172 HH11 ARG 28 1HH1 ARG 28 4.019 1.639 -1.332 173 HH12 ARG 28 2HH1 ARG 28 4.816 1.182 -2.772 174 HH21 ARG 28 1HH2 ARG 28 8.088 1.620 -1.512 175 HH22 ARG 28 2HH2 ARG 28 7.089 1.411 -2.934 176 H ARG 29 H ARG 29 -0.317 4.143 -0.072 177 HA ARG 29 HA ARG 29 -1.723 2.885 1.935 178 HB3 ARG 29 2HB ARG 29 -3.778 3.598 0.500 179 HG3 ARG 29 2HG ARG 29 -1.875 5.863 1.109 180 HD3 ARG 29 2HD ARG 29 -4.232 6.226 0.213 181 HE ARG 29 HE ARG 29 -4.851 4.399 2.296 182 HH11 ARG 29 1HH1 ARG 29 -6.271 7.283 0.696 183 HH12 ARG 29 2HH1 ARG 29 -7.862 6.755 1.013 184 HH21 ARG 29 1HH2 ARG 29 -7.031 3.864 2.796 185 HH22 ARG 29 2HH2 ARG 29 -8.289 5.007 2.352 186 H ASN 30 H ASN 30 -1.832 1.893 -1.512 187 HA ASN 30 HA ASN 30 -3.594 -0.330 -0.702 188 HB3 ASN 30 2HB ASN 30 -2.490 -0.069 -3.466 189 HD21 ASN 30 1HD2 ASN 30 -5.596 0.097 -1.694 190 HD22 ASN 30 2HD2 ASN 30 -6.428 -1.130 -2.609 191 H ARG 31 H ARG 31 -0.210 0.068 -1.578 192 HA ARG 31 HA ARG 31 0.621 -2.432 -2.373 193 HB3 ARG 31 2HB ARG 31 2.005 -0.438 -0.514 194 HG3 ARG 31 2HG ARG 31 4.107 -1.448 -1.669 195 HD3 ARG 31 2HD ARG 31 3.088 -3.130 0.601 196 HE ARG 31 HE ARG 31 5.313 -3.695 -0.165 197 HH11 ARG 31 1HH1 ARG 31 5.163 -1.139 2.223 198 HH12 ARG 31 2HH1 ARG 31 6.842 -0.705 2.034 199 HH21 ARG 31 1HH2 ARG 31 7.587 -3.450 0.098 200 HH22 ARG 31 2HH2 ARG 31 8.171 -2.130 1.103 201 H LEU 32 H LEU 32 0.236 -1.384 0.990 202 HA LEU 32 HA LEU 32 1.231 -3.870 2.015 203 HB3 LEU 32 2HB LEU 32 1.494 -1.514 2.894 204 HG LEU 32 HG LEU 32 -0.881 -2.201 4.649 205 HD11 LEU 32 1HD1 LEU 32 -0.423 0.068 5.556 206 HD12 LEU 32 2HD1 LEU 32 0.875 0.270 4.391 207 HD13 LEU 32 3HD1 LEU 32 0.997 -0.958 5.656 208 HD21 LEU 32 3HD2 LEU 32 -0.791 -0.074 2.497 209 HD22 LEU 32 1HD2 LEU 32 -2.030 -0.178 3.720 210 HD23 LEU 32 2HD2 LEU 32 -1.906 -1.444 2.536 211 H LEU 33 H LEU 33 -1.781 -3.184 0.855 212 HA LEU 33 HA LEU 33 -3.487 -4.781 2.515 213 HB3 LEU 33 2HB LEU 33 -3.739 -4.013 -0.415 214 HG LEU 33 HG LEU 33 -5.404 -5.584 0.420 215 HD11 LEU 33 1HD1 LEU 33 -5.636 -4.928 2.789 216 HD12 LEU 33 2HD1 LEU 33 -7.198 -4.751 1.982 217 HD13 LEU 33 3HD1 LEU 33 -6.197 -3.325 2.315 218 HD21 LEU 33 3HD2 LEU 33 -6.435 -2.778 -0.194 219 HD22 LEU 33 1HD2 LEU 33 -7.363 -4.285 -0.416 220 HD23 LEU 33 2HD2 LEU 33 -5.917 -3.973 -1.382 221 H GLY 34 H GLY 34 -1.335 -5.320 -0.290 222 HA2 GLY 34 1HA GLY 34 -2.068 -7.960 -1.038 223 HA3 GLY 34 2HA GLY 34 -0.466 -7.252 -1.172 224 H GLU 35 H GLU 35 0.273 -6.778 1.372 225 HA GLU 35 HA GLU 35 1.396 -9.223 2.088 226 HB3 GLU 35 2HB GLU 35 2.188 -8.008 4.093 227 HG3 GLU 35 2HG GLU 35 2.249 -6.409 1.513 228 H TRP 36 H TRP 36 -1.565 -7.730 3.316 229 HA TRP 36 HA TRP 36 -1.932 -9.471 5.628 230 HB3 TRP 36 2HB TRP 36 -3.636 -7.576 4.017 231 HD1 TRP 36 HD TRP 36 -4.365 -9.832 7.119 232 HE1 TRP 36 1HE TRP 36 -6.863 -10.421 7.098 233 HE3 TRP 36 3HE TRP 36 -5.803 -7.254 2.933 234 HZ2 TRP 36 2HZ TRP 36 -9.200 -9.752 5.580 235 HZ3 TRP 36 3HZ TRP 36 -8.193 -7.203 2.256 236 HH2 TRP 36 HH TRP 36 -9.894 -8.442 3.572 237 H ALA 37 H ALA 37 -3.681 -9.327 2.533 238 HA ALA 37 HA ALA 37 -4.974 -11.784 2.679 239 HB1 ALA 37 1HB ALA 37 -3.917 -10.295 0.205 240 HB2 ALA 37 2HB ALA 37 -5.186 -11.523 0.191 241 HB3 ALA 37 3HB ALA 37 -5.474 -9.983 1.028 242 H ALA 38 H ALA 38 -1.638 -11.203 1.417 243 HA ALA 38 HA ALA 38 -1.004 -13.596 0.282 244 HB1 ALA 38 1HB ALA 38 0.666 -12.120 2.363 245 HB2 ALA 38 2HB ALA 38 1.244 -13.289 1.166 246 HB3 ALA 38 3HB ALA 38 0.593 -11.729 0.633 247 H GLY 39 H GLY 39 -0.994 -13.036 3.849 248 HA2 GLY 39 1HA GLY 39 -0.217 -15.660 4.594 249 HA3 GLY 39 2HA GLY 39 -1.106 -14.499 5.608 250 H LEU 40 H LEU 40 -3.489 -14.227 4.163 251 HA LEU 40 HA LEU 40 -5.026 -16.431 4.907 252 HB3 LEU 40 2HB LEU 40 -6.768 -15.360 3.495 253 HG LEU 40 HG LEU 40 -6.495 -14.510 5.739 254 HD11 LEU 40 1HD1 LEU 40 -4.519 -12.639 4.608 255 HD12 LEU 40 2HD1 LEU 40 -4.352 -13.687 6.037 256 HD13 LEU 40 3HD1 LEU 40 -5.405 -12.255 6.081 257 HD21 LEU 40 3HD2 LEU 40 -8.077 -13.445 3.994 258 HD22 LEU 40 1HD2 LEU 40 -6.918 -12.095 3.990 259 HD23 LEU 40 2HD2 LEU 40 -7.786 -12.552 5.477 260 H LEU 41 H LEU 41 -3.751 -15.476 1.659 261 HA LEU 41 HA LEU 41 -4.818 -17.752 0.273 262 HB3 LEU 41 2HB LEU 41 -2.813 -17.081 -1.294 263 HG LEU 41 HG LEU 41 -5.275 -16.575 -1.495 264 HD11 LEU 41 1HD1 LEU 41 -6.124 -14.358 -1.300 265 HD12 LEU 41 2HD1 LEU 41 -4.591 -13.775 -0.614 266 HD13 LEU 41 3HD1 LEU 41 -5.598 -14.933 0.283 267 HD21 LEU 41 3HD2 LEU 41 -4.991 -15.075 -3.362 268 HD22 LEU 41 1HD2 LEU 41 -3.475 -15.973 -3.255 269 HD23 LEU 41 2HD2 LEU 41 -3.583 -14.310 -2.637 270 H GLY 42 H GLY 42 -2.038 -17.251 2.215 271 HA2 GLY 42 1HA GLY 42 -1.090 -19.083 3.507 272 HA3 GLY 42 2HA GLY 42 -1.398 -20.172 2.161 273 H LYS 43 H LYS 43 -0.089 -16.986 1.489 274 HA LYS 43 HA LYS 43 2.591 -18.073 0.817 275 HB3 LYS 43 2HB LYS 43 2.855 -15.795 -0.193 276 HG3 LYS 43 2HG LYS 43 0.232 -16.930 -1.210 277 HD3 LYS 43 2HD LYS 43 2.662 -16.158 -2.874 278 HE3 LYS 43 2HE LYS 43 0.774 -15.492 -4.448 279 HZ1 LYS 43 3HZ LYS 43 -0.103 -17.815 -4.736 280 HZ2 LYS 43 1HZ LYS 43 0.950 -18.309 -3.592 281 HZ3 LYS 43 2HZ LYS 43 1.508 -17.574 -4.982 282 H THR 44 H THR 44 4.263 -17.613 2.261 283 HA THR 44 HA THR 44 4.040 -15.159 3.859 284 HB THR 44 HB THR 44 5.315 -16.422 5.712 285 HG1 THR 44 1HG THR 44 5.589 -18.402 5.411 286 HG21 THR 44 3HG2 THR 44 2.362 -17.014 5.297 287 HG22 THR 44 1HG2 THR 44 3.070 -15.515 5.967 288 HG23 THR 44 2HG2 THR 44 3.256 -17.051 6.843 289 H GLY 45 H GLY 45 6.133 -14.322 4.495 290 HA2 GLY 45 1HA GLY 45 8.403 -13.981 4.209 291 HA3 GLY 45 2HA GLY 45 8.531 -15.585 3.453 292 H ASP 46 H ASP 46 9.503 -15.303 1.514 293 HA ASP 46 HA ASP 46 9.354 -12.799 0.062 294 HB3 ASP 46 2HB ASP 46 10.300 -15.348 -1.244 295 H ASP 47 H ASP 47 7.546 -15.851 -0.091 296 HA ASP 47 HA ASP 47 6.267 -15.655 -2.552 297 HB3 ASP 47 2HB ASP 47 4.381 -16.786 -1.393 298 H ALA 48 H ALA 48 5.463 -14.277 0.581 299 HA ALA 48 HA ALA 48 3.015 -12.972 -0.218 300 HB1 ALA 48 1HB ALA 48 3.172 -12.012 2.100 301 HB2 ALA 48 2HB ALA 48 3.397 -13.778 2.085 302 HB3 ALA 48 3HB ALA 48 4.801 -12.704 2.259 303 H ARG 49 H ARG 49 6.402 -11.960 0.344 304 HA ARG 49 HA ARG 49 6.025 -9.191 0.007 305 HB3 ARG 49 2HB ARG 49 8.562 -10.286 -1.096 306 HG3 ARG 49 2HG ARG 49 8.136 -8.776 1.448 307 HD3 ARG 49 2HD ARG 49 10.152 -8.633 -0.781 308 HE ARG 49 HE ARG 49 10.596 -6.524 -0.100 309 HH11 ARG 49 1HH1 ARG 49 9.271 -8.010 2.801 310 HH12 ARG 49 2HH1 ARG 49 10.118 -6.997 3.914 311 HH21 ARG 49 1HH2 ARG 49 11.638 -5.055 1.326 312 HH22 ARG 49 2HH2 ARG 49 11.451 -5.266 3.038 313 H ALA 50 H ALA 50 6.904 -11.706 -2.399 314 HA ALA 50 HA ALA 50 7.038 -10.038 -4.625 315 HB1 ALA 50 1HB ALA 50 6.743 -12.153 -5.918 316 HB2 ALA 50 2HB ALA 50 7.934 -12.285 -4.609 317 HB3 ALA 50 3HB ALA 50 6.319 -12.987 -4.401 318 H TYR 51 H TYR 51 4.234 -11.930 -3.408 319 HA TYR 51 HA TYR 51 2.285 -11.129 -5.257 320 HB3 TYR 51 2HB TYR 51 2.120 -11.754 -2.288 321 HD1 TYR 51 2HD TYR 51 -0.030 -12.555 -5.274 322 HD2 TYR 51 1HD TYR 51 0.135 -10.825 -1.309 323 HE1 TYR 51 2HE TYR 51 -2.491 -12.551 -5.171 324 HE2 TYR 51 1HE TYR 51 -2.274 -10.835 -1.197 325 HH TYR 51 HH TYR 51 -4.392 -12.063 -3.858 326 H ALA 52 H ALA 52 3.445 -9.341 -2.347 327 HA ALA 52 HA ALA 52 1.497 -7.232 -2.655 328 HB1 ALA 52 1HB ALA 52 4.129 -7.226 -1.124 329 HB2 ALA 52 2HB ALA 52 2.769 -6.110 -0.905 330 HB3 ALA 52 3HB ALA 52 2.580 -7.823 -0.491 331 H LEU 53 H LEU 53 4.171 -7.899 -4.685 332 HA LEU 53 HA LEU 53 4.765 -5.077 -5.142 333 HB3 LEU 53 2HB LEU 53 6.342 -5.692 -6.726 334 HG LEU 53 HG LEU 53 6.558 -8.030 -4.843 335 HD11 LEU 53 1HD1 LEU 53 8.036 -7.962 -6.854 336 HD12 LEU 53 2HD1 LEU 53 8.931 -7.922 -5.314 337 HD13 LEU 53 3HD1 LEU 53 8.703 -6.438 -6.261 338 HD21 LEU 53 3HD2 LEU 53 7.652 -5.252 -4.305 339 HD22 LEU 53 1HD2 LEU 53 7.954 -6.757 -3.367 340 HD23 LEU 53 2HD2 LEU 53 6.331 -6.064 -3.413 341 H THR 54 H THR 54 2.111 -6.973 -6.042 342 HA THR 54 HA THR 54 1.746 -5.420 -8.552 343 HB THR 54 HB THR 54 2.479 -7.629 -9.076 344 HG1 THR 54 1HG THR 54 -0.272 -7.543 -9.591 345 HG21 THR 54 3HG2 THR 54 1.796 -8.982 -7.180 346 HG22 THR 54 1HG2 THR 54 1.055 -9.629 -8.641 347 HG23 THR 54 2HG2 THR 54 0.075 -8.704 -7.521 348 H VAL 55 H VAL 55 0.763 -4.515 -6.017 349 HA VAL 55 HA VAL 55 -2.173 -4.666 -6.509 350 HB VAL 55 HB VAL 55 -1.820 -6.201 -4.828 351 HG11 VAL 55 1HG1 VAL 55 0.131 -4.312 -3.478 352 HG12 VAL 55 2HG1 VAL 55 -0.534 -5.745 -2.722 353 HG13 VAL 55 3HG1 VAL 55 0.447 -5.913 -4.180 354 HG21 VAL 55 3HG2 VAL 55 -2.466 -3.656 -3.302 355 HG22 VAL 55 1HG2 VAL 55 -3.581 -4.577 -4.323 356 HG23 VAL 55 2HG2 VAL 55 -2.903 -5.313 -2.865 357 H VAL 56 H VAL 56 -2.345 -2.575 -7.496 358 HA VAL 56 HA VAL 56 -2.690 -0.598 -5.492 359 HB VAL 56 HB VAL 56 -0.413 -0.199 -5.834 360 HG11 VAL 56 1HG1 VAL 56 -0.858 0.453 -8.735 361 HG12 VAL 56 2HG1 VAL 56 0.667 0.474 -7.835 362 HG13 VAL 56 3HG1 VAL 56 -0.177 -1.063 -8.125 363 HG21 VAL 56 3HG2 VAL 56 -0.415 2.187 -6.251 364 HG22 VAL 56 1HG2 VAL 56 -1.991 2.080 -7.048 365 HG23 VAL 56 2HG2 VAL 56 -1.831 1.717 -5.312 366 H THR 57 H THR 57 -4.817 -0.130 -5.903 367 HA THR 57 HA THR 57 -5.391 1.143 -8.480 368 HB THR 57 HB THR 57 -5.666 -1.249 -8.850 369 HG1 THR 57 1HG THR 57 -7.631 -1.127 -9.843 370 HG21 THR 57 3HG2 THR 57 -8.079 -1.195 -7.024 371 HG22 THR 57 1HG2 THR 57 -6.524 -1.941 -6.597 372 HG23 THR 57 2HG2 THR 57 -7.464 -2.559 -7.974 373 H SER 58 H SER 58 -5.177 2.740 -6.451 374 HA SER 58 HA SER 58 -6.122 4.219 -5.077 375 HB3 SER 58 2HB SER 58 -8.868 3.625 -6.244 376 HG SER 58 HG SER 58 -9.252 5.714 -5.558 377 H ASP 59 H ASP 59 -8.823 4.001 -3.939 378 HA ASP 59 HA ASP 59 -9.001 1.491 -2.566 379 HB3 ASP 59 2HB ASP 59 -7.777 2.779 -0.877 380 H PHE 60 H PHE 60 -11.313 2.406 -0.976 381 HA PHE 60 HA PHE 60 -13.218 2.069 -3.126 382 HB3 PHE 60 2HB PHE 60 -14.780 2.633 -0.973 383 HD1 PHE 60 2HD PHE 60 -15.389 1.073 -3.134 384 HD2 PHE 60 1HD PHE 60 -13.342 -0.172 0.456 385 HE1 PHE 60 2HE PHE 60 -16.281 -1.228 -3.423 386 HE2 PHE 60 1HE PHE 60 -14.243 -2.479 0.149 387 HZ PHE 60 HZ PHE 60 -15.756 -2.986 -1.751 388 H ASP 61 H ASP 61 -13.756 3.630 -4.404 389 HA ASP 61 HA ASP 61 -14.242 6.416 -3.441 390 HB3 ASP 61 2HB ASP 61 -13.759 6.998 -5.874 391 H GLU 62 H GLU 62 -16.401 5.937 -2.961 392 HA GLU 62 HA GLU 62 -18.562 5.580 -3.155 393 HB3 GLU 62 2HB GLU 62 -19.478 5.828 -5.715 394 HG3 GLU 62 2HG GLU 62 -18.638 8.279 -4.159 395 HA PRO 63 HA PRO 63 -19.285 1.378 -4.389 396 HB3 PRO 63 2HB PRO 63 -21.011 1.559 -2.827 397 HG3 PRO 63 2HG PRO 63 -22.656 3.309 -2.961 398 HD3 PRO 63 2HD PRO 63 -20.579 4.391 -2.696 399 H GLY 64 H GLY 64 -18.402 2.448 -6.579 400 HA2 GLY 64 1HA GLY 64 -20.223 1.534 -8.764 401 HA3 GLY 64 2HA GLY 64 -19.493 3.134 -8.839 402 H ASP 65 H ASP 65 -17.011 3.041 -8.267 403 HA ASP 65 HA ASP 65 -15.681 1.612 -10.277 404 HB3 ASP 65 2HB ASP 65 -13.602 2.116 -8.676 405 H GLU 66 H GLU 66 -15.390 1.039 -6.788 406 HA GLU 66 HA GLU 66 -14.695 -0.562 -5.519 407 HB3 GLU 66 2HB GLU 66 -17.037 -1.209 -5.922 408 HG3 GLU 66 2HG GLU 66 -15.839 -3.389 -7.698 409 H ASP 67 H ASP 67 -13.056 -0.306 -8.044 410 HA ASP 67 HA ASP 67 -12.218 -2.635 -9.128 411 HB3 ASP 67 2HB ASP 67 -10.100 -0.567 -8.636 412 H VAL 68 H VAL 68 -10.771 -1.258 -6.104 413 HA VAL 68 HA VAL 68 -8.823 -3.320 -5.712 414 HB VAL 68 HB VAL 68 -10.445 -1.765 -3.632 415 HG11 VAL 68 1HG1 VAL 68 -8.480 -2.356 -2.103 416 HG12 VAL 68 2HG1 VAL 68 -9.538 -3.709 -2.523 417 HG13 VAL 68 3HG1 VAL 68 -7.981 -3.530 -3.330 418 HG21 VAL 68 3HG2 VAL 68 -9.077 -0.264 -5.011 419 HG22 VAL 68 1HG2 VAL 68 -8.421 -0.388 -3.374 420 HG23 VAL 68 2HG2 VAL 68 -7.633 -1.253 -4.699 421 H PHE 69 H PHE 69 -12.194 -3.124 -4.520 422 HA PHE 69 HA PHE 69 -12.186 -5.682 -3.221 423 HB3 PHE 69 2HB PHE 69 -14.403 -3.863 -4.193 424 HD1 PHE 69 2HD PHE 69 -15.914 -5.624 -5.105 425 HD2 PHE 69 1HD PHE 69 -14.365 -5.801 -1.073 426 HE1 PHE 69 2HE PHE 69 -17.604 -7.338 -4.518 427 HE2 PHE 69 1HE PHE 69 -16.030 -7.550 -0.524 428 HZ PHE 69 HZ PHE 69 -17.681 -8.289 -2.222 429 H ARG 70 H ARG 70 -12.940 -4.612 -6.530 430 HA ARG 70 HA ARG 70 -14.207 -6.936 -7.428 431 HB3 ARG 70 2HB ARG 70 -12.368 -5.132 -9.101 432 HG3 ARG 70 2HG ARG 70 -13.367 -6.938 -10.412 433 HD3 ARG 70 2HD ARG 70 -15.891 -5.766 -9.119 434 HE ARG 70 HE ARG 70 -15.812 -7.019 -11.743 435 HH11 ARG 70 1HH1 ARG 70 -17.766 -6.400 -8.812 436 HH12 ARG 70 2HH1 ARG 70 -19.247 -6.707 -9.557 437 HH21 ARG 70 1HH2 ARG 70 -17.860 -7.241 -12.773 438 HH22 ARG 70 2HH2 ARG 70 -19.326 -7.245 -11.821 439 H LYS 71 H LYS 71 -10.785 -6.372 -6.936 440 HA LYS 71 HA LYS 71 -10.176 -9.021 -8.176 441 HB3 LYS 71 2HB LYS 71 -7.864 -8.399 -8.024 442 HG3 LYS 71 2HG LYS 71 -7.619 -6.471 -9.349 443 HD3 LYS 71 2HD LYS 71 -9.281 -6.437 -11.066 444 HE3 LYS 71 2HE LYS 71 -9.168 -9.233 -9.858 445 HZ1 LYS 71 3HZ LYS 71 -9.456 -8.436 -12.657 446 HZ2 LYS 71 1HZ LYS 71 -10.710 -8.972 -11.716 447 HZ3 LYS 71 2HZ LYS 71 -9.461 -9.945 -12.074 448 H LEU 72 H LEU 72 -9.992 -7.241 -5.129 449 HA LEU 72 HA LEU 72 -8.661 -9.146 -3.580 450 HB3 LEU 72 2HB LEU 72 -10.849 -7.298 -2.557 451 HG LEU 72 HG LEU 72 -9.255 -6.701 -0.793 452 HD11 LEU 72 1HD1 LEU 72 -9.605 -8.563 0.602 453 HD12 LEU 72 2HD1 LEU 72 -9.680 -9.684 -0.772 454 HD13 LEU 72 3HD1 LEU 72 -10.980 -8.514 -0.540 455 HD21 LEU 72 3HD2 LEU 72 -7.540 -9.067 -1.651 456 HD22 LEU 72 1HD2 LEU 72 -7.285 -7.958 -0.281 457 HD23 LEU 72 2HD2 LEU 72 -7.158 -7.357 -1.942 458 H ALA 73 H ALA 73 -12.158 -8.615 -3.859 459 HA ALA 73 HA ALA 73 -12.892 -10.878 -2.219 460 HB1 ALA 73 1HB ALA 73 -14.309 -8.873 -2.573 461 HB2 ALA 73 2HB ALA 73 -14.573 -9.376 -4.259 462 HB3 ALA 73 3HB ALA 73 -15.168 -10.374 -2.910 463 H ALA 74 H ALA 74 -11.569 -10.972 -5.299 464 HA ALA 74 HA ALA 74 -12.964 -13.486 -6.079 465 HB1 ALA 74 1HB ALA 74 -10.657 -12.039 -7.480 466 HB2 ALA 74 2HB ALA 74 -11.583 -13.424 -8.058 467 HB3 ALA 74 3HB ALA 74 -12.379 -11.825 -7.868 468 H ASP 75 H ASP 75 -9.668 -12.194 -5.480 469 HA ASP 75 HA ASP 75 -8.257 -14.599 -5.184 470 HB3 ASP 75 2HB ASP 75 -6.992 -12.866 -3.421 471 H LEU 76 H LEU 76 -10.009 -12.699 -2.796 472 HA LEU 76 HA LEU 76 -9.310 -14.535 -0.612 473 HB3 LEU 76 2HB LEU 76 -10.534 -11.802 -0.260 474 HG LEU 76 HG LEU 76 -9.687 -13.053 1.766 475 HD11 LEU 76 1HD1 LEU 76 -7.796 -14.319 0.875 476 HD12 LEU 76 2HD1 LEU 76 -7.087 -13.061 1.893 477 HD13 LEU 76 3HD1 LEU 76 -7.101 -12.850 0.148 478 HD21 LEU 76 3HD2 LEU 76 -9.716 -10.570 1.646 479 HD22 LEU 76 1HD2 LEU 76 -8.049 -10.584 1.015 480 HD23 LEU 76 2HD2 LEU 76 -8.413 -11.161 2.658 481 H GLU 77 H GLU 77 -11.586 -14.890 -2.567 482 HA GLU 77 HA GLU 77 -14.135 -14.568 -1.450 483 HB3 GLU 77 2HB GLU 77 -12.877 -16.720 -3.188 484 HG3 GLU 77 2HG GLU 77 -15.831 -15.993 -2.872 485 H GLY 78 H GLY 78 -14.812 -15.250 0.455 486 HA2 GLY 78 1HA GLY 78 -15.406 -16.712 2.159 487 HA3 GLY 78 2HA GLY 78 -14.370 -17.947 1.475 488 H LYS 79 H LYS 79 -12.398 -15.256 1.755 489 HA LYS 79 HA LYS 79 -11.388 -16.156 4.425 490 HB3 LYS 79 2HB LYS 79 -9.127 -15.640 3.442 491 HG3 LYS 79 2HG LYS 79 -10.957 -17.759 2.288 492 HD3 LYS 79 2HD LYS 79 -9.383 -16.854 0.411 493 HE3 LYS 79 2HE LYS 79 -7.401 -17.052 2.110 494 HZ1 LYS 79 3HZ LYS 79 -6.492 -19.135 2.365 495 HZ2 LYS 79 1HZ LYS 79 -7.224 -19.789 1.038 496 HZ3 LYS 79 2HZ LYS 79 -8.069 -19.584 2.393 497 H ALA 80 H ALA 80 -13.027 -13.613 3.191 498 HA ALA 80 HA ALA 80 -12.252 -11.960 5.395 499 HB1 ALA 80 1HB ALA 80 -11.865 -9.922 4.098 500 HB2 ALA 80 2HB ALA 80 -10.660 -11.119 3.719 501 HB3 ALA 80 3HB ALA 80 -11.978 -10.826 2.575 502 H ASP 81 H ASP 81 -13.798 -9.734 4.563 503 HA ASP 81 HA ASP 81 -16.459 -10.756 3.960 504 HB3 ASP 81 2HB ASP 81 -17.426 -9.903 5.922 505 H GLU 82 H GLU 82 -17.893 -8.915 3.448 506 HA GLU 82 HA GLU 82 -16.559 -6.934 1.914 507 HB3 GLU 82 2HB GLU 82 -18.978 -5.777 2.145 508 HG3 GLU 82 2HG GLU 82 -18.307 -8.369 0.719 509 H GLU 83 H GLU 83 -17.807 -6.653 5.268 510 HA GLU 83 HA GLU 83 -16.981 -3.885 5.407 511 HB3 GLU 83 2HB GLU 83 -18.809 -4.762 6.775 512 HG3 GLU 83 2HG GLU 83 -16.872 -6.638 7.877 513 H THR 84 H THR 84 -15.438 -6.988 6.339 514 HA THR 84 HA THR 84 -13.158 -5.923 7.575 515 HB THR 84 HB THR 84 -13.647 -8.488 6.015 516 HG1 THR 84 1HG THR 84 -14.311 -9.224 7.874 517 HG21 THR 84 3HG2 THR 84 -11.231 -8.203 6.091 518 HG22 THR 84 1HG2 THR 84 -11.712 -9.450 7.248 519 HG23 THR 84 2HG2 THR 84 -11.289 -7.825 7.829 520 H ILE 85 H ILE 85 -13.700 -6.667 4.089 521 HA ILE 85 HA ILE 85 -11.031 -6.019 3.271 522 HB ILE 85 HB ILE 85 -13.683 -6.012 1.720 523 HG13 ILE 85 2HG1 ILE 85 -12.770 -8.223 2.797 524 HG21 ILE 85 1HG2 ILE 85 -10.799 -5.809 0.748 525 HG22 ILE 85 2HG2 ILE 85 -12.151 -6.234 -0.317 526 HG23 ILE 85 3HG2 ILE 85 -12.126 -4.661 0.475 527 HD11 ILE 85 3HD1 ILE 85 -13.274 -8.136 -0.202 528 HD12 ILE 85 1HD1 ILE 85 -13.285 -9.575 0.821 529 HD13 ILE 85 2HD1 ILE 85 -14.491 -8.311 1.083 530 H ARG 86 H ARG 86 -14.104 -4.114 3.303 531 HA ARG 86 HA ARG 86 -12.818 -1.819 2.195 532 HB3 ARG 86 2HB ARG 86 -15.300 -2.356 2.201 533 HG3 ARG 86 2HG ARG 86 -15.197 -1.888 5.029 534 HD3 ARG 86 2HD ARG 86 -16.917 0.103 3.572 535 HE ARG 86 HE ARG 86 -16.667 -0.555 6.334 536 HH11 ARG 86 1HH1 ARG 86 -16.914 2.208 4.162 537 HH12 ARG 86 2HH1 ARG 86 -17.105 3.386 5.385 538 HH21 ARG 86 1HH2 ARG 86 -17.309 0.897 7.979 539 HH22 ARG 86 2HH2 ARG 86 -17.927 2.488 7.538 540 H ALA 87 H ALA 87 -13.344 -2.809 5.542 541 HA ALA 87 HA ALA 87 -12.252 -0.502 6.747 542 HB1 ALA 87 1HB ALA 87 -13.447 -2.221 8.075 543 HB2 ALA 87 2HB ALA 87 -12.159 -3.399 7.730 544 HB3 ALA 87 3HB ALA 87 -11.823 -1.973 8.722 545 H LYS 88 H LYS 88 -10.574 -3.586 5.922 546 HA LYS 88 HA LYS 88 -8.044 -2.836 6.783 547 HB3 LYS 88 2HB LYS 88 -7.410 -4.354 4.580 548 HG3 LYS 88 2HG LYS 88 -7.044 -4.754 7.120 549 HD3 LYS 88 2HD LYS 88 -9.231 -6.796 6.649 550 HE3 LYS 88 2HE LYS 88 -7.285 -6.744 8.521 551 HZ1 LYS 88 3HZ LYS 88 -8.211 -4.595 9.426 552 HZ2 LYS 88 1HZ LYS 88 -8.184 -5.818 10.544 553 HZ3 LYS 88 2HZ LYS 88 -9.585 -5.383 9.782 554 H MET 89 H MET 89 -9.238 -2.361 3.434 555 HA MET 89 HA MET 89 -6.746 -1.138 2.732 556 HB3 MET 89 2HB MET 89 -8.531 -2.227 1.206 557 HG3 MET 89 2HG MET 89 -9.245 0.666 0.919 558 HE1 MET 89 3HE MET 89 -11.689 -2.292 0.429 559 HE2 MET 89 1HE MET 89 -11.557 -2.630 -1.310 560 HE3 MET 89 2HE MET 89 -10.214 -3.045 -0.215 561 H VAL 90 H VAL 90 -9.616 0.269 4.220 562 HA VAL 90 HA VAL 90 -8.745 2.996 3.739 563 HB VAL 90 HB VAL 90 -10.902 1.881 5.552 564 HG11 VAL 90 1HG1 VAL 90 -10.400 4.761 4.665 565 HG12 VAL 90 2HG1 VAL 90 -11.773 4.182 5.640 566 HG13 VAL 90 3HG1 VAL 90 -10.143 4.145 6.305 567 HG21 VAL 90 3HG2 VAL 90 -11.224 1.613 3.010 568 HG22 VAL 90 1HG2 VAL 90 -12.449 2.555 3.840 569 HG23 VAL 90 2HG2 VAL 90 -11.169 3.362 2.883 570 H GLU 91 H GLU 91 -8.729 0.788 6.620 571 HA GLU 91 HA GLU 91 -8.082 2.767 8.422 572 HB3 GLU 91 2HB GLU 91 -9.081 0.570 8.989 573 HG3 GLU 91 2HG GLU 91 -6.241 -0.516 9.148 574 H LEU 92 H LEU 92 -5.913 0.932 6.467 575 HA LEU 92 HA LEU 92 -3.481 1.540 7.900 576 HB3 LEU 92 2HB LEU 92 -2.477 0.581 5.772 577 HG LEU 92 HG LEU 92 -4.547 -0.892 7.432 578 HD11 LEU 92 1HD1 LEU 92 -4.095 -2.970 6.401 579 HD12 LEU 92 2HD1 LEU 92 -2.915 -2.265 5.289 580 HD13 LEU 92 3HD1 LEU 92 -4.610 -1.872 5.128 581 HD21 LEU 92 3HD2 LEU 92 -1.536 -1.267 7.145 582 HD22 LEU 92 1HD2 LEU 92 -2.608 -2.116 8.260 583 HD23 LEU 92 2HD2 LEU 92 -2.335 -0.378 8.445 584 H ARG 93 H ARG 93 -5.406 3.645 6.147 585 HA ARG 93 HA ARG 93 -3.735 5.078 4.497 586 HB3 ARG 93 2HB ARG 93 -5.816 6.227 6.399 587 HG3 ARG 93 2HG ARG 93 -4.718 7.257 3.760 588 HD3 ARG 93 2HD ARG 93 -6.919 8.532 5.369 589 HE ARG 93 HE ARG 93 -6.045 8.769 2.510 590 HH11 ARG 93 1HH1 ARG 93 -7.653 10.399 5.244 591 HH12 ARG 93 2HH1 ARG 93 -8.452 11.545 4.219 592 HH21 ARG 93 1HH2 ARG 93 -6.961 10.309 1.237 593 HH22 ARG 93 2HH2 ARG 93 -7.974 11.555 1.874 594 H ALA 94 H ALA 94 -4.009 5.420 8.030 595 HA ALA 94 HA ALA 94 -2.106 7.473 8.420 596 HB1 ALA 94 1HB ALA 94 -1.893 6.539 10.717 597 HB2 ALA 94 2HB ALA 94 -3.584 6.725 10.212 598 HB3 ALA 94 3HB ALA 94 -2.832 5.118 10.210 599 H THR 95 H THR 95 -1.540 3.915 8.847 600 HA THR 95 HA THR 95 1.085 3.821 9.289 601 HB THR 95 HB THR 95 -0.515 1.869 7.568 602 HG1 THR 95 1HG THR 95 -0.450 1.627 10.340 603 HG21 THR 95 3HG2 THR 95 0.771 0.128 8.805 604 HG22 THR 95 1HG2 THR 95 1.765 1.407 9.535 605 HG23 THR 95 2HG2 THR 95 1.794 1.138 7.783 606 H ALA 96 H ALA 96 -0.400 4.097 6.050 607 HA ALA 96 HA ALA 96 1.717 3.487 4.399 608 HB1 ALA 96 1HB ALA 96 -0.293 5.732 4.009 609 HB2 ALA 96 2HB ALA 96 0.600 4.909 2.736 610 HB3 ALA 96 3HB ALA 96 -0.592 4.001 3.690 611 H ARG 97 H ARG 97 1.513 6.467 6.437 612 HA ARG 97 HA ARG 97 3.553 7.899 4.957 613 HB3 ARG 97 2HB ARG 97 2.128 8.174 7.641 614 HG3 ARG 97 2HG ARG 97 4.343 9.879 6.490 615 HD3 ARG 97 2HD ARG 97 2.302 11.136 7.534 616 HE ARG 97 HE ARG 97 3.269 9.530 9.760 617 HH11 ARG 97 1HH1 ARG 97 1.813 12.642 9.107 618 HH12 ARG 97 2HH1 ARG 97 1.113 12.815 10.663 619 HH21 ARG 97 1HH2 ARG 97 2.642 9.683 11.689 620 HH22 ARG 97 2HH2 ARG 97 1.822 11.059 12.392 621 H GLU 98 H GLU 98 3.403 6.195 8.266 622 HA GLU 98 HA GLU 98 6.026 6.487 8.841 623 HB3 GLU 98 2HB GLU 98 5.533 4.327 10.151 624 HG3 GLU 98 2HG GLU 98 5.545 6.666 11.044 625 H GLN 99 H GLN 99 4.487 3.946 6.838 626 HA GLN 99 HA GLN 99 6.519 2.118 6.703 627 HB3 GLN 99 2HB GLN 99 5.777 1.507 4.461 628 HG3 GLN 99 2HG GLN 99 3.148 2.188 5.562 629 HE21 GLN 99 1HE2 GLN 99 4.050 -0.733 6.773 630 HE22 GLN 99 2HE2 GLN 99 3.387 -1.728 5.507 631 H ILE 100 H ILE 100 6.409 5.121 4.731 632 HA ILE 100 HA ILE 100 8.732 4.499 3.145 633 HB ILE 100 HB ILE 100 7.455 7.126 3.956 634 HG13 ILE 100 2HG1 ILE 100 6.472 7.144 1.697 635 HG21 ILE 100 1HG2 ILE 100 9.579 6.641 1.827 636 HG22 ILE 100 2HG2 ILE 100 8.566 8.103 1.886 637 HG23 ILE 100 3HG2 ILE 100 9.648 7.724 3.235 638 HD11 ILE 100 3HD1 ILE 100 6.330 5.188 0.308 639 HD12 ILE 100 1HD1 ILE 100 8.027 5.605 0.505 640 HD13 ILE 100 2HD1 ILE 100 7.324 4.226 1.442 641 H ILE 101 H ILE 101 8.261 6.239 6.207 642 HA ILE 101 HA ILE 101 11.044 7.037 6.504 643 HB ILE 101 HB ILE 101 8.707 7.022 8.472 644 HG13 ILE 101 2HG1 ILE 101 8.452 8.492 6.291 645 HG21 ILE 101 1HG2 ILE 101 10.844 7.205 9.645 646 HG22 ILE 101 2HG2 ILE 101 11.384 8.482 8.558 647 HG23 ILE 101 3HG2 ILE 101 10.050 8.765 9.700 648 HD11 ILE 101 3HD1 ILE 101 7.448 10.335 7.471 649 HD12 ILE 101 1HD1 ILE 101 7.006 8.801 8.256 650 HD13 ILE 101 2HD1 ILE 101 8.233 9.872 8.994 651 H SER 102 H SER 102 9.259 4.161 6.922 652 HA SER 102 HA SER 102 11.228 3.027 8.798 653 HB3 SER 102 2HB SER 102 8.499 2.004 7.896 654 HG SER 102 HG SER 102 8.630 0.984 9.969 655 H GLU 103 H GLU 103 11.216 3.490 5.573 656 HA GLU 103 HA GLU 103 12.121 0.766 4.848 657 HB3 GLU 103 2HB GLU 103 11.639 1.730 2.431 658 HG3 GLU 103 2HG GLU 103 9.379 0.875 4.270 659 H ILE 104 H ILE 104 13.455 3.235 6.148 660 HA ILE 104 HA ILE 104 15.273 4.311 4.217 661 HB ILE 104 HB ILE 104 15.630 4.243 7.225 662 HG13 ILE 104 2HG1 ILE 104 13.399 5.221 6.631 663 HG21 ILE 104 1HG2 ILE 104 17.551 4.949 5.619 664 HG22 ILE 104 2HG2 ILE 104 16.533 6.354 5.217 665 HG23 ILE 104 3HG2 ILE 104 17.101 6.103 6.880 666 HD11 ILE 104 3HD1 ILE 104 14.660 6.214 8.562 667 HD12 ILE 104 1HD1 ILE 104 15.295 7.458 7.435 668 HD13 ILE 104 2HD1 ILE 104 13.550 7.339 7.743 Start of MODEL 5 1 H1 MET 1 H MET 1 14.328 6.462 -13.544 2 HA MET 1 HA MET 1 14.579 7.305 -15.867 3 HB3 MET 1 2HB MET 1 17.539 7.560 -15.253 4 HG3 MET 1 2HG MET 1 15.674 9.021 -17.162 5 HE1 MET 1 3HE MET 1 16.549 11.306 -16.212 6 HE2 MET 1 1HE MET 1 17.820 10.689 -15.129 7 HE3 MET 1 2HE MET 1 18.215 11.894 -16.368 8 H THR 2 H THR 2 16.804 5.917 -17.294 9 HA THR 2 HA THR 2 16.567 3.165 -16.457 10 HB THR 2 HB THR 2 18.853 3.335 -17.918 11 HG1 THR 2 1HG THR 2 18.755 4.925 -19.363 12 HG21 THR 2 3HG2 THR 2 16.129 3.519 -19.250 13 HG22 THR 2 1HG2 THR 2 16.755 2.049 -18.464 14 HG23 THR 2 2HG2 THR 2 17.598 2.729 -19.852 15 H THR 3 H THR 3 18.372 1.978 -15.580 16 HA THR 3 HA THR 3 20.060 1.530 -14.251 17 HB THR 3 HB THR 3 21.022 4.368 -14.847 18 HG1 THR 3 1HG THR 3 21.468 3.567 -16.774 19 HG21 THR 3 3HG2 THR 3 22.594 1.849 -14.245 20 HG22 THR 3 1HG2 THR 3 22.420 3.233 -13.120 21 HG23 THR 3 2HG2 THR 3 23.265 3.412 -14.661 22 H PHE 4 H PHE 4 21.050 1.912 -12.041 23 HA PHE 4 HA PHE 4 18.691 2.186 -10.447 24 HB3 PHE 4 2HB PHE 4 21.071 1.778 -8.829 25 HD1 PHE 4 2HD PHE 4 19.207 -0.724 -10.895 26 HD2 PHE 4 1HD PHE 4 19.510 1.229 -7.059 27 HE1 PHE 4 2HE PHE 4 17.283 -2.071 -10.044 28 HE2 PHE 4 1HE PHE 4 17.629 -0.128 -6.218 29 HZ PHE 4 HZ PHE 4 16.459 -1.731 -7.739 30 H ASP 5 H ASP 5 18.853 3.193 -8.138 31 HA ASP 5 HA ASP 5 19.323 6.037 -8.431 32 HB3 ASP 5 2HB ASP 5 17.407 5.404 -7.166 33 H ASP 6 H ASP 6 21.378 6.430 -8.756 34 HA ASP 6 HA ASP 6 23.653 5.251 -7.528 35 HB3 ASP 6 2HB ASP 6 23.125 7.885 -8.945 36 H ARG 7 H ARG 7 21.733 8.101 -6.709 37 HA ARG 7 HA ARG 7 23.325 8.628 -4.255 38 HB3 ARG 7 2HB ARG 7 21.508 10.574 -4.143 39 HG3 ARG 7 2HG ARG 7 22.862 11.887 -5.920 40 HD3 ARG 7 2HD ARG 7 24.123 10.490 -3.528 41 HE ARG 7 HE ARG 7 25.638 11.842 -5.372 42 HH11 ARG 7 1HH1 ARG 7 24.773 12.294 -1.967 43 HH12 ARG 7 2HH1 ARG 7 26.289 12.967 -1.500 44 HH21 ARG 7 1HH2 ARG 7 27.567 12.704 -4.857 45 HH22 ARG 7 2HH2 ARG 7 27.987 13.213 -3.231 46 H GLU 8 H GLU 8 22.670 7.949 -2.300 47 HA GLU 8 HA GLU 8 20.318 6.352 -1.990 48 HB3 GLU 8 2HB GLU 8 20.869 6.507 0.443 49 HG3 GLU 8 2HG GLU 8 23.354 5.906 -1.189 50 H ARG 9 H ARG 9 18.809 6.787 -0.265 51 HA ARG 9 HA ARG 9 17.333 9.304 -0.557 52 HB3 ARG 9 2HB ARG 9 15.732 8.166 0.952 53 HG3 ARG 9 2HG ARG 9 16.800 6.352 -1.267 54 HD3 ARG 9 2HD ARG 9 14.462 5.343 -1.113 55 HE ARG 9 HE ARG 9 16.145 4.617 1.242 56 HH11 ARG 9 1HH1 ARG 9 15.215 3.806 -2.154 57 HH12 ARG 9 2HH1 ARG 9 16.219 2.421 -2.178 58 HH21 ARG 9 1HH2 ARG 9 17.362 2.828 1.172 59 HH22 ARG 9 2HH2 ARG 9 17.371 1.763 -0.211 60 H ALA 10 H ALA 10 16.492 10.217 1.684 61 HA ALA 10 HA ALA 10 17.937 9.929 4.067 62 HB1 ALA 10 1HB ALA 10 18.642 12.485 2.544 63 HB2 ALA 10 2HB ALA 10 18.927 12.219 4.276 64 HB3 ALA 10 3HB ALA 10 19.773 11.222 3.094 65 H HIS 11 H HIS 11 15.614 9.693 4.549 66 HA HIS 11 HA HIS 11 13.782 11.897 4.277 67 HB3 HIS 11 2HB HIS 11 12.735 9.937 4.297 68 HD1 HIS 11 1HD HIS 11 12.139 7.446 5.281 69 HD2 HIS 11 2HD HIS 11 15.671 9.234 6.717 70 HE1 HIS 11 1HE HIS 11 13.609 5.560 6.138 71 H GLU 12 H GLU 12 16.369 11.856 6.374 72 HA GLU 12 HA GLU 12 15.205 12.569 8.866 73 HB3 GLU 12 2HB GLU 12 17.574 13.636 9.146 74 HG3 GLU 12 2HG GLU 12 17.121 10.686 8.506 75 H ALA 13 H ALA 13 14.125 14.298 9.397 76 HA ALA 13 HA ALA 13 13.025 16.155 9.453 77 HB1 ALA 13 1HB ALA 13 14.246 18.269 9.363 78 HB2 ALA 13 2HB ALA 13 15.167 17.030 10.238 79 HB3 ALA 13 3HB ALA 13 15.608 17.454 8.567 80 H LYS 14 H LYS 14 14.344 15.549 6.425 81 HA LYS 14 HA LYS 14 13.342 17.371 4.624 82 HB3 LYS 14 2HB LYS 14 12.981 15.114 3.210 83 HG3 LYS 14 2HG LYS 14 15.459 14.795 2.989 84 HD3 LYS 14 2HD LYS 14 14.876 17.724 2.756 85 HE3 LYS 14 2HE LYS 14 16.325 15.615 1.094 86 HZ1 LYS 14 3HZ LYS 14 16.174 18.490 0.453 87 HZ2 LYS 14 1HZ LYS 14 15.180 17.386 -0.226 88 HZ3 LYS 14 2HZ LYS 14 16.797 17.272 -0.464 89 H PHE 15 H PHE 15 11.382 15.013 6.376 90 HA PHE 15 HA PHE 15 9.207 14.886 4.585 91 HB3 PHE 15 2HB PHE 15 8.468 14.777 7.449 92 HD1 PHE 15 1HD PHE 15 9.594 12.545 4.599 93 HD2 PHE 15 2HD PHE 15 6.474 13.455 7.462 94 HE1 PHE 15 1HE PHE 15 8.223 10.694 3.713 95 HE2 PHE 15 2HE PHE 15 5.132 11.572 6.597 96 HZ PHE 15 HZ PHE 15 6.023 10.223 4.689 97 H ALA 16 H ALA 16 10.102 17.457 6.772 98 HA ALA 16 HA ALA 16 7.536 18.748 6.882 99 HB1 ALA 16 1HB ALA 16 10.381 19.801 7.264 100 HB2 ALA 16 2HB ALA 16 8.908 20.688 7.688 101 HB3 ALA 16 3HB ALA 16 9.299 19.188 8.537 102 H HIS 17 H HIS 17 9.506 18.249 4.160 103 HA HIS 17 HA HIS 17 8.905 20.821 2.857 104 HB3 HIS 17 2HB HIS 17 11.684 19.597 3.011 105 HD1 HIS 17 1HD HIS 17 12.369 20.864 0.739 106 HD2 HIS 17 2HD HIS 17 10.972 23.233 3.930 107 HE1 HIS 17 1HE HIS 17 13.056 23.289 0.210 108 H ASP 18 H ASP 18 10.270 20.453 0.598 109 HA ASP 18 HA ASP 18 10.432 19.400 -1.401 110 HB3 ASP 18 2HB ASP 18 11.207 16.998 -1.336 111 H ALA 19 H ALA 19 9.673 16.914 -2.371 112 HA ALA 19 HA ALA 19 6.936 16.321 -1.499 113 HB1 ALA 19 1HB ALA 19 6.633 17.932 -3.351 114 HB2 ALA 19 2HB ALA 19 7.565 16.863 -4.430 115 HB3 ALA 19 3HB ALA 19 6.027 16.324 -3.722 116 H GLU 20 H GLU 20 9.760 15.464 -3.587 117 HA GLU 20 HA GLU 20 8.940 12.975 -4.407 118 HB3 GLU 20 2HB GLU 20 11.796 13.699 -3.625 119 HG3 GLU 20 2HG GLU 20 10.677 11.896 -5.824 120 H LEU 21 H LEU 21 10.612 13.676 -1.335 121 HA LEU 21 HA LEU 21 10.553 10.934 -0.388 122 HB3 LEU 21 2HB LEU 21 11.088 12.081 1.851 123 HG LEU 21 HG LEU 21 12.836 12.755 -0.550 124 HD11 LEU 21 1HD1 LEU 21 13.382 14.290 1.183 125 HD12 LEU 21 2HD1 LEU 21 14.634 13.048 1.203 126 HD13 LEU 21 3HD1 LEU 21 13.359 13.003 2.427 127 HD21 LEU 21 3HD2 LEU 21 12.591 10.349 -0.125 128 HD22 LEU 21 1HD2 LEU 21 13.016 10.565 1.590 129 HD23 LEU 21 2HD2 LEU 21 14.217 10.870 0.310 130 H ASN 22 H ASN 22 8.361 13.662 -0.101 131 HA ASN 22 HA ASN 22 6.807 12.694 2.156 132 HB3 ASN 22 2HB ASN 22 6.006 14.684 -0.013 133 HD21 ASN 22 1HD2 ASN 22 6.149 16.291 2.841 134 HD22 ASN 22 2HD2 ASN 22 4.483 16.091 3.300 135 H PHE 23 H PHE 23 6.545 12.541 -1.353 136 HA PHE 23 HA PHE 23 4.075 11.825 -1.961 137 HB3 PHE 23 2HB PHE 23 6.189 10.174 -3.287 138 HD1 PHE 23 1HD PHE 23 3.256 10.010 -3.897 139 HD2 PHE 23 2HD PHE 23 6.228 12.808 -5.328 140 HE1 PHE 23 1HE PHE 23 1.899 10.442 -5.906 141 HE2 PHE 23 2HE PHE 23 4.865 13.212 -7.340 142 HZ PHE 23 HZ PHE 23 2.688 12.040 -7.639 143 H LYS 24 H LYS 24 6.361 9.516 -0.537 144 HA LYS 24 HA LYS 24 4.715 7.206 -0.943 145 HB3 LYS 24 2HB LYS 24 6.902 6.743 -0.517 146 HG3 LYS 24 2HG LYS 24 6.772 8.244 2.102 147 HD3 LYS 24 2HD LYS 24 8.333 5.920 1.589 148 HE3 LYS 24 2HE LYS 24 10.547 7.476 2.173 149 HZ1 LYS 24 3HZ LYS 24 9.868 6.420 -0.494 150 HZ2 LYS 24 1HZ LYS 24 10.635 5.612 0.710 151 HZ3 LYS 24 2HZ LYS 24 11.363 6.896 -0.004 152 H ALA 25 H ALA 25 4.905 9.428 1.840 153 HA ALA 25 HA ALA 25 2.768 8.014 3.244 154 HB1 ALA 25 1HB ALA 25 2.686 10.286 4.578 155 HB2 ALA 25 2HB ALA 25 4.137 9.317 4.728 156 HB3 ALA 25 3HB ALA 25 4.110 10.746 3.641 157 H GLU 26 H GLU 26 3.000 10.899 1.210 158 HA GLU 26 HA GLU 26 0.545 12.047 1.455 159 HB3 GLU 26 2HB GLU 26 2.025 11.522 -1.135 160 HG3 GLU 26 2HG GLU 26 0.768 14.148 -0.380 161 H ALA 27 H ALA 27 1.295 9.055 -0.250 162 HA ALA 27 HA ALA 27 -1.597 8.742 -1.003 163 HB1 ALA 27 1HB ALA 27 -0.780 7.172 -2.801 164 HB2 ALA 27 2HB ALA 27 -0.521 8.896 -3.075 165 HB3 ALA 27 3HB ALA 27 0.832 7.904 -2.578 166 H ARG 28 H ARG 28 1.063 6.399 -0.949 167 HA ARG 28 HA ARG 28 1.200 4.314 -0.260 168 HB3 ARG 28 2HB ARG 28 0.414 4.366 2.449 169 HG3 ARG 28 2HG ARG 28 2.980 5.282 2.542 170 HD3 ARG 28 2HD ARG 28 1.892 2.473 2.188 171 HE ARG 28 HE ARG 28 4.577 3.131 2.015 172 HH11 ARG 28 1HH1 ARG 28 2.731 1.226 4.453 173 HH12 ARG 28 2HH1 ARG 28 3.970 0.072 4.598 174 HH21 ARG 28 1HH2 ARG 28 6.311 1.567 2.535 175 HH22 ARG 28 2HH2 ARG 28 5.807 0.187 3.429 176 H ARG 29 H ARG 29 -1.953 5.427 -0.108 177 HA ARG 29 HA ARG 29 -3.479 4.041 1.397 178 HB3 ARG 29 2HB ARG 29 -5.323 4.049 -0.263 179 HG3 ARG 29 2HG ARG 29 -3.635 6.559 -0.600 180 HD3 ARG 29 2HD ARG 29 -5.913 7.594 -0.791 181 HE ARG 29 HE ARG 29 -4.907 5.819 -2.961 182 HH11 ARG 29 1HH1 ARG 29 -7.373 8.215 -2.234 183 HH12 ARG 29 2HH1 ARG 29 -7.108 9.155 -3.692 184 HH21 ARG 29 1HH2 ARG 29 -4.671 6.985 -5.009 185 HH22 ARG 29 2HH2 ARG 29 -5.723 8.333 -5.314 186 H ASN 30 H ASN 30 -2.456 2.507 -1.689 187 HA ASN 30 HA ASN 30 -3.706 -0.042 -0.746 188 HB3 ASN 30 2HB ASN 30 -2.506 0.179 -3.430 189 HD21 ASN 30 1HD2 ASN 30 -5.858 0.066 -2.064 190 HD22 ASN 30 2HD2 ASN 30 -6.200 -1.550 -2.687 191 H ARG 31 H ARG 31 -0.664 1.528 -1.359 192 HA ARG 31 HA ARG 31 1.009 -0.557 -2.071 193 HB3 ARG 31 2HB ARG 31 1.693 1.953 -0.450 194 HG3 ARG 31 2HG ARG 31 3.627 1.709 -2.340 195 HD3 ARG 31 2HD ARG 31 4.732 0.088 -0.350 196 HE ARG 31 HE ARG 31 4.639 3.032 -0.736 197 HH11 ARG 31 1HH1 ARG 31 6.714 0.183 0.072 198 HH12 ARG 31 2HH1 ARG 31 8.140 1.158 -0.058 199 HH21 ARG 31 1HH2 ARG 31 6.454 4.140 -0.887 200 HH22 ARG 31 2HH2 ARG 31 8.020 3.484 -0.456 201 H LEU 32 H LEU 32 -0.517 -0.356 0.947 202 HA LEU 32 HA LEU 32 1.590 -2.040 2.227 203 HB3 LEU 32 2HB LEU 32 1.380 0.273 3.060 204 HG LEU 32 HG LEU 32 -1.312 -0.757 4.119 205 HD11 LEU 32 1HD1 LEU 32 0.421 1.440 5.328 206 HD12 LEU 32 2HD1 LEU 32 -0.072 -0.094 6.094 207 HD13 LEU 32 3HD1 LEU 32 -1.286 1.131 5.745 208 HD21 LEU 32 3HD2 LEU 32 -1.502 0.703 2.163 209 HD22 LEU 32 1HD2 LEU 32 -0.370 1.875 2.894 210 HD23 LEU 32 2HD2 LEU 32 -1.978 1.641 3.563 211 H LEU 33 H LEU 33 -1.672 -1.931 1.175 212 HA LEU 33 HA LEU 33 -2.949 -3.833 2.762 213 HB3 LEU 33 2HB LEU 33 -3.229 -3.390 -0.237 214 HG LEU 33 HG LEU 33 -4.878 -4.875 0.939 215 HD11 LEU 33 1HD1 LEU 33 -6.672 -3.560 2.279 216 HD12 LEU 33 2HD1 LEU 33 -5.504 -2.245 2.338 217 HD13 LEU 33 3HD1 LEU 33 -5.127 -3.808 3.103 218 HD21 LEU 33 3HD2 LEU 33 -5.388 -3.605 -1.162 219 HD22 LEU 33 1HD2 LEU 33 -6.031 -2.277 -0.178 220 HD23 LEU 33 2HD2 LEU 33 -6.831 -3.866 -0.172 221 H GLY 34 H GLY 34 -0.378 -4.136 0.397 222 HA2 GLY 34 1HA GLY 34 -0.875 -6.862 -0.372 223 HA3 GLY 34 2HA GLY 34 0.636 -5.983 -0.582 224 H GLU 35 H GLU 35 1.146 -5.257 2.140 225 HA GLU 35 HA GLU 35 2.395 -7.623 3.120 226 HB3 GLU 35 2HB GLU 35 2.917 -6.354 5.116 227 HG3 GLU 35 2HG GLU 35 2.939 -4.390 2.801 228 H TRP 36 H TRP 36 -0.672 -6.059 3.958 229 HA TRP 36 HA TRP 36 -1.499 -7.759 6.076 230 HB3 TRP 36 2HB TRP 36 -3.022 -6.201 3.984 231 HD1 TRP 36 HD TRP 36 -4.082 -7.646 7.434 232 HE1 TRP 36 1HE TRP 36 -6.422 -8.687 7.196 233 HE3 TRP 36 3HE TRP 36 -4.794 -6.907 2.429 234 HZ2 TRP 36 2HZ TRP 36 -8.407 -9.006 5.129 235 HZ3 TRP 36 3HZ TRP 36 -6.906 -7.621 1.342 236 HH2 TRP 36 HH TRP 36 -8.743 -8.591 2.696 237 H ALA 37 H ALA 37 -2.391 -7.998 2.608 238 HA ALA 37 HA ALA 37 -3.663 -10.526 2.859 239 HB1 ALA 37 1HB ALA 37 -4.152 -8.915 1.071 240 HB2 ALA 37 2HB ALA 37 -2.516 -9.086 0.436 241 HB3 ALA 37 3HB ALA 37 -3.632 -10.464 0.359 242 H ALA 38 H ALA 38 -0.249 -9.770 2.154 243 HA ALA 38 HA ALA 38 0.560 -12.123 0.926 244 HB1 ALA 38 1HB ALA 38 2.062 -10.340 2.903 245 HB2 ALA 38 2HB ALA 38 2.813 -11.600 1.908 246 HB3 ALA 38 3HB ALA 38 2.042 -10.206 1.125 247 H GLY 39 H GLY 39 0.618 -11.431 4.446 248 HA2 GLY 39 1HA GLY 39 1.376 -14.062 5.249 249 HA3 GLY 39 2HA GLY 39 0.693 -12.805 6.281 250 H LEU 40 H LEU 40 -1.617 -13.128 3.913 251 HA LEU 40 HA LEU 40 -3.186 -15.166 5.403 252 HB3 LEU 40 2HB LEU 40 -5.077 -14.395 4.120 253 HG LEU 40 HG LEU 40 -3.605 -11.847 4.859 254 HD11 LEU 40 1HD1 LEU 40 -5.897 -10.990 5.236 255 HD12 LEU 40 2HD1 LEU 40 -6.566 -12.539 4.691 256 HD13 LEU 40 3HD1 LEU 40 -5.658 -11.509 3.565 257 HD21 LEU 40 3HD2 LEU 40 -5.225 -13.688 6.645 258 HD22 LEU 40 1HD2 LEU 40 -4.716 -12.042 7.081 259 HD23 LEU 40 2HD2 LEU 40 -3.501 -13.294 6.815 260 H LEU 41 H LEU 41 -1.726 -14.433 2.258 261 HA LEU 41 HA LEU 41 -2.763 -16.849 0.971 262 HB3 LEU 41 2HB LEU 41 -1.493 -15.744 -1.014 263 HG LEU 41 HG LEU 41 -3.709 -14.311 0.476 264 HD11 LEU 41 1HD1 LEU 41 -2.571 -13.658 -2.256 265 HD12 LEU 41 2HD1 LEU 41 -2.499 -12.616 -0.812 266 HD13 LEU 41 3HD1 LEU 41 -4.062 -12.973 -1.582 267 HD21 LEU 41 3HD2 LEU 41 -5.124 -15.220 -1.301 268 HD22 LEU 41 1HD2 LEU 41 -4.205 -16.550 -0.585 269 HD23 LEU 41 2HD2 LEU 41 -3.720 -15.873 -2.141 270 H GLY 42 H GLY 42 -0.362 -16.676 3.096 271 HA2 GLY 42 1HA GLY 42 1.402 -18.119 3.502 272 HA3 GLY 42 2HA GLY 42 1.086 -18.911 1.960 273 H LYS 43 H LYS 43 1.473 -15.504 1.543 274 HA LYS 43 HA LYS 43 4.017 -16.041 0.146 275 HB3 LYS 43 2HB LYS 43 3.836 -13.761 -0.652 276 HG3 LYS 43 2HG LYS 43 1.039 -14.951 -0.800 277 HD3 LYS 43 2HD LYS 43 2.686 -13.188 -2.678 278 HE3 LYS 43 2HE LYS 43 0.565 -13.346 -4.095 279 HZ1 LYS 43 3HZ LYS 43 1.215 -15.613 -4.965 280 HZ2 LYS 43 1HZ LYS 43 2.483 -15.553 -3.873 281 HZ3 LYS 43 2HZ LYS 43 2.301 -14.417 -5.019 282 H THR 44 H THR 44 5.877 -15.863 1.246 283 HA THR 44 HA THR 44 6.297 -13.464 2.813 284 HB THR 44 HB THR 44 7.555 -14.459 4.588 285 HG1 THR 44 1HG THR 44 6.871 -16.932 3.403 286 HG21 THR 44 3HG2 THR 44 4.779 -15.700 4.584 287 HG22 THR 44 1HG2 THR 44 5.149 -14.005 4.973 288 HG23 THR 44 2HG2 THR 44 5.776 -15.301 5.990 289 H GLY 45 H GLY 45 8.884 -13.379 3.165 290 HA2 GLY 45 1HA GLY 45 10.762 -12.933 2.030 291 HA3 GLY 45 2HA GLY 45 10.569 -14.500 1.211 292 H ASP 46 H ASP 46 11.154 -13.865 -0.846 293 HA ASP 46 HA ASP 46 10.704 -11.373 -2.057 294 HB3 ASP 46 2HB ASP 46 10.902 -13.953 -3.607 295 H ASP 47 H ASP 47 8.605 -14.202 -1.915 296 HA ASP 47 HA ASP 47 6.851 -13.598 -4.071 297 HB3 ASP 47 2HB ASP 47 5.778 -14.918 -1.684 298 H ALA 48 H ALA 48 6.903 -12.684 -0.696 299 HA ALA 48 HA ALA 48 4.278 -11.321 -0.730 300 HB1 ALA 48 1HB ALA 48 5.136 -12.240 1.386 301 HB2 ALA 48 2HB ALA 48 6.595 -11.227 1.295 302 HB3 ALA 48 3HB ALA 48 5.000 -10.492 1.499 303 H ARG 49 H ARG 49 7.782 -10.503 -0.932 304 HA ARG 49 HA ARG 49 7.244 -7.686 -0.699 305 HB3 ARG 49 2HB ARG 49 9.368 -9.109 -0.286 306 HG3 ARG 49 2HG ARG 49 9.984 -7.641 -2.839 307 HD3 ARG 49 2HD ARG 49 11.842 -9.323 -1.119 308 HE ARG 49 HE ARG 49 12.378 -6.909 -2.839 309 HH11 ARG 49 1HH1 ARG 49 13.282 -10.259 -1.986 310 HH12 ARG 49 2HH1 ARG 49 14.542 -10.361 -3.173 311 HH21 ARG 49 1HH2 ARG 49 13.994 -7.042 -4.407 312 HH22 ARG 49 2HH2 ARG 49 14.887 -8.515 -4.616 313 H ALA 50 H ALA 50 7.855 -9.782 -3.466 314 HA ALA 50 HA ALA 50 7.687 -7.761 -5.487 315 HB1 ALA 50 1HB ALA 50 7.006 -10.736 -5.672 316 HB2 ALA 50 2HB ALA 50 7.304 -9.621 -7.019 317 HB3 ALA 50 3HB ALA 50 8.621 -10.022 -5.896 318 H TYR 51 H TYR 51 5.140 -9.897 -4.048 319 HA TYR 51 HA TYR 51 2.996 -8.857 -5.548 320 HB3 TYR 51 2HB TYR 51 3.172 -9.996 -2.744 321 HD1 TYR 51 1HD TYR 51 0.656 -9.634 -5.539 322 HD2 TYR 51 2HD TYR 51 1.448 -9.380 -1.308 323 HE1 TYR 51 1HE TYR 51 -1.691 -9.044 -5.154 324 HE2 TYR 51 2HE TYR 51 -0.893 -8.927 -0.888 325 HH TYR 51 HH TYR 51 -3.218 -8.299 -3.602 326 H ALA 52 H ALA 52 4.382 -7.722 -2.437 327 HA ALA 52 HA ALA 52 2.727 -5.527 -2.015 328 HB1 ALA 52 1HB ALA 52 5.670 -5.792 -1.275 329 HB2 ALA 52 2HB ALA 52 4.522 -4.667 -0.559 330 HB3 ALA 52 3HB ALA 52 4.288 -6.415 -0.332 331 H LEU 53 H LEU 53 4.976 -5.901 -4.583 332 HA LEU 53 HA LEU 53 5.409 -3.006 -4.974 333 HB3 LEU 53 2HB LEU 53 7.113 -3.832 -6.648 334 HG LEU 53 HG LEU 53 7.360 -4.558 -3.703 335 HD11 LEU 53 1HD1 LEU 53 9.495 -4.713 -5.857 336 HD12 LEU 53 2HD1 LEU 53 8.859 -6.040 -4.851 337 HD13 LEU 53 3HD1 LEU 53 9.809 -4.754 -4.101 338 HD21 LEU 53 3HD2 LEU 53 7.232 -2.177 -4.085 339 HD22 LEU 53 1HD2 LEU 53 8.488 -2.282 -5.335 340 HD23 LEU 53 2HD2 LEU 53 8.881 -2.622 -3.641 341 H THR 54 H THR 54 3.079 -5.227 -5.941 342 HA THR 54 HA THR 54 2.600 -3.553 -8.367 343 HB THR 54 HB THR 54 3.457 -5.714 -8.970 344 HG1 THR 54 1HG THR 54 2.031 -4.735 -10.317 345 HG21 THR 54 3HG2 THR 54 1.058 -6.916 -7.545 346 HG22 THR 54 1HG2 THR 54 2.791 -7.134 -7.162 347 HG23 THR 54 2HG2 THR 54 2.140 -7.776 -8.668 348 H VAL 55 H VAL 55 1.339 -4.385 -5.294 349 HA VAL 55 HA VAL 55 -1.418 -4.051 -5.835 350 HB VAL 55 HB VAL 55 -1.508 -3.731 -3.338 351 HG11 VAL 55 1HG1 VAL 55 -1.873 -5.893 -4.399 352 HG12 VAL 55 2HG1 VAL 55 -0.137 -6.219 -4.440 353 HG13 VAL 55 3HG1 VAL 55 -0.981 -6.104 -2.891 354 HG21 VAL 55 3HG2 VAL 55 1.433 -4.490 -3.430 355 HG22 VAL 55 1HG2 VAL 55 0.836 -2.893 -2.956 356 HG23 VAL 55 2HG2 VAL 55 0.417 -4.301 -1.989 357 H VAL 56 H VAL 56 -1.453 -2.254 -7.179 358 HA VAL 56 HA VAL 56 -2.444 -0.315 -5.342 359 HB VAL 56 HB VAL 56 -0.235 0.733 -6.033 360 HG11 VAL 56 1HG1 VAL 56 -0.097 1.939 -8.087 361 HG12 VAL 56 2HG1 VAL 56 -0.540 0.265 -8.493 362 HG13 VAL 56 3HG1 VAL 56 -1.781 1.520 -8.514 363 HG21 VAL 56 3HG2 VAL 56 -2.071 1.947 -4.888 364 HG22 VAL 56 1HG2 VAL 56 -1.152 2.979 -5.981 365 HG23 VAL 56 2HG2 VAL 56 -2.761 2.386 -6.455 366 H THR 57 H THR 57 -4.393 0.294 -5.673 367 HA THR 57 HA THR 57 -5.370 0.839 -8.268 368 HB THR 57 HB THR 57 -5.854 -1.583 -8.118 369 HG1 THR 57 1HG THR 57 -7.198 -0.595 -9.330 370 HG21 THR 57 3HG2 THR 57 -7.614 -2.415 -6.621 371 HG22 THR 57 1HG2 THR 57 -7.564 -0.888 -5.705 372 HG23 THR 57 2HG2 THR 57 -6.136 -1.952 -5.756 373 H SER 58 H SER 58 -8.055 1.257 -7.319 374 HA SER 58 HA SER 58 -7.632 3.687 -5.759 375 HB3 SER 58 2HB SER 58 -10.404 2.794 -6.453 376 HG SER 58 HG SER 58 -10.521 4.874 -7.062 377 H ASP 59 H ASP 59 -10.130 3.826 -4.372 378 HA ASP 59 HA ASP 59 -10.570 1.444 -2.941 379 HB3 ASP 59 2HB ASP 59 -8.917 2.705 -1.396 380 H PHE 60 H PHE 60 -12.600 1.963 -1.450 381 HA PHE 60 HA PHE 60 -14.690 2.558 -3.325 382 HB3 PHE 60 2HB PHE 60 -16.105 2.171 -1.246 383 HD1 PHE 60 1HD PHE 60 -13.211 -0.112 -0.733 384 HD2 PHE 60 2HD PHE 60 -17.032 0.477 -2.605 385 HE1 PHE 60 1HE PHE 60 -13.424 -2.576 -1.077 386 HE2 PHE 60 2HE PHE 60 -17.244 -2.001 -2.935 387 HZ PHE 60 HZ PHE 60 -15.478 -3.509 -2.116 388 H ASP 61 H ASP 61 -14.624 3.835 -0.034 389 HA ASP 61 HA ASP 61 -15.064 5.792 0.919 390 HB3 ASP 61 2HB ASP 61 -14.768 7.377 -1.613 391 H GLU 62 H GLU 62 -17.003 4.363 -1.331 392 HA GLU 62 HA GLU 62 -19.357 5.762 -0.349 393 HB3 GLU 62 2HB GLU 62 -18.804 7.086 -2.273 394 HG3 GLU 62 2HG GLU 62 -18.943 4.603 -4.039 395 HA PRO 63 HA PRO 63 -20.719 1.683 -0.287 396 HB3 PRO 63 2HB PRO 63 -22.286 2.750 1.092 397 HG3 PRO 63 2HG PRO 63 -23.672 4.518 0.265 398 HD3 PRO 63 2HD PRO 63 -21.497 5.310 -0.005 399 H GLY 64 H GLY 64 -19.820 1.581 -2.710 400 HA2 GLY 64 1HA GLY 64 -21.616 -0.104 -4.253 401 HA3 GLY 64 2HA GLY 64 -21.345 1.509 -4.953 402 H ASP 65 H ASP 65 -20.169 0.837 -6.666 403 HA ASP 65 HA ASP 65 -18.563 0.242 -7.964 404 HB3 ASP 65 2HB ASP 65 -16.533 1.437 -6.076 405 H GLU 66 H GLU 66 -19.219 -2.019 -6.673 406 HA GLU 66 HA GLU 66 -16.998 -3.585 -5.810 407 HB3 GLU 66 2HB GLU 66 -18.569 -5.486 -6.608 408 HG3 GLU 66 2HG GLU 66 -19.549 -3.496 -4.544 409 H ASP 67 H ASP 67 -15.648 -2.403 -7.660 410 HA ASP 67 HA ASP 67 -14.932 -4.619 -9.493 411 HB3 ASP 67 2HB ASP 67 -14.865 -1.705 -10.388 412 H VAL 68 H VAL 68 -13.895 -1.561 -7.796 413 HA VAL 68 HA VAL 68 -11.156 -2.036 -8.196 414 HB VAL 68 HB VAL 68 -11.967 0.106 -7.527 415 HG11 VAL 68 1HG1 VAL 68 -12.548 0.729 -5.212 416 HG12 VAL 68 2HG1 VAL 68 -13.759 -0.306 -5.948 417 HG13 VAL 68 3HG1 VAL 68 -12.607 -0.978 -4.752 418 HG21 VAL 68 3HG2 VAL 68 -10.089 -1.026 -5.416 419 HG22 VAL 68 1HG2 VAL 68 -9.655 -0.464 -7.051 420 HG23 VAL 68 2HG2 VAL 68 -10.292 0.675 -5.855 421 H PHE 69 H PHE 69 -13.236 -3.179 -5.500 422 HA PHE 69 HA PHE 69 -11.235 -4.576 -4.042 423 HB3 PHE 69 2HB PHE 69 -13.665 -3.940 -3.434 424 HD1 PHE 69 2HD PHE 69 -14.798 -4.815 -5.822 425 HD2 PHE 69 1HD PHE 69 -13.811 -7.217 -2.464 426 HE1 PHE 69 2HE PHE 69 -16.438 -6.571 -6.627 427 HE2 PHE 69 1HE PHE 69 -15.398 -9.008 -3.235 428 HZ PHE 69 HZ PHE 69 -16.734 -8.646 -5.304 429 H ARG 70 H ARG 70 -12.639 -5.451 -7.111 430 HA ARG 70 HA ARG 70 -12.723 -8.225 -6.897 431 HB3 ARG 70 2HB ARG 70 -11.929 -6.491 -9.270 432 HG3 ARG 70 2HG ARG 70 -11.216 -8.783 -9.732 433 HD3 ARG 70 2HD ARG 70 -14.168 -9.363 -9.099 434 HE ARG 70 HE ARG 70 -12.747 -11.670 -9.900 435 HH11 ARG 70 1HH1 ARG 70 -14.395 -8.864 -11.386 436 HH12 ARG 70 2HH1 ARG 70 -15.314 -9.844 -12.439 437 HH21 ARG 70 1HH2 ARG 70 -13.688 -12.862 -11.489 438 HH22 ARG 70 2HH2 ARG 70 -14.670 -12.168 -12.719 439 H LYS 71 H LYS 71 -9.952 -6.120 -7.440 440 HA LYS 71 HA LYS 71 -8.194 -8.184 -8.377 441 HB3 LYS 71 2HB LYS 71 -6.413 -6.415 -7.795 442 HG3 LYS 71 2HG LYS 71 -7.272 -6.569 -10.053 443 HD3 LYS 71 2HD LYS 71 -9.516 -4.680 -9.226 444 HE3 LYS 71 2HE LYS 71 -8.226 -4.369 -11.487 445 HZ1 LYS 71 3HZ LYS 71 -8.434 -6.778 -12.077 446 HZ2 LYS 71 1HZ LYS 71 -8.974 -5.742 -13.211 447 HZ3 LYS 71 2HZ LYS 71 -10.074 -6.522 -12.295 448 H LEU 72 H LEU 72 -9.080 -7.111 -5.149 449 HA LEU 72 HA LEU 72 -7.056 -8.819 -3.830 450 HB3 LEU 72 2HB LEU 72 -8.766 -8.259 -1.844 451 HG LEU 72 HG LEU 72 -7.701 -6.119 -1.327 452 HD11 LEU 72 1HD1 LEU 72 -5.582 -8.084 -2.272 453 HD12 LEU 72 2HD1 LEU 72 -6.615 -8.370 -0.867 454 HD13 LEU 72 3HD1 LEU 72 -5.544 -6.973 -0.883 455 HD21 LEU 72 3HD2 LEU 72 -6.167 -6.423 -3.943 456 HD22 LEU 72 1HD2 LEU 72 -6.010 -5.134 -2.734 457 HD23 LEU 72 2HD2 LEU 72 -7.519 -5.302 -3.672 458 H ALA 73 H ALA 73 -10.617 -8.656 -4.319 459 HA ALA 73 HA ALA 73 -11.353 -10.890 -2.897 460 HB1 ALA 73 1HB ALA 73 -13.414 -10.789 -4.245 461 HB2 ALA 73 2HB ALA 73 -12.832 -9.152 -3.878 462 HB3 ALA 73 3HB ALA 73 -12.590 -9.856 -5.487 463 H ALA 74 H ALA 74 -10.389 -10.817 -6.332 464 HA ALA 74 HA ALA 74 -10.879 -13.585 -6.852 465 HB1 ALA 74 1HB ALA 74 -9.064 -11.550 -8.228 466 HB2 ALA 74 2HB ALA 74 -9.566 -13.104 -8.915 467 HB3 ALA 74 3HB ALA 74 -10.776 -11.841 -8.600 468 H ASP 75 H ASP 75 -8.346 -12.061 -5.071 469 HA ASP 75 HA ASP 75 -6.417 -14.245 -5.654 470 HB3 ASP 75 2HB ASP 75 -5.763 -11.806 -3.996 471 H LEU 76 H LEU 76 -7.834 -12.386 -2.971 472 HA LEU 76 HA LEU 76 -7.458 -14.480 -0.946 473 HB3 LEU 76 2HB LEU 76 -8.731 -12.769 0.456 474 HG LEU 76 HG LEU 76 -6.214 -11.768 -0.906 475 HD11 LEU 76 1HD1 LEU 76 -7.396 -10.805 1.717 476 HD12 LEU 76 2HD1 LEU 76 -7.716 -9.993 0.177 477 HD13 LEU 76 3HD1 LEU 76 -6.062 -10.116 0.800 478 HD21 LEU 76 3HD2 LEU 76 -6.675 -13.072 1.828 479 HD22 LEU 76 1HD2 LEU 76 -5.124 -12.486 1.188 480 HD23 LEU 76 2HD2 LEU 76 -5.932 -13.865 0.437 481 H GLU 77 H GLU 77 -8.874 -15.416 -3.109 482 HA GLU 77 HA GLU 77 -11.718 -15.327 -2.894 483 HB3 GLU 77 2HB GLU 77 -9.730 -17.306 -4.034 484 HG3 GLU 77 2HG GLU 77 -12.769 -17.250 -4.300 485 H GLY 78 H GLY 78 -12.799 -15.881 -1.127 486 HA2 GLY 78 1HA GLY 78 -13.619 -17.129 0.608 487 HA3 GLY 78 2HA GLY 78 -12.485 -18.418 0.219 488 H LYS 79 H LYS 79 -10.894 -15.421 0.615 489 HA LYS 79 HA LYS 79 -10.147 -16.039 3.442 490 HB3 LYS 79 2HB LYS 79 -7.815 -15.553 2.762 491 HG3 LYS 79 2HG LYS 79 -9.209 -17.784 1.190 492 HD3 LYS 79 2HD LYS 79 -7.123 -17.167 0.055 493 HE3 LYS 79 2HE LYS 79 -6.023 -16.395 2.284 494 HZ1 LYS 79 3HZ LYS 79 -6.233 -18.627 3.395 495 HZ2 LYS 79 1HZ LYS 79 -4.693 -18.040 3.333 496 HZ3 LYS 79 2HZ LYS 79 -5.139 -19.217 2.312 497 H ALA 80 H ALA 80 -11.237 -13.619 1.256 498 HA ALA 80 HA ALA 80 -11.492 -11.896 3.526 499 HB1 ALA 80 1HB ALA 80 -9.949 -10.836 1.123 500 HB2 ALA 80 2HB ALA 80 -10.606 -9.869 2.453 501 HB3 ALA 80 3HB ALA 80 -9.323 -11.046 2.791 502 H ASP 81 H ASP 81 -13.581 -11.629 3.377 503 HA ASP 81 HA ASP 81 -15.175 -11.891 1.071 504 HB3 ASP 81 2HB ASP 81 -17.009 -11.281 2.472 505 H GLU 82 H GLU 82 -16.723 -10.189 0.321 506 HA GLU 82 HA GLU 82 -15.821 -7.755 -0.682 507 HB3 GLU 82 2HB GLU 82 -18.382 -7.224 -0.501 508 HG3 GLU 82 2HG GLU 82 -17.152 -9.581 -1.888 509 H GLU 83 H GLU 83 -17.615 -8.265 2.416 510 HA GLU 83 HA GLU 83 -17.346 -5.537 3.197 511 HB3 GLU 83 2HB GLU 83 -19.197 -6.793 4.039 512 HG3 GLU 83 2HG GLU 83 -17.304 -8.394 5.808 513 H THR 84 H THR 84 -15.274 -8.289 3.593 514 HA THR 84 HA THR 84 -13.683 -7.244 5.802 515 HB THR 84 HB THR 84 -13.287 -9.399 3.726 516 HG1 THR 84 1HG THR 84 -14.799 -9.856 5.393 517 HG21 THR 84 3HG2 THR 84 -11.365 -10.208 5.124 518 HG22 THR 84 1HG2 THR 84 -11.502 -8.740 6.108 519 HG23 THR 84 2HG2 THR 84 -11.031 -8.626 4.405 520 H ILE 85 H ILE 85 -13.214 -7.396 2.174 521 HA ILE 85 HA ILE 85 -10.786 -5.900 2.233 522 HB ILE 85 HB ILE 85 -12.846 -6.295 0.028 523 HG13 ILE 85 2HG1 ILE 85 -11.386 -8.273 1.063 524 HG21 ILE 85 1HG2 ILE 85 -10.071 -5.035 -0.113 525 HG22 ILE 85 2HG2 ILE 85 -10.924 -5.650 -1.534 526 HG23 ILE 85 3HG2 ILE 85 -11.618 -4.316 -0.600 527 HD11 ILE 85 3HD1 ILE 85 -11.085 -9.350 -1.104 528 HD12 ILE 85 1HD1 ILE 85 -12.687 -8.611 -0.950 529 HD13 ILE 85 2HD1 ILE 85 -11.436 -7.821 -1.938 530 H ARG 86 H ARG 86 -14.185 -4.855 1.574 531 HA ARG 86 HA ARG 86 -13.451 -2.151 1.191 532 HB3 ARG 86 2HB ARG 86 -15.648 -3.405 0.581 533 HG3 ARG 86 2HG ARG 86 -16.092 -3.568 3.285 534 HD3 ARG 86 2HD ARG 86 -17.795 -1.258 2.325 535 HE ARG 86 HE ARG 86 -17.436 -2.123 5.159 536 HH11 ARG 86 1HH1 ARG 86 -19.687 -1.910 2.402 537 HH12 ARG 86 2HH1 ARG 86 -20.937 -2.790 3.176 538 HH21 ARG 86 1HH2 ARG 86 -19.139 -3.121 6.262 539 HH22 ARG 86 2HH2 ARG 86 -20.696 -3.296 5.499 540 H ALA 87 H ALA 87 -13.865 -3.935 4.185 541 HA ALA 87 HA ALA 87 -14.027 -1.475 5.713 542 HB1 ALA 87 1HB ALA 87 -15.093 -3.473 6.651 543 HB2 ALA 87 2HB ALA 87 -13.565 -4.374 6.583 544 HB3 ALA 87 3HB ALA 87 -13.736 -3.003 7.697 545 H LYS 88 H LYS 88 -11.602 -4.111 5.230 546 HA LYS 88 HA LYS 88 -9.586 -3.185 6.781 547 HB3 LYS 88 2HB LYS 88 -9.491 -4.724 4.152 548 HG3 LYS 88 2HG LYS 88 -7.226 -3.997 4.579 549 HD3 LYS 88 2HD LYS 88 -7.336 -3.513 7.048 550 HE3 LYS 88 2HE LYS 88 -6.489 -5.763 8.270 551 HZ1 LYS 88 3HZ LYS 88 -9.392 -5.191 8.064 552 HZ2 LYS 88 1HZ LYS 88 -8.347 -4.404 9.078 553 HZ3 LYS 88 2HZ LYS 88 -8.588 -5.997 9.245 554 H MET 89 H MET 89 -9.780 -2.612 3.239 555 HA MET 89 HA MET 89 -7.385 -1.087 3.227 556 HB3 MET 89 2HB MET 89 -8.617 -2.147 1.277 557 HG3 MET 89 2HG MET 89 -9.711 0.561 0.708 558 HE1 MET 89 3HE MET 89 -9.059 -0.175 -1.799 559 HE2 MET 89 1HE MET 89 -8.492 -1.782 -1.269 560 HE3 MET 89 2HE MET 89 -9.690 -1.648 -2.580 561 H VAL 90 H VAL 90 -10.609 -0.107 4.141 562 HA VAL 90 HA VAL 90 -10.007 2.747 4.149 563 HB VAL 90 HB VAL 90 -12.455 1.151 5.021 564 HG11 VAL 90 1HG1 VAL 90 -12.678 3.204 6.074 565 HG12 VAL 90 2HG1 VAL 90 -11.981 4.119 4.712 566 HG13 VAL 90 3HG1 VAL 90 -13.599 3.410 4.580 567 HG21 VAL 90 3HG2 VAL 90 -11.725 2.417 2.358 568 HG22 VAL 90 1HG2 VAL 90 -12.170 0.733 2.713 569 HG23 VAL 90 2HG2 VAL 90 -13.384 1.981 2.812 570 H GLU 91 H GLU 91 -9.990 0.093 6.465 571 HA GLU 91 HA GLU 91 -10.041 1.470 8.969 572 HB3 GLU 91 2HB GLU 91 -8.823 -1.107 7.974 573 HG3 GLU 91 2HG GLU 91 -8.922 -0.759 10.915 574 H LEU 92 H LEU 92 -7.357 0.382 6.947 575 HA LEU 92 HA LEU 92 -5.367 1.786 8.472 576 HB3 LEU 92 2HB LEU 92 -5.070 -0.423 7.642 577 HG LEU 92 HG LEU 92 -6.247 0.229 5.265 578 HD11 LEU 92 1HD1 LEU 92 -4.499 0.100 3.491 579 HD12 LEU 92 2HD1 LEU 92 -3.273 0.222 4.774 580 HD13 LEU 92 3HD1 LEU 92 -4.361 1.588 4.460 581 HD21 LEU 92 3HD2 LEU 92 -4.142 -1.930 5.238 582 HD22 LEU 92 1HD2 LEU 92 -5.763 -1.915 4.532 583 HD23 LEU 92 2HD2 LEU 92 -5.576 -2.074 6.276 584 H ARG 93 H ARG 93 -7.443 3.319 6.602 585 HA ARG 93 HA ARG 93 -5.987 4.620 4.571 586 HB3 ARG 93 2HB ARG 93 -8.293 5.603 6.304 587 HG3 ARG 93 2HG ARG 93 -7.206 7.552 5.248 588 HD3 ARG 93 2HD ARG 93 -8.053 6.538 2.518 589 HE ARG 93 HE ARG 93 -5.716 8.205 2.809 590 HH11 ARG 93 1HH1 ARG 93 -9.245 8.362 2.498 591 HH12 ARG 93 2HH1 ARG 93 -9.360 10.064 2.462 592 HH21 ARG 93 1HH2 ARG 93 -5.798 10.546 2.663 593 HH22 ARG 93 2HH2 ARG 93 -7.356 11.310 2.713 594 H ALA 94 H ALA 94 -6.395 5.688 8.006 595 HA ALA 94 HA ALA 94 -4.550 7.874 7.793 596 HB1 ALA 94 1HB ALA 94 -5.365 6.219 10.231 597 HB2 ALA 94 2HB ALA 94 -4.588 7.817 10.235 598 HB3 ALA 94 3HB ALA 94 -6.226 7.644 9.605 599 H THR 95 H THR 95 -4.139 4.440 8.872 600 HA THR 95 HA THR 95 -1.561 4.446 9.715 601 HB THR 95 HB THR 95 -2.989 2.269 8.145 602 HG1 THR 95 1HG THR 95 -3.066 3.010 10.889 603 HG21 THR 95 3HG2 THR 95 -0.746 1.536 8.595 604 HG22 THR 95 1HG2 THR 95 -1.828 0.723 9.726 605 HG23 THR 95 2HG2 THR 95 -0.830 2.087 10.283 606 H ALA 96 H ALA 96 -2.677 4.330 6.349 607 HA ALA 96 HA ALA 96 -0.410 3.680 4.968 608 HB1 ALA 96 1HB ALA 96 -2.691 4.175 4.025 609 HB2 ALA 96 2HB ALA 96 -2.392 5.905 4.311 610 HB3 ALA 96 3HB ALA 96 -1.444 5.051 3.121 611 H ARG 97 H ARG 97 -1.006 6.987 6.347 612 HA ARG 97 HA ARG 97 1.639 7.825 5.291 613 HB3 ARG 97 2HB ARG 97 0.159 9.629 5.247 614 HG3 ARG 97 2HG ARG 97 -0.562 9.146 8.170 615 HD3 ARG 97 2HD ARG 97 -2.041 11.208 7.633 616 HE ARG 97 HE ARG 97 0.518 11.102 8.771 617 HH11 ARG 97 1HH1 ARG 97 -1.880 13.404 7.595 618 HH12 ARG 97 2HH1 ARG 97 -1.227 14.752 8.476 619 HH21 ARG 97 1HH2 ARG 97 1.494 12.912 9.843 620 HH22 ARG 97 2HH2 ARG 97 0.796 14.474 9.741 621 H GLU 98 H GLU 98 0.154 6.931 8.430 622 HA GLU 98 HA GLU 98 2.274 7.678 10.079 623 HB3 GLU 98 2HB GLU 98 1.129 5.585 11.395 624 HG3 GLU 98 2HG GLU 98 -0.928 7.473 11.457 625 H GLN 99 H GLN 99 1.876 4.654 8.162 626 HA GLN 99 HA GLN 99 3.944 3.193 9.415 627 HB3 GLN 99 2HB GLN 99 4.088 1.959 7.283 628 HG3 GLN 99 2HG GLN 99 1.181 2.186 7.495 629 HE21 GLN 99 1HE2 GLN 99 1.795 -0.121 9.655 630 HE22 GLN 99 2HE2 GLN 99 2.050 -1.464 8.581 631 H ILE 100 H ILE 100 4.201 5.924 7.259 632 HA ILE 100 HA ILE 100 7.038 5.497 6.629 633 HB ILE 100 HB ILE 100 5.347 7.955 6.358 634 HG13 ILE 100 2HG1 ILE 100 4.989 7.330 3.953 635 HG21 ILE 100 1HG2 ILE 100 7.617 8.529 6.029 636 HG22 ILE 100 2HG2 ILE 100 7.956 7.042 5.126 637 HG23 ILE 100 3HG2 ILE 100 7.015 8.329 4.379 638 HD11 ILE 100 3HD1 ILE 100 5.144 5.148 3.129 639 HD12 ILE 100 1HD1 ILE 100 6.753 5.534 3.751 640 HD13 ILE 100 2HD1 ILE 100 5.668 4.481 4.695 641 H ILE 101 H ILE 101 4.998 7.404 8.847 642 HA ILE 101 HA ILE 101 7.018 9.035 10.029 643 HB ILE 101 HB ILE 101 4.458 8.027 11.275 644 HG13 ILE 101 2HG1 ILE 101 3.638 10.289 10.472 645 HG21 ILE 101 1HG2 ILE 101 6.293 10.352 11.921 646 HG22 ILE 101 2HG2 ILE 101 4.648 10.165 12.565 647 HG23 ILE 101 3HG2 ILE 101 5.884 8.976 12.960 648 HD11 ILE 101 3HD1 ILE 101 5.766 10.190 8.405 649 HD12 ILE 101 1HD1 ILE 101 4.435 11.354 8.637 650 HD13 ILE 101 2HD1 ILE 101 5.778 11.310 9.804 651 H SER 102 H SER 102 6.119 5.705 10.282 652 HA SER 102 HA SER 102 7.332 5.062 12.810 653 HB3 SER 102 2HB SER 102 6.941 2.887 10.905 654 HG SER 102 HG SER 102 6.449 2.375 12.922 655 H GLU 103 H GLU 103 8.786 5.702 9.631 656 HA GLU 103 HA GLU 103 11.265 4.383 10.453 657 HB3 GLU 103 2HB GLU 103 11.571 3.364 8.326 658 HG3 GLU 103 2HG GLU 103 8.880 2.411 9.392 659 H ILE 104 H ILE 104 11.070 6.798 10.929 660 HA ILE 104 HA ILE 104 12.048 8.427 8.692 661 HB ILE 104 HB ILE 104 11.584 8.994 11.662 662 HG13 ILE 104 2HG1 ILE 104 9.553 8.830 10.119 663 HG21 ILE 104 1HG2 ILE 104 12.780 10.762 9.488 664 HG22 ILE 104 2HG2 ILE 104 12.117 11.403 11.026 665 HG23 ILE 104 3HG2 ILE 104 13.489 10.311 11.039 666 HD11 ILE 104 3HD1 ILE 104 8.422 10.797 10.846 667 HD12 ILE 104 1HD1 ILE 104 9.474 10.247 12.170 668 HD13 ILE 104 2HD1 ILE 104 9.934 11.654 11.171 Start of MODEL 6 1 H1 MET 1 H MET 1 7.992 15.415 -10.910 2 HA MET 1 HA MET 1 6.322 13.617 -12.559 3 HB3 MET 1 2HB MET 1 5.042 15.595 -11.948 4 HG3 MET 1 2HG MET 1 6.829 17.367 -13.611 5 HE1 MET 1 3HE MET 1 7.119 19.647 -11.339 6 HE2 MET 1 1HE MET 1 5.628 20.076 -10.473 7 HE3 MET 1 2HE MET 1 6.450 18.547 -10.118 8 H THR 2 H THR 2 8.863 12.984 -12.577 9 HA THR 2 HA THR 2 10.411 14.400 -14.667 10 HB THR 2 HB THR 2 12.145 14.509 -12.678 11 HG1 THR 2 1HG THR 2 11.285 14.566 -10.687 12 HG21 THR 2 3HG2 THR 2 9.783 16.443 -12.733 13 HG22 THR 2 1HG2 THR 2 11.250 16.535 -13.715 14 HG23 THR 2 2HG2 THR 2 11.350 16.737 -11.960 15 H THR 3 H THR 3 10.610 12.059 -11.946 16 HA THR 3 HA THR 3 11.286 9.943 -11.777 17 HB THR 3 HB THR 3 10.805 9.410 -14.686 18 HG1 THR 3 1HG THR 3 8.961 10.458 -12.866 19 HG21 THR 3 3HG2 THR 3 9.831 8.021 -12.136 20 HG22 THR 3 1HG2 THR 3 11.226 7.515 -13.098 21 HG23 THR 3 2HG2 THR 3 9.626 7.436 -13.806 22 H PHE 4 H PHE 4 13.413 11.994 -12.862 23 HA PHE 4 HA PHE 4 15.410 10.032 -13.750 24 HB3 PHE 4 2HB PHE 4 16.955 12.059 -13.600 25 HD1 PHE 4 1HD PHE 4 17.468 10.805 -15.642 26 HD2 PHE 4 2HD PHE 4 13.840 13.118 -15.313 27 HE1 PHE 4 1HE PHE 4 16.994 10.405 -18.023 28 HE2 PHE 4 2HE PHE 4 13.337 12.688 -17.653 29 HZ PHE 4 HZ PHE 4 14.934 11.312 -19.072 30 H ASP 5 H ASP 5 15.130 8.696 -11.979 31 HA ASP 5 HA ASP 5 15.431 7.774 -9.991 32 HB3 ASP 5 2HB ASP 5 17.574 8.043 -8.899 33 H ASP 6 H ASP 6 16.293 8.484 -7.551 34 HA ASP 6 HA ASP 6 16.203 10.977 -6.604 35 HB3 ASP 6 2HB ASP 6 13.839 11.224 -6.841 36 H ARG 7 H ARG 7 15.383 10.225 -3.831 37 HA ARG 7 HA ARG 7 17.839 8.614 -3.275 38 HB3 ARG 7 2HB ARG 7 17.901 10.184 -1.214 39 HG3 ARG 7 2HG ARG 7 18.283 11.204 -4.058 40 HD3 ARG 7 2HD ARG 7 19.882 12.798 -2.772 41 HE ARG 7 HE ARG 7 17.215 13.245 -3.692 42 HH11 ARG 7 1HH1 ARG 7 19.771 14.799 -1.741 43 HH12 ARG 7 2HH1 ARG 7 19.410 16.386 -2.393 44 HH21 ARG 7 1HH2 ARG 7 16.756 15.311 -4.426 45 HH22 ARG 7 2HH2 ARG 7 17.727 16.685 -3.912 46 H GLU 8 H GLU 8 17.647 8.135 -0.608 47 HA GLU 8 HA GLU 8 14.936 7.048 -0.112 48 HB3 GLU 8 2HB GLU 8 17.535 5.468 0.109 49 HG3 GLU 8 2HG GLU 8 14.653 4.771 0.792 50 H ARG 9 H ARG 9 18.165 7.154 1.426 51 HA ARG 9 HA ARG 9 16.852 6.972 3.993 52 HB3 ARG 9 2HB ARG 9 19.236 6.852 4.834 53 HG3 ARG 9 2HG ARG 9 18.193 5.116 2.586 54 HD3 ARG 9 2HD ARG 9 20.608 5.300 2.164 55 HE ARG 9 HE ARG 9 20.795 4.309 4.955 56 HH11 ARG 9 1HH1 ARG 9 22.534 4.977 1.935 57 HH12 ARG 9 2HH1 ARG 9 24.107 4.909 2.648 58 HH21 ARG 9 1HH2 ARG 9 22.765 4.377 5.928 59 HH22 ARG 9 2HH2 ARG 9 24.246 4.725 5.094 60 H ALA 10 H ALA 10 18.280 9.517 2.204 61 HA ALA 10 HA ALA 10 18.883 11.263 4.418 62 HB1 ALA 10 1HB ALA 10 18.853 11.852 1.439 63 HB2 ALA 10 2HB ALA 10 19.655 12.803 2.720 64 HB3 ALA 10 3HB ALA 10 20.219 11.170 2.360 65 H HIS 11 H HIS 11 16.108 10.546 4.349 66 HA HIS 11 HA HIS 11 14.599 12.902 3.565 67 HB3 HIS 11 2HB HIS 11 13.603 10.636 3.672 68 HD1 HIS 11 1HD HIS 11 11.505 9.829 5.844 69 HD2 HIS 11 2HD HIS 11 15.607 10.506 6.599 70 HE1 HIS 11 1HE HIS 11 11.993 8.818 8.116 71 H GLU 12 H GLU 12 16.947 13.035 5.641 72 HA GLU 12 HA GLU 12 16.092 13.990 8.125 73 HB3 GLU 12 2HB GLU 12 18.230 15.286 8.053 74 HG3 GLU 12 2HG GLU 12 18.652 12.460 7.017 75 H ALA 13 H ALA 13 14.554 15.499 8.403 76 HA ALA 13 HA ALA 13 13.174 17.187 8.146 77 HB1 ALA 13 1HB ALA 13 15.680 18.766 7.592 78 HB2 ALA 13 2HB ALA 13 14.135 19.388 8.207 79 HB3 ALA 13 3HB ALA 13 15.087 18.267 9.196 80 H LYS 14 H LYS 14 13.420 15.622 5.702 81 HA LYS 14 HA LYS 14 12.552 17.707 3.728 82 HB3 LYS 14 2HB LYS 14 12.959 15.657 2.098 83 HG3 LYS 14 2HG LYS 14 15.448 17.033 3.171 84 HD3 LYS 14 2HD LYS 14 14.386 16.237 0.440 85 HE3 LYS 14 2HE LYS 14 16.911 17.860 0.710 86 HZ1 LYS 14 3HZ LYS 14 14.813 17.657 -1.396 87 HZ2 LYS 14 1HZ LYS 14 16.291 16.960 -1.491 88 HZ3 LYS 14 2HZ LYS 14 16.124 18.609 -1.508 89 H PHE 15 H PHE 15 11.320 15.306 5.801 90 HA PHE 15 HA PHE 15 9.552 14.032 3.970 91 HB3 PHE 15 2HB PHE 15 8.718 13.995 6.764 92 HD1 PHE 15 2HD PHE 15 10.550 12.082 4.002 93 HD2 PHE 15 1HD PHE 15 7.630 11.986 7.213 94 HE1 PHE 15 2HE PHE 15 10.052 9.700 3.517 95 HE2 PHE 15 1HE PHE 15 7.159 9.608 6.707 96 HZ PHE 15 HZ PHE 15 8.366 8.465 4.885 97 H ALA 16 H ALA 16 9.267 17.102 5.581 98 HA ALA 16 HA ALA 16 6.769 17.466 3.998 99 HB1 ALA 16 1HB ALA 16 7.390 18.803 6.662 100 HB2 ALA 16 2HB ALA 16 6.025 19.143 5.593 101 HB3 ALA 16 3HB ALA 16 6.148 17.551 6.386 102 H HIS 17 H HIS 17 8.508 17.750 2.409 103 HA HIS 17 HA HIS 17 8.890 20.518 1.956 104 HB3 HIS 17 2HB HIS 17 11.596 19.175 1.972 105 HD1 HIS 17 1HD HIS 17 12.697 21.156 0.574 106 HD2 HIS 17 2HD HIS 17 10.087 22.336 3.659 107 HE1 HIS 17 1HE HIS 17 12.950 23.684 0.785 108 H ASP 18 H ASP 18 10.071 17.215 1.135 109 HA ASP 18 HA ASP 18 10.404 18.055 -1.696 110 HB3 ASP 18 2HB ASP 18 11.421 15.563 -1.652 111 H ALA 19 H ALA 19 9.856 16.609 -3.429 112 HA ALA 19 HA ALA 19 7.433 14.945 -2.974 113 HB1 ALA 19 1HB ALA 19 7.309 16.604 -4.841 114 HB2 ALA 19 2HB ALA 19 8.758 15.873 -5.569 115 HB3 ALA 19 3HB ALA 19 7.261 14.924 -5.424 116 H GLU 20 H GLU 20 10.837 15.002 -4.092 117 HA GLU 20 HA GLU 20 11.198 12.525 -5.241 118 HB3 GLU 20 2HB GLU 20 13.512 12.678 -3.885 119 HG3 GLU 20 2HG GLU 20 12.797 14.985 -5.718 120 H LEU 21 H LEU 21 11.721 13.097 -1.781 121 HA LEU 21 HA LEU 21 11.896 10.229 -1.154 122 HB3 LEU 21 2HB LEU 21 12.213 11.326 1.184 123 HG LEU 21 HG LEU 21 14.038 12.056 -1.140 124 HD11 LEU 21 1HD1 LEU 21 15.584 12.962 0.708 125 HD12 LEU 21 2HD1 LEU 21 14.070 13.109 1.653 126 HD13 LEU 21 3HD1 LEU 21 14.245 13.961 0.120 127 HD21 LEU 21 3HD2 LEU 21 14.150 9.731 -0.244 128 HD22 LEU 21 1HD2 LEU 21 14.418 10.366 1.391 129 HD23 LEU 21 2HD2 LEU 21 15.635 10.614 0.127 130 H ASN 22 H ASN 22 9.480 12.815 -0.819 131 HA ASN 22 HA ASN 22 7.794 11.376 0.976 132 HB3 ASN 22 2HB ASN 22 6.913 13.428 -1.051 133 HD21 ASN 22 1HD2 ASN 22 5.270 14.826 -0.185 134 HD22 ASN 22 2HD2 ASN 22 4.156 14.249 1.053 135 H PHE 23 H PHE 23 8.295 11.178 -2.516 136 HA PHE 23 HA PHE 23 5.941 10.503 -3.548 137 HB3 PHE 23 2HB PHE 23 8.314 8.760 -4.227 138 HD1 PHE 23 1HD PHE 23 5.583 7.878 -5.117 139 HD2 PHE 23 2HD PHE 23 8.210 10.883 -6.802 140 HE1 PHE 23 1HE PHE 23 4.528 7.583 -7.288 141 HE2 PHE 23 2HE PHE 23 7.103 10.588 -8.994 142 HZ PHE 23 HZ PHE 23 5.265 8.929 -9.248 143 H LYS 24 H LYS 24 8.034 7.923 -2.126 144 HA LYS 24 HA LYS 24 6.066 5.867 -2.109 145 HB3 LYS 24 2HB LYS 24 8.202 5.095 -1.783 146 HG3 LYS 24 2HG LYS 24 8.620 7.090 0.489 147 HD3 LYS 24 2HD LYS 24 10.193 4.622 -0.364 148 HE3 LYS 24 2HE LYS 24 11.681 5.552 1.617 149 HZ1 LYS 24 3HZ LYS 24 11.935 6.570 -1.164 150 HZ2 LYS 24 1HZ LYS 24 12.509 5.180 -0.557 151 HZ3 LYS 24 2HZ LYS 24 13.108 6.612 -0.019 152 H ALA 25 H ALA 25 6.870 8.213 0.444 153 HA ALA 25 HA ALA 25 4.926 7.235 2.300 154 HB1 ALA 25 1HB ALA 25 6.907 8.491 3.011 155 HB2 ALA 25 2HB ALA 25 6.337 9.929 2.147 156 HB3 ALA 25 3HB ALA 25 5.435 9.329 3.543 157 H GLU 26 H GLU 26 4.500 9.228 -0.535 158 HA GLU 26 HA GLU 26 2.017 10.404 0.375 159 HB3 GLU 26 2HB GLU 26 3.291 10.270 -2.393 160 HG3 GLU 26 2HG GLU 26 1.088 11.957 -1.178 161 H ALA 27 H ALA 27 2.918 7.298 -0.874 162 HA ALA 27 HA ALA 27 0.111 6.506 -1.008 163 HB1 ALA 27 1HB ALA 27 0.452 7.300 -3.273 164 HB2 ALA 27 2HB ALA 27 1.946 6.363 -3.425 165 HB3 ALA 27 3HB ALA 27 0.387 5.523 -3.287 166 H ARG 28 H ARG 28 0.625 5.213 0.800 167 HA ARG 28 HA ARG 28 2.153 2.740 0.009 168 HB3 ARG 28 2HB ARG 28 3.050 2.348 1.996 169 HG3 ARG 28 2HG ARG 28 3.869 4.731 1.561 170 HD3 ARG 28 2HD ARG 28 1.505 5.122 3.361 171 HE ARG 28 HE ARG 28 3.900 5.894 4.403 172 HH11 ARG 28 1HH1 ARG 28 0.724 7.223 3.672 173 HH12 ARG 28 2HH1 ARG 28 1.025 8.769 4.431 174 HH21 ARG 28 1HH2 ARG 28 4.338 8.044 5.348 175 HH22 ARG 28 2HH2 ARG 28 3.045 9.214 5.331 176 H ARG 29 H ARG 29 -0.934 4.054 1.064 177 HA ARG 29 HA ARG 29 -1.916 1.925 2.447 178 HB3 ARG 29 2HB ARG 29 -3.120 4.004 2.204 179 HG3 ARG 29 2HG ARG 29 -3.248 3.605 -0.630 180 HD3 ARG 29 2HD ARG 29 -5.827 2.982 0.799 181 HE ARG 29 HE ARG 29 -6.439 5.120 0.078 182 HH11 ARG 29 1HH1 ARG 29 -5.602 3.041 -2.763 183 HH12 ARG 29 2HH1 ARG 29 -6.579 3.995 -3.827 184 HH21 ARG 29 1HH2 ARG 29 -7.865 6.254 -1.506 185 HH22 ARG 29 2HH2 ARG 29 -7.829 5.660 -3.138 186 H ASN 30 H ASN 30 -1.506 1.916 -1.083 187 HA ASN 30 HA ASN 30 -2.968 -0.619 -1.245 188 HB3 ASN 30 2HB ASN 30 -2.158 -0.481 -3.661 189 HD21 ASN 30 1HD2 ASN 30 -4.442 -1.154 -3.488 190 HD22 ASN 30 2HD2 ASN 30 -5.645 0.115 -3.412 191 H ARG 31 H ARG 31 0.415 0.308 -0.804 192 HA ARG 31 HA ARG 31 1.471 -2.319 -1.490 193 HB3 ARG 31 2HB ARG 31 2.451 0.047 0.144 194 HG3 ARG 31 2HG ARG 31 4.681 -1.355 0.035 195 HD3 ARG 31 2HD ARG 31 2.669 -1.583 2.322 196 HE ARG 31 HE ARG 31 4.524 -3.273 2.502 197 HH11 ARG 31 1HH1 ARG 31 5.997 -0.077 2.364 198 HH12 ARG 31 2HH1 ARG 31 7.112 -0.461 3.650 199 HH21 ARG 31 1HH2 ARG 31 5.851 -3.632 4.384 200 HH22 ARG 31 2HH2 ARG 31 7.084 -2.422 4.683 201 H LEU 32 H LEU 32 0.402 -0.803 1.571 202 HA LEU 32 HA LEU 32 1.077 -3.072 3.206 203 HB3 LEU 32 2HB LEU 32 -0.659 -1.815 4.759 204 HG LEU 32 HG LEU 32 2.029 -1.724 4.764 205 HD11 LEU 32 1HD1 LEU 32 2.897 0.307 4.068 206 HD12 LEU 32 2HD1 LEU 32 1.348 1.181 4.213 207 HD13 LEU 32 3HD1 LEU 32 1.608 0.108 2.864 208 HD21 LEU 32 3HD2 LEU 32 0.660 -1.215 6.778 209 HD22 LEU 32 1HD2 LEU 32 0.314 0.422 6.140 210 HD23 LEU 32 2HD2 LEU 32 1.966 -0.031 6.568 211 H LEU 33 H LEU 33 -1.720 -2.176 1.489 212 HA LEU 33 HA LEU 33 -3.736 -3.938 2.349 213 HB3 LEU 33 2HB LEU 33 -3.681 -4.193 -0.504 214 HG LEU 33 HG LEU 33 -5.076 -2.064 1.171 215 HD11 LEU 33 1HD1 LEU 33 -5.009 -1.206 -1.006 216 HD12 LEU 33 2HD1 LEU 33 -6.553 -2.040 -0.996 217 HD13 LEU 33 3HD1 LEU 33 -5.169 -2.805 -1.775 218 HD21 LEU 33 3HD2 LEU 33 -6.072 -4.715 0.041 219 HD22 LEU 33 1HD2 LEU 33 -7.105 -3.467 0.787 220 HD23 LEU 33 2HD2 LEU 33 -5.885 -4.288 1.742 221 H GLY 34 H GLY 34 -0.755 -4.826 0.424 222 HA2 GLY 34 1HA GLY 34 -1.531 -7.535 0.002 223 HA3 GLY 34 2HA GLY 34 0.106 -6.858 -0.098 224 H GLU 35 H GLU 35 0.300 -5.880 2.625 225 HA GLU 35 HA GLU 35 1.344 -8.280 3.803 226 HB3 GLU 35 2HB GLU 35 1.815 -6.927 5.742 227 HG3 GLU 35 2HG GLU 35 2.200 -5.011 3.421 228 H TRP 36 H TRP 36 -1.690 -6.563 4.094 229 HA TRP 36 HA TRP 36 -2.837 -8.133 6.248 230 HB3 TRP 36 2HB TRP 36 -3.936 -6.404 4.025 231 HD1 TRP 36 HD TRP 36 -5.406 -8.193 7.141 232 HE1 TRP 36 1HE TRP 36 -7.794 -8.866 6.670 233 HE3 TRP 36 3HE TRP 36 -5.798 -6.408 2.355 234 HZ2 TRP 36 2HZ TRP 36 -9.768 -8.440 4.564 235 HZ3 TRP 36 3HZ TRP 36 -7.999 -6.419 1.197 236 HH2 TRP 36 HH TRP 36 -9.990 -7.432 2.303 237 H ALA 37 H ALA 37 -3.682 -8.280 2.775 238 HA ALA 37 HA ALA 37 -5.081 -10.652 2.980 239 HB1 ALA 37 1HB ALA 37 -3.535 -9.498 0.574 240 HB2 ALA 37 2HB ALA 37 -4.877 -10.643 0.442 241 HB3 ALA 37 3HB ALA 37 -5.157 -8.996 1.073 242 H ALA 38 H ALA 38 -1.565 -10.355 2.346 243 HA ALA 38 HA ALA 38 -0.928 -12.996 1.573 244 HB1 ALA 38 1HB ALA 38 1.233 -12.484 2.737 245 HB2 ALA 38 2HB ALA 38 0.726 -11.190 1.648 246 HB3 ALA 38 3HB ALA 38 0.517 -11.014 3.403 247 H GLY 39 H GLY 39 -1.268 -11.620 4.874 248 HA2 GLY 39 1HA GLY 39 -0.675 -13.949 6.350 249 HA3 GLY 39 2HA GLY 39 -1.666 -12.583 6.911 250 H LEU 40 H LEU 40 -3.892 -12.658 5.282 251 HA LEU 40 HA LEU 40 -5.586 -14.556 6.297 252 HB3 LEU 40 2HB LEU 40 -6.940 -14.001 4.194 253 HG LEU 40 HG LEU 40 -7.165 -12.732 6.220 254 HD11 LEU 40 1HD1 LEU 40 -6.328 -10.646 6.715 255 HD12 LEU 40 2HD1 LEU 40 -5.377 -10.579 5.221 256 HD13 LEU 40 3HD1 LEU 40 -4.959 -11.686 6.559 257 HD21 LEU 40 3HD2 LEU 40 -7.274 -10.966 3.767 258 HD22 LEU 40 1HD2 LEU 40 -8.256 -10.768 5.218 259 HD23 LEU 40 2HD2 LEU 40 -8.507 -12.177 4.195 260 H LEU 41 H LEU 41 -3.656 -14.704 3.309 261 HA LEU 41 HA LEU 41 -4.704 -17.332 2.520 262 HB3 LEU 41 2HB LEU 41 -3.187 -16.890 0.530 263 HG LEU 41 HG LEU 41 -5.295 -14.833 1.320 264 HD11 LEU 41 1HD1 LEU 41 -3.711 -13.774 -0.249 265 HD12 LEU 41 2HD1 LEU 41 -5.301 -14.049 -0.979 266 HD13 LEU 41 3HD1 LEU 41 -3.960 -15.133 -1.379 267 HD21 LEU 41 3HD2 LEU 41 -6.030 -17.183 0.825 268 HD22 LEU 41 1HD2 LEU 41 -5.354 -17.025 -0.790 269 HD23 LEU 41 2HD2 LEU 41 -6.692 -15.975 -0.287 270 H GLY 42 H GLY 42 -2.535 -16.508 4.835 271 HA2 GLY 42 1HA GLY 42 -1.034 -17.854 5.964 272 HA3 GLY 42 2HA GLY 42 -1.301 -19.132 4.767 273 H LYS 43 H LYS 43 -0.395 -16.022 3.432 274 HA LYS 43 HA LYS 43 2.309 -17.024 2.774 275 HB3 LYS 43 2HB LYS 43 2.385 -15.274 1.151 276 HG3 LYS 43 2HG LYS 43 -0.548 -16.016 1.016 277 HD3 LYS 43 2HD LYS 43 1.670 -16.003 -1.052 278 HE3 LYS 43 2HE LYS 43 -1.316 -16.518 -1.427 279 HZ1 LYS 43 3HZ LYS 43 1.047 -16.953 -3.148 280 HZ2 LYS 43 1HZ LYS 43 -0.231 -15.927 -3.447 281 HZ3 LYS 43 2HZ LYS 43 -0.445 -17.541 -3.485 282 H THR 44 H THR 44 4.043 -16.267 3.991 283 HA THR 44 HA THR 44 3.830 -13.671 5.337 284 HB THR 44 HB THR 44 4.848 -14.818 7.407 285 HG1 THR 44 1HG THR 44 4.106 -16.967 7.692 286 HG21 THR 44 3HG2 THR 44 2.712 -15.209 8.433 287 HG22 THR 44 1HG2 THR 44 1.938 -15.510 6.864 288 HG23 THR 44 2HG2 THR 44 2.515 -13.881 7.279 289 H GLY 45 H GLY 45 6.029 -13.064 6.210 290 HA2 GLY 45 1HA GLY 45 8.228 -12.619 5.797 291 HA3 GLY 45 2HA GLY 45 8.412 -14.344 5.428 292 H ASP 46 H ASP 46 9.424 -14.518 3.481 293 HA ASP 46 HA ASP 46 9.365 -12.346 1.616 294 HB3 ASP 46 2HB ASP 46 10.301 -15.046 0.714 295 H ASP 47 H ASP 47 7.386 -15.308 1.862 296 HA ASP 47 HA ASP 47 6.462 -15.259 -0.865 297 HB3 ASP 47 2HB ASP 47 4.370 -16.320 0.730 298 H ALA 48 H ALA 48 5.658 -13.423 2.023 299 HA ALA 48 HA ALA 48 3.100 -12.389 1.009 300 HB1 ALA 48 1HB ALA 48 3.247 -10.934 3.021 301 HB2 ALA 48 2HB ALA 48 3.436 -12.640 3.436 302 HB3 ALA 48 3HB ALA 48 4.857 -11.574 3.386 303 H ARG 49 H ARG 49 6.525 -11.382 1.359 304 HA ARG 49 HA ARG 49 6.080 -8.702 0.421 305 HB3 ARG 49 2HB ARG 49 7.990 -9.751 1.705 306 HG3 ARG 49 2HG ARG 49 9.046 -9.558 -1.138 307 HD3 ARG 49 2HD ARG 49 10.339 -8.311 0.433 308 HE ARG 49 HE ARG 49 11.288 -10.781 1.714 309 HH11 ARG 49 1HH1 ARG 49 9.673 -7.634 2.301 310 HH12 ARG 49 2HH1 ARG 49 9.756 -7.766 4.016 311 HH21 ARG 49 1HH2 ARG 49 11.569 -10.791 3.954 312 HH22 ARG 49 2HH2 ARG 49 10.792 -9.610 5.000 313 H ALA 50 H ALA 50 7.120 -11.635 -1.216 314 HA ALA 50 HA ALA 50 7.375 -10.696 -3.844 315 HB1 ALA 50 1HB ALA 50 6.511 -13.436 -2.831 316 HB2 ALA 50 2HB ALA 50 7.034 -13.069 -4.491 317 HB3 ALA 50 3HB ALA 50 8.173 -12.891 -3.139 318 H TYR 51 H TYR 51 4.470 -11.988 -2.140 319 HA TYR 51 HA TYR 51 2.628 -11.637 -4.284 320 HB3 TYR 51 2HB TYR 51 2.386 -11.693 -1.259 321 HD1 TYR 51 1HD TYR 51 0.172 -12.327 -4.226 322 HD2 TYR 51 2HD TYR 51 0.631 -10.353 -0.403 323 HE1 TYR 51 1HE TYR 51 -2.169 -11.570 -4.326 324 HE2 TYR 51 2HE TYR 51 -1.702 -9.652 -0.477 325 HH TYR 51 HH TYR 51 -3.844 -11.160 -2.550 326 H ALA 52 H ALA 52 3.576 -9.379 -1.626 327 HA ALA 52 HA ALA 52 1.750 -7.341 -2.308 328 HB1 ALA 52 1HB ALA 52 2.859 -7.490 -0.140 329 HB2 ALA 52 2HB ALA 52 4.423 -7.107 -0.896 330 HB3 ALA 52 3HB ALA 52 3.121 -5.899 -0.881 331 H LEU 53 H LEU 53 4.627 -8.237 -4.026 332 HA LEU 53 HA LEU 53 5.399 -5.735 -5.125 333 HB3 LEU 53 2HB LEU 53 6.520 -6.988 -6.882 334 HG LEU 53 HG LEU 53 6.664 -8.668 -4.381 335 HD11 LEU 53 1HD1 LEU 53 7.511 -9.878 -6.291 336 HD12 LEU 53 2HD1 LEU 53 8.870 -9.384 -5.272 337 HD13 LEU 53 3HD1 LEU 53 8.504 -8.494 -6.772 338 HD21 LEU 53 3HD2 LEU 53 7.293 -6.308 -3.962 339 HD22 LEU 53 1HD2 LEU 53 8.567 -6.458 -5.188 340 HD23 LEU 53 2HD2 LEU 53 8.613 -7.474 -3.712 341 H THR 54 H THR 54 2.426 -7.396 -5.745 342 HA THR 54 HA THR 54 2.058 -5.814 -8.256 343 HB THR 54 HB THR 54 2.662 -8.075 -8.787 344 HG1 THR 54 1HG THR 54 1.131 -7.131 -10.106 345 HG21 THR 54 3HG2 THR 54 2.059 -9.377 -6.874 346 HG22 THR 54 1HG2 THR 54 1.140 -9.999 -8.234 347 HG23 THR 54 2HG2 THR 54 0.340 -8.958 -7.036 348 H VAL 55 H VAL 55 0.906 -6.111 -5.142 349 HA VAL 55 HA VAL 55 -1.922 -6.220 -5.691 350 HB VAL 55 HB VAL 55 -0.606 -7.194 -3.773 351 HG11 VAL 55 1HG1 VAL 55 -0.831 -4.500 -2.441 352 HG12 VAL 55 2HG1 VAL 55 0.099 -5.911 -1.938 353 HG13 VAL 55 3HG1 VAL 55 0.627 -4.949 -3.319 354 HG21 VAL 55 3HG2 VAL 55 -2.943 -5.538 -2.785 355 HG22 VAL 55 1HG2 VAL 55 -3.104 -7.015 -3.760 356 HG23 VAL 55 2HG2 VAL 55 -2.341 -7.084 -2.170 357 H VAL 56 H VAL 56 -0.220 -3.769 -6.705 358 HA VAL 56 HA VAL 56 -1.601 -1.636 -5.207 359 HB VAL 56 HB VAL 56 0.548 -1.557 -4.449 360 HG11 VAL 56 1HG1 VAL 56 1.733 -3.015 -5.944 361 HG12 VAL 56 2HG1 VAL 56 1.575 -1.854 -7.285 362 HG13 VAL 56 3HG1 VAL 56 2.586 -1.471 -5.873 363 HG21 VAL 56 3HG2 VAL 56 1.412 0.578 -5.126 364 HG22 VAL 56 1HG2 VAL 56 0.580 0.498 -6.692 365 HG23 VAL 56 2HG2 VAL 56 -0.351 0.662 -5.191 366 H THR 57 H THR 57 -2.905 -0.449 -6.183 367 HA THR 57 HA THR 57 -2.806 0.532 -8.857 368 HB THR 57 HB THR 57 -3.627 -1.713 -9.329 369 HG1 THR 57 1HG THR 57 -5.846 -1.151 -9.956 370 HG21 THR 57 3HG2 THR 57 -4.338 -2.491 -7.135 371 HG22 THR 57 1HG2 THR 57 -5.698 -2.614 -8.242 372 HG23 THR 57 2HG2 THR 57 -5.613 -1.272 -7.068 373 H SER 58 H SER 58 -5.296 1.707 -8.937 374 HA SER 58 HA SER 58 -6.491 2.230 -6.396 375 HB3 SER 58 2HB SER 58 -6.162 4.784 -6.591 376 HG SER 58 HG SER 58 -4.277 2.885 -5.765 377 H ASP 59 H ASP 59 -8.514 1.967 -7.068 378 HA ASP 59 HA ASP 59 -9.797 3.983 -8.659 379 HB3 ASP 59 2HB ASP 59 -10.853 1.395 -9.534 380 H PHE 60 H PHE 60 -11.750 4.359 -7.375 381 HA PHE 60 HA PHE 60 -13.120 2.261 -6.082 382 HB3 PHE 60 2HB PHE 60 -11.946 4.110 -4.002 383 HD1 PHE 60 2HD PHE 60 -11.644 0.375 -4.274 384 HD2 PHE 60 1HD PHE 60 -13.802 3.665 -2.478 385 HE1 PHE 60 2HE PHE 60 -12.802 -1.216 -2.659 386 HE2 PHE 60 1HE PHE 60 -14.984 2.091 -1.014 387 HZ PHE 60 HZ PHE 60 -14.481 -0.358 -1.145 388 H ASP 61 H ASP 61 -14.583 3.539 -4.301 389 HA ASP 61 HA ASP 61 -16.089 5.100 -3.742 390 HB3 ASP 61 2HB ASP 61 -15.244 7.100 -5.834 391 H GLU 62 H GLU 62 -16.318 2.991 -5.493 392 HA GLU 62 HA GLU 62 -17.383 1.941 -7.107 393 HB3 GLU 62 2HB GLU 62 -19.116 1.833 -5.678 394 HG3 GLU 62 2HG GLU 62 -20.037 4.635 -6.455 395 HA PRO 63 HA PRO 63 -16.697 5.177 -10.246 396 HB3 PRO 63 2HB PRO 63 -14.440 5.102 -9.537 397 HG3 PRO 63 2HG PRO 63 -13.335 3.000 -9.153 398 HD3 PRO 63 2HD PRO 63 -15.082 3.026 -7.624 399 H GLY 64 H GLY 64 -17.551 1.905 -10.536 400 HA2 GLY 64 1HA GLY 64 -18.390 2.061 -13.186 401 HA3 GLY 64 2HA GLY 64 -16.798 1.283 -13.237 402 H ASP 65 H ASP 65 -16.559 -0.861 -12.222 403 HA ASP 65 HA ASP 65 -19.174 -2.226 -11.800 404 HB3 ASP 65 2HB ASP 65 -16.838 -3.180 -13.523 405 H GLU 66 H GLU 66 -15.803 -3.494 -11.912 406 HA GLU 66 HA GLU 66 -15.314 -3.197 -9.069 407 HB3 GLU 66 2HB GLU 66 -16.625 -5.194 -9.339 408 HG3 GLU 66 2HG GLU 66 -14.575 -6.189 -11.325 409 H ASP 67 H ASP 67 -13.029 -3.053 -8.773 410 HA ASP 67 HA ASP 67 -11.300 -3.619 -11.117 411 HB3 ASP 67 2HB ASP 67 -11.028 -0.902 -9.851 412 H VAL 68 H VAL 68 -10.950 -1.862 -7.987 413 HA VAL 68 HA VAL 68 -8.481 -3.383 -7.460 414 HB VAL 68 HB VAL 68 -9.860 -1.168 -5.876 415 HG11 VAL 68 1HG1 VAL 68 -8.395 -2.499 -4.414 416 HG12 VAL 68 2HG1 VAL 68 -7.072 -2.369 -5.583 417 HG13 VAL 68 3HG1 VAL 68 -7.669 -0.928 -4.745 418 HG21 VAL 68 3HG2 VAL 68 -9.160 -0.239 -7.962 419 HG22 VAL 68 1HG2 VAL 68 -7.833 0.130 -6.846 420 HG23 VAL 68 2HG2 VAL 68 -7.691 -1.197 -8.011 421 H PHE 69 H PHE 69 -11.876 -3.156 -6.346 422 HA PHE 69 HA PHE 69 -11.690 -5.060 -4.215 423 HB3 PHE 69 2HB PHE 69 -13.916 -4.087 -6.015 424 HD1 PHE 69 1HD PHE 69 -14.138 -5.450 -2.580 425 HD2 PHE 69 2HD PHE 69 -15.179 -6.034 -6.718 426 HE1 PHE 69 1HE PHE 69 -15.558 -7.408 -1.966 427 HE2 PHE 69 2HE PHE 69 -16.658 -7.896 -6.092 428 HZ PHE 69 HZ PHE 69 -16.839 -8.610 -3.713 429 H ARG 70 H ARG 70 -12.272 -5.363 -7.747 430 HA ARG 70 HA ARG 70 -12.861 -8.038 -7.965 431 HB3 ARG 70 2HB ARG 70 -10.997 -6.524 -9.831 432 HG3 ARG 70 2HG ARG 70 -12.757 -8.961 -10.160 433 HD3 ARG 70 2HD ARG 70 -13.085 -7.354 -12.070 434 HE ARG 70 HE ARG 70 -11.042 -6.271 -12.452 435 HH11 ARG 70 1HH1 ARG 70 -11.083 -9.639 -13.471 436 HH12 ARG 70 2HH1 ARG 70 -9.899 -9.454 -14.713 437 HH21 ARG 70 1HH2 ARG 70 -9.438 -6.010 -13.986 438 HH22 ARG 70 2HH2 ARG 70 -8.803 -7.325 -14.912 439 H LYS 71 H LYS 71 -9.492 -6.824 -7.974 440 HA LYS 71 HA LYS 71 -8.486 -9.547 -7.958 441 HB3 LYS 71 2HB LYS 71 -6.318 -8.069 -7.219 442 HG3 LYS 71 2HG LYS 71 -6.335 -9.341 -9.250 443 HD3 LYS 71 2HD LYS 71 -8.432 -7.363 -10.239 444 HE3 LYS 71 2HE LYS 71 -8.162 -8.468 -12.456 445 HZ1 LYS 71 3HZ LYS 71 -6.435 -7.108 -13.143 446 HZ2 LYS 71 1HZ LYS 71 -5.531 -7.389 -11.805 447 HZ3 LYS 71 2HZ LYS 71 -6.840 -6.378 -11.729 448 H LEU 72 H LEU 72 -9.057 -7.161 -5.334 449 HA LEU 72 HA LEU 72 -7.656 -8.784 -3.403 450 HB3 LEU 72 2HB LEU 72 -9.148 -7.442 -1.740 451 HG LEU 72 HG LEU 72 -7.248 -6.070 -3.678 452 HD11 LEU 72 1HD1 LEU 72 -8.814 -4.431 -2.707 453 HD12 LEU 72 2HD1 LEU 72 -7.165 -4.207 -2.115 454 HD13 LEU 72 3HD1 LEU 72 -8.383 -4.987 -1.071 455 HD21 LEU 72 3HD2 LEU 72 -6.143 -7.777 -2.281 456 HD22 LEU 72 1HD2 LEU 72 -6.880 -7.113 -0.823 457 HD23 LEU 72 2HD2 LEU 72 -5.673 -6.177 -1.732 458 H ALA 73 H ALA 73 -11.134 -8.557 -4.291 459 HA ALA 73 HA ALA 73 -11.993 -10.511 -2.391 460 HB1 ALA 73 1HB ALA 73 -13.468 -8.778 -3.338 461 HB2 ALA 73 2HB ALA 73 -13.301 -9.495 -4.963 462 HB3 ALA 73 3HB ALA 73 -14.108 -10.395 -3.653 463 H ALA 74 H ALA 74 -10.797 -10.749 -5.757 464 HA ALA 74 HA ALA 74 -11.470 -13.508 -6.118 465 HB1 ALA 74 1HB ALA 74 -9.676 -13.427 -7.853 466 HB2 ALA 74 2HB ALA 74 -10.826 -12.086 -8.003 467 HB3 ALA 74 3HB ALA 74 -9.213 -11.813 -7.296 468 H ASP 75 H ASP 75 -8.508 -11.875 -4.878 469 HA ASP 75 HA ASP 75 -7.025 -14.300 -4.462 470 HB3 ASP 75 2HB ASP 75 -6.443 -11.925 -2.732 471 H LEU 76 H LEU 76 -8.785 -12.124 -2.274 472 HA LEU 76 HA LEU 76 -8.824 -14.024 -0.038 473 HB3 LEU 76 2HB LEU 76 -9.850 -12.133 1.173 474 HG LEU 76 HG LEU 76 -7.431 -11.174 -0.416 475 HD11 LEU 76 1HD1 LEU 76 -8.743 -10.281 2.180 476 HD12 LEU 76 2HD1 LEU 76 -8.604 -9.363 0.665 477 HD13 LEU 76 3HD1 LEU 76 -7.162 -9.725 1.622 478 HD21 LEU 76 3HD2 LEU 76 -7.741 -12.860 2.105 479 HD22 LEU 76 1HD2 LEU 76 -6.236 -12.022 1.667 480 HD23 LEU 76 2HD2 LEU 76 -6.873 -13.265 0.615 481 H GLU 77 H GLU 77 -10.321 -14.736 -2.468 482 HA GLU 77 HA GLU 77 -13.091 -14.515 -2.113 483 HB3 GLU 77 2HB GLU 77 -11.308 -16.741 -3.117 484 HG3 GLU 77 2HG GLU 77 -14.340 -16.637 -3.117 485 H GLY 78 H GLY 78 -14.170 -14.812 -0.308 486 HA2 GLY 78 1HA GLY 78 -15.201 -16.082 1.343 487 HA3 GLY 78 2HA GLY 78 -13.938 -17.293 1.184 488 H LYS 79 H LYS 79 -12.441 -14.284 1.509 489 HA LYS 79 HA LYS 79 -12.263 -14.430 4.497 490 HB3 LYS 79 2HB LYS 79 -9.787 -14.103 4.242 491 HG3 LYS 79 2HG LYS 79 -10.893 -16.644 2.969 492 HD3 LYS 79 2HD LYS 79 -8.849 -17.640 4.147 493 HE3 LYS 79 2HE LYS 79 -7.229 -16.667 2.316 494 HZ1 LYS 79 3HZ LYS 79 -8.729 -17.845 0.566 495 HZ2 LYS 79 1HZ LYS 79 -9.614 -18.313 1.859 496 HZ3 LYS 79 2HZ LYS 79 -8.022 -18.723 1.741 497 H ALA 80 H ALA 80 -13.257 -12.460 2.097 498 HA ALA 80 HA ALA 80 -12.883 -10.133 3.801 499 HB1 ALA 80 1HB ALA 80 -12.220 -8.663 1.913 500 HB2 ALA 80 2HB ALA 80 -10.992 -9.898 2.224 501 HB3 ALA 80 3HB ALA 80 -12.101 -10.076 0.843 502 H ASP 81 H ASP 81 -14.325 -8.245 2.574 503 HA ASP 81 HA ASP 81 -16.662 -9.307 1.234 504 HB3 ASP 81 2HB ASP 81 -18.217 -8.454 2.726 505 H GLU 82 H GLU 82 -17.910 -7.381 0.404 506 HA GLU 82 HA GLU 82 -16.311 -5.386 -0.784 507 HB3 GLU 82 2HB GLU 82 -18.597 -4.287 -1.150 508 HG3 GLU 82 2HG GLU 82 -18.143 -7.215 -1.901 509 H GLU 83 H GLU 83 -18.569 -5.090 2.025 510 HA GLU 83 HA GLU 83 -17.767 -2.386 2.555 511 HB3 GLU 83 2HB GLU 83 -20.009 -3.316 3.124 512 HG3 GLU 83 2HG GLU 83 -18.571 -4.531 5.527 513 H THR 84 H THR 84 -16.249 -5.324 3.192 514 HA THR 84 HA THR 84 -14.801 -4.411 5.576 515 HB THR 84 HB THR 84 -14.747 -6.936 3.930 516 HG1 THR 84 1HG THR 84 -15.952 -7.710 5.553 517 HG21 THR 84 3HG2 THR 84 -13.373 -7.887 5.774 518 HG22 THR 84 1HG2 THR 84 -13.240 -6.276 6.512 519 HG23 THR 84 2HG2 THR 84 -12.491 -6.605 4.931 520 H ILE 85 H ILE 85 -14.046 -5.177 2.080 521 HA ILE 85 HA ILE 85 -11.372 -4.267 2.211 522 HB ILE 85 HB ILE 85 -13.287 -4.261 -0.174 523 HG13 ILE 85 2HG1 ILE 85 -12.498 -6.491 1.158 524 HG21 ILE 85 1HG2 ILE 85 -11.178 -4.267 -1.541 525 HG22 ILE 85 2HG2 ILE 85 -11.587 -2.765 -0.730 526 HG23 ILE 85 3HG2 ILE 85 -10.295 -3.796 -0.066 527 HD11 ILE 85 3HD1 ILE 85 -13.428 -6.887 -0.991 528 HD12 ILE 85 1HD1 ILE 85 -11.939 -6.359 -1.820 529 HD13 ILE 85 2HD1 ILE 85 -11.946 -7.826 -0.829 530 H ARG 86 H ARG 86 -14.408 -2.425 1.467 531 HA ARG 86 HA ARG 86 -13.140 -0.036 0.877 532 HB3 ARG 86 2HB ARG 86 -15.660 -0.731 0.740 533 HG3 ARG 86 2HG ARG 86 -15.738 -0.552 3.475 534 HD3 ARG 86 2HD ARG 86 -16.946 2.041 2.465 535 HE ARG 86 HE ARG 86 -17.126 0.560 4.915 536 HH11 ARG 86 1HH1 ARG 86 -17.377 3.892 3.658 537 HH12 ARG 86 2HH1 ARG 86 -17.824 4.542 5.177 538 HH21 ARG 86 1HH2 ARG 86 -17.933 1.322 6.765 539 HH22 ARG 86 2HH2 ARG 86 -18.475 2.957 6.915 540 H ALA 87 H ALA 87 -13.578 -1.478 4.016 541 HA ALA 87 HA ALA 87 -12.895 0.964 5.481 542 HB1 ALA 87 1HB ALA 87 -13.374 -1.909 6.393 543 HB2 ALA 87 2HB ALA 87 -13.058 -0.535 7.458 544 HB3 ALA 87 3HB ALA 87 -14.534 -0.562 6.472 545 H LYS 88 H LYS 88 -11.523 -2.213 4.577 546 HA LYS 88 HA LYS 88 -9.329 -2.156 6.303 547 HB3 LYS 88 2HB LYS 88 -9.094 -3.786 3.819 548 HG3 LYS 88 2HG LYS 88 -7.774 -4.042 6.068 549 HD3 LYS 88 2HD LYS 88 -10.495 -5.157 6.838 550 HE3 LYS 88 2HE LYS 88 -7.772 -6.331 7.397 551 HZ1 LYS 88 3HZ LYS 88 -10.142 -6.710 9.110 552 HZ2 LYS 88 1HZ LYS 88 -8.668 -6.086 9.544 553 HZ3 LYS 88 2HZ LYS 88 -8.811 -7.674 9.081 554 H MET 89 H MET 89 -9.422 -1.414 2.769 555 HA MET 89 HA MET 89 -6.583 -0.949 2.722 556 HB3 MET 89 2HB MET 89 -7.912 -1.429 0.702 557 HG3 MET 89 2HG MET 89 -8.332 1.040 -0.423 558 HE1 MET 89 3HE MET 89 -8.761 -1.654 -1.713 559 HE2 MET 89 1HE MET 89 -10.427 -1.637 -2.338 560 HE3 MET 89 2HE MET 89 -9.404 -0.211 -2.539 561 H VAL 90 H VAL 90 -9.258 1.108 3.575 562 HA VAL 90 HA VAL 90 -7.740 3.558 3.724 563 HB VAL 90 HB VAL 90 -10.402 2.799 4.988 564 HG11 VAL 90 1HG1 VAL 90 -9.499 4.720 6.140 565 HG12 VAL 90 2HG1 VAL 90 -9.024 5.491 4.596 566 HG13 VAL 90 3HG1 VAL 90 -10.731 5.279 5.022 567 HG21 VAL 90 3HG2 VAL 90 -9.711 4.241 2.371 568 HG22 VAL 90 1HG2 VAL 90 -10.504 2.654 2.526 569 HG23 VAL 90 2HG2 VAL 90 -11.335 4.103 3.076 570 H GLU 91 H GLU 91 -8.262 0.822 5.887 571 HA GLU 91 HA GLU 91 -8.187 1.995 8.320 572 HB3 GLU 91 2HB GLU 91 -7.075 -0.805 7.940 573 HG3 GLU 91 2HG GLU 91 -9.369 -0.970 9.397 574 H LEU 92 H LEU 92 -5.345 0.438 6.761 575 HA LEU 92 HA LEU 92 -3.545 0.767 8.865 576 HB3 LEU 92 2HB LEU 92 -1.858 0.152 7.158 577 HG LEU 92 HG LEU 92 -2.373 -1.940 6.614 578 HD11 LEU 92 1HD1 LEU 92 -4.284 -1.500 8.908 579 HD12 LEU 92 2HD1 LEU 92 -2.541 -1.638 9.049 580 HD13 LEU 92 3HD1 LEU 92 -3.489 -2.992 8.472 581 HD21 LEU 92 3HD2 LEU 92 -5.364 -1.481 6.570 582 HD22 LEU 92 1HD2 LEU 92 -4.460 -2.992 6.204 583 HD23 LEU 92 2HD2 LEU 92 -4.276 -1.584 5.119 584 H ARG 93 H ARG 93 -4.741 3.436 8.083 585 HA ARG 93 HA ARG 93 -2.830 4.838 6.451 586 HB3 ARG 93 2HB ARG 93 -5.130 5.523 6.573 587 HG3 ARG 93 2HG ARG 93 -5.459 5.243 9.156 588 HD3 ARG 93 2HD ARG 93 -4.362 8.070 8.932 589 HE ARG 93 HE ARG 93 -6.531 7.353 10.547 590 HH11 ARG 93 1HH1 ARG 93 -3.354 8.913 10.738 591 HH12 ARG 93 2HH1 ARG 93 -3.832 10.020 11.988 592 HH21 ARG 93 1HH2 ARG 93 -7.071 8.623 12.422 593 HH22 ARG 93 2HH2 ARG 93 -5.998 9.856 12.990 594 H ALA 94 H ALA 94 -2.723 4.180 9.907 595 HA ALA 94 HA ALA 94 -0.763 6.356 10.377 596 HB1 ALA 94 1HB ALA 94 -1.897 4.273 12.258 597 HB2 ALA 94 2HB ALA 94 -0.841 5.610 12.690 598 HB3 ALA 94 3HB ALA 94 -2.482 5.936 12.091 599 H THR 95 H THR 95 -1.011 2.754 10.476 600 HA THR 95 HA THR 95 1.661 2.152 10.850 601 HB THR 95 HB THR 95 -0.298 0.627 9.106 602 HG1 THR 95 1HG THR 95 -0.185 0.941 11.924 603 HG21 THR 95 3HG2 THR 95 1.869 -0.312 11.047 604 HG22 THR 95 1HG2 THR 95 1.942 -0.403 9.272 605 HG23 THR 95 2HG2 THR 95 0.743 -1.363 10.158 606 H ALA 96 H ALA 96 0.026 3.200 7.888 607 HA ALA 96 HA ALA 96 2.012 2.736 5.985 608 HB1 ALA 96 1HB ALA 96 -0.451 4.219 6.139 609 HB2 ALA 96 2HB ALA 96 0.755 5.357 5.562 610 HB3 ALA 96 3HB ALA 96 0.474 3.822 4.683 611 H ARG 97 H ARG 97 1.857 5.478 8.338 612 HA ARG 97 HA ARG 97 4.164 6.874 7.193 613 HB3 ARG 97 2HB ARG 97 2.421 7.109 9.655 614 HG3 ARG 97 2HG ARG 97 5.121 8.482 9.353 615 HD3 ARG 97 2HD ARG 97 2.709 8.984 11.128 616 HE ARG 97 HE ARG 97 5.346 10.158 11.820 617 HH11 ARG 97 1HH1 ARG 97 2.872 7.713 12.787 618 HH12 ARG 97 2HH1 ARG 97 3.417 7.717 14.407 619 HH21 ARG 97 1HH2 ARG 97 5.915 10.145 13.959 620 HH22 ARG 97 2HH2 ARG 97 5.077 9.180 15.139 621 H GLU 98 H GLU 98 3.521 4.660 9.917 622 HA GLU 98 HA GLU 98 5.965 4.774 11.149 623 HB3 GLU 98 2HB GLU 98 5.141 2.367 11.828 624 HG3 GLU 98 2HG GLU 98 2.979 3.938 12.734 625 H GLN 99 H GLN 99 4.877 2.262 8.794 626 HA GLN 99 HA GLN 99 7.233 0.758 8.845 627 HB3 GLN 99 2HB GLN 99 6.496 -0.054 6.632 628 HG3 GLN 99 2HG GLN 99 4.272 -0.101 8.674 629 HE21 GLN 99 1HE2 GLN 99 2.895 -1.760 7.856 630 HE22 GLN 99 2HE2 GLN 99 3.623 -3.054 6.910 631 H ILE 100 H ILE 100 6.523 3.589 6.696 632 HA ILE 100 HA ILE 100 8.857 3.231 5.061 633 HB ILE 100 HB ILE 100 7.391 5.756 5.786 634 HG13 ILE 100 2HG1 ILE 100 6.049 5.551 3.742 635 HG21 ILE 100 1HG2 ILE 100 8.174 6.504 3.403 636 HG22 ILE 100 2HG2 ILE 100 9.368 6.460 4.698 637 HG23 ILE 100 3HG2 ILE 100 9.317 5.153 3.523 638 HD11 ILE 100 3HD1 ILE 100 5.919 3.466 2.449 639 HD12 ILE 100 1HD1 ILE 100 7.524 4.160 2.294 640 HD13 ILE 100 2HD1 ILE 100 7.236 2.772 3.382 641 H ILE 101 H ILE 101 8.252 4.968 8.134 642 HA ILE 101 HA ILE 101 10.892 6.213 8.177 643 HB ILE 101 HB ILE 101 8.627 5.972 10.205 644 HG13 ILE 101 2HG1 ILE 101 8.171 7.375 8.211 645 HG21 ILE 101 1HG2 ILE 101 11.200 7.587 10.481 646 HG22 ILE 101 2HG2 ILE 101 9.808 7.654 11.578 647 HG23 ILE 101 3HG2 ILE 101 10.741 6.175 11.460 648 HD11 ILE 101 3HD1 ILE 101 8.798 9.328 10.437 649 HD12 ILE 101 1HD1 ILE 101 7.598 9.471 9.155 650 HD13 ILE 101 2HD1 ILE 101 7.369 8.260 10.438 651 H SER 102 H SER 102 9.718 3.045 8.668 652 HA SER 102 HA SER 102 12.033 2.298 10.349 653 HB3 SER 102 2HB SER 102 10.040 0.265 9.753 654 HG SER 102 HG SER 102 10.592 -0.148 11.810 655 H GLU 103 H GLU 103 11.526 2.761 7.106 656 HA GLU 103 HA GLU 103 12.984 0.300 6.267 657 HB3 GLU 103 2HB GLU 103 11.698 0.715 4.092 658 HG3 GLU 103 2HG GLU 103 10.298 -0.258 6.585 659 H ILE 104 H ILE 104 13.994 2.807 7.245 660 HA ILE 104 HA ILE 104 15.017 4.417 5.116 661 HB ILE 104 HB ILE 104 16.546 3.915 7.680 662 HG13 ILE 104 2HG1 ILE 104 15.343 5.602 8.942 663 HG21 ILE 104 1HG2 ILE 104 16.086 6.385 5.953 664 HG22 ILE 104 2HG2 ILE 104 17.011 6.401 7.451 665 HG23 ILE 104 3HG2 ILE 104 17.557 5.428 6.066 666 HD11 ILE 104 3HD1 ILE 104 14.224 6.850 7.042 667 HD12 ILE 104 1HD1 ILE 104 13.142 5.449 6.849 668 HD13 ILE 104 2HD1 ILE 104 13.148 6.400 8.352 Start of MODEL 7 1 H1 MET 1 H MET 1 30.168 9.354 -15.867 2 HA MET 1 HA MET 1 29.221 7.124 -14.188 3 HB3 MET 1 2HB MET 1 31.409 6.516 -15.075 4 HG3 MET 1 2HG MET 1 32.488 8.898 -13.523 5 HE1 MET 1 3HE MET 1 36.281 8.358 -14.278 6 HE2 MET 1 1HE MET 1 35.093 9.301 -15.204 7 HE3 MET 1 2HE MET 1 35.079 9.352 -13.422 8 H THR 2 H THR 2 29.370 7.532 -11.864 9 HA THR 2 HA THR 2 29.182 8.703 -10.022 10 HB THR 2 HB THR 2 31.073 10.770 -11.179 11 HG1 THR 2 1HG THR 2 32.679 9.294 -10.362 12 HG21 THR 2 3HG2 THR 2 30.726 9.586 -8.378 13 HG22 THR 2 1HG2 THR 2 30.182 11.197 -8.895 14 HG23 THR 2 2HG2 THR 2 31.911 10.826 -8.853 15 H THR 3 H THR 3 26.942 8.906 -10.864 16 HA THR 3 HA THR 3 26.126 11.651 -10.567 17 HB THR 3 HB THR 3 26.348 11.364 -13.015 18 HG1 THR 3 1HG THR 3 23.639 11.622 -12.220 19 HG21 THR 3 3HG2 THR 3 24.096 9.339 -12.889 20 HG22 THR 3 1HG2 THR 3 25.802 8.957 -13.202 21 HG23 THR 3 2HG2 THR 3 24.896 9.976 -14.339 22 H PHE 4 H PHE 4 24.107 11.677 -9.557 23 HA PHE 4 HA PHE 4 22.758 9.142 -8.931 24 HB3 PHE 4 2HB PHE 4 22.821 10.605 -7.032 25 HD1 PHE 4 2HD PHE 4 20.512 12.630 -9.234 26 HD2 PHE 4 1HD PHE 4 24.046 12.612 -6.737 27 HE1 PHE 4 2HE PHE 4 20.667 15.079 -9.424 28 HE2 PHE 4 1HE PHE 4 24.180 15.083 -6.955 29 HZ PHE 4 HZ PHE 4 22.449 16.309 -8.261 30 H ASP 5 H ASP 5 20.311 9.539 -9.339 31 HA ASP 5 HA ASP 5 19.070 11.248 -11.057 32 HB3 ASP 5 2HB ASP 5 20.228 8.861 -12.535 33 H ASP 6 H ASP 6 19.521 7.774 -10.672 34 HA ASP 6 HA ASP 6 16.879 6.867 -10.216 35 HB3 ASP 6 2HB ASP 6 18.870 5.514 -10.901 36 H ARG 7 H ARG 7 19.519 7.580 -7.949 37 HA ARG 7 HA ARG 7 17.872 6.986 -5.638 38 HB3 ARG 7 2HB ARG 7 20.168 6.285 -5.714 39 HG3 ARG 7 2HG ARG 7 21.108 9.148 -5.501 40 HD3 ARG 7 2HD ARG 7 22.441 6.938 -4.815 41 HE ARG 7 HE ARG 7 22.297 6.567 -7.637 42 HH11 ARG 7 1HH1 ARG 7 24.498 6.280 -4.900 43 HH12 ARG 7 2HH1 ARG 7 25.625 5.277 -5.716 44 HH21 ARG 7 1HH2 ARG 7 24.044 5.442 -8.855 45 HH22 ARG 7 2HH2 ARG 7 25.482 4.985 -8.022 46 H GLU 8 H GLU 8 16.779 8.375 -4.393 47 HA GLU 8 HA GLU 8 16.741 11.256 -5.085 48 HB3 GLU 8 2HB GLU 8 14.696 11.140 -3.492 49 HG3 GLU 8 2HG GLU 8 13.273 9.860 -5.193 50 H ARG 9 H ARG 9 16.250 12.538 -2.921 51 HA ARG 9 HA ARG 9 18.530 12.371 -1.189 52 HB3 ARG 9 2HB ARG 9 17.210 14.058 0.210 53 HG3 ARG 9 2HG ARG 9 17.600 14.633 -2.759 54 HD3 ARG 9 2HD ARG 9 18.308 16.900 -1.652 55 HE ARG 9 HE ARG 9 16.591 17.016 -3.220 56 HH11 ARG 9 1HH1 ARG 9 15.176 15.988 -0.164 57 HH12 ARG 9 2HH1 ARG 9 13.575 16.572 -0.570 58 HH21 ARG 9 1HH2 ARG 9 14.544 17.423 -3.844 59 HH22 ARG 9 2HH2 ARG 9 13.181 17.123 -2.832 60 H ALA 10 H ALA 10 18.138 12.421 1.172 61 HA ALA 10 HA ALA 10 17.385 9.646 1.691 62 HB1 ALA 10 1HB ALA 10 19.659 10.552 2.162 63 HB2 ALA 10 2HB ALA 10 18.966 11.514 3.495 64 HB3 ALA 10 3HB ALA 10 18.921 9.748 3.529 65 H HIS 11 H HIS 11 15.328 11.740 1.660 66 HA HIS 11 HA HIS 11 13.810 13.015 2.747 67 HB3 HIS 11 2HB HIS 11 12.884 10.647 2.472 68 HD1 HIS 11 1HD HIS 11 10.634 11.025 5.203 69 HD2 HIS 11 2HD HIS 11 14.442 9.212 4.764 70 HE1 HIS 11 1HE HIS 11 10.896 9.348 7.091 71 H GLU 12 H GLU 12 16.511 12.776 4.397 72 HA GLU 12 HA GLU 12 15.765 12.937 7.052 73 HB3 GLU 12 2HB GLU 12 18.323 14.230 6.303 74 HG3 GLU 12 2HG GLU 12 19.173 12.201 7.505 75 H ALA 13 H ALA 13 14.714 14.526 8.038 76 HA ALA 13 HA ALA 13 13.678 16.407 8.522 77 HB1 ALA 13 1HB ALA 13 16.143 17.824 7.468 78 HB2 ALA 13 2HB ALA 13 14.949 18.467 8.605 79 HB3 ALA 13 3HB ALA 13 15.965 17.104 9.084 80 H LYS 14 H LYS 14 12.998 15.370 5.810 81 HA LYS 14 HA LYS 14 12.431 17.840 4.309 82 HB3 LYS 14 2HB LYS 14 11.617 15.784 2.724 83 HG3 LYS 14 2HG LYS 14 13.283 17.534 2.264 84 HD3 LYS 14 2HD LYS 14 15.392 15.616 3.273 85 HE3 LYS 14 2HE LYS 14 15.625 17.473 1.314 86 HZ1 LYS 14 3HZ LYS 14 16.546 18.933 3.690 87 HZ2 LYS 14 1HZ LYS 14 15.059 19.248 3.023 88 HZ3 LYS 14 2HZ LYS 14 16.450 19.465 2.153 89 H PHE 15 H PHE 15 10.639 15.470 6.194 90 HA PHE 15 HA PHE 15 8.216 15.679 4.751 91 HB3 PHE 15 2HB PHE 15 7.489 14.751 7.208 92 HD1 PHE 15 2HD PHE 15 9.785 13.681 4.278 93 HD2 PHE 15 1HD PHE 15 6.653 12.584 7.093 94 HE1 PHE 15 2HE PHE 15 9.302 11.653 2.999 95 HE2 PHE 15 1HE PHE 15 6.254 10.525 5.816 96 HZ PHE 15 HZ PHE 15 7.519 10.090 3.721 97 H ALA 16 H ALA 16 9.410 18.227 6.549 98 HA ALA 16 HA ALA 16 6.646 19.154 7.178 99 HB1 ALA 16 1HB ALA 16 8.104 18.816 9.159 100 HB2 ALA 16 2HB ALA 16 9.220 20.050 8.504 101 HB3 ALA 16 3HB ALA 16 7.568 20.500 8.929 102 H HIS 17 H HIS 17 8.156 19.146 4.573 103 HA HIS 17 HA HIS 17 7.853 21.959 3.927 104 HB3 HIS 17 2HB HIS 17 10.447 20.651 3.070 105 HD1 HIS 17 1HD HIS 17 10.710 22.498 1.162 106 HD2 HIS 17 2HD HIS 17 9.759 23.965 5.012 107 HE1 HIS 17 1HE HIS 17 11.191 25.011 1.111 108 H ASP 18 H ASP 18 8.232 22.134 1.451 109 HA ASP 18 HA ASP 18 7.893 21.457 -0.728 110 HB3 ASP 18 2HB ASP 18 8.697 19.111 -1.327 111 H ALA 19 H ALA 19 6.827 19.041 -1.824 112 HA ALA 19 HA ALA 19 4.656 18.143 -0.029 113 HB1 ALA 19 1HB ALA 19 4.140 18.962 -2.928 114 HB2 ALA 19 2HB ALA 19 2.995 18.152 -1.834 115 HB3 ALA 19 3HB ALA 19 3.530 19.798 -1.474 116 H GLU 20 H GLU 20 6.625 17.627 -2.954 117 HA GLU 20 HA GLU 20 5.753 15.259 -3.857 118 HB3 GLU 20 2HB GLU 20 8.330 14.769 -4.309 119 HG3 GLU 20 2HG GLU 20 8.393 16.659 -6.007 120 H LEU 21 H LEU 21 8.228 15.432 -1.245 121 HA LEU 21 HA LEU 21 8.283 12.494 -1.069 122 HB3 LEU 21 2HB LEU 21 9.845 12.853 0.856 123 HG LEU 21 HG LEU 21 10.704 14.761 -1.302 124 HD11 LEU 21 1HD1 LEU 21 12.256 12.750 0.346 125 HD12 LEU 21 2HD1 LEU 21 12.120 14.487 0.706 126 HD13 LEU 21 3HD1 LEU 21 12.918 13.945 -0.791 127 HD21 LEU 21 3HD2 LEU 21 9.916 12.880 -2.597 128 HD22 LEU 21 1HD2 LEU 21 10.716 11.736 -1.505 129 HD23 LEU 21 2HD2 LEU 21 11.679 12.825 -2.537 130 H ASN 22 H ASN 22 6.593 15.015 0.692 131 HA ASN 22 HA ASN 22 5.745 13.408 2.953 132 HB3 ASN 22 2HB ASN 22 4.095 15.662 1.734 133 HD21 ASN 22 1HD2 ASN 22 4.492 17.076 4.332 134 HD22 ASN 22 2HD2 ASN 22 3.550 16.205 5.517 135 H PHE 23 H PHE 23 4.263 14.224 -0.225 136 HA PHE 23 HA PHE 23 1.880 12.790 0.038 137 HB3 PHE 23 2HB PHE 23 3.437 13.047 -2.535 138 HD1 PHE 23 1HD PHE 23 1.936 11.071 -3.304 139 HD2 PHE 23 2HD PHE 23 0.340 14.875 -2.044 140 HE1 PHE 23 1HE PHE 23 -0.242 10.513 -4.329 141 HE2 PHE 23 2HE PHE 23 -1.831 14.312 -3.067 142 HZ PHE 23 HZ PHE 23 -2.142 12.106 -4.207 143 H LYS 24 H LYS 24 5.123 11.571 -1.133 144 HA LYS 24 HA LYS 24 4.508 9.062 -1.872 145 HB3 LYS 24 2HB LYS 24 6.840 9.151 -0.012 146 HG3 LYS 24 2HG LYS 24 7.141 9.167 -2.973 147 HD3 LYS 24 2HD LYS 24 8.337 6.983 -2.565 148 HE3 LYS 24 2HE LYS 24 9.633 9.074 -0.816 149 HZ1 LYS 24 3HZ LYS 24 10.704 7.568 -3.139 150 HZ2 LYS 24 1HZ LYS 24 10.984 7.153 -1.555 151 HZ3 LYS 24 2HZ LYS 24 11.502 8.586 -2.181 152 H ALA 25 H ALA 25 4.793 10.187 1.477 153 HA ALA 25 HA ALA 25 4.496 7.611 2.689 154 HB1 ALA 25 1HB ALA 25 5.031 8.835 4.578 155 HB2 ALA 25 2HB ALA 25 5.174 10.243 3.513 156 HB3 ALA 25 3HB ALA 25 3.648 9.930 4.328 157 H GLU 26 H GLU 26 2.211 10.294 2.108 158 HA GLU 26 HA GLU 26 0.056 8.827 3.365 159 HB3 GLU 26 2HB GLU 26 -1.361 10.645 2.610 160 HG3 GLU 26 2HG GLU 26 -0.144 12.667 3.303 161 H ALA 27 H ALA 27 1.526 8.589 0.299 162 HA ALA 27 HA ALA 27 -0.834 7.144 -0.849 163 HB1 ALA 27 1HB ALA 27 -0.275 9.185 -2.048 164 HB2 ALA 27 2HB ALA 27 1.400 8.648 -2.253 165 HB3 ALA 27 3HB ALA 27 0.082 7.750 -3.046 166 H ARG 28 H ARG 28 0.490 5.789 0.929 167 HA ARG 28 HA ARG 28 1.937 3.692 -0.658 168 HB3 ARG 28 2HB ARG 28 2.632 3.102 1.912 169 HG3 ARG 28 2HG ARG 28 4.545 4.838 1.682 170 HD3 ARG 28 2HD ARG 28 4.410 2.731 -0.492 171 HE ARG 28 HE ARG 28 6.747 3.176 1.225 172 HH11 ARG 28 1HH1 ARG 28 5.357 3.728 -2.016 173 HH12 ARG 28 2HH1 ARG 28 6.912 3.908 -2.759 174 HH21 ARG 28 1HH2 ARG 28 8.685 3.630 0.326 175 HH22 ARG 28 2HH2 ARG 28 8.907 3.915 -1.353 176 H ARG 29 H ARG 29 -1.019 4.381 0.787 177 HA ARG 29 HA ARG 29 -1.501 2.241 2.513 178 HB3 ARG 29 2HB ARG 29 -3.881 2.544 2.134 179 HG3 ARG 29 2HG ARG 29 -2.727 5.350 1.930 180 HD3 ARG 29 2HD ARG 29 -4.488 5.836 3.595 181 HE ARG 29 HE ARG 29 -5.873 4.319 1.464 182 HH11 ARG 29 1HH1 ARG 29 -4.832 7.504 2.630 183 HH12 ARG 29 2HH1 ARG 29 -6.137 8.371 1.890 184 HH21 ARG 29 1HH2 ARG 29 -7.404 5.546 0.126 185 HH22 ARG 29 2HH2 ARG 29 -7.526 7.225 0.354 186 H ASN 30 H ASN 30 -2.257 2.287 -1.008 187 HA ASN 30 HA ASN 30 -3.431 -0.362 -0.761 188 HB3 ASN 30 2HB ASN 30 -3.662 -0.079 -3.293 189 HD21 ASN 30 1HD2 ASN 30 -5.872 -0.428 -2.853 190 HD22 ASN 30 2HD2 ASN 30 -6.843 0.855 -2.133 191 H ARG 31 H ARG 31 -0.174 0.670 -1.252 192 HA ARG 31 HA ARG 31 0.415 -1.268 -3.351 193 HB3 ARG 31 2HB ARG 31 1.467 1.002 -3.113 194 HG3 ARG 31 2HG ARG 31 2.212 0.202 -0.521 195 HD3 ARG 31 2HD ARG 31 4.568 0.305 -0.406 196 HE ARG 31 HE ARG 31 3.532 -1.747 -2.250 197 HH11 ARG 31 1HH1 ARG 31 6.185 -0.944 -0.026 198 HH12 ARG 31 2HH1 ARG 31 6.908 -2.513 -0.202 199 HH21 ARG 31 1HH2 ARG 31 4.229 -3.791 -2.164 200 HH22 ARG 31 2HH2 ARG 31 5.693 -4.228 -1.315 201 H LEU 32 H LEU 32 0.179 -1.505 -0.002 202 HA LEU 32 HA LEU 32 1.854 -3.955 0.163 203 HB3 LEU 32 2HB LEU 32 3.106 -2.272 1.181 204 HG LEU 32 HG LEU 32 1.513 -0.467 1.469 205 HD11 LEU 32 1HD1 LEU 32 -0.464 -1.640 2.272 206 HD12 LEU 32 2HD1 LEU 32 -0.028 -0.303 3.252 207 HD13 LEU 32 3HD1 LEU 32 0.344 -1.957 3.834 208 HD21 LEU 32 3HD2 LEU 32 2.772 -1.096 4.137 209 HD22 LEU 32 1HD2 LEU 32 2.262 0.491 3.525 210 HD23 LEU 32 2HD2 LEU 32 3.603 -0.377 2.748 211 H LEU 33 H LEU 33 -1.233 -3.034 0.087 212 HA LEU 33 HA LEU 33 -2.660 -4.167 2.223 213 HB3 LEU 33 2HB LEU 33 -3.202 -3.863 -0.762 214 HG LEU 33 HG LEU 33 -4.963 -5.260 0.184 215 HD11 LEU 33 1HD1 LEU 33 -6.508 -4.433 1.913 216 HD12 LEU 33 2HD1 LEU 33 -5.544 -2.969 2.114 217 HD13 LEU 33 3HD1 LEU 33 -4.890 -4.572 2.591 218 HD21 LEU 33 3HD2 LEU 33 -6.856 -3.821 -0.417 219 HD22 LEU 33 1HD2 LEU 33 -5.504 -3.549 -1.524 220 HD23 LEU 33 2HD2 LEU 33 -5.854 -2.368 -0.231 221 H GLY 34 H GLY 34 -1.200 -5.611 -0.675 222 HA2 GLY 34 1HA GLY 34 -2.069 -8.211 -0.763 223 HA3 GLY 34 2HA GLY 34 -0.393 -7.751 -0.917 224 H GLU 35 H GLU 35 0.327 -6.928 1.627 225 HA GLU 35 HA GLU 35 1.080 -9.394 2.753 226 HB3 GLU 35 2HB GLU 35 2.043 -8.005 4.554 227 HG3 GLU 35 2HG GLU 35 3.012 -5.995 3.190 228 H TRP 36 H TRP 36 -1.831 -7.486 3.334 229 HA TRP 36 HA TRP 36 -2.539 -8.690 5.887 230 HB3 TRP 36 2HB TRP 36 -4.088 -7.222 3.761 231 HD1 TRP 36 HD TRP 36 -4.889 -9.191 7.016 232 HE1 TRP 36 1HE TRP 36 -7.270 -10.065 6.861 233 HE3 TRP 36 3HE TRP 36 -6.255 -6.916 2.643 234 HZ2 TRP 36 2HZ TRP 36 -9.590 -9.640 5.143 235 HZ3 TRP 36 3HZ TRP 36 -8.604 -7.096 1.825 236 HH2 TRP 36 HH TRP 36 -10.265 -8.446 3.072 237 H ALA 37 H ALA 37 -3.931 -9.083 2.697 238 HA ALA 37 HA ALA 37 -5.376 -11.430 3.134 239 HB1 ALA 37 1HB ALA 37 -5.740 -9.882 1.236 240 HB2 ALA 37 2HB ALA 37 -4.144 -10.334 0.559 241 HB3 ALA 37 3HB ALA 37 -5.443 -11.516 0.611 242 H ALA 38 H ALA 38 -1.948 -11.126 2.175 243 HA ALA 38 HA ALA 38 -1.428 -13.570 1.069 244 HB1 ALA 38 1HB ALA 38 0.207 -11.734 1.405 245 HB2 ALA 38 2HB ALA 38 0.311 -12.150 3.138 246 HB3 ALA 38 3HB ALA 38 0.811 -13.314 1.894 247 H GLY 39 H GLY 39 -1.571 -12.958 4.645 248 HA2 GLY 39 1HA GLY 39 -0.997 -15.639 5.369 249 HA3 GLY 39 2HA GLY 39 -1.862 -14.472 6.387 250 H LEU 40 H LEU 40 -4.151 -14.114 4.574 251 HA LEU 40 HA LEU 40 -5.837 -16.211 5.341 252 HB3 LEU 40 2HB LEU 40 -7.451 -15.118 3.794 253 HG LEU 40 HG LEU 40 -7.248 -14.160 5.981 254 HD11 LEU 40 1HD1 LEU 40 -5.137 -13.467 6.418 255 HD12 LEU 40 2HD1 LEU 40 -6.029 -11.959 6.318 256 HD13 LEU 40 3HD1 LEU 40 -5.041 -12.459 4.948 257 HD21 LEU 40 3HD2 LEU 40 -7.549 -11.939 3.934 258 HD22 LEU 40 1HD2 LEU 40 -8.262 -12.003 5.563 259 HD23 LEU 40 2HD2 LEU 40 -8.803 -13.143 4.345 260 H LEU 41 H LEU 41 -4.099 -15.488 2.312 261 HA LEU 41 HA LEU 41 -4.975 -17.765 0.760 262 HB3 LEU 41 2HB LEU 41 -2.833 -17.065 -0.537 263 HG LEU 41 HG LEU 41 -5.245 -16.478 -0.988 264 HD11 LEU 41 1HD1 LEU 41 -4.372 -13.723 -0.055 265 HD12 LEU 41 2HD1 LEU 41 -5.611 -14.780 0.701 266 HD13 LEU 41 3HD1 LEU 41 -5.880 -14.128 -0.912 267 HD21 LEU 41 3HD2 LEU 41 -2.999 -14.572 -1.914 268 HD22 LEU 41 1HD2 LEU 41 -4.540 -14.821 -2.749 269 HD23 LEU 41 2HD2 LEU 41 -3.378 -16.138 -2.653 270 H GLY 42 H GLY 42 -2.935 -17.447 3.320 271 HA2 GLY 42 1HA GLY 42 -1.531 -18.934 4.476 272 HA3 GLY 42 2HA GLY 42 -1.891 -20.172 3.250 273 H LYS 43 H LYS 43 -0.534 -16.934 2.505 274 HA LYS 43 HA LYS 43 2.131 -18.137 1.936 275 HB3 LYS 43 2HB LYS 43 1.721 -17.517 -0.249 276 HG3 LYS 43 2HG LYS 43 -0.073 -15.306 0.736 277 HD3 LYS 43 2HD LYS 43 1.126 -14.603 -1.356 278 HE3 LYS 43 2HE LYS 43 -0.192 -15.609 -3.423 279 HZ1 LYS 43 3HZ LYS 43 2.179 -17.071 -2.386 280 HZ2 LYS 43 1HZ LYS 43 2.213 -15.706 -3.293 281 HZ3 LYS 43 2HZ LYS 43 1.618 -17.076 -3.906 282 H THR 44 H THR 44 3.841 -17.084 2.881 283 HA THR 44 HA THR 44 3.475 -14.384 3.977 284 HB THR 44 HB THR 44 4.716 -15.030 6.027 285 HG1 THR 44 1HG THR 44 3.837 -17.667 5.439 286 HG21 THR 44 3HG2 THR 44 2.789 -15.831 7.282 287 HG22 THR 44 1HG2 THR 44 1.956 -16.302 5.789 288 HG23 THR 44 2HG2 THR 44 2.301 -14.600 6.119 289 H GLY 45 H GLY 45 5.741 -13.649 4.640 290 HA2 GLY 45 1HA GLY 45 7.878 -13.173 3.988 291 HA3 GLY 45 2HA GLY 45 8.073 -14.904 3.685 292 H ASP 46 H ASP 46 8.772 -15.217 1.690 293 HA ASP 46 HA ASP 46 8.808 -13.085 -0.254 294 HB3 ASP 46 2HB ASP 46 9.697 -15.889 -0.921 295 H ASP 47 H ASP 47 7.080 -16.149 0.112 296 HA ASP 47 HA ASP 47 5.798 -16.256 -2.463 297 HB3 ASP 47 2HB ASP 47 4.329 -17.264 -0.145 298 H ALA 48 H ALA 48 5.150 -14.643 0.591 299 HA ALA 48 HA ALA 48 2.582 -13.489 -0.239 300 HB1 ALA 48 1HB ALA 48 2.974 -13.658 2.104 301 HB2 ALA 48 2HB ALA 48 4.463 -12.692 2.035 302 HB3 ALA 48 3HB ALA 48 2.904 -11.949 1.700 303 H ARG 49 H ARG 49 6.034 -12.320 -0.133 304 HA ARG 49 HA ARG 49 5.585 -9.728 -0.845 305 HB3 ARG 49 2HB ARG 49 7.971 -11.081 -2.056 306 HG3 ARG 49 2HG ARG 49 7.797 -8.921 0.028 307 HD3 ARG 49 2HD ARG 49 9.559 -7.853 -1.545 308 HE ARG 49 HE ARG 49 10.051 -9.589 0.496 309 HH11 ARG 49 1HH1 ARG 49 11.621 -8.816 -2.565 310 HH12 ARG 49 2HH1 ARG 49 13.147 -9.528 -2.162 311 HH21 ARG 49 1HH2 ARG 49 12.104 -10.272 1.168 312 HH22 ARG 49 2HH2 ARG 49 13.440 -10.413 0.074 313 H ALA 50 H ALA 50 6.028 -12.480 -3.128 314 HA ALA 50 HA ALA 50 5.969 -10.831 -5.454 315 HB1 ALA 50 1HB ALA 50 5.097 -13.762 -5.068 316 HB2 ALA 50 2HB ALA 50 5.394 -12.980 -6.635 317 HB3 ALA 50 3HB ALA 50 6.723 -13.185 -5.500 318 H TYR 51 H TYR 51 3.270 -12.631 -3.921 319 HA TYR 51 HA TYR 51 1.122 -11.627 -5.403 320 HB3 TYR 51 2HB TYR 51 1.413 -12.432 -2.492 321 HD1 TYR 51 1HD TYR 51 -1.286 -13.030 -5.003 322 HD2 TYR 51 2HD TYR 51 -0.243 -11.304 -1.170 323 HE1 TYR 51 1HE TYR 51 -3.669 -12.708 -4.498 324 HE2 TYR 51 2HE TYR 51 -2.568 -11.001 -0.654 325 HH TYR 51 HH TYR 51 -5.155 -12.319 -2.664 326 H ALA 52 H ALA 52 2.757 -10.109 -2.590 327 HA ALA 52 HA ALA 52 0.988 -7.966 -2.258 328 HB1 ALA 52 1HB ALA 52 2.766 -6.914 -0.956 329 HB2 ALA 52 2HB ALA 52 2.820 -8.663 -0.644 330 HB3 ALA 52 3HB ALA 52 3.995 -7.902 -1.753 331 H LEU 53 H LEU 53 3.391 -8.386 -4.725 332 HA LEU 53 HA LEU 53 3.721 -5.526 -5.192 333 HB3 LEU 53 2HB LEU 53 5.176 -6.382 -7.108 334 HG LEU 53 HG LEU 53 5.635 -7.341 -4.263 335 HD11 LEU 53 1HD1 LEU 53 7.913 -7.839 -4.781 336 HD12 LEU 53 2HD1 LEU 53 7.659 -7.486 -6.511 337 HD13 LEU 53 3HD1 LEU 53 6.830 -8.855 -5.718 338 HD21 LEU 53 3HD2 LEU 53 7.307 -5.525 -4.209 339 HD22 LEU 53 1HD2 LEU 53 5.710 -4.885 -4.581 340 HD23 LEU 53 2HD2 LEU 53 6.909 -5.086 -5.880 341 H THR 54 H THR 54 1.384 -7.848 -6.310 342 HA THR 54 HA THR 54 0.974 -6.291 -8.808 343 HB THR 54 HB THR 54 1.418 -8.589 -9.067 344 HG1 THR 54 1HG THR 54 -1.284 -8.600 -9.688 345 HG21 THR 54 3HG2 THR 54 -0.959 -9.168 -7.264 346 HG22 THR 54 1HG2 THR 54 0.727 -9.734 -7.143 347 HG23 THR 54 2HG2 THR 54 -0.288 -10.333 -8.434 348 H VAL 55 H VAL 55 -0.638 -6.885 -5.738 349 HA VAL 55 HA VAL 55 -3.177 -5.773 -6.451 350 HB VAL 55 HB VAL 55 -3.257 -7.386 -4.758 351 HG11 VAL 55 1HG1 VAL 55 -1.366 -7.933 -3.816 352 HG12 VAL 55 2HG1 VAL 55 -0.730 -6.282 -3.766 353 HG13 VAL 55 3HG1 VAL 55 -1.910 -6.831 -2.563 354 HG21 VAL 55 3HG2 VAL 55 -3.381 -4.768 -3.230 355 HG22 VAL 55 1HG2 VAL 55 -4.654 -5.383 -4.321 356 HG23 VAL 55 2HG2 VAL 55 -4.217 -6.287 -2.871 357 H VAL 56 H VAL 56 -2.781 -3.913 -7.329 358 HA VAL 56 HA VAL 56 -3.173 -1.871 -5.314 359 HB VAL 56 HB VAL 56 -0.778 -1.523 -5.853 360 HG11 VAL 56 1HG1 VAL 56 -0.862 -2.186 -8.230 361 HG12 VAL 56 2HG1 VAL 56 -1.772 -0.717 -8.608 362 HG13 VAL 56 3HG1 VAL 56 -0.099 -0.606 -7.989 363 HG21 VAL 56 3HG2 VAL 56 -2.127 0.359 -5.049 364 HG22 VAL 56 1HG2 VAL 56 -0.886 0.890 -6.172 365 HG23 VAL 56 2HG2 VAL 56 -2.559 0.798 -6.721 366 H THR 57 H THR 57 -4.739 -0.304 -6.024 367 HA THR 57 HA THR 57 -4.917 0.195 -8.820 368 HB THR 57 HB THR 57 -6.469 -1.368 -9.215 369 HG1 THR 57 1HG THR 57 -8.485 0.328 -8.412 370 HG21 THR 57 3HG2 THR 57 -6.875 -2.435 -7.173 371 HG22 THR 57 1HG2 THR 57 -8.459 -1.883 -7.720 372 HG23 THR 57 2HG2 THR 57 -7.577 -0.993 -6.441 373 H SER 58 H SER 58 -7.460 1.052 -6.402 374 HA SER 58 HA SER 58 -6.115 3.613 -5.821 375 HB3 SER 58 2HB SER 58 -8.480 3.244 -7.657 376 HG SER 58 HG SER 58 -8.015 5.705 -6.289 377 H ASP 59 H ASP 59 -9.633 2.936 -5.668 378 HA ASP 59 HA ASP 59 -9.800 2.166 -2.904 379 HB3 ASP 59 2HB ASP 59 -10.868 4.655 -2.619 380 H PHE 60 H PHE 60 -12.149 2.902 -2.232 381 HA PHE 60 HA PHE 60 -14.061 2.328 -4.426 382 HB3 PHE 60 2HB PHE 60 -14.562 0.695 -3.077 383 HD1 PHE 60 1HD PHE 60 -13.723 3.363 -0.517 384 HD2 PHE 60 2HD PHE 60 -13.598 -0.785 -1.623 385 HE1 PHE 60 1HE PHE 60 -12.339 2.886 1.473 386 HE2 PHE 60 2HE PHE 60 -12.265 -1.303 0.397 387 HZ PHE 60 HZ PHE 60 -11.499 0.602 1.883 388 H ASP 61 H ASP 61 -13.865 4.684 -5.094 389 HA ASP 61 HA ASP 61 -14.650 6.642 -3.112 390 HB3 ASP 61 2HB ASP 61 -15.046 7.396 -5.962 391 H GLU 62 H GLU 62 -16.467 4.600 -5.412 392 HA GLU 62 HA GLU 62 -18.911 5.165 -3.951 393 HB3 GLU 62 2HB GLU 62 -19.955 5.261 -6.467 394 HG3 GLU 62 2HG GLU 62 -20.084 7.705 -6.388 395 HA PRO 63 HA PRO 63 -19.395 0.821 -4.896 396 HB3 PRO 63 2HB PRO 63 -21.318 0.873 -3.576 397 HG3 PRO 63 2HG PRO 63 -22.933 2.616 -3.811 398 HD3 PRO 63 2HD PRO 63 -20.879 3.701 -3.370 399 H GLY 64 H GLY 64 -20.430 -0.794 -6.501 400 HA2 GLY 64 1HA GLY 64 -21.159 0.136 -9.114 401 HA3 GLY 64 2HA GLY 64 -19.458 -0.353 -9.033 402 H ASP 65 H ASP 65 -18.996 -2.487 -9.227 403 HA ASP 65 HA ASP 65 -20.551 -4.663 -8.283 404 HB3 ASP 65 2HB ASP 65 -20.690 -4.150 -11.272 405 H GLU 66 H GLU 66 -18.575 -5.064 -7.326 406 HA GLU 66 HA GLU 66 -16.424 -5.628 -6.985 407 HB3 GLU 66 2HB GLU 66 -16.155 -7.309 -9.393 408 HG3 GLU 66 2HG GLU 66 -15.196 -7.435 -6.878 409 H ASP 67 H ASP 67 -15.412 -3.552 -7.226 410 HA ASP 67 HA ASP 67 -13.776 -3.363 -9.741 411 HB3 ASP 67 2HB ASP 67 -14.126 -0.739 -8.531 412 H VAL 68 H VAL 68 -13.244 -1.303 -6.798 413 HA VAL 68 HA VAL 68 -10.509 -1.979 -6.846 414 HB VAL 68 HB VAL 68 -11.411 0.043 -5.815 415 HG11 VAL 68 1HG1 VAL 68 -12.222 -1.617 -3.427 416 HG12 VAL 68 2HG1 VAL 68 -12.276 0.142 -3.588 417 HG13 VAL 68 3HG1 VAL 68 -13.343 -0.848 -4.589 418 HG21 VAL 68 3HG2 VAL 68 -9.965 0.071 -3.729 419 HG22 VAL 68 1HG2 VAL 68 -9.603 -1.625 -4.043 420 HG23 VAL 68 2HG2 VAL 68 -9.181 -0.370 -5.224 421 H PHE 69 H PHE 69 -13.180 -3.541 -5.189 422 HA PHE 69 HA PHE 69 -11.545 -5.380 -3.706 423 HB3 PHE 69 2HB PHE 69 -13.360 -5.259 -2.462 424 HD1 PHE 69 1HD PHE 69 -13.899 -2.853 -2.653 425 HD2 PHE 69 2HD PHE 69 -15.945 -5.852 -4.947 426 HE1 PHE 69 1HE PHE 69 -15.666 -1.206 -3.225 427 HE2 PHE 69 2HE PHE 69 -17.705 -4.195 -5.519 428 HZ PHE 69 HZ PHE 69 -17.532 -1.847 -4.679 429 H ARG 70 H ARG 70 -12.572 -5.553 -7.060 430 HA ARG 70 HA ARG 70 -13.307 -8.259 -7.126 431 HB3 ARG 70 2HB ARG 70 -11.921 -6.587 -9.250 432 HG3 ARG 70 2HG ARG 70 -13.536 -9.183 -9.544 433 HD3 ARG 70 2HD ARG 70 -12.722 -6.956 -11.379 434 HE ARG 70 HE ARG 70 -12.506 -9.788 -12.115 435 HH11 ARG 70 1HH1 ARG 70 -13.100 -6.544 -13.383 436 HH12 ARG 70 2HH1 ARG 70 -12.267 -6.792 -14.881 437 HH21 ARG 70 1HH2 ARG 70 -11.418 -10.183 -14.143 438 HH22 ARG 70 2HH2 ARG 70 -11.341 -8.946 -15.347 439 H LYS 71 H LYS 71 -9.956 -7.128 -7.712 440 HA LYS 71 HA LYS 71 -9.068 -9.893 -8.053 441 HB3 LYS 71 2HB LYS 71 -6.778 -8.761 -8.080 442 HG3 LYS 71 2HG LYS 71 -8.084 -9.235 -10.170 443 HD3 LYS 71 2HD LYS 71 -8.749 -6.264 -9.936 444 HE3 LYS 71 2HE LYS 71 -8.775 -8.155 -12.323 445 HZ1 LYS 71 3HZ LYS 71 -10.586 -6.627 -12.597 446 HZ2 LYS 71 1HZ LYS 71 -9.358 -6.130 -13.552 447 HZ3 LYS 71 2HZ LYS 71 -9.665 -5.340 -12.151 448 H LEU 72 H LEU 72 -10.071 -8.470 -5.293 449 HA LEU 72 HA LEU 72 -7.949 -9.495 -3.519 450 HB3 LEU 72 2HB LEU 72 -10.066 -7.291 -3.231 451 HG LEU 72 HG LEU 72 -9.703 -8.035 -0.994 452 HD11 LEU 72 1HD1 LEU 72 -6.758 -7.973 -1.724 453 HD12 LEU 72 2HD1 LEU 72 -7.707 -9.398 -1.257 454 HD13 LEU 72 3HD1 LEU 72 -7.374 -8.136 -0.051 455 HD21 LEU 72 3HD2 LEU 72 -8.586 -5.996 -0.100 456 HD22 LEU 72 1HD2 LEU 72 -9.633 -5.599 -1.479 457 HD23 LEU 72 2HD2 LEU 72 -7.870 -5.673 -1.693 458 H ALA 73 H ALA 73 -11.417 -8.795 -3.593 459 HA ALA 73 HA ALA 73 -12.376 -10.563 -1.632 460 HB1 ALA 73 1HB ALA 73 -13.712 -8.716 -2.664 461 HB2 ALA 73 2HB ALA 73 -13.803 -9.648 -4.166 462 HB3 ALA 73 3HB ALA 73 -14.572 -10.245 -2.693 463 H ALA 74 H ALA 74 -11.843 -11.165 -5.143 464 HA ALA 74 HA ALA 74 -12.940 -13.835 -5.047 465 HB1 ALA 74 1HB ALA 74 -12.078 -13.973 -7.313 466 HB2 ALA 74 2HB ALA 74 -12.794 -12.366 -7.046 467 HB3 ALA 74 3HB ALA 74 -11.030 -12.558 -7.068 468 H ASP 75 H ASP 75 -9.728 -12.525 -4.396 469 HA ASP 75 HA ASP 75 -8.433 -15.194 -4.424 470 HB3 ASP 75 2HB ASP 75 -6.701 -13.320 -3.208 471 H LEU 76 H LEU 76 -10.356 -13.342 -2.427 472 HA LEU 76 HA LEU 76 -9.616 -14.781 0.050 473 HB3 LEU 76 2HB LEU 76 -10.745 -12.848 1.223 474 HG LEU 76 HG LEU 76 -8.384 -11.963 -0.507 475 HD11 LEU 76 1HD1 LEU 76 -9.392 -11.007 2.208 476 HD12 LEU 76 2HD1 LEU 76 -9.645 -10.155 0.668 477 HD13 LEU 76 3HD1 LEU 76 -8.010 -10.365 1.306 478 HD21 LEU 76 3HD2 LEU 76 -7.091 -12.640 1.585 479 HD22 LEU 76 1HD2 LEU 76 -7.714 -13.969 0.621 480 HD23 LEU 76 2HD2 LEU 76 -8.548 -13.502 2.107 481 H GLU 77 H GLU 77 -11.213 -15.924 -2.017 482 HA GLU 77 HA GLU 77 -13.979 -15.785 -1.615 483 HB3 GLU 77 2HB GLU 77 -12.288 -18.208 -2.391 484 HG3 GLU 77 2HG GLU 77 -15.138 -17.389 -3.050 485 H GLY 78 H GLY 78 -14.962 -15.953 0.321 486 HA2 GLY 78 1HA GLY 78 -15.843 -17.082 2.132 487 HA3 GLY 78 2HA GLY 78 -14.595 -18.308 2.022 488 H LYS 79 H LYS 79 -13.159 -15.247 1.961 489 HA LYS 79 HA LYS 79 -12.429 -15.507 4.862 490 HB3 LYS 79 2HB LYS 79 -10.081 -15.124 4.182 491 HG3 LYS 79 2HG LYS 79 -11.388 -17.459 2.721 492 HD3 LYS 79 2HD LYS 79 -9.213 -18.606 3.064 493 HE3 LYS 79 2HE LYS 79 -7.888 -17.398 1.325 494 HZ1 LYS 79 3HZ LYS 79 -9.650 -17.484 -0.404 495 HZ2 LYS 79 1HZ LYS 79 -10.802 -17.722 0.743 496 HZ3 LYS 79 2HZ LYS 79 -9.580 -18.789 0.510 497 H ALA 80 H ALA 80 -13.893 -13.396 2.771 498 HA ALA 80 HA ALA 80 -13.355 -11.211 4.588 499 HB1 ALA 80 1HB ALA 80 -12.845 -9.576 2.785 500 HB2 ALA 80 2HB ALA 80 -11.618 -10.849 2.855 501 HB3 ALA 80 3HB ALA 80 -12.846 -10.888 1.585 502 H ASP 81 H ASP 81 -14.757 -9.236 3.333 503 HA ASP 81 HA ASP 81 -17.101 -10.116 1.999 504 HB3 ASP 81 2HB ASP 81 -18.600 -8.712 3.484 505 H GLU 82 H GLU 82 -18.235 -8.017 1.396 506 HA GLU 82 HA GLU 82 -16.479 -6.216 0.137 507 HB3 GLU 82 2HB GLU 82 -18.582 -4.790 -0.032 508 HG3 GLU 82 2HG GLU 82 -18.699 -7.707 -0.896 509 H GLU 83 H GLU 83 -18.288 -5.773 3.260 510 HA GLU 83 HA GLU 83 -17.011 -3.189 3.637 511 HB3 GLU 83 2HB GLU 83 -18.673 -4.668 5.691 512 HG3 GLU 83 2HG GLU 83 -17.517 -1.945 5.412 513 H THR 84 H THR 84 -16.295 -6.498 4.645 514 HA THR 84 HA THR 84 -14.455 -5.837 6.761 515 HB THR 84 HB THR 84 -14.625 -8.160 4.833 516 HG1 THR 84 1HG THR 84 -15.538 -8.152 7.503 517 HG21 THR 84 3HG2 THR 84 -13.447 -9.502 6.513 518 HG22 THR 84 1HG2 THR 84 -13.187 -8.049 7.507 519 HG23 THR 84 2HG2 THR 84 -12.426 -8.181 5.906 520 H ILE 85 H ILE 85 -14.137 -6.134 3.162 521 HA ILE 85 HA ILE 85 -11.337 -5.550 3.078 522 HB ILE 85 HB ILE 85 -13.514 -4.970 1.030 523 HG13 ILE 85 2HG1 ILE 85 -12.971 -7.420 1.682 524 HG21 ILE 85 1HG2 ILE 85 -10.504 -4.824 0.719 525 HG22 ILE 85 2HG2 ILE 85 -11.683 -4.721 -0.620 526 HG23 ILE 85 3HG2 ILE 85 -11.638 -3.470 0.601 527 HD11 ILE 85 3HD1 ILE 85 -12.850 -8.314 -0.498 528 HD12 ILE 85 1HD1 ILE 85 -13.843 -6.841 -0.600 529 HD13 ILE 85 2HD1 ILE 85 -12.153 -6.832 -1.168 530 H ARG 86 H ARG 86 -14.216 -3.280 2.924 531 HA ARG 86 HA ARG 86 -12.432 -1.102 2.655 532 HB3 ARG 86 2HB ARG 86 -14.921 -1.102 2.064 533 HG3 ARG 86 2HG ARG 86 -15.328 -1.446 4.767 534 HD3 ARG 86 2HD ARG 86 -16.415 1.273 4.373 535 HE ARG 86 HE ARG 86 -15.524 -0.355 6.709 536 HH11 ARG 86 1HH1 ARG 86 -17.842 2.095 5.439 537 HH12 ARG 86 2HH1 ARG 86 -18.713 2.119 6.915 538 HH21 ARG 86 1HH2 ARG 86 -16.708 -0.108 8.707 539 HH22 ARG 86 2HH2 ARG 86 -18.069 0.951 8.733 540 H ALA 87 H ALA 87 -13.636 -2.706 5.537 541 HA ALA 87 HA ALA 87 -12.638 -0.816 7.385 542 HB1 ALA 87 1HB ALA 87 -12.626 -2.726 8.980 543 HB2 ALA 87 2HB ALA 87 -14.140 -2.642 8.063 544 HB3 ALA 87 3HB ALA 87 -12.904 -3.854 7.650 545 H LYS 88 H LYS 88 -11.123 -3.792 5.963 546 HA LYS 88 HA LYS 88 -8.727 -3.534 7.364 547 HB3 LYS 88 2HB LYS 88 -8.339 -4.723 4.689 548 HG3 LYS 88 2HG LYS 88 -7.104 -5.075 7.040 549 HD3 LYS 88 2HD LYS 88 -8.043 -7.542 7.651 550 HE3 LYS 88 2HE LYS 88 -9.646 -6.424 9.372 551 HZ1 LYS 88 3HZ LYS 88 -6.727 -5.985 9.392 552 HZ2 LYS 88 1HZ LYS 88 -7.570 -7.220 10.112 553 HZ3 LYS 88 2HZ LYS 88 -7.690 -5.661 10.643 554 H MET 89 H MET 89 -9.425 -2.233 4.083 555 HA MET 89 HA MET 89 -6.779 -1.294 3.586 556 HB3 MET 89 2HB MET 89 -7.731 0.235 1.988 557 HG3 MET 89 2HG MET 89 -9.267 -2.340 1.799 558 HE1 MET 89 3HE MET 89 -10.078 -2.457 -1.816 559 HE2 MET 89 1HE MET 89 -8.298 -2.563 -1.723 560 HE3 MET 89 2HE MET 89 -9.304 -3.328 -0.476 561 H VAL 90 H VAL 90 -9.202 -0.072 5.840 562 HA VAL 90 HA VAL 90 -7.917 2.567 6.037 563 HB VAL 90 HB VAL 90 -10.503 1.427 7.166 564 HG11 VAL 90 1HG1 VAL 90 -11.094 3.764 7.734 565 HG12 VAL 90 2HG1 VAL 90 -9.668 3.237 8.626 566 HG13 VAL 90 3HG1 VAL 90 -9.476 4.314 7.225 567 HG21 VAL 90 3HG2 VAL 90 -10.359 1.858 4.612 568 HG22 VAL 90 1HG2 VAL 90 -11.642 2.649 5.482 569 HG23 VAL 90 2HG2 VAL 90 -10.177 3.566 5.006 570 H GLU 91 H GLU 91 -8.243 -0.497 7.870 571 HA GLU 91 HA GLU 91 -7.250 0.408 10.355 572 HB3 GLU 91 2HB GLU 91 -6.040 -1.868 10.367 573 HG3 GLU 91 2HG GLU 91 -9.034 -2.119 10.049 574 H LEU 92 H LEU 92 -5.488 -0.865 7.545 575 HA LEU 92 HA LEU 92 -2.868 -0.196 8.593 576 HB3 LEU 92 2HB LEU 92 -3.248 -2.146 7.292 577 HG LEU 92 HG LEU 92 -4.854 -0.903 5.522 578 HD11 LEU 92 1HD1 LEU 92 -3.166 0.586 4.542 579 HD12 LEU 92 2HD1 LEU 92 -3.631 -0.652 3.356 580 HD13 LEU 92 3HD1 LEU 92 -2.109 -0.808 4.247 581 HD21 LEU 92 3HD2 LEU 92 -4.376 -3.363 5.669 582 HD22 LEU 92 1HD2 LEU 92 -2.932 -3.103 4.658 583 HD23 LEU 92 2HD2 LEU 92 -4.538 -2.751 4.015 584 H ARG 93 H ARG 93 -5.068 2.044 7.728 585 HA ARG 93 HA ARG 93 -3.886 3.498 5.618 586 HB3 ARG 93 2HB ARG 93 -5.655 4.308 7.943 587 HG3 ARG 93 2HG ARG 93 -4.665 6.050 5.700 588 HD3 ARG 93 2HD ARG 93 -7.429 5.903 6.920 589 HE ARG 93 HE ARG 93 -6.739 8.462 5.736 590 HH11 ARG 93 1HH1 ARG 93 -6.961 6.684 8.804 591 HH12 ARG 93 2HH1 ARG 93 -6.946 8.098 9.790 592 HH21 ARG 93 1HH2 ARG 93 -6.645 10.394 7.118 593 HH22 ARG 93 2HH2 ARG 93 -6.789 10.176 8.818 594 H ALA 94 H ALA 94 -3.235 3.905 9.178 595 HA ALA 94 HA ALA 94 -1.442 6.112 8.724 596 HB1 ALA 94 1HB ALA 94 -1.648 4.224 11.105 597 HB2 ALA 94 2HB ALA 94 -0.768 5.761 11.058 598 HB3 ALA 94 3HB ALA 94 -2.535 5.751 10.891 599 H THR 95 H THR 95 -0.994 2.599 8.862 600 HA THR 95 HA THR 95 1.711 2.281 9.129 601 HB THR 95 HB THR 95 -0.103 0.766 7.196 602 HG1 THR 95 1HG THR 95 -0.801 0.847 9.441 603 HG21 THR 95 3HG2 THR 95 1.416 -1.147 7.601 604 HG22 THR 95 1HG2 THR 95 2.560 -0.050 8.406 605 HG23 THR 95 2HG2 THR 95 2.164 0.153 6.676 606 H ALA 96 H ALA 96 0.012 3.439 6.211 607 HA ALA 96 HA ALA 96 1.972 3.210 4.323 608 HB1 ALA 96 1HB ALA 96 -0.330 3.869 3.844 609 HB2 ALA 96 2HB ALA 96 -0.141 5.394 4.745 610 HB3 ALA 96 3HB ALA 96 0.692 5.152 3.224 611 H ARG 97 H ARG 97 1.668 5.921 6.639 612 HA ARG 97 HA ARG 97 4.046 7.167 5.381 613 HB3 ARG 97 2HB ARG 97 2.392 8.768 5.977 614 HG3 ARG 97 2HG ARG 97 2.499 7.691 8.831 615 HD3 ARG 97 2HD ARG 97 1.446 10.287 7.663 616 HE ARG 97 HE ARG 97 0.653 9.320 10.357 617 HH11 ARG 97 1HH1 ARG 97 -0.396 10.536 7.113 618 HH12 ARG 97 2HH1 ARG 97 -2.034 10.686 7.659 619 HH21 ARG 97 1HH2 ARG 97 -1.634 9.253 10.835 620 HH22 ARG 97 2HH2 ARG 97 -2.742 9.829 9.637 621 H GLU 98 H GLU 98 3.181 5.307 8.293 622 HA GLU 98 HA GLU 98 5.478 5.771 9.802 623 HB3 GLU 98 2HB GLU 98 4.737 3.408 10.650 624 HG3 GLU 98 2HG GLU 98 2.888 5.828 10.763 625 H GLN 99 H GLN 99 4.758 3.333 7.262 626 HA GLN 99 HA GLN 99 7.034 1.818 7.195 627 HB3 GLN 99 2HB GLN 99 6.450 1.850 4.634 628 HG3 GLN 99 2HG GLN 99 4.253 0.673 5.180 629 HE21 GLN 99 1HE2 GLN 99 5.390 -0.711 7.976 630 HE22 GLN 99 2HE2 GLN 99 6.320 -1.957 7.169 631 H ILE 100 H ILE 100 6.638 5.026 5.531 632 HA ILE 100 HA ILE 100 9.243 5.010 4.335 633 HB ILE 100 HB ILE 100 7.759 7.465 5.319 634 HG13 ILE 100 2HG1 ILE 100 6.670 7.747 3.213 635 HG21 ILE 100 1HG2 ILE 100 9.806 7.034 3.117 636 HG22 ILE 100 2HG2 ILE 100 8.918 8.538 3.309 637 HG23 ILE 100 3HG2 ILE 100 10.007 7.986 4.587 638 HD11 ILE 100 3HD1 ILE 100 6.430 6.024 1.531 639 HD12 ILE 100 1HD1 ILE 100 8.110 6.517 1.648 640 HD13 ILE 100 2HD1 ILE 100 7.586 4.979 2.395 641 H ILE 101 H ILE 101 7.998 6.271 7.400 642 HA ILE 101 HA ILE 101 10.466 7.401 8.377 643 HB ILE 101 HB ILE 101 7.694 6.784 9.497 644 HG13 ILE 101 2HG1 ILE 101 7.976 8.579 7.698 645 HG21 ILE 101 1HG2 ILE 101 9.940 8.271 10.911 646 HG22 ILE 101 2HG2 ILE 101 8.234 8.295 11.427 647 HG23 ILE 101 3HG2 ILE 101 9.109 6.782 11.440 648 HD11 ILE 101 3HD1 ILE 101 6.621 10.252 8.662 649 HD12 ILE 101 1HD1 ILE 101 6.100 8.705 9.366 650 HD13 ILE 101 2HD1 ILE 101 7.102 9.830 10.308 651 H SER 102 H SER 102 9.516 4.191 8.000 652 HA SER 102 HA SER 102 11.177 3.224 10.242 653 HB3 SER 102 2HB SER 102 9.915 1.253 8.464 654 HG SER 102 HG SER 102 9.323 0.425 10.302 655 H GLU 103 H GLU 103 11.334 3.863 6.802 656 HA GLU 103 HA GLU 103 13.665 2.034 6.427 657 HB3 GLU 103 2HB GLU 103 12.732 1.552 4.177 658 HG3 GLU 103 2HG GLU 103 10.987 0.756 6.551 659 H ILE 104 H ILE 104 13.945 4.444 7.214 660 HA ILE 104 HA ILE 104 14.072 6.697 5.666 661 HB ILE 104 HB ILE 104 15.975 5.721 7.842 662 HG13 ILE 104 2HG1 ILE 104 13.689 5.489 8.638 663 HG21 ILE 104 1HG2 ILE 104 15.233 8.617 7.209 664 HG22 ILE 104 2HG2 ILE 104 16.498 8.011 8.300 665 HG23 ILE 104 3HG2 ILE 104 16.661 7.800 6.559 666 HD11 ILE 104 3HD1 ILE 104 14.601 8.148 9.741 667 HD12 ILE 104 1HD1 ILE 104 13.476 6.998 10.471 668 HD13 ILE 104 2HD1 ILE 104 15.185 6.561 10.286 Start of MODEL 8 1 H1 MET 1 H MET 1 21.155 8.243 -14.983 2 HA MET 1 HA MET 1 19.772 6.940 -13.489 3 HB3 MET 1 2HB MET 1 18.987 7.048 -15.742 4 HG3 MET 1 2HG MET 1 20.770 4.648 -16.286 5 HE1 MET 1 3HE MET 1 20.190 5.292 -19.622 6 HE2 MET 1 1HE MET 1 20.848 3.830 -18.869 7 HE3 MET 1 2HE MET 1 19.402 3.733 -19.904 8 H THR 2 H THR 2 22.531 4.959 -14.821 9 HA THR 2 HA THR 2 21.397 2.659 -13.433 10 HB THR 2 HB THR 2 22.416 2.935 -15.830 11 HG1 THR 2 1HG THR 2 21.796 1.000 -15.240 12 HG21 THR 2 3HG2 THR 2 24.985 2.247 -14.360 13 HG22 THR 2 1HG2 THR 2 24.649 3.835 -15.084 14 HG23 THR 2 2HG2 THR 2 24.730 2.394 -16.096 15 H THR 3 H THR 3 24.105 4.954 -13.002 16 HA THR 3 HA THR 3 25.258 3.552 -10.725 17 HB THR 3 HB THR 3 26.649 5.752 -10.848 18 HG1 THR 3 1HG THR 3 25.605 7.079 -12.146 19 HG21 THR 3 3HG2 THR 3 28.032 4.901 -12.686 20 HG22 THR 3 1HG2 THR 3 26.708 3.846 -13.235 21 HG23 THR 3 2HG2 THR 3 27.480 3.573 -11.660 22 H PHE 4 H PHE 4 24.096 3.761 -8.806 23 HA PHE 4 HA PHE 4 23.348 6.433 -7.941 24 HB3 PHE 4 2HB PHE 4 21.308 5.745 -9.004 25 HD1 PHE 4 2HD PHE 4 21.113 3.422 -6.055 26 HD2 PHE 4 1HD PHE 4 20.926 3.781 -10.355 27 HE1 PHE 4 2HE PHE 4 20.142 1.181 -6.199 28 HE2 PHE 4 1HE PHE 4 19.926 1.530 -10.501 29 HZ PHE 4 HZ PHE 4 19.494 0.215 -8.416 30 H ASP 5 H ASP 5 22.427 6.122 -5.560 31 HA ASP 5 HA ASP 5 23.773 3.885 -4.193 32 HB3 ASP 5 2HB ASP 5 23.975 6.700 -3.099 33 H ASP 6 H ASP 6 23.081 4.137 -1.756 34 HA ASP 6 HA ASP 6 20.119 4.506 -1.661 35 HB3 ASP 6 2HB ASP 6 20.590 2.133 -1.913 36 H ARG 7 H ARG 7 23.264 4.559 0.131 37 HA ARG 7 HA ARG 7 21.860 5.538 2.551 38 HB3 ARG 7 2HB ARG 7 23.462 3.781 2.847 39 HG3 ARG 7 2HG ARG 7 25.519 5.670 1.664 40 HD3 ARG 7 2HD ARG 7 25.989 2.991 3.028 41 HE ARG 7 HE ARG 7 27.721 5.003 1.709 42 HH11 ARG 7 1HH1 ARG 7 27.498 1.710 2.898 43 HH12 ARG 7 2HH1 ARG 7 29.204 1.415 2.903 44 HH21 ARG 7 1HH2 ARG 7 29.998 4.731 1.913 45 HH22 ARG 7 2HH2 ARG 7 30.659 3.140 2.100 46 H GLU 8 H GLU 8 21.646 7.144 0.269 47 HA GLU 8 HA GLU 8 23.445 9.453 0.821 48 HB3 GLU 8 2HB GLU 8 22.252 8.489 -1.796 49 HG3 GLU 8 2HG GLU 8 23.992 10.867 -1.018 50 H ARG 9 H ARG 9 20.049 8.555 0.794 51 HA ARG 9 HA ARG 9 19.405 11.386 1.393 52 HB3 ARG 9 2HB ARG 9 17.096 10.648 1.494 53 HG3 ARG 9 2HG ARG 9 18.428 9.461 -0.993 54 HD3 ARG 9 2HD ARG 9 16.164 10.182 -1.972 55 HE ARG 9 HE ARG 9 16.975 7.764 -0.699 56 HH11 ARG 9 1HH1 ARG 9 14.045 9.094 -2.254 57 HH12 ARG 9 2HH1 ARG 9 13.582 7.536 -2.886 58 HH21 ARG 9 1HH2 ARG 9 16.474 5.919 -1.598 59 HH22 ARG 9 2HH2 ARG 9 15.081 5.664 -2.612 60 H ALA 10 H ALA 10 18.181 11.603 3.395 61 HA ALA 10 HA ALA 10 18.441 9.720 5.554 62 HB1 ALA 10 1HB ALA 10 20.204 12.215 5.673 63 HB2 ALA 10 2HB ALA 10 19.914 11.067 7.009 64 HB3 ALA 10 3HB ALA 10 20.762 10.535 5.543 65 H HIS 11 H HIS 11 16.126 10.295 5.138 66 HA HIS 11 HA HIS 11 15.222 13.025 5.480 67 HB3 HIS 11 2HB HIS 11 14.140 11.696 3.880 68 HD1 HIS 11 1HD HIS 11 12.307 9.696 3.305 69 HD2 HIS 11 2HD HIS 11 14.574 9.351 6.853 70 HE1 HIS 11 1HE HIS 11 12.307 7.235 3.959 71 H GLU 12 H GLU 12 16.327 11.351 7.965 72 HA GLU 12 HA GLU 12 14.447 10.469 9.594 73 HB3 GLU 12 2HB GLU 12 16.714 10.158 10.131 74 HG3 GLU 12 2HG GLU 12 16.811 13.138 10.371 75 H ALA 13 H ALA 13 15.239 13.966 9.719 76 HA ALA 13 HA ALA 13 12.474 14.383 10.787 77 HB1 ALA 13 1HB ALA 13 14.966 15.968 11.538 78 HB2 ALA 13 2HB ALA 13 13.309 16.281 12.085 79 HB3 ALA 13 3HB ALA 13 14.133 14.788 12.576 80 H LYS 14 H LYS 14 14.389 14.737 8.130 81 HA LYS 14 HA LYS 14 14.228 17.502 7.491 82 HB3 LYS 14 2HB LYS 14 14.726 16.783 5.163 83 HG3 LYS 14 2HG LYS 14 16.448 15.035 6.934 84 HD3 LYS 14 2HD LYS 14 16.819 15.614 4.376 85 HE3 LYS 14 2HE LYS 14 18.412 17.907 5.501 86 HZ1 LYS 14 3HZ LYS 14 18.441 17.251 3.084 87 HZ2 LYS 14 1HZ LYS 14 18.082 18.810 3.366 88 HZ3 LYS 14 2HZ LYS 14 16.848 17.796 3.016 89 H PHE 15 H PHE 15 11.751 15.155 7.326 90 HA PHE 15 HA PHE 15 10.252 15.648 5.071 91 HB3 PHE 15 2HB PHE 15 8.480 15.357 7.334 92 HD1 PHE 15 1HD PHE 15 10.896 13.115 5.483 93 HD2 PHE 15 2HD PHE 15 6.807 13.947 6.620 94 HE1 PHE 15 1HE PHE 15 10.187 10.885 4.666 95 HE2 PHE 15 2HE PHE 15 6.099 11.747 5.742 96 HZ PHE 15 HZ PHE 15 7.777 10.207 4.812 97 H ALA 16 H ALA 16 10.362 17.674 7.972 98 HA ALA 16 HA ALA 16 7.952 19.145 7.416 99 HB1 ALA 16 1HB ALA 16 8.741 20.563 9.226 100 HB2 ALA 16 2HB ALA 16 9.034 18.879 9.656 101 HB3 ALA 16 3HB ALA 16 10.382 19.898 9.103 102 H HIS 17 H HIS 17 11.071 19.241 6.087 103 HA HIS 17 HA HIS 17 10.835 21.912 4.839 104 HB3 HIS 17 2HB HIS 17 13.440 20.457 5.146 105 HD1 HIS 17 1HD HIS 17 14.078 22.690 3.393 106 HD2 HIS 17 2HD HIS 17 13.064 23.419 7.429 107 HE1 HIS 17 1HE HIS 17 15.018 24.952 3.973 108 H ASP 18 H ASP 18 12.610 21.428 2.731 109 HA ASP 18 HA ASP 18 12.879 20.425 0.732 110 HB3 ASP 18 2HB ASP 18 13.094 17.915 0.704 111 H ALA 19 H ALA 19 11.748 18.330 -0.617 112 HA ALA 19 HA ALA 19 8.833 18.446 -0.242 113 HB1 ALA 19 1HB ALA 19 9.180 20.335 -1.790 114 HB2 ALA 19 2HB ALA 19 10.144 19.282 -2.875 115 HB3 ALA 19 3HB ALA 19 8.422 18.966 -2.636 116 H GLU 20 H GLU 20 11.538 17.246 -2.303 117 HA GLU 20 HA GLU 20 10.119 15.138 -3.467 118 HB3 GLU 20 2HB GLU 20 13.095 15.234 -2.844 119 HG3 GLU 20 2HG GLU 20 11.480 13.934 -5.067 120 H LEU 21 H LEU 21 11.714 15.263 -0.319 121 HA LEU 21 HA LEU 21 11.595 12.420 0.202 122 HB3 LEU 21 2HB LEU 21 12.151 13.059 2.523 123 HG LEU 21 HG LEU 21 13.744 14.682 0.487 124 HD11 LEU 21 1HD1 LEU 21 14.097 15.536 2.748 125 HD12 LEU 21 2HD1 LEU 21 15.536 14.708 2.149 126 HD13 LEU 21 3HD1 LEU 21 14.480 13.899 3.330 127 HD21 LEU 21 3HD2 LEU 21 13.832 12.298 -0.055 128 HD22 LEU 21 1HD2 LEU 21 14.250 11.894 1.622 129 HD23 LEU 21 2HD2 LEU 21 15.380 12.823 0.609 130 H ASN 22 H ASN 22 9.481 15.197 0.978 131 HA ASN 22 HA ASN 22 7.497 13.746 2.479 132 HB3 ASN 22 2HB ASN 22 7.088 16.243 0.762 133 HD21 ASN 22 1HD2 ASN 22 6.120 17.721 3.000 134 HD22 ASN 22 2HD2 ASN 22 4.491 17.103 3.278 135 H PHE 23 H PHE 23 7.852 14.610 -1.000 136 HA PHE 23 HA PHE 23 5.508 13.444 -2.008 137 HB3 PHE 23 2HB PHE 23 8.174 13.332 -3.449 138 HD1 PHE 23 1HD PHE 23 6.552 11.368 -4.525 139 HD2 PHE 23 2HD PHE 23 5.975 15.643 -4.917 140 HE1 PHE 23 1HE PHE 23 5.166 11.010 -6.528 141 HE2 PHE 23 2HE PHE 23 4.665 15.243 -6.987 142 HZ PHE 23 HZ PHE 23 4.258 12.934 -7.790 143 H LYS 24 H LYS 24 8.697 11.816 -1.310 144 HA LYS 24 HA LYS 24 7.964 9.283 -2.149 145 HB3 LYS 24 2HB LYS 24 9.479 9.133 0.337 146 HG3 LYS 24 2HG LYS 24 11.222 9.049 -1.913 147 HD3 LYS 24 2HD LYS 24 11.193 6.563 -1.546 148 HE3 LYS 24 2HE LYS 24 11.489 8.250 0.992 149 HZ1 LYS 24 3HZ LYS 24 11.667 5.831 1.382 150 HZ2 LYS 24 1HZ LYS 24 13.168 6.537 1.496 151 HZ3 LYS 24 2HZ LYS 24 12.779 5.712 0.182 152 H ALA 25 H ALA 25 6.472 10.925 0.560 153 HA ALA 25 HA ALA 25 5.421 8.340 1.573 154 HB1 ALA 25 1HB ALA 25 6.284 10.073 3.228 155 HB2 ALA 25 2HB ALA 25 5.010 11.173 2.683 156 HB3 ALA 25 3HB ALA 25 4.584 9.633 3.476 157 H GLU 26 H GLU 26 4.437 11.231 -0.134 158 HA GLU 26 HA GLU 26 1.746 11.334 0.176 159 HB3 GLU 26 2HB GLU 26 3.177 11.542 -2.513 160 HG3 GLU 26 2HG GLU 26 0.680 11.966 -2.511 161 H ALA 27 H ALA 27 3.520 9.017 -1.802 162 HA ALA 27 HA ALA 27 1.084 8.098 -3.206 163 HB1 ALA 27 1HB ALA 27 3.060 8.705 -4.508 164 HB2 ALA 27 2HB ALA 27 4.047 7.529 -3.622 165 HB3 ALA 27 3HB ALA 27 2.729 6.979 -4.679 166 H ARG 28 H ARG 28 1.655 7.375 -0.298 167 HA ARG 28 HA ARG 28 1.625 4.380 -0.655 168 HB3 ARG 28 2HB ARG 28 2.173 4.380 1.863 169 HG3 ARG 28 2HG ARG 28 4.692 5.185 1.021 170 HD3 ARG 28 2HD ARG 28 3.344 2.465 0.756 171 HE ARG 28 HE ARG 28 5.546 2.855 -0.491 172 HH11 ARG 28 1HH1 ARG 28 5.515 1.694 2.921 173 HH12 ARG 28 2HH1 ARG 28 7.208 1.421 2.974 174 HH21 ARG 28 1HH2 ARG 28 7.693 2.045 -0.548 175 HH22 ARG 28 2HH2 ARG 28 8.347 1.381 0.905 176 H ARG 29 H ARG 29 -0.584 6.821 -0.358 177 HA ARG 29 HA ARG 29 -2.102 5.841 1.852 178 HB3 ARG 29 2HB ARG 29 -3.831 7.266 1.255 179 HG3 ARG 29 2HG ARG 29 -1.770 8.775 -0.304 180 HD3 ARG 29 2HD ARG 29 -3.181 9.583 2.250 181 HE ARG 29 HE ARG 29 -2.394 11.472 0.147 182 HH11 ARG 29 1HH1 ARG 29 -1.581 10.341 3.460 183 HH12 ARG 29 2HH1 ARG 29 -0.152 11.332 3.545 184 HH21 ARG 29 1HH2 ARG 29 -0.718 13.043 0.535 185 HH22 ARG 29 2HH2 ARG 29 0.123 13.041 2.040 186 H ASN 30 H ASN 30 -1.940 4.563 -1.413 187 HA ASN 30 HA ASN 30 -3.651 2.310 -0.430 188 HB3 ASN 30 2HB ASN 30 -4.253 2.189 -3.011 189 HD21 ASN 30 1HD2 ASN 30 -5.785 1.155 -1.310 190 HD22 ASN 30 2HD2 ASN 30 -7.133 2.185 -0.877 191 H ARG 31 H ARG 31 -0.675 3.188 -2.049 192 HA ARG 31 HA ARG 31 -0.189 1.053 -3.721 193 HB3 ARG 31 2HB ARG 31 1.701 2.825 -2.109 194 HG3 ARG 31 2HG ARG 31 2.924 2.581 -4.519 195 HD3 ARG 31 2HD ARG 31 3.399 1.410 -1.846 196 HE ARG 31 HE ARG 31 4.729 0.230 -4.249 197 HH11 ARG 31 1HH1 ARG 31 3.938 0.017 -0.792 198 HH12 ARG 31 2HH1 ARG 31 4.553 -1.583 -0.584 199 HH21 ARG 31 1HH2 ARG 31 5.293 -2.067 -3.995 200 HH22 ARG 31 2HH2 ARG 31 5.178 -2.774 -2.396 201 H LEU 32 H LEU 32 -0.881 0.378 -0.728 202 HA LEU 32 HA LEU 32 1.135 -1.741 -0.232 203 HB3 LEU 32 2HB LEU 32 2.003 0.075 0.891 204 HG LEU 32 HG LEU 32 0.454 1.774 0.935 205 HD11 LEU 32 1HD1 LEU 32 -1.711 0.759 1.089 206 HD12 LEU 32 2HD1 LEU 32 -1.520 1.816 2.475 207 HD13 LEU 32 3HD1 LEU 32 -1.308 0.051 2.675 208 HD21 LEU 32 3HD2 LEU 32 0.994 0.896 3.794 209 HD22 LEU 32 1HD2 LEU 32 0.510 2.537 3.308 210 HD23 LEU 32 2HD2 LEU 32 2.044 1.874 2.751 211 H LEU 33 H LEU 33 -2.039 -0.937 -0.674 212 HA LEU 33 HA LEU 33 -3.472 -2.666 1.121 213 HB3 LEU 33 2HB LEU 33 -3.916 -1.464 -1.636 214 HG LEU 33 HG LEU 33 -5.537 -3.283 -1.438 215 HD11 LEU 33 1HD1 LEU 33 -6.429 -1.920 1.147 216 HD12 LEU 33 2HD1 LEU 33 -5.669 -3.509 1.035 217 HD13 LEU 33 3HD1 LEU 33 -7.266 -3.253 0.328 218 HD21 LEU 33 3HD2 LEU 33 -6.774 -0.539 -0.936 219 HD22 LEU 33 1HD2 LEU 33 -7.477 -1.890 -1.865 220 HD23 LEU 33 2HD2 LEU 33 -6.046 -1.053 -2.478 221 H GLY 34 H GLY 34 -1.802 -3.012 -1.970 222 HA2 GLY 34 1HA GLY 34 -2.616 -5.723 -2.514 223 HA3 GLY 34 2HA GLY 34 -1.153 -4.994 -3.126 224 H GLU 35 H GLU 35 0.165 -4.361 -0.640 225 HA GLU 35 HA GLU 35 1.418 -6.854 -0.251 226 HB3 GLU 35 2HB GLU 35 2.833 -5.748 1.386 227 HG3 GLU 35 2HG GLU 35 2.121 -3.835 -0.814 228 H TRP 36 H TRP 36 -1.305 -5.470 1.434 229 HA TRP 36 HA TRP 36 -1.328 -7.150 3.788 230 HB3 TRP 36 2HB TRP 36 -3.395 -5.599 2.222 231 HD1 TRP 36 HD TRP 36 -3.525 -7.338 5.712 232 HE1 TRP 36 1HE TRP 36 -5.903 -8.262 6.045 233 HE3 TRP 36 3HE TRP 36 -5.605 -5.924 1.248 234 HZ2 TRP 36 2HZ TRP 36 -8.306 -8.510 4.533 235 HZ3 TRP 36 3HZ TRP 36 -7.973 -6.437 0.769 236 HH2 TRP 36 HH TRP 36 -9.342 -7.745 2.374 237 H ALA 37 H ALA 37 -3.327 -7.448 0.805 238 HA ALA 37 HA ALA 37 -4.101 -10.096 1.316 239 HB1 ALA 37 1HB ALA 37 -5.257 -8.617 -0.263 240 HB2 ALA 37 2HB ALA 37 -3.856 -8.704 -1.371 241 HB3 ALA 37 3HB ALA 37 -4.807 -10.153 -1.033 242 H ALA 38 H ALA 38 -1.289 -8.913 -0.569 243 HA ALA 38 HA ALA 38 -0.245 -11.346 -1.568 244 HB1 ALA 38 1HB ALA 38 1.876 -10.156 -1.584 245 HB2 ALA 38 2HB ALA 38 0.597 -9.047 -2.082 246 HB3 ALA 38 3HB ALA 38 1.280 -8.965 -0.430 247 H GLY 39 H GLY 39 0.412 -9.744 1.642 248 HA2 GLY 39 1HA GLY 39 2.076 -11.851 2.618 249 HA3 GLY 39 2HA GLY 39 1.295 -10.588 3.576 250 H LEU 40 H LEU 40 -1.448 -11.241 2.864 251 HA LEU 40 HA LEU 40 -1.985 -13.358 4.724 252 HB3 LEU 40 2HB LEU 40 -4.304 -13.297 3.620 253 HG LEU 40 HG LEU 40 -3.271 -10.555 4.474 254 HD11 LEU 40 1HD1 LEU 40 -6.032 -11.802 4.196 255 HD12 LEU 40 2HD1 LEU 40 -5.396 -10.301 3.495 256 HD13 LEU 40 3HD1 LEU 40 -5.731 -10.407 5.229 257 HD21 LEU 40 3HD2 LEU 40 -2.685 -12.066 6.221 258 HD22 LEU 40 1HD2 LEU 40 -4.259 -12.892 6.140 259 HD23 LEU 40 2HD2 LEU 40 -4.138 -11.214 6.733 260 H LEU 41 H LEU 41 -1.767 -13.270 1.282 261 HA LEU 41 HA LEU 41 -2.316 -16.129 0.895 262 HB3 LEU 41 2HB LEU 41 -2.057 -15.542 -1.535 263 HG LEU 41 HG LEU 41 -3.903 -13.718 0.065 264 HD11 LEU 41 1HD1 LEU 41 -5.213 -13.502 -2.039 265 HD12 LEU 41 2HD1 LEU 41 -3.918 -14.355 -2.907 266 HD13 LEU 41 3HD1 LEU 41 -3.595 -12.781 -2.158 267 HD21 LEU 41 3HD2 LEU 41 -4.408 -16.393 -1.269 268 HD22 LEU 41 1HD2 LEU 41 -5.633 -15.342 -0.528 269 HD23 LEU 41 2HD2 LEU 41 -4.393 -16.067 0.474 270 H GLY 42 H GLY 42 0.476 -14.774 2.019 271 HA2 GLY 42 1HA GLY 42 2.403 -15.969 2.386 272 HA3 GLY 42 2HA GLY 42 1.857 -17.210 1.265 273 H LYS 43 H LYS 43 1.804 -14.027 -0.136 274 HA LYS 43 HA LYS 43 4.244 -14.498 -1.688 275 HB3 LYS 43 2HB LYS 43 3.406 -12.690 -3.055 276 HG3 LYS 43 2HG LYS 43 0.838 -14.122 -2.327 277 HD3 LYS 43 2HD LYS 43 2.033 -12.944 -4.810 278 HE3 LYS 43 2HE LYS 43 0.123 -14.087 -6.059 279 HZ1 LYS 43 3HZ LYS 43 2.368 -15.934 -5.614 280 HZ2 LYS 43 1HZ LYS 43 2.561 -14.479 -6.399 281 HZ3 LYS 43 2HZ LYS 43 1.550 -15.568 -6.986 282 H THR 44 H THR 44 5.896 -13.031 -1.692 283 HA THR 44 HA THR 44 5.959 -10.632 0.020 284 HB THR 44 HB THR 44 8.237 -11.486 0.881 285 HG1 THR 44 1HG THR 44 7.463 -13.672 -0.528 286 HG21 THR 44 3HG2 THR 44 7.371 -12.524 2.814 287 HG22 THR 44 1HG2 THR 44 5.927 -13.093 1.963 288 HG23 THR 44 2HG2 THR 44 6.148 -11.359 2.297 289 H GLY 45 H GLY 45 8.200 -9.541 -0.273 290 HA2 GLY 45 1HA GLY 45 9.696 -8.571 -1.580 291 HA3 GLY 45 2HA GLY 45 9.931 -10.145 -2.352 292 H ASP 46 H ASP 46 9.974 -9.712 -4.515 293 HA ASP 46 HA ASP 46 8.851 -7.595 -5.950 294 HB3 ASP 46 2HB ASP 46 9.241 -10.442 -6.966 295 H ASP 47 H ASP 47 7.557 -10.851 -5.341 296 HA ASP 47 HA ASP 47 5.332 -10.668 -7.027 297 HB3 ASP 47 2HB ASP 47 4.780 -12.389 -4.754 298 H ALA 48 H ALA 48 5.728 -9.673 -3.645 299 HA ALA 48 HA ALA 48 2.890 -8.884 -3.409 300 HB1 ALA 48 1HB ALA 48 4.175 -9.575 -1.379 301 HB2 ALA 48 2HB ALA 48 5.310 -8.237 -1.632 302 HB3 ALA 48 3HB ALA 48 3.607 -7.905 -1.250 303 H ARG 49 H ARG 49 6.049 -7.296 -4.002 304 HA ARG 49 HA ARG 49 5.126 -4.653 -3.753 305 HB3 ARG 49 2HB ARG 49 7.150 -4.287 -5.493 306 HG3 ARG 49 2HG ARG 49 7.533 -5.340 -2.679 307 HD3 ARG 49 2HD ARG 49 9.349 -3.467 -2.785 308 HE ARG 49 HE ARG 49 10.422 -5.427 -4.580 309 HH11 ARG 49 1HH1 ARG 49 9.088 -5.123 -1.279 310 HH12 ARG 49 2HH1 ARG 49 10.054 -6.407 -0.624 311 HH21 ARG 49 1HH2 ARG 49 11.741 -6.965 -3.748 312 HH22 ARG 49 2HH2 ARG 49 11.802 -7.314 -2.029 313 H ALA 50 H ALA 50 5.560 -6.497 -6.850 314 HA ALA 50 HA ALA 50 4.690 -4.224 -8.334 315 HB1 ALA 50 1HB ALA 50 4.523 -5.767 -10.249 316 HB2 ALA 50 2HB ALA 50 6.016 -6.077 -9.337 317 HB3 ALA 50 3HB ALA 50 4.623 -7.169 -9.160 318 H TYR 51 H TYR 51 2.885 -6.930 -6.889 319 HA TYR 51 HA TYR 51 0.347 -6.378 -8.067 320 HB3 TYR 51 2HB TYR 51 1.196 -7.604 -5.418 321 HD1 TYR 51 1HD TYR 51 -1.611 -7.776 -7.921 322 HD2 TYR 51 2HD TYR 51 -0.421 -7.743 -3.776 323 HE1 TYR 51 1HE TYR 51 -4.007 -8.058 -7.211 324 HE2 TYR 51 2HE TYR 51 -2.734 -7.958 -3.076 325 HH TYR 51 HH TYR 51 -4.942 -7.634 -3.780 326 H ALA 52 H ALA 52 1.969 -5.235 -5.076 327 HA ALA 52 HA ALA 52 -0.157 -3.638 -4.133 328 HB1 ALA 52 1HB ALA 52 2.010 -4.405 -2.989 329 HB2 ALA 52 2HB ALA 52 2.798 -3.023 -3.788 330 HB3 ALA 52 3HB ALA 52 1.461 -2.751 -2.648 331 H LEU 53 H LEU 53 2.140 -3.041 -6.644 332 HA LEU 53 HA LEU 53 1.665 -0.135 -6.775 333 HB3 LEU 53 2HB LEU 53 3.200 -0.407 -8.801 334 HG LEU 53 HG LEU 53 4.121 -1.357 -6.063 335 HD11 LEU 53 1HD1 LEU 53 5.831 -0.913 -8.514 336 HD12 LEU 53 2HD1 LEU 53 5.615 -2.422 -7.592 337 HD13 LEU 53 3HD1 LEU 53 6.445 -1.067 -6.850 338 HD21 LEU 53 3HD2 LEU 53 3.498 1.065 -6.349 339 HD22 LEU 53 1HD2 LEU 53 4.672 1.185 -7.659 340 HD23 LEU 53 2HD2 LEU 53 5.234 0.837 -6.017 341 H THR 54 H THR 54 0.126 -3.040 -8.013 342 HA THR 54 HA THR 54 -1.222 -1.444 -10.118 343 HB THR 54 HB THR 54 -1.983 -3.673 -10.905 344 HG1 THR 54 1HG THR 54 -1.799 -5.098 -9.350 345 HG21 THR 54 3HG2 THR 54 -0.020 -2.621 -11.916 346 HG22 THR 54 1HG2 THR 54 0.219 -4.377 -11.806 347 HG23 THR 54 2HG2 THR 54 1.023 -3.298 -10.658 348 H VAL 55 H VAL 55 -1.619 -1.966 -6.943 349 HA VAL 55 HA VAL 55 -4.567 -2.344 -7.035 350 HB VAL 55 HB VAL 55 -2.438 -3.230 -5.069 351 HG11 VAL 55 1HG1 VAL 55 -5.436 -3.075 -4.638 352 HG12 VAL 55 2HG1 VAL 55 -4.356 -4.154 -3.703 353 HG13 VAL 55 3HG1 VAL 55 -4.154 -2.407 -3.627 354 HG21 VAL 55 3HG2 VAL 55 -4.690 -4.804 -6.404 355 HG22 VAL 55 1HG2 VAL 55 -3.056 -4.695 -7.067 356 HG23 VAL 55 2HG2 VAL 55 -3.292 -5.412 -5.474 357 H VAL 56 H VAL 56 -5.211 -0.291 -7.222 358 HA VAL 56 HA VAL 56 -4.683 1.455 -4.888 359 HB VAL 56 HB VAL 56 -5.151 2.626 -7.630 360 HG11 VAL 56 1HG1 VAL 56 -3.711 3.500 -5.085 361 HG12 VAL 56 2HG1 VAL 56 -3.812 4.476 -6.543 362 HG13 VAL 56 3HG1 VAL 56 -5.293 4.089 -5.651 363 HG21 VAL 56 3HG2 VAL 56 -3.185 1.207 -8.036 364 HG22 VAL 56 1HG2 VAL 56 -2.744 2.899 -7.979 365 HG23 VAL 56 2HG2 VAL 56 -2.396 1.855 -6.571 366 H THR 57 H THR 57 -6.422 -0.003 -4.332 367 HA THR 57 HA THR 57 -8.542 -0.451 -3.780 368 HB THR 57 HB THR 57 -8.212 1.684 -2.671 369 HG1 THR 57 1HG THR 57 -10.352 2.037 -2.207 370 HG21 THR 57 3HG2 THR 57 -9.652 2.937 -5.017 371 HG22 THR 57 1HG2 THR 57 -8.052 3.390 -4.332 372 HG23 THR 57 2HG2 THR 57 -9.509 3.693 -3.424 373 H SER 58 H SER 58 -10.992 0.585 -4.579 374 HA SER 58 HA SER 58 -11.366 1.322 -7.124 375 HB3 SER 58 2HB SER 58 -12.784 -1.321 -7.083 376 HG SER 58 HG SER 58 -13.081 -0.429 -8.936 377 H ASP 59 H ASP 59 -14.310 0.240 -7.052 378 HA ASP 59 HA ASP 59 -14.977 1.869 -4.717 379 HB3 ASP 59 2HB ASP 59 -17.178 0.842 -6.480 380 H PHE 60 H PHE 60 -17.280 1.105 -3.792 381 HA PHE 60 HA PHE 60 -17.244 -1.716 -3.047 382 HB3 PHE 60 2HB PHE 60 -17.317 0.352 -0.827 383 HD1 PHE 60 1HD PHE 60 -15.205 -2.663 -1.030 384 HD2 PHE 60 2HD PHE 60 -19.022 -1.150 0.232 385 HE1 PHE 60 1HE PHE 60 -15.645 -4.766 0.187 386 HE2 PHE 60 2HE PHE 60 -19.521 -3.309 1.369 387 HZ PHE 60 HZ PHE 60 -17.854 -5.145 1.291 388 H ASP 61 H ASP 61 -18.908 1.240 -3.767 389 HA ASP 61 HA ASP 61 -21.506 0.378 -2.784 390 HB3 ASP 61 2HB ASP 61 -21.108 2.313 -5.064 391 H GLU 62 H GLU 62 -23.096 0.512 -5.103 392 HA GLU 62 HA GLU 62 -24.038 -0.928 -6.555 393 HB3 GLU 62 2HB GLU 62 -23.022 0.353 -8.083 394 HG3 GLU 62 2HG GLU 62 -20.404 -1.204 -7.974 395 HA PRO 63 HA PRO 63 -22.325 -4.693 -4.503 396 HB3 PRO 63 2HB PRO 63 -23.653 -4.189 -2.682 397 HG3 PRO 63 2HG PRO 63 -25.854 -3.256 -2.966 398 HD3 PRO 63 2HD PRO 63 -24.341 -1.756 -3.995 399 H GLY 64 H GLY 64 -22.533 -6.947 -5.033 400 HA2 GLY 64 1HA GLY 64 -23.613 -8.883 -5.974 401 HA3 GLY 64 2HA GLY 64 -24.609 -7.813 -6.981 402 H ASP 65 H ASP 65 -21.622 -6.439 -7.119 403 HA ASP 65 HA ASP 65 -21.037 -7.689 -9.744 404 HB3 ASP 65 2HB ASP 65 -20.386 -5.315 -10.337 405 H GLU 66 H GLU 66 -19.869 -8.845 -7.873 406 HA GLU 66 HA GLU 66 -17.586 -8.308 -6.386 407 HB3 GLU 66 2HB GLU 66 -17.124 -10.782 -7.508 408 HG3 GLU 66 2HG GLU 66 -19.118 -10.001 -5.410 409 H ASP 67 H ASP 67 -16.167 -6.717 -7.305 410 HA ASP 67 HA ASP 67 -14.405 -7.878 -9.408 411 HB3 ASP 67 2HB ASP 67 -14.845 -4.889 -9.185 412 H VAL 68 H VAL 68 -13.897 -4.894 -7.452 413 HA VAL 68 HA VAL 68 -11.287 -5.749 -6.799 414 HB VAL 68 HB VAL 68 -11.832 -3.456 -6.908 415 HG11 VAL 68 1HG1 VAL 68 -13.060 -2.132 -5.171 416 HG12 VAL 68 2HG1 VAL 68 -14.111 -3.239 -6.003 417 HG13 VAL 68 3HG1 VAL 68 -13.528 -3.644 -4.387 418 HG21 VAL 68 3HG2 VAL 68 -10.601 -2.627 -5.000 419 HG22 VAL 68 1HG2 VAL 68 -11.003 -4.091 -4.055 420 HG23 VAL 68 2HG2 VAL 68 -9.946 -4.212 -5.481 421 H PHE 69 H PHE 69 -14.275 -5.920 -4.862 422 HA PHE 69 HA PHE 69 -13.077 -7.385 -2.718 423 HB3 PHE 69 2HB PHE 69 -14.968 -6.636 -1.818 424 HD1 PHE 69 1HD PHE 69 -17.197 -7.821 -4.447 425 HD2 PHE 69 2HD PHE 69 -15.189 -4.435 -2.770 426 HE1 PHE 69 1HE PHE 69 -18.349 -6.322 -6.090 427 HE2 PHE 69 2HE PHE 69 -16.325 -2.938 -4.472 428 HZ PHE 69 HZ PHE 69 -17.874 -3.898 -6.121 429 H ARG 70 H ARG 70 -13.922 -8.500 -5.926 430 HA ARG 70 HA ARG 70 -14.679 -11.173 -5.128 431 HB3 ARG 70 2HB ARG 70 -13.372 -10.286 -7.741 432 HG3 ARG 70 2HG ARG 70 -15.274 -12.551 -7.043 433 HD3 ARG 70 2HD ARG 70 -13.942 -11.768 -9.676 434 HE ARG 70 HE ARG 70 -16.153 -13.648 -9.694 435 HH11 ARG 70 1HH1 ARG 70 -12.605 -13.760 -8.977 436 HH12 ARG 70 2HH1 ARG 70 -12.376 -15.117 -9.992 437 HH21 ARG 70 1HH2 ARG 70 -15.789 -15.509 -10.771 438 HH22 ARG 70 2HH2 ARG 70 -14.227 -16.238 -10.942 439 H LYS 71 H LYS 71 -11.643 -9.776 -6.303 440 HA LYS 71 HA LYS 71 -10.090 -12.189 -5.839 441 HB3 LYS 71 2HB LYS 71 -8.157 -10.543 -6.269 442 HG3 LYS 71 2HG LYS 71 -9.152 -12.056 -8.003 443 HD3 LYS 71 2HD LYS 71 -10.772 -9.548 -8.663 444 HE3 LYS 71 2HE LYS 71 -11.335 -10.539 -10.793 445 HZ1 LYS 71 3HZ LYS 71 -9.378 -10.192 -11.926 446 HZ2 LYS 71 1HZ LYS 71 -8.427 -10.834 -10.728 447 HZ3 LYS 71 2HZ LYS 71 -9.118 -9.339 -10.558 448 H LEU 72 H LEU 72 -11.531 -10.424 -3.578 449 HA LEU 72 HA LEU 72 -9.348 -10.816 -1.634 450 HB3 LEU 72 2HB LEU 72 -10.381 -8.733 -0.524 451 HG LEU 72 HG LEU 72 -9.104 -8.205 -3.257 452 HD11 LEU 72 1HD1 LEU 72 -9.497 -6.470 -0.779 453 HD12 LEU 72 2HD1 LEU 72 -10.219 -6.236 -2.386 454 HD13 LEU 72 3HD1 LEU 72 -8.475 -6.024 -2.173 455 HD21 LEU 72 3HD2 LEU 72 -7.612 -9.596 -1.890 456 HD22 LEU 72 1HD2 LEU 72 -7.821 -8.511 -0.512 457 HD23 LEU 72 2HD2 LEU 72 -6.997 -7.952 -1.982 458 H ALA 73 H ALA 73 -12.538 -11.461 -2.430 459 HA ALA 73 HA ALA 73 -13.175 -12.273 0.341 460 HB1 ALA 73 1HB ALA 73 -15.450 -12.709 -0.568 461 HB2 ALA 73 2HB ALA 73 -14.937 -11.048 -0.881 462 HB3 ALA 73 3HB ALA 73 -14.895 -12.235 -2.194 463 H ALA 74 H ALA 74 -13.902 -13.982 -2.738 464 HA ALA 74 HA ALA 74 -13.501 -16.545 -1.609 465 HB1 ALA 74 1HB ALA 74 -14.779 -16.181 -3.655 466 HB2 ALA 74 2HB ALA 74 -13.315 -15.623 -4.496 467 HB3 ALA 74 3HB ALA 74 -13.447 -17.317 -3.971 468 H ASP 75 H ASP 75 -11.226 -14.461 -3.464 469 HA ASP 75 HA ASP 75 -9.152 -16.359 -3.784 470 HB3 ASP 75 2HB ASP 75 -7.993 -13.746 -3.353 471 H LEU 76 H LEU 76 -10.111 -14.437 -1.015 472 HA LEU 76 HA LEU 76 -7.587 -14.855 0.408 473 HB3 LEU 76 2HB LEU 76 -9.780 -12.879 0.994 474 HG LEU 76 HG LEU 76 -8.017 -12.612 2.609 475 HD11 LEU 76 1HD1 LEU 76 -6.202 -12.765 0.171 476 HD12 LEU 76 2HD1 LEU 76 -6.147 -13.769 1.648 477 HD13 LEU 76 3HD1 LEU 76 -5.666 -12.058 1.705 478 HD21 LEU 76 3HD2 LEU 76 -8.892 -10.507 1.443 479 HD22 LEU 76 1HD2 LEU 76 -7.469 -10.586 0.396 480 HD23 LEU 76 2HD2 LEU 76 -7.279 -10.341 2.148 481 H GLU 77 H GLU 77 -10.160 -16.608 0.208 482 HA GLU 77 HA GLU 77 -11.831 -16.664 2.160 483 HB3 GLU 77 2HB GLU 77 -10.331 -19.027 1.102 484 HG3 GLU 77 2HG GLU 77 -13.046 -19.005 2.420 485 H GLY 78 H GLY 78 -11.961 -16.650 4.245 486 HA2 GLY 78 1HA GLY 78 -11.686 -17.331 6.419 487 HA3 GLY 78 2HA GLY 78 -10.183 -18.143 6.024 488 H LYS 79 H LYS 79 -9.634 -15.338 4.556 489 HA LYS 79 HA LYS 79 -8.455 -14.036 6.973 490 HB3 LYS 79 2HB LYS 79 -6.553 -13.458 5.606 491 HG3 LYS 79 2HG LYS 79 -7.220 -16.437 5.513 492 HD3 LYS 79 2HD LYS 79 -4.710 -16.708 5.548 493 HE3 LYS 79 2HE LYS 79 -4.404 -16.192 3.044 494 HZ1 LYS 79 3HZ LYS 79 -5.239 -18.325 3.654 495 HZ2 LYS 79 1HZ LYS 79 -6.118 -17.793 2.373 496 HZ3 LYS 79 2HZ LYS 79 -6.777 -17.764 3.862 497 H ALA 80 H ALA 80 -11.054 -13.637 5.172 498 HA ALA 80 HA ALA 80 -10.989 -10.732 5.340 499 HB1 ALA 80 1HB ALA 80 -11.638 -12.301 2.788 500 HB2 ALA 80 2HB ALA 80 -11.944 -10.571 2.987 501 HB3 ALA 80 3HB ALA 80 -10.281 -11.179 3.008 502 H ASP 81 H ASP 81 -13.278 -9.967 4.681 503 HA ASP 81 HA ASP 81 -15.360 -11.818 4.384 504 HB3 ASP 81 2HB ASP 81 -16.854 -10.322 6.039 505 H GLU 82 H GLU 82 -17.307 -10.372 4.024 506 HA GLU 82 HA GLU 82 -16.774 -8.574 1.836 507 HB3 GLU 82 2HB GLU 82 -19.188 -8.046 2.001 508 HG3 GLU 82 2HG GLU 82 -18.630 -11.022 2.456 509 H GLU 83 H GLU 83 -17.773 -8.018 5.207 510 HA GLU 83 HA GLU 83 -17.851 -5.139 5.023 511 HB3 GLU 83 2HB GLU 83 -19.212 -6.172 6.678 512 HG3 GLU 83 2HG GLU 83 -16.727 -7.655 7.540 513 H THR 84 H THR 84 -15.308 -7.495 5.630 514 HA THR 84 HA THR 84 -13.526 -5.669 7.022 515 HB THR 84 HB THR 84 -13.152 -8.346 5.665 516 HG1 THR 84 1HG THR 84 -14.509 -8.062 7.647 517 HG21 THR 84 3HG2 THR 84 -10.981 -7.053 5.941 518 HG22 THR 84 1HG2 THR 84 -11.047 -8.570 6.849 519 HG23 THR 84 2HG2 THR 84 -11.296 -7.011 7.702 520 H ILE 85 H ILE 85 -13.786 -6.945 3.607 521 HA ILE 85 HA ILE 85 -11.543 -5.753 2.604 522 HB ILE 85 HB ILE 85 -14.181 -6.083 1.084 523 HG13 ILE 85 2HG1 ILE 85 -13.093 -8.145 2.240 524 HG21 ILE 85 1HG2 ILE 85 -11.344 -5.618 0.139 525 HG22 ILE 85 2HG2 ILE 85 -12.662 -6.168 -0.909 526 HG23 ILE 85 3HG2 ILE 85 -12.761 -4.590 -0.139 527 HD11 ILE 85 3HD1 ILE 85 -13.435 -9.639 0.479 528 HD12 ILE 85 1HD1 ILE 85 -14.624 -8.342 0.282 529 HD13 ILE 85 2HD1 ILE 85 -13.184 -8.388 -0.755 530 H ARG 86 H ARG 86 -14.805 -4.163 2.943 531 HA ARG 86 HA ARG 86 -14.060 -1.781 1.658 532 HB3 ARG 86 2HB ARG 86 -16.373 -2.383 2.290 533 HG3 ARG 86 2HG ARG 86 -15.665 -2.145 5.038 534 HD3 ARG 86 2HD ARG 86 -17.518 0.055 4.064 535 HE ARG 86 HE ARG 86 -16.785 0.040 6.853 536 HH11 ARG 86 1HH1 ARG 86 -19.114 -1.360 4.584 537 HH12 ARG 86 2HH1 ARG 86 -20.211 -1.934 5.768 538 HH21 ARG 86 1HH2 ARG 86 -18.301 -0.664 8.505 539 HH22 ARG 86 2HH2 ARG 86 -19.742 -1.478 8.050 540 H ALA 87 H ALA 87 -13.773 -2.750 5.037 541 HA ALA 87 HA ALA 87 -12.460 -0.275 5.823 542 HB1 ALA 87 1HB ALA 87 -14.239 -1.334 7.224 543 HB2 ALA 87 2HB ALA 87 -13.172 -2.742 7.449 544 HB3 ALA 87 3HB ALA 87 -12.691 -1.156 8.073 545 H LYS 88 H LYS 88 -11.129 -2.294 3.945 546 HA LYS 88 HA LYS 88 -8.552 -2.092 5.447 547 HB3 LYS 88 2HB LYS 88 -7.957 -3.654 3.223 548 HG3 LYS 88 2HG LYS 88 -7.341 -3.771 5.784 549 HD3 LYS 88 2HD LYS 88 -8.865 -6.302 5.751 550 HE3 LYS 88 2HE LYS 88 -7.447 -5.529 7.701 551 HZ1 LYS 88 3HZ LYS 88 -7.993 -3.263 8.034 552 HZ2 LYS 88 1HZ LYS 88 -8.818 -4.004 9.195 553 HZ3 LYS 88 2HZ LYS 88 -9.604 -3.494 7.861 554 H MET 89 H MET 89 -10.148 -1.767 2.248 555 HA MET 89 HA MET 89 -7.984 -0.425 1.060 556 HB3 MET 89 2HB MET 89 -9.418 0.306 -0.634 557 HG3 MET 89 2HG MET 89 -10.734 -2.270 0.286 558 HE1 MET 89 3HE MET 89 -12.761 -2.945 -1.547 559 HE2 MET 89 1HE MET 89 -12.771 -1.206 -1.114 560 HE3 MET 89 2HE MET 89 -12.944 -1.706 -2.802 561 H VAL 90 H VAL 90 -10.714 0.986 2.881 562 HA VAL 90 HA VAL 90 -9.727 3.682 2.670 563 HB VAL 90 HB VAL 90 -11.771 2.482 4.591 564 HG11 VAL 90 1HG1 VAL 90 -11.384 5.321 3.562 565 HG12 VAL 90 2HG1 VAL 90 -12.768 4.770 4.522 566 HG13 VAL 90 3HG1 VAL 90 -11.147 4.745 5.224 567 HG21 VAL 90 3HG2 VAL 90 -12.462 1.902 2.310 568 HG22 VAL 90 1HG2 VAL 90 -13.494 3.161 2.947 569 HG23 VAL 90 2HG2 VAL 90 -12.216 3.581 1.780 570 H GLU 91 H GLU 91 -9.239 1.088 4.991 571 HA GLU 91 HA GLU 91 -8.728 2.609 7.315 572 HB3 GLU 91 2HB GLU 91 -7.248 0.061 7.159 573 HG3 GLU 91 2HG GLU 91 -9.735 0.906 8.704 574 H LEU 92 H LEU 92 -6.669 1.912 4.623 575 HA LEU 92 HA LEU 92 -4.189 2.082 6.066 576 HB3 LEU 92 2HB LEU 92 -3.377 1.879 3.562 577 HG LEU 92 HG LEU 92 -5.026 -0.170 5.073 578 HD11 LEU 92 1HD1 LEU 92 -5.235 -0.694 2.707 579 HD12 LEU 92 2HD1 LEU 92 -4.260 -1.900 3.550 580 HD13 LEU 92 3HD1 LEU 92 -3.464 -0.671 2.514 581 HD21 LEU 92 3HD2 LEU 92 -2.041 0.318 4.704 582 HD22 LEU 92 1HD2 LEU 92 -2.681 -1.230 5.265 583 HD23 LEU 92 2HD2 LEU 92 -2.963 0.237 6.190 584 H ARG 93 H ARG 93 -6.035 4.704 5.081 585 HA ARG 93 HA ARG 93 -4.250 6.204 3.554 586 HB3 ARG 93 2HB ARG 93 -5.411 8.273 4.485 587 HG3 ARG 93 2HG ARG 93 -7.220 6.011 3.531 588 HD3 ARG 93 2HD ARG 93 -8.520 8.024 4.091 589 HE ARG 93 HE ARG 93 -6.395 9.536 3.002 590 HH11 ARG 93 1HH1 ARG 93 -9.973 9.466 2.792 591 HH12 ARG 93 2HH1 ARG 93 -10.051 11.198 2.582 592 HH21 ARG 93 1HH2 ARG 93 -6.575 11.707 2.634 593 HH22 ARG 93 2HH2 ARG 93 -8.154 12.460 2.515 594 H ALA 94 H ALA 94 -4.338 6.281 7.210 595 HA ALA 94 HA ALA 94 -2.117 8.177 7.193 596 HB1 ALA 94 1HB ALA 94 -2.139 7.945 9.609 597 HB2 ALA 94 2HB ALA 94 -3.779 8.217 8.989 598 HB3 ALA 94 3HB ALA 94 -3.276 6.595 9.505 599 H THR 95 H THR 95 -2.337 4.658 7.002 600 HA THR 95 HA THR 95 0.117 3.928 8.120 601 HB THR 95 HB THR 95 -1.196 2.681 5.695 602 HG1 THR 95 1HG THR 95 -2.164 3.065 8.188 603 HG21 THR 95 3HG2 THR 95 -0.358 0.550 6.692 604 HG22 THR 95 1HG2 THR 95 0.545 1.492 7.891 605 HG23 THR 95 2HG2 THR 95 0.937 1.610 6.156 606 H ALA 96 H ALA 96 -0.615 5.601 5.135 607 HA ALA 96 HA ALA 96 1.730 5.247 3.703 608 HB1 ALA 96 1HB ALA 96 -0.364 6.409 2.925 609 HB2 ALA 96 2HB ALA 96 0.046 7.803 3.934 610 HB3 ALA 96 3HB ALA 96 1.090 7.381 2.570 611 H ARG 97 H ARG 97 1.150 7.741 6.209 612 HA ARG 97 HA ARG 97 3.873 8.825 5.787 613 HB3 ARG 97 2HB ARG 97 2.236 10.481 6.318 614 HG3 ARG 97 2HG ARG 97 1.695 9.112 8.993 615 HD3 ARG 97 2HD ARG 97 -0.145 10.767 9.132 616 HE ARG 97 HE ARG 97 2.555 11.477 9.579 617 HH11 ARG 97 1HH1 ARG 97 -0.672 12.961 9.300 618 HH12 ARG 97 2HH1 ARG 97 -0.260 14.341 10.261 619 HH21 ARG 97 1HH2 ARG 97 3.122 13.389 10.721 620 HH22 ARG 97 2HH2 ARG 97 1.917 14.461 11.267 621 H GLU 98 H GLU 98 2.095 6.700 8.043 622 HA GLU 98 HA GLU 98 3.905 6.490 10.095 623 HB3 GLU 98 2HB GLU 98 2.816 4.112 10.141 624 HG3 GLU 98 2HG GLU 98 0.500 5.735 10.339 625 H GLN 99 H GLN 99 3.642 4.389 7.156 626 HA GLN 99 HA GLN 99 5.730 2.649 7.830 627 HB3 GLN 99 2HB GLN 99 5.926 2.347 5.305 628 HG3 GLN 99 2HG GLN 99 3.151 1.995 6.481 629 HE21 GLN 99 1HE2 GLN 99 3.606 -0.982 6.191 630 HE22 GLN 99 2HE2 GLN 99 3.395 -1.144 4.466 631 H ILE 100 H ILE 100 5.992 5.742 5.965 632 HA ILE 100 HA ILE 100 8.762 5.256 5.306 633 HB ILE 100 HB ILE 100 7.250 7.845 5.585 634 HG13 ILE 100 2HG1 ILE 100 6.748 7.807 3.256 635 HG21 ILE 100 1HG2 ILE 100 9.582 8.405 5.529 636 HG22 ILE 100 2HG2 ILE 100 9.920 7.204 4.275 637 HG23 ILE 100 3HG2 ILE 100 9.005 8.666 3.868 638 HD11 ILE 100 3HD1 ILE 100 8.670 6.831 2.168 639 HD12 ILE 100 1HD1 ILE 100 8.386 5.263 2.970 640 HD13 ILE 100 2HD1 ILE 100 7.240 5.878 1.757 641 H ILE 101 H ILE 101 7.087 6.921 8.040 642 HA ILE 101 HA ILE 101 9.563 7.790 9.281 643 HB ILE 101 HB ILE 101 6.653 7.631 10.178 644 HG13 ILE 101 2HG1 ILE 101 7.264 9.208 8.273 645 HG21 ILE 101 1HG2 ILE 101 7.262 9.115 12.061 646 HG22 ILE 101 2HG2 ILE 101 8.087 7.579 12.184 647 HG23 ILE 101 3HG2 ILE 101 8.974 9.005 11.607 648 HD11 ILE 101 3HD1 ILE 101 6.264 11.209 9.072 649 HD12 ILE 101 1HD1 ILE 101 5.398 9.827 9.767 650 HD13 ILE 101 2HD1 ILE 101 6.540 10.772 10.760 651 H SER 102 H SER 102 7.949 4.826 8.961 652 HA SER 102 HA SER 102 9.061 3.546 11.367 653 HB3 SER 102 2HB SER 102 7.859 2.014 9.068 654 HG SER 102 HG SER 102 6.658 1.793 11.475 655 H GLU 103 H GLU 103 10.213 4.407 8.265 656 HA GLU 103 HA GLU 103 12.117 2.143 7.938 657 HB3 GLU 103 2HB GLU 103 11.737 2.660 5.467 658 HG3 GLU 103 2HG GLU 103 9.321 1.550 6.869 659 H ILE 104 H ILE 104 12.829 4.440 9.396 660 HA ILE 104 HA ILE 104 13.913 6.496 7.635 661 HB ILE 104 HB ILE 104 14.145 6.062 10.647 662 HG13 ILE 104 2HG1 ILE 104 11.858 6.605 9.758 663 HG21 ILE 104 1HG2 ILE 104 14.968 8.479 8.976 664 HG22 ILE 104 2HG2 ILE 104 15.061 8.350 10.759 665 HG23 ILE 104 3HG2 ILE 104 16.098 7.366 9.744 666 HD11 ILE 104 3HD1 ILE 104 12.990 9.011 11.236 667 HD12 ILE 104 1HD1 ILE 104 11.318 8.442 11.204 668 HD13 ILE 104 2HD1 ILE 104 12.559 7.468 12.014 Start of MODEL 9 1 H1 MET 1 H MET 1 15.937 9.238 -20.816 2 HA MET 1 HA MET 1 14.079 10.714 -20.415 3 HB3 MET 1 2HB MET 1 13.438 8.836 -18.094 4 HG3 MET 1 2HG MET 1 12.890 11.154 -17.593 5 HE1 MET 1 3HE MET 1 11.289 13.317 -17.789 6 HE2 MET 1 1HE MET 1 12.953 13.568 -18.369 7 HE3 MET 1 2HE MET 1 11.598 14.207 -19.304 8 H THR 2 H THR 2 15.104 12.558 -19.670 9 HA THR 2 HA THR 2 17.322 12.403 -17.873 10 HB THR 2 HB THR 2 17.001 14.958 -18.031 11 HG1 THR 2 1HG THR 2 14.974 15.337 -18.642 12 HG21 THR 2 3HG2 THR 2 18.469 13.582 -19.557 13 HG22 THR 2 1HG2 THR 2 17.832 15.058 -20.284 14 HG23 THR 2 2HG2 THR 2 17.122 13.488 -20.706 15 H THR 3 H THR 3 17.375 13.679 -15.777 16 HA THR 3 HA THR 3 14.791 14.247 -14.593 17 HB THR 3 HB THR 3 15.095 11.835 -14.077 18 HG1 THR 3 1HG THR 3 14.909 12.151 -11.756 19 HG21 THR 3 3HG2 THR 3 17.489 12.696 -12.401 20 HG22 THR 3 1HG2 THR 3 17.567 11.730 -13.895 21 HG23 THR 3 2HG2 THR 3 16.736 11.090 -12.469 22 H PHE 4 H PHE 4 15.167 15.318 -12.451 23 HA PHE 4 HA PHE 4 17.576 17.005 -12.518 24 HB3 PHE 4 2HB PHE 4 16.362 18.582 -11.186 25 HD1 PHE 4 1HD PHE 4 16.674 18.915 -13.930 26 HD2 PHE 4 2HD PHE 4 13.065 17.658 -11.925 27 HE1 PHE 4 1HE PHE 4 15.334 19.538 -15.923 28 HE2 PHE 4 2HE PHE 4 11.738 18.321 -13.889 29 HZ PHE 4 HZ PHE 4 12.857 19.246 -15.914 30 H ASP 5 H ASP 5 18.496 17.370 -10.243 31 HA ASP 5 HA ASP 5 18.754 14.819 -8.823 32 HB3 ASP 5 2HB ASP 5 20.000 16.339 -7.145 33 H ASP 6 H ASP 6 18.111 14.513 -6.606 34 HA ASP 6 HA ASP 6 15.917 16.244 -5.614 35 HB3 ASP 6 2HB ASP 6 15.179 14.001 -6.807 36 H ARG 7 H ARG 7 15.520 15.910 -3.277 37 HA ARG 7 HA ARG 7 18.078 15.675 -1.825 38 HB3 ARG 7 2HB ARG 7 16.415 16.284 0.122 39 HG3 ARG 7 2HG ARG 7 16.439 18.703 -0.506 40 HD3 ARG 7 2HD ARG 7 19.085 17.563 -1.384 41 HE ARG 7 HE ARG 7 18.529 20.056 -0.527 42 HH11 ARG 7 1HH1 ARG 7 20.326 17.326 0.865 43 HH12 ARG 7 2HH1 ARG 7 21.375 18.318 1.833 44 HH21 ARG 7 1HH2 ARG 7 19.760 21.350 1.007 45 HH22 ARG 7 2HH2 ARG 7 21.055 20.622 1.905 46 H GLU 8 H GLU 8 18.341 13.522 -2.381 47 HA GLU 8 HA GLU 8 16.373 11.593 -2.017 48 HB3 GLU 8 2HB GLU 8 18.407 11.776 -3.495 49 HG3 GLU 8 2HG GLU 8 19.867 9.967 -1.652 50 H ARG 9 H ARG 9 19.142 12.253 -0.121 51 HA ARG 9 HA ARG 9 18.126 10.609 2.207 52 HB3 ARG 9 2HB ARG 9 20.356 10.774 3.237 53 HG3 ARG 9 2HG ARG 9 19.791 9.189 1.018 54 HD3 ARG 9 2HD ARG 9 21.384 10.872 -0.172 55 HE ARG 9 HE ARG 9 23.263 9.779 1.736 56 HH11 ARG 9 1HH1 ARG 9 22.887 11.292 -1.546 57 HH12 ARG 9 2HH1 ARG 9 24.562 11.698 -1.601 58 HH21 ARG 9 1HH2 ARG 9 25.572 10.147 1.338 59 HH22 ARG 9 2HH2 ARG 9 26.019 11.060 -0.090 60 H ALA 10 H ALA 10 18.780 11.589 4.406 61 HA ALA 10 HA ALA 10 18.180 12.932 6.017 62 HB1 ALA 10 1HB ALA 10 19.977 14.372 5.202 63 HB2 ALA 10 2HB ALA 10 18.798 15.278 4.216 64 HB3 ALA 10 3HB ALA 10 18.658 15.267 5.989 65 H HIS 11 H HIS 11 16.150 11.777 4.652 66 HA HIS 11 HA HIS 11 13.871 13.474 4.337 67 HB3 HIS 11 2HB HIS 11 13.637 11.312 3.552 68 HD1 HIS 11 1HD HIS 11 13.508 8.731 3.731 69 HD2 HIS 11 2HD HIS 11 15.202 10.682 7.069 70 HE1 HIS 11 1HE HIS 11 14.597 6.932 5.154 71 H GLU 12 H GLU 12 15.733 12.784 7.068 72 HA GLU 12 HA GLU 12 14.172 12.493 9.235 73 HB3 GLU 12 2HB GLU 12 16.564 12.350 9.165 74 HG3 GLU 12 2HG GLU 12 16.757 15.348 9.490 75 H ALA 13 H ALA 13 14.867 15.617 7.722 76 HA ALA 13 HA ALA 13 12.734 16.870 9.393 77 HB1 ALA 13 1HB ALA 13 14.972 17.688 9.976 78 HB2 ALA 13 2HB ALA 13 15.214 18.184 8.289 79 HB3 ALA 13 3HB ALA 13 13.956 18.960 9.270 80 H LYS 14 H LYS 14 12.811 15.499 6.572 81 HA LYS 14 HA LYS 14 11.548 17.743 5.029 82 HB3 LYS 14 2HB LYS 14 11.896 16.036 3.098 83 HG3 LYS 14 2HG LYS 14 14.594 17.087 3.797 84 HD3 LYS 14 2HD LYS 14 12.637 17.303 1.456 85 HE3 LYS 14 2HE LYS 14 14.549 18.178 0.163 86 HZ1 LYS 14 3HZ LYS 14 14.296 20.453 0.883 87 HZ2 LYS 14 1HZ LYS 14 13.540 19.966 2.279 88 HZ3 LYS 14 2HZ LYS 14 12.861 19.671 0.825 89 H PHE 15 H PHE 15 10.913 14.697 6.675 90 HA PHE 15 HA PHE 15 8.513 14.103 5.191 91 HB3 PHE 15 2HB PHE 15 8.124 13.316 7.850 92 HD1 PHE 15 2HD PHE 15 9.681 12.324 4.553 93 HD2 PHE 15 1HD PHE 15 7.903 10.969 8.238 94 HE1 PHE 15 2HE PHE 15 9.236 10.122 3.549 95 HE2 PHE 15 1HE PHE 15 7.510 8.724 7.225 96 HZ PHE 15 HZ PHE 15 8.087 8.363 4.846 97 H ALA 16 H ALA 16 9.295 16.472 7.653 98 HA ALA 16 HA ALA 16 6.528 17.389 7.942 99 HB1 ALA 16 1HB ALA 16 7.568 19.027 9.467 100 HB2 ALA 16 2HB ALA 16 8.181 17.407 9.820 101 HB3 ALA 16 3HB ALA 16 9.176 18.559 8.897 102 H HIS 17 H HIS 17 7.725 17.493 5.110 103 HA HIS 17 HA HIS 17 6.930 20.112 4.458 104 HB3 HIS 17 2HB HIS 17 9.849 19.797 3.814 105 HD1 HIS 17 1HD HIS 17 9.718 21.936 2.152 106 HD2 HIS 17 2HD HIS 17 7.784 22.391 5.880 107 HE1 HIS 17 1HE HIS 17 9.011 24.377 2.316 108 H ASP 18 H ASP 18 8.117 20.463 2.013 109 HA ASP 18 HA ASP 18 8.287 19.797 -0.130 110 HB3 ASP 18 2HB ASP 18 9.681 17.676 -0.448 111 H ALA 19 H ALA 19 8.124 17.245 -1.381 112 HA ALA 19 HA ALA 19 5.765 15.938 -0.260 113 HB1 ALA 19 1HB ALA 19 4.665 15.700 -2.499 114 HB2 ALA 19 2HB ALA 19 4.688 17.394 -1.950 115 HB3 ALA 19 3HB ALA 19 5.856 16.829 -3.177 116 H GLU 20 H GLU 20 8.485 15.953 -2.538 117 HA GLU 20 HA GLU 20 8.286 13.579 -3.737 118 HB3 GLU 20 2HB GLU 20 10.710 13.553 -3.950 119 HG3 GLU 20 2HG GLU 20 9.257 15.515 -5.012 120 H LEU 21 H LEU 21 9.502 13.994 -0.397 121 HA LEU 21 HA LEU 21 10.050 11.066 -0.228 122 HB3 LEU 21 2HB LEU 21 11.094 11.580 1.919 123 HG LEU 21 HG LEU 21 11.899 13.646 -0.181 124 HD11 LEU 21 1HD1 LEU 21 13.844 14.047 0.936 125 HD12 LEU 21 2HD1 LEU 21 13.829 12.522 1.816 126 HD13 LEU 21 3HD1 LEU 21 12.733 13.851 2.294 127 HD21 LEU 21 3HD2 LEU 21 12.068 11.437 -1.183 128 HD22 LEU 21 1HD2 LEU 21 12.886 10.792 0.266 129 HD23 LEU 21 2HD2 LEU 21 13.693 11.987 -0.772 130 H ASN 22 H ASN 22 7.826 13.510 1.234 131 HA ASN 22 HA ASN 22 6.386 11.813 2.954 132 HB3 ASN 22 2HB ASN 22 5.400 14.054 1.144 133 HD21 ASN 22 1HD2 ASN 22 3.190 14.111 0.893 134 HD22 ASN 22 2HD2 ASN 22 2.079 13.162 1.876 135 H PHE 23 H PHE 23 6.047 12.320 -0.548 136 HA PHE 23 HA PHE 23 3.788 10.711 -1.032 137 HB3 PHE 23 2HB PHE 23 5.993 11.043 -3.046 138 HD1 PHE 23 2HD PHE 23 2.738 12.811 -2.730 139 HD2 PHE 23 1HD PHE 23 4.793 9.481 -4.504 140 HE1 PHE 23 2HE PHE 23 0.831 12.481 -4.287 141 HE2 PHE 23 1HE PHE 23 2.898 9.167 -6.102 142 HZ PHE 23 HZ PHE 23 0.886 10.664 -5.944 143 H LYS 24 H LYS 24 7.346 9.809 -1.037 144 HA LYS 24 HA LYS 24 7.171 7.236 -1.791 145 HB3 LYS 24 2HB LYS 24 8.817 7.627 0.659 146 HG3 LYS 24 2HG LYS 24 9.918 7.548 -2.141 147 HD3 LYS 24 2HD LYS 24 11.129 5.487 -1.036 148 HE3 LYS 24 2HE LYS 24 11.826 8.265 -0.005 149 HZ1 LYS 24 3HZ LYS 24 13.287 6.534 0.800 150 HZ2 LYS 24 1HZ LYS 24 14.047 7.450 -0.339 151 HZ3 LYS 24 2HZ LYS 24 13.532 5.955 -0.730 152 H ALA 25 H ALA 25 6.277 8.572 1.368 153 HA ALA 25 HA ALA 25 5.510 6.021 2.526 154 HB1 ALA 25 1HB ALA 25 4.471 8.061 4.144 155 HB2 ALA 25 2HB ALA 25 6.091 7.382 4.324 156 HB3 ALA 25 3HB ALA 25 5.860 8.867 3.414 157 H GLU 26 H GLU 26 3.629 8.968 1.715 158 HA GLU 26 HA GLU 26 1.125 7.824 2.328 159 HB3 GLU 26 2HB GLU 26 1.827 10.102 0.454 160 HG3 GLU 26 2HG GLU 26 -0.682 9.437 0.607 161 H ALA 27 H ALA 27 3.143 7.255 -0.376 162 HA ALA 27 HA ALA 27 0.936 6.050 -1.996 163 HB1 ALA 27 1HB ALA 27 1.927 8.116 -3.008 164 HB2 ALA 27 2HB ALA 27 3.456 7.218 -3.173 165 HB3 ALA 27 3HB ALA 27 2.004 6.649 -4.000 166 H ARG 28 H ARG 28 2.418 4.735 0.137 167 HA ARG 28 HA ARG 28 3.179 2.411 -1.577 168 HB3 ARG 28 2HB ARG 28 5.214 3.494 -0.677 169 HG3 ARG 28 2HG ARG 28 3.873 3.475 1.813 170 HD3 ARG 28 2HD ARG 28 4.628 0.985 1.684 171 HE ARG 28 HE ARG 28 7.213 2.301 1.748 172 HH11 ARG 28 1HH1 ARG 28 5.439 -0.418 3.089 173 HH12 ARG 28 2HH1 ARG 28 6.832 -1.241 3.682 174 HH21 ARG 28 1HH2 ARG 28 9.181 1.161 2.530 175 HH22 ARG 28 2HH2 ARG 28 9.012 -0.343 3.221 176 H ARG 29 H ARG 29 0.738 3.395 0.201 177 HA ARG 29 HA ARG 29 0.559 1.344 2.257 178 HB3 ARG 29 2HB ARG 29 -0.663 3.446 2.578 179 HG3 ARG 29 2HG ARG 29 -2.186 2.695 0.070 180 HD3 ARG 29 2HD ARG 29 -2.926 4.747 2.205 181 HE ARG 29 HE ARG 29 -4.002 5.658 0.449 182 HH11 ARG 29 1HH1 ARG 29 -4.314 2.090 0.099 183 HH12 ARG 29 2HH1 ARG 29 -5.303 2.212 -1.320 184 HH21 ARG 29 1HH2 ARG 29 -5.546 5.735 -1.350 185 HH22 ARG 29 2HH2 ARG 29 -5.880 4.284 -2.199 186 H ASN 30 H ASN 30 -0.101 1.294 -1.173 187 HA ASN 30 HA ASN 30 -1.782 -1.079 -0.933 188 HB3 ASN 30 2HB ASN 30 -1.352 -1.290 -3.417 189 HD21 ASN 30 1HD2 ASN 30 -3.792 -1.061 -3.036 190 HD22 ASN 30 2HD2 ASN 30 -4.466 0.544 -2.987 191 H ARG 31 H ARG 31 1.678 -0.664 -0.670 192 HA ARG 31 HA ARG 31 2.376 -3.039 -2.148 193 HB3 ARG 31 2HB ARG 31 3.853 -1.004 -1.704 194 HG3 ARG 31 2HG ARG 31 3.678 -1.449 0.941 195 HD3 ARG 31 2HD ARG 31 4.962 -3.756 0.583 196 HE ARG 31 HE ARG 31 6.841 -2.549 -0.711 197 HH11 ARG 31 1HH1 ARG 31 7.043 -3.777 2.633 198 HH12 ARG 31 2HH1 ARG 31 8.759 -3.448 2.722 199 HH21 ARG 31 1HH2 ARG 31 9.044 -2.006 -0.470 200 HH22 ARG 31 2HH2 ARG 31 9.882 -2.473 0.980 201 H LEU 32 H LEU 32 1.177 -2.606 0.955 202 HA LEU 32 HA LEU 32 2.111 -5.251 1.945 203 HB3 LEU 32 2HB LEU 32 3.297 -3.624 3.066 204 HG LEU 32 HG LEU 32 2.189 -1.527 2.640 205 HD11 LEU 32 1HD1 LEU 32 0.210 -0.805 3.921 206 HD12 LEU 32 2HD1 LEU 32 0.002 -2.477 4.514 207 HD13 LEU 32 3HD1 LEU 32 -0.148 -2.094 2.781 208 HD21 LEU 32 3HD2 LEU 32 2.373 -2.158 5.599 209 HD22 LEU 32 1HD2 LEU 32 2.410 -0.529 4.887 210 HD23 LEU 32 2HD2 LEU 32 3.715 -1.684 4.548 211 H LEU 33 H LEU 33 -0.578 -3.829 0.733 212 HA LEU 33 HA LEU 33 -2.693 -4.643 2.525 213 HB3 LEU 33 2HB LEU 33 -3.645 -4.929 -0.114 214 HG LEU 33 HG LEU 33 -3.422 -2.380 1.522 215 HD11 LEU 33 1HD1 LEU 33 -4.959 -1.378 -0.041 216 HD12 LEU 33 2HD1 LEU 33 -5.169 -2.907 -0.928 217 HD13 LEU 33 3HD1 LEU 33 -3.642 -2.038 -0.998 218 HD21 LEU 33 3HD2 LEU 33 -4.900 -4.156 2.519 219 HD22 LEU 33 1HD2 LEU 33 -5.768 -4.283 0.982 220 HD23 LEU 33 2HD2 LEU 33 -5.844 -2.788 1.915 221 H GLY 34 H GLY 34 -0.627 -6.393 0.245 222 HA2 GLY 34 1HA GLY 34 -2.276 -8.626 -0.123 223 HA3 GLY 34 2HA GLY 34 -0.506 -8.656 -0.225 224 H GLU 35 H GLU 35 0.020 -7.860 2.470 225 HA GLU 35 HA GLU 35 0.294 -10.352 3.623 226 HB3 GLU 35 2HB GLU 35 1.055 -9.032 5.632 227 HG3 GLU 35 2HG GLU 35 1.948 -8.301 2.815 228 H TRP 36 H TRP 36 -2.294 -8.008 4.087 229 HA TRP 36 HA TRP 36 -3.756 -9.293 6.228 230 HB3 TRP 36 2HB TRP 36 -4.391 -7.314 4.018 231 HD1 TRP 36 HD TRP 36 -6.330 -8.900 6.966 232 HE1 TRP 36 1HE TRP 36 -8.848 -8.871 6.400 233 HE3 TRP 36 3HE TRP 36 -6.084 -6.739 2.340 234 HZ2 TRP 36 2HZ TRP 36 -10.467 -8.253 4.140 235 HZ3 TRP 36 3HZ TRP 36 -8.129 -6.558 0.947 236 HH2 TRP 36 HH TRP 36 -10.336 -7.275 1.847 237 H ALA 37 H ALA 37 -4.399 -9.164 2.691 238 HA ALA 37 HA ALA 37 -6.485 -11.093 2.815 239 HB1 ALA 37 1HB ALA 37 -6.333 -11.029 0.323 240 HB2 ALA 37 2HB ALA 37 -6.267 -9.393 1.023 241 HB3 ALA 37 3HB ALA 37 -4.780 -10.178 0.444 242 H ALA 38 H ALA 38 -3.033 -11.539 2.527 243 HA ALA 38 HA ALA 38 -3.080 -14.331 1.759 244 HB1 ALA 38 1HB ALA 38 -1.012 -12.581 3.170 245 HB2 ALA 38 2HB ALA 38 -0.736 -14.235 2.582 246 HB3 ALA 38 3HB ALA 38 -1.095 -12.952 1.432 247 H GLY 39 H GLY 39 -2.690 -12.570 4.899 248 HA2 GLY 39 1HA GLY 39 -2.532 -14.728 6.637 249 HA3 GLY 39 2HA GLY 39 -3.238 -13.149 7.030 250 H LEU 40 H LEU 40 -5.483 -13.089 5.452 251 HA LEU 40 HA LEU 40 -7.407 -14.618 6.864 252 HB3 LEU 40 2HB LEU 40 -8.919 -13.957 4.907 253 HG LEU 40 HG LEU 40 -7.370 -11.521 5.834 254 HD11 LEU 40 1HD1 LEU 40 -9.032 -11.060 4.171 255 HD12 LEU 40 2HD1 LEU 40 -9.732 -10.568 5.720 256 HD13 LEU 40 3HD1 LEU 40 -10.249 -12.077 4.985 257 HD21 LEU 40 3HD2 LEU 40 -8.965 -11.473 7.766 258 HD22 LEU 40 1HD2 LEU 40 -7.766 -12.765 7.833 259 HD23 LEU 40 2HD2 LEU 40 -9.440 -13.144 7.347 260 H LEU 41 H LEU 41 -5.771 -15.409 3.920 261 HA LEU 41 HA LEU 41 -7.450 -17.817 3.413 262 HB3 LEU 41 2HB LEU 41 -5.867 -18.206 1.515 263 HG LEU 41 HG LEU 41 -6.959 -15.372 1.525 264 HD11 LEU 41 1HD1 LEU 41 -5.150 -15.924 -0.129 265 HD12 LEU 41 2HD1 LEU 41 -6.704 -15.510 -0.881 266 HD13 LEU 41 3HD1 LEU 41 -6.183 -17.209 -0.773 267 HD21 LEU 41 3HD2 LEU 41 -8.802 -16.926 1.866 268 HD22 LEU 41 1HD2 LEU 41 -8.210 -17.979 0.568 269 HD23 LEU 41 2HD2 LEU 41 -8.829 -16.360 0.196 270 H GLY 42 H GLY 42 -4.954 -17.150 5.554 271 HA2 GLY 42 1HA GLY 42 -3.819 -18.697 6.890 272 HA3 GLY 42 2HA GLY 42 -4.261 -19.996 5.787 273 H LYS 43 H LYS 43 -2.837 -17.151 4.280 274 HA LYS 43 HA LYS 43 -0.308 -18.608 3.778 275 HB3 LYS 43 2HB LYS 43 -0.126 -16.847 1.982 276 HG3 LYS 43 2HG LYS 43 -2.368 -17.554 0.779 277 HD3 LYS 43 2HD LYS 43 -0.326 -19.669 1.588 278 HE3 LYS 43 2HE LYS 43 -2.492 -20.157 0.071 279 HZ1 LYS 43 3HZ LYS 43 -2.036 -18.546 -1.618 280 HZ2 LYS 43 1HZ LYS 43 -1.686 -20.028 -2.262 281 HZ3 LYS 43 2HZ LYS 43 -0.485 -19.022 -1.771 282 H THR 44 H THR 44 1.520 -17.869 4.773 283 HA THR 44 HA THR 44 1.875 -15.186 5.654 284 HB THR 44 HB THR 44 2.252 -15.657 8.078 285 HG1 THR 44 1HG THR 44 0.737 -18.046 7.681 286 HG21 THR 44 3HG2 THR 44 -0.626 -16.242 7.312 287 HG22 THR 44 1HG2 THR 44 0.110 -14.621 7.310 288 HG23 THR 44 2HG2 THR 44 -0.062 -15.510 8.831 289 H GLY 45 H GLY 45 4.034 -14.726 5.880 290 HA2 GLY 45 1HA GLY 45 6.372 -15.243 5.757 291 HA3 GLY 45 2HA GLY 45 6.008 -16.972 5.759 292 H ASP 46 H ASP 46 7.212 -17.446 3.844 293 HA ASP 46 HA ASP 46 7.594 -15.665 1.789 294 HB3 ASP 46 2HB ASP 46 7.887 -18.619 1.301 295 H ASP 47 H ASP 47 4.826 -17.790 2.041 296 HA ASP 47 HA ASP 47 4.194 -17.848 -0.822 297 HB3 ASP 47 2HB ASP 47 1.921 -18.258 0.912 298 H ALA 48 H ALA 48 3.018 -16.111 2.141 299 HA ALA 48 HA ALA 48 1.315 -14.226 0.802 300 HB1 ALA 48 1HB ALA 48 2.995 -13.860 3.336 301 HB2 ALA 48 2HB ALA 48 1.582 -12.920 2.852 302 HB3 ALA 48 3HB ALA 48 1.404 -14.635 3.276 303 H ARG 49 H ARG 49 4.826 -14.232 1.568 304 HA ARG 49 HA ARG 49 5.468 -11.666 0.670 305 HB3 ARG 49 2HB ARG 49 7.476 -13.818 0.236 306 HG3 ARG 49 2HG ARG 49 8.570 -12.446 2.089 307 HD3 ARG 49 2HD ARG 49 7.945 -10.712 -0.324 308 HE ARG 49 HE ARG 49 10.644 -11.303 0.699 309 HH11 ARG 49 1HH1 ARG 49 8.043 -8.876 0.670 310 HH12 ARG 49 2HH1 ARG 49 9.104 -7.587 1.150 311 HH21 ARG 49 1HH2 ARG 49 11.963 -9.702 1.281 312 HH22 ARG 49 2HH2 ARG 49 11.501 -8.038 1.374 313 H ALA 50 H ALA 50 4.832 -14.566 -1.308 314 HA ALA 50 HA ALA 50 5.853 -13.347 -3.772 315 HB1 ALA 50 1HB ALA 50 5.785 -15.780 -3.591 316 HB2 ALA 50 2HB ALA 50 4.034 -15.752 -3.287 317 HB3 ALA 50 3HB ALA 50 4.660 -15.231 -4.853 318 H TYR 51 H TYR 51 2.657 -14.054 -2.328 319 HA TYR 51 HA TYR 51 1.061 -12.837 -4.281 320 HB3 TYR 51 2HB TYR 51 0.647 -13.370 -1.325 321 HD1 TYR 51 1HD TYR 51 -1.624 -13.469 -4.312 322 HD2 TYR 51 2HD TYR 51 -0.782 -11.673 -0.473 323 HE1 TYR 51 1HE TYR 51 -3.746 -12.244 -4.423 324 HE2 TYR 51 2HE TYR 51 -2.906 -10.535 -0.526 325 HH TYR 51 HH TYR 51 -5.257 -10.896 -3.211 326 H ALA 52 H ALA 52 2.724 -11.289 -1.556 327 HA ALA 52 HA ALA 52 1.332 -8.852 -1.478 328 HB1 ALA 52 1HB ALA 52 4.318 -9.328 -1.064 329 HB2 ALA 52 2HB ALA 52 3.385 -7.915 -0.493 330 HB3 ALA 52 3HB ALA 52 3.043 -9.522 0.171 331 H LEU 53 H LEU 53 3.345 -10.022 -4.041 332 HA LEU 53 HA LEU 53 4.261 -7.374 -4.897 333 HB3 LEU 53 2HB LEU 53 5.587 -8.677 -6.502 334 HG LEU 53 HG LEU 53 5.543 -9.874 -3.691 335 HD11 LEU 53 1HD1 LEU 53 7.588 -10.412 -5.861 336 HD12 LEU 53 2HD1 LEU 53 6.380 -11.562 -5.224 337 HD13 LEU 53 3HD1 LEU 53 7.616 -10.919 -4.149 338 HD21 LEU 53 3HD2 LEU 53 7.582 -8.613 -3.344 339 HD22 LEU 53 1HD2 LEU 53 6.290 -7.510 -3.863 340 HD23 LEU 53 2HD2 LEU 53 7.551 -8.022 -5.013 341 H THR 54 H THR 54 1.534 -9.383 -5.596 342 HA THR 54 HA THR 54 1.121 -8.200 -8.277 343 HB THR 54 HB THR 54 0.877 -10.523 -8.307 344 HG1 THR 54 1HG THR 54 -1.220 -10.859 -8.823 345 HG21 THR 54 3HG2 THR 54 -0.856 -10.340 -5.818 346 HG22 THR 54 1HG2 THR 54 0.708 -11.185 -6.036 347 HG23 THR 54 2HG2 THR 54 -0.730 -11.787 -6.829 348 H VAL 55 H VAL 55 -0.129 -7.966 -5.001 349 HA VAL 55 HA VAL 55 -2.697 -7.042 -5.580 350 HB VAL 55 HB VAL 55 -1.666 -8.199 -3.569 351 HG11 VAL 55 1HG1 VAL 55 -0.591 -7.026 -1.863 352 HG12 VAL 55 2HG1 VAL 55 0.137 -6.366 -3.315 353 HG13 VAL 55 3HG1 VAL 55 -1.104 -5.433 -2.469 354 HG21 VAL 55 3HG2 VAL 55 -3.250 -7.417 -1.955 355 HG22 VAL 55 1HG2 VAL 55 -3.515 -5.906 -2.849 356 HG23 VAL 55 2HG2 VAL 55 -4.003 -7.471 -3.552 357 H VAL 56 H VAL 56 -0.248 -5.198 -6.623 358 HA VAL 56 HA VAL 56 -0.866 -2.718 -5.219 359 HB VAL 56 HB VAL 56 1.342 -2.121 -6.216 360 HG11 VAL 56 1HG1 VAL 56 1.226 -4.427 -4.249 361 HG12 VAL 56 2HG1 VAL 56 2.580 -3.290 -4.458 362 HG13 VAL 56 3HG1 VAL 56 0.999 -2.705 -3.885 363 HG21 VAL 56 3HG2 VAL 56 1.423 -3.927 -7.932 364 HG22 VAL 56 1HG2 VAL 56 2.862 -3.809 -6.888 365 HG23 VAL 56 2HG2 VAL 56 1.668 -5.101 -6.614 366 H THR 57 H THR 57 -2.849 -3.279 -6.938 367 HA THR 57 HA THR 57 -2.534 -2.084 -9.518 368 HB THR 57 HB THR 57 -4.383 -3.530 -8.866 369 HG1 THR 57 1HG THR 57 -5.479 -2.711 -10.338 370 HG21 THR 57 3HG2 THR 57 -4.900 -2.623 -6.590 371 HG22 THR 57 1HG2 THR 57 -6.306 -2.823 -7.644 372 HG23 THR 57 2HG2 THR 57 -5.650 -1.205 -7.374 373 H SER 58 H SER 58 -3.595 -0.660 -6.413 374 HA SER 58 HA SER 58 -3.869 1.426 -5.677 375 HB3 SER 58 2HB SER 58 -1.655 2.337 -7.540 376 HG SER 58 HG SER 58 -2.423 4.082 -6.455 377 H ASP 59 H ASP 59 -5.921 0.937 -6.774 378 HA ASP 59 HA ASP 59 -6.745 3.061 -8.594 379 HB3 ASP 59 2HB ASP 59 -7.263 0.113 -9.092 380 H PHE 60 H PHE 60 -8.272 3.971 -7.239 381 HA PHE 60 HA PHE 60 -10.285 2.449 -5.890 382 HB3 PHE 60 2HB PHE 60 -8.335 3.528 -3.854 383 HD1 PHE 60 1HD PHE 60 -9.380 0.037 -4.471 384 HD2 PHE 60 2HD PHE 60 -10.201 3.596 -2.173 385 HE1 PHE 60 1HE PHE 60 -11.055 -1.226 -3.070 386 HE2 PHE 60 2HE PHE 60 -11.775 2.324 -0.778 387 HZ PHE 60 HZ PHE 60 -12.237 -0.074 -1.279 388 H ASP 61 H ASP 61 -9.856 5.072 -7.473 389 HA ASP 61 HA ASP 61 -10.268 7.090 -5.367 390 HB3 ASP 61 2HB ASP 61 -10.007 7.697 -8.310 391 H GLU 62 H GLU 62 -12.343 6.407 -4.738 392 HA GLU 62 HA GLU 62 -14.603 6.279 -4.693 393 HB3 GLU 62 2HB GLU 62 -14.728 8.376 -6.872 394 HG3 GLU 62 2HG GLU 62 -16.432 7.782 -4.427 395 HA PRO 63 HA PRO 63 -13.810 3.718 -8.483 396 HB3 PRO 63 2HB PRO 63 -12.184 2.593 -7.221 397 HG3 PRO 63 2HG PRO 63 -12.620 1.907 -4.945 398 HD3 PRO 63 2HD PRO 63 -12.784 4.240 -5.013 399 H GLY 64 H GLY 64 -14.679 1.550 -9.294 400 HA2 GLY 64 1HA GLY 64 -17.521 1.627 -9.447 401 HA3 GLY 64 2HA GLY 64 -16.454 0.409 -10.148 402 H ASP 65 H ASP 65 -18.424 -0.838 -9.550 403 HA ASP 65 HA ASP 65 -18.811 -1.733 -6.768 404 HB3 ASP 65 2HB ASP 65 -20.507 -3.246 -7.860 405 H GLU 66 H GLU 66 -16.405 -2.376 -8.941 406 HA GLU 66 HA GLU 66 -15.540 -4.915 -8.060 407 HB3 GLU 66 2HB GLU 66 -16.704 -5.061 -10.883 408 HG3 GLU 66 2HG GLU 66 -16.862 -7.380 -8.987 409 H ASP 67 H ASP 67 -14.492 -5.699 -10.608 410 HA ASP 67 HA ASP 67 -12.714 -5.677 -11.747 411 HB3 ASP 67 2HB ASP 67 -12.628 -2.690 -12.109 412 H VAL 68 H VAL 68 -12.256 -2.724 -9.819 413 HA VAL 68 HA VAL 68 -9.562 -3.048 -9.030 414 HB VAL 68 HB VAL 68 -12.013 -1.797 -7.738 415 HG11 VAL 68 1HG1 VAL 68 -10.552 -0.631 -6.170 416 HG12 VAL 68 2HG1 VAL 68 -10.544 -2.362 -5.846 417 HG13 VAL 68 3HG1 VAL 68 -9.166 -1.619 -6.686 418 HG21 VAL 68 3HG2 VAL 68 -9.504 -0.507 -8.895 419 HG22 VAL 68 1HG2 VAL 68 -11.032 -0.690 -9.786 420 HG23 VAL 68 2HG2 VAL 68 -10.948 0.329 -8.337 421 H PHE 69 H PHE 69 -12.494 -3.991 -7.124 422 HA PHE 69 HA PHE 69 -10.870 -5.760 -5.511 423 HB3 PHE 69 2HB PHE 69 -12.279 -5.114 -4.032 424 HD1 PHE 69 2HD PHE 69 -12.647 -2.676 -4.860 425 HD2 PHE 69 1HD PHE 69 -15.486 -5.897 -5.304 426 HE1 PHE 69 2HE PHE 69 -14.515 -1.030 -4.932 427 HE2 PHE 69 1HE PHE 69 -17.338 -4.254 -5.158 428 HZ PHE 69 HZ PHE 69 -16.858 -1.840 -5.046 429 H ARG 70 H ARG 70 -12.188 -6.339 -8.531 430 HA ARG 70 HA ARG 70 -13.532 -8.774 -8.317 431 HB3 ARG 70 2HB ARG 70 -12.984 -7.226 -10.378 432 HG3 ARG 70 2HG ARG 70 -11.348 -9.676 -11.067 433 HD3 ARG 70 2HD ARG 70 -11.261 -7.000 -12.454 434 HE ARG 70 HE ARG 70 -10.153 -9.605 -12.937 435 HH11 ARG 70 1HH1 ARG 70 -11.400 -6.755 -14.654 436 HH12 ARG 70 2HH1 ARG 70 -10.465 -6.988 -16.052 437 HH21 ARG 70 1HH2 ARG 70 -8.571 -9.591 -14.587 438 HH22 ARG 70 2HH2 ARG 70 -8.759 -8.590 -15.988 439 H LYS 71 H LYS 71 -10.154 -8.472 -7.771 440 HA LYS 71 HA LYS 71 -9.930 -11.460 -7.762 441 HB3 LYS 71 2HB LYS 71 -7.356 -10.380 -7.567 442 HG3 LYS 71 2HG LYS 71 -8.033 -12.333 -8.843 443 HD3 LYS 71 2HD LYS 71 -8.799 -10.400 -11.071 444 HE3 LYS 71 2HE LYS 71 -9.327 -12.328 -12.348 445 HZ1 LYS 71 3HZ LYS 71 -6.922 -12.321 -12.027 446 HZ2 LYS 71 1HZ LYS 71 -7.491 -13.868 -12.107 447 HZ3 LYS 71 2HZ LYS 71 -7.071 -13.252 -10.664 448 H LEU 72 H LEU 72 -10.292 -8.836 -5.698 449 HA LEU 72 HA LEU 72 -8.513 -9.912 -3.595 450 HB3 LEU 72 2HB LEU 72 -10.145 -7.329 -3.682 451 HG LEU 72 HG LEU 72 -9.392 -7.766 -1.403 452 HD11 LEU 72 1HD1 LEU 72 -7.592 -9.373 -1.681 453 HD12 LEU 72 2HD1 LEU 72 -6.895 -7.935 -0.940 454 HD13 LEU 72 3HD1 LEU 72 -6.646 -8.243 -2.676 455 HD21 LEU 72 3HD2 LEU 72 -9.197 -5.483 -2.442 456 HD22 LEU 72 1HD2 LEU 72 -7.509 -5.814 -2.832 457 HD23 LEU 72 2HD2 LEU 72 -8.027 -5.733 -1.140 458 H ALA 73 H ALA 73 -11.794 -8.663 -4.073 459 HA ALA 73 HA ALA 73 -13.100 -9.888 -1.838 460 HB1 ALA 73 1HB ALA 73 -14.119 -8.946 -4.552 461 HB2 ALA 73 2HB ALA 73 -15.163 -9.504 -3.240 462 HB3 ALA 73 3HB ALA 73 -14.189 -8.060 -3.023 463 H ALA 74 H ALA 74 -12.833 -10.954 -5.296 464 HA ALA 74 HA ALA 74 -14.033 -13.435 -4.925 465 HB1 ALA 74 1HB ALA 74 -13.068 -14.034 -7.079 466 HB2 ALA 74 2HB ALA 74 -13.568 -12.343 -7.117 467 HB3 ALA 74 3HB ALA 74 -11.847 -12.757 -6.932 468 H ASP 75 H ASP 75 -10.804 -12.603 -3.882 469 HA ASP 75 HA ASP 75 -9.920 -15.437 -3.771 470 HB3 ASP 75 2HB ASP 75 -8.393 -13.648 -2.039 471 H LEU 76 H LEU 76 -10.842 -12.716 -1.699 472 HA LEU 76 HA LEU 76 -11.142 -14.299 0.730 473 HB3 LEU 76 2HB LEU 76 -11.703 -12.071 1.684 474 HG LEU 76 HG LEU 76 -9.237 -11.944 -0.122 475 HD11 LEU 76 1HD1 LEU 76 -8.475 -10.250 1.514 476 HD12 LEU 76 2HD1 LEU 76 -10.050 -10.329 2.315 477 HD13 LEU 76 3HD1 LEU 76 -9.929 -9.747 0.645 478 HD21 LEU 76 3HD2 LEU 76 -9.649 -12.976 2.714 479 HD22 LEU 76 1HD2 LEU 76 -8.057 -12.613 1.997 480 HD23 LEU 76 2HD2 LEU 76 -9.058 -13.884 1.313 481 H GLU 77 H GLU 77 -12.770 -15.207 -1.321 482 HA GLU 77 HA GLU 77 -15.468 -14.392 -1.306 483 HB3 GLU 77 2HB GLU 77 -14.187 -17.140 -1.656 484 HG3 GLU 77 2HG GLU 77 -16.834 -16.006 -2.636 485 H GLY 78 H GLY 78 -16.684 -14.207 0.483 486 HA2 GLY 78 1HA GLY 78 -17.829 -14.820 2.395 487 HA3 GLY 78 2HA GLY 78 -16.923 -16.337 2.466 488 H LYS 79 H LYS 79 -14.762 -13.735 2.217 489 HA LYS 79 HA LYS 79 -14.462 -13.490 5.183 490 HB3 LYS 79 2HB LYS 79 -11.988 -13.633 4.828 491 HG3 LYS 79 2HG LYS 79 -13.382 -16.152 3.860 492 HD3 LYS 79 2HD LYS 79 -11.725 -17.043 5.730 493 HE3 LYS 79 2HE LYS 79 -9.751 -17.078 4.073 494 HZ1 LYS 79 3HZ LYS 79 -10.955 -18.557 2.544 495 HZ2 LYS 79 1HZ LYS 79 -12.375 -18.090 3.108 496 HZ3 LYS 79 2HZ LYS 79 -11.337 -18.904 4.105 497 H ALA 80 H ALA 80 -14.991 -11.682 2.416 498 HA ALA 80 HA ALA 80 -14.263 -9.282 3.910 499 HB1 ALA 80 1HB ALA 80 -12.165 -9.628 2.707 500 HB2 ALA 80 2HB ALA 80 -13.036 -9.775 1.157 501 HB3 ALA 80 3HB ALA 80 -13.025 -8.231 2.032 502 H ASP 81 H ASP 81 -16.269 -8.424 3.945 503 HA ASP 81 HA ASP 81 -18.101 -8.403 1.698 504 HB3 ASP 81 2HB ASP 81 -19.373 -6.811 2.966 505 H GLU 82 H GLU 82 -18.643 -6.237 0.573 506 HA GLU 82 HA GLU 82 -16.481 -5.038 -0.723 507 HB3 GLU 82 2HB GLU 82 -18.145 -3.210 -1.219 508 HG3 GLU 82 2HG GLU 82 -18.870 -6.121 -1.628 509 H GLU 83 H GLU 83 -18.058 -4.131 2.331 510 HA GLU 83 HA GLU 83 -16.649 -1.567 2.517 511 HB3 GLU 83 2HB GLU 83 -17.618 -1.552 4.860 512 HG3 GLU 83 2HG GLU 83 -19.675 -1.869 2.653 513 H THR 84 H THR 84 -15.836 -4.841 3.220 514 HA THR 84 HA THR 84 -13.892 -4.262 5.322 515 HB THR 84 HB THR 84 -14.291 -6.628 3.473 516 HG1 THR 84 1HG THR 84 -15.858 -6.061 5.267 517 HG21 THR 84 3HG2 THR 84 -11.963 -6.551 4.258 518 HG22 THR 84 1HG2 THR 84 -12.838 -7.880 5.037 519 HG23 THR 84 2HG2 THR 84 -12.528 -6.378 5.934 520 H ILE 85 H ILE 85 -13.883 -4.565 1.682 521 HA ILE 85 HA ILE 85 -11.026 -4.424 1.514 522 HB ILE 85 HB ILE 85 -13.074 -3.611 -0.620 523 HG13 ILE 85 2HG1 ILE 85 -12.307 -6.212 0.532 524 HG21 ILE 85 1HG2 ILE 85 -10.117 -4.156 -0.840 525 HG22 ILE 85 2HG2 ILE 85 -11.244 -4.050 -2.218 526 HG23 ILE 85 3HG2 ILE 85 -10.980 -2.646 -1.178 527 HD11 ILE 85 3HD1 ILE 85 -13.842 -5.668 -2.032 528 HD12 ILE 85 1HD1 ILE 85 -13.893 -7.130 -1.005 529 HD13 ILE 85 2HD1 ILE 85 -14.518 -5.600 -0.388 530 H ARG 86 H ARG 86 -13.489 -1.805 0.902 531 HA ARG 86 HA ARG 86 -11.619 0.245 0.771 532 HB3 ARG 86 2HB ARG 86 -13.990 0.572 0.209 533 HG3 ARG 86 2HG ARG 86 -14.574 -0.325 2.795 534 HD3 ARG 86 2HD ARG 86 -15.392 2.565 2.590 535 HE ARG 86 HE ARG 86 -15.676 0.447 4.698 536 HH11 ARG 86 1HH1 ARG 86 -16.988 3.481 3.304 537 HH12 ARG 86 2HH1 ARG 86 -17.809 3.924 4.744 538 HH21 ARG 86 1HH2 ARG 86 -17.228 0.878 6.433 539 HH22 ARG 86 2HH2 ARG 86 -18.194 2.265 6.318 540 H ALA 87 H ALA 87 -13.064 -1.097 3.702 541 HA ALA 87 HA ALA 87 -12.016 0.830 5.393 542 HB1 ALA 87 1HB ALA 87 -12.599 -2.095 6.034 543 HB2 ALA 87 2HB ALA 87 -12.253 -0.850 7.248 544 HB3 ALA 87 3HB ALA 87 -13.698 -0.706 6.236 545 H LYS 88 H LYS 88 -10.674 -2.371 4.487 546 HA LYS 88 HA LYS 88 -8.314 -2.126 6.016 547 HB3 LYS 88 2HB LYS 88 -7.653 -3.934 3.986 548 HG3 LYS 88 2HG LYS 88 -7.712 -4.198 6.541 549 HD3 LYS 88 2HD LYS 88 -10.526 -5.194 5.908 550 HE3 LYS 88 2HE LYS 88 -9.410 -6.378 7.805 551 HZ1 LYS 88 3HZ LYS 88 -9.258 -3.628 8.922 552 HZ2 LYS 88 1HZ LYS 88 -8.062 -4.766 8.903 553 HZ3 LYS 88 2HZ LYS 88 -9.351 -4.954 9.868 554 H MET 89 H MET 89 -8.809 -1.316 2.542 555 HA MET 89 HA MET 89 -6.062 -0.702 2.103 556 HB3 MET 89 2HB MET 89 -6.682 0.617 0.263 557 HG3 MET 89 2HG MET 89 -8.833 -1.436 0.022 558 HE1 MET 89 3HE MET 89 -7.571 -2.759 -3.445 559 HE2 MET 89 1HE MET 89 -7.603 -3.334 -1.753 560 HE3 MET 89 2HE MET 89 -9.054 -2.609 -2.482 561 H VAL 90 H VAL 90 -8.688 1.321 3.411 562 HA VAL 90 HA VAL 90 -7.097 3.703 3.663 563 HB VAL 90 HB VAL 90 -9.720 2.748 4.870 564 HG11 VAL 90 1HG1 VAL 90 -8.851 4.406 6.430 565 HG12 VAL 90 2HG1 VAL 90 -8.474 5.518 5.095 566 HG13 VAL 90 3HG1 VAL 90 -10.165 5.114 5.489 567 HG21 VAL 90 3HG2 VAL 90 -9.231 4.870 2.751 568 HG22 VAL 90 1HG2 VAL 90 -9.678 3.195 2.392 569 HG23 VAL 90 2HG2 VAL 90 -10.785 4.217 3.300 570 H GLU 91 H GLU 91 -7.786 0.953 5.917 571 HA GLU 91 HA GLU 91 -6.910 2.137 8.286 572 HB3 GLU 91 2HB GLU 91 -6.294 -0.355 8.862 573 HG3 GLU 91 2HG GLU 91 -9.113 0.490 8.115 574 H LEU 92 H LEU 92 -5.025 0.200 5.981 575 HA LEU 92 HA LEU 92 -2.664 -0.014 7.548 576 HB3 LEU 92 2HB LEU 92 -1.713 -0.871 5.358 577 HG LEU 92 HG LEU 92 -4.325 -1.956 6.472 578 HD11 LEU 92 1HD1 LEU 92 -2.702 -3.097 4.179 579 HD12 LEU 92 2HD1 LEU 92 -4.360 -2.431 4.103 580 HD13 LEU 92 3HD1 LEU 92 -4.044 -3.916 5.021 581 HD21 LEU 92 3HD2 LEU 92 -2.277 -2.258 7.842 582 HD22 LEU 92 1HD2 LEU 92 -1.468 -3.041 6.468 583 HD23 LEU 92 2HD2 LEU 92 -2.880 -3.801 7.225 584 H ARG 93 H ARG 93 -3.770 2.761 6.358 585 HA ARG 93 HA ARG 93 -1.607 3.789 4.800 586 HB3 ARG 93 2HB ARG 93 -3.951 5.102 6.236 587 HG3 ARG 93 2HG ARG 93 -2.192 6.180 4.005 588 HD3 ARG 93 2HD ARG 93 -4.882 7.134 5.085 589 HE ARG 93 HE ARG 93 -2.762 8.566 3.686 590 HH11 ARG 93 1HH1 ARG 93 -6.348 8.446 3.960 591 HH12 ARG 93 2HH1 ARG 93 -6.491 10.173 3.861 592 HH21 ARG 93 1HH2 ARG 93 -3.039 10.767 3.369 593 HH22 ARG 93 2HH2 ARG 93 -4.624 11.451 3.185 594 H ALA 94 H ALA 94 -2.037 3.425 8.277 595 HA ALA 94 HA ALA 94 -0.104 5.519 8.961 596 HB1 ALA 94 1HB ALA 94 -0.305 4.775 11.203 597 HB2 ALA 94 2HB ALA 94 -1.950 4.706 10.518 598 HB3 ALA 94 3HB ALA 94 -1.008 3.225 10.748 599 H THR 95 H THR 95 -0.150 1.912 9.047 600 HA THR 95 HA THR 95 2.543 1.403 9.500 601 HB THR 95 HB THR 95 0.577 -0.128 7.746 602 HG1 THR 95 1HG THR 95 1.074 -0.124 10.543 603 HG21 THR 95 3HG2 THR 95 2.941 -1.179 9.364 604 HG22 THR 95 1HG2 THR 95 2.931 -0.985 7.600 605 HG23 THR 95 2HG2 THR 95 1.818 -2.127 8.361 606 H ALA 96 H ALA 96 0.945 2.181 6.404 607 HA ALA 96 HA ALA 96 3.072 1.817 4.642 608 HB1 ALA 96 1HB ALA 96 0.715 2.420 4.102 609 HB2 ALA 96 2HB ALA 96 1.049 4.093 4.586 610 HB3 ALA 96 3HB ALA 96 1.915 3.397 3.207 611 H ARG 97 H ARG 97 2.407 4.802 6.599 612 HA ARG 97 HA ARG 97 4.811 6.020 5.436 613 HB3 ARG 97 2HB ARG 97 2.884 7.436 5.792 614 HG3 ARG 97 2HG ARG 97 3.355 7.388 8.800 615 HD3 ARG 97 2HD ARG 97 1.140 8.507 8.820 616 HE ARG 97 HE ARG 97 3.331 9.859 8.210 617 HH11 ARG 97 1HH1 ARG 97 0.159 10.146 6.484 618 HH12 ARG 97 2HH1 ARG 97 0.487 11.823 6.120 619 HH21 ARG 97 1HH2 ARG 97 3.514 12.091 7.788 620 HH22 ARG 97 2HH2 ARG 97 2.357 12.874 6.767 621 H GLU 98 H GLU 98 3.878 4.439 8.481 622 HA GLU 98 HA GLU 98 6.114 5.018 10.027 623 HB3 GLU 98 2HB GLU 98 5.408 2.657 10.943 624 HG3 GLU 98 2HG GLU 98 3.138 3.991 11.568 625 H GLN 99 H GLN 99 5.621 2.380 7.585 626 HA GLN 99 HA GLN 99 8.003 0.977 8.150 627 HB3 GLN 99 2HB GLN 99 7.773 0.248 5.678 628 HG3 GLN 99 2HG GLN 99 5.564 -0.280 7.693 629 HE21 GLN 99 1HE2 GLN 99 4.812 -2.504 7.724 630 HE22 GLN 99 2HE2 GLN 99 5.176 -3.505 6.364 631 H ILE 100 H ILE 100 7.691 4.076 6.520 632 HA ILE 100 HA ILE 100 10.302 3.902 5.194 633 HB ILE 100 HB ILE 100 8.552 6.246 5.825 634 HG13 ILE 100 2HG1 ILE 100 7.770 6.205 3.476 635 HG21 ILE 100 1HG2 ILE 100 9.795 7.289 3.802 636 HG22 ILE 100 2HG2 ILE 100 10.683 7.126 5.326 637 HG23 ILE 100 3HG2 ILE 100 10.962 5.954 4.015 638 HD11 ILE 100 3HD1 ILE 100 7.963 4.262 2.058 639 HD12 ILE 100 1HD1 ILE 100 9.568 4.936 2.360 640 HD13 ILE 100 2HD1 ILE 100 9.040 3.468 3.223 641 H ILE 101 H ILE 101 8.943 4.994 8.290 642 HA ILE 101 HA ILE 101 11.274 6.312 9.339 643 HB ILE 101 HB ILE 101 9.230 4.819 10.916 644 HG13 ILE 101 2HG1 ILE 101 8.225 7.081 11.160 645 HG21 ILE 101 1HG2 ILE 101 9.883 6.399 12.677 646 HG22 ILE 101 2HG2 ILE 101 11.220 5.371 12.171 647 HG23 ILE 101 3HG2 ILE 101 11.159 7.059 11.621 648 HD11 ILE 101 3HD1 ILE 101 9.548 7.850 8.569 649 HD12 ILE 101 1HD1 ILE 101 8.331 8.740 9.495 650 HD13 ILE 101 2HD1 ILE 101 9.963 8.535 10.162 651 H SER 102 H SER 102 10.381 3.055 8.569 652 HA SER 102 HA SER 102 12.593 1.893 10.158 653 HB3 SER 102 2HB SER 102 10.897 0.124 8.476 654 HG SER 102 HG SER 102 12.443 -0.151 10.609 655 H GLU 103 H GLU 103 12.583 3.517 7.391 656 HA GLU 103 HA GLU 103 14.601 1.854 6.037 657 HB3 GLU 103 2HB GLU 103 13.601 2.687 3.830 658 HG3 GLU 103 2HG GLU 103 12.188 0.687 5.618 659 H ILE 104 H ILE 104 14.964 3.758 7.948 660 HA ILE 104 HA ILE 104 15.896 6.285 6.896 661 HB ILE 104 HB ILE 104 16.458 4.721 9.436 662 HG13 ILE 104 2HG1 ILE 104 14.151 5.774 9.053 663 HG21 ILE 104 1HG2 ILE 104 17.387 7.519 8.666 664 HG22 ILE 104 2HG2 ILE 104 17.491 6.840 10.309 665 HG23 ILE 104 3HG2 ILE 104 18.400 6.103 9.012 666 HD11 ILE 104 3HD1 ILE 104 15.102 5.474 11.417 667 HD12 ILE 104 1HD1 ILE 104 15.514 7.204 11.342 668 HD13 ILE 104 2HD1 ILE 104 13.834 6.694 11.196 Start of MODEL 10 1 H1 MET 1 H MET 1 15.282 23.793 -16.102 2 HA MET 1 HA MET 1 14.687 25.012 -14.140 3 HB3 MET 1 2HB MET 1 13.397 26.744 -15.413 4 HG3 MET 1 2HG MET 1 11.772 25.031 -16.516 5 HE1 MET 1 3HE MET 1 9.715 23.698 -16.668 6 HE2 MET 1 1HE MET 1 8.431 23.594 -15.450 7 HE3 MET 1 2HE MET 1 8.681 25.105 -16.346 8 H THR 2 H THR 2 14.113 23.664 -12.552 9 HA THR 2 HA THR 2 13.836 21.638 -11.633 10 HB THR 2 HB THR 2 11.718 21.017 -13.725 11 HG1 THR 2 1HG THR 2 10.295 21.706 -12.165 12 HG21 THR 2 3HG2 THR 2 12.274 19.812 -10.983 13 HG22 THR 2 1HG2 THR 2 12.530 19.023 -12.553 14 HG23 THR 2 2HG2 THR 2 10.894 19.420 -12.037 15 H THR 3 H THR 3 15.573 20.362 -11.773 16 HA THR 3 HA THR 3 16.125 18.819 -14.160 17 HB THR 3 HB THR 3 18.681 19.661 -13.522 18 HG1 THR 3 1HG THR 3 17.669 21.458 -12.285 19 HG21 THR 3 3HG2 THR 3 17.809 19.373 -15.795 20 HG22 THR 3 1HG2 THR 3 18.657 20.918 -15.630 21 HG23 THR 3 2HG2 THR 3 16.881 20.881 -15.653 22 H PHE 4 H PHE 4 17.837 17.215 -13.632 23 HA PHE 4 HA PHE 4 18.911 15.697 -12.461 24 HB3 PHE 4 2HB PHE 4 18.623 17.276 -9.887 25 HD1 PHE 4 1HD PHE 4 21.343 15.931 -12.030 26 HD2 PHE 4 2HD PHE 4 19.288 15.606 -8.260 27 HE1 PHE 4 1HE PHE 4 22.919 14.142 -11.336 28 HE2 PHE 4 2HE PHE 4 20.902 13.870 -7.536 29 HZ PHE 4 HZ PHE 4 22.657 13.068 -9.100 30 H ASP 5 H ASP 5 16.485 16.774 -10.073 31 HA ASP 5 HA ASP 5 14.736 15.792 -9.070 32 HB3 ASP 5 2HB ASP 5 13.154 14.686 -10.563 33 H ASP 6 H ASP 6 17.324 14.105 -9.101 34 HA ASP 6 HA ASP 6 16.270 11.470 -8.246 35 HB3 ASP 6 2HB ASP 6 19.098 12.576 -8.252 36 H ARG 7 H ARG 7 15.416 11.449 -6.252 37 HA ARG 7 HA ARG 7 15.218 13.398 -4.413 38 HB3 ARG 7 2HB ARG 7 13.849 11.419 -4.348 39 HG3 ARG 7 2HG ARG 7 16.195 9.856 -3.190 40 HD3 ARG 7 2HD ARG 7 13.401 9.133 -4.110 41 HE ARG 7 HE ARG 7 14.439 7.395 -5.142 42 HH11 ARG 7 1HH1 ARG 7 15.744 7.556 -1.832 43 HH12 ARG 7 2HH1 ARG 7 16.911 6.299 -2.097 44 HH21 ARG 7 1HH2 ARG 7 15.800 5.575 -5.388 45 HH22 ARG 7 2HH2 ARG 7 16.759 5.010 -4.077 46 H GLU 8 H GLU 8 16.145 14.133 -2.589 47 HA GLU 8 HA GLU 8 19.018 13.747 -2.256 48 HB3 GLU 8 2HB GLU 8 18.490 15.313 -0.206 49 HG3 GLU 8 2HG GLU 8 17.844 17.204 -1.958 50 H ARG 9 H ARG 9 19.642 13.655 0.173 51 HA ARG 9 HA ARG 9 18.970 10.875 0.925 52 HB3 ARG 9 2HB ARG 9 21.167 10.883 1.971 53 HG3 ARG 9 2HG ARG 9 21.457 12.398 -0.670 54 HD3 ARG 9 2HD ARG 9 23.345 10.858 -1.044 55 HE ARG 9 HE ARG 9 23.691 13.082 0.068 56 HH11 ARG 9 1HH1 ARG 9 24.705 10.105 1.712 57 HH12 ARG 9 2HH1 ARG 9 25.708 10.947 2.818 58 HH21 ARG 9 1HH2 ARG 9 24.807 14.141 1.597 59 HH22 ARG 9 2HH2 ARG 9 25.486 13.333 3.007 60 H ALA 10 H ALA 10 19.491 10.656 3.513 61 HA ALA 10 HA ALA 10 18.600 10.883 5.570 62 HB1 ALA 10 1HB ALA 10 20.611 12.249 5.603 63 HB2 ALA 10 2HB ALA 10 19.656 13.688 5.135 64 HB3 ALA 10 3HB ALA 10 19.371 12.886 6.698 65 H HIS 11 H HIS 11 16.411 10.651 4.396 66 HA HIS 11 HA HIS 11 14.705 12.825 3.983 67 HB3 HIS 11 2HB HIS 11 14.294 10.773 2.952 68 HD1 HIS 11 1HD HIS 11 13.284 8.268 2.920 69 HD2 HIS 11 2HD HIS 11 14.651 9.732 6.646 70 HE1 HIS 11 1HE HIS 11 13.412 6.272 4.518 71 H GLU 12 H GLU 12 15.639 11.811 7.068 72 HA GLU 12 HA GLU 12 13.430 11.674 8.611 73 HB3 GLU 12 2HB GLU 12 15.371 11.084 9.611 74 HG3 GLU 12 2HG GLU 12 16.509 13.871 9.221 75 H ALA 13 H ALA 13 15.157 14.819 8.853 76 HA ALA 13 HA ALA 13 12.657 16.121 9.572 77 HB1 ALA 13 1HB ALA 13 14.764 16.652 10.725 78 HB2 ALA 13 2HB ALA 13 15.474 17.226 9.199 79 HB3 ALA 13 3HB ALA 13 14.105 18.085 9.927 80 H LYS 14 H LYS 14 13.839 15.295 6.574 81 HA LYS 14 HA LYS 14 13.254 17.778 5.085 82 HB3 LYS 14 2HB LYS 14 13.315 15.955 3.161 83 HG3 LYS 14 2HG LYS 14 15.804 16.752 4.698 84 HD3 LYS 14 2HD LYS 14 15.332 15.511 1.971 85 HE3 LYS 14 2HE LYS 14 17.769 16.161 1.542 86 HZ1 LYS 14 3HZ LYS 14 17.110 18.351 0.638 87 HZ2 LYS 14 1HZ LYS 14 15.628 18.201 1.403 88 HZ3 LYS 14 2HZ LYS 14 16.001 17.169 0.272 89 H PHE 15 H PHE 15 11.248 15.301 6.502 90 HA PHE 15 HA PHE 15 9.421 15.030 4.366 91 HB3 PHE 15 2HB PHE 15 7.877 14.762 6.658 92 HD1 PHE 15 1HD PHE 15 10.841 12.478 5.956 93 HD2 PHE 15 2HD PHE 15 6.650 13.272 5.285 94 HE1 PHE 15 1HE PHE 15 10.540 10.174 5.174 95 HE2 PHE 15 2HE PHE 15 6.367 10.961 4.423 96 HZ PHE 15 HZ PHE 15 8.294 9.389 4.410 97 H ALA 16 H ALA 16 9.677 17.662 6.676 98 HA ALA 16 HA ALA 16 7.250 18.984 5.758 99 HB1 ALA 16 1HB ALA 16 9.519 19.938 7.562 100 HB2 ALA 16 2HB ALA 16 7.929 20.712 7.360 101 HB3 ALA 16 3HB ALA 16 8.033 19.110 8.092 102 H HIS 17 H HIS 17 9.850 18.503 3.851 103 HA HIS 17 HA HIS 17 9.939 21.222 2.725 104 HB3 HIS 17 2HB HIS 17 12.418 20.394 2.387 105 HD1 HIS 17 1HD HIS 17 12.483 23.108 3.041 106 HD2 HIS 17 2HD HIS 17 11.893 20.315 6.160 107 HE1 HIS 17 1HE HIS 17 12.852 24.354 5.229 108 H ASP 18 H ASP 18 11.198 17.893 2.244 109 HA ASP 18 HA ASP 18 11.103 18.137 -0.657 110 HB3 ASP 18 2HB ASP 18 11.990 15.772 -0.487 111 H ALA 19 H ALA 19 8.869 18.375 -0.726 112 HA ALA 19 HA ALA 19 6.919 16.475 -0.025 113 HB1 ALA 19 1HB ALA 19 6.353 18.672 -0.933 114 HB2 ALA 19 2HB ALA 19 6.874 18.159 -2.561 115 HB3 ALA 19 3HB ALA 19 5.483 17.395 -1.764 116 H GLU 20 H GLU 20 9.325 16.214 -2.624 117 HA GLU 20 HA GLU 20 8.212 13.988 -4.014 118 HB3 GLU 20 2HB GLU 20 11.196 14.278 -3.755 119 HG3 GLU 20 2HG GLU 20 11.077 14.393 -6.233 120 H LEU 21 H LEU 21 10.060 14.196 -0.971 121 HA LEU 21 HA LEU 21 10.426 11.255 -0.798 122 HB3 LEU 21 2HB LEU 21 11.144 11.895 1.582 123 HG LEU 21 HG LEU 21 12.684 13.233 -0.679 124 HD11 LEU 21 1HD1 LEU 21 13.334 12.719 2.237 125 HD12 LEU 21 2HD1 LEU 21 13.280 14.261 1.435 126 HD13 LEU 21 3HD1 LEU 21 14.581 13.128 1.022 127 HD21 LEU 21 3HD2 LEU 21 12.582 10.781 -0.948 128 HD22 LEU 21 1HD2 LEU 21 13.083 10.562 0.740 129 HD23 LEU 21 2HD2 LEU 21 14.196 11.277 -0.441 130 H ASN 22 H ASN 22 8.218 13.852 0.473 131 HA ASN 22 HA ASN 22 6.774 12.045 2.165 132 HB3 ASN 22 2HB ASN 22 5.800 14.590 0.835 133 HD21 ASN 22 1HD2 ASN 22 3.928 15.386 1.668 134 HD22 ASN 22 2HD2 ASN 22 3.020 14.629 2.965 135 H PHE 23 H PHE 23 6.531 12.815 -1.303 136 HA PHE 23 HA PHE 23 4.130 11.460 -1.943 137 HB3 PHE 23 2HB PHE 23 6.636 11.616 -3.628 138 HD1 PHE 23 1HD PHE 23 5.945 9.490 -4.679 139 HD2 PHE 23 2HD PHE 23 3.294 12.873 -4.572 140 HE1 PHE 23 1HE PHE 23 4.582 8.477 -6.518 141 HE2 PHE 23 2HE PHE 23 1.903 11.847 -6.330 142 HZ PHE 23 HZ PHE 23 2.540 9.656 -7.329 143 H LYS 24 H LYS 24 7.489 10.110 -1.731 144 HA LYS 24 HA LYS 24 6.950 7.468 -2.317 145 HB3 LYS 24 2HB LYS 24 8.713 7.591 -0.020 146 HG3 LYS 24 2HG LYS 24 9.950 7.770 -2.716 147 HD3 LYS 24 2HD LYS 24 10.301 5.281 -1.121 148 HE3 LYS 24 2HE LYS 24 12.714 6.409 -0.972 149 HZ1 LYS 24 3HZ LYS 24 13.410 5.112 -2.674 150 HZ2 LYS 24 1HZ LYS 24 12.148 5.405 -3.654 151 HZ3 LYS 24 2HZ LYS 24 12.019 4.379 -2.344 152 H ALA 25 H ALA 25 5.987 9.187 0.632 153 HA ALA 25 HA ALA 25 5.566 6.738 2.148 154 HB1 ALA 25 1HB ALA 25 4.941 8.290 3.913 155 HB2 ALA 25 2HB ALA 25 6.368 8.933 3.097 156 HB3 ALA 25 3HB ALA 25 4.752 9.616 2.775 157 H GLU 26 H GLU 26 3.505 8.793 0.105 158 HA GLU 26 HA GLU 26 1.006 7.607 1.130 159 HB3 GLU 26 2HB GLU 26 -0.074 8.742 -0.742 160 HG3 GLU 26 2HG GLU 26 0.848 11.069 -0.607 161 H ALA 27 H ALA 27 3.498 6.752 -0.966 162 HA ALA 27 HA ALA 27 2.128 4.712 -2.544 163 HB1 ALA 27 1HB ALA 27 4.285 6.158 -3.081 164 HB2 ALA 27 2HB ALA 27 5.116 4.926 -2.124 165 HB3 ALA 27 3HB ALA 27 4.215 4.436 -3.572 166 H ARG 28 H ARG 28 4.296 2.658 -1.970 167 HA ARG 28 HA ARG 28 4.431 0.744 -0.944 168 HB3 ARG 28 2HB ARG 28 4.802 0.956 1.543 169 HG3 ARG 28 2HG ARG 28 6.400 3.225 0.983 170 HD3 ARG 28 2HD ARG 28 7.024 0.252 0.696 171 HE ARG 28 HE ARG 28 8.711 2.216 -0.106 172 HH11 ARG 28 1HH1 ARG 28 8.878 -0.029 2.779 173 HH12 ARG 28 2HH1 ARG 28 10.577 -0.106 2.629 174 HH21 ARG 28 1HH2 ARG 28 11.031 2.231 0.092 175 HH22 ARG 28 2HH2 ARG 28 11.762 1.243 1.313 176 H ARG 29 H ARG 29 1.646 2.515 0.215 177 HA ARG 29 HA ARG 29 0.292 0.936 1.890 178 HB3 ARG 29 2HB ARG 29 -0.382 3.206 1.315 179 HG3 ARG 29 2HG ARG 29 -0.785 2.011 -1.417 180 HD3 ARG 29 2HD ARG 29 -2.018 4.625 -0.549 181 HE ARG 29 HE ARG 29 -2.481 2.919 -2.983 182 HH11 ARG 29 1HH1 ARG 29 -1.578 6.139 -1.779 183 HH12 ARG 29 2HH1 ARG 29 -2.437 6.994 -3.026 184 HH21 ARG 29 1HH2 ARG 29 -3.441 4.072 -4.752 185 HH22 ARG 29 2HH2 ARG 29 -3.745 5.782 -4.556 186 H ASN 30 H ASN 30 0.815 -0.097 -1.363 187 HA ASN 30 HA ASN 30 -1.433 -2.040 -1.044 188 HB3 ASN 30 2HB ASN 30 -1.441 -2.311 -3.450 189 HD21 ASN 30 1HD2 ASN 30 -3.635 -1.680 -2.836 190 HD22 ASN 30 2HD2 ASN 30 -4.086 -0.023 -2.659 191 H ARG 31 H ARG 31 2.106 -1.809 -1.389 192 HA ARG 31 HA ARG 31 2.440 -4.558 -2.144 193 HB3 ARG 31 2HB ARG 31 4.243 -2.730 -2.103 194 HG3 ARG 31 2HG ARG 31 4.106 -2.476 0.573 195 HD3 ARG 31 2HD ARG 31 6.292 -4.577 0.177 196 HE ARG 31 HE ARG 31 5.351 -4.043 2.874 197 HH11 ARG 31 1HH1 ARG 31 7.868 -3.014 0.495 198 HH12 ARG 31 2HH1 ARG 31 8.997 -2.837 1.793 199 HH21 ARG 31 1HH2 ARG 31 6.914 -3.506 4.465 200 HH22 ARG 31 2HH2 ARG 31 8.315 -2.651 3.983 201 H LEU 32 H LEU 32 2.042 -2.991 0.997 202 HA LEU 32 HA LEU 32 2.483 -5.448 2.422 203 HB3 LEU 32 2HB LEU 32 3.087 -3.084 3.134 204 HG LEU 32 HG LEU 32 0.293 -3.140 4.390 205 HD11 LEU 32 1HD1 LEU 32 1.036 -1.016 5.406 206 HD12 LEU 32 2HD1 LEU 32 2.620 -1.159 4.608 207 HD13 LEU 32 3HD1 LEU 32 2.133 -2.331 5.852 208 HD21 LEU 32 3HD2 LEU 32 0.101 -2.269 2.080 209 HD22 LEU 32 1HD2 LEU 32 1.454 -1.147 2.395 210 HD23 LEU 32 2HD2 LEU 32 -0.093 -0.982 3.261 211 H LEU 33 H LEU 33 -0.301 -4.243 0.932 212 HA LEU 33 HA LEU 33 -2.368 -5.339 2.625 213 HB3 LEU 33 2HB LEU 33 -3.534 -5.596 0.239 214 HG LEU 33 HG LEU 33 -2.813 -2.912 1.443 215 HD11 LEU 33 1HD1 LEU 33 -4.291 -1.856 -0.056 216 HD12 LEU 33 2HD1 LEU 33 -5.029 -3.397 -0.584 217 HD13 LEU 33 3HD1 LEU 33 -3.404 -2.962 -1.095 218 HD21 LEU 33 3HD2 LEU 33 -4.263 -4.323 2.879 219 HD22 LEU 33 1HD2 LEU 33 -5.347 -4.641 1.511 220 HD23 LEU 33 2HD2 LEU 33 -5.213 -3.012 2.186 221 H GLY 34 H GLY 34 -0.083 -6.815 0.378 222 HA2 GLY 34 1HA GLY 34 -1.413 -9.231 -0.120 223 HA3 GLY 34 2HA GLY 34 0.342 -9.032 -0.031 224 H GLU 35 H GLU 35 0.476 -8.189 2.770 225 HA GLU 35 HA GLU 35 0.565 -10.763 4.025 226 HB3 GLU 35 2HB GLU 35 1.050 -9.418 6.088 227 HG3 GLU 35 2HG GLU 35 2.565 -8.695 3.553 228 H TRP 36 H TRP 36 -1.917 -8.181 3.999 229 HA TRP 36 HA TRP 36 -3.466 -9.210 6.225 230 HB3 TRP 36 2HB TRP 36 -4.110 -7.319 3.935 231 HD1 TRP 36 HD TRP 36 -5.577 -7.695 7.511 232 HE1 TRP 36 1HE TRP 36 -8.147 -7.488 7.358 233 HE3 TRP 36 3HE TRP 36 -6.099 -7.482 2.419 234 HZ2 TRP 36 2HZ TRP 36 -10.135 -7.205 5.309 235 HZ3 TRP 36 3HZ TRP 36 -8.366 -7.320 1.395 236 HH2 TRP 36 HH TRP 36 -10.394 -7.146 2.866 237 H ALA 37 H ALA 37 -4.058 -9.274 2.643 238 HA ALA 37 HA ALA 37 -6.192 -11.134 2.850 239 HB1 ALA 37 1HB ALA 37 -5.896 -9.795 0.844 240 HB2 ALA 37 2HB ALA 37 -4.315 -10.541 0.526 241 HB3 ALA 37 3HB ALA 37 -5.798 -11.510 0.407 242 H ALA 38 H ALA 38 -2.648 -11.732 2.402 243 HA ALA 38 HA ALA 38 -2.746 -14.542 2.181 244 HB1 ALA 38 1HB ALA 38 -0.656 -13.346 1.848 245 HB2 ALA 38 2HB ALA 38 -0.696 -12.703 3.504 246 HB3 ALA 38 3HB ALA 38 -0.445 -14.422 3.229 247 H GLY 39 H GLY 39 -2.586 -12.456 5.104 248 HA2 GLY 39 1HA GLY 39 -2.403 -14.389 7.119 249 HA3 GLY 39 2HA GLY 39 -3.161 -12.787 7.252 250 H LEU 40 H LEU 40 -5.292 -12.862 5.669 251 HA LEU 40 HA LEU 40 -7.278 -14.383 7.063 252 HB3 LEU 40 2HB LEU 40 -8.753 -13.695 5.149 253 HG LEU 40 HG LEU 40 -6.963 -11.384 6.012 254 HD11 LEU 40 1HD1 LEU 40 -8.950 -10.003 5.534 255 HD12 LEU 40 2HD1 LEU 40 -9.810 -11.430 4.934 256 HD13 LEU 40 3HD1 LEU 40 -8.361 -10.829 4.088 257 HD21 LEU 40 3HD2 LEU 40 -8.682 -10.959 7.729 258 HD22 LEU 40 1HD2 LEU 40 -7.820 -12.487 7.978 259 HD23 LEU 40 2HD2 LEU 40 -9.470 -12.493 7.296 260 H LEU 41 H LEU 41 -5.810 -14.843 3.878 261 HA LEU 41 HA LEU 41 -7.165 -17.263 3.265 262 HB3 LEU 41 2HB LEU 41 -5.154 -17.461 1.523 263 HG LEU 41 HG LEU 41 -7.015 -15.074 1.569 264 HD11 LEU 41 1HD1 LEU 41 -4.923 -14.919 0.011 265 HD12 LEU 41 2HD1 LEU 41 -6.494 -14.675 -0.734 266 HD13 LEU 41 3HD1 LEU 41 -5.701 -16.224 -0.930 267 HD21 LEU 41 3HD2 LEU 41 -8.268 -16.555 -0.073 268 HD22 LEU 41 1HD2 LEU 41 -8.208 -17.215 1.560 269 HD23 LEU 41 2HD2 LEU 41 -7.138 -17.857 0.306 270 H GLY 42 H GLY 42 -4.766 -17.001 5.550 271 HA2 GLY 42 1HA GLY 42 -3.867 -18.812 6.791 272 HA3 GLY 42 2HA GLY 42 -4.488 -19.938 5.596 273 H LYS 43 H LYS 43 -2.706 -17.295 4.208 274 HA LYS 43 HA LYS 43 -0.373 -19.027 3.677 275 HB3 LYS 43 2HB LYS 43 0.324 -17.196 2.173 276 HG3 LYS 43 2HG LYS 43 -2.522 -17.866 1.388 277 HD3 LYS 43 2HD LYS 43 0.166 -17.938 -0.049 278 HE3 LYS 43 2HE LYS 43 -2.568 -18.231 -1.336 279 HZ1 LYS 43 3HZ LYS 43 0.192 -18.981 -2.112 280 HZ2 LYS 43 1HZ LYS 43 -0.816 -17.919 -2.929 281 HZ3 LYS 43 2HZ LYS 43 -1.141 -19.515 -2.882 282 H THR 44 H THR 44 1.493 -18.706 4.844 283 HA THR 44 HA THR 44 2.174 -16.026 5.774 284 HB THR 44 HB THR 44 2.807 -16.687 8.013 285 HG1 THR 44 1HG THR 44 1.501 -19.147 7.417 286 HG21 THR 44 3HG2 THR 44 0.666 -16.832 9.137 287 HG22 THR 44 1HG2 THR 44 -0.136 -17.326 7.643 288 HG23 THR 44 2HG2 THR 44 0.567 -15.691 7.790 289 H GLY 45 H GLY 45 4.525 -15.893 6.262 290 HA2 GLY 45 1HA GLY 45 6.700 -16.470 5.915 291 HA3 GLY 45 2HA GLY 45 6.237 -18.147 5.559 292 H ASP 46 H ASP 46 7.357 -18.403 3.602 293 HA ASP 46 HA ASP 46 7.710 -16.471 1.582 294 HB3 ASP 46 2HB ASP 46 7.706 -19.491 1.381 295 H ASP 47 H ASP 47 5.161 -18.876 2.139 296 HA ASP 47 HA ASP 47 3.693 -18.740 -0.237 297 HB3 ASP 47 2HB ASP 47 1.715 -19.079 1.390 298 H ALA 48 H ALA 48 3.768 -16.502 2.504 299 HA ALA 48 HA ALA 48 1.542 -14.866 1.444 300 HB1 ALA 48 1HB ALA 48 2.020 -13.425 3.420 301 HB2 ALA 48 2HB ALA 48 1.710 -15.115 3.862 302 HB3 ALA 48 3HB ALA 48 3.375 -14.483 3.862 303 H ARG 49 H ARG 49 5.112 -14.751 1.833 304 HA ARG 49 HA ARG 49 5.416 -12.035 0.999 305 HB3 ARG 49 2HB ARG 49 7.017 -13.633 2.180 306 HG3 ARG 49 2HG ARG 49 8.127 -13.474 -0.648 307 HD3 ARG 49 2HD ARG 49 9.224 -14.633 1.938 308 HE ARG 49 HE ARG 49 10.408 -14.246 -0.794 309 HH11 ARG 49 1HH1 ARG 49 10.430 -16.051 2.291 310 HH12 ARG 49 2HH1 ARG 49 11.636 -17.174 1.753 311 HH21 ARG 49 1HH2 ARG 49 11.879 -15.781 -1.484 312 HH22 ARG 49 2HH2 ARG 49 12.509 -16.998 -0.426 313 H ALA 50 H ALA 50 5.592 -15.062 -0.800 314 HA ALA 50 HA ALA 50 6.337 -14.066 -3.314 315 HB1 ALA 50 1HB ALA 50 5.490 -16.243 -4.171 316 HB2 ALA 50 2HB ALA 50 6.420 -16.458 -2.664 317 HB3 ALA 50 3HB ALA 50 4.649 -16.521 -2.635 318 H TYR 51 H TYR 51 3.067 -14.721 -1.980 319 HA TYR 51 HA TYR 51 1.558 -13.727 -4.182 320 HB3 TYR 51 2HB TYR 51 1.062 -14.032 -1.200 321 HD1 TYR 51 2HD TYR 51 -0.851 -13.412 -4.400 322 HD2 TYR 51 1HD TYR 51 -0.523 -12.651 -0.166 323 HE1 TYR 51 2HE TYR 51 -2.775 -11.899 -4.519 324 HE2 TYR 51 1HE TYR 51 -2.482 -11.223 -0.257 325 HH TYR 51 HH TYR 51 -4.268 -10.633 -3.344 326 H ALA 52 H ALA 52 2.604 -12.110 -1.143 327 HA ALA 52 HA ALA 52 1.590 -9.565 -1.750 328 HB1 ALA 52 1HB ALA 52 2.940 -8.805 0.154 329 HB2 ALA 52 2HB ALA 52 2.201 -10.374 0.527 330 HB3 ALA 52 3HB ALA 52 3.913 -10.288 0.081 331 H LEU 53 H LEU 53 4.220 -11.010 -3.337 332 HA LEU 53 HA LEU 53 5.770 -8.635 -3.879 333 HB3 LEU 53 2HB LEU 53 6.609 -9.801 -5.827 334 HG LEU 53 HG LEU 53 6.282 -11.925 -3.712 335 HD11 LEU 53 1HD1 LEU 53 7.227 -12.616 -5.857 336 HD12 LEU 53 2HD1 LEU 53 8.360 -12.798 -4.505 337 HD13 LEU 53 3HD1 LEU 53 8.549 -11.448 -5.652 338 HD21 LEU 53 3HD2 LEU 53 8.381 -11.169 -2.676 339 HD22 LEU 53 1HD2 LEU 53 7.093 -9.982 -2.502 340 HD23 LEU 53 2HD2 LEU 53 8.369 -9.721 -3.720 341 H THR 54 H THR 54 2.689 -9.935 -5.198 342 HA THR 54 HA THR 54 2.633 -7.668 -7.131 343 HB THR 54 HB THR 54 3.583 -9.590 -8.177 344 HG1 THR 54 1HG THR 54 2.474 -9.469 -9.923 345 HG21 THR 54 3HG2 THR 54 2.579 -11.415 -6.832 346 HG22 THR 54 1HG2 THR 54 2.421 -11.678 -8.575 347 HG23 THR 54 2HG2 THR 54 1.025 -11.137 -7.629 348 H VAL 55 H VAL 55 1.349 -6.890 -5.184 349 HA VAL 55 HA VAL 55 -1.519 -7.419 -5.619 350 HB VAL 55 HB VAL 55 -1.533 -6.825 -3.131 351 HG11 VAL 55 1HG1 VAL 55 -1.923 -9.110 -3.997 352 HG12 VAL 55 2HG1 VAL 55 -0.185 -9.439 -3.924 353 HG13 VAL 55 3HG1 VAL 55 -1.093 -9.127 -2.436 354 HG21 VAL 55 3HG2 VAL 55 0.815 -5.968 -3.024 355 HG22 VAL 55 1HG2 VAL 55 0.408 -7.168 -1.794 356 HG23 VAL 55 2HG2 VAL 55 1.367 -7.649 -3.199 357 H VAL 56 H VAL 56 0.480 -5.230 -6.693 358 HA VAL 56 HA VAL 56 -0.368 -2.858 -5.213 359 HB VAL 56 HB VAL 56 1.369 -2.979 -7.651 360 HG11 VAL 56 1HG1 VAL 56 0.489 -0.704 -7.068 361 HG12 VAL 56 2HG1 VAL 56 1.198 -0.866 -5.450 362 HG13 VAL 56 3HG1 VAL 56 2.240 -0.814 -6.889 363 HG21 VAL 56 3HG2 VAL 56 2.474 -4.355 -6.004 364 HG22 VAL 56 1HG2 VAL 56 3.280 -2.779 -5.982 365 HG23 VAL 56 2HG2 VAL 56 2.113 -3.200 -4.709 366 H THR 57 H THR 57 -2.544 -2.837 -5.594 367 HA THR 57 HA THR 57 -3.366 -1.453 -8.063 368 HB THR 57 HB THR 57 -3.836 -3.742 -8.561 369 HG1 THR 57 1HG THR 57 -6.034 -3.678 -8.791 370 HG21 THR 57 3HG2 THR 57 -5.079 -3.994 -5.798 371 HG22 THR 57 1HG2 THR 57 -3.748 -4.917 -6.496 372 HG23 THR 57 2HG2 THR 57 -5.377 -5.148 -7.121 373 H SER 58 H SER 58 -4.704 0.303 -7.491 374 HA SER 58 HA SER 58 -6.154 0.255 -4.956 375 HB3 SER 58 2HB SER 58 -4.352 1.323 -3.994 376 HG SER 58 HG SER 58 -3.918 2.741 -6.422 377 H ASP 59 H ASP 59 -8.064 0.289 -5.996 378 HA ASP 59 HA ASP 59 -8.736 2.626 -7.677 379 HB3 ASP 59 2HB ASP 59 -9.301 -0.213 -8.548 380 H PHE 60 H PHE 60 -9.989 3.399 -5.976 381 HA PHE 60 HA PHE 60 -12.512 2.201 -5.423 382 HB3 PHE 60 2HB PHE 60 -11.357 2.615 -2.774 383 HD1 PHE 60 2HD PHE 60 -14.127 1.751 -3.919 384 HD2 PHE 60 1HD PHE 60 -10.708 -0.466 -2.483 385 HE1 PHE 60 2HE PHE 60 -15.574 -0.130 -3.341 386 HE2 PHE 60 1HE PHE 60 -12.191 -2.359 -1.924 387 HZ PHE 60 HZ PHE 60 -14.646 -2.194 -2.333 388 H ASP 61 H ASP 61 -13.494 3.552 -3.508 389 HA ASP 61 HA ASP 61 -14.671 5.361 -3.232 390 HB3 ASP 61 2HB ASP 61 -12.142 6.996 -3.399 391 H GLU 62 H GLU 62 -15.926 5.214 -4.838 392 HA GLU 62 HA GLU 62 -16.860 5.051 -6.781 393 HB3 GLU 62 2HB GLU 62 -15.837 7.769 -7.559 394 HG3 GLU 62 2HG GLU 62 -18.482 6.226 -7.643 395 HA PRO 63 HA PRO 63 -13.321 3.553 -9.335 396 HB3 PRO 63 2HB PRO 63 -13.155 1.614 -8.033 397 HG3 PRO 63 2HG PRO 63 -15.066 0.668 -6.953 398 HD3 PRO 63 2HD PRO 63 -14.933 2.874 -6.151 399 H GLY 64 H GLY 64 -13.601 2.393 -11.517 400 HA2 GLY 64 1HA GLY 64 -16.177 3.173 -12.821 401 HA3 GLY 64 2HA GLY 64 -14.593 3.142 -13.597 402 H ASP 65 H ASP 65 -13.736 0.603 -12.508 403 HA ASP 65 HA ASP 65 -15.659 -1.373 -13.676 404 HB3 ASP 65 2HB ASP 65 -13.598 -2.574 -14.563 405 H GLU 66 H GLU 66 -13.469 -0.528 -11.104 406 HA GLU 66 HA GLU 66 -13.300 -1.422 -9.013 407 HB3 GLU 66 2HB GLU 66 -15.723 -2.942 -9.950 408 HG3 GLU 66 2HG GLU 66 -15.441 -1.933 -7.134 409 H ASP 67 H ASP 67 -11.813 -2.728 -11.219 410 HA ASP 67 HA ASP 67 -12.099 -5.558 -11.063 411 HB3 ASP 67 2HB ASP 67 -9.642 -4.431 -12.363 412 H VAL 68 H VAL 68 -11.299 -4.319 -8.582 413 HA VAL 68 HA VAL 68 -9.003 -6.009 -7.829 414 HB VAL 68 HB VAL 68 -7.928 -3.995 -8.039 415 HG11 VAL 68 1HG1 VAL 68 -10.124 -2.502 -6.585 416 HG12 VAL 68 2HG1 VAL 68 -8.601 -1.827 -7.178 417 HG13 VAL 68 3HG1 VAL 68 -9.792 -2.430 -8.335 418 HG21 VAL 68 3HG2 VAL 68 -7.507 -5.096 -5.858 419 HG22 VAL 68 1HG2 VAL 68 -7.293 -3.332 -5.762 420 HG23 VAL 68 2HG2 VAL 68 -8.751 -4.087 -5.103 421 H PHE 69 H PHE 69 -11.667 -3.851 -6.436 422 HA PHE 69 HA PHE 69 -12.005 -5.557 -4.225 423 HB3 PHE 69 2HB PHE 69 -13.889 -3.639 -5.569 424 HD1 PHE 69 2HD PHE 69 -13.830 -4.829 -2.055 425 HD2 PHE 69 1HD PHE 69 -16.005 -4.882 -5.778 426 HE1 PHE 69 2HE PHE 69 -15.747 -5.924 -0.932 427 HE2 PHE 69 1HE PHE 69 -17.917 -5.949 -4.652 428 HZ PHE 69 HZ PHE 69 -17.796 -6.500 -2.223 429 H ARG 70 H ARG 70 -13.431 -5.627 -7.479 430 HA ARG 70 HA ARG 70 -15.078 -7.865 -7.119 431 HB3 ARG 70 2HB ARG 70 -13.696 -6.833 -9.643 432 HG3 ARG 70 2HG ARG 70 -16.146 -8.577 -9.281 433 HD3 ARG 70 2HD ARG 70 -15.595 -6.429 -11.324 434 HE ARG 70 HE ARG 70 -16.236 -9.040 -12.120 435 HH11 ARG 70 1HH1 ARG 70 -17.567 -5.764 -12.468 436 HH12 ARG 70 2HH1 ARG 70 -18.271 -6.070 -14.027 437 HH21 ARG 70 1HH2 ARG 70 -16.855 -9.313 -14.295 438 HH22 ARG 70 2HH2 ARG 70 -17.668 -8.033 -15.174 439 H LYS 71 H LYS 71 -11.678 -7.985 -7.062 440 HA LYS 71 HA LYS 71 -11.792 -10.879 -7.880 441 HB3 LYS 71 2HB LYS 71 -9.434 -10.801 -8.187 442 HG3 LYS 71 2HG LYS 71 -9.097 -9.365 -10.049 443 HD3 LYS 71 2HD LYS 71 -12.126 -9.654 -10.106 444 HE3 LYS 71 2HE LYS 71 -9.992 -10.088 -12.233 445 HZ1 LYS 71 3HZ LYS 71 -12.818 -9.392 -12.631 446 HZ2 LYS 71 1HZ LYS 71 -12.366 -10.976 -12.521 447 HZ3 LYS 71 2HZ LYS 71 -11.758 -9.991 -13.712 448 H LEU 72 H LEU 72 -10.608 -8.565 -5.453 449 HA LEU 72 HA LEU 72 -9.522 -10.682 -3.777 450 HB3 LEU 72 2HB LEU 72 -9.631 -8.613 -2.059 451 HG LEU 72 HG LEU 72 -7.755 -8.588 -4.463 452 HD11 LEU 72 1HD1 LEU 72 -7.895 -6.398 -3.371 453 HD12 LEU 72 2HD1 LEU 72 -6.339 -7.153 -3.017 454 HD13 LEU 72 3HD1 LEU 72 -7.634 -7.157 -1.781 455 HD21 LEU 72 3HD2 LEU 72 -7.496 -9.741 -1.636 456 HD22 LEU 72 1HD2 LEU 72 -6.128 -9.482 -2.734 457 HD23 LEU 72 2HD2 LEU 72 -7.400 -10.618 -3.174 458 H ALA 73 H ALA 73 -12.731 -9.169 -4.016 459 HA ALA 73 HA ALA 73 -13.537 -9.944 -1.345 460 HB1 ALA 73 1HB ALA 73 -15.811 -9.351 -2.084 461 HB2 ALA 73 2HB ALA 73 -14.666 -8.097 -2.542 462 HB3 ALA 73 3HB ALA 73 -15.265 -9.229 -3.758 463 H ALA 74 H ALA 74 -14.319 -11.295 -4.612 464 HA ALA 74 HA ALA 74 -15.297 -13.753 -3.657 465 HB1 ALA 74 1HB ALA 74 -13.944 -13.095 -6.312 466 HB2 ALA 74 2HB ALA 74 -14.897 -14.559 -5.972 467 HB3 ALA 74 3HB ALA 74 -15.680 -12.975 -5.936 468 H ASP 75 H ASP 75 -11.864 -12.739 -3.885 469 HA ASP 75 HA ASP 75 -10.952 -15.514 -3.657 470 HB3 ASP 75 2HB ASP 75 -9.549 -13.075 -3.953 471 H LEU 76 H LEU 76 -11.453 -12.773 -1.366 472 HA LEU 76 HA LEU 76 -11.214 -14.405 0.995 473 HB3 LEU 76 2HB LEU 76 -11.799 -12.228 2.132 474 HG LEU 76 HG LEU 76 -9.586 -12.025 0.052 475 HD11 LEU 76 1HD1 LEU 76 -8.707 -10.244 1.514 476 HD12 LEU 76 2HD1 LEU 76 -10.172 -10.344 2.521 477 HD13 LEU 76 3HD1 LEU 76 -10.283 -9.819 0.828 478 HD21 LEU 76 3HD2 LEU 76 -9.648 -12.933 2.968 479 HD22 LEU 76 1HD2 LEU 76 -8.152 -12.557 2.060 480 HD23 LEU 76 2HD2 LEU 76 -9.176 -13.887 1.547 481 H GLU 77 H GLU 77 -13.322 -15.243 -0.752 482 HA GLU 77 HA GLU 77 -15.948 -14.653 0.128 483 HB3 GLU 77 2HB GLU 77 -14.637 -17.097 -1.113 484 HG3 GLU 77 2HG GLU 77 -17.566 -16.406 -0.663 485 H GLY 78 H GLY 78 -16.427 -14.692 2.241 486 HA2 GLY 78 1HA GLY 78 -17.172 -15.854 4.127 487 HA3 GLY 78 2HA GLY 78 -15.955 -17.110 3.888 488 H LYS 79 H LYS 79 -14.328 -14.209 3.481 489 HA LYS 79 HA LYS 79 -13.717 -13.807 6.373 490 HB3 LYS 79 2HB LYS 79 -11.293 -13.656 5.705 491 HG3 LYS 79 2HG LYS 79 -12.637 -16.340 5.226 492 HD3 LYS 79 2HD LYS 79 -10.442 -16.967 6.610 493 HE3 LYS 79 2HE LYS 79 -9.088 -17.394 4.602 494 HZ1 LYS 79 3HZ LYS 79 -10.532 -18.885 3.602 495 HZ2 LYS 79 1HZ LYS 79 -11.866 -17.992 3.897 496 HZ3 LYS 79 2HZ LYS 79 -11.097 -18.774 5.146 497 H ALA 80 H ALA 80 -15.138 -12.230 4.025 498 HA ALA 80 HA ALA 80 -14.203 -9.686 5.056 499 HB1 ALA 80 1HB ALA 80 -13.979 -10.261 2.066 500 HB2 ALA 80 2HB ALA 80 -13.710 -8.695 2.863 501 HB3 ALA 80 3HB ALA 80 -12.613 -10.041 3.184 502 H ASP 81 H ASP 81 -15.450 -7.864 3.783 503 HA ASP 81 HA ASP 81 -18.124 -8.552 2.897 504 HB3 ASP 81 2HB ASP 81 -19.185 -6.893 4.286 505 H GLU 82 H GLU 82 -18.944 -6.584 1.811 506 HA GLU 82 HA GLU 82 -17.336 -5.045 0.132 507 HB3 GLU 82 2HB GLU 82 -19.371 -3.452 0.287 508 HG3 GLU 82 2HG GLU 82 -19.497 -6.351 -0.372 509 H GLU 83 H GLU 83 -18.837 -3.908 3.183 510 HA GLU 83 HA GLU 83 -17.295 -1.531 3.250 511 HB3 GLU 83 2HB GLU 83 -19.397 -1.509 4.149 512 HG3 GLU 83 2HG GLU 83 -18.635 -3.501 6.310 513 H THR 84 H THR 84 -16.786 -4.658 4.841 514 HA THR 84 HA THR 84 -14.615 -3.939 6.470 515 HB THR 84 HB THR 84 -15.474 -6.474 5.085 516 HG1 THR 84 1HG THR 84 -16.548 -6.802 6.906 517 HG21 THR 84 3HG2 THR 84 -13.088 -6.780 5.508 518 HG22 THR 84 1HG2 THR 84 -14.045 -7.744 6.642 519 HG23 THR 84 2HG2 THR 84 -13.315 -6.218 7.187 520 H ILE 85 H ILE 85 -14.542 -4.988 2.948 521 HA ILE 85 HA ILE 85 -11.706 -4.478 2.809 522 HB ILE 85 HB ILE 85 -13.766 -4.735 0.568 523 HG13 ILE 85 2HG1 ILE 85 -12.763 -6.735 2.291 524 HG21 ILE 85 1HG2 ILE 85 -11.811 -4.986 -0.891 525 HG22 ILE 85 2HG2 ILE 85 -11.764 -3.408 -0.123 526 HG23 ILE 85 3HG2 ILE 85 -10.714 -4.685 0.468 527 HD11 ILE 85 3HD1 ILE 85 -13.684 -6.942 -0.581 528 HD12 ILE 85 1HD1 ILE 85 -13.208 -8.362 0.370 529 HD13 ILE 85 2HD1 ILE 85 -14.568 -7.354 0.877 530 H ARG 86 H ARG 86 -14.582 -2.532 1.658 531 HA ARG 86 HA ARG 86 -12.918 -0.500 0.569 532 HB3 ARG 86 2HB ARG 86 -15.291 -0.939 -0.050 533 HG3 ARG 86 2HG ARG 86 -15.770 0.098 2.649 534 HD3 ARG 86 2HD ARG 86 -17.069 1.623 0.371 535 HE ARG 86 HE ARG 86 -18.632 1.253 2.176 536 HH11 ARG 86 1HH1 ARG 86 -16.303 3.776 2.809 537 HH12 ARG 86 2HH1 ARG 86 -16.552 3.895 4.499 538 HH21 ARG 86 1HH2 ARG 86 -19.324 1.602 4.389 539 HH22 ARG 86 2HH2 ARG 86 -18.502 2.811 5.334 540 H ALA 87 H ALA 87 -13.811 -0.950 3.943 541 HA ALA 87 HA ALA 87 -12.904 1.744 4.530 542 HB1 ALA 87 1HB ALA 87 -13.545 -0.586 6.394 543 HB2 ALA 87 2HB ALA 87 -13.255 1.093 6.894 544 HB3 ALA 87 3HB ALA 87 -14.668 0.699 5.894 545 H LYS 88 H LYS 88 -11.467 -1.526 4.454 546 HA LYS 88 HA LYS 88 -9.437 -1.154 6.396 547 HB3 LYS 88 2HB LYS 88 -9.747 -3.101 4.079 548 HG3 LYS 88 2HG LYS 88 -7.326 -3.076 4.710 549 HD3 LYS 88 2HD LYS 88 -8.373 -3.920 7.456 550 HE3 LYS 88 2HE LYS 88 -5.533 -3.680 6.344 551 HZ1 LYS 88 3HZ LYS 88 -5.699 -3.382 8.724 552 HZ2 LYS 88 1HZ LYS 88 -4.932 -4.786 8.352 553 HZ3 LYS 88 2HZ LYS 88 -6.485 -4.819 8.897 554 H MET 89 H MET 89 -8.959 -1.325 2.831 555 HA MET 89 HA MET 89 -6.181 -0.888 3.136 556 HB3 MET 89 2HB MET 89 -7.197 -2.110 1.269 557 HG3 MET 89 2HG MET 89 -7.448 -0.108 -0.694 558 HE1 MET 89 3HE MET 89 -8.102 -1.329 -2.477 559 HE2 MET 89 1HE MET 89 -7.588 -2.809 -1.654 560 HE3 MET 89 2HE MET 89 -9.150 -2.760 -2.508 561 H VAL 90 H VAL 90 -8.811 1.373 2.566 562 HA VAL 90 HA VAL 90 -7.357 3.682 1.854 563 HB VAL 90 HB VAL 90 -9.922 3.288 3.449 564 HG11 VAL 90 1HG1 VAL 90 -8.797 5.846 2.232 565 HG12 VAL 90 2HG1 VAL 90 -10.468 5.651 2.792 566 HG13 VAL 90 3HG1 VAL 90 -9.139 5.536 3.952 567 HG21 VAL 90 3HG2 VAL 90 -9.679 4.243 0.569 568 HG22 VAL 90 1HG2 VAL 90 -9.827 2.533 0.958 569 HG23 VAL 90 2HG2 VAL 90 -11.113 3.643 1.442 570 H GLU 91 H GLU 91 -7.831 2.111 5.070 571 HA GLU 91 HA GLU 91 -7.032 4.463 6.550 572 HB3 GLU 91 2HB GLU 91 -6.979 1.632 7.627 573 HG3 GLU 91 2HG GLU 91 -8.196 4.087 8.909 574 H LEU 92 H LEU 92 -5.318 1.939 4.905 575 HA LEU 92 HA LEU 92 -3.124 1.674 6.750 576 HB3 LEU 92 2HB LEU 92 -2.067 0.367 4.905 577 HG LEU 92 HG LEU 92 -5.001 -0.303 5.376 578 HD11 LEU 92 1HD1 LEU 92 -4.487 -2.501 4.574 579 HD12 LEU 92 2HD1 LEU 92 -2.773 -2.083 4.334 580 HD13 LEU 92 3HD1 LEU 92 -4.024 -1.320 3.329 581 HD21 LEU 92 3HD2 LEU 92 -4.070 -1.994 6.959 582 HD22 LEU 92 1HD2 LEU 92 -3.745 -0.341 7.480 583 HD23 LEU 92 2HD2 LEU 92 -2.449 -1.295 6.726 584 H ARG 93 H ARG 93 -3.857 4.377 5.207 585 HA ARG 93 HA ARG 93 -1.492 5.132 3.852 586 HB3 ARG 93 2HB ARG 93 -3.247 7.076 5.412 587 HG3 ARG 93 2HG ARG 93 -1.834 7.134 2.704 588 HD3 ARG 93 2HD ARG 93 -4.122 8.183 2.624 589 HE ARG 93 HE ARG 93 -4.576 9.343 4.575 590 HH11 ARG 93 1HH1 ARG 93 -1.688 10.790 2.976 591 HH12 ARG 93 2HH1 ARG 93 -1.640 12.117 4.060 592 HH21 ARG 93 1HH2 ARG 93 -4.475 11.103 5.955 593 HH22 ARG 93 2HH2 ARG 93 -3.266 12.333 5.786 594 H ALA 94 H ALA 94 -2.435 5.379 7.339 595 HA ALA 94 HA ALA 94 0.018 6.495 8.278 596 HB1 ALA 94 1HB ALA 94 -1.907 6.407 9.753 597 HB2 ALA 94 2HB ALA 94 -1.923 4.621 9.678 598 HB3 ALA 94 3HB ALA 94 -0.579 5.479 10.454 599 H THR 95 H THR 95 -1.011 2.981 7.984 600 HA THR 95 HA THR 95 1.378 1.915 8.905 601 HB THR 95 HB THR 95 -0.138 0.613 6.651 602 HG1 THR 95 1HG THR 95 -1.245 0.961 9.262 603 HG21 THR 95 3HG2 THR 95 0.861 -0.432 9.335 604 HG22 THR 95 1HG2 THR 95 1.694 -0.618 7.773 605 HG23 THR 95 2HG2 THR 95 0.118 -1.394 8.037 606 H ALA 96 H ALA 96 0.536 3.067 5.637 607 HA ALA 96 HA ALA 96 2.816 2.005 4.300 608 HB1 ALA 96 1HB ALA 96 2.073 3.389 2.484 609 HB2 ALA 96 2HB ALA 96 0.651 2.671 3.265 610 HB3 ALA 96 3HB ALA 96 1.059 4.382 3.536 611 H ARG 97 H ARG 97 2.093 5.340 5.515 612 HA ARG 97 HA ARG 97 4.642 6.352 4.748 613 HB3 ARG 97 2HB ARG 97 2.608 7.759 5.292 614 HG3 ARG 97 2HG ARG 97 3.516 7.306 8.175 615 HD3 ARG 97 2HD ARG 97 1.150 8.960 7.273 616 HE ARG 97 HE ARG 97 2.291 8.168 9.782 617 HH11 ARG 97 1HH1 ARG 97 0.825 11.117 8.346 618 HH12 ARG 97 2HH1 ARG 97 0.698 11.868 9.910 619 HH21 ARG 97 1HH2 ARG 97 1.927 9.108 11.722 620 HH22 ARG 97 2HH2 ARG 97 1.127 10.623 11.895 621 H GLU 98 H GLU 98 3.573 4.619 7.631 622 HA GLU 98 HA GLU 98 5.842 4.801 9.237 623 HB3 GLU 98 2HB GLU 98 4.888 2.231 9.576 624 HG3 GLU 98 2HG GLU 98 3.197 3.460 11.087 625 H GLN 99 H GLN 99 5.134 2.270 6.677 626 HA GLN 99 HA GLN 99 7.462 0.863 7.013 627 HB3 GLN 99 2HB GLN 99 7.036 -0.007 4.745 628 HG3 GLN 99 2HG GLN 99 5.114 -1.138 5.256 629 HE21 GLN 99 1HE2 GLN 99 3.998 0.504 7.991 630 HE22 GLN 99 2HE2 GLN 99 5.034 -0.233 9.212 631 H ILE 100 H ILE 100 7.353 4.026 5.663 632 HA ILE 100 HA ILE 100 9.904 3.841 4.250 633 HB ILE 100 HB ILE 100 8.331 6.202 5.346 634 HG13 ILE 100 2HG1 ILE 100 7.651 6.689 3.048 635 HG21 ILE 100 1HG2 ILE 100 9.701 7.615 3.812 636 HG22 ILE 100 2HG2 ILE 100 10.619 6.920 5.144 637 HG23 ILE 100 3HG2 ILE 100 10.759 6.221 3.522 638 HD11 ILE 100 3HD1 ILE 100 9.434 5.587 1.728 639 HD12 ILE 100 1HD1 ILE 100 8.850 3.995 2.270 640 HD13 ILE 100 2HD1 ILE 100 7.832 5.028 1.255 641 H ILE 101 H ILE 101 8.823 5.284 7.395 642 HA ILE 101 HA ILE 101 11.522 5.990 8.155 643 HB ILE 101 HB ILE 101 8.852 5.980 9.616 644 HG13 ILE 101 2HG1 ILE 101 9.112 7.560 7.693 645 HG21 ILE 101 1HG2 ILE 101 10.564 5.787 11.348 646 HG22 ILE 101 2HG2 ILE 101 11.517 7.095 10.611 647 HG23 ILE 101 3HG2 ILE 101 9.939 7.412 11.362 648 HD11 ILE 101 3HD1 ILE 101 8.454 9.589 8.702 649 HD12 ILE 101 1HD1 ILE 101 7.801 8.289 9.724 650 HD13 ILE 101 2HD1 ILE 101 9.242 9.202 10.233 651 H SER 102 H SER 102 9.606 3.042 8.402 652 HA SER 102 HA SER 102 11.022 1.837 10.531 653 HB3 SER 102 2HB SER 102 9.978 0.053 8.589 654 HG SER 102 HG SER 102 9.619 0.183 10.944 655 H GLU 103 H GLU 103 12.020 2.698 7.255 656 HA GLU 103 HA GLU 103 14.323 0.886 7.403 657 HB3 GLU 103 2HB GLU 103 13.910 0.196 5.036 658 HG3 GLU 103 2HG GLU 103 11.703 -0.750 6.900 659 H ILE 104 H ILE 104 15.002 3.104 7.948 660 HA ILE 104 HA ILE 104 15.221 5.237 6.100 661 HB ILE 104 HB ILE 104 17.280 4.434 8.189 662 HG13 ILE 104 2HG1 ILE 104 16.058 5.722 9.877 663 HG21 ILE 104 1HG2 ILE 104 18.021 6.292 6.904 664 HG22 ILE 104 2HG2 ILE 104 16.452 7.113 7.003 665 HG23 ILE 104 3HG2 ILE 104 17.473 6.962 8.441 666 HD11 ILE 104 3HD1 ILE 104 13.652 6.217 9.595 667 HD12 ILE 104 1HD1 ILE 104 14.641 7.199 8.513 668 HD13 ILE 104 2HD1 ILE 104 13.752 5.786 7.887 Start of MODEL 11 1 H1 MET 1 H MET 1 31.907 18.843 -15.154 2 HA MET 1 HA MET 1 33.759 17.488 -15.958 3 HB3 MET 1 2HB MET 1 34.348 19.175 -14.352 4 HG3 MET 1 2HG MET 1 34.153 17.076 -12.160 5 HE1 MET 1 3HE MET 1 33.478 19.135 -9.801 6 HE2 MET 1 1HE MET 1 34.636 17.785 -9.659 7 HE3 MET 1 2HE MET 1 35.117 19.428 -9.181 8 H THR 2 H THR 2 32.260 15.927 -12.964 9 HA THR 2 HA THR 2 32.437 13.472 -14.470 10 HB THR 2 HB THR 2 34.314 13.419 -12.846 11 HG1 THR 2 1HG THR 2 33.650 11.406 -11.967 12 HG21 THR 2 3HG2 THR 2 33.889 13.234 -10.438 13 HG22 THR 2 1HG2 THR 2 32.166 13.583 -10.683 14 HG23 THR 2 2HG2 THR 2 33.395 14.827 -11.023 15 H THR 3 H THR 3 30.829 11.971 -13.057 16 HA THR 3 HA THR 3 28.425 13.264 -12.046 17 HB THR 3 HB THR 3 27.184 11.790 -13.870 18 HG1 THR 3 1HG THR 3 29.074 10.961 -14.831 19 HG21 THR 3 3HG2 THR 3 26.941 13.665 -15.387 20 HG22 THR 3 1HG2 THR 3 28.408 14.436 -14.758 21 HG23 THR 3 2HG2 THR 3 26.974 14.266 -13.720 22 H PHE 4 H PHE 4 27.229 11.551 -10.789 23 HA PHE 4 HA PHE 4 28.290 8.842 -10.873 24 HB3 PHE 4 2HB PHE 4 28.664 10.383 -8.275 25 HD1 PHE 4 2HD PHE 4 27.753 7.610 -8.040 26 HD2 PHE 4 1HD PHE 4 31.698 9.100 -8.994 27 HE1 PHE 4 2HE PHE 4 28.760 5.527 -7.180 28 HE2 PHE 4 1HE PHE 4 32.686 7.009 -8.113 29 HZ PHE 4 HZ PHE 4 31.218 5.218 -7.206 30 H ASP 5 H ASP 5 26.040 8.428 -11.373 31 HA ASP 5 HA ASP 5 24.019 9.252 -9.415 32 HB3 ASP 5 2HB ASP 5 23.722 7.425 -11.802 33 H ASP 6 H ASP 6 24.564 8.410 -7.555 34 HA ASP 6 HA ASP 6 23.393 5.872 -6.956 35 HB3 ASP 6 2HB ASP 6 26.334 6.269 -6.203 36 H ARG 7 H ARG 7 21.857 7.244 -5.754 37 HA ARG 7 HA ARG 7 22.998 8.936 -3.653 38 HB3 ARG 7 2HB ARG 7 21.152 9.533 -5.972 39 HG3 ARG 7 2HG ARG 7 20.856 10.469 -3.127 40 HD3 ARG 7 2HD ARG 7 21.129 12.557 -4.227 41 HE ARG 7 HE ARG 7 19.838 11.638 -6.530 42 HH11 ARG 7 1HH1 ARG 7 19.535 14.391 -4.224 43 HH12 ARG 7 2HH1 ARG 7 19.352 15.524 -5.521 44 HH21 ARG 7 1HH2 ARG 7 19.181 13.164 -8.128 45 HH22 ARG 7 2HH2 ARG 7 18.949 14.820 -7.698 46 H GLU 8 H GLU 8 22.290 8.157 -1.709 47 HA GLU 8 HA GLU 8 20.143 6.267 -1.532 48 HB3 GLU 8 2HB GLU 8 21.791 6.067 0.141 49 HG3 GLU 8 2HG GLU 8 21.826 8.084 1.914 50 H ARG 9 H ARG 9 18.374 6.580 -0.044 51 HA ARG 9 HA ARG 9 16.680 8.780 -1.002 52 HB3 ARG 9 2HB ARG 9 14.910 7.677 0.337 53 HG3 ARG 9 2HG ARG 9 16.424 6.403 -1.796 54 HD3 ARG 9 2HD ARG 9 16.725 4.445 -0.497 55 HE ARG 9 HE ARG 9 15.341 3.773 1.128 56 HH11 ARG 9 1HH1 ARG 9 13.310 5.468 -1.168 57 HH12 ARG 9 2HH1 ARG 9 12.175 5.805 0.086 58 HH21 ARG 9 1HH2 ARG 9 13.486 3.749 2.491 59 HH22 ARG 9 2HH2 ARG 9 11.970 4.247 1.926 60 H ALA 10 H ALA 10 17.793 7.679 2.201 61 HA ALA 10 HA ALA 10 18.094 8.705 4.185 62 HB1 ALA 10 1HB ALA 10 19.224 10.881 2.402 63 HB2 ALA 10 2HB ALA 10 19.553 10.684 4.133 64 HB3 ALA 10 3HB ALA 10 20.092 9.439 2.983 65 H HIS 11 H HIS 11 15.659 8.805 4.312 66 HA HIS 11 HA HIS 11 14.352 11.195 3.542 67 HB3 HIS 11 2HB HIS 11 13.323 8.909 3.756 68 HD1 HIS 11 1HD HIS 11 10.800 8.992 5.948 69 HD2 HIS 11 2HD HIS 11 14.925 8.905 6.824 70 HE1 HIS 11 1HE HIS 11 11.010 8.078 8.264 71 H GLU 12 H GLU 12 16.394 11.044 6.152 72 HA GLU 12 HA GLU 12 14.780 12.160 8.248 73 HB3 GLU 12 2HB GLU 12 17.120 12.890 9.124 74 HG3 GLU 12 2HG GLU 12 16.219 10.030 8.742 75 H ALA 13 H ALA 13 14.192 14.167 8.591 76 HA ALA 13 HA ALA 13 13.492 16.212 8.193 77 HB1 ALA 13 1HB ALA 13 16.286 16.815 7.174 78 HB2 ALA 13 2HB ALA 13 15.064 17.995 7.697 79 HB3 ALA 13 3HB ALA 13 15.755 16.865 8.875 80 H LYS 14 H LYS 14 14.280 14.334 5.525 81 HA LYS 14 HA LYS 14 13.352 16.184 3.457 82 HB3 LYS 14 2HB LYS 14 13.138 13.960 2.155 83 HG3 LYS 14 2HG LYS 14 15.911 14.388 3.324 84 HD3 LYS 14 2HD LYS 14 14.821 13.563 0.594 85 HE3 LYS 14 2HE LYS 14 17.685 13.615 1.610 86 HZ1 LYS 14 3HZ LYS 14 18.170 12.899 -0.645 87 HZ2 LYS 14 1HZ LYS 14 16.549 12.897 -1.032 88 HZ3 LYS 14 2HZ LYS 14 17.137 11.858 0.065 89 H PHE 15 H PHE 15 11.817 13.894 5.672 90 HA PHE 15 HA PHE 15 9.627 13.229 4.123 91 HB3 PHE 15 2HB PHE 15 9.034 13.497 7.026 92 HD1 PHE 15 1HD PHE 15 10.197 10.960 4.496 93 HD2 PHE 15 2HD PHE 15 7.181 12.081 7.367 94 HE1 PHE 15 1HE PHE 15 9.064 8.798 4.138 95 HE2 PHE 15 2HE PHE 15 6.043 9.908 7.008 96 HZ PHE 15 HZ PHE 15 7.006 8.244 5.465 97 H ALA 16 H ALA 16 10.138 16.313 5.481 98 HA ALA 16 HA ALA 16 7.415 17.173 4.668 99 HB1 ALA 16 1HB ALA 16 8.925 18.265 7.086 100 HB2 ALA 16 2HB ALA 16 7.316 18.736 6.501 101 HB3 ALA 16 3HB ALA 16 7.541 17.132 7.174 102 H HIS 17 H HIS 17 9.724 16.979 3.030 103 HA HIS 17 HA HIS 17 10.028 19.770 2.304 104 HB3 HIS 17 2HB HIS 17 12.681 18.394 2.427 105 HD1 HIS 17 1HD HIS 17 12.635 20.697 0.656 106 HD2 HIS 17 2HD HIS 17 12.486 21.182 4.842 107 HE1 HIS 17 1HE HIS 17 13.300 23.120 1.122 108 H ASP 18 H ASP 18 11.720 16.671 1.502 109 HA ASP 18 HA ASP 18 11.540 17.118 -1.342 110 HB3 ASP 18 2HB ASP 18 12.109 14.616 -1.439 111 H ALA 19 H ALA 19 9.826 16.865 -2.520 112 HA ALA 19 HA ALA 19 7.313 16.066 -1.475 113 HB1 ALA 19 1HB ALA 19 7.691 17.736 -3.297 114 HB2 ALA 19 2HB ALA 19 8.197 16.421 -4.387 115 HB3 ALA 19 3HB ALA 19 6.539 16.486 -3.787 116 H GLU 20 H GLU 20 9.729 14.325 -3.321 117 HA GLU 20 HA GLU 20 8.262 12.126 -4.290 118 HB3 GLU 20 2HB GLU 20 10.702 11.013 -3.904 119 HG3 GLU 20 2HG GLU 20 11.571 12.463 -5.813 120 H LEU 21 H LEU 21 10.318 12.167 -1.339 121 HA LEU 21 HA LEU 21 9.549 9.442 -0.730 122 HB3 LEU 21 2HB LEU 21 10.909 9.700 1.275 123 HG LEU 21 HG LEU 21 12.276 11.456 -0.803 124 HD11 LEU 21 1HD1 LEU 21 13.411 9.583 1.308 125 HD12 LEU 21 2HD1 LEU 21 13.316 11.351 1.433 126 HD13 LEU 21 3HD1 LEU 21 14.327 10.614 0.188 127 HD21 LEU 21 3HD2 LEU 21 13.319 9.411 -1.717 128 HD22 LEU 21 1HD2 LEU 21 11.566 9.406 -1.963 129 HD23 LEU 21 2HD2 LEU 21 12.280 8.413 -0.674 130 H ASN 22 H ASN 22 8.536 12.628 0.317 131 HA ASN 22 HA ASN 22 6.729 12.080 2.420 132 HB3 ASN 22 2HB ASN 22 6.475 14.168 0.202 133 HD21 ASN 22 1HD2 ASN 22 6.226 16.354 1.920 134 HD22 ASN 22 2HD2 ASN 22 4.791 16.174 2.899 135 H PHE 23 H PHE 23 6.031 12.441 -1.139 136 HA PHE 23 HA PHE 23 3.392 11.526 -1.078 137 HB3 PHE 23 2HB PHE 23 5.363 11.052 -3.337 138 HD1 PHE 23 1HD PHE 23 3.852 9.097 -3.987 139 HD2 PHE 23 2HD PHE 23 2.373 13.125 -3.629 140 HE1 PHE 23 1HE PHE 23 1.898 8.505 -5.405 141 HE2 PHE 23 2HE PHE 23 0.428 12.536 -5.030 142 HZ PHE 23 HZ PHE 23 0.193 10.253 -5.944 143 H LYS 24 H LYS 24 6.399 9.563 -1.604 144 HA LYS 24 HA LYS 24 5.126 7.163 -2.159 145 HB3 LYS 24 2HB LYS 24 7.320 6.629 -0.329 146 HG3 LYS 24 2HG LYS 24 8.047 6.619 -3.148 147 HD3 LYS 24 2HD LYS 24 7.992 4.046 -2.632 148 HE3 LYS 24 2HE LYS 24 9.841 5.759 -0.937 149 HZ1 LYS 24 3HZ LYS 24 11.339 3.951 -1.324 150 HZ2 LYS 24 1HZ LYS 24 10.347 3.224 -2.403 151 HZ3 LYS 24 2HZ LYS 24 9.937 3.274 -0.824 152 H ALA 25 H ALA 25 5.359 8.723 0.947 153 HA ALA 25 HA ALA 25 4.292 6.391 2.380 154 HB1 ALA 25 1HB ALA 25 6.266 7.879 3.207 155 HB2 ALA 25 2HB ALA 25 5.105 9.186 3.413 156 HB3 ALA 25 3HB ALA 25 4.945 7.702 4.364 157 H GLU 26 H GLU 26 3.449 9.881 1.920 158 HA GLU 26 HA GLU 26 0.943 9.650 3.196 159 HB3 GLU 26 2HB GLU 26 1.907 11.509 0.975 160 HG3 GLU 26 2HG GLU 26 -0.516 11.532 2.813 161 H ALA 27 H ALA 27 1.972 8.547 0.042 162 HA ALA 27 HA ALA 27 -0.837 8.052 -0.787 163 HB1 ALA 27 1HB ALA 27 1.610 7.943 -2.561 164 HB2 ALA 27 2HB ALA 27 -0.094 8.016 -3.036 165 HB3 ALA 27 3HB ALA 27 0.665 9.428 -2.272 166 H ARG 28 H ARG 28 1.365 6.340 0.939 167 HA ARG 28 HA ARG 28 1.640 3.846 -0.335 168 HB3 ARG 28 2HB ARG 28 1.155 3.679 2.481 169 HG3 ARG 28 2HG ARG 28 3.535 3.034 0.740 170 HD3 ARG 28 2HD ARG 28 2.805 2.877 3.551 171 HE ARG 28 HE ARG 28 2.726 0.650 3.771 172 HH11 ARG 28 1HH1 ARG 28 5.611 1.321 1.919 173 HH12 ARG 28 2HH1 ARG 28 5.941 -0.326 1.558 174 HH21 ARG 28 1HH2 ARG 28 3.212 -1.506 3.468 175 HH22 ARG 28 2HH2 ARG 28 4.582 -1.980 2.509 176 H ARG 29 H ARG 29 -1.233 5.368 0.582 177 HA ARG 29 HA ARG 29 -2.813 3.522 1.926 178 HB3 ARG 29 2HB ARG 29 -4.623 5.107 1.483 179 HG3 ARG 29 2HG ARG 29 -1.981 6.525 1.825 180 HD3 ARG 29 2HD ARG 29 -3.494 8.185 3.085 181 HE ARG 29 HE ARG 29 -2.463 8.589 0.896 182 HH11 ARG 29 1HH1 ARG 29 -6.035 8.841 1.283 183 HH12 ARG 29 2HH1 ARG 29 -6.132 10.149 0.152 184 HH21 ARG 29 1HH2 ARG 29 -2.695 10.019 -0.761 185 HH22 ARG 29 2HH2 ARG 29 -4.223 10.668 -1.209 186 H ASN 30 H ASN 30 -1.863 2.624 -0.945 187 HA ASN 30 HA ASN 30 -4.426 1.090 -1.351 188 HB3 ASN 30 2HB ASN 30 -3.187 0.842 -3.732 189 HD21 ASN 30 1HD2 ASN 30 -5.783 0.316 -3.307 190 HD22 ASN 30 2HD2 ASN 30 -6.759 1.477 -4.117 191 H ARG 31 H ARG 31 -1.079 0.907 -2.574 192 HA ARG 31 HA ARG 31 -1.149 -1.828 -2.737 193 HB3 ARG 31 2HB ARG 31 0.381 -0.431 -3.980 194 HG3 ARG 31 2HG ARG 31 2.635 0.047 -3.288 195 HD3 ARG 31 2HD ARG 31 1.156 1.332 -1.036 196 HE ARG 31 HE ARG 31 3.471 2.108 -1.876 197 HH11 ARG 31 1HH1 ARG 31 1.059 3.021 -4.179 198 HH12 ARG 31 2HH1 ARG 31 1.316 4.714 -4.168 199 HH21 ARG 31 1HH2 ARG 31 3.949 4.508 -1.725 200 HH22 ARG 31 2HH2 ARG 31 3.374 5.373 -3.113 201 H LEU 32 H LEU 32 -0.622 -0.142 0.200 202 HA LEU 32 HA LEU 32 0.807 -2.209 1.578 203 HB3 LEU 32 2HB LEU 32 0.607 0.273 2.101 204 HG LEU 32 HG LEU 32 -1.612 -0.608 4.001 205 HD11 LEU 32 1HD1 LEU 32 -1.568 1.807 4.580 206 HD12 LEU 32 2HD1 LEU 32 -0.334 2.081 3.340 207 HD13 LEU 32 3HD1 LEU 32 0.006 1.081 4.771 208 HD21 LEU 32 3HD2 LEU 32 -1.951 0.883 1.375 209 HD22 LEU 32 1HD2 LEU 32 -2.978 1.260 2.772 210 HD23 LEU 32 2HD2 LEU 32 -2.980 -0.337 2.108 211 H LEU 33 H LEU 33 -2.550 -1.899 0.621 212 HA LEU 33 HA LEU 33 -3.710 -3.808 2.401 213 HB3 LEU 33 2HB LEU 33 -4.355 -2.914 -0.436 214 HG LEU 33 HG LEU 33 -5.785 -4.808 0.500 215 HD11 LEU 33 1HD1 LEU 33 -5.970 -4.015 2.849 216 HD12 LEU 33 2HD1 LEU 33 -7.574 -4.115 2.091 217 HD13 LEU 33 3HD1 LEU 33 -6.771 -2.536 2.289 218 HD21 LEU 33 3HD2 LEU 33 -7.898 -3.506 -0.241 219 HD22 LEU 33 1HD2 LEU 33 -6.552 -3.594 -1.371 220 HD23 LEU 33 2HD2 LEU 33 -6.784 -2.103 -0.456 221 H GLY 34 H GLY 34 -1.795 -3.943 -0.557 222 HA2 GLY 34 1HA GLY 34 -2.157 -6.757 -1.188 223 HA3 GLY 34 2HA GLY 34 -0.805 -5.710 -1.667 224 H GLU 35 H GLU 35 0.299 -4.804 0.539 225 HA GLU 35 HA GLU 35 1.772 -6.938 1.634 226 HB3 GLU 35 2HB GLU 35 2.749 -5.175 3.116 227 HG3 GLU 35 2HG GLU 35 3.266 -3.397 1.326 228 H TRP 36 H TRP 36 -1.346 -6.024 2.542 229 HA TRP 36 HA TRP 36 -1.168 -7.225 5.254 230 HB3 TRP 36 2HB TRP 36 -3.375 -5.951 3.615 231 HD1 TRP 36 HD TRP 36 -3.125 -7.454 7.203 232 HE1 TRP 36 1HE TRP 36 -5.414 -8.463 7.817 233 HE3 TRP 36 3HE TRP 36 -5.683 -6.391 2.890 234 HZ2 TRP 36 2HZ TRP 36 -8.037 -8.643 6.650 235 HZ3 TRP 36 3HZ TRP 36 -8.090 -6.957 2.685 236 HH2 TRP 36 HH TRP 36 -9.272 -8.065 4.565 237 H ALA 37 H ALA 37 -3.395 -7.802 2.530 238 HA ALA 37 HA ALA 37 -4.043 -10.390 3.342 239 HB1 ALA 37 1HB ALA 37 -4.212 -9.054 0.601 240 HB2 ALA 37 2HB ALA 37 -5.079 -10.533 1.045 241 HB3 ALA 37 3HB ALA 37 -5.458 -9.008 1.877 242 H ALA 38 H ALA 38 -1.220 -9.492 1.368 243 HA ALA 38 HA ALA 38 -0.846 -11.917 -0.015 244 HB1 ALA 38 1HB ALA 38 1.267 -10.089 1.209 245 HB2 ALA 38 2HB ALA 38 1.501 -11.278 -0.092 246 HB3 ALA 38 3HB ALA 38 0.496 -9.867 -0.380 247 H GLY 39 H GLY 39 0.413 -10.995 3.269 248 HA2 GLY 39 1HA GLY 39 1.579 -13.379 3.989 249 HA3 GLY 39 2HA GLY 39 0.826 -12.232 5.110 250 H LEU 40 H LEU 40 -1.859 -12.416 4.644 251 HA LEU 40 HA LEU 40 -2.823 -14.687 5.851 252 HB3 LEU 40 2HB LEU 40 -4.989 -14.009 4.725 253 HG LEU 40 HG LEU 40 -4.405 -12.984 6.834 254 HD11 LEU 40 1HD1 LEU 40 -3.662 -10.620 6.958 255 HD12 LEU 40 2HD1 LEU 40 -3.101 -10.777 5.294 256 HD13 LEU 40 3HD1 LEU 40 -2.387 -11.789 6.575 257 HD21 LEU 40 3HD2 LEU 40 -5.652 -10.925 4.974 258 HD22 LEU 40 1HD2 LEU 40 -5.988 -11.143 6.692 259 HD23 LEU 40 2HD2 LEU 40 -6.502 -12.370 5.549 260 H LEU 41 H LEU 41 -2.336 -14.112 2.380 261 HA LEU 41 HA LEU 41 -3.564 -16.653 1.580 262 HB3 LEU 41 2HB LEU 41 -2.983 -15.807 -0.719 263 HG LEU 41 HG LEU 41 -4.462 -13.900 1.129 264 HD11 LEU 41 1HD1 LEU 41 -5.407 -12.894 -0.902 265 HD12 LEU 41 2HD1 LEU 41 -4.284 -13.853 -1.897 266 HD13 LEU 41 3HD1 LEU 41 -3.655 -12.633 -0.770 267 HD21 LEU 41 3HD2 LEU 41 -6.460 -14.818 -0.008 268 HD22 LEU 41 1HD2 LEU 41 -5.610 -16.015 0.963 269 HD23 LEU 41 2HD2 LEU 41 -5.435 -16.019 -0.803 270 H GLY 42 H GLY 42 -0.562 -16.002 2.863 271 HA2 GLY 42 1HA GLY 42 1.154 -17.539 3.122 272 HA3 GLY 42 2HA GLY 42 0.519 -18.506 1.781 273 H LYS 43 H LYS 43 1.119 -15.020 1.468 274 HA LYS 43 HA LYS 43 3.308 -15.561 -0.471 275 HB3 LYS 43 2HB LYS 43 2.268 -13.883 -1.879 276 HG3 LYS 43 2HG LYS 43 0.017 -15.623 -0.757 277 HD3 LYS 43 2HD LYS 43 0.366 -14.438 -3.525 278 HE3 LYS 43 2HE LYS 43 -1.190 -16.738 -2.345 279 HZ1 LYS 43 3HZ LYS 43 -2.277 -14.983 -4.469 280 HZ2 LYS 43 1HZ LYS 43 -3.030 -15.423 -3.104 281 HZ3 LYS 43 2HZ LYS 43 -2.721 -16.542 -4.264 282 H THR 44 H THR 44 5.175 -14.519 0.097 283 HA THR 44 HA THR 44 5.022 -11.799 1.266 284 HB THR 44 HB THR 44 6.790 -12.312 2.870 285 HG1 THR 44 1HG THR 44 6.446 -14.958 1.904 286 HG21 THR 44 3HG2 THR 44 4.403 -14.134 3.313 287 HG22 THR 44 1HG2 THR 44 4.447 -12.393 3.649 288 HG23 THR 44 2HG2 THR 44 5.507 -13.495 4.546 289 H GLY 45 H GLY 45 7.464 -10.976 1.345 290 HA2 GLY 45 1HA GLY 45 9.121 -10.148 0.107 291 HA3 GLY 45 2HA GLY 45 9.417 -11.828 -0.386 292 H ASP 46 H ASP 46 9.632 -11.891 -2.555 293 HA ASP 46 HA ASP 46 8.797 -9.806 -4.326 294 HB3 ASP 46 2HB ASP 46 9.516 -12.652 -5.080 295 H ASP 47 H ASP 47 7.161 -12.733 -3.256 296 HA ASP 47 HA ASP 47 5.274 -12.915 -5.422 297 HB3 ASP 47 2HB ASP 47 4.808 -13.886 -2.687 298 H ALA 48 H ALA 48 5.265 -11.613 -2.219 299 HA ALA 48 HA ALA 48 2.612 -10.420 -2.277 300 HB1 ALA 48 1HB ALA 48 3.707 -10.772 -0.138 301 HB2 ALA 48 2HB ALA 48 5.068 -9.717 -0.629 302 HB3 ALA 48 3HB ALA 48 3.439 -9.020 -0.402 303 H ARG 49 H ARG 49 5.916 -9.180 -3.186 304 HA ARG 49 HA ARG 49 5.269 -6.605 -3.722 305 HB3 ARG 49 2HB ARG 49 6.991 -8.142 -5.678 306 HG3 ARG 49 2HG ARG 49 7.989 -6.025 -3.893 307 HD3 ARG 49 2HD ARG 49 8.935 -5.156 -6.110 308 HE ARG 49 HE ARG 49 9.420 -8.108 -6.098 309 HH11 ARG 49 1HH1 ARG 49 10.758 -4.863 -5.370 310 HH12 ARG 49 2HH1 ARG 49 12.341 -5.519 -5.068 311 HH21 ARG 49 1HH2 ARG 49 11.395 -8.831 -5.795 312 HH22 ARG 49 2HH2 ARG 49 12.724 -7.857 -5.199 313 H ALA 50 H ALA 50 4.942 -9.398 -6.020 314 HA ALA 50 HA ALA 50 3.969 -7.782 -8.154 315 HB1 ALA 50 1HB ALA 50 3.441 -10.740 -7.601 316 HB2 ALA 50 2HB ALA 50 3.229 -9.910 -9.157 317 HB3 ALA 50 3HB ALA 50 4.853 -10.075 -8.444 318 H TYR 51 H TYR 51 2.231 -9.666 -5.694 319 HA TYR 51 HA TYR 51 -0.416 -9.102 -6.431 320 HB3 TYR 51 2HB TYR 51 0.849 -9.409 -3.682 321 HD1 TYR 51 2HD TYR 51 -2.219 -10.724 -5.439 322 HD2 TYR 51 1HD TYR 51 -0.634 -8.706 -1.938 323 HE1 TYR 51 2HE TYR 51 -4.357 -11.010 -4.282 324 HE2 TYR 51 1HE TYR 51 -2.686 -9.049 -0.791 325 HH TYR 51 HH TYR 51 -5.308 -11.034 -2.103 326 H ALA 52 H ALA 52 1.812 -7.182 -4.361 327 HA ALA 52 HA ALA 52 0.026 -5.091 -3.730 328 HB1 ALA 52 1HB ALA 52 3.049 -4.915 -4.042 329 HB2 ALA 52 2HB ALA 52 2.018 -3.893 -3.024 330 HB3 ALA 52 3HB ALA 52 2.229 -5.599 -2.613 331 H LEU 53 H LEU 53 1.426 -5.732 -6.835 332 HA LEU 53 HA LEU 53 1.290 -2.890 -7.672 333 HB3 LEU 53 2HB LEU 53 2.309 -3.768 -9.791 334 HG LEU 53 HG LEU 53 3.670 -4.250 -7.111 335 HD11 LEU 53 1HD1 LEU 53 5.767 -4.624 -8.162 336 HD12 LEU 53 2HD1 LEU 53 5.023 -4.577 -9.791 337 HD13 LEU 53 3HD1 LEU 53 4.624 -5.863 -8.638 338 HD21 LEU 53 3HD2 LEU 53 4.290 -2.246 -9.311 339 HD22 LEU 53 1HD2 LEU 53 5.006 -2.310 -7.687 340 HD23 LEU 53 2HD2 LEU 53 3.300 -1.879 -7.889 341 H THR 54 H THR 54 -0.687 -5.722 -7.638 342 HA THR 54 HA THR 54 -2.594 -4.427 -9.494 343 HB THR 54 HB THR 54 -1.839 -6.548 -10.316 344 HG1 THR 54 1HG THR 54 -4.466 -6.644 -9.307 345 HG21 THR 54 3HG2 THR 54 -2.423 -8.676 -9.205 346 HG22 THR 54 1HG2 THR 54 -2.849 -7.783 -7.713 347 HG23 THR 54 2HG2 THR 54 -1.171 -7.773 -8.337 348 H VAL 55 H VAL 55 -2.011 -3.659 -6.723 349 HA VAL 55 HA VAL 55 -4.831 -3.706 -5.811 350 HB VAL 55 HB VAL 55 -2.434 -4.207 -3.961 351 HG11 VAL 55 1HG1 VAL 55 -5.414 -3.822 -3.381 352 HG12 VAL 55 2HG1 VAL 55 -4.237 -4.439 -2.210 353 HG13 VAL 55 3HG1 VAL 55 -4.096 -2.789 -2.816 354 HG21 VAL 55 3HG2 VAL 55 -3.243 -6.255 -5.178 355 HG22 VAL 55 1HG2 VAL 55 -3.572 -6.332 -3.463 356 HG23 VAL 55 2HG2 VAL 55 -4.873 -5.912 -4.615 357 H VAL 56 H VAL 56 -4.644 -1.752 -7.162 358 HA VAL 56 HA VAL 56 -3.823 0.493 -5.547 359 HB VAL 56 HB VAL 56 -3.173 0.655 -8.467 360 HG11 VAL 56 1HG1 VAL 56 -1.483 2.312 -7.531 361 HG12 VAL 56 2HG1 VAL 56 -3.156 2.748 -7.192 362 HG13 VAL 56 3HG1 VAL 56 -2.148 2.016 -5.918 363 HG21 VAL 56 3HG2 VAL 56 -1.231 -0.415 -6.371 364 HG22 VAL 56 1HG2 VAL 56 -1.844 -1.292 -7.802 365 HG23 VAL 56 2HG2 VAL 56 -0.801 0.112 -8.013 366 H THR 57 H THR 57 -4.801 2.508 -6.513 367 HA THR 57 HA THR 57 -6.382 3.895 -6.854 368 HB THR 57 HB THR 57 -6.433 2.585 -9.067 369 HG1 THR 57 1HG THR 57 -8.186 3.870 -9.734 370 HG21 THR 57 3HG2 THR 57 -8.324 1.285 -9.593 371 HG22 THR 57 1HG2 THR 57 -9.348 2.111 -8.414 372 HG23 THR 57 2HG2 THR 57 -8.212 0.914 -7.856 373 H SER 58 H SER 58 -7.717 0.788 -5.971 374 HA SER 58 HA SER 58 -9.140 0.012 -4.465 375 HB3 SER 58 2HB SER 58 -8.337 1.500 -2.754 376 HG SER 58 HG SER 58 -9.160 3.447 -4.061 377 H ASP 59 H ASP 59 -11.434 -0.400 -4.335 378 HA ASP 59 HA ASP 59 -13.127 1.004 -6.241 379 HB3 ASP 59 2HB ASP 59 -12.362 -1.821 -7.065 380 H PHE 60 H PHE 60 -14.697 1.047 -4.659 381 HA PHE 60 HA PHE 60 -16.125 -1.356 -3.978 382 HB3 PHE 60 2HB PHE 60 -14.897 -0.123 -1.522 383 HD1 PHE 60 2HD PHE 60 -17.654 -1.596 -1.781 384 HD2 PHE 60 1HD PHE 60 -13.631 -2.969 -1.024 385 HE1 PHE 60 2HE PHE 60 -18.534 -3.493 -0.484 386 HE2 PHE 60 1HE PHE 60 -14.544 -4.867 0.257 387 HZ PHE 60 HZ PHE 60 -16.998 -5.189 0.484 388 H ASP 61 H ASP 61 -17.229 0.814 -5.229 389 HA ASP 61 HA ASP 61 -18.752 2.240 -3.104 390 HB3 ASP 61 2HB ASP 61 -17.451 3.977 -5.177 391 H GLU 62 H GLU 62 -20.833 2.502 -3.624 392 HA GLU 62 HA GLU 62 -22.752 1.960 -4.525 393 HB3 GLU 62 2HB GLU 62 -22.822 2.504 -7.243 394 HG3 GLU 62 2HG GLU 62 -23.089 4.918 -5.525 395 HA PRO 63 HA PRO 63 -22.641 -2.090 -6.260 396 HB3 PRO 63 2HB PRO 63 -24.832 -2.244 -5.625 397 HG3 PRO 63 2HG PRO 63 -26.415 -0.525 -6.151 398 HD3 PRO 63 2HD PRO 63 -24.708 0.596 -4.983 399 H GLY 64 H GLY 64 -20.884 -1.061 -7.596 400 HA2 GLY 64 1HA GLY 64 -21.134 -2.118 -10.285 401 HA3 GLY 64 2HA GLY 64 -20.924 -0.356 -10.228 402 H ASP 65 H ASP 65 -19.238 -0.128 -7.952 403 HA ASP 65 HA ASP 65 -16.706 -0.843 -9.243 404 HB3 ASP 65 2HB ASP 65 -15.749 0.487 -7.306 405 H GLU 66 H GLU 66 -16.835 -3.012 -9.004 406 HA GLU 66 HA GLU 66 -15.771 -4.038 -6.456 407 HB3 GLU 66 2HB GLU 66 -17.071 -6.222 -7.168 408 HG3 GLU 66 2HG GLU 66 -18.830 -4.305 -5.691 409 H ASP 67 H ASP 67 -14.048 -3.319 -8.178 410 HA ASP 67 HA ASP 67 -13.494 -5.638 -9.971 411 HB3 ASP 67 2HB ASP 67 -11.441 -3.615 -10.149 412 H VAL 68 H VAL 68 -11.497 -3.678 -7.700 413 HA VAL 68 HA VAL 68 -9.572 -5.778 -7.469 414 HB VAL 68 HB VAL 68 -9.126 -3.365 -7.120 415 HG11 VAL 68 1HG1 VAL 68 -9.553 -2.192 -5.114 416 HG12 VAL 68 2HG1 VAL 68 -11.107 -2.851 -5.643 417 HG13 VAL 68 3HG1 VAL 68 -10.232 -3.626 -4.312 418 HG21 VAL 68 3HG2 VAL 68 -7.537 -5.121 -6.349 419 HG22 VAL 68 1HG2 VAL 68 -7.454 -3.663 -5.362 420 HG23 VAL 68 2HG2 VAL 68 -8.300 -5.093 -4.749 421 H PHE 69 H PHE 69 -12.302 -4.823 -5.349 422 HA PHE 69 HA PHE 69 -11.788 -6.686 -3.258 423 HB3 PHE 69 2HB PHE 69 -14.210 -5.175 -4.250 424 HD1 PHE 69 2HD PHE 69 -13.447 -6.662 -0.895 425 HD2 PHE 69 1HD PHE 69 -16.033 -6.695 -4.340 426 HE1 PHE 69 2HE PHE 69 -15.052 -8.159 0.301 427 HE2 PHE 69 1HE PHE 69 -17.593 -8.176 -3.148 428 HZ PHE 69 HZ PHE 69 -17.099 -8.938 -0.863 429 H ARG 70 H ARG 70 -13.346 -7.060 -6.399 430 HA ARG 70 HA ARG 70 -15.012 -9.214 -5.968 431 HB3 ARG 70 2HB ARG 70 -13.314 -8.765 -8.462 432 HG3 ARG 70 2HG ARG 70 -14.897 -10.712 -8.539 433 HD3 ARG 70 2HD ARG 70 -16.714 -9.574 -7.116 434 HE ARG 70 HE ARG 70 -16.805 -7.561 -9.007 435 HH11 ARG 70 1HH1 ARG 70 -18.978 -9.686 -7.211 436 HH12 ARG 70 2HH1 ARG 70 -20.420 -8.914 -7.698 437 HH21 ARG 70 1HH2 ARG 70 -18.911 -6.447 -9.687 438 HH22 ARG 70 2HH2 ARG 70 -20.323 -7.057 -8.905 439 H LYS 71 H LYS 71 -11.576 -9.373 -6.932 440 HA LYS 71 HA LYS 71 -11.631 -12.320 -6.654 441 HB3 LYS 71 2HB LYS 71 -9.380 -12.232 -7.543 442 HG3 LYS 71 2HG LYS 71 -9.616 -11.191 -9.673 443 HD3 LYS 71 2HD LYS 71 -12.006 -11.459 -10.410 444 HE3 LYS 71 2HE LYS 71 -10.225 -13.534 -9.536 445 HZ1 LYS 71 3HZ LYS 71 -11.793 -14.373 -8.058 446 HZ2 LYS 71 1HZ LYS 71 -12.033 -15.253 -9.414 447 HZ3 LYS 71 2HZ LYS 71 -13.094 -14.069 -9.093 448 H LEU 72 H LEU 72 -10.605 -9.515 -4.811 449 HA LEU 72 HA LEU 72 -8.745 -10.669 -3.059 450 HB3 LEU 72 2HB LEU 72 -10.960 -8.654 -2.361 451 HG LEU 72 HG LEU 72 -9.497 -7.485 -0.962 452 HD11 LEU 72 1HD1 LEU 72 -10.690 -9.512 -0.067 453 HD12 LEU 72 2HD1 LEU 72 -9.338 -8.871 0.900 454 HD13 LEU 72 3HD1 LEU 72 -9.125 -10.329 -0.097 455 HD21 LEU 72 3HD2 LEU 72 -7.353 -9.532 -1.577 456 HD22 LEU 72 1HD2 LEU 72 -7.232 -8.218 -0.386 457 HD23 LEU 72 2HD2 LEU 72 -7.389 -7.837 -2.112 458 H ALA 73 H ALA 73 -12.263 -10.296 -2.571 459 HA ALA 73 HA ALA 73 -12.323 -11.686 -0.118 460 HB1 ALA 73 1HB ALA 73 -14.766 -11.768 -0.447 461 HB2 ALA 73 2HB ALA 73 -14.100 -10.191 -0.868 462 HB3 ALA 73 3HB ALA 73 -14.558 -11.331 -2.158 463 H ALA 74 H ALA 74 -12.703 -12.980 -3.420 464 HA ALA 74 HA ALA 74 -13.548 -15.605 -2.641 465 HB1 ALA 74 1HB ALA 74 -12.025 -14.723 -5.140 466 HB2 ALA 74 2HB ALA 74 -12.961 -16.224 -4.913 467 HB3 ALA 74 3HB ALA 74 -13.797 -14.666 -4.934 468 H ASP 75 H ASP 75 -10.281 -14.197 -3.340 469 HA ASP 75 HA ASP 75 -8.867 -16.629 -2.915 470 HB3 ASP 75 2HB ASP 75 -7.581 -13.963 -2.309 471 H LEU 76 H LEU 76 -9.633 -13.884 -0.847 472 HA LEU 76 HA LEU 76 -8.186 -14.873 1.462 473 HB3 LEU 76 2HB LEU 76 -9.955 -12.413 1.324 474 HG LEU 76 HG LEU 76 -8.631 -12.761 3.457 475 HD11 LEU 76 1HD1 LEU 76 -6.321 -12.659 1.466 476 HD12 LEU 76 2HD1 LEU 76 -6.662 -13.947 2.652 477 HD13 LEU 76 3HD1 LEU 76 -6.124 -12.351 3.185 478 HD21 LEU 76 3HD2 LEU 76 -7.543 -10.471 1.760 479 HD22 LEU 76 1HD2 LEU 76 -7.654 -10.544 3.535 480 HD23 LEU 76 2HD2 LEU 76 -9.128 -10.468 2.558 481 H GLU 77 H GLU 77 -10.955 -15.909 0.422 482 HA GLU 77 HA GLU 77 -13.032 -15.651 2.160 483 HB3 GLU 77 2HB GLU 77 -11.939 -18.131 0.793 484 HG3 GLU 77 2HG GLU 77 -14.836 -17.512 1.465 485 H GLY 78 H GLY 78 -12.927 -15.647 4.351 486 HA2 GLY 78 1HA GLY 78 -13.176 -16.990 6.291 487 HA3 GLY 78 2HA GLY 78 -11.818 -17.998 5.777 488 H LYS 79 H LYS 79 -10.796 -14.891 5.076 489 HA LYS 79 HA LYS 79 -9.761 -14.455 7.859 490 HB3 LYS 79 2HB LYS 79 -7.586 -13.927 7.021 491 HG3 LYS 79 2HG LYS 79 -8.642 -16.485 6.899 492 HD3 LYS 79 2HD LYS 79 -8.412 -16.044 4.260 493 HE3 LYS 79 2HE LYS 79 -5.632 -16.566 5.292 494 HZ1 LYS 79 3HZ LYS 79 -6.254 -18.616 4.198 495 HZ2 LYS 79 1HZ LYS 79 -5.110 -17.804 3.324 496 HZ3 LYS 79 2HZ LYS 79 -6.693 -17.815 2.842 497 H ALA 80 H ALA 80 -11.736 -13.136 5.653 498 HA ALA 80 HA ALA 80 -11.380 -10.474 6.699 499 HB1 ALA 80 1HB ALA 80 -11.219 -10.973 3.695 500 HB2 ALA 80 2HB ALA 80 -11.304 -9.387 4.497 501 HB3 ALA 80 3HB ALA 80 -9.881 -10.411 4.742 502 H ASP 81 H ASP 81 -13.198 -9.103 5.488 503 HA ASP 81 HA ASP 81 -15.581 -10.613 4.831 504 HB3 ASP 81 2HB ASP 81 -16.884 -8.974 6.364 505 H GLU 82 H GLU 82 -17.241 -8.961 4.319 506 HA GLU 82 HA GLU 82 -16.240 -7.300 2.178 507 HB3 GLU 82 2HB GLU 82 -18.615 -6.789 1.793 508 HG3 GLU 82 2HG GLU 82 -18.227 -9.711 2.627 509 H GLU 83 H GLU 83 -17.891 -6.577 5.305 510 HA GLU 83 HA GLU 83 -17.511 -3.741 5.107 511 HB3 GLU 83 2HB GLU 83 -18.151 -3.743 7.518 512 HG3 GLU 83 2HG GLU 83 -19.841 -5.308 5.527 513 H THR 84 H THR 84 -15.488 -6.386 6.273 514 HA THR 84 HA THR 84 -13.567 -4.735 7.671 515 HB THR 84 HB THR 84 -13.565 -7.567 6.629 516 HG1 THR 84 1HG THR 84 -14.582 -7.373 8.605 517 HG21 THR 84 3HG2 THR 84 -11.207 -6.839 6.406 518 HG22 THR 84 1HG2 THR 84 -11.424 -7.969 7.747 519 HG23 THR 84 2HG2 THR 84 -11.255 -6.239 8.085 520 H ILE 85 H ILE 85 -13.507 -6.192 4.303 521 HA ILE 85 HA ILE 85 -10.953 -5.117 3.695 522 HB ILE 85 HB ILE 85 -13.235 -5.928 1.856 523 HG13 ILE 85 2HG1 ILE 85 -11.886 -7.576 3.478 524 HG21 ILE 85 1HG2 ILE 85 -10.334 -5.221 1.181 525 HG22 ILE 85 2HG2 ILE 85 -11.425 -6.069 0.072 526 HG23 ILE 85 3HG2 ILE 85 -11.779 -4.418 0.570 527 HD11 ILE 85 3HD1 ILE 85 -13.536 -8.399 1.904 528 HD12 ILE 85 1HD1 ILE 85 -12.397 -8.220 0.560 529 HD13 ILE 85 2HD1 ILE 85 -12.090 -9.405 1.847 530 H ARG 86 H ARG 86 -14.239 -3.894 2.818 531 HA ARG 86 HA ARG 86 -13.337 -1.624 1.461 532 HB3 ARG 86 2HB ARG 86 -15.675 -2.476 1.480 533 HG3 ARG 86 2HG ARG 86 -15.623 -2.218 4.229 534 HD3 ARG 86 2HD ARG 86 -17.661 -0.312 3.183 535 HE ARG 86 HE ARG 86 -17.065 -1.278 5.755 536 HH11 ARG 86 1HH1 ARG 86 -17.367 1.843 4.140 537 HH12 ARG 86 2HH1 ARG 86 -17.985 2.710 5.506 538 HH21 ARG 86 1HH2 ARG 86 -17.858 -0.168 7.633 539 HH22 ARG 86 2HH2 ARG 86 -18.400 1.474 7.526 540 H ALA 87 H ALA 87 -13.761 -2.162 4.922 541 HA ALA 87 HA ALA 87 -13.402 0.577 5.589 542 HB1 ALA 87 1HB ALA 87 -13.123 -0.222 7.935 543 HB2 ALA 87 2HB ALA 87 -14.571 -0.880 7.158 544 HB3 ALA 87 3HB ALA 87 -13.134 -1.891 7.353 545 H LYS 88 H LYS 88 -11.247 -2.299 5.550 546 HA LYS 88 HA LYS 88 -8.934 -1.236 6.665 547 HB3 LYS 88 2HB LYS 88 -7.918 -2.838 4.657 548 HG3 LYS 88 2HG LYS 88 -7.438 -2.975 7.133 549 HD3 LYS 88 2HD LYS 88 -8.798 -5.134 7.981 550 HE3 LYS 88 2HE LYS 88 -10.581 -3.689 9.090 551 HZ1 LYS 88 3HZ LYS 88 -9.089 -2.728 10.592 552 HZ2 LYS 88 1HZ LYS 88 -7.819 -2.755 9.534 553 HZ3 LYS 88 2HZ LYS 88 -8.438 -4.161 10.116 554 H MET 89 H MET 89 -9.718 -1.361 3.137 555 HA MET 89 HA MET 89 -7.270 -0.193 2.545 556 HB3 MET 89 2HB MET 89 -8.529 -1.557 1.031 557 HG3 MET 89 2HG MET 89 -9.774 0.405 -0.612 558 HE1 MET 89 3HE MET 89 -9.139 -2.191 -1.635 559 HE2 MET 89 1HE MET 89 -10.653 -3.006 -2.096 560 HE3 MET 89 2HE MET 89 -10.435 -1.272 -2.451 561 H VAL 90 H VAL 90 -10.325 1.457 3.092 562 HA VAL 90 HA VAL 90 -9.360 4.111 2.560 563 HB VAL 90 HB VAL 90 -11.691 3.172 4.291 564 HG11 VAL 90 1HG1 VAL 90 -11.160 5.575 4.612 565 HG12 VAL 90 2HG1 VAL 90 -11.206 5.823 2.852 566 HG13 VAL 90 3HG1 VAL 90 -12.687 5.378 3.727 567 HG21 VAL 90 3HG2 VAL 90 -11.883 2.241 1.976 568 HG22 VAL 90 1HG2 VAL 90 -13.114 3.425 2.331 569 HG23 VAL 90 2HG2 VAL 90 -11.733 3.883 1.325 570 H GLU 91 H GLU 91 -9.733 2.184 5.623 571 HA GLU 91 HA GLU 91 -9.213 4.414 7.315 572 HB3 GLU 91 2HB GLU 91 -8.819 1.501 8.072 573 HG3 GLU 91 2HG GLU 91 -10.154 3.750 9.648 574 H LEU 92 H LEU 92 -7.076 2.171 5.712 575 HA LEU 92 HA LEU 92 -4.723 2.545 7.246 576 HB3 LEU 92 2HB LEU 92 -3.641 1.734 5.049 577 HG LEU 92 HG LEU 92 -5.856 0.165 6.405 578 HD11 LEU 92 1HD1 LEU 92 -5.635 -0.573 4.026 579 HD12 LEU 92 2HD1 LEU 92 -5.170 -1.809 5.201 580 HD13 LEU 92 3HD1 LEU 92 -3.915 -0.913 4.323 581 HD21 LEU 92 3HD2 LEU 92 -3.915 0.511 7.798 582 HD22 LEU 92 1HD2 LEU 92 -2.817 -0.036 6.494 583 HD23 LEU 92 2HD2 LEU 92 -3.951 -1.169 7.254 584 H ARG 93 H ARG 93 -6.269 5.043 5.984 585 HA ARG 93 HA ARG 93 -4.820 6.493 4.261 586 HB3 ARG 93 2HB ARG 93 -6.323 7.505 6.685 587 HG3 ARG 93 2HG ARG 93 -6.815 9.289 4.652 588 HD3 ARG 93 2HD ARG 93 -4.591 9.818 6.643 589 HE ARG 93 HE ARG 93 -6.024 11.425 4.796 590 HH11 ARG 93 1HH1 ARG 93 -5.328 11.654 8.304 591 HH12 ARG 93 2HH1 ARG 93 -5.319 13.383 8.285 592 HH21 ARG 93 1HH2 ARG 93 -6.040 13.684 4.818 593 HH22 ARG 93 2HH2 ARG 93 -5.774 14.548 6.258 594 H ALA 94 H ALA 94 -4.325 6.951 7.842 595 HA ALA 94 HA ALA 94 -1.756 8.298 7.223 596 HB1 ALA 94 1HB ALA 94 -3.160 9.327 8.894 597 HB2 ALA 94 2HB ALA 94 -3.210 7.813 9.828 598 HB3 ALA 94 3HB ALA 94 -1.684 8.706 9.659 599 H THR 95 H THR 95 -2.899 5.061 8.227 600 HA THR 95 HA THR 95 -0.551 4.091 9.366 601 HB THR 95 HB THR 95 -2.363 2.528 7.491 602 HG1 THR 95 1HG THR 95 -3.530 2.325 9.687 603 HG21 THR 95 3HG2 THR 95 -0.508 1.250 8.423 604 HG22 THR 95 1HG2 THR 95 -2.006 0.742 9.218 605 HG23 THR 95 2HG2 THR 95 -0.883 1.832 10.060 606 H ALA 96 H ALA 96 -1.380 4.701 6.004 607 HA ALA 96 HA ALA 96 0.769 3.618 4.649 608 HB1 ALA 96 1HB ALA 96 -1.200 4.717 3.648 609 HB2 ALA 96 2HB ALA 96 -0.670 6.296 4.301 610 HB3 ALA 96 3HB ALA 96 0.246 5.537 3.038 611 H ARG 97 H ARG 97 0.846 6.554 6.700 612 HA ARG 97 HA ARG 97 3.595 7.050 5.727 613 HB3 ARG 97 2HB ARG 97 1.900 8.935 5.846 614 HG3 ARG 97 2HG ARG 97 2.867 9.296 8.696 615 HD3 ARG 97 2HD ARG 97 0.508 10.348 7.066 616 HE ARG 97 HE ARG 97 0.968 10.412 9.937 617 HH11 ARG 97 1HH1 ARG 97 -0.323 12.421 7.281 618 HH12 ARG 97 2HH1 ARG 97 -1.170 13.468 8.367 619 HH21 ARG 97 1HH2 ARG 97 -0.507 11.524 11.267 620 HH22 ARG 97 2HH2 ARG 97 -1.477 12.802 10.633 621 H GLU 98 H GLU 98 1.912 5.644 8.504 622 HA GLU 98 HA GLU 98 4.017 5.687 10.357 623 HB3 GLU 98 2HB GLU 98 2.952 3.409 10.867 624 HG3 GLU 98 2HG GLU 98 0.956 5.635 11.196 625 H GLN 99 H GLN 99 3.099 3.107 7.921 626 HA GLN 99 HA GLN 99 5.154 1.440 8.533 627 HB3 GLN 99 2HB GLN 99 4.764 0.514 6.195 628 HG3 GLN 99 2HG GLN 99 2.381 1.211 7.968 629 HE21 GLN 99 1HE2 GLN 99 1.240 -1.201 8.064 630 HE22 GLN 99 2HE2 GLN 99 0.575 -1.607 6.497 631 H ILE 100 H ILE 100 5.637 4.374 6.723 632 HA ILE 100 HA ILE 100 8.154 3.388 5.469 633 HB ILE 100 HB ILE 100 6.672 5.989 5.502 634 HG13 ILE 100 2HG1 ILE 100 5.869 5.518 3.326 635 HG21 ILE 100 1HG2 ILE 100 9.031 6.523 5.094 636 HG22 ILE 100 2HG2 ILE 100 9.141 5.293 3.830 637 HG23 ILE 100 3HG2 ILE 100 8.117 6.725 3.596 638 HD11 ILE 100 3HD1 ILE 100 7.802 3.214 3.109 639 HD12 ILE 100 1HD1 ILE 100 6.403 3.433 2.038 640 HD13 ILE 100 2HD1 ILE 100 7.676 4.648 2.065 641 H ILE 101 H ILE 101 7.024 5.503 8.160 642 HA ILE 101 HA ILE 101 9.723 6.292 8.954 643 HB ILE 101 HB ILE 101 6.972 6.293 10.314 644 HG13 ILE 101 2HG1 ILE 101 7.313 7.860 8.368 645 HG21 ILE 101 1HG2 ILE 101 7.932 7.705 12.101 646 HG22 ILE 101 2HG2 ILE 101 8.694 6.127 12.077 647 HG23 ILE 101 3HG2 ILE 101 9.551 7.521 11.386 648 HD11 ILE 101 3HD1 ILE 101 7.089 9.407 10.975 649 HD12 ILE 101 1HD1 ILE 101 6.585 9.923 9.366 650 HD13 ILE 101 2HD1 ILE 101 5.746 8.567 10.151 651 H SER 102 H SER 102 7.555 3.646 9.342 652 HA SER 102 HA SER 102 8.901 2.315 11.544 653 HB3 SER 102 2HB SER 102 7.189 0.962 9.438 654 HG SER 102 HG SER 102 6.592 -0.272 10.962 655 H GLU 103 H GLU 103 9.004 2.047 7.950 656 HA GLU 103 HA GLU 103 11.364 0.235 8.084 657 HB3 GLU 103 2HB GLU 103 10.331 -0.812 6.058 658 HG3 GLU 103 2HG GLU 103 8.809 -0.895 8.692 659 H ILE 104 H ILE 104 12.301 2.427 8.085 660 HA ILE 104 HA ILE 104 12.174 4.268 6.021 661 HB ILE 104 HB ILE 104 14.484 3.609 7.888 662 HG13 ILE 104 2HG1 ILE 104 12.274 4.077 9.026 663 HG21 ILE 104 1HG2 ILE 104 15.274 5.050 6.096 664 HG22 ILE 104 2HG2 ILE 104 13.862 6.109 6.266 665 HG23 ILE 104 3HG2 ILE 104 15.092 6.053 7.528 666 HD11 ILE 104 3HD1 ILE 104 12.944 5.818 10.529 667 HD12 ILE 104 1HD1 ILE 104 14.295 4.702 10.243 668 HD13 ILE 104 2HD1 ILE 104 14.273 6.319 9.494 Start of MODEL 12 1 H1 MET 1 H MET 1 6.372 6.408 -18.906 2 HA MET 1 HA MET 1 6.186 7.899 -20.815 3 HB3 MET 1 2HB MET 1 4.176 9.554 -19.296 4 HG3 MET 1 2HG MET 1 4.350 9.015 -22.279 5 HE1 MET 1 3HE MET 1 4.351 11.463 -23.673 6 HE2 MET 1 1HE MET 1 3.508 12.904 -23.077 7 HE3 MET 1 2HE MET 1 5.067 12.445 -22.376 8 H THR 2 H THR 2 6.271 10.745 -20.155 9 HA THR 2 HA THR 2 7.447 12.282 -19.063 10 HB THR 2 HB THR 2 6.928 10.444 -16.685 11 HG1 THR 2 1HG THR 2 4.943 11.165 -16.755 12 HG21 THR 2 3HG2 THR 2 6.424 12.601 -15.478 13 HG22 THR 2 1HG2 THR 2 7.211 13.472 -16.800 14 HG23 THR 2 2HG2 THR 2 8.127 12.343 -15.785 15 H THR 3 H THR 3 9.353 12.108 -16.951 16 HA THR 3 HA THR 3 11.472 10.293 -17.851 17 HB THR 3 HB THR 3 12.950 12.329 -16.889 18 HG1 THR 3 1HG THR 3 11.131 13.748 -16.570 19 HG21 THR 3 3HG2 THR 3 11.795 12.380 -19.709 20 HG22 THR 3 1HG2 THR 3 13.126 11.324 -19.176 21 HG23 THR 3 2HG2 THR 3 13.336 13.082 -19.181 22 H PHE 4 H PHE 4 13.105 10.253 -15.790 23 HA PHE 4 HA PHE 4 11.860 10.880 -13.286 24 HB3 PHE 4 2HB PHE 4 12.775 8.015 -13.487 25 HD1 PHE 4 2HD PHE 4 9.703 9.927 -12.403 26 HD2 PHE 4 1HD PHE 4 13.045 7.492 -11.167 27 HE1 PHE 4 2HE PHE 4 8.822 9.875 -10.088 28 HE2 PHE 4 1HE PHE 4 12.167 7.463 -8.860 29 HZ PHE 4 HZ PHE 4 10.054 8.658 -8.309 30 H ASP 5 H ASP 5 13.577 10.090 -11.515 31 HA ASP 5 HA ASP 5 16.278 10.902 -12.505 32 HB3 ASP 5 2HB ASP 5 16.499 11.800 -10.117 33 H ASP 6 H ASP 6 17.885 10.199 -10.485 34 HA ASP 6 HA ASP 6 16.845 8.011 -8.940 35 HB3 ASP 6 2HB ASP 6 19.411 7.417 -10.475 36 H ARG 7 H ARG 7 16.968 9.647 -7.381 37 HA ARG 7 HA ARG 7 19.682 10.712 -6.754 38 HB3 ARG 7 2HB ARG 7 17.824 12.306 -6.890 39 HG3 ARG 7 2HG ARG 7 16.699 10.788 -4.506 40 HD3 ARG 7 2HD ARG 7 14.778 12.406 -4.838 41 HE ARG 7 HE ARG 7 16.962 14.093 -3.961 42 HH11 ARG 7 1HH1 ARG 7 15.090 11.195 -2.989 43 HH12 ARG 7 2HH1 ARG 7 14.882 11.684 -1.366 44 HH21 ARG 7 1HH2 ARG 7 17.084 14.472 -1.701 45 HH22 ARG 7 2HH2 ARG 7 16.199 13.529 -0.542 46 H GLU 8 H GLU 8 20.535 10.574 -4.642 47 HA GLU 8 HA GLU 8 20.031 8.086 -3.206 48 HB3 GLU 8 2HB GLU 8 21.540 10.477 -2.208 49 HG3 GLU 8 2HG GLU 8 21.303 8.534 -0.621 50 H ARG 9 H ARG 9 19.320 8.083 -1.014 51 HA ARG 9 HA ARG 9 16.955 9.465 -0.442 52 HB3 ARG 9 2HB ARG 9 18.447 8.248 1.825 53 HG3 ARG 9 2HG ARG 9 16.026 7.273 0.316 54 HD3 ARG 9 2HD ARG 9 15.355 6.452 2.678 55 HE ARG 9 HE ARG 9 15.967 4.577 1.555 56 HH11 ARG 9 1HH1 ARG 9 18.960 6.008 2.895 57 HH12 ARG 9 2HH1 ARG 9 19.982 5.061 1.845 58 HH21 ARG 9 1HH2 ARG 9 17.374 3.207 0.423 59 HH22 ARG 9 2HH2 ARG 9 19.107 3.392 0.558 60 H ALA 10 H ALA 10 16.564 10.968 1.127 61 HA ALA 10 HA ALA 10 18.218 12.098 3.002 62 HB1 ALA 10 1HB ALA 10 18.068 13.906 0.551 63 HB2 ALA 10 2HB ALA 10 18.549 14.409 2.185 64 HB3 ALA 10 3HB ALA 10 19.525 13.243 1.301 65 H HIS 11 H HIS 11 16.228 11.698 4.093 66 HA HIS 11 HA HIS 11 14.142 13.773 3.683 67 HB3 HIS 11 2HB HIS 11 13.591 11.577 2.825 68 HD1 HIS 11 1HD HIS 11 11.467 9.718 4.467 69 HD2 HIS 11 2HD HIS 11 15.545 10.402 5.298 70 HE1 HIS 11 1HE HIS 11 12.312 7.664 5.704 71 H GLU 12 H GLU 12 16.492 13.307 5.805 72 HA GLU 12 HA GLU 12 15.297 13.160 8.378 73 HB3 GLU 12 2HB GLU 12 17.290 14.547 9.039 74 HG3 GLU 12 2HG GLU 12 17.622 12.062 7.360 75 H ALA 13 H ALA 13 13.873 14.475 9.308 76 HA ALA 13 HA ALA 13 12.279 15.963 9.605 77 HB1 ALA 13 1HB ALA 13 14.635 17.851 9.424 78 HB2 ALA 13 2HB ALA 13 13.093 18.174 10.250 79 HB3 ALA 13 3HB ALA 13 14.154 16.882 10.829 80 H LYS 14 H LYS 14 13.335 15.927 6.491 81 HA LYS 14 HA LYS 14 12.235 18.389 5.455 82 HB3 LYS 14 2HB LYS 14 12.351 16.636 3.311 83 HG3 LYS 14 2HG LYS 14 14.897 17.332 3.270 84 HD3 LYS 14 2HD LYS 14 12.839 19.528 2.929 85 HE3 LYS 14 2HE LYS 14 15.464 18.780 1.561 86 HZ1 LYS 14 3HZ LYS 14 13.406 19.952 0.264 87 HZ2 LYS 14 1HZ LYS 14 15.005 20.134 -0.117 88 HZ3 LYS 14 2HZ LYS 14 14.274 21.256 0.796 89 H PHE 15 H PHE 15 10.526 15.665 6.585 90 HA PHE 15 HA PHE 15 8.462 15.436 4.634 91 HB3 PHE 15 2HB PHE 15 7.211 15.017 7.056 92 HD1 PHE 15 2HD PHE 15 10.114 13.254 5.246 93 HD2 PHE 15 1HD PHE 15 6.006 13.139 6.654 94 HE1 PHE 15 2HE PHE 15 9.830 10.955 4.385 95 HE2 PHE 15 1HE PHE 15 5.770 10.840 5.799 96 HZ PHE 15 HZ PHE 15 7.667 9.740 4.683 97 H ALA 16 H ALA 16 8.932 17.739 7.261 98 HA ALA 16 HA ALA 16 6.398 19.055 7.156 99 HB1 ALA 16 1HB ALA 16 9.121 20.039 8.122 100 HB2 ALA 16 2HB ALA 16 7.541 20.681 8.589 101 HB3 ALA 16 3HB ALA 16 7.995 19.038 9.091 102 H HIS 17 H HIS 17 7.966 18.869 4.478 103 HA HIS 17 HA HIS 17 8.070 21.710 3.741 104 HB3 HIS 17 2HB HIS 17 10.604 19.986 3.733 105 HD1 HIS 17 1HD HIS 17 11.375 21.101 1.350 106 HD2 HIS 17 2HD HIS 17 10.359 23.647 4.551 107 HE1 HIS 17 1HE HIS 17 12.334 23.405 0.752 108 H ASP 18 H ASP 18 9.529 18.622 2.612 109 HA ASP 18 HA ASP 18 8.882 19.366 -0.172 110 HB3 ASP 18 2HB ASP 18 10.078 16.975 -0.410 111 H ALA 19 H ALA 19 7.515 18.202 -1.514 112 HA ALA 19 HA ALA 19 5.516 16.543 -0.176 113 HB1 ALA 19 1HB ALA 19 4.347 16.565 -2.255 114 HB2 ALA 19 2HB ALA 19 4.890 18.219 -1.889 115 HB3 ALA 19 3HB ALA 19 5.760 17.236 -3.097 116 H GLU 20 H GLU 20 7.901 16.057 -2.842 117 HA GLU 20 HA GLU 20 7.649 13.464 -3.522 118 HB3 GLU 20 2HB GLU 20 10.323 13.580 -3.409 119 HG3 GLU 20 2HG GLU 20 10.262 15.299 -5.354 120 H LEU 21 H LEU 21 9.313 14.567 -0.592 121 HA LEU 21 HA LEU 21 10.281 11.904 0.073 122 HB3 LEU 21 2HB LEU 21 11.095 13.009 2.143 123 HG LEU 21 HG LEU 21 11.597 14.527 -0.470 124 HD11 LEU 21 1HD1 LEU 21 13.735 15.220 0.661 125 HD12 LEU 21 2HD1 LEU 21 13.018 14.642 2.187 126 HD13 LEU 21 3HD1 LEU 21 12.263 15.955 1.261 127 HD21 LEU 21 3HD2 LEU 21 12.279 12.152 -0.624 128 HD22 LEU 21 1HD2 LEU 21 13.282 12.356 0.835 129 HD23 LEU 21 2HD2 LEU 21 13.640 13.263 -0.648 130 H ASN 22 H ASN 22 7.484 13.781 0.856 131 HA ASN 22 HA ASN 22 6.440 12.007 2.944 132 HB3 ASN 22 2HB ASN 22 4.706 13.979 1.499 133 HD21 ASN 22 1HD2 ASN 22 5.281 15.631 4.093 134 HD22 ASN 22 2HD2 ASN 22 4.260 14.847 5.270 135 H PHE 23 H PHE 23 6.205 12.542 -0.537 136 HA PHE 23 HA PHE 23 3.824 11.478 -1.235 137 HB3 PHE 23 2HB PHE 23 6.348 11.030 -2.878 138 HD1 PHE 23 1HD PHE 23 2.795 10.560 -2.947 139 HD2 PHE 23 2HD PHE 23 6.083 12.221 -5.224 140 HE1 PHE 23 1HE PHE 23 1.412 10.554 -4.969 141 HE2 PHE 23 2HE PHE 23 4.671 12.193 -7.253 142 HZ PHE 23 HZ PHE 23 2.315 11.426 -7.122 143 H LYS 24 H LYS 24 6.891 9.708 -1.055 144 HA LYS 24 HA LYS 24 5.968 7.161 -1.603 145 HB3 LYS 24 2HB LYS 24 8.260 7.459 -1.445 146 HG3 LYS 24 2HG LYS 24 8.190 7.917 1.539 147 HD3 LYS 24 2HD LYS 24 10.234 7.051 -0.171 148 HE3 LYS 24 2HE LYS 24 11.892 8.784 -0.192 149 HZ1 LYS 24 3HZ LYS 24 10.275 8.789 -2.144 150 HZ2 LYS 24 1HZ LYS 24 11.179 10.111 -1.934 151 HZ3 LYS 24 2HZ LYS 24 9.614 10.152 -1.501 152 H ALA 25 H ALA 25 5.736 8.859 1.463 153 HA ALA 25 HA ALA 25 4.851 6.638 3.064 154 HB1 ALA 25 1HB ALA 25 4.150 9.560 3.608 155 HB2 ALA 25 2HB ALA 25 4.428 8.259 4.760 156 HB3 ALA 25 3HB ALA 25 5.785 8.947 3.861 157 H GLU 26 H GLU 26 3.045 9.355 1.493 158 HA GLU 26 HA GLU 26 0.532 8.223 2.227 159 HB3 GLU 26 2HB GLU 26 0.709 10.606 1.792 160 HG3 GLU 26 2HG GLU 26 1.526 9.708 -0.966 161 H ALA 27 H ALA 27 2.715 7.219 -0.168 162 HA ALA 27 HA ALA 27 0.596 5.701 -1.610 163 HB1 ALA 27 1HB ALA 27 1.986 5.860 -3.575 164 HB2 ALA 27 2HB ALA 27 1.749 7.484 -2.896 165 HB3 ALA 27 3HB ALA 27 3.287 6.644 -2.649 166 H ARG 28 H ARG 28 1.937 4.836 0.898 167 HA ARG 28 HA ARG 28 3.169 2.305 -0.129 168 HB3 ARG 28 2HB ARG 28 4.119 2.544 2.496 169 HG3 ARG 28 2HG ARG 28 6.055 3.798 0.879 170 HD3 ARG 28 2HD ARG 28 6.608 1.105 0.509 171 HE ARG 28 HE ARG 28 7.860 3.016 1.932 172 HH11 ARG 28 1HH1 ARG 28 7.247 -0.435 2.564 173 HH12 ARG 28 2HH1 ARG 28 8.145 -0.383 4.082 174 HH21 ARG 28 1HH2 ARG 28 9.383 2.843 3.750 175 HH22 ARG 28 2HH2 ARG 28 9.434 1.361 4.622 176 H ARG 29 H ARG 29 0.257 2.954 0.531 177 HA ARG 29 HA ARG 29 -0.234 1.286 2.900 178 HB3 ARG 29 2HB ARG 29 -2.616 1.339 2.282 179 HG3 ARG 29 2HG ARG 29 -1.327 4.095 2.100 180 HD3 ARG 29 2HD ARG 29 -3.440 4.703 3.423 181 HE ARG 29 HE ARG 29 -4.618 4.061 0.891 182 HH11 ARG 29 1HH1 ARG 29 -2.196 6.154 2.443 183 HH12 ARG 29 2HH1 ARG 29 -1.985 7.117 1.014 184 HH21 ARG 29 1HH2 ARG 29 -4.683 5.814 -0.782 185 HH22 ARG 29 2HH2 ARG 29 -3.521 7.084 -0.633 186 H ASN 30 H ASN 30 -0.516 0.697 -0.658 187 HA ASN 30 HA ASN 30 -1.980 -1.687 -0.334 188 HB3 ASN 30 2HB ASN 30 -1.265 -2.184 -2.708 189 HD21 ASN 30 1HD2 ASN 30 -3.665 -1.831 -2.124 190 HD22 ASN 30 2HD2 ASN 30 -4.352 -0.229 -2.401 191 H ARG 31 H ARG 31 1.559 -1.407 -0.273 192 HA ARG 31 HA ARG 31 2.181 -4.136 -0.470 193 HB3 ARG 31 2HB ARG 31 3.840 -2.416 -0.491 194 HG3 ARG 31 2HG ARG 31 2.831 -0.963 1.320 195 HD3 ARG 31 2HD ARG 31 2.870 -2.381 3.322 196 HE ARG 31 HE ARG 31 5.095 -3.594 2.563 197 HH11 ARG 31 1HH1 ARG 31 4.985 -1.072 5.049 198 HH12 ARG 31 2HH1 ARG 31 6.400 -1.600 5.853 199 HH21 ARG 31 1HH2 ARG 31 7.128 -4.045 3.337 200 HH22 ARG 31 2HH2 ARG 31 7.842 -3.236 4.678 201 H LEU 32 H LEU 32 0.733 -2.445 2.288 202 HA LEU 32 HA LEU 32 1.256 -4.583 4.204 203 HB3 LEU 32 2HB LEU 32 -0.659 -3.246 5.428 204 HG LEU 32 HG LEU 32 0.523 -1.656 6.398 205 HD11 LEU 32 1HD1 LEU 32 2.212 -3.003 6.934 206 HD12 LEU 32 2HD1 LEU 32 3.125 -1.814 5.991 207 HD13 LEU 32 3HD1 LEU 32 2.696 -3.357 5.259 208 HD21 LEU 32 3HD2 LEU 32 1.480 -0.849 3.675 209 HD22 LEU 32 1HD2 LEU 32 2.044 -0.068 5.167 210 HD23 LEU 32 2HD2 LEU 32 0.320 -0.094 4.738 211 H LEU 33 H LEU 33 -1.365 -3.656 1.988 212 HA LEU 33 HA LEU 33 -3.255 -5.656 2.843 213 HB3 LEU 33 2HB LEU 33 -4.024 -5.478 0.365 214 HG LEU 33 HG LEU 33 -4.973 -3.272 0.445 215 HD11 LEU 33 1HD1 LEU 33 -6.191 -4.952 1.686 216 HD12 LEU 33 2HD1 LEU 33 -6.259 -3.434 2.587 217 HD13 LEU 33 3HD1 LEU 33 -5.185 -4.712 3.130 218 HD21 LEU 33 3HD2 LEU 33 -4.501 -1.613 2.059 219 HD22 LEU 33 1HD2 LEU 33 -2.934 -2.172 1.503 220 HD23 LEU 33 2HD2 LEU 33 -3.568 -2.759 3.052 221 H GLY 34 H GLY 34 -0.397 -5.646 0.669 222 HA2 GLY 34 1HA GLY 34 -0.654 -8.365 -0.158 223 HA3 GLY 34 2HA GLY 34 0.810 -7.370 -0.181 224 H GLU 35 H GLU 35 0.271 -7.057 3.024 225 HA GLU 35 HA GLU 35 1.490 -9.654 3.807 226 HB3 GLU 35 2HB GLU 35 1.722 -8.605 6.003 227 HG3 GLU 35 2HG GLU 35 2.570 -6.733 3.769 228 H TRP 36 H TRP 36 -1.623 -8.088 3.678 229 HA TRP 36 HA TRP 36 -2.857 -9.433 5.915 230 HB3 TRP 36 2HB TRP 36 -3.828 -7.697 3.649 231 HD1 TRP 36 HD TRP 36 -5.427 -9.524 6.667 232 HE1 TRP 36 1HE TRP 36 -7.900 -9.901 6.154 233 HE3 TRP 36 3HE TRP 36 -5.667 -7.259 2.075 234 HZ2 TRP 36 2HZ TRP 36 -9.738 -9.338 4.019 235 HZ3 TRP 36 3HZ TRP 36 -7.821 -7.208 0.829 236 HH2 TRP 36 HH TRP 36 -9.868 -8.238 1.806 237 H ALA 37 H ALA 37 -3.898 -9.587 2.506 238 HA ALA 37 HA ALA 37 -5.612 -11.768 2.689 239 HB1 ALA 37 1HB ALA 37 -5.425 -10.115 0.781 240 HB2 ALA 37 2HB ALA 37 -3.894 -10.883 0.287 241 HB3 ALA 37 3HB ALA 37 -5.398 -11.799 0.209 242 H ALA 38 H ALA 38 -2.138 -11.811 2.107 243 HA ALA 38 HA ALA 38 -1.502 -14.349 1.346 244 HB1 ALA 38 1HB ALA 38 -0.301 -12.607 3.558 245 HB2 ALA 38 2HB ALA 38 0.476 -14.043 2.878 246 HB3 ALA 38 3HB ALA 38 0.169 -12.643 1.851 247 H GLY 39 H GLY 39 -2.253 -13.376 4.749 248 HA2 GLY 39 1HA GLY 39 -1.958 -15.879 5.998 249 HA3 GLY 39 2HA GLY 39 -3.027 -14.568 6.535 250 H LEU 40 H LEU 40 -4.845 -14.371 4.563 251 HA LEU 40 HA LEU 40 -6.728 -16.349 5.110 252 HB3 LEU 40 2HB LEU 40 -8.039 -15.233 3.323 253 HG LEU 40 HG LEU 40 -8.115 -14.083 5.425 254 HD11 LEU 40 1HD1 LEU 40 -6.777 -12.034 5.882 255 HD12 LEU 40 2HD1 LEU 40 -5.628 -12.617 4.666 256 HD13 LEU 40 3HD1 LEU 40 -5.987 -13.576 6.132 257 HD21 LEU 40 3HD2 LEU 40 -9.237 -13.078 3.458 258 HD22 LEU 40 1HD2 LEU 40 -7.826 -12.007 3.248 259 HD23 LEU 40 2HD2 LEU 40 -8.826 -11.910 4.704 260 H LEU 41 H LEU 41 -4.687 -15.767 2.205 261 HA LEU 41 HA LEU 41 -5.546 -18.028 0.698 262 HB3 LEU 41 2HB LEU 41 -3.132 -17.576 -0.328 263 HG LEU 41 HG LEU 41 -5.430 -17.060 -1.147 264 HD11 LEU 41 1HD1 LEU 41 -6.159 -14.756 -1.389 265 HD12 LEU 41 2HD1 LEU 41 -4.810 -14.206 -0.380 266 HD13 LEU 41 3HD1 LEU 41 -6.077 -15.223 0.324 267 HD21 LEU 41 3HD2 LEU 41 -3.309 -16.752 -2.528 268 HD22 LEU 41 1HD2 LEU 41 -3.417 -15.009 -2.126 269 HD23 LEU 41 2HD2 LEU 41 -4.693 -15.791 -3.057 270 H GLY 42 H GLY 42 -3.544 -17.811 3.392 271 HA2 GLY 42 1HA GLY 42 -3.137 -19.788 4.737 272 HA3 GLY 42 2HA GLY 42 -2.864 -20.717 3.245 273 H LYS 43 H LYS 43 -1.344 -17.715 2.870 274 HA LYS 43 HA LYS 43 1.302 -18.921 3.100 275 HB3 LYS 43 2HB LYS 43 2.039 -16.740 2.260 276 HG3 LYS 43 2HG LYS 43 -0.405 -17.432 0.602 277 HD3 LYS 43 2HD LYS 43 2.491 -16.649 0.024 278 HE3 LYS 43 2HE LYS 43 1.837 -16.754 -2.351 279 HZ1 LYS 43 3HZ LYS 43 1.297 -19.380 -1.114 280 HZ2 LYS 43 1HZ LYS 43 2.800 -18.732 -1.176 281 HZ3 LYS 43 2HZ LYS 43 1.989 -19.102 -2.576 282 H THR 44 H THR 44 2.763 -18.339 4.600 283 HA THR 44 HA THR 44 2.170 -16.261 6.617 284 HB THR 44 HB THR 44 2.999 -18.024 8.332 285 HG1 THR 44 1HG THR 44 3.568 -19.646 6.881 286 HG21 THR 44 3HG2 THR 44 0.672 -17.078 8.186 287 HG22 THR 44 1HG2 THR 44 0.793 -18.697 8.886 288 HG23 THR 44 2HG2 THR 44 0.227 -18.493 7.211 289 H GLY 45 H GLY 45 4.124 -16.110 8.110 290 HA2 GLY 45 1HA GLY 45 6.313 -15.696 8.443 291 HA3 GLY 45 2HA GLY 45 6.596 -17.205 7.580 292 H ASP 46 H ASP 46 7.874 -16.977 5.903 293 HA ASP 46 HA ASP 46 8.494 -14.337 4.756 294 HB3 ASP 46 2HB ASP 46 9.564 -17.020 3.855 295 H ASP 47 H ASP 47 6.388 -17.037 3.886 296 HA ASP 47 HA ASP 47 6.502 -16.601 1.014 297 HB3 ASP 47 2HB ASP 47 4.130 -17.856 2.188 298 H ALA 48 H ALA 48 4.428 -15.651 3.646 299 HA ALA 48 HA ALA 48 2.553 -13.955 2.142 300 HB1 ALA 48 1HB ALA 48 2.178 -12.962 4.437 301 HB2 ALA 48 2HB ALA 48 2.042 -14.737 4.452 302 HB3 ALA 48 3HB ALA 48 3.514 -13.952 5.056 303 H ARG 49 H ARG 49 5.631 -13.338 4.020 304 HA ARG 49 HA ARG 49 5.775 -10.644 3.432 305 HB3 ARG 49 2HB ARG 49 8.351 -12.160 3.469 306 HG3 ARG 49 2HG ARG 49 7.376 -10.341 5.644 307 HD3 ARG 49 2HD ARG 49 9.952 -10.854 4.151 308 HE ARG 49 HE ARG 49 10.256 -8.668 3.964 309 HH11 ARG 49 1HH1 ARG 49 9.263 -9.180 7.350 310 HH12 ARG 49 2HH1 ARG 49 9.417 -7.486 7.727 311 HH21 ARG 49 1HH2 ARG 49 10.537 -6.540 4.528 312 HH22 ARG 49 2HH2 ARG 49 10.414 -5.983 6.151 313 H ALA 50 H ALA 50 6.790 -13.349 1.338 314 HA ALA 50 HA ALA 50 8.072 -11.730 -0.665 315 HB1 ALA 50 1HB ALA 50 8.490 -14.164 -0.409 316 HB2 ALA 50 2HB ALA 50 6.811 -14.511 -0.874 317 HB3 ALA 50 3HB ALA 50 7.925 -13.762 -2.038 318 H TYR 51 H TYR 51 4.816 -13.239 -0.447 319 HA TYR 51 HA TYR 51 3.670 -12.149 -2.779 320 HB3 TYR 51 2HB TYR 51 2.448 -12.830 -0.073 321 HD1 TYR 51 1HD TYR 51 1.580 -13.794 -3.573 322 HD2 TYR 51 2HD TYR 51 0.357 -11.629 -0.036 323 HE1 TYR 51 1HE TYR 51 -0.744 -13.696 -4.419 324 HE2 TYR 51 2HE TYR 51 -1.921 -11.660 -0.782 325 HH TYR 51 HH TYR 51 -3.467 -12.301 -2.538 326 H ALA 52 H ALA 52 4.119 -10.696 0.416 327 HA ALA 52 HA ALA 52 2.591 -8.361 0.003 328 HB1 ALA 52 1HB ALA 52 5.055 -8.706 1.747 329 HB2 ALA 52 2HB ALA 52 3.710 -7.550 1.960 330 HB3 ALA 52 3HB ALA 52 3.409 -9.290 2.167 331 H LEU 53 H LEU 53 5.185 -9.192 -1.830 332 HA LEU 53 HA LEU 53 6.069 -6.386 -2.259 333 HB3 LEU 53 2HB LEU 53 8.070 -7.391 -3.267 334 HG LEU 53 HG LEU 53 7.313 -8.349 -0.464 335 HD11 LEU 53 1HD1 LEU 53 9.478 -9.043 0.005 336 HD12 LEU 53 2HD1 LEU 53 10.102 -8.499 -1.590 337 HD13 LEU 53 3HD1 LEU 53 8.991 -9.876 -1.458 338 HD21 LEU 53 3HD2 LEU 53 9.128 -6.120 -1.457 339 HD22 LEU 53 1HD2 LEU 53 8.835 -6.556 0.247 340 HD23 LEU 53 2HD2 LEU 53 7.515 -5.944 -0.733 341 H THR 54 H THR 54 3.787 -8.535 -3.453 342 HA THR 54 HA THR 54 4.161 -7.588 -6.238 343 HB THR 54 HB THR 54 3.493 -9.830 -6.902 344 HG1 THR 54 1HG THR 54 2.550 -11.040 -5.500 345 HG21 THR 54 3HG2 THR 54 5.931 -9.242 -6.385 346 HG22 THR 54 1HG2 THR 54 5.541 -10.965 -6.305 347 HG23 THR 54 2HG2 THR 54 5.713 -10.040 -4.814 348 H VAL 55 H VAL 55 2.414 -6.564 -3.978 349 HA VAL 55 HA VAL 55 -0.071 -6.399 -5.613 350 HB VAL 55 HB VAL 55 -0.177 -6.556 -2.583 351 HG11 VAL 55 1HG1 VAL 55 -2.338 -7.038 -4.666 352 HG12 VAL 55 2HG1 VAL 55 -2.543 -6.878 -2.912 353 HG13 VAL 55 3HG1 VAL 55 -2.065 -5.471 -3.891 354 HG21 VAL 55 3HG2 VAL 55 -1.090 -8.848 -2.787 355 HG22 VAL 55 1HG2 VAL 55 -0.631 -8.872 -4.504 356 HG23 VAL 55 2HG2 VAL 55 0.610 -8.764 -3.239 357 H VAL 56 H VAL 56 0.297 -4.276 -6.389 358 HA VAL 56 HA VAL 56 0.027 -2.181 -4.358 359 HB VAL 56 HB VAL 56 2.347 -2.266 -4.491 360 HG11 VAL 56 1HG1 VAL 56 3.661 -1.978 -6.533 361 HG12 VAL 56 2HG1 VAL 56 2.679 -3.457 -6.587 362 HG13 VAL 56 3HG1 VAL 56 2.164 -2.024 -7.497 363 HG21 VAL 56 3HG2 VAL 56 1.473 0.103 -6.157 364 HG22 VAL 56 1HG2 VAL 56 1.343 -0.036 -4.390 365 HG23 VAL 56 2HG2 VAL 56 2.937 -0.043 -5.162 366 H THR 57 H THR 57 -1.518 -0.647 -4.986 367 HA THR 57 HA THR 57 -1.873 0.279 -7.600 368 HB THR 57 HB THR 57 -2.756 -1.821 -8.213 369 HG1 THR 57 1HG THR 57 -4.130 0.274 -8.516 370 HG21 THR 57 3HG2 THR 57 -4.696 -1.798 -5.883 371 HG22 THR 57 1HG2 THR 57 -3.286 -2.867 -6.061 372 HG23 THR 57 2HG2 THR 57 -4.625 -2.988 -7.195 373 H SER 58 H SER 58 -1.729 2.199 -6.513 374 HA SER 58 HA SER 58 -3.240 2.751 -4.060 375 HB3 SER 58 2HB SER 58 -1.303 4.553 -5.552 376 HG SER 58 HG SER 58 -1.952 5.556 -3.785 377 H ASP 59 H ASP 59 -5.086 2.263 -5.688 378 HA ASP 59 HA ASP 59 -6.054 4.631 -7.232 379 HB3 ASP 59 2HB ASP 59 -6.656 2.997 -8.949 380 H PHE 60 H PHE 60 -7.127 4.257 -4.592 381 HA PHE 60 HA PHE 60 -9.708 2.885 -5.080 382 HB3 PHE 60 2HB PHE 60 -8.116 2.069 -2.649 383 HD1 PHE 60 2HD PHE 60 -11.340 2.376 -3.163 384 HD2 PHE 60 1HD PHE 60 -8.499 -0.858 -3.403 385 HE1 PHE 60 2HE PHE 60 -13.152 0.763 -2.817 386 HE2 PHE 60 1HE PHE 60 -10.326 -2.474 -2.915 387 HZ PHE 60 HZ PHE 60 -12.665 -1.667 -2.680 388 H ASP 61 H ASP 61 -9.812 5.455 -5.101 389 HA ASP 61 HA ASP 61 -11.352 5.840 -2.722 390 HB3 ASP 61 2HB ASP 61 -9.403 8.099 -3.178 391 H GLU 62 H GLU 62 -11.282 6.109 -5.953 392 HA GLU 62 HA GLU 62 -13.134 8.384 -6.134 393 HB3 GLU 62 2HB GLU 62 -13.772 6.891 -8.291 394 HG3 GLU 62 2HG GLU 62 -12.735 9.231 -8.144 395 HA PRO 63 HA PRO 63 -16.379 6.489 -4.203 396 HB3 PRO 63 2HB PRO 63 -17.377 8.535 -4.525 397 HG3 PRO 63 2HG PRO 63 -17.599 9.504 -6.720 398 HD3 PRO 63 2HD PRO 63 -15.294 9.160 -6.299 399 H GLY 64 H GLY 64 -15.537 4.336 -5.306 400 HA2 GLY 64 1HA GLY 64 -17.104 2.297 -5.135 401 HA3 GLY 64 2HA GLY 64 -17.763 2.878 -6.674 402 H ASP 65 H ASP 65 -16.010 3.532 -8.218 403 HA ASP 65 HA ASP 65 -14.816 3.001 -9.855 404 HB3 ASP 65 2HB ASP 65 -12.504 2.465 -8.016 405 H GLU 66 H GLU 66 -14.357 0.361 -7.636 406 HA GLU 66 HA GLU 66 -14.581 -1.833 -7.828 407 HB3 GLU 66 2HB GLU 66 -16.348 -1.261 -10.213 408 HG3 GLU 66 2HG GLU 66 -16.601 -2.795 -7.602 409 H ASP 67 H ASP 67 -12.796 -0.580 -10.419 410 HA ASP 67 HA ASP 67 -12.346 -3.292 -11.582 411 HB3 ASP 67 2HB ASP 67 -10.541 -1.443 -12.742 412 H VAL 68 H VAL 68 -10.914 -1.198 -9.238 413 HA VAL 68 HA VAL 68 -8.283 -2.462 -9.373 414 HB VAL 68 HB VAL 68 -9.540 -0.318 -7.624 415 HG11 VAL 68 1HG1 VAL 68 -7.962 -1.423 -6.143 416 HG12 VAL 68 2HG1 VAL 68 -6.721 -1.447 -7.422 417 HG13 VAL 68 3HG1 VAL 68 -7.259 0.089 -6.700 418 HG21 VAL 68 3HG2 VAL 68 -8.938 0.209 -10.012 419 HG22 VAL 68 1HG2 VAL 68 -8.030 1.140 -8.835 420 HG23 VAL 68 2HG2 VAL 68 -7.257 -0.230 -9.650 421 H PHE 69 H PHE 69 -11.014 -2.431 -6.972 422 HA PHE 69 HA PHE 69 -9.802 -4.234 -5.223 423 HB3 PHE 69 2HB PHE 69 -11.866 -2.777 -4.891 424 HD1 PHE 69 1HD PHE 69 -12.840 -3.909 -7.432 425 HD2 PHE 69 2HD PHE 69 -13.746 -4.889 -3.379 426 HE1 PHE 69 1HE PHE 69 -15.076 -4.816 -8.165 427 HE2 PHE 69 2HE PHE 69 -15.998 -5.692 -4.062 428 HZ PHE 69 HZ PHE 69 -16.662 -5.675 -6.462 429 H ARG 70 H ARG 70 -11.254 -4.925 -8.231 430 HA ARG 70 HA ARG 70 -11.855 -7.595 -8.382 431 HB3 ARG 70 2HB ARG 70 -10.119 -6.002 -10.290 432 HG3 ARG 70 2HG ARG 70 -12.216 -8.142 -10.765 433 HD3 ARG 70 2HD ARG 70 -10.650 -6.447 -12.762 434 HE ARG 70 HE ARG 70 -11.943 -8.892 -13.055 435 HH11 ARG 70 1HH1 ARG 70 -12.782 -5.674 -14.244 436 HH12 ARG 70 2HH1 ARG 70 -13.985 -6.315 -15.278 437 HH21 ARG 70 1HH2 ARG 70 -13.022 -9.695 -14.867 438 HH22 ARG 70 2HH2 ARG 70 -13.872 -8.625 -15.930 439 H LYS 71 H LYS 71 -8.615 -6.157 -8.237 440 HA LYS 71 HA LYS 71 -7.351 -8.683 -8.878 441 HB3 LYS 71 2HB LYS 71 -5.264 -7.432 -8.616 442 HG3 LYS 71 2HG LYS 71 -5.529 -5.661 -10.183 443 HD3 LYS 71 2HD LYS 71 -7.328 -6.311 -11.801 444 HE3 LYS 71 2HE LYS 71 -5.013 -7.292 -11.878 445 HZ1 LYS 71 3HZ LYS 71 -4.917 -9.692 -11.549 446 HZ2 LYS 71 1HZ LYS 71 -6.310 -9.736 -10.746 447 HZ3 LYS 71 2HZ LYS 71 -5.024 -8.951 -10.100 448 H LEU 72 H LEU 72 -8.595 -7.472 -5.937 449 HA LEU 72 HA LEU 72 -7.046 -9.525 -4.418 450 HB3 LEU 72 2HB LEU 72 -8.325 -8.481 -2.445 451 HG LEU 72 HG LEU 72 -6.312 -6.774 -3.983 452 HD11 LEU 72 1HD1 LEU 72 -7.645 -5.320 -2.563 453 HD12 LEU 72 2HD1 LEU 72 -6.019 -5.508 -1.889 454 HD13 LEU 72 3HD1 LEU 72 -7.388 -6.387 -1.165 455 HD21 LEU 72 3HD2 LEU 72 -4.786 -7.559 -2.120 456 HD22 LEU 72 1HD2 LEU 72 -5.330 -8.838 -3.201 457 HD23 LEU 72 2HD2 LEU 72 -6.072 -8.675 -1.600 458 H ALA 73 H ALA 73 -10.372 -8.311 -5.072 459 HA ALA 73 HA ALA 73 -11.785 -10.164 -3.668 460 HB1 ALA 73 1HB ALA 73 -13.692 -9.508 -5.053 461 HB2 ALA 73 2HB ALA 73 -12.702 -8.097 -4.689 462 HB3 ALA 73 3HB ALA 73 -12.607 -8.846 -6.294 463 H ALA 74 H ALA 74 -10.681 -10.575 -7.063 464 HA ALA 74 HA ALA 74 -12.025 -13.084 -7.449 465 HB1 ALA 74 1HB ALA 74 -9.551 -11.940 -8.833 466 HB2 ALA 74 2HB ALA 74 -10.562 -13.284 -9.416 467 HB3 ALA 74 3HB ALA 74 -11.243 -11.652 -9.309 468 H ASP 75 H ASP 75 -8.642 -12.287 -6.422 469 HA ASP 75 HA ASP 75 -7.790 -15.045 -6.437 470 HB3 ASP 75 2HB ASP 75 -6.396 -13.159 -4.601 471 H LEU 76 H LEU 76 -9.287 -12.935 -4.139 472 HA LEU 76 HA LEU 76 -9.007 -14.731 -1.870 473 HB3 LEU 76 2HB LEU 76 -10.133 -11.901 -2.052 474 HG LEU 76 HG LEU 76 -10.270 -12.798 0.254 475 HD11 LEU 76 1HD1 LEU 76 -8.442 -14.504 0.092 476 HD12 LEU 76 2HD1 LEU 76 -8.200 -13.402 1.447 477 HD13 LEU 76 3HD1 LEU 76 -7.276 -13.193 -0.050 478 HD21 LEU 76 3HD2 LEU 76 -9.626 -10.393 -0.194 479 HD22 LEU 76 1HD2 LEU 76 -7.922 -10.858 -0.113 480 HD23 LEU 76 2HD2 LEU 76 -8.932 -11.027 1.327 481 H GLU 77 H GLU 77 -11.078 -14.889 -4.258 482 HA GLU 77 HA GLU 77 -13.667 -14.420 -3.356 483 HB3 GLU 77 2HB GLU 77 -12.585 -16.510 -5.303 484 HG3 GLU 77 2HG GLU 77 -15.338 -15.227 -5.042 485 H GLY 78 H GLY 78 -14.637 -15.228 -1.644 486 HA2 GLY 78 1HA GLY 78 -15.604 -17.028 -0.371 487 HA3 GLY 78 2HA GLY 78 -14.219 -18.045 -0.737 488 H LYS 79 H LYS 79 -12.818 -15.124 -0.050 489 HA LYS 79 HA LYS 79 -12.799 -15.558 2.899 490 HB3 LYS 79 2HB LYS 79 -10.307 -15.285 2.843 491 HG3 LYS 79 2HG LYS 79 -11.292 -17.650 1.157 492 HD3 LYS 79 2HD LYS 79 -9.479 -18.867 2.400 493 HE3 LYS 79 2HE LYS 79 -7.579 -17.194 1.249 494 HZ1 LYS 79 3HZ LYS 79 -7.765 -19.406 0.470 495 HZ2 LYS 79 1HZ LYS 79 -8.077 -18.452 -0.841 496 HZ3 LYS 79 2HZ LYS 79 -9.313 -19.169 -0.067 497 H ALA 80 H ALA 80 -13.511 -13.337 0.559 498 HA ALA 80 HA ALA 80 -13.441 -11.308 2.594 499 HB1 ALA 80 1HB ALA 80 -11.314 -10.808 1.486 500 HB2 ALA 80 2HB ALA 80 -12.115 -10.789 -0.115 501 HB3 ALA 80 3HB ALA 80 -12.479 -9.545 1.113 502 H ASP 81 H ASP 81 -14.563 -9.289 1.684 503 HA ASP 81 HA ASP 81 -16.831 -9.994 -0.068 504 HB3 ASP 81 2HB ASP 81 -18.440 -9.361 1.393 505 H GLU 82 H GLU 82 -17.906 -8.057 -0.778 506 HA GLU 82 HA GLU 82 -16.009 -6.566 -2.073 507 HB3 GLU 82 2HB GLU 82 -18.088 -5.271 -2.907 508 HG3 GLU 82 2HG GLU 82 -18.003 -8.313 -2.875 509 H GLU 83 H GLU 83 -18.214 -5.516 0.518 510 HA GLU 83 HA GLU 83 -17.070 -2.847 0.660 511 HB3 GLU 83 2HB GLU 83 -18.449 -3.616 3.103 512 HG3 GLU 83 2HG GLU 83 -19.309 -1.852 0.769 513 H THR 84 H THR 84 -16.505 -5.951 2.320 514 HA THR 84 HA THR 84 -14.924 -5.035 4.422 515 HB THR 84 HB THR 84 -14.954 -7.685 2.947 516 HG1 THR 84 1HG THR 84 -16.402 -8.233 4.460 517 HG21 THR 84 3HG2 THR 84 -12.829 -7.607 4.146 518 HG22 THR 84 1HG2 THR 84 -13.961 -8.662 5.003 519 HG23 THR 84 2HG2 THR 84 -13.650 -7.022 5.613 520 H ILE 85 H ILE 85 -13.849 -5.918 1.073 521 HA ILE 85 HA ILE 85 -11.088 -5.546 1.563 522 HB ILE 85 HB ILE 85 -12.622 -5.081 -1.028 523 HG13 ILE 85 2HG1 ILE 85 -12.684 -7.431 0.095 524 HG21 ILE 85 1HG2 ILE 85 -9.629 -5.484 -0.566 525 HG22 ILE 85 2HG2 ILE 85 -10.423 -5.428 -2.155 526 HG23 ILE 85 3HG2 ILE 85 -10.407 -3.997 -1.136 527 HD11 ILE 85 3HD1 ILE 85 -13.056 -7.128 -2.357 528 HD12 ILE 85 1HD1 ILE 85 -11.318 -7.430 -2.609 529 HD13 ILE 85 2HD1 ILE 85 -12.341 -8.682 -1.894 530 H ARG 86 H ARG 86 -13.558 -3.057 0.518 531 HA ARG 86 HA ARG 86 -11.604 -1.033 0.161 532 HB3 ARG 86 2HB ARG 86 -13.891 -1.071 -0.807 533 HG3 ARG 86 2HG ARG 86 -14.765 -0.515 1.959 534 HD3 ARG 86 2HD ARG 86 -14.413 1.776 0.750 535 HE ARG 86 HE ARG 86 -16.059 0.835 -1.163 536 HH11 ARG 86 1HH1 ARG 86 -16.718 3.346 1.264 537 HH12 ARG 86 2HH1 ARG 86 -18.225 3.810 0.547 538 HH21 ARG 86 1HH2 ARG 86 -17.929 1.437 -2.094 539 HH22 ARG 86 2HH2 ARG 86 -19.023 2.609 -1.393 540 H ALA 87 H ALA 87 -13.517 -1.883 3.004 541 HA ALA 87 HA ALA 87 -12.504 0.189 4.681 542 HB1 ALA 87 1HB ALA 87 -13.592 -2.563 5.356 543 HB2 ALA 87 2HB ALA 87 -13.315 -1.266 6.544 544 HB3 ALA 87 3HB ALA 87 -14.522 -1.055 5.255 545 H LYS 88 H LYS 88 -11.256 -3.085 3.965 546 HA LYS 88 HA LYS 88 -9.396 -3.305 6.075 547 HB3 LYS 88 2HB LYS 88 -8.214 -4.461 3.735 548 HG3 LYS 88 2HG LYS 88 -8.377 -5.400 6.103 549 HD3 LYS 88 2HD LYS 88 -10.236 -7.214 6.122 550 HE3 LYS 88 2HE LYS 88 -11.037 -4.346 6.776 551 HZ1 LYS 88 3HZ LYS 88 -11.840 -6.956 7.906 552 HZ2 LYS 88 1HZ LYS 88 -12.827 -5.810 7.186 553 HZ3 LYS 88 2HZ LYS 88 -12.125 -5.523 8.622 554 H MET 89 H MET 89 -8.949 -1.813 2.840 555 HA MET 89 HA MET 89 -6.184 -1.247 3.266 556 HB3 MET 89 2HB MET 89 -6.285 0.239 1.424 557 HG3 MET 89 2HG MET 89 -8.505 -1.560 0.523 558 HE1 MET 89 3HE MET 89 -6.439 -3.305 -1.379 559 HE2 MET 89 1HE MET 89 -8.080 -2.769 -1.826 560 HE3 MET 89 2HE MET 89 -6.702 -2.423 -2.899 561 H VAL 90 H VAL 90 -9.060 0.391 4.340 562 HA VAL 90 HA VAL 90 -7.717 2.906 4.888 563 HB VAL 90 HB VAL 90 -10.575 1.916 5.209 564 HG11 VAL 90 1HG1 VAL 90 -11.174 4.314 5.395 565 HG12 VAL 90 2HG1 VAL 90 -10.226 3.730 6.756 566 HG13 VAL 90 3HG1 VAL 90 -9.450 4.728 5.491 567 HG21 VAL 90 3HG2 VAL 90 -11.024 3.298 3.227 568 HG22 VAL 90 1HG2 VAL 90 -9.320 3.795 3.147 569 HG23 VAL 90 2HG2 VAL 90 -9.781 2.115 2.828 570 H GLU 91 H GLU 91 -8.613 -0.020 6.677 571 HA GLU 91 HA GLU 91 -8.545 0.962 9.341 572 HB3 GLU 91 2HB GLU 91 -7.753 -1.442 9.858 573 HG3 GLU 91 2HG GLU 91 -10.293 -0.952 8.266 574 H LEU 92 H LEU 92 -5.907 -0.140 7.267 575 HA LEU 92 HA LEU 92 -3.771 0.627 9.213 576 HB3 LEU 92 2HB LEU 92 -3.868 -1.612 8.453 577 HG LEU 92 HG LEU 92 -4.728 -0.950 5.983 578 HD11 LEU 92 1HD1 LEU 92 -2.737 -1.390 4.413 579 HD12 LEU 92 2HD1 LEU 92 -1.710 -0.959 5.783 580 HD13 LEU 92 3HD1 LEU 92 -2.860 0.222 5.112 581 HD21 LEU 92 3HD2 LEU 92 -4.640 -3.197 6.911 582 HD22 LEU 92 1HD2 LEU 92 -2.895 -3.304 6.576 583 HD23 LEU 92 2HD2 LEU 92 -4.084 -3.190 5.245 584 H ARG 93 H ARG 93 -5.344 2.617 7.398 585 HA ARG 93 HA ARG 93 -3.469 3.381 5.407 586 HB3 ARG 93 2HB ARG 93 -5.821 3.964 5.274 587 HG3 ARG 93 2HG ARG 93 -5.719 5.020 7.829 588 HD3 ARG 93 2HD ARG 93 -4.544 7.097 6.817 589 HE ARG 93 HE ARG 93 -7.245 7.300 5.558 590 HH11 ARG 93 1HH1 ARG 93 -4.028 8.832 5.952 591 HH12 ARG 93 2HH1 ARG 93 -4.443 10.153 4.900 592 HH21 ARG 93 1HH2 ARG 93 -7.573 8.847 3.990 593 HH22 ARG 93 2HH2 ARG 93 -6.552 10.243 3.845 594 H ALA 94 H ALA 94 -3.518 4.366 8.827 595 HA ALA 94 HA ALA 94 -1.493 6.444 8.404 596 HB1 ALA 94 1HB ALA 94 -1.331 6.421 10.879 597 HB2 ALA 94 2HB ALA 94 -2.973 6.684 10.307 598 HB3 ALA 94 3HB ALA 94 -2.488 5.079 10.936 599 H THR 95 H THR 95 -1.589 2.972 9.428 600 HA THR 95 HA THR 95 0.724 2.556 10.581 601 HB THR 95 HB THR 95 -0.575 0.745 8.485 602 HG1 THR 95 1HG THR 95 -1.578 0.337 10.845 603 HG21 THR 95 3HG2 THR 95 1.642 0.112 9.984 604 HG22 THR 95 1HG2 THR 95 0.410 -1.052 9.502 605 HG23 THR 95 2HG2 THR 95 0.367 -0.302 11.131 606 H ALA 96 H ALA 96 0.353 2.562 7.005 607 HA ALA 96 HA ALA 96 3.037 1.960 6.441 608 HB1 ALA 96 1HB ALA 96 2.573 2.626 4.200 609 HB2 ALA 96 2HB ALA 96 1.064 1.952 4.824 610 HB3 ALA 96 3HB ALA 96 1.242 3.706 4.682 611 H ARG 97 H ARG 97 1.613 5.178 7.079 612 HA ARG 97 HA ARG 97 3.981 6.531 5.962 613 HB3 ARG 97 2HB ARG 97 1.833 7.687 5.689 614 HG3 ARG 97 2HG ARG 97 1.758 7.690 8.730 615 HD3 ARG 97 2HD ARG 97 0.003 9.438 7.013 616 HE ARG 97 HE ARG 97 0.520 9.118 9.950 617 HH11 ARG 97 1HH1 ARG 97 -1.329 10.890 7.476 618 HH12 ARG 97 2HH1 ARG 97 -2.332 11.650 8.686 619 HH21 ARG 97 1HH2 ARG 97 -0.889 9.976 11.394 620 HH22 ARG 97 2HH2 ARG 97 -2.109 11.131 10.932 621 H GLU 98 H GLU 98 2.785 5.552 9.241 622 HA GLU 98 HA GLU 98 4.608 6.831 10.829 623 HB3 GLU 98 2HB GLU 98 4.532 4.454 11.952 624 HG3 GLU 98 2HG GLU 98 1.948 6.011 11.783 625 H GLN 99 H GLN 99 5.070 3.606 9.162 626 HA GLN 99 HA GLN 99 7.572 3.150 10.035 627 HB3 GLN 99 2HB GLN 99 7.880 1.636 8.239 628 HG3 GLN 99 2HG GLN 99 4.873 1.785 8.533 629 HE21 GLN 99 1HE2 GLN 99 4.662 -0.693 9.883 630 HE22 GLN 99 2HE2 GLN 99 5.019 -1.907 8.672 631 H ILE 100 H ILE 100 6.853 5.321 7.236 632 HA ILE 100 HA ILE 100 9.606 5.476 6.398 633 HB ILE 100 HB ILE 100 7.611 7.724 6.173 634 HG13 ILE 100 2HG1 ILE 100 6.761 6.965 4.102 635 HG21 ILE 100 1HG2 ILE 100 9.801 8.370 5.451 636 HG22 ILE 100 2HG2 ILE 100 10.045 6.868 4.545 637 HG23 ILE 100 3HG2 ILE 100 8.901 8.080 3.952 638 HD11 ILE 100 3HD1 ILE 100 7.013 4.723 3.203 639 HD12 ILE 100 1HD1 ILE 100 8.515 5.648 3.105 640 HD13 ILE 100 2HD1 ILE 100 8.306 4.407 4.381 641 H ILE 101 H ILE 101 7.611 7.410 8.664 642 HA ILE 101 HA ILE 101 9.645 9.370 9.287 643 HB ILE 101 HB ILE 101 7.086 8.545 10.733 644 HG13 ILE 101 2HG1 ILE 101 6.819 9.357 8.290 645 HG21 ILE 101 1HG2 ILE 101 8.736 11.103 10.985 646 HG22 ILE 101 2HG2 ILE 101 7.165 10.815 11.766 647 HG23 ILE 101 3HG2 ILE 101 8.551 9.847 12.222 648 HD11 ILE 101 3HD1 ILE 101 4.960 10.768 8.687 649 HD12 ILE 101 1HD1 ILE 101 4.972 9.493 9.919 650 HD13 ILE 101 2HD1 ILE 101 5.490 11.146 10.336 651 H SER 102 H SER 102 8.852 6.150 10.292 652 HA SER 102 HA SER 102 10.392 6.119 12.754 653 HB3 SER 102 2HB SER 102 9.754 3.556 11.490 654 HG SER 102 HG SER 102 8.139 4.528 13.543 655 H GLU 103 H GLU 103 11.329 6.083 9.387 656 HA GLU 103 HA GLU 103 13.556 4.161 9.822 657 HB3 GLU 103 2HB GLU 103 13.175 3.919 7.251 658 HG3 GLU 103 2HG GLU 103 11.218 2.661 9.181 659 H ILE 104 H ILE 104 13.487 7.180 10.216 660 HA ILE 104 HA ILE 104 14.793 8.325 7.976 661 HB ILE 104 HB ILE 104 15.050 9.211 10.867 662 HG13 ILE 104 2HG1 ILE 104 13.259 10.831 10.434 663 HG21 ILE 104 1HG2 ILE 104 16.726 10.228 9.441 664 HG22 ILE 104 2HG2 ILE 104 15.505 10.690 8.246 665 HG23 ILE 104 3HG2 ILE 104 15.512 11.435 9.868 666 HD11 ILE 104 3HD1 ILE 104 12.561 9.251 7.942 667 HD12 ILE 104 1HD1 ILE 104 11.649 10.585 8.655 668 HD13 ILE 104 2HD1 ILE 104 13.232 10.907 7.920 Start of MODEL 13 1 H1 MET 1 H MET 1 22.618 11.247 -12.679 2 HA MET 1 HA MET 1 24.159 13.006 -13.423 3 HB3 MET 1 2HB MET 1 23.162 15.399 -13.126 4 HG3 MET 1 2HG MET 1 22.753 13.484 -15.397 5 HE1 MET 1 3HE MET 1 21.429 15.490 -18.360 6 HE2 MET 1 1HE MET 1 23.107 15.443 -17.803 7 HE3 MET 1 2HE MET 1 22.125 13.968 -17.762 8 H THR 2 H THR 2 25.231 12.300 -11.592 9 HA THR 2 HA THR 2 24.286 13.374 -8.970 10 HB THR 2 HB THR 2 24.735 11.110 -8.026 11 HG1 THR 2 1HG THR 2 24.606 9.395 -9.612 12 HG21 THR 2 3HG2 THR 2 22.646 10.163 -8.691 13 HG22 THR 2 1HG2 THR 2 22.692 10.956 -10.280 14 HG23 THR 2 2HG2 THR 2 22.441 11.918 -8.815 15 H THR 3 H THR 3 26.945 11.971 -10.864 16 HA THR 3 HA THR 3 29.101 12.386 -11.009 17 HB THR 3 HB THR 3 28.721 14.874 -9.319 18 HG1 THR 3 1HG THR 3 27.383 15.389 -10.810 19 HG21 THR 3 3HG2 THR 3 30.514 15.767 -10.729 20 HG22 THR 3 1HG2 THR 3 30.616 14.237 -11.628 21 HG23 THR 3 2HG2 THR 3 31.077 14.299 -9.911 22 H PHE 4 H PHE 4 28.309 13.225 -7.602 23 HA PHE 4 HA PHE 4 30.041 11.079 -6.630 24 HB3 PHE 4 2HB PHE 4 31.520 13.021 -6.560 25 HD1 PHE 4 2HD PHE 4 30.597 15.117 -7.594 26 HD2 PHE 4 1HD PHE 4 29.719 14.035 -3.509 27 HE1 PHE 4 2HE PHE 4 29.734 17.406 -7.171 28 HE2 PHE 4 1HE PHE 4 28.883 16.332 -3.090 29 HZ PHE 4 HZ PHE 4 28.872 18.011 -4.916 30 H ASP 5 H ASP 5 27.589 13.581 -6.117 31 HA ASP 5 HA ASP 5 26.016 13.989 -4.685 32 HB3 ASP 5 2HB ASP 5 24.772 11.441 -4.316 33 H ASP 6 H ASP 6 26.956 14.699 -2.928 34 HA ASP 6 HA ASP 6 28.205 13.193 -0.873 35 HB3 ASP 6 2HB ASP 6 26.987 15.959 -1.018 36 H ARG 7 H ARG 7 24.954 14.741 -0.704 37 HA ARG 7 HA ARG 7 24.398 13.060 1.618 38 HB3 ARG 7 2HB ARG 7 23.967 15.542 1.496 39 HG3 ARG 7 2HG ARG 7 22.706 15.199 -0.856 40 HD3 ARG 7 2HD ARG 7 20.370 15.552 1.016 41 HE ARG 7 HE ARG 7 20.627 14.726 -1.854 42 HH11 ARG 7 1HH1 ARG 7 18.508 15.745 0.819 43 HH12 ARG 7 2HH1 ARG 7 17.130 15.997 -0.217 44 HH21 ARG 7 1HH2 ARG 7 18.731 14.778 -3.115 45 HH22 ARG 7 2HH2 ARG 7 17.255 15.403 -2.470 46 H GLU 8 H GLU 8 22.397 11.855 1.859 47 HA GLU 8 HA GLU 8 21.762 10.430 -0.640 48 HB3 GLU 8 2HB GLU 8 21.328 9.687 2.261 49 HG3 GLU 8 2HG GLU 8 20.879 8.195 -0.367 50 H ARG 9 H ARG 9 19.478 10.799 2.121 51 HA ARG 9 HA ARG 9 17.491 11.786 0.106 52 HB3 ARG 9 2HB ARG 9 15.855 10.293 1.357 53 HG3 ARG 9 2HG ARG 9 18.119 9.057 -0.214 54 HD3 ARG 9 2HD ARG 9 16.238 7.476 -0.965 55 HE ARG 9 HE ARG 9 16.632 6.682 1.790 56 HH11 ARG 9 1HH1 ARG 9 18.417 7.135 -1.280 57 HH12 ARG 9 2HH1 ARG 9 19.436 5.772 -0.993 58 HH21 ARG 9 1HH2 ARG 9 17.881 4.716 2.012 59 HH22 ARG 9 2HH2 ARG 9 19.201 4.475 0.939 60 H ALA 10 H ALA 10 17.523 11.233 3.594 61 HA ALA 10 HA ALA 10 16.748 12.371 5.362 62 HB1 ALA 10 1HB ALA 10 17.620 14.631 5.696 63 HB2 ALA 10 2HB ALA 10 18.860 13.556 5.023 64 HB3 ALA 10 3HB ALA 10 18.042 14.742 3.981 65 H HIS 11 H HIS 11 14.558 11.896 4.576 66 HA HIS 11 HA HIS 11 12.710 13.745 3.650 67 HB3 HIS 11 2HB HIS 11 12.242 11.515 3.798 68 HD1 HIS 11 1HD HIS 11 12.243 9.186 5.125 69 HD2 HIS 11 2HD HIS 11 13.074 12.514 7.544 70 HE1 HIS 11 1HE HIS 11 12.770 8.277 7.462 71 H GLU 12 H GLU 12 14.484 15.056 5.905 72 HA GLU 12 HA GLU 12 12.635 15.292 8.180 73 HB3 GLU 12 2HB GLU 12 14.475 16.663 9.152 74 HG3 GLU 12 2HG GLU 12 15.243 13.895 8.088 75 H ALA 13 H ALA 13 11.066 16.702 8.245 76 HA ALA 13 HA ALA 13 9.597 18.176 7.741 77 HB1 ALA 13 1HB ALA 13 10.140 20.498 7.221 78 HB2 ALA 13 2HB ALA 13 11.190 19.878 8.510 79 HB3 ALA 13 3HB ALA 13 11.814 20.042 6.850 80 H LYS 14 H LYS 14 11.586 17.154 5.251 81 HA LYS 14 HA LYS 14 10.356 18.233 2.968 82 HB3 LYS 14 2HB LYS 14 11.607 16.404 1.803 83 HG3 LYS 14 2HG LYS 14 13.524 16.878 4.023 84 HD3 LYS 14 2HD LYS 14 13.621 17.318 1.001 85 HE3 LYS 14 2HE LYS 14 16.132 17.258 1.493 86 HZ1 LYS 14 3HZ LYS 14 14.450 19.509 2.349 87 HZ2 LYS 14 1HZ LYS 14 15.321 19.360 0.980 88 HZ3 LYS 14 2HZ LYS 14 16.124 19.573 2.377 89 H PHE 15 H PHE 15 8.599 16.091 4.932 90 HA PHE 15 HA PHE 15 7.439 14.575 2.659 91 HB3 PHE 15 2HB PHE 15 5.791 14.445 5.005 92 HD1 PHE 15 1HD PHE 15 8.528 12.775 2.955 93 HD2 PHE 15 2HD PHE 15 5.109 12.233 5.539 94 HE1 PHE 15 1HE PHE 15 8.467 10.386 2.389 95 HE2 PHE 15 2HE PHE 15 5.204 9.790 5.137 96 HZ PHE 15 HZ PHE 15 6.858 8.858 3.532 97 H ALA 16 H ALA 16 7.284 17.629 3.370 98 HA ALA 16 HA ALA 16 4.797 17.992 1.893 99 HB1 ALA 16 1HB ALA 16 4.528 18.758 4.358 100 HB2 ALA 16 2HB ALA 16 5.736 20.030 3.966 101 HB3 ALA 16 3HB ALA 16 4.190 19.946 3.107 102 H HIS 17 H HIS 17 5.587 20.850 1.626 103 HA HIS 17 HA HIS 17 6.770 22.306 0.591 104 HB3 HIS 17 2HB HIS 17 9.069 20.534 1.355 105 HD1 HIS 17 1HD HIS 17 10.586 21.914 -0.435 106 HD2 HIS 17 2HD HIS 17 8.380 24.142 2.377 107 HE1 HIS 17 1HE HIS 17 11.324 24.381 -0.711 108 H ASP 18 H ASP 18 8.201 19.178 -0.260 109 HA ASP 18 HA ASP 18 8.911 20.049 -3.010 110 HB3 ASP 18 2HB ASP 18 10.174 17.822 -2.924 111 H ALA 19 H ALA 19 8.651 17.790 -4.484 112 HA ALA 19 HA ALA 19 6.028 16.545 -3.761 113 HB1 ALA 19 1HB ALA 19 5.840 17.849 -5.858 114 HB2 ALA 19 2HB ALA 19 7.173 16.909 -6.566 115 HB3 ALA 19 3HB ALA 19 5.664 16.108 -6.141 116 H GLU 20 H GLU 20 9.320 16.008 -5.130 117 HA GLU 20 HA GLU 20 9.327 13.358 -5.691 118 HB3 GLU 20 2HB GLU 20 11.750 13.398 -4.641 119 HG3 GLU 20 2HG GLU 20 10.885 15.314 -6.819 120 H LEU 21 H LEU 21 10.134 14.456 -2.238 121 HA LEU 21 HA LEU 21 10.139 11.902 -1.222 122 HB3 LEU 21 2HB LEU 21 10.012 13.304 0.877 123 HG LEU 21 HG LEU 21 11.726 14.907 0.435 124 HD11 LEU 21 1HD1 LEU 21 12.224 12.498 1.039 125 HD12 LEU 21 2HD1 LEU 21 13.571 13.336 0.248 126 HD13 LEU 21 3HD1 LEU 21 12.558 12.217 -0.695 127 HD21 LEU 21 3HD2 LEU 21 12.254 14.119 -2.354 128 HD22 LEU 21 1HD2 LEU 21 13.092 15.276 -1.345 129 HD23 LEU 21 2HD2 LEU 21 11.451 15.632 -1.830 130 H ASN 22 H ASN 22 7.386 14.223 -1.680 131 HA ASN 22 HA ASN 22 5.638 12.835 0.150 132 HB3 ASN 22 2HB ASN 22 5.001 14.781 -2.100 133 HD21 ASN 22 1HD2 ASN 22 2.917 15.670 -1.947 134 HD22 ASN 22 2HD2 ASN 22 1.673 14.963 -0.980 135 H PHE 23 H PHE 23 6.417 12.702 -3.338 136 HA PHE 23 HA PHE 23 4.264 11.185 -4.251 137 HB3 PHE 23 2HB PHE 23 7.010 10.467 -5.248 138 HD1 PHE 23 1HD PHE 23 4.087 9.386 -5.928 139 HD2 PHE 23 2HD PHE 23 6.501 12.562 -7.614 140 HE1 PHE 23 1HE PHE 23 2.825 9.235 -8.022 141 HE2 PHE 23 2HE PHE 23 5.236 12.378 -9.729 142 HZ PHE 23 HZ PHE 23 3.399 10.698 -9.943 143 H LYS 24 H LYS 24 7.365 10.093 -2.825 144 HA LYS 24 HA LYS 24 6.884 7.284 -2.743 145 HB3 LYS 24 2HB LYS 24 8.332 7.533 -0.575 146 HG3 LYS 24 2HG LYS 24 9.914 8.733 -2.746 147 HD3 LYS 24 2HD LYS 24 9.927 5.954 -1.487 148 HE3 LYS 24 2HE LYS 24 11.012 6.222 -3.790 149 HZ1 LYS 24 3HZ LYS 24 13.086 7.595 -2.205 150 HZ2 LYS 24 1HZ LYS 24 12.160 8.383 -3.320 151 HZ3 LYS 24 2HZ LYS 24 13.194 7.187 -3.779 152 H ALA 25 H ALA 25 5.668 9.844 -0.600 153 HA ALA 25 HA ALA 25 4.433 7.862 1.126 154 HB1 ALA 25 1HB ALA 25 3.817 9.773 2.495 155 HB2 ALA 25 2HB ALA 25 5.342 10.299 1.736 156 HB3 ALA 25 3HB ALA 25 3.803 10.859 1.098 157 H GLU 26 H GLU 26 3.329 9.838 -1.593 158 HA GLU 26 HA GLU 26 0.580 9.437 -1.047 159 HB3 GLU 26 2HB GLU 26 1.656 9.612 -3.867 160 HG3 GLU 26 2HG GLU 26 -0.446 11.334 -2.532 161 H ALA 27 H ALA 27 3.066 7.466 -2.552 162 HA ALA 27 HA ALA 27 1.004 5.712 -3.847 163 HB1 ALA 27 1HB ALA 27 2.609 5.262 -5.569 164 HB2 ALA 27 2HB ALA 27 2.539 7.018 -5.340 165 HB3 ALA 27 3HB ALA 27 3.888 6.092 -4.671 166 H ARG 28 H ARG 28 1.271 5.101 -1.374 167 HA ARG 28 HA ARG 28 2.506 2.425 -1.398 168 HB3 ARG 28 2HB ARG 28 4.260 3.745 -0.669 169 HG3 ARG 28 2HG ARG 28 3.054 5.809 0.057 170 HD3 ARG 28 2HD ARG 28 2.680 4.127 2.532 171 HE ARG 28 HE ARG 28 3.615 6.502 2.831 172 HH11 ARG 28 1HH1 ARG 28 0.210 5.579 3.234 173 HH12 ARG 28 2HH1 ARG 28 -0.209 7.081 4.034 174 HH21 ARG 28 1HH2 ARG 28 2.884 8.597 3.697 175 HH22 ARG 28 2HH2 ARG 28 1.245 8.670 4.313 176 H ARG 29 H ARG 29 -0.040 4.470 -0.270 177 HA ARG 29 HA ARG 29 -0.878 3.140 2.004 178 HB3 ARG 29 2HB ARG 29 -1.639 5.281 1.152 179 HG3 ARG 29 2HG ARG 29 -2.185 4.705 -1.250 180 HD3 ARG 29 2HD ARG 29 -4.507 3.389 0.189 181 HE ARG 29 HE ARG 29 -4.967 3.878 -2.625 182 HH11 ARG 29 1HH1 ARG 29 -5.737 4.960 0.652 183 HH12 ARG 29 2HH1 ARG 29 -7.267 5.627 0.206 184 HH21 ARG 29 1HH2 ARG 29 -6.986 4.749 -3.218 185 HH22 ARG 29 2HH2 ARG 29 -8.053 5.355 -2.045 186 H ASN 30 H ASN 30 -1.058 1.895 -1.215 187 HA ASN 30 HA ASN 30 -2.781 -0.332 -0.213 188 HB3 ASN 30 2HB ASN 30 -2.193 -0.379 -3.102 189 HD21 ASN 30 1HD2 ASN 30 -5.332 0.725 -3.026 190 HD22 ASN 30 2HD2 ASN 30 -6.079 -0.762 -2.616 191 H ARG 31 H ARG 31 0.474 0.306 -1.158 192 HA ARG 31 HA ARG 31 1.080 -2.213 -2.318 193 HB3 ARG 31 2HB ARG 31 2.391 -0.037 -2.427 194 HG3 ARG 31 2HG ARG 31 2.723 -0.047 0.223 195 HD3 ARG 31 2HD ARG 31 4.205 -2.314 -0.409 196 HE ARG 31 HE ARG 31 5.910 -0.374 -1.144 197 HH11 ARG 31 1HH1 ARG 31 5.945 -2.890 1.415 198 HH12 ARG 31 2HH1 ARG 31 7.571 -2.445 1.931 199 HH21 ARG 31 1HH2 ARG 31 8.201 -0.030 -0.449 200 HH22 ARG 31 2HH2 ARG 31 8.763 -1.065 0.815 201 H LEU 32 H LEU 32 0.660 -1.349 0.977 202 HA LEU 32 HA LEU 32 2.077 -3.675 2.041 203 HB3 LEU 32 2HB LEU 32 2.373 -1.642 3.100 204 HG LEU 32 HG LEU 32 0.771 -0.090 2.993 205 HD11 LEU 32 1HD1 LEU 32 -1.148 -1.227 2.151 206 HD12 LEU 32 2HD1 LEU 32 -1.638 -0.361 3.598 207 HD13 LEU 32 3HD1 LEU 32 -1.365 -2.111 3.676 208 HD21 LEU 32 3HD2 LEU 32 0.256 -1.371 5.706 209 HD22 LEU 32 1HD2 LEU 32 -0.052 0.320 5.280 210 HD23 LEU 32 2HD2 LEU 32 1.606 -0.297 5.290 211 H LEU 33 H LEU 33 -1.153 -3.204 0.843 212 HA LEU 33 HA LEU 33 -2.557 -4.734 2.739 213 HB3 LEU 33 2HB LEU 33 -3.158 -4.261 -0.210 214 HG LEU 33 HG LEU 33 -4.779 -5.612 1.135 215 HD11 LEU 33 1HD1 LEU 33 -5.210 -3.000 2.653 216 HD12 LEU 33 2HD1 LEU 33 -4.661 -4.544 3.344 217 HD13 LEU 33 3HD1 LEU 33 -6.298 -4.402 2.713 218 HD21 LEU 33 3HD2 LEU 33 -6.765 -4.444 0.319 219 HD22 LEU 33 1HD2 LEU 33 -5.454 -4.378 -0.861 220 HD23 LEU 33 2HD2 LEU 33 -5.817 -2.949 0.117 221 H GLY 34 H GLY 34 -0.560 -5.602 0.039 222 HA2 GLY 34 1HA GLY 34 -1.682 -8.155 -0.617 223 HA3 GLY 34 2HA GLY 34 -0.009 -7.669 -0.940 224 H GLU 35 H GLU 35 0.757 -7.172 1.724 225 HA GLU 35 HA GLU 35 1.733 -9.559 2.701 226 HB3 GLU 35 2HB GLU 35 2.261 -8.289 4.703 227 HG3 GLU 35 2HG GLU 35 2.240 -6.398 2.295 228 H TRP 36 H TRP 36 -1.303 -7.984 3.362 229 HA TRP 36 HA TRP 36 -2.138 -9.766 5.532 230 HB3 TRP 36 2HB TRP 36 -3.570 -7.657 3.902 231 HD1 TRP 36 HD TRP 36 -4.354 -9.719 7.102 232 HE1 TRP 36 1HE TRP 36 -6.862 -10.222 7.153 233 HE3 TRP 36 3HE TRP 36 -5.741 -7.325 2.793 234 HZ2 TRP 36 2HZ TRP 36 -9.203 -9.527 5.617 235 HZ3 TRP 36 3HZ TRP 36 -8.127 -7.251 2.114 236 HH2 TRP 36 HH TRP 36 -9.864 -8.348 3.525 237 H ALA 37 H ALA 37 -3.868 -9.304 2.382 238 HA ALA 37 HA ALA 37 -5.241 -11.687 2.614 239 HB1 ALA 37 1HB ALA 37 -4.400 -10.221 0.071 240 HB2 ALA 37 2HB ALA 37 -5.788 -11.307 0.215 241 HB3 ALA 37 3HB ALA 37 -5.786 -9.758 1.091 242 H ALA 38 H ALA 38 -1.915 -11.360 1.295 243 HA ALA 38 HA ALA 38 -1.831 -13.675 -0.282 244 HB1 ALA 38 1HB ALA 38 0.265 -12.396 1.510 245 HB2 ALA 38 2HB ALA 38 0.608 -13.757 0.438 246 HB3 ALA 38 3HB ALA 38 0.076 -12.212 -0.240 247 H GLY 39 H GLY 39 -1.093 -13.404 3.235 248 HA2 GLY 39 1HA GLY 39 -0.778 -16.115 3.817 249 HA3 GLY 39 2HA GLY 39 -1.381 -14.907 4.961 250 H LEU 40 H LEU 40 -3.881 -14.202 4.014 251 HA LEU 40 HA LEU 40 -5.596 -16.178 4.800 252 HB3 LEU 40 2HB LEU 40 -7.307 -14.904 3.439 253 HG LEU 40 HG LEU 40 -6.811 -14.303 5.739 254 HD11 LEU 40 1HD1 LEU 40 -5.615 -12.306 6.387 255 HD12 LEU 40 2HD1 LEU 40 -4.996 -12.135 4.742 256 HD13 LEU 40 3HD1 LEU 40 -4.539 -13.533 5.764 257 HD21 LEU 40 3HD2 LEU 40 -8.610 -13.162 4.493 258 HD22 LEU 40 1HD2 LEU 40 -7.452 -11.912 3.977 259 HD23 LEU 40 2HD2 LEU 40 -7.898 -12.096 5.690 260 H LEU 41 H LEU 41 -4.524 -15.464 1.508 261 HA LEU 41 HA LEU 41 -6.056 -17.586 0.201 262 HB3 LEU 41 2HB LEU 41 -4.784 -16.738 -1.809 263 HG LEU 41 HG LEU 41 -6.069 -14.552 -0.103 264 HD11 LEU 41 1HD1 LEU 41 -6.238 -13.262 -2.152 265 HD12 LEU 41 2HD1 LEU 41 -5.368 -14.517 -3.057 266 HD13 LEU 41 3HD1 LEU 41 -4.543 -13.593 -1.784 267 HD21 LEU 41 3HD2 LEU 41 -7.983 -14.905 -1.658 268 HD22 LEU 41 1HD2 LEU 41 -7.656 -16.283 -0.607 269 HD23 LEU 41 2HD2 LEU 41 -7.141 -16.328 -2.305 270 H GLY 42 H GLY 42 -3.329 -17.770 2.120 271 HA2 GLY 42 1HA GLY 42 -1.823 -19.433 2.456 272 HA3 GLY 42 2HA GLY 42 -2.527 -20.350 1.114 273 H LYS 43 H LYS 43 -1.673 -17.165 0.125 274 HA LYS 43 HA LYS 43 0.430 -18.154 -1.633 275 HB3 LYS 43 2HB LYS 43 0.734 -15.772 -2.198 276 HG3 LYS 43 2HG LYS 43 -2.246 -16.397 -2.213 277 HD3 LYS 43 2HD LYS 43 -0.378 -14.772 -4.010 278 HE3 LYS 43 2HE LYS 43 -2.382 -14.202 -5.322 279 HZ1 LYS 43 3HZ LYS 43 -2.217 -17.135 -5.375 280 HZ2 LYS 43 1HZ LYS 43 -0.934 -16.275 -5.816 281 HZ3 LYS 43 2HZ LYS 43 -2.378 -16.089 -6.623 282 H THR 44 H THR 44 2.521 -18.237 -1.073 283 HA THR 44 HA THR 44 3.571 -16.599 1.136 284 HB THR 44 HB THR 44 4.832 -18.594 1.963 285 HG1 THR 44 1HG THR 44 2.877 -20.134 0.609 286 HG21 THR 44 3HG2 THR 44 3.093 -19.540 3.358 287 HG22 THR 44 1HG2 THR 44 1.821 -18.903 2.289 288 HG23 THR 44 2HG2 THR 44 2.853 -17.790 3.206 289 H GLY 45 H GLY 45 6.044 -16.794 1.081 290 HA2 GLY 45 1HA GLY 45 7.969 -16.437 -0.041 291 HA3 GLY 45 2HA GLY 45 7.509 -17.903 -0.921 292 H ASP 46 H ASP 46 7.723 -17.642 -3.029 293 HA ASP 46 HA ASP 46 8.078 -15.164 -4.364 294 HB3 ASP 46 2HB ASP 46 7.335 -17.868 -5.540 295 H ASP 47 H ASP 47 5.200 -17.227 -3.944 296 HA ASP 47 HA ASP 47 3.559 -15.947 -5.915 297 HB3 ASP 47 2HB ASP 47 2.348 -17.280 -3.604 298 H ALA 48 H ALA 48 4.015 -15.562 -2.475 299 HA ALA 48 HA ALA 48 1.987 -13.453 -2.051 300 HB1 ALA 48 1HB ALA 48 2.752 -14.819 -0.148 301 HB2 ALA 48 2HB ALA 48 4.426 -14.262 -0.386 302 HB3 ALA 48 3HB ALA 48 3.162 -13.121 0.105 303 H ARG 49 H ARG 49 5.555 -13.580 -2.619 304 HA ARG 49 HA ARG 49 6.041 -10.809 -2.499 305 HB3 ARG 49 2HB ARG 49 7.734 -11.570 -4.521 306 HG3 ARG 49 2HG ARG 49 8.190 -12.405 -1.648 307 HD3 ARG 49 2HD ARG 49 10.509 -11.508 -2.181 308 HE ARG 49 HE ARG 49 9.637 -14.022 -2.766 309 HH11 ARG 49 1HH1 ARG 49 11.988 -11.873 -4.381 310 HH12 ARG 49 2HH1 ARG 49 13.015 -13.161 -4.867 311 HH21 ARG 49 1HH2 ARG 49 11.131 -15.748 -3.412 312 HH22 ARG 49 2HH2 ARG 49 12.671 -15.322 -4.065 313 H ALA 50 H ALA 50 5.180 -12.748 -5.440 314 HA ALA 50 HA ALA 50 5.319 -10.429 -7.068 315 HB1 ALA 50 1HB ALA 50 4.232 -11.859 -8.800 316 HB2 ALA 50 2HB ALA 50 5.394 -12.849 -7.885 317 HB3 ALA 50 3HB ALA 50 3.664 -12.983 -7.545 318 H TYR 51 H TYR 51 2.619 -11.833 -5.294 319 HA TYR 51 HA TYR 51 0.540 -10.095 -6.203 320 HB3 TYR 51 2HB TYR 51 1.021 -11.456 -3.512 321 HD1 TYR 51 2HD TYR 51 -1.835 -10.940 -5.920 322 HD2 TYR 51 1HD TYR 51 -0.471 -10.663 -1.815 323 HE1 TYR 51 2HE TYR 51 -4.104 -10.369 -5.177 324 HE2 TYR 51 1HE TYR 51 -2.651 -10.152 -1.090 325 HH TYR 51 HH TYR 51 -4.822 -9.198 -1.988 326 H ALA 52 H ALA 52 2.815 -9.871 -3.426 327 HA ALA 52 HA ALA 52 1.883 -7.402 -2.383 328 HB1 ALA 52 1HB ALA 52 4.669 -8.668 -2.222 329 HB2 ALA 52 2HB ALA 52 4.003 -7.442 -1.111 330 HB3 ALA 52 3HB ALA 52 3.290 -9.060 -1.139 331 H LEU 53 H LEU 53 4.405 -8.100 -4.754 332 HA LEU 53 HA LEU 53 5.756 -5.644 -4.736 333 HB3 LEU 53 2HB LEU 53 6.379 -6.386 -7.179 334 HG LEU 53 HG LEU 53 6.807 -8.018 -4.670 335 HD11 LEU 53 1HD1 LEU 53 7.017 -9.700 -6.172 336 HD12 LEU 53 2HD1 LEU 53 8.644 -9.218 -5.768 337 HD13 LEU 53 3HD1 LEU 53 7.953 -8.719 -7.343 338 HD21 LEU 53 3HD2 LEU 53 8.760 -6.395 -6.375 339 HD22 LEU 53 1HD2 LEU 53 9.077 -7.085 -4.775 340 HD23 LEU 53 2HD2 LEU 53 7.941 -5.743 -4.935 341 H THR 54 H THR 54 2.660 -6.388 -6.054 342 HA THR 54 HA THR 54 2.468 -3.696 -7.281 343 HB THR 54 HB THR 54 2.160 -4.786 -9.156 344 HG1 THR 54 1HG THR 54 -0.264 -5.913 -8.471 345 HG21 THR 54 3HG2 THR 54 1.422 -7.167 -9.423 346 HG22 THR 54 1HG2 THR 54 1.425 -7.326 -7.672 347 HG23 THR 54 2HG2 THR 54 2.935 -6.961 -8.545 348 H VAL 55 H VAL 55 0.109 -6.181 -6.186 349 HA VAL 55 HA VAL 55 -1.935 -5.874 -5.477 350 HB VAL 55 HB VAL 55 -0.497 -6.539 -3.630 351 HG11 VAL 55 1HG1 VAL 55 0.783 -4.557 -3.162 352 HG12 VAL 55 2HG1 VAL 55 -0.691 -3.655 -2.752 353 HG13 VAL 55 3HG1 VAL 55 -0.134 -4.995 -1.724 354 HG21 VAL 55 3HG2 VAL 55 -2.199 -6.517 -1.995 355 HG22 VAL 55 1HG2 VAL 55 -2.954 -5.076 -2.657 356 HG23 VAL 55 2HG2 VAL 55 -2.964 -6.614 -3.557 357 H VAL 56 H VAL 56 -1.247 -3.455 -7.142 358 HA VAL 56 HA VAL 56 -2.926 -1.464 -5.891 359 HB VAL 56 HB VAL 56 -2.047 -0.136 -7.857 360 HG11 VAL 56 1HG1 VAL 56 -0.310 -1.051 -5.520 361 HG12 VAL 56 2HG1 VAL 56 0.071 0.347 -6.557 362 HG13 VAL 56 3HG1 VAL 56 -1.397 0.345 -5.567 363 HG21 VAL 56 3HG2 VAL 56 0.157 -2.205 -7.783 364 HG22 VAL 56 1HG2 VAL 56 -1.013 -1.998 -9.119 365 HG23 VAL 56 2HG2 VAL 56 0.119 -0.693 -8.687 366 H THR 57 H THR 57 -4.838 -1.141 -6.445 367 HA THR 57 HA THR 57 -5.884 -1.355 -9.068 368 HB THR 57 HB THR 57 -6.166 -3.698 -8.373 369 HG1 THR 57 1HG THR 57 -7.871 -3.467 -9.529 370 HG21 THR 57 3HG2 THR 57 -7.630 -4.331 -6.512 371 HG22 THR 57 1HG2 THR 57 -7.841 -2.624 -6.069 372 HG23 THR 57 2HG2 THR 57 -6.257 -3.403 -5.912 373 H SER 58 H SER 58 -8.545 -0.828 -8.358 374 HA SER 58 HA SER 58 -8.125 1.880 -7.216 375 HB3 SER 58 2HB SER 58 -9.786 2.562 -8.763 376 HG SER 58 HG SER 58 -8.188 2.247 -10.086 377 H ASP 59 H ASP 59 -8.301 1.092 -5.010 378 HA ASP 59 HA ASP 59 -10.475 -0.578 -4.230 379 HB3 ASP 59 2HB ASP 59 -8.301 -0.692 -3.133 380 H PHE 60 H PHE 60 -12.410 0.155 -4.538 381 HA PHE 60 HA PHE 60 -14.358 1.244 -4.337 382 HB3 PHE 60 2HB PHE 60 -14.786 2.524 -2.174 383 HD1 PHE 60 1HD PHE 60 -16.632 0.947 -2.371 384 HD2 PHE 60 2HD PHE 60 -12.760 -0.326 -0.962 385 HE1 PHE 60 1HE PHE 60 -17.651 -1.047 -1.385 386 HE2 PHE 60 2HE PHE 60 -13.823 -2.382 0.046 387 HZ PHE 60 HZ PHE 60 -16.267 -2.713 -0.150 388 H ASP 61 H ASP 61 -12.957 2.257 -6.195 389 HA ASP 61 HA ASP 61 -12.297 5.073 -5.806 390 HB3 ASP 61 2HB ASP 61 -11.877 4.591 -8.453 391 H GLU 62 H GLU 62 -14.271 5.862 -5.298 392 HA GLU 62 HA GLU 62 -16.115 6.986 -5.560 393 HB3 GLU 62 2HB GLU 62 -16.782 7.383 -8.229 394 HG3 GLU 62 2HG GLU 62 -14.610 8.925 -6.783 395 HA PRO 63 HA PRO 63 -19.149 4.174 -5.422 396 HB3 PRO 63 2HB PRO 63 -20.217 5.899 -4.330 397 HG3 PRO 63 2HG PRO 63 -20.554 8.035 -5.362 398 HD3 PRO 63 2HD PRO 63 -18.245 7.675 -5.378 399 H GLY 64 H GLY 64 -18.226 3.392 -7.688 400 HA2 GLY 64 1HA GLY 64 -20.521 2.148 -8.982 401 HA3 GLY 64 2HA GLY 64 -19.715 3.332 -10.017 402 H ASP 65 H ASP 65 -17.369 1.915 -7.979 403 HA ASP 65 HA ASP 65 -16.564 0.037 -10.132 404 HB3 ASP 65 2HB ASP 65 -14.219 1.286 -9.234 405 H GLU 66 H GLU 66 -17.779 -0.434 -7.495 406 HA GLU 66 HA GLU 66 -15.962 -1.189 -5.490 407 HB3 GLU 66 2HB GLU 66 -17.856 -2.484 -4.576 408 HG3 GLU 66 2HG GLU 66 -18.883 0.140 -5.723 409 H ASP 67 H ASP 67 -15.931 -2.614 -8.426 410 HA ASP 67 HA ASP 67 -16.217 -5.378 -8.012 411 HB3 ASP 67 2HB ASP 67 -14.356 -4.175 -10.068 412 H VAL 68 H VAL 68 -13.526 -3.242 -7.202 413 HA VAL 68 HA VAL 68 -11.483 -5.206 -6.790 414 HB VAL 68 HB VAL 68 -12.103 -2.623 -5.278 415 HG11 VAL 68 1HG1 VAL 68 -10.685 -3.945 -3.835 416 HG12 VAL 68 2HG1 VAL 68 -9.623 -4.384 -5.187 417 HG13 VAL 68 3HG1 VAL 68 -9.683 -2.709 -4.588 418 HG21 VAL 68 3HG2 VAL 68 -10.129 -1.827 -6.696 419 HG22 VAL 68 1HG2 VAL 68 -10.340 -3.301 -7.653 420 HG23 VAL 68 2HG2 VAL 68 -11.644 -2.100 -7.563 421 H PHE 69 H PHE 69 -14.184 -4.155 -4.687 422 HA PHE 69 HA PHE 69 -13.450 -5.929 -2.490 423 HB3 PHE 69 2HB PHE 69 -15.780 -4.129 -3.147 424 HD1 PHE 69 1HD PHE 69 -14.987 -5.537 0.180 425 HD2 PHE 69 2HD PHE 69 -17.708 -5.618 -3.168 426 HE1 PHE 69 1HE PHE 69 -16.665 -6.751 1.543 427 HE2 PHE 69 2HE PHE 69 -19.414 -6.713 -1.756 428 HZ PHE 69 HZ PHE 69 -18.890 -7.306 0.591 429 H ARG 70 H ARG 70 -15.619 -6.035 -5.337 430 HA ARG 70 HA ARG 70 -16.952 -8.437 -4.759 431 HB3 ARG 70 2HB ARG 70 -15.989 -7.526 -7.493 432 HG3 ARG 70 2HG ARG 70 -16.998 -9.796 -7.467 433 HD3 ARG 70 2HD ARG 70 -19.680 -8.383 -7.149 434 HE ARG 70 HE ARG 70 -19.184 -10.990 -7.634 435 HH11 ARG 70 1HH1 ARG 70 -20.708 -9.326 -4.894 436 HH12 ARG 70 2HH1 ARG 70 -21.289 -10.801 -4.173 437 HH21 ARG 70 1HH2 ARG 70 -20.001 -12.839 -6.754 438 HH22 ARG 70 2HH2 ARG 70 -20.830 -12.902 -5.219 439 H LYS 71 H LYS 71 -13.940 -8.047 -6.588 440 HA LYS 71 HA LYS 71 -13.385 -10.842 -6.827 441 HB3 LYS 71 2HB LYS 71 -10.957 -9.847 -7.151 442 HG3 LYS 71 2HG LYS 71 -12.089 -10.580 -9.096 443 HD3 LYS 71 2HD LYS 71 -13.996 -8.268 -8.669 444 HE3 LYS 71 2HE LYS 71 -13.177 -7.911 -10.904 445 HZ1 LYS 71 3HZ LYS 71 -12.547 -10.084 -11.677 446 HZ2 LYS 71 1HZ LYS 71 -13.852 -9.556 -12.553 447 HZ3 LYS 71 2HZ LYS 71 -14.040 -10.697 -11.358 448 H LEU 72 H LEU 72 -12.156 -8.395 -4.463 449 HA LEU 72 HA LEU 72 -10.435 -10.200 -3.136 450 HB3 LEU 72 2HB LEU 72 -11.038 -8.610 -1.050 451 HG LEU 72 HG LEU 72 -9.420 -7.891 -3.512 452 HD11 LEU 72 1HD1 LEU 72 -9.503 -6.311 -0.901 453 HD12 LEU 72 2HD1 LEU 72 -10.223 -5.792 -2.443 454 HD13 LEU 72 3HD1 LEU 72 -8.474 -6.000 -2.311 455 HD21 LEU 72 3HD2 LEU 72 -8.590 -8.635 -0.649 456 HD22 LEU 72 1HD2 LEU 72 -7.498 -8.285 -1.993 457 HD23 LEU 72 2HD2 LEU 72 -8.526 -9.721 -2.055 458 H ALA 73 H ALA 73 -13.904 -9.476 -2.317 459 HA ALA 73 HA ALA 73 -13.960 -11.323 -0.119 460 HB1 ALA 73 1HB ALA 73 -16.109 -10.202 -1.928 461 HB2 ALA 73 2HB ALA 73 -16.454 -11.160 -0.472 462 HB3 ALA 73 3HB ALA 73 -15.665 -9.582 -0.327 463 H ALA 74 H ALA 74 -14.687 -11.753 -3.634 464 HA ALA 74 HA ALA 74 -15.771 -14.395 -3.335 465 HB1 ALA 74 1HB ALA 74 -14.441 -13.070 -5.731 466 HB2 ALA 74 2HB ALA 74 -15.437 -14.542 -5.773 467 HB3 ALA 74 3HB ALA 74 -16.178 -12.999 -5.311 468 H ASP 75 H ASP 75 -12.467 -13.170 -3.518 469 HA ASP 75 HA ASP 75 -11.306 -15.860 -3.837 470 HB3 ASP 75 2HB ASP 75 -9.396 -13.814 -3.022 471 H LEU 76 H LEU 76 -11.821 -13.439 -1.319 472 HA LEU 76 HA LEU 76 -10.604 -15.097 0.776 473 HB3 LEU 76 2HB LEU 76 -11.154 -13.169 2.236 474 HG LEU 76 HG LEU 76 -9.706 -12.315 -0.318 475 HD11 LEU 76 1HD1 LEU 76 -9.604 -11.110 2.471 476 HD12 LEU 76 2HD1 LEU 76 -10.463 -10.409 1.081 477 HD13 LEU 76 3HD1 LEU 76 -8.701 -10.574 1.045 478 HD21 LEU 76 3HD2 LEU 76 -8.702 -13.544 2.258 479 HD22 LEU 76 1HD2 LEU 76 -7.653 -12.779 1.037 480 HD23 LEU 76 2HD2 LEU 76 -8.582 -14.223 0.623 481 H GLU 77 H GLU 77 -12.686 -16.310 -0.600 482 HA GLU 77 HA GLU 77 -15.244 -16.205 0.650 483 HB3 GLU 77 2HB GLU 77 -13.788 -18.434 -0.838 484 HG3 GLU 77 2HG GLU 77 -16.776 -18.016 -0.466 485 H GLY 78 H GLY 78 -15.293 -16.353 2.780 486 HA2 GLY 78 1HA GLY 78 -15.466 -17.588 4.799 487 HA3 GLY 78 2HA GLY 78 -14.364 -18.804 4.143 488 H LYS 79 H LYS 79 -13.149 -15.642 3.637 489 HA LYS 79 HA LYS 79 -11.402 -15.876 6.061 490 HB3 LYS 79 2HB LYS 79 -9.454 -15.355 4.717 491 HG3 LYS 79 2HG LYS 79 -10.803 -17.787 4.623 492 HD3 LYS 79 2HD LYS 79 -11.313 -17.243 2.178 493 HE3 LYS 79 2HE LYS 79 -8.316 -17.717 2.019 494 HZ1 LYS 79 3HZ LYS 79 -9.281 -19.235 0.566 495 HZ2 LYS 79 1HZ LYS 79 -8.829 -17.994 -0.424 496 HZ3 LYS 79 2HZ LYS 79 -10.387 -18.225 -0.039 497 H ALA 80 H ALA 80 -13.419 -13.807 4.271 498 HA ALA 80 HA ALA 80 -12.689 -11.668 6.119 499 HB1 ALA 80 1HB ALA 80 -12.412 -9.930 4.429 500 HB2 ALA 80 2HB ALA 80 -11.210 -11.198 4.169 501 HB3 ALA 80 3HB ALA 80 -12.648 -11.115 3.121 502 H ASP 81 H ASP 81 -14.212 -9.760 5.792 503 HA ASP 81 HA ASP 81 -16.974 -10.807 5.432 504 HB3 ASP 81 2HB ASP 81 -17.684 -9.358 7.202 505 H GLU 82 H GLU 82 -18.588 -9.106 5.096 506 HA GLU 82 HA GLU 82 -18.178 -7.493 2.889 507 HB3 GLU 82 2HB GLU 82 -20.421 -6.406 3.939 508 HG3 GLU 82 2HG GLU 82 -20.001 -9.179 2.777 509 H GLU 83 H GLU 83 -17.824 -6.574 6.297 510 HA GLU 83 HA GLU 83 -17.033 -3.833 5.415 511 HB3 GLU 83 2HB GLU 83 -18.793 -4.182 7.151 512 HG3 GLU 83 2HG GLU 83 -16.661 -4.528 9.231 513 H THR 84 H THR 84 -15.561 -6.793 6.608 514 HA THR 84 HA THR 84 -13.315 -5.596 7.911 515 HB THR 84 HB THR 84 -13.949 -8.332 6.829 516 HG1 THR 84 1HG THR 84 -14.883 -7.714 8.878 517 HG21 THR 84 3HG2 THR 84 -11.981 -9.257 7.955 518 HG22 THR 84 1HG2 THR 84 -11.372 -7.607 8.220 519 HG23 THR 84 2HG2 THR 84 -11.532 -8.253 6.570 520 H ILE 85 H ILE 85 -13.790 -6.407 4.460 521 HA ILE 85 HA ILE 85 -10.978 -6.091 3.788 522 HB ILE 85 HB ILE 85 -13.303 -5.847 1.839 523 HG13 ILE 85 2HG1 ILE 85 -13.315 -8.089 3.298 524 HG21 ILE 85 1HG2 ILE 85 -11.705 -6.578 0.195 525 HG22 ILE 85 2HG2 ILE 85 -11.027 -5.213 1.085 526 HG23 ILE 85 3HG2 ILE 85 -10.469 -6.853 1.444 527 HD11 ILE 85 3HD1 ILE 85 -14.705 -7.919 1.360 528 HD12 ILE 85 1HD1 ILE 85 -13.319 -8.203 0.271 529 HD13 ILE 85 2HD1 ILE 85 -13.874 -9.477 1.381 530 H ARG 86 H ARG 86 -13.975 -4.164 3.315 531 HA ARG 86 HA ARG 86 -12.715 -1.924 2.145 532 HB3 ARG 86 2HB ARG 86 -15.226 -2.511 2.291 533 HG3 ARG 86 2HG ARG 86 -15.145 -2.087 4.936 534 HD3 ARG 86 2HD ARG 86 -16.111 0.574 3.949 535 HE ARG 86 HE ARG 86 -15.771 -0.689 6.574 536 HH11 ARG 86 1HH1 ARG 86 -16.421 2.358 4.832 537 HH12 ARG 86 2HH1 ARG 86 -16.482 3.304 6.277 538 HH21 ARG 86 1HH2 ARG 86 -16.344 0.463 8.450 539 HH22 ARG 86 2HH2 ARG 86 -17.012 2.069 8.310 540 H ALA 87 H ALA 87 -13.133 -2.696 5.561 541 HA ALA 87 HA ALA 87 -12.240 -0.178 6.515 542 HB1 ALA 87 1HB ALA 87 -12.192 -2.936 7.830 543 HB2 ALA 87 2HB ALA 87 -11.959 -1.390 8.665 544 HB3 ALA 87 3HB ALA 87 -13.517 -1.756 7.911 545 H LYS 88 H LYS 88 -10.446 -3.143 5.418 546 HA LYS 88 HA LYS 88 -8.286 -2.752 7.225 547 HB3 LYS 88 2HB LYS 88 -7.917 -4.235 4.605 548 HG3 LYS 88 2HG LYS 88 -6.242 -4.270 6.562 549 HD3 LYS 88 2HD LYS 88 -8.005 -4.626 8.387 550 HE3 LYS 88 2HE LYS 88 -7.976 -7.446 7.209 551 HZ1 LYS 88 3HZ LYS 88 -9.288 -8.083 8.984 552 HZ2 LYS 88 1HZ LYS 88 -9.567 -6.554 9.532 553 HZ3 LYS 88 2HZ LYS 88 -8.091 -7.246 9.715 554 H MET 89 H MET 89 -8.683 -2.039 3.761 555 HA MET 89 HA MET 89 -6.087 -0.944 3.427 556 HB3 MET 89 2HB MET 89 -6.996 -1.642 1.579 557 HG3 MET 89 2HG MET 89 -9.205 -0.393 0.632 558 HE1 MET 89 3HE MET 89 -11.579 -2.666 0.638 559 HE2 MET 89 1HE MET 89 -10.762 -1.737 -0.634 560 HE3 MET 89 2HE MET 89 -10.818 -3.510 -0.717 561 H VAL 90 H VAL 90 -9.130 0.680 4.156 562 HA VAL 90 HA VAL 90 -8.088 3.352 4.178 563 HB VAL 90 HB VAL 90 -10.503 2.163 5.606 564 HG11 VAL 90 1HG1 VAL 90 -9.867 5.081 4.950 565 HG12 VAL 90 2HG1 VAL 90 -11.415 4.472 5.586 566 HG13 VAL 90 3HG1 VAL 90 -9.964 4.362 6.581 567 HG21 VAL 90 3HG2 VAL 90 -11.768 3.044 3.701 568 HG22 VAL 90 1HG2 VAL 90 -10.276 3.589 2.922 569 HG23 VAL 90 2HG2 VAL 90 -10.594 1.857 3.144 570 H GLU 91 H GLU 91 -8.336 0.867 6.756 571 HA GLU 91 HA GLU 91 -7.702 2.485 8.924 572 HB3 GLU 91 2HB GLU 91 -7.227 -0.475 8.403 573 HG3 GLU 91 2HG GLU 91 -7.216 1.141 10.965 574 H LEU 92 H LEU 92 -5.612 1.126 6.489 575 HA LEU 92 HA LEU 92 -3.238 1.115 8.164 576 HB3 LEU 92 2HB LEU 92 -2.212 0.220 5.987 577 HG LEU 92 HG LEU 92 -4.569 -1.147 7.322 578 HD11 LEU 92 1HD1 LEU 92 -2.687 -2.436 5.318 579 HD12 LEU 92 2HD1 LEU 92 -4.354 -1.962 4.944 580 HD13 LEU 92 3HD1 LEU 92 -4.030 -3.201 6.166 581 HD21 LEU 92 3HD2 LEU 92 -2.605 -0.946 8.727 582 HD22 LEU 92 1HD2 LEU 92 -1.575 -1.640 7.449 583 HD23 LEU 92 2HD2 LEU 92 -2.817 -2.629 8.233 584 H ARG 93 H ARG 93 -4.631 3.801 6.925 585 HA ARG 93 HA ARG 93 -2.583 5.073 5.443 586 HB3 ARG 93 2HB ARG 93 -3.255 7.229 6.460 587 HG3 ARG 93 2HG ARG 93 -5.804 5.768 5.720 588 HD3 ARG 93 2HD ARG 93 -4.853 8.667 5.487 589 HE ARG 93 HE ARG 93 -6.729 8.868 4.247 590 HH11 ARG 93 1HH1 ARG 93 -7.584 6.783 6.995 591 HH12 ARG 93 2HH1 ARG 93 -9.281 7.011 6.784 592 HH21 ARG 93 1HH2 ARG 93 -8.929 9.134 3.969 593 HH22 ARG 93 2HH2 ARG 93 -10.064 8.410 5.085 594 H ALA 94 H ALA 94 -2.918 4.872 9.011 595 HA ALA 94 HA ALA 94 -0.627 6.244 9.817 596 HB1 ALA 94 1HB ALA 94 -0.814 4.888 11.888 597 HB2 ALA 94 2HB ALA 94 -2.384 5.518 11.365 598 HB3 ALA 94 3HB ALA 94 -1.975 3.813 11.091 599 H THR 95 H THR 95 -0.862 2.636 9.661 600 HA THR 95 HA THR 95 1.700 1.951 9.883 601 HB THR 95 HB THR 95 -0.251 0.637 7.946 602 HG1 THR 95 1HG THR 95 -0.810 -0.382 10.179 603 HG21 THR 95 3HG2 THR 95 1.758 -0.551 9.908 604 HG22 THR 95 1HG2 THR 95 1.930 -0.483 8.144 605 HG23 THR 95 2HG2 THR 95 0.653 -1.464 8.859 606 H ALA 96 H ALA 96 0.073 2.652 6.756 607 HA ALA 96 HA ALA 96 2.240 2.131 5.049 608 HB1 ALA 96 1HB ALA 96 -0.075 4.083 4.666 609 HB2 ALA 96 2HB ALA 96 0.905 3.361 3.362 610 HB3 ALA 96 3HB ALA 96 -0.138 2.348 4.338 611 H ARG 97 H ARG 97 1.572 5.143 6.971 612 HA ARG 97 HA ARG 97 3.508 6.723 5.501 613 HB3 ARG 97 2HB ARG 97 2.006 7.038 8.110 614 HG3 ARG 97 2HG ARG 97 4.640 8.335 7.366 615 HD3 ARG 97 2HD ARG 97 3.203 10.213 7.686 616 HE ARG 97 HE ARG 97 2.143 8.770 10.024 617 HH11 ARG 97 1HH1 ARG 97 2.798 11.978 8.648 618 HH12 ARG 97 2HH1 ARG 97 1.459 12.742 9.459 619 HH21 ARG 97 1HH2 ARG 97 0.494 9.849 11.238 620 HH22 ARG 97 2HH2 ARG 97 0.126 11.509 10.913 621 H GLU 98 H GLU 98 3.612 4.800 8.615 622 HA GLU 98 HA GLU 98 6.291 5.525 8.969 623 HB3 GLU 98 2HB GLU 98 6.072 3.423 10.539 624 HG3 GLU 98 2HG GLU 98 4.346 5.817 11.198 625 H GLN 99 H GLN 99 4.862 2.757 7.237 626 HA GLN 99 HA GLN 99 7.118 1.137 6.993 627 HB3 GLN 99 2HB GLN 99 6.345 0.546 4.738 628 HG3 GLN 99 2HG GLN 99 3.927 0.576 6.549 629 HE21 GLN 99 1HE2 GLN 99 3.737 -2.113 7.071 630 HE22 GLN 99 2HE2 GLN 99 3.646 -2.993 5.572 631 H ILE 100 H ILE 100 6.390 3.974 4.842 632 HA ILE 100 HA ILE 100 8.800 3.889 3.376 633 HB ILE 100 HB ILE 100 7.159 6.263 4.287 634 HG13 ILE 100 2HG1 ILE 100 5.970 6.218 2.237 635 HG21 ILE 100 1HG2 ILE 100 9.181 7.230 3.592 636 HG22 ILE 100 2HG2 ILE 100 9.336 6.169 2.168 637 HG23 ILE 100 3HG2 ILE 100 8.105 7.443 2.202 638 HD11 ILE 100 3HD1 ILE 100 7.554 5.611 0.545 639 HD12 ILE 100 1HD1 ILE 100 7.889 4.044 1.319 640 HD13 ILE 100 2HD1 ILE 100 6.329 4.347 0.541 641 H ILE 101 H ILE 101 8.123 5.519 6.477 642 HA ILE 101 HA ILE 101 10.691 6.850 6.660 643 HB ILE 101 HB ILE 101 8.631 6.238 8.836 644 HG13 ILE 101 2HG1 ILE 101 7.594 7.500 6.942 645 HG21 ILE 101 1HG2 ILE 101 9.600 8.045 10.110 646 HG22 ILE 101 2HG2 ILE 101 10.925 7.011 9.637 647 HG23 ILE 101 3HG2 ILE 101 10.660 8.516 8.758 648 HD11 ILE 101 3HD1 ILE 101 8.046 9.446 9.221 649 HD12 ILE 101 1HD1 ILE 101 6.734 9.432 8.045 650 HD13 ILE 101 2HD1 ILE 101 6.851 8.123 9.245 651 H SER 102 H SER 102 9.569 3.667 7.193 652 HA SER 102 HA SER 102 11.899 2.945 8.857 653 HB3 SER 102 2HB SER 102 9.347 1.352 8.575 654 HG SER 102 HG SER 102 9.931 1.171 10.917 655 H GLU 103 H GLU 103 11.465 3.169 5.786 656 HA GLU 103 HA GLU 103 12.727 0.577 5.025 657 HB3 GLU 103 2HB GLU 103 11.601 1.048 2.760 658 HG3 GLU 103 2HG GLU 103 9.802 0.212 5.056 659 H ILE 104 H ILE 104 13.740 3.349 5.828 660 HA ILE 104 HA ILE 104 14.872 4.659 3.573 661 HB ILE 104 HB ILE 104 15.971 4.476 6.410 662 HG13 ILE 104 2HG1 ILE 104 14.696 6.468 6.980 663 HG21 ILE 104 1HG2 ILE 104 17.568 5.462 4.796 664 HG22 ILE 104 2HG2 ILE 104 16.367 6.668 4.317 665 HG23 ILE 104 3HG2 ILE 104 17.027 6.634 5.974 666 HD11 ILE 104 3HD1 ILE 104 13.482 6.215 4.195 667 HD12 ILE 104 1HD1 ILE 104 12.708 7.069 5.516 668 HD13 ILE 104 2HD1 ILE 104 14.280 7.633 4.899 Start of MODEL 14 1 H1 MET 1 H MET 1 5.595 -1.222 -13.331 2 HA MET 1 HA MET 1 5.998 0.911 -14.438 3 HB3 MET 1 2HB MET 1 5.185 2.968 -13.313 4 HG3 MET 1 2HG MET 1 2.745 1.323 -14.001 5 HE1 MET 1 3HE MET 1 0.847 2.632 -15.572 6 HE2 MET 1 1HE MET 1 1.114 4.292 -16.143 7 HE3 MET 1 2HE MET 1 2.196 2.989 -16.681 8 H THR 2 H THR 2 8.078 1.423 -13.958 9 HA THR 2 HA THR 2 9.996 1.610 -12.977 10 HB THR 2 HB THR 2 10.029 3.187 -10.997 11 HG1 THR 2 1HG THR 2 7.991 2.882 -10.127 12 HG21 THR 2 3HG2 THR 2 10.255 3.991 -13.276 13 HG22 THR 2 1HG2 THR 2 9.280 5.115 -12.330 14 HG23 THR 2 2HG2 THR 2 8.485 4.017 -13.473 15 H THR 3 H THR 3 11.399 1.493 -10.825 16 HA THR 3 HA THR 3 10.515 -0.739 -9.110 17 HB THR 3 HB THR 3 13.353 -0.787 -10.076 18 HG1 THR 3 1HG THR 3 13.018 -1.688 -11.891 19 HG21 THR 3 3HG2 THR 3 13.085 -3.188 -9.778 20 HG22 THR 3 1HG2 THR 3 11.337 -3.008 -9.540 21 HG23 THR 3 2HG2 THR 3 12.461 -2.361 -8.338 22 H PHE 4 H PHE 4 10.214 0.802 -7.415 23 HA PHE 4 HA PHE 4 12.669 1.985 -6.354 24 HB3 PHE 4 2HB PHE 4 11.322 4.031 -5.783 25 HD1 PHE 4 1HD PHE 4 13.746 4.068 -6.782 26 HD2 PHE 4 2HD PHE 4 10.119 4.312 -9.078 27 HE1 PHE 4 1HE PHE 4 15.025 5.017 -8.692 28 HE2 PHE 4 2HE PHE 4 11.408 5.278 -10.988 29 HZ PHE 4 HZ PHE 4 13.869 5.529 -10.806 30 H ASP 5 H ASP 5 12.921 1.459 -4.344 31 HA ASP 5 HA ASP 5 11.001 0.734 -2.380 32 HB3 ASP 5 2HB ASP 5 10.677 -1.088 -4.141 33 H ASP 6 H ASP 6 12.647 -1.069 -1.029 34 HA ASP 6 HA ASP 6 14.391 -1.146 0.393 35 HB3 ASP 6 2HB ASP 6 16.153 0.089 -1.736 36 H ARG 7 H ARG 7 16.607 0.711 0.873 37 HA ARG 7 HA ARG 7 15.099 2.994 2.041 38 HB3 ARG 7 2HB ARG 7 17.563 3.589 2.720 39 HG3 ARG 7 2HG ARG 7 16.174 1.135 3.850 40 HD3 ARG 7 2HD ARG 7 18.556 1.424 4.609 41 HE ARG 7 HE ARG 7 17.681 4.153 5.084 42 HH11 ARG 7 1HH1 ARG 7 20.063 1.670 6.092 43 HH12 ARG 7 2HH1 ARG 7 21.195 2.845 6.661 44 HH21 ARG 7 1HH2 ARG 7 19.206 5.667 5.962 45 HH22 ARG 7 2HH2 ARG 7 20.706 5.054 6.619 46 H GLU 8 H GLU 8 15.543 5.149 1.469 47 HA GLU 8 HA GLU 8 16.545 5.526 -1.289 48 HB3 GLU 8 2HB GLU 8 15.169 7.443 0.654 49 HG3 GLU 8 2HG GLU 8 16.387 8.486 -1.364 50 H ARG 9 H ARG 9 16.803 7.819 1.446 51 HA ARG 9 HA ARG 9 19.764 7.931 1.215 52 HB3 ARG 9 2HB ARG 9 19.523 10.446 0.721 53 HG3 ARG 9 2HG ARG 9 18.856 8.356 -1.359 54 HD3 ARG 9 2HD ARG 9 17.861 10.344 -2.190 55 HE ARG 9 HE ARG 9 20.317 11.641 -1.303 56 HH11 ARG 9 1HH1 ARG 9 17.549 11.933 -3.564 57 HH12 ARG 9 2HH1 ARG 9 17.616 13.666 -3.602 58 HH21 ARG 9 1HH2 ARG 9 20.465 13.865 -1.481 59 HH22 ARG 9 2HH2 ARG 9 19.287 14.792 -2.360 60 H ALA 10 H ALA 10 17.539 10.475 2.294 61 HA ALA 10 HA ALA 10 17.382 9.636 5.052 62 HB1 ALA 10 1HB ALA 10 18.652 11.574 6.019 63 HB2 ALA 10 2HB ALA 10 19.705 10.424 5.189 64 HB3 ALA 10 3HB ALA 10 19.278 11.951 4.400 65 H HIS 11 H HIS 11 15.197 9.923 4.410 66 HA HIS 11 HA HIS 11 14.268 12.510 3.521 67 HB3 HIS 11 2HB HIS 11 13.356 10.514 2.646 68 HD1 HIS 11 1HD HIS 11 11.734 8.312 2.842 69 HD2 HIS 11 2HD HIS 11 13.330 10.000 6.375 70 HE1 HIS 11 1HE HIS 11 11.351 6.642 4.669 71 H GLU 12 H GLU 12 15.513 12.844 6.139 72 HA GLU 12 HA GLU 12 13.437 12.871 8.150 73 HB3 GLU 12 2HB GLU 12 15.457 12.490 9.102 74 HG3 GLU 12 2HG GLU 12 16.602 14.801 7.506 75 H ALA 13 H ALA 13 15.296 15.884 7.459 76 HA ALA 13 HA ALA 13 12.918 17.474 7.814 77 HB1 ALA 13 1HB ALA 13 15.713 18.187 6.811 78 HB2 ALA 13 2HB ALA 13 14.443 19.359 7.214 79 HB3 ALA 13 3HB ALA 13 15.115 18.312 8.481 80 H LYS 14 H LYS 14 14.128 15.789 5.185 81 HA LYS 14 HA LYS 14 13.565 17.358 2.954 82 HB3 LYS 14 2HB LYS 14 13.142 15.091 1.803 83 HG3 LYS 14 2HG LYS 14 15.517 14.271 2.203 84 HD3 LYS 14 2HD LYS 14 15.095 17.214 1.486 85 HE3 LYS 14 2HE LYS 14 17.385 15.323 0.995 86 HZ1 LYS 14 3HZ LYS 14 16.731 16.067 -1.139 87 HZ2 LYS 14 1HZ LYS 14 18.079 16.921 -0.728 88 HZ3 LYS 14 2HZ LYS 14 16.542 17.593 -0.695 89 H PHE 15 H PHE 15 11.234 15.850 5.060 90 HA PHE 15 HA PHE 15 9.033 15.682 3.266 91 HB3 PHE 15 2HB PHE 15 7.877 16.187 5.671 92 HD1 PHE 15 1HD PHE 15 10.080 13.476 4.093 93 HD2 PHE 15 2HD PHE 15 6.445 14.510 6.196 94 HE1 PHE 15 1HE PHE 15 9.450 11.087 4.219 95 HE2 PHE 15 2HE PHE 15 5.751 12.162 6.134 96 HZ PHE 15 HZ PHE 15 7.241 10.412 5.238 97 H ALA 16 H ALA 16 10.570 18.528 4.604 98 HA ALA 16 HA ALA 16 8.517 20.133 3.178 99 HB1 ALA 16 1HB ALA 16 8.139 20.479 5.562 100 HB2 ALA 16 2HB ALA 16 9.861 20.869 5.806 101 HB3 ALA 16 3HB ALA 16 8.831 21.932 4.817 102 H HIS 17 H HIS 17 10.419 19.080 1.763 103 HA HIS 17 HA HIS 17 12.093 21.352 1.062 104 HB3 HIS 17 2HB HIS 17 13.790 18.974 1.177 105 HD1 HIS 17 1HD HIS 17 15.484 20.885 0.132 106 HD2 HIS 17 2HD HIS 17 13.954 21.500 4.011 107 HE1 HIS 17 1HE HIS 17 17.002 22.610 1.232 108 H ASP 18 H ASP 18 11.521 17.792 0.410 109 HA ASP 18 HA ASP 18 12.165 18.354 -2.465 110 HB3 ASP 18 2HB ASP 18 12.545 15.776 -2.377 111 H ALA 19 H ALA 19 10.542 18.214 -3.712 112 HA ALA 19 HA ALA 19 7.961 17.322 -3.301 113 HB1 ALA 19 1HB ALA 19 8.718 18.737 -5.190 114 HB2 ALA 19 2HB ALA 19 9.414 17.305 -5.972 115 HB3 ALA 19 3HB ALA 19 7.665 17.411 -5.712 116 H GLU 20 H GLU 20 10.719 15.384 -4.395 117 HA GLU 20 HA GLU 20 9.277 13.120 -5.347 118 HB3 GLU 20 2HB GLU 20 11.511 13.203 -5.991 119 HG3 GLU 20 2HG GLU 20 12.344 13.544 -3.077 120 H LEU 21 H LEU 21 10.731 13.737 -2.168 121 HA LEU 21 HA LEU 21 9.848 11.211 -1.044 122 HB3 LEU 21 2HB LEU 21 10.607 12.420 1.130 123 HG LEU 21 HG LEU 21 12.505 11.969 -1.231 124 HD11 LEU 21 1HD1 LEU 21 14.267 11.907 0.617 125 HD12 LEU 21 2HD1 LEU 21 13.054 12.718 1.641 126 HD13 LEU 21 3HD1 LEU 21 13.636 13.493 0.151 127 HD21 LEU 21 3HD2 LEU 21 13.082 9.918 0.188 128 HD22 LEU 21 1HD2 LEU 21 11.510 9.894 -0.588 129 HD23 LEU 21 2HD2 LEU 21 11.617 10.269 1.140 130 H ASN 22 H ASN 22 8.892 14.626 -0.704 131 HA ASN 22 HA ASN 22 6.503 14.457 0.583 132 HB3 ASN 22 2HB ASN 22 6.919 16.046 -1.934 133 HD21 ASN 22 1HD2 ASN 22 4.660 15.872 -2.370 134 HD22 ASN 22 2HD2 ASN 22 3.435 16.538 -1.301 135 H PHE 23 H PHE 23 6.839 13.591 -2.930 136 HA PHE 23 HA PHE 23 4.123 12.781 -3.159 137 HB3 PHE 23 2HB PHE 23 6.272 11.448 -4.811 138 HD1 PHE 23 1HD PHE 23 3.795 10.067 -4.841 139 HD2 PHE 23 2HD PHE 23 4.647 13.895 -6.666 140 HE1 PHE 23 1HE PHE 23 1.839 9.818 -6.305 141 HE2 PHE 23 2HE PHE 23 2.662 13.625 -8.124 142 HZ PHE 23 HZ PHE 23 1.268 11.575 -7.960 143 H LYS 24 H LYS 24 7.082 10.826 -2.473 144 HA LYS 24 HA LYS 24 5.884 8.298 -2.219 145 HB3 LYS 24 2HB LYS 24 7.831 8.394 -0.170 146 HG3 LYS 24 2HG LYS 24 9.404 7.841 -2.220 147 HD3 LYS 24 2HD LYS 24 8.035 5.599 -2.541 148 HE3 LYS 24 2HE LYS 24 8.885 6.138 0.326 149 HZ1 LYS 24 3HZ LYS 24 9.805 3.994 0.119 150 HZ2 LYS 24 1HZ LYS 24 9.614 3.959 -1.524 151 HZ3 LYS 24 2HZ LYS 24 8.311 3.861 -0.494 152 H ALA 25 H ALA 25 6.101 10.890 0.205 153 HA ALA 25 HA ALA 25 4.561 9.367 2.150 154 HB1 ALA 25 1HB ALA 25 5.101 11.322 3.586 155 HB2 ALA 25 2HB ALA 25 6.562 10.802 2.719 156 HB3 ALA 25 3HB ALA 25 5.641 12.218 2.166 157 H GLU 26 H GLU 26 3.634 11.536 -0.364 158 HA GLU 26 HA GLU 26 1.584 12.912 0.947 159 HB3 GLU 26 2HB GLU 26 1.394 11.978 -1.957 160 HG3 GLU 26 2HG GLU 26 0.075 13.991 -0.349 161 H ALA 27 H ALA 27 1.663 9.772 -0.481 162 HA ALA 27 HA ALA 27 -1.325 9.545 -0.222 163 HB1 ALA 27 1HB ALA 27 0.460 8.583 -2.489 164 HB2 ALA 27 2HB ALA 27 -1.263 8.176 -2.267 165 HB3 ALA 27 3HB ALA 27 -0.765 9.856 -2.521 166 H ARG 28 H ARG 28 1.041 7.034 -1.101 167 HA ARG 28 HA ARG 28 1.421 5.002 -0.198 168 HB3 ARG 28 2HB ARG 28 3.199 5.992 0.592 169 HG3 ARG 28 2HG ARG 28 2.261 8.158 1.457 170 HD3 ARG 28 2HD ARG 28 2.145 6.626 4.059 171 HE ARG 28 HE ARG 28 2.552 9.085 4.254 172 HH11 ARG 28 1HH1 ARG 28 -0.702 8.418 3.073 173 HH12 ARG 28 2HH1 ARG 28 -1.400 9.706 4.017 174 HH21 ARG 28 1HH2 ARG 28 1.640 10.936 5.097 175 HH22 ARG 28 2HH2 ARG 28 -0.098 11.065 5.270 176 H ARG 29 H ARG 29 -1.499 6.093 0.854 177 HA ARG 29 HA ARG 29 -1.883 4.218 3.032 178 HB3 ARG 29 2HB ARG 29 -3.991 5.075 3.296 179 HG3 ARG 29 2HG ARG 29 -3.007 7.427 1.681 180 HD3 ARG 29 2HD ARG 29 -3.994 8.719 3.520 181 HE ARG 29 HE ARG 29 -5.544 7.305 1.573 182 HH11 ARG 29 1HH1 ARG 29 -5.813 9.429 4.423 183 HH12 ARG 29 2HH1 ARG 29 -7.384 10.029 4.014 184 HH21 ARG 29 1HH2 ARG 29 -7.615 8.125 1.009 185 HH22 ARG 29 2HH2 ARG 29 -8.299 9.461 1.896 186 H ASN 30 H ASN 30 -1.435 3.484 -0.126 187 HA ASN 30 HA ASN 30 -3.226 1.119 0.097 188 HB3 ASN 30 2HB ASN 30 -3.621 1.170 -2.314 189 HD21 ASN 30 1HD2 ASN 30 -5.982 1.396 -2.134 190 HD22 ASN 30 2HD2 ASN 30 -6.635 2.870 -1.446 191 H ARG 31 H ARG 31 -0.056 2.456 -0.957 192 HA ARG 31 HA ARG 31 1.146 0.325 -2.190 193 HB3 ARG 31 2HB ARG 31 2.328 2.045 0.032 194 HG3 ARG 31 2HG ARG 31 4.470 1.836 -1.159 195 HD3 ARG 31 2HD ARG 31 3.774 -1.035 -0.524 196 HE ARG 31 HE ARG 31 5.982 0.082 0.863 197 HH11 ARG 31 1HH1 ARG 31 5.241 -1.305 -2.322 198 HH12 ARG 31 2HH1 ARG 31 6.860 -1.845 -2.579 199 HH21 ARG 31 1HH2 ARG 31 8.032 -0.644 0.553 200 HH22 ARG 31 2HH2 ARG 31 8.523 -1.416 -0.900 201 H LEU 32 H LEU 32 0.894 0.806 1.277 202 HA LEU 32 HA LEU 32 2.050 -1.516 2.134 203 HB3 LEU 32 2HB LEU 32 1.703 0.574 3.348 204 HG LEU 32 HG LEU 32 -0.937 -0.465 4.416 205 HD11 LEU 32 1HD1 LEU 32 -1.062 2.028 5.094 206 HD12 LEU 32 2HD1 LEU 32 0.586 2.178 4.497 207 HD13 LEU 32 3HD1 LEU 32 0.217 1.077 5.851 208 HD21 LEU 32 3HD2 LEU 32 -0.729 1.671 2.281 209 HD22 LEU 32 1HD2 LEU 32 -2.167 1.339 3.282 210 HD23 LEU 32 2HD2 LEU 32 -1.616 0.142 2.142 211 H LEU 33 H LEU 33 -1.063 -1.373 0.673 212 HA LEU 33 HA LEU 33 -2.494 -3.134 2.376 213 HB3 LEU 33 2HB LEU 33 -2.895 -2.425 -0.565 214 HG LEU 33 HG LEU 33 -4.416 -4.129 0.234 215 HD11 LEU 33 1HD1 LEU 33 -4.962 -2.123 2.442 216 HD12 LEU 33 2HD1 LEU 33 -4.607 -3.851 2.590 217 HD13 LEU 33 3HD1 LEU 33 -6.184 -3.331 1.997 218 HD21 LEU 33 3HD2 LEU 33 -6.521 -2.949 -0.376 219 HD22 LEU 33 1HD2 LEU 33 -5.175 -2.516 -1.433 220 HD23 LEU 33 2HD2 LEU 33 -5.686 -1.392 -0.163 221 H GLY 34 H GLY 34 -0.404 -3.561 -0.447 222 HA2 GLY 34 1HA GLY 34 -0.974 -6.329 -0.958 223 HA3 GLY 34 2HA GLY 34 0.513 -5.473 -1.386 224 H GLU 35 H GLU 35 1.187 -4.660 1.398 225 HA GLU 35 HA GLU 35 2.807 -6.877 2.016 226 HB3 GLU 35 2HB GLU 35 3.737 -5.623 3.724 227 HG3 GLU 35 2HG GLU 35 2.691 -3.072 3.280 228 H TRP 36 H TRP 36 -0.478 -6.295 2.879 229 HA TRP 36 HA TRP 36 -0.568 -8.077 5.237 230 HB3 TRP 36 2HB TRP 36 -2.657 -6.651 3.559 231 HD1 TRP 36 HD TRP 36 -2.573 -8.946 6.693 232 HE1 TRP 36 1HE TRP 36 -4.812 -10.168 6.875 233 HE3 TRP 36 3HE TRP 36 -4.947 -6.919 2.635 234 HZ2 TRP 36 2HZ TRP 36 -7.361 -10.182 5.508 235 HZ3 TRP 36 3HZ TRP 36 -7.307 -7.570 2.121 236 HH2 TRP 36 HH TRP 36 -8.516 -9.135 3.579 237 H ALA 37 H ALA 37 -2.314 -8.139 2.134 238 HA ALA 37 HA ALA 37 -2.965 -10.825 2.167 239 HB1 ALA 37 1HB ALA 37 -3.310 -10.468 -0.333 240 HB2 ALA 37 2HB ALA 37 -4.028 -9.210 0.691 241 HB3 ALA 37 3HB ALA 37 -2.500 -8.906 -0.171 242 H ALA 38 H ALA 38 0.121 -9.440 0.889 243 HA ALA 38 HA ALA 38 1.243 -11.612 -0.366 244 HB1 ALA 38 1HB ALA 38 2.447 -9.506 -0.014 245 HB2 ALA 38 2HB ALA 38 2.507 -9.794 1.734 246 HB3 ALA 38 3HB ALA 38 3.392 -10.846 0.629 247 H GLY 39 H GLY 39 1.136 -11.156 3.241 248 HA2 GLY 39 1HA GLY 39 2.457 -13.604 3.848 249 HA3 GLY 39 2HA GLY 39 1.436 -12.654 4.950 250 H LEU 40 H LEU 40 -1.066 -12.862 3.384 251 HA LEU 40 HA LEU 40 -2.096 -15.387 4.108 252 HB3 LEU 40 2HB LEU 40 -3.984 -14.624 2.622 253 HG LEU 40 HG LEU 40 -3.835 -14.067 4.964 254 HD11 LEU 40 1HD1 LEU 40 -2.772 -11.358 4.286 255 HD12 LEU 40 2HD1 LEU 40 -2.002 -12.612 5.304 256 HD13 LEU 40 3HD1 LEU 40 -3.474 -11.849 5.837 257 HD21 LEU 40 3HD2 LEU 40 -5.817 -13.402 3.511 258 HD22 LEU 40 1HD2 LEU 40 -5.153 -11.751 3.543 259 HD23 LEU 40 2HD2 LEU 40 -5.663 -12.532 5.041 260 H LEU 41 H LEU 41 -1.141 -14.008 0.915 261 HA LEU 41 HA LEU 41 -1.689 -16.300 -0.644 262 HB3 LEU 41 2HB LEU 41 0.158 -15.037 -2.101 263 HG LEU 41 HG LEU 41 -2.384 -15.201 -2.319 264 HD11 LEU 41 1HD1 LEU 41 -3.044 -13.741 -0.501 265 HD12 LEU 41 2HD1 LEU 41 -3.708 -13.245 -2.068 266 HD13 LEU 41 3HD1 LEU 41 -2.342 -12.350 -1.364 267 HD21 LEU 41 3HD2 LEU 41 -2.376 -13.710 -4.182 268 HD22 LEU 41 1HD2 LEU 41 -0.673 -14.155 -3.994 269 HD23 LEU 41 2HD2 LEU 41 -1.263 -12.587 -3.379 270 H GLY 42 H GLY 42 1.117 -15.430 1.201 271 HA2 GLY 42 1HA GLY 42 2.532 -17.301 2.052 272 HA3 GLY 42 2HA GLY 42 2.418 -18.048 0.466 273 H LYS 43 H LYS 43 2.843 -14.564 0.636 274 HA LYS 43 HA LYS 43 5.638 -14.816 -0.340 275 HB3 LYS 43 2HB LYS 43 5.148 -12.555 -1.319 276 HG3 LYS 43 2HG LYS 43 2.916 -14.371 -2.213 277 HD3 LYS 43 2HD LYS 43 5.105 -13.137 -3.930 278 HE3 LYS 43 2HE LYS 43 2.235 -14.106 -4.304 279 HZ1 LYS 43 3HZ LYS 43 2.414 -12.197 -5.632 280 HZ2 LYS 43 1HZ LYS 43 2.597 -13.486 -6.641 281 HZ3 LYS 43 2HZ LYS 43 3.917 -12.611 -6.212 282 H THR 44 H THR 44 7.232 -13.809 0.873 283 HA THR 44 HA THR 44 6.447 -12.047 3.113 284 HB THR 44 HB THR 44 8.194 -13.398 4.432 285 HG1 THR 44 1HG THR 44 9.137 -14.561 2.701 286 HG21 THR 44 3HG2 THR 44 5.748 -13.724 4.824 287 HG22 THR 44 1HG2 THR 44 6.682 -15.222 5.024 288 HG23 THR 44 2HG2 THR 44 5.719 -14.975 3.560 289 H GLY 45 H GLY 45 8.193 -10.603 3.769 290 HA2 GLY 45 1HA GLY 45 9.982 -9.244 3.349 291 HA3 GLY 45 2HA GLY 45 10.803 -10.759 2.974 292 H ASP 46 H ASP 46 11.651 -10.856 1.073 293 HA ASP 46 HA ASP 46 11.615 -8.801 -0.905 294 HB3 ASP 46 2HB ASP 46 12.422 -11.718 -1.296 295 H ASP 47 H ASP 47 9.787 -11.885 -0.719 296 HA ASP 47 HA ASP 47 8.717 -11.813 -3.408 297 HB3 ASP 47 2HB ASP 47 6.934 -13.280 -2.231 298 H ALA 48 H ALA 48 7.633 -10.718 -0.222 299 HA ALA 48 HA ALA 48 4.992 -9.751 -1.034 300 HB1 ALA 48 1HB ALA 48 4.991 -8.779 1.203 301 HB2 ALA 48 2HB ALA 48 5.628 -10.445 1.274 302 HB3 ALA 48 3HB ALA 48 6.729 -9.045 1.378 303 H ARG 49 H ARG 49 8.306 -8.292 -0.732 304 HA ARG 49 HA ARG 49 7.699 -5.665 -1.052 305 HB3 ARG 49 2HB ARG 49 10.048 -6.691 -2.599 306 HG3 ARG 49 2HG ARG 49 9.815 -4.803 -0.257 307 HD3 ARG 49 2HD ARG 49 11.613 -3.548 -1.576 308 HE ARG 49 HE ARG 49 11.977 -5.865 -0.080 309 HH11 ARG 49 1HH1 ARG 49 13.796 -3.943 -2.528 310 HH12 ARG 49 2HH1 ARG 49 15.328 -4.488 -2.004 311 HH21 ARG 49 1HH2 ARG 49 14.041 -6.681 0.498 312 HH22 ARG 49 2HH2 ARG 49 15.481 -5.985 -0.179 313 H ALA 50 H ALA 50 8.282 -7.974 -3.759 314 HA ALA 50 HA ALA 50 7.796 -6.111 -5.827 315 HB1 ALA 50 1HB ALA 50 7.309 -9.129 -5.792 316 HB2 ALA 50 2HB ALA 50 7.428 -8.101 -7.236 317 HB3 ALA 50 3HB ALA 50 8.837 -8.319 -6.178 318 H TYR 51 H TYR 51 5.584 -8.260 -4.096 319 HA TYR 51 HA TYR 51 3.258 -7.656 -5.631 320 HB3 TYR 51 2HB TYR 51 3.585 -8.552 -2.741 321 HD1 TYR 51 1HD TYR 51 1.502 -9.382 -5.776 322 HD2 TYR 51 2HD TYR 51 1.566 -8.219 -1.621 323 HE1 TYR 51 1HE TYR 51 -0.893 -9.867 -5.611 324 HE2 TYR 51 2HE TYR 51 -0.727 -8.908 -1.373 325 HH TYR 51 HH TYR 51 -2.538 -10.464 -4.099 326 H ALA 52 H ALA 52 4.674 -6.141 -2.728 327 HA ALA 52 HA ALA 52 2.590 -4.297 -2.212 328 HB1 ALA 52 1HB ALA 52 4.386 -5.006 -0.618 329 HB2 ALA 52 2HB ALA 52 5.575 -4.092 -1.581 330 HB3 ALA 52 3HB ALA 52 4.259 -3.249 -0.740 331 H LEU 53 H LEU 53 4.538 -4.392 -4.962 332 HA LEU 53 HA LEU 53 4.631 -1.446 -5.355 333 HB3 LEU 53 2HB LEU 53 6.262 -2.031 -7.170 334 HG LEU 53 HG LEU 53 6.839 -2.877 -4.313 335 HD11 LEU 53 1HD1 LEU 53 9.187 -2.924 -4.754 336 HD12 LEU 53 2HD1 LEU 53 8.911 -2.662 -6.503 337 HD13 LEU 53 3HD1 LEU 53 8.360 -4.144 -5.689 338 HD21 LEU 53 3HD2 LEU 53 8.140 -0.782 -4.258 339 HD22 LEU 53 1HD2 LEU 53 6.453 -0.458 -4.701 340 HD23 LEU 53 2HD2 LEU 53 7.715 -0.483 -5.951 341 H THR 54 H THR 54 2.395 -3.774 -5.852 342 HA THR 54 HA THR 54 1.519 -2.546 -8.395 343 HB THR 54 HB THR 54 2.916 -4.553 -8.801 344 HG1 THR 54 1HG THR 54 0.883 -5.563 -9.957 345 HG21 THR 54 3HG2 THR 54 2.376 -6.036 -7.023 346 HG22 THR 54 1HG2 THR 54 1.880 -6.799 -8.526 347 HG23 THR 54 2HG2 THR 54 0.650 -6.081 -7.458 348 H VAL 55 H VAL 55 0.525 -2.457 -5.399 349 HA VAL 55 HA VAL 55 -2.308 -2.956 -6.171 350 HB VAL 55 HB VAL 55 -1.098 -3.602 -3.450 351 HG11 VAL 55 1HG1 VAL 55 -3.265 -4.639 -2.981 352 HG12 VAL 55 2HG1 VAL 55 -3.484 -2.932 -3.366 353 HG13 VAL 55 3HG1 VAL 55 -3.860 -4.184 -4.586 354 HG21 VAL 55 3HG2 VAL 55 -1.533 -5.972 -3.982 355 HG22 VAL 55 1HG2 VAL 55 -1.993 -5.521 -5.633 356 HG23 VAL 55 2HG2 VAL 55 -0.324 -5.297 -5.060 357 H VAL 56 H VAL 56 -2.035 -0.642 -6.826 358 HA VAL 56 HA VAL 56 -2.773 1.069 -4.552 359 HB VAL 56 HB VAL 56 -0.547 1.817 -6.492 360 HG11 VAL 56 1HG1 VAL 56 -1.974 3.583 -4.442 361 HG12 VAL 56 2HG1 VAL 56 -0.477 4.008 -5.286 362 HG13 VAL 56 3HG1 VAL 56 -1.965 3.806 -6.202 363 HG21 VAL 56 3HG2 VAL 56 0.718 2.231 -4.334 364 HG22 VAL 56 1HG2 VAL 56 -0.669 1.544 -3.471 365 HG23 VAL 56 2HG2 VAL 56 0.274 0.539 -4.584 366 H THR 57 H THR 57 -4.618 2.012 -5.064 367 HA THR 57 HA THR 57 -4.919 3.434 -7.526 368 HB THR 57 HB THR 57 -5.703 1.435 -8.470 369 HG1 THR 57 1HG THR 57 -7.643 2.059 -9.050 370 HG21 THR 57 3HG2 THR 57 -7.449 0.908 -6.031 371 HG22 THR 57 1HG2 THR 57 -5.967 0.035 -6.428 372 HG23 THR 57 2HG2 THR 57 -7.344 -0.079 -7.512 373 H SER 58 H SER 58 -6.704 2.067 -4.733 374 HA SER 58 HA SER 58 -8.004 2.953 -3.193 375 HB3 SER 58 2HB SER 58 -7.297 5.837 -3.578 376 HG SER 58 HG SER 58 -8.516 5.222 -1.872 377 H ASP 59 H ASP 59 -9.733 2.248 -4.395 378 HA ASP 59 HA ASP 59 -11.378 4.462 -4.330 379 HB3 ASP 59 2HB ASP 59 -12.014 2.759 -6.754 380 H PHE 60 H PHE 60 -13.658 3.690 -4.015 381 HA PHE 60 HA PHE 60 -14.310 1.011 -3.791 382 HB3 PHE 60 2HB PHE 60 -14.526 2.159 -1.033 383 HD1 PHE 60 2HD PHE 60 -12.360 -0.634 -2.241 384 HD2 PHE 60 1HD PHE 60 -16.145 0.409 -0.488 385 HE1 PHE 60 2HE PHE 60 -12.834 -3.070 -1.775 386 HE2 PHE 60 1HE PHE 60 -16.671 -1.993 -0.187 387 HZ PHE 60 HZ PHE 60 -15.021 -3.721 -0.852 388 H ASP 61 H ASP 61 -16.698 1.444 -2.183 389 HA ASP 61 HA ASP 61 -18.710 2.477 -2.202 390 HB3 ASP 61 2HB ASP 61 -17.686 5.098 -3.238 391 H GLU 62 H GLU 62 -19.642 4.480 -4.358 392 HA GLU 62 HA GLU 62 -20.637 4.316 -6.367 393 HB3 GLU 62 2HB GLU 62 -18.933 2.707 -7.938 394 HG3 GLU 62 2HG GLU 62 -19.584 4.827 -8.851 395 HA PRO 63 HA PRO 63 -22.834 0.321 -6.771 396 HB3 PRO 63 2HB PRO 63 -24.148 1.177 -8.505 397 HG3 PRO 63 2HG PRO 63 -23.151 2.512 -10.253 398 HD3 PRO 63 2HD PRO 63 -22.701 3.619 -8.191 399 H GLY 64 H GLY 64 -22.399 -1.882 -8.001 400 HA2 GLY 64 1HA GLY 64 -19.687 -2.620 -7.422 401 HA3 GLY 64 2HA GLY 64 -20.941 -3.624 -8.145 402 H ASP 65 H ASP 65 -18.330 -1.343 -8.864 403 HA ASP 65 HA ASP 65 -18.563 -1.862 -11.768 404 HB3 ASP 65 2HB ASP 65 -16.199 -0.369 -11.197 405 H GLU 66 H GLU 66 -16.972 -3.202 -9.069 406 HA GLU 66 HA GLU 66 -15.415 -4.737 -8.756 407 HB3 GLU 66 2HB GLU 66 -15.798 -6.050 -11.422 408 HG3 GLU 66 2HG GLU 66 -16.286 -7.120 -8.616 409 H ASP 67 H ASP 67 -14.166 -2.528 -9.238 410 HA ASP 67 HA ASP 67 -12.108 -3.130 -11.315 411 HB3 ASP 67 2HB ASP 67 -12.807 -0.445 -10.104 412 H VAL 68 H VAL 68 -12.310 -1.550 -8.078 413 HA VAL 68 HA VAL 68 -9.458 -2.085 -7.696 414 HB VAL 68 HB VAL 68 -11.533 -0.788 -5.888 415 HG11 VAL 68 1HG1 VAL 68 -9.811 -1.550 -4.435 416 HG12 VAL 68 2HG1 VAL 68 -8.526 -1.139 -5.586 417 HG13 VAL 68 3HG1 VAL 68 -9.437 0.145 -4.745 418 HG21 VAL 68 3HG2 VAL 68 -11.272 0.568 -7.827 419 HG22 VAL 68 1HG2 VAL 68 -10.195 1.289 -6.636 420 HG23 VAL 68 2HG2 VAL 68 -9.527 0.276 -7.922 421 H PHE 69 H PHE 69 -12.509 -3.350 -6.332 422 HA PHE 69 HA PHE 69 -11.128 -5.100 -4.452 423 HB3 PHE 69 2HB PHE 69 -13.952 -4.566 -5.327 424 HD1 PHE 69 2HD PHE 69 -14.712 -6.715 -6.263 425 HD2 PHE 69 1HD PHE 69 -13.120 -6.407 -2.262 426 HE1 PHE 69 2HE PHE 69 -15.628 -8.938 -5.730 427 HE2 PHE 69 1HE PHE 69 -14.064 -8.646 -1.742 428 HZ PHE 69 HZ PHE 69 -15.361 -9.883 -3.446 429 H ARG 70 H ARG 70 -12.020 -5.374 -7.815 430 HA ARG 70 HA ARG 70 -12.448 -8.012 -8.274 431 HB3 ARG 70 2HB ARG 70 -11.123 -5.848 -9.874 432 HG3 ARG 70 2HG ARG 70 -11.194 -8.751 -10.711 433 HD3 ARG 70 2HD ARG 70 -10.879 -7.765 -13.075 434 HE ARG 70 HE ARG 70 -13.341 -8.342 -11.641 435 HH11 ARG 70 1HH1 ARG 70 -12.391 -7.206 -14.927 436 HH12 ARG 70 2HH1 ARG 70 -13.735 -8.053 -15.617 437 HH21 ARG 70 1HH2 ARG 70 -14.943 -9.265 -12.554 438 HH22 ARG 70 2HH2 ARG 70 -15.351 -9.072 -14.219 439 H LYS 71 H LYS 71 -9.279 -6.704 -8.633 440 HA LYS 71 HA LYS 71 -7.836 -9.101 -8.947 441 HB3 LYS 71 2HB LYS 71 -6.776 -7.149 -9.609 442 HG3 LYS 71 2HG LYS 71 -6.067 -5.354 -7.805 443 HD3 LYS 71 2HD LYS 71 -8.507 -4.312 -8.211 444 HE3 LYS 71 2HE LYS 71 -6.381 -3.413 -9.120 445 HZ1 LYS 71 3HZ LYS 71 -5.645 -5.281 -10.477 446 HZ2 LYS 71 1HZ LYS 71 -5.926 -3.971 -11.429 447 HZ3 LYS 71 2HZ LYS 71 -7.039 -5.139 -11.415 448 H LEU 72 H LEU 72 -8.428 -7.188 -6.116 449 HA LEU 72 HA LEU 72 -6.918 -8.573 -4.249 450 HB3 LEU 72 2HB LEU 72 -9.528 -7.549 -3.199 451 HG LEU 72 HG LEU 72 -8.265 -6.292 -1.704 452 HD11 LEU 72 1HD1 LEU 72 -6.660 -7.809 -0.668 453 HD12 LEU 72 2HD1 LEU 72 -6.472 -8.703 -2.165 454 HD13 LEU 72 3HD1 LEU 72 -8.026 -8.748 -1.317 455 HD21 LEU 72 3HD2 LEU 72 -6.917 -5.136 -3.365 456 HD22 LEU 72 1HD2 LEU 72 -5.875 -6.562 -3.549 457 HD23 LEU 72 2HD2 LEU 72 -5.908 -5.680 -2.010 458 H ALA 73 H ALA 73 -10.442 -9.020 -4.910 459 HA ALA 73 HA ALA 73 -10.716 -11.191 -3.076 460 HB1 ALA 73 1HB ALA 73 -12.531 -9.717 -3.855 461 HB2 ALA 73 2HB ALA 73 -12.458 -10.433 -5.475 462 HB3 ALA 73 3HB ALA 73 -12.951 -11.414 -4.069 463 H ALA 74 H ALA 74 -9.976 -11.069 -6.571 464 HA ALA 74 HA ALA 74 -10.164 -13.871 -7.065 465 HB1 ALA 74 1HB ALA 74 -8.372 -11.784 -8.393 466 HB2 ALA 74 2HB ALA 74 -8.773 -13.390 -9.018 467 HB3 ALA 74 3HB ALA 74 -10.052 -12.166 -8.843 468 H ASP 75 H ASP 75 -7.363 -11.821 -6.118 469 HA ASP 75 HA ASP 75 -5.386 -13.858 -6.010 470 HB3 ASP 75 2HB ASP 75 -4.713 -11.974 -4.018 471 H LEU 76 H LEU 76 -7.514 -12.506 -3.531 472 HA LEU 76 HA LEU 76 -6.244 -14.098 -1.466 473 HB3 LEU 76 2HB LEU 76 -8.331 -11.911 -1.116 474 HG LEU 76 HG LEU 76 -7.427 -12.779 1.033 475 HD11 LEU 76 1HD1 LEU 76 -5.277 -13.740 0.386 476 HD12 LEU 76 2HD1 LEU 76 -4.920 -12.346 1.415 477 HD13 LEU 76 3HD1 LEU 76 -4.779 -12.191 -0.325 478 HD21 LEU 76 3HD2 LEU 76 -6.549 -10.654 1.887 479 HD22 LEU 76 1HD2 LEU 76 -7.827 -10.305 0.708 480 HD23 LEU 76 2HD2 LEU 76 -6.130 -10.124 0.247 481 H GLU 77 H GLU 77 -8.487 -15.035 -3.338 482 HA GLU 77 HA GLU 77 -10.893 -15.460 -2.264 483 HB3 GLU 77 2HB GLU 77 -9.254 -17.483 -3.867 484 HG3 GLU 77 2HG GLU 77 -12.167 -17.220 -3.187 485 H GLY 78 H GLY 78 -11.618 -16.263 -0.461 486 HA2 GLY 78 1HA GLY 78 -12.134 -17.923 1.102 487 HA3 GLY 78 2HA GLY 78 -10.720 -18.839 0.579 488 H LYS 79 H LYS 79 -9.492 -15.829 1.071 489 HA LYS 79 HA LYS 79 -8.849 -16.370 3.952 490 HB3 LYS 79 2HB LYS 79 -6.563 -15.697 3.476 491 HG3 LYS 79 2HG LYS 79 -7.737 -18.031 2.200 492 HD3 LYS 79 2HD LYS 79 -6.861 -16.730 0.118 493 HE3 LYS 79 2HE LYS 79 -4.579 -16.277 1.245 494 HZ1 LYS 79 3HZ LYS 79 -4.098 -19.076 0.427 495 HZ2 LYS 79 1HZ LYS 79 -4.199 -18.605 1.997 496 HZ3 LYS 79 2HZ LYS 79 -2.994 -18.058 1.059 497 H ALA 80 H ALA 80 -10.547 -14.267 2.061 498 HA ALA 80 HA ALA 80 -10.520 -12.255 4.131 499 HB1 ALA 80 1HB ALA 80 -8.792 -11.364 2.640 500 HB2 ALA 80 2HB ALA 80 -9.884 -11.525 1.237 501 HB3 ALA 80 3HB ALA 80 -10.250 -10.368 2.535 502 H ASP 81 H ASP 81 -12.232 -10.491 3.320 503 HA ASP 81 HA ASP 81 -14.584 -11.794 2.124 504 HB3 ASP 81 2HB ASP 81 -15.981 -11.262 3.908 505 H GLU 82 H GLU 82 -16.142 -10.094 1.519 506 HA GLU 82 HA GLU 82 -15.070 -7.882 0.260 507 HB3 GLU 82 2HB GLU 82 -17.840 -7.342 0.811 508 HG3 GLU 82 2HG GLU 82 -17.941 -8.830 -1.485 509 H GLU 83 H GLU 83 -16.809 -7.852 3.427 510 HA GLU 83 HA GLU 83 -16.304 -5.027 3.741 511 HB3 GLU 83 2HB GLU 83 -18.173 -6.158 4.888 512 HG3 GLU 83 2HG GLU 83 -16.000 -7.282 6.742 513 H THR 84 H THR 84 -14.504 -7.954 4.593 514 HA THR 84 HA THR 84 -12.715 -6.718 6.443 515 HB THR 84 HB THR 84 -12.552 -9.196 4.713 516 HG1 THR 84 1HG THR 84 -13.422 -10.174 6.375 517 HG21 THR 84 3HG2 THR 84 -10.778 -8.360 7.042 518 HG22 THR 84 1HG2 THR 84 -10.256 -8.633 5.359 519 HG23 THR 84 2HG2 THR 84 -10.828 -9.991 6.347 520 H ILE 85 H ILE 85 -12.636 -7.134 2.849 521 HA ILE 85 HA ILE 85 -10.017 -5.956 2.560 522 HB ILE 85 HB ILE 85 -12.331 -6.221 0.578 523 HG13 ILE 85 2HG1 ILE 85 -11.012 -8.299 1.592 524 HG21 ILE 85 1HG2 ILE 85 -10.622 -5.762 -1.183 525 HG22 ILE 85 2HG2 ILE 85 -11.009 -4.369 -0.176 526 HG23 ILE 85 3HG2 ILE 85 -9.495 -5.248 0.100 527 HD11 ILE 85 3HD1 ILE 85 -10.723 -9.480 -0.510 528 HD12 ILE 85 1HD1 ILE 85 -12.277 -8.636 -0.426 529 HD13 ILE 85 2HD1 ILE 85 -10.957 -7.977 -1.424 530 H ARG 86 H ARG 86 -13.383 -4.590 2.409 531 HA ARG 86 HA ARG 86 -12.420 -2.030 1.730 532 HB3 ARG 86 2HB ARG 86 -14.780 -3.015 1.561 533 HG3 ARG 86 2HG ARG 86 -15.042 -2.884 4.269 534 HD3 ARG 86 2HD ARG 86 -16.181 -0.325 3.125 535 HE ARG 86 HE ARG 86 -17.522 -2.092 4.712 536 HH11 ARG 86 1HH1 ARG 86 -16.580 1.355 5.089 537 HH12 ARG 86 2HH1 ARG 86 -18.027 1.709 5.980 538 HH21 ARG 86 1HH2 ARG 86 -19.231 -1.587 6.115 539 HH22 ARG 86 2HH2 ARG 86 -19.501 0.056 6.570 540 H ALA 87 H ALA 87 -12.967 -3.551 4.859 541 HA ALA 87 HA ALA 87 -12.400 -1.262 6.453 542 HB1 ALA 87 1HB ALA 87 -12.041 -4.231 7.112 543 HB2 ALA 87 2HB ALA 87 -12.078 -2.894 8.280 544 HB3 ALA 87 3HB ALA 87 -13.532 -3.303 7.345 545 H LYS 88 H LYS 88 -10.331 -4.076 5.447 546 HA LYS 88 HA LYS 88 -8.074 -3.384 6.802 547 HB3 LYS 88 2HB LYS 88 -7.174 -4.303 4.197 548 HG3 LYS 88 2HG LYS 88 -6.303 -4.777 6.598 549 HD3 LYS 88 2HD LYS 88 -8.256 -7.104 6.237 550 HE3 LYS 88 2HE LYS 88 -6.290 -6.367 8.443 551 HZ1 LYS 88 3HZ LYS 88 -7.864 -8.860 8.189 552 HZ2 LYS 88 1HZ LYS 88 -8.241 -7.580 9.197 553 HZ3 LYS 88 2HZ LYS 88 -6.860 -8.441 9.396 554 H MET 89 H MET 89 -8.840 -2.228 3.488 555 HA MET 89 HA MET 89 -6.360 -0.798 3.359 556 HB3 MET 89 2HB MET 89 -7.804 -1.573 1.450 557 HG3 MET 89 2HG MET 89 -9.008 1.186 1.609 558 HE1 MET 89 3HE MET 89 -10.929 -1.833 0.110 559 HE2 MET 89 1HE MET 89 -10.332 -1.937 -1.551 560 HE3 MET 89 2HE MET 89 -9.282 -2.417 -0.198 561 H VAL 90 H VAL 90 -9.420 0.106 4.780 562 HA VAL 90 HA VAL 90 -8.638 2.906 5.127 563 HB VAL 90 HB VAL 90 -11.009 1.275 6.110 564 HG11 VAL 90 1HG1 VAL 90 -12.052 3.488 6.634 565 HG12 VAL 90 2HG1 VAL 90 -10.692 3.101 7.681 566 HG13 VAL 90 3HG1 VAL 90 -10.476 4.273 6.357 567 HG21 VAL 90 3HG2 VAL 90 -10.787 3.416 3.940 568 HG22 VAL 90 1HG2 VAL 90 -10.970 1.671 3.660 569 HG23 VAL 90 2HG2 VAL 90 -12.268 2.564 4.447 570 H GLU 91 H GLU 91 -8.398 -0.146 7.037 571 HA GLU 91 HA GLU 91 -7.984 0.901 9.570 572 HB3 GLU 91 2HB GLU 91 -6.370 -0.958 9.963 573 HG3 GLU 91 2HG GLU 91 -8.796 -2.088 8.527 574 H LEU 92 H LEU 92 -5.410 0.368 7.071 575 HA LEU 92 HA LEU 92 -3.426 1.527 8.719 576 HB3 LEU 92 2HB LEU 92 -1.926 1.251 6.987 577 HG LEU 92 HG LEU 92 -1.864 -0.866 6.386 578 HD11 LEU 92 1HD1 LEU 92 -4.126 -1.229 8.352 579 HD12 LEU 92 2HD1 LEU 92 -2.422 -0.897 8.758 580 HD13 LEU 92 3HD1 LEU 92 -2.862 -2.377 7.903 581 HD21 LEU 92 3HD2 LEU 92 -3.285 -1.000 4.597 582 HD22 LEU 92 1HD2 LEU 92 -4.706 -0.576 5.544 583 HD23 LEU 92 2HD2 LEU 92 -3.977 -2.200 5.700 584 H ARG 93 H ARG 93 -5.884 3.280 7.479 585 HA ARG 93 HA ARG 93 -4.956 5.262 5.836 586 HB3 ARG 93 2HB ARG 93 -6.990 5.360 8.089 587 HG3 ARG 93 2HG ARG 93 -6.585 7.408 5.874 588 HD3 ARG 93 2HD ARG 93 -8.747 8.355 6.899 589 HE ARG 93 HE ARG 93 -8.482 6.427 4.850 590 HH11 ARG 93 1HH1 ARG 93 -11.077 7.951 6.817 591 HH12 ARG 93 2HH1 ARG 93 -12.300 7.487 5.694 592 HH21 ARG 93 1HH2 ARG 93 -9.978 6.190 3.320 593 HH22 ARG 93 2HH2 ARG 93 -11.595 6.821 3.438 594 H ALA 94 H ALA 94 -4.528 5.255 9.414 595 HA ALA 94 HA ALA 94 -2.772 7.642 9.154 596 HB1 ALA 94 1HB ALA 94 -3.640 6.160 11.642 597 HB2 ALA 94 2HB ALA 94 -2.826 7.725 11.562 598 HB3 ALA 94 3HB ALA 94 -4.489 7.573 10.962 599 H THR 95 H THR 95 -2.508 4.104 9.751 600 HA THR 95 HA THR 95 0.089 4.048 10.818 601 HB THR 95 HB THR 95 -1.346 2.105 8.973 602 HG1 THR 95 1HG THR 95 -1.937 1.203 11.054 603 HG21 THR 95 3HG2 THR 95 0.971 1.622 10.887 604 HG22 THR 95 1HG2 THR 95 0.960 1.406 9.131 605 HG23 THR 95 2HG2 THR 95 -0.015 0.342 10.140 606 H ALA 96 H ALA 96 -1.038 4.332 7.450 607 HA ALA 96 HA ALA 96 1.231 3.769 6.041 608 HB1 ALA 96 1HB ALA 96 0.281 5.070 4.262 609 HB2 ALA 96 2HB ALA 96 -1.067 4.368 5.166 610 HB3 ALA 96 3HB ALA 96 -0.656 6.077 5.395 611 H ARG 97 H ARG 97 0.531 6.931 7.637 612 HA ARG 97 HA ARG 97 2.869 8.185 6.475 613 HB3 ARG 97 2HB ARG 97 0.901 9.456 7.139 614 HG3 ARG 97 2HG ARG 97 0.166 8.777 9.284 615 HD3 ARG 97 2HD ARG 97 2.977 9.390 10.080 616 HE ARG 97 HE ARG 97 0.723 10.286 11.781 617 HH11 ARG 97 1HH1 ARG 97 4.219 9.419 11.669 618 HH12 ARG 97 2HH1 ARG 97 4.604 10.509 12.929 619 HH21 ARG 97 1HH2 ARG 97 1.353 11.602 13.579 620 HH22 ARG 97 2HH2 ARG 97 3.033 11.792 13.940 621 H GLU 98 H GLU 98 2.507 6.046 9.287 622 HA GLU 98 HA GLU 98 4.964 6.982 10.498 623 HB3 GLU 98 2HB GLU 98 4.448 4.796 11.789 624 HG3 GLU 98 2HG GLU 98 2.238 6.635 12.341 625 H GLN 99 H GLN 99 3.791 4.315 8.456 626 HA GLN 99 HA GLN 99 5.982 2.626 8.562 627 HB3 GLN 99 2HB GLN 99 5.277 1.966 6.213 628 HG3 GLN 99 2HG GLN 99 3.167 2.029 8.411 629 HE21 GLN 99 1HE2 GLN 99 3.508 -0.979 8.164 630 HE22 GLN 99 2HE2 GLN 99 2.566 -1.394 6.751 631 H ILE 100 H ILE 100 5.611 5.395 6.227 632 HA ILE 100 HA ILE 100 8.012 4.927 4.813 633 HB ILE 100 HB ILE 100 6.795 7.594 5.602 634 HG13 ILE 100 2HG1 ILE 100 5.518 7.639 3.602 635 HG21 ILE 100 1HG2 ILE 100 7.822 8.465 3.456 636 HG22 ILE 100 2HG2 ILE 100 8.992 8.034 4.716 637 HG23 ILE 100 3HG2 ILE 100 8.731 6.940 3.341 638 HD11 ILE 100 3HD1 ILE 100 6.867 6.512 1.928 639 HD12 ILE 100 1HD1 ILE 100 6.771 4.970 2.823 640 HD13 ILE 100 2HD1 ILE 100 5.324 5.664 2.067 641 H ILE 101 H ILE 101 7.473 6.776 7.824 642 HA ILE 101 HA ILE 101 10.262 7.432 8.233 643 HB ILE 101 HB ILE 101 7.715 7.667 9.872 644 HG13 ILE 101 2HG1 ILE 101 7.768 9.100 7.900 645 HG21 ILE 101 1HG2 ILE 101 9.482 7.541 11.526 646 HG22 ILE 101 2HG2 ILE 101 10.463 8.727 10.642 647 HG23 ILE 101 3HG2 ILE 101 8.968 9.213 11.439 648 HD11 ILE 101 3HD1 ILE 101 6.890 10.215 9.980 649 HD12 ILE 101 1HD1 ILE 101 8.495 10.970 10.171 650 HD13 ILE 101 2HD1 ILE 101 7.537 11.306 8.734 651 H SER 102 H SER 102 8.609 4.568 8.508 652 HA SER 102 HA SER 102 10.463 3.480 10.562 653 HB3 SER 102 2HB SER 102 7.766 2.411 9.721 654 HG SER 102 HG SER 102 9.375 1.080 10.863 655 H GLU 103 H GLU 103 10.693 3.836 7.477 656 HA GLU 103 HA GLU 103 11.381 1.022 6.739 657 HB3 GLU 103 2HB GLU 103 11.074 2.069 4.355 658 HG3 GLU 103 2HG GLU 103 8.749 1.342 6.130 659 H ILE 104 H ILE 104 12.776 3.445 8.158 660 HA ILE 104 HA ILE 104 14.875 4.135 6.273 661 HB ILE 104 HB ILE 104 15.229 4.686 9.199 662 HG13 ILE 104 2HG1 ILE 104 12.853 5.176 9.010 663 HG21 ILE 104 1HG2 ILE 104 16.247 6.728 8.383 664 HG22 ILE 104 2HG2 ILE 104 16.791 5.428 7.344 665 HG23 ILE 104 3HG2 ILE 104 15.511 6.520 6.774 666 HD11 ILE 104 3HD1 ILE 104 12.821 7.395 9.822 667 HD12 ILE 104 1HD1 ILE 104 14.359 6.687 10.318 668 HD13 ILE 104 2HD1 ILE 104 14.300 7.827 8.952 Start of MODEL 15 1 H1 MET 1 H MET 1 8.128 0.943 -4.952 2 HA MET 1 HA MET 1 10.017 0.981 -6.580 3 HB3 MET 1 2HB MET 1 9.559 1.173 -8.887 4 HG3 MET 1 2HG MET 1 7.606 -1.005 -8.145 5 HE1 MET 1 3HE MET 1 7.982 0.591 -10.965 6 HE2 MET 1 1HE MET 1 8.286 -0.599 -12.238 7 HE3 MET 1 2HE MET 1 6.892 -0.805 -11.177 8 H THR 2 H THR 2 10.761 3.192 -7.270 9 HA THR 2 HA THR 2 8.880 5.238 -6.195 10 HB THR 2 HB THR 2 11.765 5.253 -5.406 11 HG1 THR 2 1HG THR 2 11.569 3.720 -3.982 12 HG21 THR 2 3HG2 THR 2 10.247 7.070 -4.684 13 HG22 THR 2 1HG2 THR 2 10.746 6.108 -3.287 14 HG23 THR 2 2HG2 THR 2 9.128 5.888 -3.978 15 H THR 3 H THR 3 9.889 4.581 -8.980 16 HA THR 3 HA THR 3 10.544 5.576 -10.849 17 HB THR 3 HB THR 3 10.880 8.377 -10.034 18 HG1 THR 3 1HG THR 3 9.309 7.730 -8.494 19 HG21 THR 3 3HG2 THR 3 9.287 8.743 -11.849 20 HG22 THR 3 1HG2 THR 3 8.852 7.018 -11.862 21 HG23 THR 3 2HG2 THR 3 10.470 7.533 -12.359 22 H PHE 4 H PHE 4 12.429 7.474 -11.512 23 HA PHE 4 HA PHE 4 14.978 6.424 -10.733 24 HB3 PHE 4 2HB PHE 4 14.680 7.452 -12.892 25 HD1 PHE 4 1HD PHE 4 14.786 10.695 -11.084 26 HD2 PHE 4 2HD PHE 4 12.477 8.124 -13.651 27 HE1 PHE 4 1HE PHE 4 13.136 12.519 -11.423 28 HE2 PHE 4 2HE PHE 4 10.788 9.915 -13.928 29 HZ PHE 4 HZ PHE 4 11.109 12.121 -12.805 30 H ASP 5 H ASP 5 16.554 7.597 -9.460 31 HA ASP 5 HA ASP 5 15.592 9.779 -7.713 32 HB3 ASP 5 2HB ASP 5 16.989 8.145 -6.523 33 H ASP 6 H ASP 6 16.927 11.721 -7.910 34 HA ASP 6 HA ASP 6 18.378 12.208 -10.395 35 HB3 ASP 6 2HB ASP 6 15.791 13.722 -9.868 36 H ARG 7 H ARG 7 16.546 13.928 -7.903 37 HA ARG 7 HA ARG 7 18.505 15.670 -6.814 38 HB3 ARG 7 2HB ARG 7 16.050 15.740 -6.372 39 HG3 ARG 7 2HG ARG 7 16.496 13.381 -4.483 40 HD3 ARG 7 2HD ARG 7 14.011 14.885 -5.387 41 HE ARG 7 HE ARG 7 13.905 12.396 -3.795 42 HH11 ARG 7 1HH1 ARG 7 13.186 13.953 -6.951 43 HH12 ARG 7 2HH1 ARG 7 12.157 12.670 -7.482 44 HH21 ARG 7 1HH2 ARG 7 12.715 10.581 -4.686 45 HH22 ARG 7 2HH2 ARG 7 11.991 10.715 -6.244 46 H GLU 8 H GLU 8 19.472 15.431 -4.612 47 HA GLU 8 HA GLU 8 21.035 13.013 -4.369 48 HB3 GLU 8 2HB GLU 8 21.375 14.364 -1.966 49 HG3 GLU 8 2HG GLU 8 23.218 15.642 -3.092 50 H ARG 9 H ARG 9 19.000 14.453 -1.765 51 HA ARG 9 HA ARG 9 18.229 11.685 -0.932 52 HB3 ARG 9 2HB ARG 9 19.239 12.337 1.354 53 HG3 ARG 9 2HG ARG 9 20.969 11.675 -1.040 54 HD3 ARG 9 2HD ARG 9 22.434 12.977 0.270 55 HE ARG 9 HE ARG 9 21.375 11.450 2.592 56 HH11 ARG 9 1HH1 ARG 9 23.842 13.748 1.524 57 HH12 ARG 9 2HH1 ARG 9 23.832 14.661 3.025 58 HH21 ARG 9 1HH2 ARG 9 21.293 12.743 4.533 59 HH22 ARG 9 2HH2 ARG 9 22.209 14.205 4.640 60 H ALA 10 H ALA 10 18.403 14.925 0.488 61 HA ALA 10 HA ALA 10 17.056 16.052 1.875 62 HB1 ALA 10 1HB ALA 10 15.200 15.619 -0.467 63 HB2 ALA 10 2HB ALA 10 14.937 16.794 0.839 64 HB3 ALA 10 3HB ALA 10 16.343 16.948 -0.214 65 H HIS 11 H HIS 11 17.203 14.398 3.420 66 HA HIS 11 HA HIS 11 14.588 13.288 4.261 67 HB3 HIS 11 2HB HIS 11 16.140 11.700 3.138 68 HD1 HIS 11 1HD HIS 11 17.313 10.019 6.257 69 HD2 HIS 11 2HD HIS 11 18.719 13.115 3.775 70 HE1 HIS 11 1HE HIS 11 19.709 10.307 6.813 71 H GLU 12 H GLU 12 15.838 12.257 6.698 72 HA GLU 12 HA GLU 12 15.768 13.036 8.862 73 HB3 GLU 12 2HB GLU 12 18.044 12.686 8.594 74 HG3 GLU 12 2HG GLU 12 18.159 15.452 7.369 75 H ALA 13 H ALA 13 13.808 14.031 8.878 76 HA ALA 13 HA ALA 13 12.288 15.624 9.245 77 HB1 ALA 13 1HB ALA 13 12.894 17.557 10.558 78 HB2 ALA 13 2HB ALA 13 13.886 16.180 11.077 79 HB3 ALA 13 3HB ALA 13 14.587 17.443 10.065 80 H LYS 14 H LYS 14 13.059 15.347 6.567 81 HA LYS 14 HA LYS 14 12.958 18.112 5.446 82 HB3 LYS 14 2HB LYS 14 13.558 16.348 3.351 83 HG3 LYS 14 2HG LYS 14 15.931 16.849 3.803 84 HD3 LYS 14 2HD LYS 14 14.434 19.452 4.171 85 HE3 LYS 14 2HE LYS 14 16.863 18.620 2.508 86 HZ1 LYS 14 3HZ LYS 14 16.107 21.336 3.398 87 HZ2 LYS 14 1HZ LYS 14 15.764 20.776 1.888 88 HZ3 LYS 14 2HZ LYS 14 17.312 20.908 2.374 89 H PHE 15 H PHE 15 10.952 15.376 5.982 90 HA PHE 15 HA PHE 15 9.177 15.331 3.884 91 HB3 PHE 15 2HB PHE 15 7.495 15.280 6.100 92 HD1 PHE 15 2HD PHE 15 10.237 13.262 4.418 93 HD2 PHE 15 1HD PHE 15 6.359 13.224 6.348 94 HE1 PHE 15 2HE PHE 15 9.911 10.915 3.756 95 HE2 PHE 15 1HE PHE 15 6.065 10.849 5.671 96 HZ PHE 15 HZ PHE 15 7.826 9.706 4.371 97 H ALA 16 H ALA 16 9.464 17.938 6.205 98 HA ALA 16 HA ALA 16 6.946 19.214 5.719 99 HB1 ALA 16 1HB ALA 16 7.949 21.036 6.983 100 HB2 ALA 16 2HB ALA 16 8.448 19.487 7.712 101 HB3 ALA 16 3HB ALA 16 9.584 20.401 6.686 102 H HIS 17 H HIS 17 9.533 18.825 3.567 103 HA HIS 17 HA HIS 17 9.098 21.402 2.175 104 HB3 HIS 17 2HB HIS 17 11.621 19.727 2.018 105 HD1 HIS 17 1HD HIS 17 11.510 21.307 -0.469 106 HD2 HIS 17 2HD HIS 17 12.177 23.151 3.277 107 HE1 HIS 17 1HE HIS 17 12.431 23.608 -0.964 108 H ASP 18 H ASP 18 9.303 21.146 -0.173 109 HA ASP 18 HA ASP 18 8.817 20.212 -2.169 110 HB3 ASP 18 2HB ASP 18 9.701 17.970 -2.682 111 H ALA 19 H ALA 19 7.864 17.554 -2.791 112 HA ALA 19 HA ALA 19 5.865 16.831 -0.777 113 HB1 ALA 19 1HB ALA 19 5.121 17.197 -3.720 114 HB2 ALA 19 2HB ALA 19 4.149 16.337 -2.502 115 HB3 ALA 19 3HB ALA 19 4.441 18.067 -2.317 116 H GLU 20 H GLU 20 7.716 16.067 -3.781 117 HA GLU 20 HA GLU 20 7.420 13.404 -4.049 118 HB3 GLU 20 2HB GLU 20 10.256 13.873 -4.162 119 HG3 GLU 20 2HG GLU 20 9.900 13.919 -6.591 120 H LEU 21 H LEU 21 9.387 14.918 -1.502 121 HA LEU 21 HA LEU 21 10.588 12.529 -0.571 122 HB3 LEU 21 2HB LEU 21 11.312 13.787 1.344 123 HG LEU 21 HG LEU 21 10.955 15.766 -0.953 124 HD11 LEU 21 1HD1 LEU 21 12.649 15.861 1.530 125 HD12 LEU 21 2HD1 LEU 21 11.272 16.900 1.164 126 HD13 LEU 21 3HD1 LEU 21 12.746 17.025 0.185 127 HD21 LEU 21 3HD2 LEU 21 13.311 13.969 -0.270 128 HD22 LEU 21 1HD2 LEU 21 13.264 15.234 -1.528 129 HD23 LEU 21 2HD2 LEU 21 12.239 13.821 -1.674 130 H ASN 22 H ASN 22 7.562 14.091 0.290 131 HA ASN 22 HA ASN 22 6.849 12.223 2.437 132 HB3 ASN 22 2HB ASN 22 4.966 14.077 0.962 133 HD21 ASN 22 1HD2 ASN 22 4.310 15.543 3.312 134 HD22 ASN 22 2HD2 ASN 22 3.612 14.474 4.517 135 H PHE 23 H PHE 23 6.388 12.633 -1.039 136 HA PHE 23 HA PHE 23 4.100 11.374 -1.551 137 HB3 PHE 23 2HB PHE 23 6.446 10.898 -3.377 138 HD1 PHE 23 1HD PHE 23 3.055 10.152 -3.079 139 HD2 PHE 23 2HD PHE 23 5.670 12.495 -5.604 140 HE1 PHE 23 1HE PHE 23 1.421 10.021 -4.896 141 HE2 PHE 23 2HE PHE 23 3.980 12.400 -7.403 142 HZ PHE 23 HZ PHE 23 1.854 11.171 -7.067 143 H LYS 24 H LYS 24 7.215 9.708 -1.147 144 HA LYS 24 HA LYS 24 6.374 7.082 -1.692 145 HB3 LYS 24 2HB LYS 24 8.687 7.587 -1.428 146 HG3 LYS 24 2HG LYS 24 8.189 7.864 1.561 147 HD3 LYS 24 2HD LYS 24 10.586 8.396 1.747 148 HE3 LYS 24 2HE LYS 24 10.095 5.692 0.482 149 HZ1 LYS 24 3HZ LYS 24 12.603 6.694 1.685 150 HZ2 LYS 24 1HZ LYS 24 12.353 6.358 0.087 151 HZ3 LYS 24 2HZ LYS 24 12.317 5.157 1.205 152 H ALA 25 H ALA 25 6.016 8.862 1.365 153 HA ALA 25 HA ALA 25 4.892 6.674 2.903 154 HB1 ALA 25 1HB ALA 25 5.827 8.322 4.279 155 HB2 ALA 25 2HB ALA 25 5.245 9.666 3.288 156 HB3 ALA 25 3HB ALA 25 4.122 8.797 4.310 157 H GLU 26 H GLU 26 3.399 9.644 1.494 158 HA GLU 26 HA GLU 26 0.774 8.695 2.110 159 HB3 GLU 26 2HB GLU 26 1.325 11.024 1.963 160 HG3 GLU 26 2HG GLU 26 1.315 10.830 -1.072 161 H ALA 27 H ALA 27 2.815 7.542 -0.279 162 HA ALA 27 HA ALA 27 0.550 6.329 -1.800 163 HB1 ALA 27 1HB ALA 27 3.433 6.605 -2.705 164 HB2 ALA 27 2HB ALA 27 2.047 6.066 -3.663 165 HB3 ALA 27 3HB ALA 27 2.148 7.757 -3.136 166 H ARG 28 H ARG 28 2.335 5.473 0.845 167 HA ARG 28 HA ARG 28 3.245 2.830 -0.036 168 HB3 ARG 28 2HB ARG 28 2.929 2.659 2.725 169 HG3 ARG 28 2HG ARG 28 5.288 3.470 2.931 170 HD3 ARG 28 2HD ARG 28 4.627 1.363 0.836 171 HE ARG 28 HE ARG 28 7.101 1.055 2.333 172 HH11 ARG 28 1HH1 ARG 28 5.890 2.461 -0.745 173 HH12 ARG 28 2HH1 ARG 28 7.210 1.886 -1.640 174 HH21 ARG 28 1HH2 ARG 28 9.024 0.857 1.216 175 HH22 ARG 28 2HH2 ARG 28 9.063 0.899 -0.513 176 H ARG 29 H ARG 29 0.238 4.090 0.546 177 HA ARG 29 HA ARG 29 -1.102 2.492 2.256 178 HB3 ARG 29 2HB ARG 29 -3.180 3.222 1.069 179 HG3 ARG 29 2HG ARG 29 -0.978 5.313 1.458 180 HD3 ARG 29 2HD ARG 29 -2.790 6.403 0.317 181 HE ARG 29 HE ARG 29 -4.578 4.758 1.781 182 HH11 ARG 29 1HH1 ARG 29 -4.299 8.176 0.783 183 HH12 ARG 29 2HH1 ARG 29 -5.983 8.255 0.302 184 HH21 ARG 29 1HH2 ARG 29 -6.639 4.909 1.201 185 HH22 ARG 29 2HH2 ARG 29 -7.184 6.228 0.233 186 H ASN 30 H ASN 30 -1.595 1.765 -1.289 187 HA ASN 30 HA ASN 30 -2.691 -0.841 -0.514 188 HB3 ASN 30 2HB ASN 30 -2.460 -1.061 -3.154 189 HD21 ASN 30 1HD2 ASN 30 -4.533 -2.071 -2.865 190 HD22 ASN 30 2HD2 ASN 30 -5.882 -1.064 -3.032 191 H ARG 31 H ARG 31 0.560 0.112 -0.602 192 HA ARG 31 HA ARG 31 1.607 -2.223 -2.090 193 HB3 ARG 31 2HB ARG 31 2.930 0.026 -0.525 194 HG3 ARG 31 2HG ARG 31 5.031 -0.967 -1.811 195 HD3 ARG 31 2HD ARG 31 4.058 -1.383 0.969 196 HE ARG 31 HE ARG 31 5.491 -3.486 -0.241 197 HH11 ARG 31 1HH1 ARG 31 6.154 -1.752 2.821 198 HH12 ARG 31 2HH1 ARG 31 5.764 -3.163 3.754 199 HH21 ARG 31 1HH2 ARG 31 5.430 -5.253 0.926 200 HH22 ARG 31 2HH2 ARG 31 5.549 -5.252 2.669 201 H LEU 32 H LEU 32 0.949 -1.420 1.250 202 HA LEU 32 HA LEU 32 2.405 -3.776 2.214 203 HB3 LEU 32 2HB LEU 32 2.657 -1.910 3.509 204 HG LEU 32 HG LEU 32 0.895 -0.412 2.907 205 HD11 LEU 32 1HD1 LEU 32 -1.370 -0.650 3.784 206 HD12 LEU 32 2HD1 LEU 32 -0.961 -2.278 4.419 207 HD13 LEU 32 3HD1 LEU 32 -0.954 -1.893 2.669 208 HD21 LEU 32 3HD2 LEU 32 1.972 0.085 4.997 209 HD22 LEU 32 1HD2 LEU 32 0.879 -1.010 5.879 210 HD23 LEU 32 2HD2 LEU 32 0.256 0.476 5.124 211 H LEU 33 H LEU 33 -0.728 -3.319 0.960 212 HA LEU 33 HA LEU 33 -2.324 -4.891 2.634 213 HB3 LEU 33 2HB LEU 33 -3.418 -5.107 0.019 214 HG LEU 33 HG LEU 33 -4.754 -3.170 0.416 215 HD11 LEU 33 1HD1 LEU 33 -5.790 -3.790 2.606 216 HD12 LEU 33 2HD1 LEU 33 -4.433 -4.855 2.943 217 HD13 LEU 33 3HD1 LEU 33 -5.477 -5.184 1.547 218 HD21 LEU 33 3HD2 LEU 33 -4.430 -1.610 2.193 219 HD22 LEU 33 1HD2 LEU 33 -2.897 -1.782 1.369 220 HD23 LEU 33 2HD2 LEU 33 -3.141 -2.605 2.904 221 H GLY 34 H GLY 34 -0.051 -6.051 0.216 222 HA2 GLY 34 1HA GLY 34 -1.414 -8.538 -0.279 223 HA3 GLY 34 2HA GLY 34 0.291 -8.234 -0.578 224 H GLU 35 H GLU 35 0.799 -7.418 2.270 225 HA GLU 35 HA GLU 35 1.789 -9.918 3.126 226 HB3 GLU 35 2HB GLU 35 2.437 -8.692 5.139 227 HG3 GLU 35 2HG GLU 35 2.609 -6.840 2.715 228 H TRP 36 H TRP 36 -1.080 -8.143 3.933 229 HA TRP 36 HA TRP 36 -2.141 -9.782 6.078 230 HB3 TRP 36 2HB TRP 36 -3.364 -7.916 4.021 231 HD1 TRP 36 HD TRP 36 -4.784 -10.071 6.955 232 HE1 TRP 36 1HE TRP 36 -7.288 -10.437 6.548 233 HE3 TRP 36 3HE TRP 36 -5.313 -7.347 2.647 234 HZ2 TRP 36 2HZ TRP 36 -9.260 -9.706 4.580 235 HZ3 TRP 36 3HZ TRP 36 -7.538 -7.156 1.562 236 HH2 TRP 36 HH TRP 36 -9.515 -8.315 2.533 237 H ALA 37 H ALA 37 -3.384 -9.629 2.771 238 HA ALA 37 HA ALA 37 -4.853 -11.973 2.861 239 HB1 ALA 37 1HB ALA 37 -4.727 -11.661 0.284 240 HB2 ALA 37 2HB ALA 37 -5.306 -10.270 1.225 241 HB3 ALA 37 3HB ALA 37 -3.643 -10.312 0.593 242 H ALA 38 H ALA 38 -1.385 -11.706 1.910 243 HA ALA 38 HA ALA 38 -0.955 -14.074 0.627 244 HB1 ALA 38 1HB ALA 38 0.793 -12.461 1.108 245 HB2 ALA 38 2HB ALA 38 0.717 -12.833 2.848 246 HB3 ALA 38 3HB ALA 38 1.266 -14.069 1.693 247 H GLY 39 H GLY 39 -1.032 -13.807 4.256 248 HA2 GLY 39 1HA GLY 39 -0.663 -16.570 4.769 249 HA3 GLY 39 2HA GLY 39 -1.482 -15.436 5.853 250 H LEU 40 H LEU 40 -3.671 -14.711 4.199 251 HA LEU 40 HA LEU 40 -5.530 -16.750 4.652 252 HB3 LEU 40 2HB LEU 40 -6.999 -15.375 3.291 253 HG LEU 40 HG LEU 40 -6.765 -14.781 5.614 254 HD11 LEU 40 1HD1 LEU 40 -5.581 -12.741 6.295 255 HD12 LEU 40 2HD1 LEU 40 -4.691 -12.894 4.762 256 HD13 LEU 40 3HD1 LEU 40 -4.617 -14.184 6.001 257 HD21 LEU 40 3HD2 LEU 40 -8.415 -13.582 4.331 258 HD22 LEU 40 1HD2 LEU 40 -7.197 -12.390 3.802 259 HD23 LEU 40 2HD2 LEU 40 -7.712 -12.499 5.497 260 H LEU 41 H LEU 41 -3.821 -15.707 1.678 261 HA LEU 41 HA LEU 41 -4.909 -17.674 -0.118 262 HB3 LEU 41 2HB LEU 41 -2.688 -16.916 -1.364 263 HG LEU 41 HG LEU 41 -5.133 -16.291 -1.688 264 HD11 LEU 41 1HD1 LEU 41 -5.403 -14.686 0.113 265 HD12 LEU 41 2HD1 LEU 41 -5.687 -13.924 -1.468 266 HD13 LEU 41 3HD1 LEU 41 -4.152 -13.647 -0.614 267 HD21 LEU 41 3HD2 LEU 41 -4.543 -14.741 -3.497 268 HD22 LEU 41 1HD2 LEU 41 -3.183 -15.859 -3.323 269 HD23 LEU 41 2HD2 LEU 41 -3.092 -14.221 -2.629 270 H GLY 42 H GLY 42 -3.014 -18.090 2.445 271 HA2 GLY 42 1HA GLY 42 -1.855 -19.976 3.248 272 HA3 GLY 42 2HA GLY 42 -2.220 -20.807 1.728 273 H LYS 43 H LYS 43 -0.574 -17.655 1.804 274 HA LYS 43 HA LYS 43 2.007 -18.919 0.994 275 HB3 LYS 43 2HB LYS 43 2.504 -16.794 -0.031 276 HG3 LYS 43 2HG LYS 43 -0.303 -17.039 -1.082 277 HD3 LYS 43 2HD LYS 43 2.412 -17.248 -2.378 278 HE3 LYS 43 2HE LYS 43 -0.220 -16.269 -3.542 279 HZ1 LYS 43 3HZ LYS 43 1.273 -16.425 -5.577 280 HZ2 LYS 43 1HZ LYS 43 2.553 -16.351 -4.525 281 HZ3 LYS 43 2HZ LYS 43 1.502 -15.103 -4.627 282 H THR 44 H THR 44 3.859 -18.120 2.121 283 HA THR 44 HA THR 44 3.482 -15.887 3.988 284 HB THR 44 HB THR 44 4.773 -17.227 5.787 285 HG1 THR 44 1HG THR 44 5.240 -19.110 4.732 286 HG21 THR 44 3HG2 THR 44 2.393 -16.524 5.942 287 HG22 THR 44 1HG2 THR 44 2.761 -18.027 6.821 288 HG23 THR 44 2HG2 THR 44 1.914 -18.073 5.252 289 H GLY 45 H GLY 45 5.502 -15.053 4.855 290 HA2 GLY 45 1HA GLY 45 7.687 -14.536 4.849 291 HA3 GLY 45 2HA GLY 45 8.031 -16.094 4.133 292 H ASP 46 H ASP 46 8.809 -16.059 2.203 293 HA ASP 46 HA ASP 46 9.411 -13.544 0.934 294 HB3 ASP 46 2HB ASP 46 9.836 -16.180 -0.516 295 H ASP 47 H ASP 47 7.236 -16.249 -0.047 296 HA ASP 47 HA ASP 47 6.417 -15.016 -2.477 297 HB3 ASP 47 2HB ASP 47 4.319 -16.614 -1.254 298 H ALA 48 H ALA 48 5.288 -14.687 0.858 299 HA ALA 48 HA ALA 48 2.959 -13.117 0.327 300 HB1 ALA 48 1HB ALA 48 4.830 -13.065 2.752 301 HB2 ALA 48 2HB ALA 48 3.216 -12.382 2.684 302 HB3 ALA 48 3HB ALA 48 3.429 -14.142 2.546 303 H ARG 49 H ARG 49 6.481 -12.240 0.716 304 HA ARG 49 HA ARG 49 6.048 -9.453 0.715 305 HB3 ARG 49 2HB ARG 49 8.312 -11.425 0.605 306 HG3 ARG 49 2HG ARG 49 8.544 -8.472 -0.030 307 HD3 ARG 49 2HD ARG 49 10.817 -10.472 0.358 308 HE ARG 49 HE ARG 49 10.871 -7.902 -0.650 309 HH11 ARG 49 1HH1 ARG 49 12.319 -9.521 2.164 310 HH12 ARG 49 2HH1 ARG 49 13.613 -8.401 2.318 311 HH21 ARG 49 1HH2 ARG 49 12.398 -6.188 -0.179 312 HH22 ARG 49 2HH2 ARG 49 13.716 -6.523 0.887 313 H ALA 50 H ALA 50 6.877 -11.914 -1.785 314 HA ALA 50 HA ALA 50 7.283 -10.011 -3.861 315 HB1 ALA 50 1HB ALA 50 6.515 -12.960 -3.999 316 HB2 ALA 50 2HB ALA 50 7.113 -11.986 -5.367 317 HB3 ALA 50 3HB ALA 50 8.172 -12.317 -3.997 318 H TYR 51 H TYR 51 4.402 -12.019 -3.055 319 HA TYR 51 HA TYR 51 2.588 -11.027 -4.931 320 HB3 TYR 51 2HB TYR 51 2.303 -11.867 -2.027 321 HD1 TYR 51 2HD TYR 51 0.208 -11.819 -5.178 322 HD2 TYR 51 1HD TYR 51 0.367 -11.192 -0.906 323 HE1 TYR 51 2HE TYR 51 -2.174 -11.230 -5.178 324 HE2 TYR 51 1HE TYR 51 -2.020 -10.661 -0.889 325 HH TYR 51 HH TYR 51 -3.903 -10.310 -3.951 326 H ALA 52 H ALA 52 3.300 -9.701 -1.659 327 HA ALA 52 HA ALA 52 1.665 -7.423 -1.816 328 HB1 ALA 52 1HB ALA 52 4.366 -7.672 -0.414 329 HB2 ALA 52 2HB ALA 52 3.060 -6.540 0.002 330 HB3 ALA 52 3HB ALA 52 2.831 -8.284 0.249 331 H LEU 53 H LEU 53 4.760 -7.929 -3.450 332 HA LEU 53 HA LEU 53 5.260 -5.065 -3.710 333 HB3 LEU 53 2HB LEU 53 7.080 -5.907 -5.328 334 HG LEU 53 HG LEU 53 6.861 -6.636 -2.402 335 HD11 LEU 53 1HD1 LEU 53 9.230 -7.156 -2.273 336 HD12 LEU 53 2HD1 LEU 53 9.273 -7.277 -4.062 337 HD13 LEU 53 3HD1 LEU 53 8.246 -8.356 -3.080 338 HD21 LEU 53 3HD2 LEU 53 8.631 -4.661 -3.890 339 HD22 LEU 53 1HD2 LEU 53 8.562 -4.869 -2.126 340 HD23 LEU 53 2HD2 LEU 53 7.160 -4.237 -2.999 341 H THR 54 H THR 54 3.216 -7.280 -5.454 342 HA THR 54 HA THR 54 3.153 -5.347 -7.725 343 HB THR 54 HB THR 54 4.293 -7.520 -8.001 344 HG1 THR 54 1HG THR 54 4.004 -6.794 -9.820 345 HG21 THR 54 3HG2 THR 54 1.502 -8.709 -8.009 346 HG22 THR 54 1HG2 THR 54 2.780 -9.004 -6.802 347 HG23 THR 54 2HG2 THR 54 3.019 -9.531 -8.458 348 H VAL 55 H VAL 55 1.245 -6.546 -5.167 349 HA VAL 55 HA VAL 55 -1.266 -6.699 -6.374 350 HB VAL 55 HB VAL 55 -0.302 -7.663 -4.236 351 HG11 VAL 55 1HG1 VAL 55 -0.524 -6.504 -2.159 352 HG12 VAL 55 2HG1 VAL 55 0.467 -5.499 -3.232 353 HG13 VAL 55 3HG1 VAL 55 -1.234 -5.086 -2.939 354 HG21 VAL 55 3HG2 VAL 55 -2.607 -8.038 -4.809 355 HG22 VAL 55 1HG2 VAL 55 -2.383 -7.884 -3.058 356 HG23 VAL 55 2HG2 VAL 55 -3.096 -6.551 -3.984 357 H VAL 56 H VAL 56 0.188 -3.778 -6.533 358 HA VAL 56 HA VAL 56 -1.649 -2.154 -4.904 359 HB VAL 56 HB VAL 56 0.627 -1.356 -6.759 360 HG11 VAL 56 1HG1 VAL 56 -0.994 0.517 -6.489 361 HG12 VAL 56 2HG1 VAL 56 -0.847 0.372 -4.721 362 HG13 VAL 56 3HG1 VAL 56 0.544 0.857 -5.704 363 HG21 VAL 56 3HG2 VAL 56 0.489 -1.388 -3.736 364 HG22 VAL 56 1HG2 VAL 56 1.331 -2.625 -4.672 365 HG23 VAL 56 2HG2 VAL 56 1.906 -0.943 -4.707 366 H THR 57 H THR 57 -3.596 -1.904 -5.638 367 HA THR 57 HA THR 57 -4.319 -1.842 -8.450 368 HB THR 57 HB THR 57 -6.593 -1.324 -7.387 369 HG1 THR 57 1HG THR 57 -5.464 -2.246 -4.986 370 HG21 THR 57 3HG2 THR 57 -5.109 -3.834 -6.553 371 HG22 THR 57 1HG2 THR 57 -6.185 -3.607 -7.959 372 HG23 THR 57 2HG2 THR 57 -6.849 -3.542 -6.315 373 H SER 58 H SER 58 -5.501 0.524 -6.054 374 HA SER 58 HA SER 58 -4.284 2.823 -7.319 375 HB3 SER 58 2HB SER 58 -7.303 2.542 -7.671 376 HG SER 58 HG SER 58 -6.397 4.603 -8.042 377 H ASP 59 H ASP 59 -7.625 2.737 -5.849 378 HA ASP 59 HA ASP 59 -6.745 2.719 -3.156 379 HB3 ASP 59 2HB ASP 59 -7.841 5.386 -4.139 380 H PHE 60 H PHE 60 -8.621 3.184 -1.686 381 HA PHE 60 HA PHE 60 -11.132 2.153 -2.824 382 HB3 PHE 60 2HB PHE 60 -11.024 2.791 0.085 383 HD1 PHE 60 1HD PHE 60 -10.413 -0.358 -1.782 384 HD2 PHE 60 2HD PHE 60 -13.348 2.006 0.308 385 HE1 PHE 60 1HE PHE 60 -12.043 -2.248 -1.943 386 HE2 PHE 60 2HE PHE 60 -14.982 0.165 0.056 387 HZ PHE 60 HZ PHE 60 -14.332 -1.961 -1.046 388 H ASP 61 H ASP 61 -13.058 3.145 -1.505 389 HA ASP 61 HA ASP 61 -14.608 4.772 -1.208 390 HB3 ASP 61 2HB ASP 61 -14.163 7.193 -1.531 391 H GLU 62 H GLU 62 -15.510 6.656 -2.815 392 HA GLU 62 HA GLU 62 -16.280 7.280 -4.765 393 HB3 GLU 62 2HB GLU 62 -13.647 6.416 -5.971 394 HG3 GLU 62 2HG GLU 62 -15.732 8.563 -6.473 395 HA PRO 63 HA PRO 63 -17.704 3.035 -5.868 396 HB3 PRO 63 2HB PRO 63 -19.472 3.235 -4.408 397 HG3 PRO 63 2HG PRO 63 -20.428 5.333 -3.885 398 HD3 PRO 63 2HD PRO 63 -18.108 5.603 -3.500 399 H GLY 64 H GLY 64 -16.739 3.202 -7.945 400 HA2 GLY 64 1HA GLY 64 -18.615 3.246 -10.096 401 HA3 GLY 64 2HA GLY 64 -17.696 4.758 -10.100 402 H ASP 65 H ASP 65 -15.210 3.992 -9.293 403 HA ASP 65 HA ASP 65 -13.962 3.463 -11.670 404 HB3 ASP 65 2HB ASP 65 -12.906 2.907 -8.868 405 H GLU 66 H GLU 66 -14.389 1.137 -9.012 406 HA GLU 66 HA GLU 66 -14.320 -1.031 -8.821 407 HB3 GLU 66 2HB GLU 66 -14.916 -1.379 -11.773 408 HG3 GLU 66 2HG GLU 66 -15.075 -3.113 -9.282 409 H ASP 67 H ASP 67 -13.129 -2.872 -10.535 410 HA ASP 67 HA ASP 67 -11.250 -3.998 -10.759 411 HB3 ASP 67 2HB ASP 67 -9.144 -2.769 -11.506 412 H VAL 68 H VAL 68 -10.598 -1.170 -8.674 413 HA VAL 68 HA VAL 68 -8.553 -2.194 -7.107 414 HB VAL 68 HB VAL 68 -10.875 -0.401 -6.322 415 HG11 VAL 68 1HG1 VAL 68 -9.931 -1.308 -4.266 416 HG12 VAL 68 2HG1 VAL 68 -8.287 -0.852 -4.797 417 HG13 VAL 68 3HG1 VAL 68 -9.513 0.382 -4.446 418 HG21 VAL 68 3HG2 VAL 68 -9.281 1.435 -6.636 419 HG22 VAL 68 1HG2 VAL 68 -8.036 0.292 -7.140 420 HG23 VAL 68 2HG2 VAL 68 -9.500 0.530 -8.127 421 H PHE 69 H PHE 69 -12.041 -2.485 -6.226 422 HA PHE 69 HA PHE 69 -11.534 -4.516 -4.204 423 HB3 PHE 69 2HB PHE 69 -14.033 -3.434 -5.564 424 HD1 PHE 69 2HD PHE 69 -15.005 -5.737 -6.030 425 HD2 PHE 69 1HD PHE 69 -14.004 -4.387 -2.051 426 HE1 PHE 69 2HE PHE 69 -16.306 -7.607 -5.065 427 HE2 PHE 69 1HE PHE 69 -15.320 -6.229 -1.098 428 HZ PHE 69 HZ PHE 69 -16.429 -7.895 -2.595 429 H ARG 70 H ARG 70 -12.574 -4.545 -7.593 430 HA ARG 70 HA ARG 70 -13.587 -7.157 -7.789 431 HB3 ARG 70 2HB ARG 70 -11.988 -5.663 -9.876 432 HG3 ARG 70 2HG ARG 70 -12.592 -7.993 -10.581 433 HD3 ARG 70 2HD ARG 70 -15.409 -6.832 -10.348 434 HE ARG 70 HE ARG 70 -14.880 -9.501 -11.495 435 HH11 ARG 70 1HH1 ARG 70 -16.056 -6.120 -12.200 436 HH12 ARG 70 2HH1 ARG 70 -16.751 -6.672 -13.687 437 HH21 ARG 70 1HH2 ARG 70 -15.840 -10.000 -13.468 438 HH22 ARG 70 2HH2 ARG 70 -16.707 -8.761 -14.370 439 H LYS 71 H LYS 71 -10.207 -6.076 -8.303 440 HA LYS 71 HA LYS 71 -9.264 -8.717 -8.942 441 HB3 LYS 71 2HB LYS 71 -7.003 -7.491 -8.345 442 HG3 LYS 71 2HG LYS 71 -7.541 -7.954 -10.586 443 HD3 LYS 71 2HD LYS 71 -9.517 -5.649 -10.607 444 HE3 LYS 71 2HE LYS 71 -9.868 -6.234 -12.984 445 HZ1 LYS 71 3HZ LYS 71 -8.070 -5.016 -13.822 446 HZ2 LYS 71 1HZ LYS 71 -7.080 -5.376 -12.547 447 HZ3 LYS 71 2HZ LYS 71 -8.382 -4.383 -12.372 448 H LEU 72 H LEU 72 -9.442 -6.909 -5.796 449 HA LEU 72 HA LEU 72 -7.988 -8.937 -4.441 450 HB3 LEU 72 2HB LEU 72 -9.981 -7.672 -2.719 451 HG LEU 72 HG LEU 72 -6.975 -7.205 -2.953 452 HD11 LEU 72 1HD1 LEU 72 -8.854 -6.825 -0.589 453 HD12 LEU 72 2HD1 LEU 72 -8.326 -5.515 -1.667 454 HD13 LEU 72 3HD1 LEU 72 -7.134 -6.379 -0.683 455 HD21 LEU 72 3HD2 LEU 72 -7.259 -9.541 -2.558 456 HD22 LEU 72 1HD2 LEU 72 -8.561 -9.234 -1.398 457 HD23 LEU 72 2HD2 LEU 72 -6.875 -8.805 -0.993 458 H ALA 73 H ALA 73 -11.565 -8.399 -4.850 459 HA ALA 73 HA ALA 73 -12.258 -10.710 -3.316 460 HB1 ALA 73 1HB ALA 73 -13.852 -9.318 -5.513 461 HB2 ALA 73 2HB ALA 73 -14.490 -10.410 -4.255 462 HB3 ALA 73 3HB ALA 73 -13.806 -8.842 -3.799 463 H ALA 74 H ALA 74 -11.129 -10.440 -6.615 464 HA ALA 74 HA ALA 74 -11.788 -13.141 -7.413 465 HB1 ALA 74 1HB ALA 74 -9.743 -11.114 -8.396 466 HB2 ALA 74 2HB ALA 74 -9.917 -12.726 -9.066 467 HB3 ALA 74 3HB ALA 74 -11.276 -11.572 -9.148 468 H ASP 75 H ASP 75 -8.648 -11.649 -6.358 469 HA ASP 75 HA ASP 75 -7.308 -14.176 -6.177 470 HB3 ASP 75 2HB ASP 75 -5.863 -12.402 -4.566 471 H LEU 76 H LEU 76 -9.323 -12.513 -3.938 472 HA LEU 76 HA LEU 76 -8.473 -14.133 -1.638 473 HB3 LEU 76 2HB LEU 76 -10.146 -11.613 -1.545 474 HG LEU 76 HG LEU 76 -9.610 -12.831 0.635 475 HD11 LEU 76 1HD1 LEU 76 -7.253 -12.542 1.474 476 HD12 LEU 76 2HD1 LEU 76 -6.816 -11.941 -0.152 477 HD13 LEU 76 3HD1 LEU 76 -7.347 -13.595 0.058 478 HD21 LEU 76 3HD2 LEU 76 -8.149 -10.182 0.685 479 HD22 LEU 76 1HD2 LEU 76 -9.238 -10.911 1.880 480 HD23 LEU 76 2HD2 LEU 76 -9.882 -10.215 0.376 481 H GLU 77 H GLU 77 -10.439 -14.853 -3.868 482 HA GLU 77 HA GLU 77 -13.077 -15.153 -2.986 483 HB3 GLU 77 2HB GLU 77 -11.271 -16.985 -4.631 484 HG3 GLU 77 2HG GLU 77 -14.303 -16.703 -4.707 485 H GLY 78 H GLY 78 -13.682 -16.012 -1.077 486 HA2 GLY 78 1HA GLY 78 -14.038 -17.724 0.476 487 HA3 GLY 78 2HA GLY 78 -12.615 -18.569 -0.103 488 H LYS 79 H LYS 79 -11.641 -15.453 0.429 489 HA LYS 79 HA LYS 79 -11.069 -15.792 3.314 490 HB3 LYS 79 2HB LYS 79 -8.897 -16.202 2.924 491 HG3 LYS 79 2HG LYS 79 -7.636 -15.618 0.846 492 HD3 LYS 79 2HD LYS 79 -8.688 -16.916 -1.015 493 HE3 LYS 79 2HE LYS 79 -6.998 -17.888 0.589 494 HZ1 LYS 79 3HZ LYS 79 -8.544 -18.078 2.496 495 HZ2 LYS 79 1HZ LYS 79 -7.837 -19.500 2.084 496 HZ3 LYS 79 2HZ LYS 79 -9.399 -19.229 1.635 497 H ALA 80 H ALA 80 -12.834 -13.990 1.321 498 HA ALA 80 HA ALA 80 -12.400 -11.594 3.002 499 HB1 ALA 80 1HB ALA 80 -13.239 -10.869 0.271 500 HB2 ALA 80 2HB ALA 80 -11.965 -10.193 1.300 501 HB3 ALA 80 3HB ALA 80 -11.664 -11.628 0.284 502 H ASP 81 H ASP 81 -14.231 -10.013 2.452 503 HA ASP 81 HA ASP 81 -16.663 -11.175 1.464 504 HB3 ASP 81 2HB ASP 81 -17.883 -9.706 3.336 505 H GLU 82 H GLU 82 -18.133 -9.454 1.282 506 HA GLU 82 HA GLU 82 -17.080 -7.340 -0.422 507 HB3 GLU 82 2HB GLU 82 -19.588 -6.707 -0.432 508 HG3 GLU 82 2HG GLU 82 -18.641 -9.435 -1.427 509 H GLU 83 H GLU 83 -17.953 -7.521 2.981 510 HA GLU 83 HA GLU 83 -17.746 -4.551 3.177 511 HB3 GLU 83 2HB GLU 83 -18.869 -4.714 5.271 512 HG3 GLU 83 2HG GLU 83 -20.338 -6.644 3.417 513 H THR 84 H THR 84 -15.837 -7.328 3.554 514 HA THR 84 HA THR 84 -14.338 -6.345 5.894 515 HB THR 84 HB THR 84 -14.190 -8.816 4.146 516 HG1 THR 84 1HG THR 84 -15.758 -8.695 5.845 517 HG21 THR 84 3HG2 THR 84 -11.847 -8.348 4.723 518 HG22 THR 84 1HG2 THR 84 -12.460 -9.685 5.702 519 HG23 THR 84 2HG2 THR 84 -12.307 -8.069 6.423 520 H ILE 85 H ILE 85 -13.849 -6.611 2.300 521 HA ILE 85 HA ILE 85 -11.130 -5.756 2.383 522 HB ILE 85 HB ILE 85 -13.210 -5.372 0.197 523 HG13 ILE 85 2HG1 ILE 85 -12.537 -7.794 1.038 524 HG21 ILE 85 1HG2 ILE 85 -11.411 -3.827 -0.223 525 HG22 ILE 85 2HG2 ILE 85 -10.186 -5.056 0.119 526 HG23 ILE 85 3HG2 ILE 85 -11.207 -5.172 -1.336 527 HD11 ILE 85 3HD1 ILE 85 -12.033 -8.758 -1.214 528 HD12 ILE 85 1HD1 ILE 85 -13.531 -7.834 -1.091 529 HD13 ILE 85 2HD1 ILE 85 -12.111 -7.122 -1.887 530 H ARG 86 H ARG 86 -14.169 -3.777 2.005 531 HA ARG 86 HA ARG 86 -12.877 -1.368 1.900 532 HB3 ARG 86 2HB ARG 86 -15.400 -1.791 1.670 533 HG3 ARG 86 2HG ARG 86 -15.417 -2.373 4.416 534 HD3 ARG 86 2HD ARG 86 -16.453 0.439 3.945 535 HE ARG 86 HE ARG 86 -16.962 -1.428 6.093 536 HH11 ARG 86 1HH1 ARG 86 -16.759 2.023 5.183 537 HH12 ARG 86 2HH1 ARG 86 -17.555 2.584 6.608 538 HH21 ARG 86 1HH2 ARG 86 -18.209 -0.658 7.877 539 HH22 ARG 86 2HH2 ARG 86 -18.295 1.038 8.244 540 H ALA 87 H ALA 87 -13.147 -3.435 4.723 541 HA ALA 87 HA ALA 87 -12.470 -1.211 6.514 542 HB1 ALA 87 1HB ALA 87 -14.274 -2.770 7.211 543 HB2 ALA 87 2HB ALA 87 -13.134 -4.133 7.110 544 HB3 ALA 87 3HB ALA 87 -12.894 -2.850 8.316 545 H LYS 88 H LYS 88 -10.753 -3.365 4.555 546 HA LYS 88 HA LYS 88 -8.455 -3.431 6.463 547 HB3 LYS 88 2HB LYS 88 -7.509 -4.597 4.157 548 HG3 LYS 88 2HG LYS 88 -7.444 -5.469 6.507 549 HD3 LYS 88 2HD LYS 88 -10.193 -6.546 5.745 550 HE3 LYS 88 2HE LYS 88 -8.226 -7.358 7.899 551 HZ1 LYS 88 3HZ LYS 88 -11.097 -7.154 8.133 552 HZ2 LYS 88 1HZ LYS 88 -9.954 -7.301 9.276 553 HZ3 LYS 88 2HZ LYS 88 -10.492 -8.646 8.488 554 H MET 89 H MET 89 -8.976 -2.521 3.015 555 HA MET 89 HA MET 89 -6.350 -1.530 3.000 556 HB3 MET 89 2HB MET 89 -6.524 -0.942 0.795 557 HG3 MET 89 2HG MET 89 -8.976 -2.681 0.689 558 HE1 MET 89 3HE MET 89 -8.533 -1.349 -2.053 559 HE2 MET 89 1HE MET 89 -8.341 -2.798 -3.058 560 HE3 MET 89 2HE MET 89 -9.518 -2.814 -1.732 561 H VAL 90 H VAL 90 -9.275 0.181 3.831 562 HA VAL 90 HA VAL 90 -8.317 2.842 3.729 563 HB VAL 90 HB VAL 90 -10.422 1.609 5.567 564 HG11 VAL 90 1HG1 VAL 90 -9.809 3.937 6.204 565 HG12 VAL 90 2HG1 VAL 90 -10.080 4.470 4.535 566 HG13 VAL 90 3HG1 VAL 90 -11.437 3.878 5.509 567 HG21 VAL 90 3HG2 VAL 90 -12.068 2.199 3.873 568 HG22 VAL 90 1HG2 VAL 90 -10.795 2.801 2.775 569 HG23 VAL 90 2HG2 VAL 90 -10.918 1.074 3.190 570 H GLU 91 H GLU 91 -8.192 0.372 6.420 571 HA GLU 91 HA GLU 91 -7.516 2.193 8.469 572 HB3 GLU 91 2HB GLU 91 -6.518 0.160 9.583 573 HG3 GLU 91 2HG GLU 91 -9.244 -0.414 8.404 574 H LEU 92 H LEU 92 -5.485 0.335 6.254 575 HA LEU 92 HA LEU 92 -3.036 0.721 7.711 576 HB3 LEU 92 2HB LEU 92 -2.048 -0.387 5.754 577 HG LEU 92 HG LEU 92 -4.334 -1.604 7.244 578 HD11 LEU 92 1HD1 LEU 92 -4.663 -2.424 4.890 579 HD12 LEU 92 2HD1 LEU 92 -4.314 -3.679 6.102 580 HD13 LEU 92 3HD1 LEU 92 -3.050 -3.159 4.983 581 HD21 LEU 92 3HD2 LEU 92 -1.417 -2.400 6.771 582 HD22 LEU 92 1HD2 LEU 92 -2.543 -3.228 7.856 583 HD23 LEU 92 2HD2 LEU 92 -2.057 -1.558 8.191 584 H ARG 93 H ARG 93 -4.787 2.864 5.917 585 HA ARG 93 HA ARG 93 -2.881 4.383 4.556 586 HB3 ARG 93 2HB ARG 93 -5.348 5.108 6.158 587 HG3 ARG 93 2HG ARG 93 -3.937 6.900 4.139 588 HD3 ARG 93 2HD ARG 93 -6.694 6.789 5.385 589 HE ARG 93 HE ARG 93 -5.176 9.195 5.383 590 HH11 ARG 93 1HH1 ARG 93 -8.409 7.950 4.499 591 HH12 ARG 93 2HH1 ARG 93 -9.200 9.450 4.923 592 HH21 ARG 93 1HH2 ARG 93 -6.254 11.161 5.736 593 HH22 ARG 93 2HH2 ARG 93 -7.996 11.265 5.600 594 H ALA 94 H ALA 94 -3.547 4.018 8.045 595 HA ALA 94 HA ALA 94 -1.822 6.219 8.871 596 HB1 ALA 94 1HB ALA 94 -2.788 3.756 10.399 597 HB2 ALA 94 2HB ALA 94 -1.973 5.164 11.095 598 HB3 ALA 94 3HB ALA 94 -3.568 5.360 10.375 599 H THR 95 H THR 95 -1.381 2.625 8.860 600 HA THR 95 HA THR 95 1.242 2.442 9.581 601 HB THR 95 HB THR 95 -0.200 0.745 7.508 602 HG1 THR 95 1HG THR 95 -0.550 0.601 10.311 603 HG21 THR 95 3HG2 THR 95 0.846 -1.167 8.577 604 HG22 THR 95 1HG2 THR 95 1.622 -0.129 9.782 605 HG23 THR 95 2HG2 THR 95 2.098 -0.014 8.079 606 H ALA 96 H ALA 96 -0.081 3.289 6.401 607 HA ALA 96 HA ALA 96 2.148 2.878 4.800 608 HB1 ALA 96 1HB ALA 96 -0.175 3.434 4.022 609 HB2 ALA 96 2HB ALA 96 0.081 5.118 4.526 610 HB3 ALA 96 3HB ALA 96 1.052 4.452 3.230 611 H ARG 97 H ARG 97 1.301 5.989 6.493 612 HA ARG 97 HA ARG 97 3.790 7.146 5.541 613 HB3 ARG 97 2HB ARG 97 1.886 8.619 6.003 614 HG3 ARG 97 2HG ARG 97 2.379 8.064 8.980 615 HD3 ARG 97 2HD ARG 97 0.367 9.508 9.255 616 HE ARG 97 HE ARG 97 2.777 10.473 9.235 617 HH11 ARG 97 1HH1 ARG 97 -0.129 11.723 7.690 618 HH12 ARG 97 2HH1 ARG 97 0.421 13.350 7.519 619 HH21 ARG 97 1HH2 ARG 97 3.588 12.708 9.020 620 HH22 ARG 97 2HH2 ARG 97 2.514 13.925 8.413 621 H GLU 98 H GLU 98 2.793 5.449 8.526 622 HA GLU 98 HA GLU 98 4.893 6.212 10.148 623 HB3 GLU 98 2HB GLU 98 4.397 3.850 11.077 624 HG3 GLU 98 2HG GLU 98 2.118 5.833 11.027 625 H GLN 99 H GLN 99 4.696 3.342 7.901 626 HA GLN 99 HA GLN 99 7.116 2.242 8.737 627 HB3 GLN 99 2HB GLN 99 7.130 1.340 6.300 628 HG3 GLN 99 2HG GLN 99 4.633 0.834 7.976 629 HE21 GLN 99 1HE2 GLN 99 3.550 -0.098 6.166 630 HE22 GLN 99 2HE2 GLN 99 4.168 -1.557 5.399 631 H ILE 100 H ILE 100 6.700 4.973 6.494 632 HA ILE 100 HA ILE 100 9.470 4.824 5.553 633 HB ILE 100 HB ILE 100 7.485 7.099 5.561 634 HG13 ILE 100 2HG1 ILE 100 7.149 6.501 3.115 635 HG21 ILE 100 1HG2 ILE 100 10.125 6.714 4.109 636 HG22 ILE 100 2HG2 ILE 100 8.920 7.923 3.593 637 HG23 ILE 100 3HG2 ILE 100 9.632 8.030 5.188 638 HD11 ILE 100 3HD1 ILE 100 7.528 4.324 2.277 639 HD12 ILE 100 1HD1 ILE 100 9.079 4.841 2.931 640 HD13 ILE 100 2HD1 ILE 100 8.075 3.713 3.854 641 H ILE 101 H ILE 101 7.681 6.534 8.123 642 HA ILE 101 HA ILE 101 9.975 8.106 8.991 643 HB ILE 101 HB ILE 101 7.198 7.562 10.121 644 HG13 ILE 101 2HG1 ILE 101 7.430 8.848 7.898 645 HG21 ILE 101 1HG2 ILE 101 9.276 9.583 11.073 646 HG22 ILE 101 2HG2 ILE 101 7.577 9.526 11.613 647 HG23 ILE 101 3HG2 ILE 101 8.655 8.191 11.982 648 HD11 ILE 101 3HD1 ILE 101 5.430 9.150 9.318 649 HD12 ILE 101 1HD1 ILE 101 6.243 10.524 10.119 650 HD13 ILE 101 2HD1 ILE 101 5.889 10.579 8.380 651 H SER 102 H SER 102 8.979 4.884 9.286 652 HA SER 102 HA SER 102 10.403 4.319 11.823 653 HB3 SER 102 2HB SER 102 9.137 2.434 9.775 654 HG SER 102 HG SER 102 9.300 1.946 12.554 655 H GLU 103 H GLU 103 10.778 3.917 8.252 656 HA GLU 103 HA GLU 103 13.563 2.971 8.640 657 HB3 GLU 103 2HB GLU 103 13.198 1.460 6.801 658 HG3 GLU 103 2HG GLU 103 10.801 1.064 8.629 659 H ILE 104 H ILE 104 13.693 5.462 8.500 660 HA ILE 104 HA ILE 104 13.219 6.766 6.042 661 HB ILE 104 HB ILE 104 15.310 7.408 8.188 662 HG13 ILE 104 2HG1 ILE 104 12.415 8.229 7.790 663 HG21 ILE 104 1HG2 ILE 104 16.007 8.436 6.128 664 HG22 ILE 104 2HG2 ILE 104 14.387 9.074 5.820 665 HG23 ILE 104 3HG2 ILE 104 15.355 9.693 7.185 666 HD11 ILE 104 3HD1 ILE 104 12.939 6.713 9.703 667 HD12 ILE 104 1HD1 ILE 104 14.150 7.881 10.279 668 HD13 ILE 104 2HD1 ILE 104 12.440 8.318 10.268 Start of MODEL 16 1 H1 MET 1 H MET 1 7.379 5.308 -13.420 2 HA MET 1 HA MET 1 8.613 7.424 -13.804 3 HB3 MET 1 2HB MET 1 7.276 8.836 -12.159 4 HG3 MET 1 2HG MET 1 5.961 6.771 -13.972 5 HE1 MET 1 3HE MET 1 3.826 7.193 -15.308 6 HE2 MET 1 1HE MET 1 2.775 8.615 -15.130 7 HE3 MET 1 2HE MET 1 4.405 8.799 -15.819 8 H THR 2 H THR 2 10.735 7.397 -13.496 9 HA THR 2 HA THR 2 11.823 6.833 -10.832 10 HB THR 2 HB THR 2 12.198 5.508 -12.962 11 HG1 THR 2 1HG THR 2 14.741 6.136 -12.094 12 HG21 THR 2 3HG2 THR 2 14.247 7.617 -13.671 13 HG22 THR 2 1HG2 THR 2 12.656 7.486 -14.454 14 HG23 THR 2 2HG2 THR 2 13.796 6.146 -14.568 15 H THR 3 H THR 3 11.593 9.537 -13.029 16 HA THR 3 HA THR 3 12.688 11.529 -13.210 17 HB THR 3 HB THR 3 12.314 11.645 -10.215 18 HG1 THR 3 1HG THR 3 10.504 10.727 -10.541 19 HG21 THR 3 3HG2 THR 3 12.904 13.747 -11.425 20 HG22 THR 3 1HG2 THR 3 11.253 13.814 -10.795 21 HG23 THR 3 2HG2 THR 3 11.521 13.503 -12.521 22 H PHE 4 H PHE 4 14.781 9.818 -13.427 23 HA PHE 4 HA PHE 4 16.842 9.178 -12.978 24 HB3 PHE 4 2HB PHE 4 18.467 10.863 -12.828 25 HD1 PHE 4 1HD PHE 4 18.341 10.117 -15.244 26 HD2 PHE 4 2HD PHE 4 16.088 13.460 -13.710 27 HE1 PHE 4 1HE PHE 4 18.097 11.013 -17.536 28 HE2 PHE 4 2HE PHE 4 15.905 14.383 -15.994 29 HZ PHE 4 HZ PHE 4 16.915 13.165 -17.926 30 H ASP 5 H ASP 5 15.911 7.900 -11.147 31 HA ASP 5 HA ASP 5 15.988 8.820 -8.478 32 HB3 ASP 5 2HB ASP 5 14.954 6.572 -9.570 33 H ASP 6 H ASP 6 17.509 8.691 -6.881 34 HA ASP 6 HA ASP 6 20.176 7.598 -7.528 35 HB3 ASP 6 2HB ASP 6 19.661 10.563 -7.059 36 H ARG 7 H ARG 7 19.300 10.120 -5.164 37 HA ARG 7 HA ARG 7 19.931 8.185 -2.967 38 HB3 ARG 7 2HB ARG 7 20.796 10.319 -1.834 39 HG3 ARG 7 2HG ARG 7 22.194 9.023 -4.200 40 HD3 ARG 7 2HD ARG 7 24.286 9.911 -3.063 41 HE ARG 7 HE ARG 7 22.937 10.984 -5.115 42 HH11 ARG 7 1HH1 ARG 7 24.262 12.796 -2.353 43 HH12 ARG 7 2HH1 ARG 7 24.795 14.115 -3.347 44 HH21 ARG 7 1HH2 ARG 7 23.576 12.643 -6.362 45 HH22 ARG 7 2HH2 ARG 7 24.436 14.001 -5.719 46 H GLU 8 H GLU 8 17.559 7.920 -3.657 47 HA GLU 8 HA GLU 8 15.631 9.819 -2.988 48 HB3 GLU 8 2HB GLU 8 14.990 6.903 -2.700 49 HG3 GLU 8 2HG GLU 8 13.956 9.129 -4.517 50 H ARG 9 H ARG 9 17.234 7.447 -1.078 51 HA ARG 9 HA ARG 9 15.576 7.455 1.253 52 HB3 ARG 9 2HB ARG 9 17.118 5.651 0.759 53 HG3 ARG 9 2HG ARG 9 19.556 6.467 1.929 54 HD3 ARG 9 2HD ARG 9 20.580 6.087 -0.277 55 HE ARG 9 HE ARG 9 18.778 4.189 0.954 56 HH11 ARG 9 1HH1 ARG 9 20.739 4.564 -1.974 57 HH12 ARG 9 2HH1 ARG 9 20.951 2.863 -2.220 58 HH21 ARG 9 1HH2 ARG 9 19.056 2.046 0.706 59 HH22 ARG 9 2HH2 ARG 9 20.177 1.393 -0.463 60 H ALA 10 H ALA 10 17.219 7.792 3.376 61 HA ALA 10 HA ALA 10 17.680 9.227 5.024 62 HB1 ALA 10 1HB ALA 10 18.902 11.054 2.942 63 HB2 ALA 10 2HB ALA 10 19.196 11.050 4.686 64 HB3 ALA 10 3HB ALA 10 19.714 9.668 3.718 65 H HIS 11 H HIS 11 15.095 9.239 4.204 66 HA HIS 11 HA HIS 11 14.046 11.910 4.155 67 HB3 HIS 11 2HB HIS 11 12.613 10.212 3.469 68 HD1 HIS 11 1HD HIS 11 11.189 8.006 3.822 69 HD2 HIS 11 2HD HIS 11 14.180 8.802 6.696 70 HE1 HIS 11 1HE HIS 11 11.452 5.868 5.248 71 H GLU 12 H GLU 12 16.037 10.848 6.448 72 HA GLU 12 HA GLU 12 14.841 11.140 8.961 73 HB3 GLU 12 2HB GLU 12 16.906 10.106 8.936 74 HG3 GLU 12 2HG GLU 12 17.907 12.415 7.261 75 H ALA 13 H ALA 13 13.529 12.826 9.305 76 HA ALA 13 HA ALA 13 12.664 14.868 9.397 77 HB1 ALA 13 1HB ALA 13 14.329 15.015 11.194 78 HB2 ALA 13 2HB ALA 13 15.477 15.753 10.061 79 HB3 ALA 13 3HB ALA 13 13.967 16.583 10.461 80 H LYS 14 H LYS 14 14.096 14.097 6.730 81 HA LYS 14 HA LYS 14 14.259 16.730 5.431 82 HB3 LYS 14 2HB LYS 14 14.474 15.174 3.368 83 HG3 LYS 14 2HG LYS 14 16.719 14.683 5.311 84 HD3 LYS 14 2HD LYS 14 16.563 15.681 2.430 85 HE3 LYS 14 2HE LYS 14 18.969 14.534 3.897 86 HZ1 LYS 14 3HZ LYS 14 20.098 15.726 2.042 87 HZ2 LYS 14 1HZ LYS 14 18.674 16.138 1.424 88 HZ3 LYS 14 2HZ LYS 14 19.109 14.556 1.457 89 H PHE 15 H PHE 15 11.545 14.835 6.294 90 HA PHE 15 HA PHE 15 10.010 14.868 3.938 91 HB3 PHE 15 2HB PHE 15 8.120 15.401 5.820 92 HD1 PHE 15 2HD PHE 15 10.420 12.716 4.577 93 HD2 PHE 15 1HD PHE 15 6.647 13.655 6.419 94 HE1 PHE 15 2HE PHE 15 9.722 10.344 4.384 95 HE2 PHE 15 1HE PHE 15 5.936 11.288 6.178 96 HZ PHE 15 HZ PHE 15 7.488 9.617 5.226 97 H ALA 16 H ALA 16 10.817 17.565 6.046 98 HA ALA 16 HA ALA 16 8.819 19.366 4.968 99 HB1 ALA 16 1HB ALA 16 11.286 19.920 6.642 100 HB2 ALA 16 2HB ALA 16 9.892 20.992 6.419 101 HB3 ALA 16 3HB ALA 16 9.690 19.454 7.292 102 H HIS 17 H HIS 17 11.387 18.114 3.297 103 HA HIS 17 HA HIS 17 11.834 20.563 1.728 104 HB3 HIS 17 2HB HIS 17 14.141 18.760 2.563 105 HD1 HIS 17 1HD HIS 17 15.558 19.617 0.355 106 HD2 HIS 17 2HD HIS 17 13.894 22.571 2.870 107 HE1 HIS 17 1HE HIS 17 16.647 21.784 -0.319 108 H ASP 18 H ASP 18 13.111 19.863 -0.288 109 HA ASP 18 HA ASP 18 13.617 18.574 -2.079 110 HB3 ASP 18 2HB ASP 18 14.040 16.030 -1.517 111 H ALA 19 H ALA 19 12.938 16.178 -3.092 112 HA ALA 19 HA ALA 19 9.949 16.073 -3.128 113 HB1 ALA 19 1HB ALA 19 11.907 15.534 -5.413 114 HB2 ALA 19 2HB ALA 19 10.134 15.355 -5.476 115 HB3 ALA 19 3HB ALA 19 10.863 16.970 -5.273 116 H GLU 20 H GLU 20 13.064 14.363 -3.304 117 HA GLU 20 HA GLU 20 12.499 11.830 -3.858 118 HB3 GLU 20 2HB GLU 20 14.326 11.309 -2.100 119 HG3 GLU 20 2HG GLU 20 14.909 11.708 -4.471 120 H LEU 21 H LEU 21 12.281 13.009 -0.329 121 HA LEU 21 HA LEU 21 11.281 10.626 0.548 122 HB3 LEU 21 2HB LEU 21 11.287 11.804 2.560 123 HG LEU 21 HG LEU 21 13.095 13.145 2.710 124 HD11 LEU 21 1HD1 LEU 21 14.142 11.754 0.274 125 HD12 LEU 21 2HD1 LEU 21 13.706 10.848 1.716 126 HD13 LEU 21 3HD1 LEU 21 14.953 12.098 1.804 127 HD21 LEU 21 3HD2 LEU 21 14.267 14.534 1.280 128 HD22 LEU 21 1HD2 LEU 21 12.554 14.970 1.346 129 HD23 LEU 21 2HD2 LEU 21 13.247 14.169 -0.080 130 H ASN 22 H ASN 22 9.647 13.709 -0.307 131 HA ASN 22 HA ASN 22 7.063 13.086 0.503 132 HB3 ASN 22 2HB ASN 22 7.823 14.736 -1.952 133 HD21 ASN 22 1HD2 ASN 22 5.706 14.299 -2.828 134 HD22 ASN 22 2HD2 ASN 22 4.258 14.876 -2.038 135 H PHE 23 H PHE 23 8.689 12.445 -2.628 136 HA PHE 23 HA PHE 23 6.552 11.498 -4.101 137 HB3 PHE 23 2HB PHE 23 9.155 10.020 -4.307 138 HD1 PHE 23 1HD PHE 23 6.741 9.308 -5.782 139 HD2 PHE 23 2HD PHE 23 9.573 12.446 -6.630 140 HE1 PHE 23 1HE PHE 23 6.230 9.119 -8.200 141 HE2 PHE 23 2HE PHE 23 9.003 12.302 -9.035 142 HZ PHE 23 HZ PHE 23 7.370 10.607 -9.836 143 H LYS 24 H LYS 24 8.682 9.599 -1.928 144 HA LYS 24 HA LYS 24 7.215 7.120 -2.089 145 HB3 LYS 24 2HB LYS 24 8.253 6.848 0.275 146 HG3 LYS 24 2HG LYS 24 10.385 7.475 -1.755 147 HD3 LYS 24 2HD LYS 24 9.894 5.216 0.265 148 HE3 LYS 24 2HE LYS 24 11.301 4.462 -1.668 149 HZ1 LYS 24 3HZ LYS 24 12.830 6.800 -0.822 150 HZ2 LYS 24 1HZ LYS 24 12.584 6.209 -2.355 151 HZ3 LYS 24 2HZ LYS 24 13.650 5.469 -1.337 152 H ALA 25 H ALA 25 7.147 9.754 0.322 153 HA ALA 25 HA ALA 25 5.221 8.372 1.895 154 HB1 ALA 25 1HB ALA 25 6.094 11.297 2.086 155 HB2 ALA 25 2HB ALA 25 5.350 10.335 3.378 156 HB3 ALA 25 3HB ALA 25 6.974 9.928 2.790 157 H GLU 26 H GLU 26 4.727 10.551 -0.692 158 HA GLU 26 HA GLU 26 2.021 11.318 -0.314 159 HB3 GLU 26 2HB GLU 26 3.891 10.733 -2.641 160 HG3 GLU 26 2HG GLU 26 1.204 12.104 -2.918 161 H ALA 27 H ALA 27 3.601 8.409 -1.687 162 HA ALA 27 HA ALA 27 1.114 7.813 -3.035 163 HB1 ALA 27 1HB ALA 27 2.547 6.472 -4.448 164 HB2 ALA 27 2HB ALA 27 3.326 8.022 -4.110 165 HB3 ALA 27 3HB ALA 27 3.869 6.555 -3.262 166 H ARG 28 H ARG 28 1.548 6.929 -0.138 167 HA ARG 28 HA ARG 28 1.827 4.002 -0.445 168 HB3 ARG 28 2HB ARG 28 3.585 4.805 0.735 169 HG3 ARG 28 2HG ARG 28 3.009 7.092 1.235 170 HD3 ARG 28 2HD ARG 28 1.212 5.984 3.406 171 HE ARG 28 HE ARG 28 2.357 8.555 3.123 172 HH11 ARG 28 1HH1 ARG 28 -0.942 7.359 3.322 173 HH12 ARG 28 2HH1 ARG 28 -1.634 8.944 3.419 174 HH21 ARG 28 1HH2 ARG 28 1.560 10.526 3.710 175 HH22 ARG 28 2HH2 ARG 28 -0.130 10.840 3.759 176 H ARG 29 H ARG 29 -0.971 5.816 0.193 177 HA ARG 29 HA ARG 29 -1.857 4.506 2.550 178 HB3 ARG 29 2HB ARG 29 -2.633 6.706 1.617 179 HG3 ARG 29 2HG ARG 29 -4.472 4.966 -0.048 180 HD3 ARG 29 2HD ARG 29 -4.397 8.003 0.084 181 HE ARG 29 HE ARG 29 -5.904 6.175 -1.449 182 HH11 ARG 29 1HH1 ARG 29 -6.475 9.091 0.546 183 HH12 ARG 29 2HH1 ARG 29 -7.980 9.470 -0.200 184 HH21 ARG 29 1HH2 ARG 29 -8.058 6.595 -2.264 185 HH22 ARG 29 2HH2 ARG 29 -8.886 8.041 -1.761 186 H ASN 30 H ASN 30 -1.807 3.268 -0.593 187 HA ASN 30 HA ASN 30 -3.413 0.897 0.299 188 HB3 ASN 30 2HB ASN 30 -3.269 0.544 -2.381 189 HD21 ASN 30 1HD2 ASN 30 -5.184 -0.593 -1.846 190 HD22 ASN 30 2HD2 ASN 30 -6.657 0.278 -1.517 191 H ARG 31 H ARG 31 -0.142 1.915 -0.445 192 HA ARG 31 HA ARG 31 0.691 -0.479 -1.747 193 HB3 ARG 31 2HB ARG 31 1.880 1.813 -1.643 194 HG3 ARG 31 2HG ARG 31 2.503 1.684 0.893 195 HD3 ARG 31 2HD ARG 31 4.384 -0.382 -0.312 196 HE ARG 31 HE ARG 31 5.115 1.187 2.126 197 HH11 ARG 31 1HH1 ARG 31 6.330 0.110 -1.128 198 HH12 ARG 31 2HH1 ARG 31 7.907 -0.165 -0.496 199 HH21 ARG 31 1HH2 ARG 31 7.354 0.957 2.770 200 HH22 ARG 31 2HH2 ARG 31 8.501 0.449 1.603 201 H LEU 32 H LEU 32 -0.307 -0.189 1.388 202 HA LEU 32 HA LEU 32 1.310 -2.440 2.397 203 HB3 LEU 32 2HB LEU 32 1.187 -0.296 3.613 204 HG LEU 32 HG LEU 32 -1.589 -1.176 4.503 205 HD11 LEU 32 1HD1 LEU 32 0.210 1.114 5.362 206 HD12 LEU 32 2HD1 LEU 32 -0.245 -0.319 6.310 207 HD13 LEU 32 3HD1 LEU 32 -1.466 0.867 5.903 208 HD21 LEU 32 3HD2 LEU 32 -0.791 1.291 2.905 209 HD22 LEU 32 1HD2 LEU 32 -2.348 1.098 3.734 210 HD23 LEU 32 2HD2 LEU 32 -1.945 0.012 2.419 211 H LEU 33 H LEU 33 -1.608 -2.108 0.831 212 HA LEU 33 HA LEU 33 -3.357 -3.589 2.533 213 HB3 LEU 33 2HB LEU 33 -3.409 -3.088 -0.472 214 HG LEU 33 HG LEU 33 -5.078 -4.692 0.251 215 HD11 LEU 33 1HD1 LEU 33 -6.073 -2.508 2.142 216 HD12 LEU 33 2HD1 LEU 33 -5.465 -4.110 2.613 217 HD13 LEU 33 3HD1 LEU 33 -6.982 -3.982 1.735 218 HD21 LEU 33 3HD2 LEU 33 -6.292 -1.951 -0.299 219 HD22 LEU 33 1HD2 LEU 33 -7.020 -3.526 -0.692 220 HD23 LEU 33 2HD2 LEU 33 -5.556 -3.017 -1.535 221 H GLY 34 H GLY 34 -1.130 -4.476 -0.126 222 HA2 GLY 34 1HA GLY 34 -1.615 -7.264 -0.268 223 HA3 GLY 34 2HA GLY 34 -0.081 -6.429 -0.573 224 H GLU 35 H GLU 35 0.427 -5.294 1.981 225 HA GLU 35 HA GLU 35 1.631 -7.517 3.264 226 HB3 GLU 35 2HB GLU 35 2.361 -5.967 4.981 227 HG3 GLU 35 2HG GLU 35 3.170 -3.974 3.734 228 H TRP 36 H TRP 36 -1.577 -6.371 3.585 229 HA TRP 36 HA TRP 36 -2.091 -7.883 6.080 230 HB3 TRP 36 2HB TRP 36 -3.716 -6.178 4.195 231 HD1 TRP 36 HD TRP 36 -4.559 -8.280 7.354 232 HE1 TRP 36 1HE TRP 36 -6.919 -9.172 7.129 233 HE3 TRP 36 3HE TRP 36 -5.635 -6.507 2.659 234 HZ2 TRP 36 2HZ TRP 36 -9.104 -8.978 5.224 235 HZ3 TRP 36 3HZ TRP 36 -7.866 -6.918 1.652 236 HH2 TRP 36 HH TRP 36 -9.603 -8.159 2.944 237 H ALA 37 H ALA 37 -3.224 -7.984 2.676 238 HA ALA 37 HA ALA 37 -4.460 -10.470 2.717 239 HB1 ALA 37 1HB ALA 37 -2.985 -9.120 0.408 240 HB2 ALA 37 2HB ALA 37 -4.224 -10.372 0.243 241 HB3 ALA 37 3HB ALA 37 -4.662 -8.784 0.911 242 H ALA 38 H ALA 38 -1.002 -9.877 2.338 243 HA ALA 38 HA ALA 38 -0.091 -12.168 1.153 244 HB1 ALA 38 1HB ALA 38 1.320 -10.297 1.629 245 HB2 ALA 38 2HB ALA 38 1.138 -10.499 3.391 246 HB3 ALA 38 3HB ALA 38 2.014 -11.708 2.433 247 H GLY 39 H GLY 39 -0.177 -11.801 4.780 248 HA2 GLY 39 1HA GLY 39 0.397 -14.488 5.299 249 HA3 GLY 39 2HA GLY 39 -0.377 -13.368 6.423 250 H LEU 40 H LEU 40 -2.588 -13.198 4.143 251 HA LEU 40 HA LEU 40 -4.335 -15.314 5.192 252 HB3 LEU 40 2HB LEU 40 -6.052 -14.314 3.845 253 HG LEU 40 HG LEU 40 -4.394 -11.920 4.717 254 HD11 LEU 40 1HD1 LEU 40 -7.393 -12.382 4.415 255 HD12 LEU 40 2HD1 LEU 40 -6.346 -11.408 3.363 256 HD13 LEU 40 3HD1 LEU 40 -6.630 -10.901 5.024 257 HD21 LEU 40 3HD2 LEU 40 -4.559 -13.479 6.640 258 HD22 LEU 40 1HD2 LEU 40 -6.321 -13.513 6.464 259 HD23 LEU 40 2HD2 LEU 40 -5.460 -12.000 6.893 260 H LEU 41 H LEU 41 -2.739 -14.436 2.131 261 HA LEU 41 HA LEU 41 -3.145 -16.977 0.757 262 HB3 LEU 41 2HB LEU 41 -1.456 -16.041 -0.807 263 HG LEU 41 HG LEU 41 -3.593 -14.039 0.045 264 HD11 LEU 41 1HD1 LEU 41 -1.754 -13.845 -2.369 265 HD12 LEU 41 2HD1 LEU 41 -1.690 -12.800 -0.919 266 HD13 LEU 41 3HD1 LEU 41 -3.113 -12.781 -1.970 267 HD21 LEU 41 3HD2 LEU 41 -4.704 -14.725 -1.999 268 HD22 LEU 41 1HD2 LEU 41 -4.338 -16.172 -1.046 269 HD23 LEU 41 2HD2 LEU 41 -3.348 -15.765 -2.448 270 H GLY 42 H GLY 42 -1.451 -16.289 3.513 271 HA2 GLY 42 1HA GLY 42 0.026 -17.479 4.740 272 HA3 GLY 42 2HA GLY 42 0.170 -18.678 3.456 273 H LYS 43 H LYS 43 0.787 -15.606 2.156 274 HA LYS 43 HA LYS 43 3.627 -16.028 1.788 275 HB3 LYS 43 2HB LYS 43 3.494 -13.746 0.776 276 HG3 LYS 43 2HG LYS 43 1.230 -15.574 -0.125 277 HD3 LYS 43 2HD LYS 43 2.604 -13.273 -1.568 278 HE3 LYS 43 2HE LYS 43 1.005 -13.740 -3.382 279 HZ1 LYS 43 3HZ LYS 43 3.113 -15.016 -3.449 280 HZ2 LYS 43 1HZ LYS 43 1.839 -15.843 -4.134 281 HZ3 LYS 43 2HZ LYS 43 2.382 -16.263 -2.668 282 H THR 44 H THR 44 5.141 -15.426 3.248 283 HA THR 44 HA THR 44 4.535 -13.203 5.146 284 HB THR 44 HB THR 44 5.733 -14.737 6.883 285 HG1 THR 44 1HG THR 44 6.052 -16.418 5.100 286 HG21 THR 44 3HG2 THR 44 3.652 -15.741 7.640 287 HG22 THR 44 1HG2 THR 44 2.914 -15.542 6.040 288 HG23 THR 44 2HG2 THR 44 3.310 -14.117 7.024 289 H GLY 45 H GLY 45 6.366 -12.040 5.854 290 HA2 GLY 45 1HA GLY 45 8.615 -11.481 5.994 291 HA3 GLY 45 2HA GLY 45 9.014 -13.019 5.247 292 H ASP 46 H ASP 46 10.040 -12.750 3.368 293 HA ASP 46 HA ASP 46 10.103 -10.114 2.020 294 HB3 ASP 46 2HB ASP 46 11.448 -12.640 0.986 295 H ASP 47 H ASP 47 8.660 -13.328 1.726 296 HA ASP 47 HA ASP 47 7.714 -13.278 -0.953 297 HB3 ASP 47 2HB ASP 47 5.799 -14.694 0.154 298 H ALA 48 H ALA 48 6.401 -12.022 2.054 299 HA ALA 48 HA ALA 48 3.888 -11.029 0.958 300 HB1 ALA 48 1HB ALA 48 4.191 -11.623 3.339 301 HB2 ALA 48 2HB ALA 48 5.425 -10.359 3.522 302 HB3 ALA 48 3HB ALA 48 3.753 -9.904 3.152 303 H ARG 49 H ARG 49 7.002 -9.495 2.057 304 HA ARG 49 HA ARG 49 6.416 -6.942 1.268 305 HB3 ARG 49 2HB ARG 49 9.205 -7.410 0.613 306 HG3 ARG 49 2HG ARG 49 7.900 -6.432 3.164 307 HD3 ARG 49 2HD ARG 49 10.537 -6.000 1.802 308 HE ARG 49 HE ARG 49 10.779 -3.949 2.486 309 HH11 ARG 49 1HH1 ARG 49 8.238 -5.166 4.739 310 HH12 ARG 49 2HH1 ARG 49 7.678 -3.577 5.102 311 HH21 ARG 49 1HH2 ARG 49 10.178 -1.883 3.231 312 HH22 ARG 49 2HH2 ARG 49 8.771 -1.739 4.235 313 H ALA 50 H ALA 50 7.982 -9.347 -0.867 314 HA ALA 50 HA ALA 50 8.193 -7.715 -3.164 315 HB1 ALA 50 1HB ALA 50 7.939 -10.751 -2.903 316 HB2 ALA 50 2HB ALA 50 8.511 -9.880 -4.338 317 HB3 ALA 50 3HB ALA 50 9.451 -9.809 -2.837 318 H TYR 51 H TYR 51 5.524 -9.828 -2.033 319 HA TYR 51 HA TYR 51 3.865 -9.587 -4.363 320 HB3 TYR 51 2HB TYR 51 3.299 -10.262 -1.454 321 HD1 TYR 51 1HD TYR 51 1.758 -11.449 -4.639 322 HD2 TYR 51 2HD TYR 51 1.130 -9.493 -0.833 323 HE1 TYR 51 1HE TYR 51 -0.695 -11.519 -5.007 324 HE2 TYR 51 2HE TYR 51 -1.272 -9.603 -1.159 325 HH TYR 51 HH TYR 51 -2.815 -11.072 -4.090 326 H ALA 52 H ALA 52 4.144 -7.643 -1.335 327 HA ALA 52 HA ALA 52 1.863 -6.030 -1.912 328 HB1 ALA 52 1HB ALA 52 2.379 -5.764 0.262 329 HB2 ALA 52 2HB ALA 52 4.133 -5.870 -0.005 330 HB3 ALA 52 3HB ALA 52 3.260 -4.354 -0.333 331 H LEU 53 H LEU 53 5.165 -5.768 -3.116 332 HA LEU 53 HA LEU 53 5.062 -3.029 -3.881 333 HB3 LEU 53 2HB LEU 53 6.903 -3.402 -5.295 334 HG LEU 53 HG LEU 53 7.165 -5.760 -3.410 335 HD11 LEU 53 1HD1 LEU 53 8.697 -5.839 -5.309 336 HD12 LEU 53 2HD1 LEU 53 9.580 -5.505 -3.812 337 HD13 LEU 53 3HD1 LEU 53 9.252 -4.187 -4.959 338 HD21 LEU 53 3HD2 LEU 53 6.858 -3.592 -2.168 339 HD22 LEU 53 1HD2 LEU 53 8.326 -2.988 -2.962 340 HD23 LEU 53 2HD2 LEU 53 8.403 -4.409 -1.879 341 H THR 54 H THR 54 4.081 -5.989 -5.667 342 HA THR 54 HA THR 54 3.034 -4.497 -7.927 343 HB THR 54 HB THR 54 4.218 -6.559 -8.238 344 HG1 THR 54 1HG THR 54 2.797 -6.174 -9.798 345 HG21 THR 54 3HG2 THR 54 3.749 -7.875 -6.293 346 HG22 THR 54 1HG2 THR 54 3.233 -8.760 -7.722 347 HG23 THR 54 2HG2 THR 54 2.014 -7.955 -6.701 348 H VAL 55 H VAL 55 1.835 -4.577 -4.884 349 HA VAL 55 HA VAL 55 -1.008 -4.660 -5.763 350 HB VAL 55 HB VAL 55 0.246 -5.414 -3.113 351 HG11 VAL 55 1HG1 VAL 55 -1.928 -4.275 -2.725 352 HG12 VAL 55 2HG1 VAL 55 -2.689 -5.383 -3.895 353 HG13 VAL 55 3HG1 VAL 55 -2.007 -6.006 -2.385 354 HG21 VAL 55 3HG2 VAL 55 -0.627 -7.624 -3.507 355 HG22 VAL 55 1HG2 VAL 55 -1.411 -7.115 -5.017 356 HG23 VAL 55 2HG2 VAL 55 0.347 -7.190 -4.915 357 H VAL 56 H VAL 56 -1.081 -2.490 -6.364 358 HA VAL 56 HA VAL 56 -1.859 -0.999 -4.044 359 HB VAL 56 HB VAL 56 0.437 -0.137 -4.507 360 HG11 VAL 56 1HG1 VAL 56 -0.784 0.910 -7.074 361 HG12 VAL 56 2HG1 VAL 56 0.838 1.277 -6.458 362 HG13 VAL 56 3HG1 VAL 56 0.425 -0.372 -6.947 363 HG21 VAL 56 3HG2 VAL 56 -0.092 2.186 -4.293 364 HG22 VAL 56 1HG2 VAL 56 -1.729 1.941 -4.926 365 HG23 VAL 56 2HG2 VAL 56 -1.237 1.233 -3.365 366 H THR 57 H THR 57 -3.591 0.590 -4.730 367 HA THR 57 HA THR 57 -4.623 0.746 -7.313 368 HB THR 57 HB THR 57 -5.143 -1.648 -7.061 369 HG1 THR 57 1HG THR 57 -6.765 -1.157 -8.202 370 HG21 THR 57 3HG2 THR 57 -6.919 -0.837 -4.715 371 HG22 THR 57 1HG2 THR 57 -5.412 -1.781 -4.594 372 HG23 THR 57 2HG2 THR 57 -6.791 -2.438 -5.479 373 H SER 58 H SER 58 -7.275 1.326 -6.706 374 HA SER 58 HA SER 58 -7.210 3.166 -4.372 375 HB3 SER 58 2HB SER 58 -8.182 4.935 -5.824 376 HG SER 58 HG SER 58 -6.254 5.061 -7.316 377 H ASP 59 H ASP 59 -8.388 0.723 -4.196 378 HA ASP 59 HA ASP 59 -11.009 0.450 -5.182 379 HB3 ASP 59 2HB ASP 59 -10.227 -0.593 -2.488 380 H PHE 60 H PHE 60 -12.941 0.564 -4.177 381 HA PHE 60 HA PHE 60 -14.699 1.775 -3.621 382 HB3 PHE 60 2HB PHE 60 -14.871 2.314 -1.152 383 HD1 PHE 60 1HD PHE 60 -16.784 0.806 -1.639 384 HD2 PHE 60 2HD PHE 60 -12.760 -0.724 -1.305 385 HE1 PHE 60 1HE PHE 60 -17.665 -1.497 -1.487 386 HE2 PHE 60 2HE PHE 60 -13.654 -3.035 -1.214 387 HZ PHE 60 HZ PHE 60 -16.110 -3.425 -1.322 388 H ASP 61 H ASP 61 -15.702 3.763 -3.117 389 HA ASP 61 HA ASP 61 -15.982 5.953 -3.123 390 HB3 ASP 61 2HB ASP 61 -13.156 6.756 -2.662 391 H GLU 62 H GLU 62 -13.369 4.638 -5.081 392 HA GLU 62 HA GLU 62 -13.636 6.602 -7.180 393 HB3 GLU 62 2HB GLU 62 -12.766 4.558 -8.548 394 HG3 GLU 62 2HG GLU 62 -11.025 5.414 -6.220 395 HA PRO 63 HA PRO 63 -17.522 5.662 -8.615 396 HB3 PRO 63 2HB PRO 63 -16.998 7.652 -9.751 397 HG3 PRO 63 2HG PRO 63 -15.106 7.803 -11.243 398 HD3 PRO 63 2HD PRO 63 -14.379 7.410 -9.056 399 H GLY 64 H GLY 64 -16.839 3.239 -8.347 400 HA2 GLY 64 1HA GLY 64 -17.614 1.739 -10.800 401 HA3 GLY 64 2HA GLY 64 -16.272 1.199 -9.765 402 H ASP 65 H ASP 65 -17.834 -0.756 -9.683 403 HA ASP 65 HA ASP 65 -19.625 -0.440 -7.352 404 HB3 ASP 65 2HB ASP 65 -21.174 -0.666 -9.053 405 H GLU 66 H GLU 66 -18.439 -3.313 -9.182 406 HA GLU 66 HA GLU 66 -17.066 -4.200 -6.718 407 HB3 GLU 66 2HB GLU 66 -18.882 -5.505 -7.902 408 HG3 GLU 66 2HG GLU 66 -16.636 -6.113 -9.879 409 H ASP 67 H ASP 67 -16.098 -2.358 -9.098 410 HA ASP 67 HA ASP 67 -14.567 -3.975 -10.785 411 HB3 ASP 67 2HB ASP 67 -14.403 -0.944 -10.513 412 H VAL 68 H VAL 68 -13.479 -2.599 -7.783 413 HA VAL 68 HA VAL 68 -10.662 -3.330 -8.557 414 HB VAL 68 HB VAL 68 -11.572 -1.586 -6.297 415 HG11 VAL 68 1HG1 VAL 68 -9.586 -2.831 -5.585 416 HG12 VAL 68 2HG1 VAL 68 -8.814 -2.574 -7.168 417 HG13 VAL 68 3HG1 VAL 68 -9.047 -1.217 -6.056 418 HG21 VAL 68 3HG2 VAL 68 -11.684 -0.364 -8.401 419 HG22 VAL 68 1HG2 VAL 68 -10.427 0.239 -7.315 420 HG23 VAL 68 2HG2 VAL 68 -9.978 -0.765 -8.719 421 H PHE 69 H PHE 69 -13.183 -3.685 -6.004 422 HA PHE 69 HA PHE 69 -12.024 -5.585 -4.431 423 HB3 PHE 69 2HB PHE 69 -14.828 -4.961 -5.299 424 HD1 PHE 69 2HD PHE 69 -15.704 -7.069 -6.134 425 HD2 PHE 69 1HD PHE 69 -14.121 -6.711 -2.136 426 HE1 PHE 69 2HE PHE 69 -16.834 -9.176 -5.506 427 HE2 PHE 69 1HE PHE 69 -15.261 -8.860 -1.524 428 HZ PHE 69 HZ PHE 69 -16.604 -10.066 -3.194 429 H ARG 70 H ARG 70 -13.508 -6.190 -7.620 430 HA ARG 70 HA ARG 70 -13.421 -8.969 -7.782 431 HB3 ARG 70 2HB ARG 70 -12.842 -6.778 -9.828 432 HG3 ARG 70 2HG ARG 70 -11.994 -8.780 -10.901 433 HD3 ARG 70 2HD ARG 70 -14.314 -10.150 -9.669 434 HE ARG 70 HE ARG 70 -13.718 -10.919 -12.470 435 HH11 ARG 70 1HH1 ARG 70 -16.252 -10.174 -10.156 436 HH12 ARG 70 2HH1 ARG 70 -17.238 -9.231 -11.244 437 HH21 ARG 70 1HH2 ARG 70 -15.211 -9.985 -14.062 438 HH22 ARG 70 2HH2 ARG 70 -16.847 -9.667 -13.563 439 H LYS 71 H LYS 71 -10.609 -6.845 -7.724 440 HA LYS 71 HA LYS 71 -8.838 -8.893 -8.923 441 HB3 LYS 71 2HB LYS 71 -7.109 -7.090 -8.475 442 HG3 LYS 71 2HG LYS 71 -8.000 -7.205 -10.718 443 HD3 LYS 71 2HD LYS 71 -10.243 -5.371 -9.797 444 HE3 LYS 71 2HE LYS 71 -9.337 -6.140 -12.612 445 HZ1 LYS 71 3HZ LYS 71 -11.677 -4.580 -11.718 446 HZ2 LYS 71 1HZ LYS 71 -11.715 -5.944 -12.660 447 HZ3 LYS 71 2HZ LYS 71 -11.101 -4.502 -13.200 448 H LEU 72 H LEU 72 -9.482 -7.256 -5.781 449 HA LEU 72 HA LEU 72 -7.438 -8.687 -4.413 450 HB3 LEU 72 2HB LEU 72 -9.755 -7.642 -2.820 451 HG LEU 72 HG LEU 72 -6.867 -6.725 -2.839 452 HD11 LEU 72 1HD1 LEU 72 -7.337 -6.022 -0.578 453 HD12 LEU 72 2HD1 LEU 72 -8.913 -6.863 -0.594 454 HD13 LEU 72 3HD1 LEU 72 -8.649 -5.440 -1.624 455 HD21 LEU 72 3HD2 LEU 72 -6.627 -9.087 -2.466 456 HD22 LEU 72 1HD2 LEU 72 -8.049 -9.118 -1.408 457 HD23 LEU 72 2HD2 LEU 72 -6.538 -8.324 -0.879 458 H ALA 73 H ALA 73 -11.019 -8.988 -4.460 459 HA ALA 73 HA ALA 73 -11.192 -11.148 -2.634 460 HB1 ALA 73 1HB ALA 73 -13.160 -10.304 -4.807 461 HB2 ALA 73 2HB ALA 73 -13.519 -11.207 -3.319 462 HB3 ALA 73 3HB ALA 73 -12.996 -9.525 -3.219 463 H ALA 74 H ALA 74 -10.466 -11.082 -6.077 464 HA ALA 74 HA ALA 74 -10.932 -13.859 -6.621 465 HB1 ALA 74 1HB ALA 74 -8.919 -11.865 -7.773 466 HB2 ALA 74 2HB ALA 74 -9.223 -13.482 -8.428 467 HB3 ALA 74 3HB ALA 74 -10.525 -12.282 -8.413 468 H ASP 75 H ASP 75 -8.193 -12.070 -5.166 469 HA ASP 75 HA ASP 75 -6.401 -14.375 -5.025 470 HB3 ASP 75 2HB ASP 75 -5.833 -12.188 -3.130 471 H LEU 76 H LEU 76 -8.351 -12.422 -2.794 472 HA LEU 76 HA LEU 76 -8.087 -14.357 -0.617 473 HB3 LEU 76 2HB LEU 76 -9.318 -12.721 0.705 474 HG LEU 76 HG LEU 76 -7.135 -11.311 -0.871 475 HD11 LEU 76 1HD1 LEU 76 -8.576 -9.904 0.656 476 HD12 LEU 76 2HD1 LEU 76 -6.870 -9.956 1.126 477 HD13 LEU 76 3HD1 LEU 76 -8.064 -10.920 2.004 478 HD21 LEU 76 3HD2 LEU 76 -6.934 -13.190 1.517 479 HD22 LEU 76 1HD2 LEU 76 -5.631 -12.103 0.989 480 HD23 LEU 76 2HD2 LEU 76 -6.171 -13.385 -0.085 481 H GLU 77 H GLU 77 -9.434 -15.317 -2.972 482 HA GLU 77 HA GLU 77 -12.248 -15.482 -2.500 483 HB3 GLU 77 2HB GLU 77 -10.378 -17.313 -4.074 484 HG3 GLU 77 2HG GLU 77 -13.387 -16.940 -3.889 485 H GLY 78 H GLY 78 -13.164 -16.540 -0.905 486 HA2 GLY 78 1HA GLY 78 -13.621 -18.244 0.654 487 HA3 GLY 78 2HA GLY 78 -12.055 -18.979 0.315 488 H LYS 79 H LYS 79 -11.507 -15.683 0.817 489 HA LYS 79 HA LYS 79 -10.679 -16.231 3.643 490 HB3 LYS 79 2HB LYS 79 -8.437 -15.400 3.025 491 HG3 LYS 79 2HG LYS 79 -9.326 -17.668 1.175 492 HD3 LYS 79 2HD LYS 79 -7.005 -18.468 1.457 493 HE3 LYS 79 2HE LYS 79 -5.792 -16.806 0.093 494 HZ1 LYS 79 3HZ LYS 79 -7.303 -16.904 -1.829 495 HZ2 LYS 79 1HZ LYS 79 -8.488 -17.549 -0.886 496 HZ3 LYS 79 2HZ LYS 79 -7.058 -18.353 -1.102 497 H ALA 80 H ALA 80 -12.364 -13.980 1.716 498 HA ALA 80 HA ALA 80 -12.261 -12.038 3.798 499 HB1 ALA 80 1HB ALA 80 -10.103 -11.475 2.598 500 HB2 ALA 80 2HB ALA 80 -11.060 -11.127 1.145 501 HB3 ALA 80 3HB ALA 80 -11.285 -10.173 2.634 502 H ASP 81 H ASP 81 -14.265 -11.389 3.876 503 HA ASP 81 HA ASP 81 -16.141 -11.518 1.686 504 HB3 ASP 81 2HB ASP 81 -17.686 -10.484 3.250 505 H GLU 82 H GLU 82 -17.304 -9.641 0.964 506 HA GLU 82 HA GLU 82 -15.987 -7.262 0.047 507 HB3 GLU 82 2HB GLU 82 -18.373 -6.324 0.083 508 HG3 GLU 82 2HG GLU 82 -17.877 -8.929 -1.356 509 H GLU 83 H GLU 83 -18.046 -7.955 2.856 510 HA GLU 83 HA GLU 83 -18.034 -5.342 3.919 511 HB3 GLU 83 2HB GLU 83 -19.181 -6.292 5.771 512 HG3 GLU 83 2HG GLU 83 -20.162 -6.571 3.222 513 H THR 84 H THR 84 -15.512 -7.556 3.920 514 HA THR 84 HA THR 84 -14.219 -6.434 6.358 515 HB THR 84 HB THR 84 -14.097 -9.146 5.001 516 HG1 THR 84 1HG THR 84 -14.733 -9.728 7.131 517 HG21 THR 84 3HG2 THR 84 -11.770 -8.629 5.540 518 HG22 THR 84 1HG2 THR 84 -12.393 -9.744 6.761 519 HG23 THR 84 2HG2 THR 84 -12.228 -8.016 7.144 520 H ILE 85 H ILE 85 -13.626 -7.346 2.894 521 HA ILE 85 HA ILE 85 -11.041 -6.226 2.652 522 HB ILE 85 HB ILE 85 -13.374 -6.450 0.685 523 HG13 ILE 85 2HG1 ILE 85 -12.263 -8.546 1.572 524 HG21 ILE 85 1HG2 ILE 85 -11.682 -5.999 -1.120 525 HG22 ILE 85 2HG2 ILE 85 -12.060 -4.614 -0.122 526 HG23 ILE 85 3HG2 ILE 85 -10.550 -5.500 0.161 527 HD11 ILE 85 3HD1 ILE 85 -11.852 -9.695 -0.482 528 HD12 ILE 85 1HD1 ILE 85 -13.194 -8.574 -0.720 529 HD13 ILE 85 2HD1 ILE 85 -11.577 -8.188 -1.362 530 H ARG 86 H ARG 86 -14.241 -4.713 2.091 531 HA ARG 86 HA ARG 86 -13.316 -2.175 1.470 532 HB3 ARG 86 2HB ARG 86 -15.631 -3.188 1.228 533 HG3 ARG 86 2HG ARG 86 -15.718 -3.532 3.930 534 HD3 ARG 86 2HD ARG 86 -17.245 -0.986 3.347 535 HE ARG 86 HE ARG 86 -17.437 -2.982 5.474 536 HH11 ARG 86 1HH1 ARG 86 -18.012 0.442 4.697 537 HH12 ARG 86 2HH1 ARG 86 -19.458 0.551 5.666 538 HH21 ARG 86 1HH2 ARG 86 -19.243 -2.820 6.813 539 HH22 ARG 86 2HH2 ARG 86 -20.200 -1.376 6.863 540 H ALA 87 H ALA 87 -13.554 -3.667 4.610 541 HA ALA 87 HA ALA 87 -13.625 -1.161 6.079 542 HB1 ALA 87 1HB ALA 87 -13.686 -2.613 8.071 543 HB2 ALA 87 2HB ALA 87 -14.928 -3.074 6.894 544 HB3 ALA 87 3HB ALA 87 -13.447 -4.049 7.057 545 H LYS 88 H LYS 88 -11.409 -3.981 5.637 546 HA LYS 88 HA LYS 88 -9.392 -3.086 7.363 547 HB3 LYS 88 2HB LYS 88 -8.696 -4.670 4.881 548 HG3 LYS 88 2HG LYS 88 -7.104 -4.159 6.901 549 HD3 LYS 88 2HD LYS 88 -8.549 -4.833 8.796 550 HE3 LYS 88 2HE LYS 88 -8.695 -7.428 7.225 551 HZ1 LYS 88 3HZ LYS 88 -9.565 -8.440 9.280 552 HZ2 LYS 88 1HZ LYS 88 -9.021 -7.172 10.149 553 HZ3 LYS 88 2HZ LYS 88 -7.952 -8.135 9.340 554 H MET 89 H MET 89 -9.862 -2.368 3.906 555 HA MET 89 HA MET 89 -7.453 -0.981 3.371 556 HB3 MET 89 2HB MET 89 -8.780 0.296 1.719 557 HG3 MET 89 2HG MET 89 -9.249 -2.673 1.873 558 HE1 MET 89 3HE MET 89 -10.681 -3.453 -1.558 559 HE2 MET 89 1HE MET 89 -9.203 -2.527 -1.799 560 HE3 MET 89 2HE MET 89 -9.305 -3.718 -0.481 561 H VAL 90 H VAL 90 -10.534 0.283 4.749 562 HA VAL 90 HA VAL 90 -9.684 2.965 5.064 563 HB VAL 90 HB VAL 90 -11.927 1.301 6.273 564 HG11 VAL 90 1HG1 VAL 90 -13.050 3.435 6.820 565 HG12 VAL 90 2HG1 VAL 90 -11.612 3.115 7.787 566 HG13 VAL 90 3HG1 VAL 90 -11.536 4.302 6.459 567 HG21 VAL 90 3HG2 VAL 90 -11.973 3.409 4.083 568 HG22 VAL 90 1HG2 VAL 90 -12.008 1.664 3.790 569 HG23 VAL 90 2HG2 VAL 90 -13.345 2.432 4.649 570 H GLU 91 H GLU 91 -9.270 0.100 7.157 571 HA GLU 91 HA GLU 91 -8.374 1.570 9.479 572 HB3 GLU 91 2HB GLU 91 -8.079 -1.321 8.566 573 HG3 GLU 91 2HG GLU 91 -7.431 -0.129 11.287 574 H LEU 92 H LEU 92 -6.695 -0.105 6.785 575 HA LEU 92 HA LEU 92 -4.038 0.454 7.757 576 HB3 LEU 92 2HB LEU 92 -3.485 -0.304 5.378 577 HG LEU 92 HG LEU 92 -5.281 -2.010 7.146 578 HD11 LEU 92 1HD1 LEU 92 -3.857 -2.878 4.608 579 HD12 LEU 92 2HD1 LEU 92 -5.624 -2.714 4.832 580 HD13 LEU 92 3HD1 LEU 92 -4.729 -3.930 5.752 581 HD21 LEU 92 3HD2 LEU 92 -2.298 -2.194 6.528 582 HD22 LEU 92 1HD2 LEU 92 -3.217 -3.226 7.634 583 HD23 LEU 92 2HD2 LEU 92 -3.003 -1.521 8.017 584 H ARG 93 H ARG 93 -6.365 2.162 5.785 585 HA ARG 93 HA ARG 93 -4.779 4.047 4.525 586 HB3 ARG 93 2HB ARG 93 -7.472 4.605 5.821 587 HG3 ARG 93 2HG ARG 93 -6.549 5.445 3.053 588 HD3 ARG 93 2HD ARG 93 -9.034 5.272 3.695 589 HE ARG 93 HE ARG 93 -8.173 7.043 5.814 590 HH11 ARG 93 1HH1 ARG 93 -11.006 6.543 3.650 591 HH12 ARG 93 2HH1 ARG 93 -12.035 7.415 4.731 592 HH21 ARG 93 1HH2 ARG 93 -9.519 8.148 7.076 593 HH22 ARG 93 2HH2 ARG 93 -11.215 8.360 6.749 594 H ALA 94 H ALA 94 -5.751 3.815 7.948 595 HA ALA 94 HA ALA 94 -5.002 6.493 8.690 596 HB1 ALA 94 1HB ALA 94 -5.137 5.631 10.991 597 HB2 ALA 94 2HB ALA 94 -6.576 5.211 10.031 598 HB3 ALA 94 3HB ALA 94 -5.322 3.992 10.345 599 H THR 95 H THR 95 -3.371 3.280 8.920 600 HA THR 95 HA THR 95 -1.011 4.009 10.198 601 HB THR 95 HB THR 95 -1.471 1.825 8.144 602 HG1 THR 95 1HG THR 95 -1.796 0.699 10.278 603 HG21 THR 95 3HG2 THR 95 0.956 2.334 9.026 604 HG22 THR 95 1HG2 THR 95 0.346 0.687 9.026 605 HG23 THR 95 2HG2 THR 95 0.376 1.638 10.537 606 H ALA 96 H ALA 96 -0.978 3.156 6.815 607 HA ALA 96 HA ALA 96 0.317 3.599 5.064 608 HB1 ALA 96 1HB ALA 96 -1.313 6.121 5.606 609 HB2 ALA 96 2HB ALA 96 -0.751 5.549 4.010 610 HB3 ALA 96 3HB ALA 96 -1.921 4.594 4.929 611 H ARG 97 H ARG 97 0.478 6.480 6.901 612 HA ARG 97 HA ARG 97 2.993 7.378 5.509 613 HB3 ARG 97 2HB ARG 97 1.205 9.076 6.217 614 HG3 ARG 97 2HG ARG 97 2.653 8.899 8.888 615 HD3 ARG 97 2HD ARG 97 0.262 10.579 8.014 616 HE ARG 97 HE ARG 97 1.599 11.347 10.414 617 HH11 ARG 97 1HH1 ARG 97 -0.853 8.984 9.291 618 HH12 ARG 97 2HH1 ARG 97 -1.403 8.687 10.942 619 HH21 ARG 97 1HH2 ARG 97 0.888 10.717 12.579 620 HH22 ARG 97 2HH2 ARG 97 -0.441 9.611 12.708 621 H GLU 98 H GLU 98 1.969 6.109 8.755 622 HA GLU 98 HA GLU 98 4.437 6.436 9.991 623 HB3 GLU 98 2HB GLU 98 3.515 4.270 11.169 624 HG3 GLU 98 2HG GLU 98 1.893 6.765 11.596 625 H GLN 99 H GLN 99 3.274 3.829 7.805 626 HA GLN 99 HA GLN 99 5.298 2.019 8.408 627 HB3 GLN 99 2HB GLN 99 4.947 1.102 6.131 628 HG3 GLN 99 2HG GLN 99 2.236 1.718 7.297 629 HE21 GLN 99 1HE2 GLN 99 1.938 -1.083 8.169 630 HE22 GLN 99 2HE2 GLN 99 1.921 -2.035 6.720 631 H ILE 100 H ILE 100 5.450 4.783 6.127 632 HA ILE 100 HA ILE 100 8.022 4.179 5.002 633 HB ILE 100 HB ILE 100 6.738 6.847 5.655 634 HG13 ILE 100 2HG1 ILE 100 5.818 6.951 3.454 635 HG21 ILE 100 1HG2 ILE 100 9.028 7.308 5.187 636 HG22 ILE 100 2HG2 ILE 100 9.047 6.224 3.785 637 HG23 ILE 100 3HG2 ILE 100 8.132 7.747 3.727 638 HD11 ILE 100 3HD1 ILE 100 7.429 5.790 2.052 639 HD12 ILE 100 1HD1 ILE 100 7.126 4.257 2.880 640 HD13 ILE 100 2HD1 ILE 100 5.856 5.002 1.887 641 H ILE 101 H ILE 101 7.004 5.918 7.944 642 HA ILE 101 HA ILE 101 9.711 6.657 8.701 643 HB ILE 101 HB ILE 101 7.024 6.835 10.155 644 HG13 ILE 101 2HG1 ILE 101 6.948 8.095 8.081 645 HG21 ILE 101 1HG2 ILE 101 8.115 8.490 11.607 646 HG22 ILE 101 2HG2 ILE 101 8.912 6.925 11.709 647 HG23 ILE 101 3HG2 ILE 101 9.665 8.228 10.770 648 HD11 ILE 101 3HD1 ILE 101 6.076 9.350 10.068 649 HD12 ILE 101 1HD1 ILE 101 7.642 10.208 10.130 650 HD13 ILE 101 2HD1 ILE 101 6.618 10.335 8.695 651 H SER 102 H SER 102 7.737 3.901 9.016 652 HA SER 102 HA SER 102 9.261 2.722 11.217 653 HB3 SER 102 2HB SER 102 7.115 1.543 9.384 654 HG SER 102 HG SER 102 8.497 0.234 11.042 655 H GLU 103 H GLU 103 10.032 3.332 7.992 656 HA GLU 103 HA GLU 103 11.350 0.733 7.468 657 HB3 GLU 103 2HB GLU 103 10.648 1.215 5.053 658 HG3 GLU 103 2HG GLU 103 8.565 0.497 7.141 659 H ILE 104 H ILE 104 12.528 2.873 8.753 660 HA ILE 104 HA ILE 104 14.104 4.348 6.818 661 HB ILE 104 HB ILE 104 14.856 3.997 9.754 662 HG13 ILE 104 2HG1 ILE 104 12.523 4.542 9.875 663 HG21 ILE 104 1HG2 ILE 104 16.435 5.107 8.187 664 HG22 ILE 104 2HG2 ILE 104 15.167 6.289 7.754 665 HG23 ILE 104 3HG2 ILE 104 15.847 6.251 9.380 666 HD11 ILE 104 3HD1 ILE 104 13.990 7.154 10.320 667 HD12 ILE 104 1HD1 ILE 104 12.427 6.663 10.985 668 HD13 ILE 104 2HD1 ILE 104 13.884 5.798 11.480 Start of MODEL 17 1 H1 MET 1 H MET 1 16.800 26.441 -9.033 2 HA MET 1 HA MET 1 18.578 26.426 -10.678 3 HB3 MET 1 2HB MET 1 19.189 29.245 -9.695 4 HG3 MET 1 2HG MET 1 20.579 29.284 -11.784 5 HE1 MET 1 3HE MET 1 23.028 27.329 -12.222 6 HE2 MET 1 1HE MET 1 23.152 29.092 -11.988 7 HE3 MET 1 2HE MET 1 24.155 27.992 -11.018 8 H THR 2 H THR 2 19.496 24.738 -9.484 9 HA THR 2 HA THR 2 21.152 25.493 -7.180 10 HB THR 2 HB THR 2 19.149 23.265 -6.900 11 HG1 THR 2 1HG THR 2 17.691 24.521 -5.955 12 HG21 THR 2 3HG2 THR 2 20.469 25.095 -4.853 13 HG22 THR 2 1HG2 THR 2 21.015 23.451 -5.267 14 HG23 THR 2 2HG2 THR 2 19.438 23.692 -4.496 15 H THR 3 H THR 3 23.086 24.721 -8.172 16 HA THR 3 HA THR 3 23.155 21.875 -9.015 17 HB THR 3 HB THR 3 24.649 22.770 -10.908 18 HG1 THR 3 1HG THR 3 24.786 24.895 -10.112 19 HG21 THR 3 3HG2 THR 3 22.362 21.870 -11.318 20 HG22 THR 3 1HG2 THR 3 22.798 23.177 -12.432 21 HG23 THR 3 2HG2 THR 3 21.692 23.499 -11.081 22 H PHE 4 H PHE 4 24.820 20.854 -7.918 23 HA PHE 4 HA PHE 4 27.395 21.974 -7.802 24 HB3 PHE 4 2HB PHE 4 26.316 21.331 -5.049 25 HD1 PHE 4 1HD PHE 4 28.002 24.368 -6.390 26 HD2 PHE 4 2HD PHE 4 28.531 20.682 -4.196 27 HE1 PHE 4 1HE PHE 4 30.293 25.070 -5.741 28 HE2 PHE 4 2HE PHE 4 30.815 21.387 -3.578 29 HZ PHE 4 HZ PHE 4 31.703 23.577 -4.339 30 H ASP 5 H ASP 5 28.830 20.267 -6.699 31 HA ASP 5 HA ASP 5 28.559 17.767 -7.765 32 HB3 ASP 5 2HB ASP 5 30.609 17.307 -6.383 33 H ASP 6 H ASP 6 29.430 15.916 -5.897 34 HA ASP 6 HA ASP 6 27.026 14.749 -5.030 35 HB3 ASP 6 2HB ASP 6 29.828 14.092 -4.081 36 H ARG 7 H ARG 7 25.753 15.259 -3.446 37 HA ARG 7 HA ARG 7 26.773 16.476 -0.918 38 HB3 ARG 7 2HB ARG 7 24.449 17.630 -0.910 39 HG3 ARG 7 2HG ARG 7 26.745 18.381 -2.741 40 HD3 ARG 7 2HD ARG 7 25.613 20.611 -2.962 41 HE ARG 7 HE ARG 7 25.640 18.933 -4.806 42 HH11 ARG 7 1HH1 ARG 7 22.463 19.262 -3.235 43 HH12 ARG 7 2HH1 ARG 7 21.591 18.956 -4.701 44 HH21 ARG 7 1HH2 ARG 7 24.466 18.550 -6.708 45 HH22 ARG 7 2HH2 ARG 7 22.725 18.439 -6.654 46 H GLU 8 H GLU 8 25.087 16.198 0.848 47 HA GLU 8 HA GLU 8 25.168 13.450 1.282 48 HB3 GLU 8 2HB GLU 8 25.506 15.109 3.019 49 HG3 GLU 8 2HG GLU 8 23.713 16.198 4.224 50 H ARG 9 H ARG 9 23.467 12.354 2.439 51 HA ARG 9 HA ARG 9 22.022 11.162 0.453 52 HB3 ARG 9 2HB ARG 9 20.877 9.773 2.025 53 HG3 ARG 9 2HG ARG 9 23.602 10.017 2.243 54 HD3 ARG 9 2HD ARG 9 23.336 11.454 4.302 55 HE ARG 9 HE ARG 9 21.279 10.037 5.105 56 HH11 ARG 9 1HH1 ARG 9 24.601 9.603 6.358 57 HH12 ARG 9 2HH1 ARG 9 24.061 8.851 7.823 58 HH21 ARG 9 1HH2 ARG 9 20.644 9.534 7.262 59 HH22 ARG 9 2HH2 ARG 9 21.790 8.792 8.335 60 H ALA 10 H ALA 10 19.803 10.689 0.120 61 HA ALA 10 HA ALA 10 18.175 13.160 0.241 62 HB1 ALA 10 1HB ALA 10 17.584 12.728 -2.099 63 HB2 ALA 10 2HB ALA 10 19.351 12.854 -1.893 64 HB3 ALA 10 3HB ALA 10 18.590 11.256 -2.085 65 H HIS 11 H HIS 11 17.555 11.628 2.198 66 HA HIS 11 HA HIS 11 14.969 10.412 1.512 67 HB3 HIS 11 2HB HIS 11 16.770 8.909 1.429 68 HD1 HIS 11 1HD HIS 11 18.028 6.886 3.232 69 HD2 HIS 11 2HD HIS 11 18.006 11.022 3.941 70 HE1 HIS 11 1HE HIS 11 20.004 7.348 4.767 71 H GLU 12 H GLU 12 14.069 9.602 3.754 72 HA GLU 12 HA GLU 12 12.596 10.387 5.271 73 HB3 GLU 12 2HB GLU 12 13.936 9.295 6.662 74 HG3 GLU 12 2HG GLU 12 15.926 11.565 6.980 75 H ALA 13 H ALA 13 14.991 12.936 6.083 76 HA ALA 13 HA ALA 13 12.918 14.872 6.447 77 HB1 ALA 13 1HB ALA 13 15.100 15.001 7.585 78 HB2 ALA 13 2HB ALA 13 15.897 15.251 6.017 79 HB3 ALA 13 3HB ALA 13 14.781 16.477 6.654 80 H LYS 14 H LYS 14 14.618 13.810 3.734 81 HA LYS 14 HA LYS 14 14.045 15.939 1.922 82 HB3 LYS 14 2HB LYS 14 14.161 13.426 0.535 83 HG3 LYS 14 2HG LYS 14 15.305 15.538 -0.099 84 HD3 LYS 14 2HD LYS 14 17.068 14.905 2.313 85 HE3 LYS 14 2HE LYS 14 17.800 15.806 -0.374 86 HZ1 LYS 14 3HZ LYS 14 17.806 17.982 0.524 87 HZ2 LYS 14 1HZ LYS 14 19.363 17.445 0.408 88 HZ3 LYS 14 2HZ LYS 14 18.627 17.493 1.887 89 H PHE 15 H PHE 15 11.793 13.583 3.293 90 HA PHE 15 HA PHE 15 10.053 13.239 1.093 91 HB3 PHE 15 2HB PHE 15 8.271 13.409 3.088 92 HD1 PHE 15 1HD PHE 15 11.301 11.343 2.157 93 HD2 PHE 15 2HD PHE 15 7.329 11.362 3.872 94 HE1 PHE 15 1HE PHE 15 11.347 8.869 2.344 95 HE2 PHE 15 2HE PHE 15 7.372 8.903 4.004 96 HZ PHE 15 HZ PHE 15 9.383 7.652 3.298 97 H ALA 16 H ALA 16 10.222 15.986 3.370 98 HA ALA 16 HA ALA 16 7.951 17.404 2.421 99 HB1 ALA 16 1HB ALA 16 10.537 18.407 3.684 100 HB2 ALA 16 2HB ALA 16 8.968 19.239 3.676 101 HB3 ALA 16 3HB ALA 16 9.146 17.701 4.568 102 H HIS 17 H HIS 17 10.837 16.761 0.757 103 HA HIS 17 HA HIS 17 10.742 19.195 -0.910 104 HB3 HIS 17 2HB HIS 17 12.998 17.189 -0.940 105 HD1 HIS 17 1HD HIS 17 13.644 18.338 -3.327 106 HD2 HIS 17 2HD HIS 17 13.211 20.896 0.012 107 HE1 HIS 17 1HE HIS 17 14.620 20.596 -4.015 108 H ASP 18 H ASP 18 11.133 18.672 -3.226 109 HA ASP 18 HA ASP 18 10.331 17.776 -5.149 110 HB3 ASP 18 2HB ASP 18 10.785 15.430 -5.621 111 H ALA 19 H ALA 19 8.892 15.323 -5.567 112 HA ALA 19 HA ALA 19 7.107 14.857 -3.283 113 HB1 ALA 19 1HB ALA 19 5.155 14.436 -4.729 114 HB2 ALA 19 2HB ALA 19 5.647 16.136 -4.849 115 HB3 ALA 19 3HB ALA 19 6.047 14.996 -6.157 116 H GLU 20 H GLU 20 8.881 13.852 -6.187 117 HA GLU 20 HA GLU 20 8.514 11.252 -6.592 118 HB3 GLU 20 2HB GLU 20 11.304 11.346 -6.359 119 HG3 GLU 20 2HG GLU 20 11.431 12.315 -8.623 120 H LEU 21 H LEU 21 10.230 12.540 -3.811 121 HA LEU 21 HA LEU 21 11.167 10.068 -2.700 122 HB3 LEU 21 2HB LEU 21 11.426 11.665 -0.638 123 HG LEU 21 HG LEU 21 12.648 12.110 -3.385 124 HD11 LEU 21 1HD1 LEU 21 14.216 13.778 -2.223 125 HD12 LEU 21 2HD1 LEU 21 12.911 13.925 -1.015 126 HD13 LEU 21 3HD1 LEU 21 12.605 14.360 -2.669 127 HD21 LEU 21 3HD2 LEU 21 13.822 11.429 -0.656 128 HD22 LEU 21 1HD2 LEU 21 14.640 11.397 -2.233 129 HD23 LEU 21 2HD2 LEU 21 13.343 10.238 -1.878 130 H ASN 22 H ASN 22 8.298 12.099 -2.048 131 HA ASN 22 HA ASN 22 7.439 10.379 0.150 132 HB3 ASN 22 2HB ASN 22 5.720 12.519 -1.096 133 HD21 ASN 22 1HD2 ASN 22 5.522 14.071 1.185 134 HD22 ASN 22 2HD2 ASN 22 4.765 13.080 2.441 135 H PHE 23 H PHE 23 6.883 10.722 -3.291 136 HA PHE 23 HA PHE 23 4.320 10.080 -3.651 137 HB3 PHE 23 2HB PHE 23 6.258 8.689 -5.487 138 HD1 PHE 23 1HD PHE 23 3.002 8.759 -5.193 139 HD2 PHE 23 2HD PHE 23 5.920 10.819 -7.636 140 HE1 PHE 23 1HE PHE 23 1.296 9.153 -6.916 141 HE2 PHE 23 2HE PHE 23 4.182 11.212 -9.346 142 HZ PHE 23 HZ PHE 23 1.868 10.374 -9.000 143 H LYS 24 H LYS 24 6.877 7.579 -3.549 144 HA LYS 24 HA LYS 24 5.395 5.282 -3.511 145 HB3 LYS 24 2HB LYS 24 7.671 5.001 -3.602 146 HG3 LYS 24 2HG LYS 24 8.057 6.451 -0.948 147 HD3 LYS 24 2HD LYS 24 9.885 4.754 -2.684 148 HE3 LYS 24 2HE LYS 24 11.115 6.803 -2.368 149 HZ1 LYS 24 3HZ LYS 24 11.754 7.328 -0.015 150 HZ2 LYS 24 1HZ LYS 24 10.485 6.491 0.487 151 HZ3 LYS 24 2HZ LYS 24 10.243 7.840 -0.478 152 H ALA 25 H ALA 25 6.014 7.205 -0.585 153 HA ALA 25 HA ALA 25 4.794 5.437 1.301 154 HB1 ALA 25 1HB ALA 25 4.431 7.756 2.521 155 HB2 ALA 25 2HB ALA 25 6.086 7.145 2.282 156 HB3 ALA 25 3HB ALA 25 5.419 8.405 1.245 157 H GLU 26 H GLU 26 3.439 8.323 -0.340 158 HA GLU 26 HA GLU 26 0.758 7.763 0.619 159 HB3 GLU 26 2HB GLU 26 0.191 9.822 -0.660 160 HG3 GLU 26 2HG GLU 26 1.688 11.388 0.449 161 H ALA 27 H ALA 27 2.293 6.000 -1.489 162 HA ALA 27 HA ALA 27 -0.019 5.606 -3.328 163 HB1 ALA 27 1HB ALA 27 1.780 6.978 -4.288 164 HB2 ALA 27 2HB ALA 27 2.932 5.648 -4.011 165 HB3 ALA 27 3HB ALA 27 1.581 5.427 -5.139 166 H ARG 28 H ARG 28 1.745 4.115 -0.927 167 HA ARG 28 HA ARG 28 1.647 1.437 -2.261 168 HB3 ARG 28 2HB ARG 28 3.850 2.349 -1.779 169 HG3 ARG 28 2HG ARG 28 2.895 3.038 0.752 170 HD3 ARG 28 2HD ARG 28 3.059 0.503 1.187 171 HE ARG 28 HE ARG 28 5.783 0.935 0.470 172 HH11 ARG 28 1HH1 ARG 28 3.784 -0.775 2.837 173 HH12 ARG 28 2HH1 ARG 28 5.041 -1.800 3.412 174 HH21 ARG 28 1HH2 ARG 28 7.545 -0.509 1.274 175 HH22 ARG 28 2HH2 ARG 28 7.155 -1.642 2.535 176 H ARG 29 H ARG 29 -0.606 2.886 -0.363 177 HA ARG 29 HA ARG 29 -0.677 1.035 1.859 178 HB3 ARG 29 2HB ARG 29 -1.874 3.295 1.745 179 HG3 ARG 29 2HG ARG 29 -3.882 1.646 0.178 180 HD3 ARG 29 2HD ARG 29 -3.989 4.630 0.717 181 HE ARG 29 HE ARG 29 -6.465 3.373 0.177 182 HH11 ARG 29 1HH1 ARG 29 -3.528 4.478 -1.599 183 HH12 ARG 29 2HH1 ARG 29 -4.308 4.284 -3.142 184 HH21 ARG 29 1HH2 ARG 29 -7.428 3.262 -1.953 185 HH22 ARG 29 2HH2 ARG 29 -6.578 3.992 -3.266 186 H ASN 30 H ASN 30 -1.829 0.950 -1.552 187 HA ASN 30 HA ASN 30 -3.423 -1.411 -1.114 188 HB3 ASN 30 2HB ASN 30 -2.504 -1.297 -3.810 189 HD21 ASN 30 1HD2 ASN 30 -5.124 0.283 -1.737 190 HD22 ASN 30 2HD2 ASN 30 -6.352 -0.544 -2.679 191 H ARG 31 H ARG 31 -0.011 -1.181 -0.983 192 HA ARG 31 HA ARG 31 0.518 -3.731 -2.391 193 HB3 ARG 31 2HB ARG 31 2.365 -1.820 -0.868 194 HG3 ARG 31 2HG ARG 31 3.976 -2.995 -2.646 195 HD3 ARG 31 2HD ARG 31 3.488 -4.340 0.051 196 HE ARG 31 HE ARG 31 5.452 -4.750 -1.993 197 HH11 ARG 31 1HH1 ARG 31 5.483 -4.313 1.619 198 HH12 ARG 31 2HH1 ARG 31 7.084 -5.006 1.666 199 HH21 ARG 31 1HH2 ARG 31 7.394 -5.691 -1.721 200 HH22 ARG 31 2HH2 ARG 31 8.110 -5.923 -0.129 201 H LEU 32 H LEU 32 0.713 -2.360 0.894 202 HA LEU 32 HA LEU 32 1.360 -4.896 2.089 203 HB3 LEU 32 2HB LEU 32 2.243 -3.053 3.108 204 HG LEU 32 HG LEU 32 0.819 -1.174 2.577 205 HD11 LEU 32 1HD1 LEU 32 -1.368 -2.170 2.763 206 HD12 LEU 32 2HD1 LEU 32 -1.288 -0.803 3.847 207 HD13 LEU 32 3HD1 LEU 32 -1.154 -2.483 4.474 208 HD21 LEU 32 3HD2 LEU 32 2.333 -1.021 4.540 209 HD22 LEU 32 1HD2 LEU 32 1.025 -1.592 5.585 210 HD23 LEU 32 2HD2 LEU 32 0.871 -0.030 4.748 211 H LEU 33 H LEU 33 -1.693 -3.601 1.037 212 HA LEU 33 HA LEU 33 -3.473 -5.007 2.706 213 HB3 LEU 33 2HB LEU 33 -4.783 -5.262 0.411 214 HG LEU 33 HG LEU 33 -4.116 -2.464 1.363 215 HD11 LEU 33 1HD1 LEU 33 -6.547 -3.485 -0.171 216 HD12 LEU 33 2HD1 LEU 33 -5.145 -2.778 -0.976 217 HD13 LEU 33 3HD1 LEU 33 -6.087 -1.797 0.160 218 HD21 LEU 33 3HD2 LEU 33 -6.265 -4.474 2.183 219 HD22 LEU 33 1HD2 LEU 33 -6.405 -2.745 2.484 220 HD23 LEU 33 2HD2 LEU 33 -5.096 -3.643 3.238 221 H GLY 34 H GLY 34 -1.347 -6.261 0.102 222 HA2 GLY 34 1HA GLY 34 -2.701 -8.816 -0.060 223 HA3 GLY 34 2HA GLY 34 -1.115 -8.422 -0.710 224 H GLU 35 H GLU 35 -0.689 -7.495 2.358 225 HA GLU 35 HA GLU 35 0.306 -10.064 3.369 226 HB3 GLU 35 2HB GLU 35 1.195 -8.786 5.189 227 HG3 GLU 35 2HG GLU 35 1.416 -7.068 2.669 228 H TRP 36 H TRP 36 -2.688 -8.257 3.620 229 HA TRP 36 HA TRP 36 -3.516 -9.337 6.188 230 HB3 TRP 36 2HB TRP 36 -4.915 -7.798 3.976 231 HD1 TRP 36 HD TRP 36 -5.768 -8.463 7.693 232 HE1 TRP 36 1HE TRP 36 -8.328 -8.810 7.891 233 HE3 TRP 36 3HE TRP 36 -7.057 -7.787 2.793 234 HZ2 TRP 36 2HZ TRP 36 -10.592 -8.907 6.118 235 HZ3 TRP 36 3HZ TRP 36 -9.433 -7.941 2.083 236 HH2 TRP 36 HH TRP 36 -11.199 -8.508 3.737 237 H ALA 37 H ALA 37 -5.315 -9.661 3.152 238 HA ALA 37 HA ALA 37 -6.661 -11.979 3.840 239 HB1 ALA 37 1HB ALA 37 -7.223 -12.113 1.413 240 HB2 ALA 37 2HB ALA 37 -7.318 -10.441 2.007 241 HB3 ALA 37 3HB ALA 37 -5.912 -10.980 1.049 242 H ALA 38 H ALA 38 -3.359 -11.873 2.747 243 HA ALA 38 HA ALA 38 -3.050 -14.408 1.539 244 HB1 ALA 38 1HB ALA 38 -1.251 -12.794 1.568 245 HB2 ALA 38 2HB ALA 38 -1.189 -12.801 3.352 246 HB3 ALA 38 3HB ALA 38 -0.721 -14.233 2.419 247 H GLY 39 H GLY 39 -2.826 -13.530 5.074 248 HA2 GLY 39 1HA GLY 39 -2.327 -16.182 5.935 249 HA3 GLY 39 2HA GLY 39 -2.967 -14.873 6.944 250 H LEU 40 H LEU 40 -5.415 -14.349 5.679 251 HA LEU 40 HA LEU 40 -7.215 -16.195 6.652 252 HB3 LEU 40 2HB LEU 40 -8.791 -15.062 5.046 253 HG LEU 40 HG LEU 40 -8.433 -14.080 7.227 254 HD11 LEU 40 1HD1 LEU 40 -6.159 -13.463 7.396 255 HD12 LEU 40 2HD1 LEU 40 -7.152 -12.022 7.548 256 HD13 LEU 40 3HD1 LEU 40 -6.317 -12.338 6.017 257 HD21 LEU 40 3HD2 LEU 40 -9.374 -11.884 6.733 258 HD22 LEU 40 1HD2 LEU 40 -9.999 -13.050 5.572 259 HD23 LEU 40 2HD2 LEU 40 -8.700 -11.936 5.095 260 H LEU 41 H LEU 41 -5.718 -16.075 3.433 261 HA LEU 41 HA LEU 41 -7.158 -18.473 2.479 262 HB3 LEU 41 2HB LEU 41 -5.978 -17.954 0.338 263 HG LEU 41 HG LEU 41 -7.404 -15.551 1.574 264 HD11 LEU 41 1HD1 LEU 41 -5.932 -14.878 -0.300 265 HD12 LEU 41 2HD1 LEU 41 -7.651 -14.690 -0.680 266 HD13 LEU 41 3HD1 LEU 41 -6.754 -16.071 -1.346 267 HD21 LEU 41 3HD2 LEU 41 -8.852 -17.529 1.362 268 HD22 LEU 41 1HD2 LEU 41 -8.401 -17.692 -0.348 269 HD23 LEU 41 2HD2 LEU 41 -9.320 -16.279 0.205 270 H GLY 42 H GLY 42 -4.605 -18.121 4.490 271 HA2 GLY 42 1HA GLY 42 -3.124 -19.676 5.271 272 HA3 GLY 42 2HA GLY 42 -3.679 -20.812 4.047 273 H LYS 43 H LYS 43 -2.251 -17.573 3.541 274 HA LYS 43 HA LYS 43 0.255 -18.746 2.448 275 HB3 LYS 43 2HB LYS 43 0.225 -16.983 0.791 276 HG3 LYS 43 2HG LYS 43 -2.646 -18.000 0.830 277 HD3 LYS 43 2HD LYS 43 -0.696 -17.280 -1.403 278 HE3 LYS 43 2HE LYS 43 -2.801 -18.031 -2.802 279 HZ1 LYS 43 3HZ LYS 43 -0.739 -19.787 -1.704 280 HZ2 LYS 43 1HZ LYS 43 -0.909 -19.206 -3.201 281 HZ3 LYS 43 2HZ LYS 43 -1.909 -20.418 -2.710 282 H THR 44 H THR 44 2.096 -17.927 3.445 283 HA THR 44 HA THR 44 2.054 -15.149 4.419 284 HB THR 44 HB THR 44 3.471 -15.729 6.345 285 HG1 THR 44 1HG THR 44 2.472 -18.366 6.046 286 HG21 THR 44 3HG2 THR 44 1.067 -15.176 6.591 287 HG22 THR 44 1HG2 THR 44 1.697 -16.217 7.870 288 HG23 THR 44 2HG2 THR 44 0.681 -16.906 6.573 289 H GLY 45 H GLY 45 4.555 -14.686 4.940 290 HA2 GLY 45 1HA GLY 45 6.483 -14.171 3.935 291 HA3 GLY 45 2HA GLY 45 6.678 -15.917 3.944 292 H ASP 46 H ASP 46 7.311 -16.632 1.992 293 HA ASP 46 HA ASP 46 7.461 -14.922 -0.258 294 HB3 ASP 46 2HB ASP 46 7.586 -17.894 -0.628 295 H ASP 47 H ASP 47 4.932 -17.218 0.656 296 HA ASP 47 HA ASP 47 3.712 -17.315 -1.979 297 HB3 ASP 47 2HB ASP 47 2.262 -17.994 0.479 298 H ALA 48 H ALA 48 3.172 -15.693 1.023 299 HA ALA 48 HA ALA 48 0.879 -14.036 0.230 300 HB1 ALA 48 1HB ALA 48 1.540 -12.566 2.075 301 HB2 ALA 48 2HB ALA 48 1.571 -14.258 2.590 302 HB3 ALA 48 3HB ALA 48 3.098 -13.396 2.225 303 H ARG 49 H ARG 49 4.451 -13.751 -0.132 304 HA ARG 49 HA ARG 49 4.545 -11.148 -1.181 305 HB3 ARG 49 2HB ARG 49 6.363 -13.107 -2.474 306 HG3 ARG 49 2HG ARG 49 7.114 -11.031 -0.445 307 HD3 ARG 49 2HD ARG 49 9.054 -10.727 -1.965 308 HE ARG 49 HE ARG 49 9.074 -13.646 -1.833 309 HH11 ARG 49 1HH1 ARG 49 9.355 -10.742 0.299 310 HH12 ARG 49 2HH1 ARG 49 10.683 -11.466 1.092 311 HH21 ARG 49 1HH2 ARG 49 10.196 -14.670 -0.303 312 HH22 ARG 49 2HH2 ARG 49 10.675 -13.921 1.214 313 H ALA 50 H ALA 50 4.309 -14.304 -2.869 314 HA ALA 50 HA ALA 50 3.972 -13.364 -5.483 315 HB1 ALA 50 1HB ALA 50 3.061 -15.625 -5.945 316 HB2 ALA 50 2HB ALA 50 4.493 -15.706 -4.897 317 HB3 ALA 50 3HB ALA 50 2.871 -15.916 -4.211 318 H TYR 51 H TYR 51 1.486 -14.135 -3.024 319 HA TYR 51 HA TYR 51 -0.806 -13.485 -4.519 320 HB3 TYR 51 2HB TYR 51 -0.247 -13.212 -1.539 321 HD1 TYR 51 1HD TYR 51 -3.042 -14.451 -3.741 322 HD2 TYR 51 2HD TYR 51 -1.896 -11.834 -0.497 323 HE1 TYR 51 1HE TYR 51 -5.365 -13.780 -3.444 324 HE2 TYR 51 2HE TYR 51 -4.165 -11.163 -0.197 325 HH TYR 51 HH TYR 51 -6.853 -12.620 -2.156 326 H ALA 52 H ALA 52 1.348 -11.311 -2.603 327 HA ALA 52 HA ALA 52 -0.401 -9.042 -3.020 328 HB1 ALA 52 1HB ALA 52 1.402 -7.722 -1.969 329 HB2 ALA 52 2HB ALA 52 0.913 -9.108 -1.008 330 HB3 ALA 52 3HB ALA 52 2.434 -9.174 -1.947 331 H LEU 53 H LEU 53 1.526 -10.561 -5.329 332 HA LEU 53 HA LEU 53 2.557 -8.133 -6.600 333 HB3 LEU 53 2HB LEU 53 3.336 -9.516 -8.358 334 HG LEU 53 HG LEU 53 3.558 -11.283 -5.933 335 HD11 LEU 53 1HD1 LEU 53 5.530 -10.975 -8.193 336 HD12 LEU 53 2HD1 LEU 53 4.263 -12.200 -8.191 337 HD13 LEU 53 3HD1 LEU 53 5.504 -12.200 -6.925 338 HD21 LEU 53 3HD2 LEU 53 5.405 -8.996 -6.690 339 HD22 LEU 53 1HD2 LEU 53 5.660 -10.202 -5.398 340 HD23 LEU 53 2HD2 LEU 53 4.329 -9.062 -5.271 341 H THR 54 H THR 54 -0.567 -9.084 -6.256 342 HA THR 54 HA THR 54 -1.414 -7.914 -8.864 343 HB THR 54 HB THR 54 -1.647 -10.168 -9.245 344 HG1 THR 54 1HG THR 54 -3.726 -10.526 -9.420 345 HG21 THR 54 3HG2 THR 54 -2.727 -11.812 -7.710 346 HG22 THR 54 1HG2 THR 54 -2.740 -10.570 -6.443 347 HG23 THR 54 2HG2 THR 54 -1.201 -11.195 -7.098 348 H VAL 55 H VAL 55 -1.954 -8.002 -5.382 349 HA VAL 55 HA VAL 55 -4.566 -7.134 -5.309 350 HB VAL 55 HB VAL 55 -4.000 -6.458 -2.989 351 HG11 VAL 55 1HG1 VAL 55 -2.585 -9.054 -3.725 352 HG12 VAL 55 2HG1 VAL 55 -3.410 -8.646 -2.207 353 HG13 VAL 55 3HG1 VAL 55 -4.337 -8.868 -3.694 354 HG21 VAL 55 3HG2 VAL 55 -1.779 -5.437 -3.411 355 HG22 VAL 55 1HG2 VAL 55 -1.730 -6.630 -2.120 356 HG23 VAL 55 2HG2 VAL 55 -1.107 -7.032 -3.728 357 H VAL 56 H VAL 56 -2.100 -5.170 -6.583 358 HA VAL 56 HA VAL 56 -3.011 -2.696 -5.297 359 HB VAL 56 HB VAL 56 -0.785 -3.036 -7.360 360 HG11 VAL 56 1HG1 VAL 56 -0.003 -0.923 -6.690 361 HG12 VAL 56 2HG1 VAL 56 -1.742 -0.681 -6.694 362 HG13 VAL 56 3HG1 VAL 56 -0.875 -0.935 -5.165 363 HG21 VAL 56 3HG2 VAL 56 -0.174 -4.499 -5.517 364 HG22 VAL 56 1HG2 VAL 56 0.791 -3.024 -5.398 365 HG23 VAL 56 2HG2 VAL 56 -0.608 -3.254 -4.332 366 H THR 57 H THR 57 -4.634 -1.721 -6.115 367 HA THR 57 HA THR 57 -5.036 -1.394 -9.026 368 HB THR 57 HB THR 57 -6.252 -3.345 -8.393 369 HG1 THR 57 1HG THR 57 -7.761 -1.117 -9.145 370 HG21 THR 57 3HG2 THR 57 -6.532 -2.962 -5.967 371 HG22 THR 57 1HG2 THR 57 -7.953 -3.546 -6.788 372 HG23 THR 57 2HG2 THR 57 -7.860 -1.825 -6.348 373 H SER 58 H SER 58 -6.246 -0.483 -5.756 374 HA SER 58 HA SER 58 -6.566 1.486 -4.756 375 HB3 SER 58 2HB SER 58 -4.790 2.842 -6.823 376 HG SER 58 HG SER 58 -5.693 4.150 -5.199 377 H ASP 59 H ASP 59 -8.584 0.689 -6.039 378 HA ASP 59 HA ASP 59 -9.916 2.984 -7.367 379 HB3 ASP 59 2HB ASP 59 -11.068 1.279 -8.742 380 H PHE 60 H PHE 60 -11.606 3.473 -5.884 381 HA PHE 60 HA PHE 60 -13.455 1.684 -4.909 382 HB3 PHE 60 2HB PHE 60 -12.011 2.427 -2.376 383 HD1 PHE 60 2HD PHE 60 -14.860 1.869 -2.437 384 HD2 PHE 60 1HD PHE 60 -11.552 -0.909 -2.618 385 HE1 PHE 60 2HE PHE 60 -16.336 0.046 -1.679 386 HE2 PHE 60 1HE PHE 60 -13.046 -2.713 -1.761 387 HZ PHE 60 HZ PHE 60 -15.460 -2.245 -1.403 388 H ASP 61 H ASP 61 -13.529 4.193 -6.136 389 HA ASP 61 HA ASP 61 -13.998 6.166 -3.910 390 HB3 ASP 61 2HB ASP 61 -12.985 7.072 -6.568 391 H GLU 62 H GLU 62 -15.475 4.484 -6.459 392 HA GLU 62 HA GLU 62 -17.670 6.458 -6.683 393 HB3 GLU 62 2HB GLU 62 -17.484 5.618 -9.237 394 HG3 GLU 62 2HG GLU 62 -16.414 7.914 -7.759 395 HA PRO 63 HA PRO 63 -20.335 3.058 -6.206 396 HB3 PRO 63 2HB PRO 63 -22.055 4.623 -6.403 397 HG3 PRO 63 2HG PRO 63 -22.086 6.186 -8.256 398 HD3 PRO 63 2HD PRO 63 -20.116 6.442 -6.952 399 H GLY 64 H GLY 64 -18.883 3.371 -9.279 400 HA2 GLY 64 1HA GLY 64 -19.947 0.772 -10.269 401 HA3 GLY 64 2HA GLY 64 -19.164 2.023 -11.223 402 H ASP 65 H ASP 65 -17.677 1.468 -8.135 403 HA ASP 65 HA ASP 65 -15.364 0.184 -9.471 404 HB3 ASP 65 2HB ASP 65 -14.219 0.745 -7.283 405 H GLU 66 H GLU 66 -18.079 -1.060 -8.179 406 HA GLU 66 HA GLU 66 -17.362 -2.616 -5.982 407 HB3 GLU 66 2HB GLU 66 -19.257 -4.077 -6.576 408 HG3 GLU 66 2HG GLU 66 -20.006 -1.254 -7.432 409 H ASP 67 H ASP 67 -16.947 -3.417 -9.421 410 HA ASP 67 HA ASP 67 -16.256 -6.085 -9.076 411 HB3 ASP 67 2HB ASP 67 -14.643 -5.744 -11.116 412 H VAL 68 H VAL 68 -14.341 -3.269 -8.217 413 HA VAL 68 HA VAL 68 -11.723 -4.433 -8.344 414 HB VAL 68 HB VAL 68 -12.765 -2.192 -6.564 415 HG11 VAL 68 1HG1 VAL 68 -10.007 -3.153 -7.343 416 HG12 VAL 68 2HG1 VAL 68 -10.273 -1.549 -6.686 417 HG13 VAL 68 3HG1 VAL 68 -10.663 -2.943 -5.699 418 HG21 VAL 68 3HG2 VAL 68 -12.151 -0.639 -8.217 419 HG22 VAL 68 1HG2 VAL 68 -11.257 -1.836 -9.185 420 HG23 VAL 68 2HG2 VAL 68 -13.027 -1.840 -9.135 421 H PHE 69 H PHE 69 -14.343 -4.461 -5.949 422 HA PHE 69 HA PHE 69 -12.632 -5.804 -3.915 423 HB3 PHE 69 2HB PHE 69 -14.172 -3.740 -3.557 424 HD1 PHE 69 2HD PHE 69 -15.816 -6.861 -2.479 425 HD2 PHE 69 1HD PHE 69 -16.283 -2.906 -4.029 426 HE1 PHE 69 2HE PHE 69 -18.297 -7.196 -2.562 427 HE2 PHE 69 1HE PHE 69 -18.764 -3.169 -3.980 428 HZ PHE 69 HZ PHE 69 -19.761 -5.336 -3.295 429 H ARG 70 H ARG 70 -14.957 -6.494 -6.378 430 HA ARG 70 HA ARG 70 -16.203 -8.588 -5.238 431 HB3 ARG 70 2HB ARG 70 -16.632 -7.305 -7.425 432 HG3 ARG 70 2HG ARG 70 -14.718 -9.200 -8.580 433 HD3 ARG 70 2HD ARG 70 -17.643 -9.720 -9.063 434 HE ARG 70 HE ARG 70 -16.899 -8.605 -11.138 435 HH11 ARG 70 1HH1 ARG 70 -15.957 -12.022 -10.585 436 HH12 ARG 70 2HH1 ARG 70 -15.829 -12.344 -12.297 437 HH21 ARG 70 1HH2 ARG 70 -17.022 -9.238 -13.351 438 HH22 ARG 70 2HH2 ARG 70 -16.482 -10.811 -13.826 439 H LYS 71 H LYS 71 -13.111 -8.832 -6.704 440 HA LYS 71 HA LYS 71 -13.137 -11.689 -7.065 441 HB3 LYS 71 2HB LYS 71 -10.934 -11.580 -7.759 442 HG3 LYS 71 2HG LYS 71 -12.274 -9.843 -9.153 443 HD3 LYS 71 2HD LYS 71 -10.638 -8.043 -7.303 444 HE3 LYS 71 2HE LYS 71 -11.090 -6.178 -8.786 445 HZ1 LYS 71 3HZ LYS 71 -9.427 -6.595 -10.370 446 HZ2 LYS 71 1HZ LYS 71 -9.651 -8.216 -10.327 447 HZ3 LYS 71 2HZ LYS 71 -9.001 -7.409 -9.024 448 H LEU 72 H LEU 72 -11.531 -9.473 -4.774 449 HA LEU 72 HA LEU 72 -10.651 -11.167 -2.822 450 HB3 LEU 72 2HB LEU 72 -11.890 -8.879 -1.532 451 HG LEU 72 HG LEU 72 -9.056 -9.405 -2.481 452 HD11 LEU 72 1HD1 LEU 72 -10.178 -7.238 -0.666 453 HD12 LEU 72 2HD1 LEU 72 -9.398 -7.000 -2.243 454 HD13 LEU 72 3HD1 LEU 72 -8.457 -7.584 -0.859 455 HD21 LEU 72 3HD2 LEU 72 -10.350 -9.616 0.268 456 HD22 LEU 72 1HD2 LEU 72 -8.627 -9.880 -0.093 457 HD23 LEU 72 2HD2 LEU 72 -9.846 -10.985 -0.741 458 H ALA 73 H ALA 73 -13.885 -9.578 -2.877 459 HA ALA 73 HA ALA 73 -14.829 -10.766 -0.564 460 HB1 ALA 73 1HB ALA 73 -17.034 -10.006 -1.316 461 HB2 ALA 73 2HB ALA 73 -15.803 -8.819 -1.754 462 HB3 ALA 73 3HB ALA 73 -16.459 -9.891 -3.001 463 H ALA 74 H ALA 74 -15.186 -12.020 -3.919 464 HA ALA 74 HA ALA 74 -16.694 -14.310 -3.089 465 HB1 ALA 74 1HB ALA 74 -16.812 -13.356 -5.351 466 HB2 ALA 74 2HB ALA 74 -15.107 -13.753 -5.631 467 HB3 ALA 74 3HB ALA 74 -16.296 -15.060 -5.399 468 H ASP 75 H ASP 75 -13.171 -13.824 -3.535 469 HA ASP 75 HA ASP 75 -12.592 -16.704 -3.442 470 HB3 ASP 75 2HB ASP 75 -10.297 -15.156 -2.641 471 H LEU 76 H LEU 76 -12.547 -13.956 -1.261 472 HA LEU 76 HA LEU 76 -11.702 -15.430 1.104 473 HB3 LEU 76 2HB LEU 76 -12.592 -12.532 0.876 474 HG LEU 76 HG LEU 76 -11.818 -13.214 3.146 475 HD11 LEU 76 1HD1 LEU 76 -9.303 -13.651 3.318 476 HD12 LEU 76 2HD1 LEU 76 -9.301 -13.981 1.587 477 HD13 LEU 76 3HD1 LEU 76 -10.246 -15.007 2.693 478 HD21 LEU 76 3HD2 LEU 76 -10.307 -11.390 3.459 479 HD22 LEU 76 1HD2 LEU 76 -11.360 -10.915 2.123 480 HD23 LEU 76 2HD2 LEU 76 -9.716 -11.486 1.790 481 H GLU 77 H GLU 77 -14.477 -15.651 -0.420 482 HA GLU 77 HA GLU 77 -16.510 -14.594 1.113 483 HB3 GLU 77 2HB GLU 77 -16.471 -17.152 -0.545 484 HG3 GLU 77 2HG GLU 77 -18.701 -15.442 0.629 485 H GLY 78 H GLY 78 -17.199 -14.985 3.022 486 HA2 GLY 78 1HA GLY 78 -17.797 -16.316 4.941 487 HA3 GLY 78 2HA GLY 78 -16.611 -17.523 4.477 488 H LYS 79 H LYS 79 -14.788 -14.895 4.035 489 HA LYS 79 HA LYS 79 -13.858 -14.765 6.878 490 HB3 LYS 79 2HB LYS 79 -11.550 -14.883 5.949 491 HG3 LYS 79 2HG LYS 79 -13.248 -17.261 5.057 492 HD3 LYS 79 2HD LYS 79 -11.218 -18.503 5.876 493 HE3 LYS 79 2HE LYS 79 -9.756 -17.242 3.798 494 HZ1 LYS 79 3HZ LYS 79 -10.252 -19.612 4.046 495 HZ2 LYS 79 1HZ LYS 79 -10.591 -19.088 2.485 496 HZ3 LYS 79 2HZ LYS 79 -11.791 -19.372 3.535 497 H ALA 80 H ALA 80 -15.261 -12.796 4.689 498 HA ALA 80 HA ALA 80 -14.062 -10.505 5.980 499 HB1 ALA 80 1HB ALA 80 -12.656 -10.638 3.983 500 HB2 ALA 80 2HB ALA 80 -14.093 -10.726 2.929 501 HB3 ALA 80 3HB ALA 80 -13.737 -9.247 3.851 502 H ASP 81 H ASP 81 -15.375 -8.478 5.115 503 HA ASP 81 HA ASP 81 -18.234 -9.169 4.795 504 HB3 ASP 81 2HB ASP 81 -18.932 -7.679 6.447 505 H GLU 82 H GLU 82 -19.404 -7.439 3.860 506 HA GLU 82 HA GLU 82 -18.107 -6.123 1.728 507 HB3 GLU 82 2HB GLU 82 -20.490 -5.043 1.581 508 HG3 GLU 82 2HG GLU 82 -21.514 -7.182 0.879 509 H GLU 83 H GLU 83 -18.726 -5.046 4.967 510 HA GLU 83 HA GLU 83 -17.848 -2.292 4.290 511 HB3 GLU 83 2HB GLU 83 -19.710 -2.602 5.811 512 HG3 GLU 83 2HG GLU 83 -17.668 -4.011 7.584 513 H THR 84 H THR 84 -16.426 -5.301 5.366 514 HA THR 84 HA THR 84 -14.295 -4.052 6.915 515 HB THR 84 HB THR 84 -14.945 -6.902 6.110 516 HG1 THR 84 1HG THR 84 -15.719 -7.038 8.075 517 HG21 THR 84 3HG2 THR 84 -12.643 -5.955 7.860 518 HG22 THR 84 1HG2 THR 84 -12.508 -6.823 6.318 519 HG23 THR 84 2HG2 THR 84 -13.205 -7.635 7.716 520 H ILE 85 H ILE 85 -14.608 -5.533 3.622 521 HA ILE 85 HA ILE 85 -11.831 -5.587 3.041 522 HB ILE 85 HB ILE 85 -14.182 -5.132 1.137 523 HG13 ILE 85 2HG1 ILE 85 -14.104 -7.304 2.572 524 HG21 ILE 85 1HG2 ILE 85 -11.315 -5.822 0.523 525 HG22 ILE 85 2HG2 ILE 85 -12.658 -6.026 -0.633 526 HG23 ILE 85 3HG2 ILE 85 -12.260 -4.428 -0.032 527 HD11 ILE 85 3HD1 ILE 85 -14.735 -8.796 0.827 528 HD12 ILE 85 1HD1 ILE 85 -15.398 -7.196 0.451 529 HD13 ILE 85 2HD1 ILE 85 -13.964 -7.800 -0.415 530 H ARG 86 H ARG 86 -14.193 -2.976 2.075 531 HA ARG 86 HA ARG 86 -12.188 -1.254 1.283 532 HB3 ARG 86 2HB ARG 86 -14.532 -0.994 0.742 533 HG3 ARG 86 2HG ARG 86 -15.043 -0.755 3.526 534 HD3 ARG 86 2HD ARG 86 -15.695 1.750 1.944 535 HE ARG 86 HE ARG 86 -16.518 0.721 4.587 536 HH11 ARG 86 1HH1 ARG 86 -16.629 3.557 2.345 537 HH12 ARG 86 2HH1 ARG 86 -17.651 4.437 3.408 538 HH21 ARG 86 1HH2 ARG 86 -18.196 1.772 5.671 539 HH22 ARG 86 2HH2 ARG 86 -18.708 3.336 5.170 540 H ALA 87 H ALA 87 -13.485 -1.645 4.546 541 HA ALA 87 HA ALA 87 -12.286 0.603 5.749 542 HB1 ALA 87 1HB ALA 87 -12.836 -2.123 7.006 543 HB2 ALA 87 2HB ALA 87 -12.481 -0.624 7.889 544 HB3 ALA 87 3HB ALA 87 -13.958 -0.751 6.930 545 H LYS 88 H LYS 88 -11.018 -2.710 5.265 546 HA LYS 88 HA LYS 88 -8.580 -2.399 6.640 547 HB3 LYS 88 2HB LYS 88 -8.124 -4.180 4.440 548 HG3 LYS 88 2HG LYS 88 -7.633 -4.390 6.985 549 HD3 LYS 88 2HD LYS 88 -9.969 -6.197 7.211 550 HE3 LYS 88 2HE LYS 88 -8.996 -3.964 9.038 551 HZ1 LYS 88 3HZ LYS 88 -10.356 -6.473 9.761 552 HZ2 LYS 88 1HZ LYS 88 -11.150 -5.014 9.574 553 HZ3 LYS 88 2HZ LYS 88 -10.014 -5.191 10.730 554 H MET 89 H MET 89 -9.461 -1.092 3.495 555 HA MET 89 HA MET 89 -6.702 -0.694 2.634 556 HB3 MET 89 2HB MET 89 -7.610 0.491 0.818 557 HG3 MET 89 2HG MET 89 -9.822 -1.496 1.378 558 HE1 MET 89 3HE MET 89 -10.026 -2.906 -2.273 559 HE2 MET 89 1HE MET 89 -8.984 -3.500 -0.957 560 HE3 MET 89 2HE MET 89 -10.655 -3.007 -0.610 561 H VAL 90 H VAL 90 -9.196 1.235 4.280 562 HA VAL 90 HA VAL 90 -7.605 3.636 4.385 563 HB VAL 90 HB VAL 90 -9.992 2.865 6.128 564 HG11 VAL 90 1HG1 VAL 90 -8.853 4.886 6.843 565 HG12 VAL 90 2HG1 VAL 90 -8.844 5.523 5.173 566 HG13 VAL 90 3HG1 VAL 90 -10.370 5.346 6.053 567 HG21 VAL 90 3HG2 VAL 90 -10.045 4.122 3.349 568 HG22 VAL 90 1HG2 VAL 90 -10.697 2.527 3.786 569 HG23 VAL 90 2HG2 VAL 90 -11.430 3.974 4.455 570 H GLU 91 H GLU 91 -8.101 0.832 6.462 571 HA GLU 91 HA GLU 91 -7.299 1.586 8.901 572 HB3 GLU 91 2HB GLU 91 -6.502 -1.021 7.544 573 HG3 GLU 91 2HG GLU 91 -6.620 -0.121 10.398 574 H LEU 92 H LEU 92 -4.847 0.277 6.551 575 HA LEU 92 HA LEU 92 -2.637 1.134 8.087 576 HB3 LEU 92 2HB LEU 92 -1.430 0.324 6.034 577 HG LEU 92 HG LEU 92 -1.633 -1.795 6.439 578 HD11 LEU 92 1HD1 LEU 92 -2.514 -2.547 8.531 579 HD12 LEU 92 2HD1 LEU 92 -3.526 -1.106 8.679 580 HD13 LEU 92 3HD1 LEU 92 -1.756 -0.965 8.719 581 HD21 LEU 92 3HD2 LEU 92 -3.582 -2.120 4.986 582 HD22 LEU 92 1HD2 LEU 92 -4.642 -1.805 6.385 583 HD23 LEU 92 2HD2 LEU 92 -3.567 -3.211 6.369 584 H ARG 93 H ARG 93 -4.447 3.401 7.238 585 HA ARG 93 HA ARG 93 -3.470 4.967 5.193 586 HB3 ARG 93 2HB ARG 93 -4.133 6.779 7.281 587 HG3 ARG 93 2HG ARG 93 -6.003 5.523 5.234 588 HD3 ARG 93 2HD ARG 93 -6.068 8.083 6.895 589 HE ARG 93 HE ARG 93 -8.201 7.851 4.995 590 HH11 ARG 93 1HH1 ARG 93 -4.834 8.950 5.224 591 HH12 ARG 93 2HH1 ARG 93 -4.983 10.061 3.886 592 HH21 ARG 93 1HH2 ARG 93 -8.340 9.316 3.194 593 HH22 ARG 93 2HH2 ARG 93 -6.942 10.228 2.743 594 H ALA 94 H ALA 94 -2.206 4.969 8.560 595 HA ALA 94 HA ALA 94 -0.112 6.943 7.857 596 HB1 ALA 94 1HB ALA 94 -1.198 7.077 10.071 597 HB2 ALA 94 2HB ALA 94 -0.671 5.414 10.425 598 HB3 ALA 94 3HB ALA 94 0.532 6.703 10.219 599 H THR 95 H THR 95 -0.450 3.433 8.665 600 HA THR 95 HA THR 95 2.104 2.625 8.820 601 HB THR 95 HB THR 95 0.020 1.121 7.271 602 HG1 THR 95 1HG THR 95 -0.025 1.198 10.092 603 HG21 THR 95 3HG2 THR 95 2.016 0.224 9.370 604 HG22 THR 95 1HG2 THR 95 2.106 -0.077 7.619 605 HG23 THR 95 2HG2 THR 95 0.815 -0.816 8.574 606 H ALA 96 H ALA 96 0.291 3.253 5.793 607 HA ALA 96 HA ALA 96 2.174 2.329 3.947 608 HB1 ALA 96 1HB ALA 96 1.018 3.777 2.331 609 HB2 ALA 96 2HB ALA 96 -0.153 3.009 3.422 610 HB3 ALA 96 3HB ALA 96 0.293 4.713 3.651 611 H ARG 97 H ARG 97 2.220 5.500 5.646 612 HA ARG 97 HA ARG 97 4.593 6.279 4.041 613 HB3 ARG 97 2HB ARG 97 2.938 8.062 4.390 614 HG3 ARG 97 2HG ARG 97 3.525 7.734 7.375 615 HD3 ARG 97 2HD ARG 97 1.930 9.769 7.489 616 HE ARG 97 HE ARG 97 4.572 10.578 6.400 617 HH11 ARG 97 1HH1 ARG 97 2.895 9.602 9.368 618 HH12 ARG 97 2HH1 ARG 97 3.779 10.664 10.392 619 HH21 ARG 97 1HH2 ARG 97 5.570 12.170 7.721 620 HH22 ARG 97 2HH2 ARG 97 5.448 12.068 9.453 621 H GLU 98 H GLU 98 3.753 5.012 7.183 622 HA GLU 98 HA GLU 98 6.199 5.574 8.496 623 HB3 GLU 98 2HB GLU 98 5.315 3.271 9.632 624 HG3 GLU 98 2HG GLU 98 3.510 5.589 10.190 625 H GLN 99 H GLN 99 5.127 2.635 6.677 626 HA GLN 99 HA GLN 99 7.296 1.057 7.424 627 HB3 GLN 99 2HB GLN 99 6.793 -0.270 5.344 628 HG3 GLN 99 2HG GLN 99 4.502 0.387 7.253 629 HE21 GLN 99 1HE2 GLN 99 3.756 -1.922 8.246 630 HE22 GLN 99 2HE2 GLN 99 3.646 -3.157 7.014 631 H ILE 100 H ILE 100 7.230 3.502 4.884 632 HA ILE 100 HA ILE 100 9.590 2.712 3.474 633 HB ILE 100 HB ILE 100 8.360 5.425 3.931 634 HG13 ILE 100 2HG1 ILE 100 7.092 5.093 1.784 635 HG21 ILE 100 1HG2 ILE 100 10.484 5.713 2.800 636 HG22 ILE 100 2HG2 ILE 100 10.116 4.438 1.634 637 HG23 ILE 100 3HG2 ILE 100 9.191 5.974 1.611 638 HD11 ILE 100 3HD1 ILE 100 6.696 2.902 0.890 639 HD12 ILE 100 1HD1 ILE 100 8.428 3.192 0.813 640 HD13 ILE 100 2HD1 ILE 100 7.756 2.140 2.082 641 H ILE 101 H ILE 101 9.107 4.613 6.427 642 HA ILE 101 HA ILE 101 11.982 5.390 6.524 643 HB ILE 101 HB ILE 101 9.627 6.089 8.346 644 HG13 ILE 101 2HG1 ILE 101 9.375 7.089 6.115 645 HG21 ILE 101 1HG2 ILE 101 11.158 7.767 9.358 646 HG22 ILE 101 2HG2 ILE 101 11.816 6.159 9.553 647 HG23 ILE 101 3HG2 ILE 101 12.475 7.218 8.296 648 HD11 ILE 101 3HD1 ILE 101 10.502 9.308 7.842 649 HD12 ILE 101 1HD1 ILE 101 9.287 9.404 6.563 650 HD13 ILE 101 2HD1 ILE 101 8.894 8.575 8.086 651 H SER 102 H SER 102 9.748 3.017 7.583 652 HA SER 102 HA SER 102 11.365 2.019 9.821 653 HB3 SER 102 2HB SER 102 9.348 0.416 8.210 654 HG SER 102 HG SER 102 10.610 -0.365 10.189 655 H GLU 103 H GLU 103 11.116 1.423 6.308 656 HA GLU 103 HA GLU 103 13.345 -0.512 6.332 657 HB3 GLU 103 2HB GLU 103 12.038 -1.848 4.727 658 HG3 GLU 103 2HG GLU 103 10.449 -1.326 7.289 659 H ILE 104 H ILE 104 14.431 1.412 5.924 660 HA ILE 104 HA ILE 104 14.055 3.055 3.607 661 HB ILE 104 HB ILE 104 16.560 2.878 5.322 662 HG13 ILE 104 2HG1 ILE 104 14.477 3.058 6.826 663 HG21 ILE 104 1HG2 ILE 104 16.716 5.330 4.817 664 HG22 ILE 104 2HG2 ILE 104 16.655 4.401 3.345 665 HG23 ILE 104 3HG2 ILE 104 15.200 5.213 3.877 666 HD11 ILE 104 3HD1 ILE 104 16.619 3.871 7.640 667 HD12 ILE 104 1HD1 ILE 104 16.288 5.475 6.962 668 HD13 ILE 104 2HD1 ILE 104 15.238 4.814 8.218 Start of MODEL 18 1 H1 MET 1 H MET 1 2.622 1.863 -12.015 2 HA MET 1 HA MET 1 1.633 1.109 -14.093 3 HB3 MET 1 2HB MET 1 0.538 3.841 -14.687 4 HG3 MET 1 2HG MET 1 -0.161 0.956 -15.368 5 HE1 MET 1 3HE MET 1 -2.675 2.398 -14.229 6 HE2 MET 1 1HE MET 1 -3.836 2.102 -15.531 7 HE3 MET 1 2HE MET 1 -2.700 0.826 -15.064 8 H THR 2 H THR 2 2.495 4.655 -14.066 9 HA THR 2 HA THR 2 5.111 4.033 -15.248 10 HB THR 2 HB THR 2 4.238 6.013 -16.077 11 HG1 THR 2 1HG THR 2 5.774 7.286 -15.618 12 HG21 THR 2 3HG2 THR 2 3.285 7.877 -14.689 13 HG22 THR 2 1HG2 THR 2 3.250 6.770 -13.298 14 HG23 THR 2 2HG2 THR 2 2.279 6.441 -14.756 15 H THR 3 H THR 3 6.899 5.118 -13.906 16 HA THR 3 HA THR 3 6.615 4.895 -10.974 17 HB THR 3 HB THR 3 9.352 4.322 -11.961 18 HG1 THR 3 1HG THR 3 8.004 3.114 -13.389 19 HG21 THR 3 3HG2 THR 3 9.359 2.690 -10.159 20 HG22 THR 3 1HG2 THR 3 7.613 2.913 -9.901 21 HG23 THR 3 2HG2 THR 3 8.748 4.245 -9.575 22 H PHE 4 H PHE 4 8.852 5.995 -13.578 23 HA PHE 4 HA PHE 4 9.564 8.003 -14.265 24 HB3 PHE 4 2HB PHE 4 7.870 9.336 -12.152 25 HD1 PHE 4 2HD PHE 4 8.601 10.095 -15.763 26 HD2 PHE 4 1HD PHE 4 8.937 11.362 -11.647 27 HE1 PHE 4 2HE PHE 4 9.281 12.381 -16.495 28 HE2 PHE 4 1HE PHE 4 9.599 13.622 -12.394 29 HZ PHE 4 HZ PHE 4 9.750 14.132 -14.831 30 H ASP 5 H ASP 5 11.363 7.011 -13.722 31 HA ASP 5 HA ASP 5 13.009 6.081 -12.685 32 HB3 ASP 5 2HB ASP 5 13.517 8.746 -12.950 33 H ASP 6 H ASP 6 14.323 6.462 -10.152 34 HA ASP 6 HA ASP 6 12.595 6.404 -8.015 35 HB3 ASP 6 2HB ASP 6 13.600 3.592 -8.657 36 H ARG 7 H ARG 7 14.059 7.388 -6.650 37 HA ARG 7 HA ARG 7 16.968 6.921 -7.147 38 HB3 ARG 7 2HB ARG 7 15.878 9.179 -7.636 39 HG3 ARG 7 2HG ARG 7 16.142 9.687 -4.673 40 HD3 ARG 7 2HD ARG 7 14.458 11.480 -5.136 41 HE ARG 7 HE ARG 7 16.465 12.250 -7.026 42 HH11 ARG 7 1HH1 ARG 7 15.992 11.631 -3.529 43 HH12 ARG 7 2HH1 ARG 7 17.396 12.535 -3.061 44 HH21 ARG 7 1HH2 ARG 7 18.183 13.609 -6.334 45 HH22 ARG 7 2HH2 ARG 7 18.480 13.888 -4.654 46 H GLU 8 H GLU 8 18.242 7.761 -4.949 47 HA GLU 8 HA GLU 8 17.701 6.032 -2.797 48 HB3 GLU 8 2HB GLU 8 19.866 6.934 -2.936 49 HG3 GLU 8 2HG GLU 8 19.948 9.552 -2.224 50 H ARG 9 H ARG 9 17.460 7.041 -0.466 51 HA ARG 9 HA ARG 9 14.650 8.014 -0.481 52 HB3 ARG 9 2HB ARG 9 14.768 7.366 1.997 53 HG3 ARG 9 2HG ARG 9 15.188 5.398 -0.257 54 HD3 ARG 9 2HD ARG 9 13.757 3.948 1.453 55 HE ARG 9 HE ARG 9 16.742 4.155 1.476 56 HH11 ARG 9 1HH1 ARG 9 13.834 2.133 1.125 57 HH12 ARG 9 2HH1 ARG 9 14.734 0.681 0.826 58 HH21 ARG 9 1HH2 ARG 9 17.881 2.255 0.873 59 HH22 ARG 9 2HH2 ARG 9 17.029 0.775 0.576 60 H ALA 10 H ALA 10 17.371 8.710 1.699 61 HA ALA 10 HA ALA 10 17.976 10.570 2.852 62 HB1 ALA 10 1HB ALA 10 19.034 10.880 0.689 63 HB2 ALA 10 2HB ALA 10 17.629 11.794 0.092 64 HB3 ALA 10 3HB ALA 10 18.614 12.440 1.429 65 H HIS 11 H HIS 11 16.083 10.393 4.095 66 HA HIS 11 HA HIS 11 14.001 12.526 3.808 67 HB3 HIS 11 2HB HIS 11 13.466 10.263 2.821 68 HD1 HIS 11 1HD HIS 11 11.200 9.733 5.663 69 HD2 HIS 11 2HD HIS 11 15.149 8.574 4.702 70 HE1 HIS 11 1HE HIS 11 11.753 7.735 7.133 71 H GLU 12 H GLU 12 16.523 11.650 5.676 72 HA GLU 12 HA GLU 12 15.230 10.990 8.164 73 HB3 GLU 12 2HB GLU 12 17.436 11.321 9.168 74 HG3 GLU 12 2HG GLU 12 16.750 9.225 7.670 75 H ALA 13 H ALA 13 13.877 12.410 9.083 76 HA ALA 13 HA ALA 13 12.999 14.257 9.983 77 HB1 ALA 13 1HB ALA 13 15.845 15.242 10.150 78 HB2 ALA 13 2HB ALA 13 14.429 15.853 11.056 79 HB3 ALA 13 3HB ALA 13 15.015 14.207 11.319 80 H LYS 14 H LYS 14 13.724 14.163 6.983 81 HA LYS 14 HA LYS 14 13.518 16.986 6.157 82 HB3 LYS 14 2HB LYS 14 13.148 15.445 3.885 83 HG3 LYS 14 2HG LYS 14 15.973 15.342 4.623 84 HD3 LYS 14 2HD LYS 14 14.418 16.969 2.591 85 HE3 LYS 14 2HE LYS 14 17.298 16.036 2.491 86 HZ1 LYS 14 3HZ LYS 14 15.903 18.165 0.992 87 HZ2 LYS 14 1HZ LYS 14 15.992 16.625 0.451 88 HZ3 LYS 14 2HZ LYS 14 17.384 17.463 0.628 89 H PHE 15 H PHE 15 11.182 14.788 7.275 90 HA PHE 15 HA PHE 15 9.361 14.862 5.152 91 HB3 PHE 15 2HB PHE 15 8.084 14.547 7.776 92 HD1 PHE 15 1HD PHE 15 9.859 12.337 5.212 93 HD2 PHE 15 2HD PHE 15 6.117 13.297 7.208 94 HE1 PHE 15 1HE PHE 15 8.750 10.498 4.085 95 HE2 PHE 15 2HE PHE 15 5.087 11.387 6.175 96 HZ PHE 15 HZ PHE 15 6.382 9.991 4.512 97 H ALA 16 H ALA 16 9.747 16.972 7.891 98 HA ALA 16 HA ALA 16 7.582 18.798 7.214 99 HB1 ALA 16 1HB ALA 16 8.387 18.424 9.532 100 HB2 ALA 16 2HB ALA 16 9.964 19.134 9.088 101 HB3 ALA 16 3HB ALA 16 8.495 20.130 9.050 102 H HIS 17 H HIS 17 10.042 18.250 5.215 103 HA HIS 17 HA HIS 17 10.878 21.085 4.936 104 HB3 HIS 17 2HB HIS 17 12.696 18.860 4.147 105 HD1 HIS 17 1HD HIS 17 13.334 21.558 3.016 106 HD2 HIS 17 2HD HIS 17 14.131 20.535 7.025 107 HE1 HIS 17 1HE HIS 17 15.139 23.164 3.833 108 H ASP 18 H ASP 18 9.576 18.330 3.122 109 HA ASP 18 HA ASP 18 9.413 20.033 0.759 110 HB3 ASP 18 2HB ASP 18 10.295 17.736 -0.484 111 H ALA 19 H ALA 19 8.066 18.930 -0.950 112 HA ALA 19 HA ALA 19 5.814 17.474 0.167 113 HB1 ALA 19 1HB ALA 19 5.558 18.975 -1.785 114 HB2 ALA 19 2HB ALA 19 6.626 17.904 -2.747 115 HB3 ALA 19 3HB ALA 19 5.061 17.321 -2.159 116 H GLU 20 H GLU 20 8.581 16.545 -1.913 117 HA GLU 20 HA GLU 20 7.879 14.174 -2.863 118 HB3 GLU 20 2HB GLU 20 10.595 14.823 -1.683 119 HG3 GLU 20 2HG GLU 20 10.025 13.041 -4.068 120 H LEU 21 H LEU 21 9.651 14.258 0.468 121 HA LEU 21 HA LEU 21 9.415 11.605 0.831 122 HB3 LEU 21 2HB LEU 21 10.211 12.175 2.938 123 HG LEU 21 HG LEU 21 11.821 13.798 2.699 124 HD11 LEU 21 1HD1 LEU 21 11.557 12.904 -0.150 125 HD12 LEU 21 2HD1 LEU 21 12.248 11.976 1.188 126 HD13 LEU 21 3HD1 LEU 21 13.009 13.471 0.687 127 HD21 LEU 21 3HD2 LEU 21 10.362 15.692 2.202 128 HD22 LEU 21 1HD2 LEU 21 10.770 15.407 0.476 129 HD23 LEU 21 2HD2 LEU 21 12.031 15.700 1.646 130 H ASN 22 H ASN 22 7.115 14.179 1.624 131 HA ASN 22 HA ASN 22 5.306 12.628 3.238 132 HB3 ASN 22 2HB ASN 22 4.443 14.929 1.483 133 HD21 ASN 22 1HD2 ASN 22 3.497 16.596 3.350 134 HD22 ASN 22 2HD2 ASN 22 2.286 15.798 4.361 135 H PHE 23 H PHE 23 5.462 13.389 -0.271 136 HA PHE 23 HA PHE 23 3.204 11.956 -1.141 137 HB3 PHE 23 2HB PHE 23 5.826 12.022 -2.661 138 HD1 PHE 23 1HD PHE 23 4.906 10.090 -3.990 139 HD2 PHE 23 2HD PHE 23 2.882 13.892 -3.746 140 HE1 PHE 23 1HE PHE 23 3.601 9.541 -6.033 141 HE2 PHE 23 2HE PHE 23 1.582 13.322 -5.771 142 HZ PHE 23 HZ PHE 23 1.949 11.159 -6.934 143 H LYS 24 H LYS 24 6.558 10.766 -0.416 144 HA LYS 24 HA LYS 24 6.097 8.088 -1.121 145 HB3 LYS 24 2HB LYS 24 7.742 8.197 1.292 146 HG3 LYS 24 2HG LYS 24 9.393 8.329 -1.022 147 HD3 LYS 24 2HD LYS 24 8.998 5.601 -0.691 148 HE3 LYS 24 2HE LYS 24 11.210 6.631 -0.647 149 HZ1 LYS 24 3HZ LYS 24 10.375 7.568 2.006 150 HZ2 LYS 24 1HZ LYS 24 11.159 8.433 0.779 151 HZ3 LYS 24 2HZ LYS 24 11.918 7.280 1.697 152 H ALA 25 H ALA 25 5.105 9.753 1.871 153 HA ALA 25 HA ALA 25 4.177 7.297 3.126 154 HB1 ALA 25 1HB ALA 25 3.790 10.270 3.761 155 HB2 ALA 25 2HB ALA 25 2.767 9.034 4.506 156 HB3 ALA 25 3HB ALA 25 4.515 9.022 4.762 157 H GLU 26 H GLU 26 2.522 9.924 1.302 158 HA GLU 26 HA GLU 26 -0.050 8.742 1.436 159 HB3 GLU 26 2HB GLU 26 -0.579 10.043 -0.559 160 HG3 GLU 26 2HG GLU 26 1.285 12.015 0.600 161 H ALA 27 H ALA 27 2.730 7.958 -0.475 162 HA ALA 27 HA ALA 27 1.312 5.932 -2.120 163 HB1 ALA 27 1HB ALA 27 3.352 5.966 -3.497 164 HB2 ALA 27 2HB ALA 27 2.674 7.600 -3.297 165 HB3 ALA 27 3HB ALA 27 4.103 7.117 -2.367 166 H ARG 28 H ARG 28 2.071 5.728 0.863 167 HA ARG 28 HA ARG 28 3.204 2.969 0.562 168 HB3 ARG 28 2HB ARG 28 3.484 3.330 3.194 169 HG3 ARG 28 2HG ARG 28 5.699 4.738 2.434 170 HD3 ARG 28 2HD ARG 28 5.063 1.789 1.945 171 HE ARG 28 HE ARG 28 7.823 2.282 2.481 172 HH11 ARG 28 1HH1 ARG 28 5.589 2.454 -0.319 173 HH12 ARG 28 2HH1 ARG 28 6.810 1.935 -1.424 174 HH21 ARG 28 1HH2 ARG 28 9.357 1.839 1.047 175 HH22 ARG 28 2HH2 ARG 28 9.118 1.925 -0.675 176 H ARG 29 H ARG 29 0.265 4.662 0.903 177 HA ARG 29 HA ARG 29 -0.928 3.174 2.987 178 HB3 ARG 29 2HB ARG 29 -1.594 5.377 2.016 179 HG3 ARG 29 2HG ARG 29 -2.990 3.664 -0.068 180 HD3 ARG 29 2HD ARG 29 -3.025 6.675 0.362 181 HE ARG 29 HE ARG 29 -5.120 5.463 -1.242 182 HH11 ARG 29 1HH1 ARG 29 -1.868 6.915 -1.399 183 HH12 ARG 29 2HH1 ARG 29 -2.191 7.691 -2.914 184 HH21 ARG 29 1HH2 ARG 29 -5.395 6.186 -3.355 185 HH22 ARG 29 2HH2 ARG 29 -4.181 7.106 -4.154 186 H ASN 30 H ASN 30 -0.408 2.382 -0.406 187 HA ASN 30 HA ASN 30 -2.028 -0.053 -0.133 188 HB3 ASN 30 2HB ASN 30 -1.388 -0.358 -2.584 189 HD21 ASN 30 1HD2 ASN 30 -3.785 -0.296 -2.702 190 HD22 ASN 30 2HD2 ASN 30 -4.658 1.203 -2.798 191 H ARG 31 H ARG 31 1.250 0.807 0.384 192 HA ARG 31 HA ARG 31 2.614 -1.550 -0.543 193 HB3 ARG 31 2HB ARG 31 3.214 0.426 1.708 194 HG3 ARG 31 2HG ARG 31 5.617 -0.427 1.399 195 HD3 ARG 31 2HD ARG 31 4.467 -2.616 2.944 196 HE ARG 31 HE ARG 31 5.563 -0.325 4.390 197 HH11 ARG 31 1HH1 ARG 31 6.568 -3.259 2.591 198 HH12 ARG 31 2HH1 ARG 31 7.897 -3.534 3.661 199 HH21 ARG 31 1HH2 ARG 31 7.350 -0.572 5.551 200 HH22 ARG 31 2HH2 ARG 31 8.443 -1.888 5.378 201 H LEU 32 H LEU 32 1.405 -0.788 2.718 202 HA LEU 32 HA LEU 32 2.228 -3.285 3.825 203 HB3 LEU 32 2HB LEU 32 0.572 -2.475 5.685 204 HG LEU 32 HG LEU 32 3.219 -1.724 5.374 205 HD11 LEU 32 1HD1 LEU 32 1.606 0.853 5.567 206 HD12 LEU 32 2HD1 LEU 32 2.269 0.317 4.030 207 HD13 LEU 32 3HD1 LEU 32 3.366 0.698 5.395 208 HD21 LEU 32 3HD2 LEU 32 2.224 -2.145 7.533 209 HD22 LEU 32 1HD2 LEU 32 1.243 -0.665 7.426 210 HD23 LEU 32 2HD2 LEU 32 3.020 -0.564 7.539 211 H LEU 33 H LEU 33 -0.703 -2.256 2.287 212 HA LEU 33 HA LEU 33 -2.570 -4.255 2.989 213 HB3 LEU 33 2HB LEU 33 -3.348 -4.076 0.528 214 HG LEU 33 HG LEU 33 -3.063 -1.467 2.063 215 HD11 LEU 33 1HD1 LEU 33 -4.603 -0.508 0.533 216 HD12 LEU 33 2HD1 LEU 33 -5.042 -2.098 -0.155 217 HD13 LEU 33 3HD1 LEU 33 -3.494 -1.394 -0.524 218 HD21 LEU 33 3HD2 LEU 33 -5.276 -3.561 1.841 219 HD22 LEU 33 1HD2 LEU 33 -5.535 -1.939 2.508 220 HD23 LEU 33 2HD2 LEU 33 -4.422 -3.060 3.291 221 H GLY 34 H GLY 34 0.267 -4.618 0.817 222 HA2 GLY 34 1HA GLY 34 -0.630 -7.185 -0.235 223 HA3 GLY 34 2HA GLY 34 0.982 -6.479 -0.376 224 H GLU 35 H GLU 35 1.366 -6.048 2.469 225 HA GLU 35 HA GLU 35 2.532 -8.572 3.200 226 HB3 GLU 35 2HB GLU 35 3.346 -7.381 5.099 227 HG3 GLU 35 2HG GLU 35 3.109 -5.214 2.965 228 H TRP 36 H TRP 36 -0.483 -7.000 3.826 229 HA TRP 36 HA TRP 36 -1.426 -8.762 5.952 230 HB3 TRP 36 2HB TRP 36 -2.743 -6.846 4.025 231 HD1 TRP 36 HD TRP 36 -3.968 -8.964 7.038 232 HE1 TRP 36 1HE TRP 36 -6.445 -9.558 6.678 233 HE3 TRP 36 3HE TRP 36 -4.734 -6.717 2.482 234 HZ2 TRP 36 2HZ TRP 36 -8.512 -8.998 4.765 235 HZ3 TRP 36 3HZ TRP 36 -6.965 -6.798 1.413 236 HH2 TRP 36 HH TRP 36 -8.887 -7.893 2.570 237 H ALA 37 H ALA 37 -2.710 -8.568 2.576 238 HA ALA 37 HA ALA 37 -3.954 -11.022 2.666 239 HB1 ALA 37 1HB ALA 37 -4.077 -10.785 0.184 240 HB2 ALA 37 2HB ALA 37 -4.373 -9.224 0.981 241 HB3 ALA 37 3HB ALA 37 -2.787 -9.561 0.231 242 H ALA 38 H ALA 38 -0.518 -10.467 1.811 243 HA ALA 38 HA ALA 38 0.237 -12.851 0.651 244 HB1 ALA 38 1HB ALA 38 1.873 -11.132 1.220 245 HB2 ALA 38 2HB ALA 38 1.516 -11.300 2.955 246 HB3 ALA 38 3HB ALA 38 2.295 -12.621 2.077 247 H GLY 39 H GLY 39 -0.251 -12.344 4.194 248 HA2 GLY 39 1HA GLY 39 0.449 -14.966 4.993 249 HA3 GLY 39 2HA GLY 39 -0.545 -13.814 5.907 250 H LEU 40 H LEU 40 -2.793 -13.522 4.322 251 HA LEU 40 HA LEU 40 -4.440 -15.691 4.776 252 HB3 LEU 40 2HB LEU 40 -5.926 -14.529 3.107 253 HG LEU 40 HG LEU 40 -6.022 -13.749 5.380 254 HD11 LEU 40 1HD1 LEU 40 -3.896 -13.027 6.048 255 HD12 LEU 40 2HD1 LEU 40 -4.957 -11.633 6.116 256 HD13 LEU 40 3HD1 LEU 40 -3.853 -11.808 4.748 257 HD21 LEU 40 3HD2 LEU 40 -6.075 -11.375 3.484 258 HD22 LEU 40 1HD2 LEU 40 -7.046 -11.578 4.936 259 HD23 LEU 40 2HD2 LEU 40 -7.341 -12.626 3.565 260 H LEU 41 H LEU 41 -2.956 -14.670 1.606 261 HA LEU 41 HA LEU 41 -3.780 -16.828 0.061 262 HB3 LEU 41 2HB LEU 41 -1.397 -16.272 -1.019 263 HG LEU 41 HG LEU 41 -3.732 -15.708 -1.832 264 HD11 LEU 41 1HD1 LEU 41 -4.518 -13.476 -1.800 265 HD12 LEU 41 2HD1 LEU 41 -3.131 -12.923 -0.832 266 HD13 LEU 41 3HD1 LEU 41 -4.341 -14.050 -0.149 267 HD21 LEU 41 3HD2 LEU 41 -1.403 -13.802 -2.432 268 HD22 LEU 41 1HD2 LEU 41 -2.811 -14.066 -3.498 269 HD23 LEU 41 2HD2 LEU 41 -1.673 -15.377 -3.198 270 H GLY 42 H GLY 42 -0.989 -16.533 2.210 271 HA2 GLY 42 1HA GLY 42 -0.165 -18.554 3.381 272 HA3 GLY 42 2HA GLY 42 -0.436 -19.478 1.909 273 H LYS 43 H LYS 43 0.883 -16.217 1.809 274 HA LYS 43 HA LYS 43 3.560 -17.165 0.981 275 HB3 LYS 43 2HB LYS 43 3.764 -14.881 0.120 276 HG3 LYS 43 2HG LYS 43 1.041 -16.019 -0.726 277 HD3 LYS 43 2HD LYS 43 3.006 -14.087 -1.946 278 HE3 LYS 43 2HE LYS 43 1.603 -14.493 -4.098 279 HZ1 LYS 43 3HZ LYS 43 3.058 -16.668 -4.383 280 HZ2 LYS 43 1HZ LYS 43 3.866 -15.992 -3.103 281 HZ3 LYS 43 2HZ LYS 43 3.666 -15.133 -4.489 282 H THR 44 H THR 44 5.282 -16.658 2.371 283 HA THR 44 HA THR 44 4.802 -14.837 4.669 284 HB THR 44 HB THR 44 5.975 -16.552 6.081 285 HG1 THR 44 1HG THR 44 5.359 -18.303 3.907 286 HG21 THR 44 3HG2 THR 44 4.052 -17.948 6.529 287 HG22 THR 44 1HG2 THR 44 3.339 -17.574 4.945 288 HG23 THR 44 2HG2 THR 44 3.504 -16.303 6.174 289 H GLY 45 H GLY 45 6.875 -14.207 5.685 290 HA2 GLY 45 1HA GLY 45 9.015 -13.462 5.675 291 HA3 GLY 45 2HA GLY 45 9.440 -14.948 4.802 292 H ASP 46 H ASP 46 10.665 -14.351 3.063 293 HA ASP 46 HA ASP 46 10.344 -11.760 1.834 294 HB3 ASP 46 2HB ASP 46 11.932 -14.078 0.729 295 H ASP 47 H ASP 47 8.752 -14.854 1.208 296 HA ASP 47 HA ASP 47 8.019 -14.409 -1.539 297 HB3 ASP 47 2HB ASP 47 6.355 -15.852 0.404 298 H ALA 48 H ALA 48 6.539 -13.787 1.516 299 HA ALA 48 HA ALA 48 4.117 -12.379 0.693 300 HB1 ALA 48 1HB ALA 48 4.193 -11.452 3.043 301 HB2 ALA 48 2HB ALA 48 4.362 -13.212 3.007 302 HB3 ALA 48 3HB ALA 48 5.779 -12.190 3.275 303 H ARG 49 H ARG 49 7.389 -11.229 1.686 304 HA ARG 49 HA ARG 49 6.952 -8.487 1.309 305 HB3 ARG 49 2HB ARG 49 9.613 -9.642 0.553 306 HG3 ARG 49 2HG ARG 49 9.050 -8.048 3.014 307 HD3 ARG 49 2HD ARG 49 11.100 -6.863 2.386 308 HE ARG 49 HE ARG 49 12.087 -9.472 1.606 309 HH11 ARG 49 1HH1 ARG 49 10.641 -7.967 4.529 310 HH12 ARG 49 2HH1 ARG 49 11.743 -8.785 5.582 311 HH21 ARG 49 1HH2 ARG 49 13.609 -10.272 2.992 312 HH22 ARG 49 2HH2 ARG 49 13.416 -10.262 4.722 313 H ALA 50 H ALA 50 8.183 -10.895 -1.004 314 HA ALA 50 HA ALA 50 8.559 -9.177 -3.211 315 HB1 ALA 50 1HB ALA 50 9.727 -11.272 -2.997 316 HB2 ALA 50 2HB ALA 50 8.221 -12.180 -2.964 317 HB3 ALA 50 3HB ALA 50 8.715 -11.330 -4.440 318 H TYR 51 H TYR 51 5.705 -10.996 -2.088 319 HA TYR 51 HA TYR 51 4.058 -10.412 -4.398 320 HB3 TYR 51 2HB TYR 51 3.475 -11.258 -1.539 321 HD1 TYR 51 1HD TYR 51 1.842 -11.912 -4.881 322 HD2 TYR 51 2HD TYR 51 1.321 -10.520 -0.813 323 HE1 TYR 51 1HE TYR 51 -0.613 -11.863 -5.195 324 HE2 TYR 51 2HE TYR 51 -1.065 -10.575 -1.080 325 HH TYR 51 HH TYR 51 -2.729 -11.617 -4.132 326 H ALA 52 H ALA 52 4.603 -8.854 -1.209 327 HA ALA 52 HA ALA 52 2.719 -6.755 -1.583 328 HB1 ALA 52 1HB ALA 52 5.172 -6.796 0.217 329 HB2 ALA 52 2HB ALA 52 3.739 -5.764 0.388 330 HB3 ALA 52 3HB ALA 52 3.598 -7.521 0.618 331 H LEU 53 H LEU 53 5.277 -7.204 -3.558 332 HA LEU 53 HA LEU 53 6.103 -4.378 -3.805 333 HB3 LEU 53 2HB LEU 53 7.542 -5.141 -5.579 334 HG LEU 53 HG LEU 53 7.628 -7.319 -3.492 335 HD11 LEU 53 1HD1 LEU 53 10.024 -7.447 -4.071 336 HD12 LEU 53 2HD1 LEU 53 9.790 -6.178 -5.297 337 HD13 LEU 53 3HD1 LEU 53 8.996 -7.755 -5.476 338 HD21 LEU 53 3HD2 LEU 53 9.209 -6.035 -2.226 339 HD22 LEU 53 1HD2 LEU 53 7.689 -5.170 -2.317 340 HD23 LEU 53 2HD2 LEU 53 9.048 -4.644 -3.345 341 H THR 54 H THR 54 3.572 -6.444 -5.026 342 HA THR 54 HA THR 54 3.157 -4.598 -7.332 343 HB THR 54 HB THR 54 4.179 -6.856 -7.741 344 HG1 THR 54 1HG THR 54 3.343 -5.710 -9.384 345 HG21 THR 54 3HG2 THR 54 2.723 -8.789 -7.957 346 HG22 THR 54 1HG2 THR 54 1.371 -7.885 -7.237 347 HG23 THR 54 2HG2 THR 54 2.815 -8.267 -6.286 348 H VAL 55 H VAL 55 1.849 -5.255 -4.395 349 HA VAL 55 HA VAL 55 -0.937 -5.219 -4.918 350 HB VAL 55 HB VAL 55 -0.028 -5.780 -2.786 351 HG11 VAL 55 1HG1 VAL 55 2.011 -4.454 -2.710 352 HG12 VAL 55 2HG1 VAL 55 1.062 -2.966 -2.561 353 HG13 VAL 55 3HG1 VAL 55 1.044 -4.172 -1.270 354 HG21 VAL 55 3HG2 VAL 55 -1.447 -4.621 -1.306 355 HG22 VAL 55 1HG2 VAL 55 -1.521 -3.200 -2.355 356 HG23 VAL 55 2HG2 VAL 55 -2.275 -4.733 -2.854 357 H VAL 56 H VAL 56 1.475 -2.675 -5.270 358 HA VAL 56 HA VAL 56 -0.199 -0.460 -4.828 359 HB VAL 56 HB VAL 56 1.842 0.728 -5.825 360 HG11 VAL 56 1HG1 VAL 56 2.137 -1.033 -3.341 361 HG12 VAL 56 2HG1 VAL 56 3.142 0.379 -3.736 362 HG13 VAL 56 3HG1 VAL 56 1.424 0.593 -3.414 363 HG21 VAL 56 3HG2 VAL 56 3.111 -2.005 -5.393 364 HG22 VAL 56 1HG2 VAL 56 2.772 -1.300 -6.998 365 HG23 VAL 56 2HG2 VAL 56 3.912 -0.520 -5.897 366 H THR 57 H THR 57 -1.548 0.336 -6.037 367 HA THR 57 HA THR 57 -1.338 0.636 -8.924 368 HB THR 57 HB THR 57 -2.405 -1.387 -9.097 369 HG1 THR 57 1HG THR 57 -4.402 -0.953 -9.878 370 HG21 THR 57 3HG2 THR 57 -4.433 -2.152 -7.903 371 HG22 THR 57 1HG2 THR 57 -4.216 -0.831 -6.744 372 HG23 THR 57 2HG2 THR 57 -2.972 -2.076 -6.927 373 H SER 58 H SER 58 -4.242 0.882 -6.956 374 HA SER 58 HA SER 58 -4.001 3.546 -5.953 375 HB3 SER 58 2HB SER 58 -6.224 4.127 -7.204 376 HG SER 58 HG SER 58 -4.714 5.357 -7.933 377 H ASP 59 H ASP 59 -6.481 3.878 -5.085 378 HA ASP 59 HA ASP 59 -7.444 1.329 -3.953 379 HB3 ASP 59 2HB ASP 59 -6.936 2.446 -2.120 380 H PHE 60 H PHE 60 -10.045 1.863 -3.477 381 HA PHE 60 HA PHE 60 -11.249 2.941 -5.936 382 HB3 PHE 60 2HB PHE 60 -10.936 0.357 -6.086 383 HD1 PHE 60 1HD PHE 60 -10.955 -0.693 -3.647 384 HD2 PHE 60 2HD PHE 60 -14.482 0.615 -5.718 385 HE1 PHE 60 1HE PHE 60 -12.388 -2.219 -2.207 386 HE2 PHE 60 2HE PHE 60 -15.874 -0.940 -4.335 387 HZ PHE 60 HZ PHE 60 -14.807 -2.369 -2.645 388 H ASP 61 H ASP 61 -13.263 3.825 -5.579 389 HA ASP 61 HA ASP 61 -14.506 3.675 -2.922 390 HB3 ASP 61 2HB ASP 61 -13.511 6.364 -3.909 391 H GLU 62 H GLU 62 -14.769 4.319 -6.395 392 HA GLU 62 HA GLU 62 -17.632 4.579 -6.116 393 HB3 GLU 62 2HB GLU 62 -16.962 6.920 -5.770 394 HG3 GLU 62 2HG GLU 62 -16.147 8.060 -8.003 395 HA PRO 63 HA PRO 63 -17.558 2.161 -9.411 396 HB3 PRO 63 2HB PRO 63 -19.831 2.236 -9.016 397 HG3 PRO 63 2HG PRO 63 -21.061 4.272 -9.160 398 HD3 PRO 63 2HD PRO 63 -19.415 4.756 -7.588 399 H GLY 64 H GLY 64 -15.549 3.265 -10.274 400 HA2 GLY 64 1HA GLY 64 -15.763 2.689 -13.129 401 HA3 GLY 64 2HA GLY 64 -15.182 4.328 -12.815 402 H ASP 65 H ASP 65 -13.535 4.004 -10.608 403 HA ASP 65 HA ASP 65 -11.194 2.785 -11.804 404 HB3 ASP 65 2HB ASP 65 -10.024 3.723 -9.815 405 H GLU 66 H GLU 66 -13.491 1.135 -10.620 406 HA GLU 66 HA GLU 66 -12.394 -0.600 -8.587 407 HB3 GLU 66 2HB GLU 66 -14.151 -2.205 -9.729 408 HG3 GLU 66 2HG GLU 66 -15.092 0.379 -8.416 409 H ASP 67 H ASP 67 -10.216 -0.604 -9.498 410 HA ASP 67 HA ASP 67 -9.863 -2.944 -11.315 411 HB3 ASP 67 2HB ASP 67 -7.634 -1.450 -11.856 412 H VAL 68 H VAL 68 -9.222 -1.722 -8.242 413 HA VAL 68 HA VAL 68 -6.724 -3.279 -7.875 414 HB VAL 68 HB VAL 68 -6.668 -1.111 -6.952 415 HG11 VAL 68 1HG1 VAL 68 -8.070 -0.223 -5.237 416 HG12 VAL 68 2HG1 VAL 68 -9.072 -0.646 -6.611 417 HG13 VAL 68 3HG1 VAL 68 -9.070 -1.681 -5.164 418 HG21 VAL 68 3HG2 VAL 68 -6.074 -1.587 -4.637 419 HG22 VAL 68 1HG2 VAL 68 -7.004 -3.099 -4.656 420 HG23 VAL 68 2HG2 VAL 68 -5.560 -2.923 -5.677 421 H PHE 69 H PHE 69 -9.912 -3.040 -6.217 422 HA PHE 69 HA PHE 69 -9.874 -5.515 -4.879 423 HB3 PHE 69 2HB PHE 69 -11.964 -3.544 -5.772 424 HD1 PHE 69 2HD PHE 69 -13.269 -5.575 -7.091 425 HD2 PHE 69 1HD PHE 69 -12.976 -5.031 -2.810 426 HE1 PHE 69 2HE PHE 69 -15.301 -6.911 -6.782 427 HE2 PHE 69 1HE PHE 69 -15.057 -6.308 -2.524 428 HZ PHE 69 HZ PHE 69 -16.197 -7.317 -4.529 429 H ARG 70 H ARG 70 -10.728 -4.714 -8.178 430 HA ARG 70 HA ARG 70 -12.136 -6.772 -9.078 431 HB3 ARG 70 2HB ARG 70 -10.994 -4.653 -10.262 432 HG3 ARG 70 2HG ARG 70 -9.526 -6.990 -11.545 433 HD3 ARG 70 2HD ARG 70 -8.677 -4.388 -12.403 434 HE ARG 70 HE ARG 70 -8.408 -5.653 -14.197 435 HH11 ARG 70 1HH1 ARG 70 -11.746 -6.287 -13.075 436 HH12 ARG 70 2HH1 ARG 70 -12.243 -6.938 -14.572 437 HH21 ARG 70 1HH2 ARG 70 -9.044 -6.537 -16.087 438 HH22 ARG 70 2HH2 ARG 70 -10.593 -7.308 -16.296 439 H LYS 71 H LYS 71 -8.714 -7.112 -8.419 440 HA LYS 71 HA LYS 71 -8.971 -10.006 -9.164 441 HB3 LYS 71 2HB LYS 71 -6.524 -10.058 -9.243 442 HG3 LYS 71 2HG LYS 71 -6.075 -8.843 -11.215 443 HD3 LYS 71 2HD LYS 71 -9.091 -9.295 -11.351 444 HE3 LYS 71 2HE LYS 71 -6.942 -8.880 -13.281 445 HZ1 LYS 71 3HZ LYS 71 -8.641 -11.278 -13.504 446 HZ2 LYS 71 1HZ LYS 71 -7.019 -11.280 -13.358 447 HZ3 LYS 71 2HZ LYS 71 -7.719 -10.699 -14.731 448 H LEU 72 H LEU 72 -8.170 -7.717 -6.551 449 HA LEU 72 HA LEU 72 -7.033 -9.476 -4.764 450 HB3 LEU 72 2HB LEU 72 -9.013 -7.513 -3.668 451 HG LEU 72 HG LEU 72 -5.999 -7.530 -3.336 452 HD11 LEU 72 1HD1 LEU 72 -8.242 -6.672 -1.454 453 HD12 LEU 72 2HD1 LEU 72 -7.430 -5.572 -2.596 454 HD13 LEU 72 3HD1 LEU 72 -6.509 -6.333 -1.281 455 HD21 LEU 72 3HD2 LEU 72 -6.595 -9.756 -2.637 456 HD22 LEU 72 1HD2 LEU 72 -7.955 -9.147 -1.679 457 HD23 LEU 72 2HD2 LEU 72 -6.264 -8.775 -1.204 458 H ALA 73 H ALA 73 -10.546 -8.829 -5.321 459 HA ALA 73 HA ALA 73 -11.538 -10.434 -3.243 460 HB1 ALA 73 1HB ALA 73 -12.788 -9.891 -5.976 461 HB2 ALA 73 2HB ALA 73 -13.635 -10.462 -4.521 462 HB3 ALA 73 3HB ALA 73 -12.914 -8.844 -4.539 463 H ALA 74 H ALA 74 -10.406 -11.412 -6.463 464 HA ALA 74 HA ALA 74 -11.425 -14.153 -6.228 465 HB1 ALA 74 1HB ALA 74 -9.577 -12.845 -8.280 466 HB2 ALA 74 2HB ALA 74 -10.343 -14.439 -8.408 467 HB3 ALA 74 3HB ALA 74 -11.355 -12.979 -8.405 468 H ASP 75 H ASP 75 -8.248 -12.461 -6.076 469 HA ASP 75 HA ASP 75 -6.595 -14.749 -5.757 470 HB3 ASP 75 2HB ASP 75 -5.804 -12.298 -4.244 471 H LEU 76 H LEU 76 -8.430 -12.776 -3.544 472 HA LEU 76 HA LEU 76 -7.684 -14.316 -1.160 473 HB3 LEU 76 2HB LEU 76 -9.350 -11.777 -1.211 474 HG LEU 76 HG LEU 76 -8.703 -12.705 1.034 475 HD11 LEU 76 1HD1 LEU 76 -6.152 -12.394 1.536 476 HD12 LEU 76 2HD1 LEU 76 -5.938 -12.389 -0.207 477 HD13 LEU 76 3HD1 LEU 76 -6.596 -13.826 0.594 478 HD21 LEU 76 3HD2 LEU 76 -8.859 -10.184 0.529 479 HD22 LEU 76 1HD2 LEU 76 -7.087 -10.188 0.486 480 HD23 LEU 76 2HD2 LEU 76 -7.945 -10.658 1.968 481 H GLU 77 H GLU 77 -9.678 -15.201 -3.326 482 HA GLU 77 HA GLU 77 -12.328 -14.991 -2.586 483 HB3 GLU 77 2HB GLU 77 -10.712 -17.142 -3.953 484 HG3 GLU 77 2HG GLU 77 -13.752 -17.080 -3.650 485 H GLY 78 H GLY 78 -13.241 -15.395 -0.719 486 HA2 GLY 78 1HA GLY 78 -14.201 -16.788 0.858 487 HA3 GLY 78 2HA GLY 78 -12.965 -18.010 0.542 488 H LYS 79 H LYS 79 -11.247 -15.214 0.920 489 HA LYS 79 HA LYS 79 -10.743 -15.643 3.833 490 HB3 LYS 79 2HB LYS 79 -8.376 -15.144 3.333 491 HG3 LYS 79 2HG LYS 79 -9.799 -17.435 2.378 492 HD3 LYS 79 2HD LYS 79 -8.878 -16.475 0.066 493 HE3 LYS 79 2HE LYS 79 -6.451 -17.570 1.411 494 HZ1 LYS 79 3HZ LYS 79 -7.453 -18.560 -1.164 495 HZ2 LYS 79 1HZ LYS 79 -6.702 -19.373 0.052 496 HZ3 LYS 79 2HZ LYS 79 -5.832 -18.373 -0.943 497 H ALA 80 H ALA 80 -12.281 -13.516 1.996 498 HA ALA 80 HA ALA 80 -11.810 -11.301 3.769 499 HB1 ALA 80 1HB ALA 80 -12.045 -9.928 1.396 500 HB2 ALA 80 2HB ALA 80 -10.499 -10.218 2.211 501 HB3 ALA 80 3HB ALA 80 -11.025 -11.264 0.865 502 H ASP 81 H ASP 81 -13.583 -9.637 3.095 503 HA ASP 81 HA ASP 81 -15.934 -10.903 1.863 504 HB3 ASP 81 2HB ASP 81 -17.455 -9.859 3.243 505 H GLU 82 H GLU 82 -17.150 -9.177 0.713 506 HA GLU 82 HA GLU 82 -15.629 -7.303 -0.712 507 HB3 GLU 82 2HB GLU 82 -17.967 -6.199 -1.033 508 HG3 GLU 82 2HG GLU 82 -17.591 -9.152 -1.691 509 H GLU 83 H GLU 83 -17.805 -6.771 2.121 510 HA GLU 83 HA GLU 83 -17.307 -3.988 2.217 511 HB3 GLU 83 2HB GLU 83 -18.148 -5.477 4.661 512 HG3 GLU 83 2HG GLU 83 -18.218 -2.848 4.195 513 H THR 84 H THR 84 -15.434 -6.681 3.279 514 HA THR 84 HA THR 84 -13.928 -5.180 5.298 515 HB THR 84 HB THR 84 -13.984 -8.063 4.345 516 HG1 THR 84 1HG THR 84 -15.609 -7.451 5.775 517 HG21 THR 84 3HG2 THR 84 -11.648 -7.629 4.909 518 HG22 THR 84 1HG2 THR 84 -12.418 -8.610 6.150 519 HG23 THR 84 2HG2 THR 84 -12.113 -6.865 6.442 520 H ILE 85 H ILE 85 -13.316 -6.542 1.930 521 HA ILE 85 HA ILE 85 -10.636 -5.601 1.803 522 HB ILE 85 HB ILE 85 -12.708 -5.704 -0.431 523 HG13 ILE 85 2HG1 ILE 85 -12.115 -7.885 0.690 524 HG21 ILE 85 1HG2 ILE 85 -10.687 -5.649 -1.963 525 HG22 ILE 85 2HG2 ILE 85 -10.981 -4.151 -1.107 526 HG23 ILE 85 3HG2 ILE 85 -9.702 -5.215 -0.540 527 HD11 ILE 85 3HD1 ILE 85 -12.583 -7.859 -1.776 528 HD12 ILE 85 1HD1 ILE 85 -10.826 -7.864 -2.053 529 HD13 ILE 85 2HD1 ILE 85 -11.588 -9.214 -1.205 530 H ARG 86 H ARG 86 -13.705 -3.913 0.886 531 HA ARG 86 HA ARG 86 -12.400 -1.426 0.315 532 HB3 ARG 86 2HB ARG 86 -14.724 -2.175 -0.392 533 HG3 ARG 86 2HG ARG 86 -15.177 -1.805 2.516 534 HD3 ARG 86 2HD ARG 86 -17.189 -0.470 0.735 535 HE ARG 86 HE ARG 86 -17.274 -1.294 3.313 536 HH11 ARG 86 1HH1 ARG 86 -17.563 1.851 1.807 537 HH12 ARG 86 2HH1 ARG 86 -18.113 2.716 3.203 538 HH21 ARG 86 1HH2 ARG 86 -17.955 -0.231 5.245 539 HH22 ARG 86 2HH2 ARG 86 -18.170 1.492 5.298 540 H ALA 87 H ALA 87 -12.708 -2.950 3.322 541 HA ALA 87 HA ALA 87 -12.394 -0.387 4.707 542 HB1 ALA 87 1HB ALA 87 -13.489 -1.384 6.691 543 HB2 ALA 87 2HB ALA 87 -14.592 -1.373 5.299 544 HB3 ALA 87 3HB ALA 87 -13.782 -2.880 5.800 545 H LYS 88 H LYS 88 -10.376 -1.938 3.403 546 HA LYS 88 HA LYS 88 -8.761 -2.568 5.820 547 HB3 LYS 88 2HB LYS 88 -7.580 -3.605 3.344 548 HG3 LYS 88 2HG LYS 88 -7.030 -4.150 5.769 549 HD3 LYS 88 2HD LYS 88 -8.919 -6.424 5.759 550 HE3 LYS 88 2HE LYS 88 -7.353 -5.657 7.636 551 HZ1 LYS 88 3HZ LYS 88 -8.018 -3.311 7.624 552 HZ2 LYS 88 1HZ LYS 88 -8.238 -3.959 9.085 553 HZ3 LYS 88 2HZ LYS 88 -9.543 -3.723 8.150 554 H MET 89 H MET 89 -8.818 -0.890 2.663 555 HA MET 89 HA MET 89 -6.117 0.026 2.831 556 HB3 MET 89 2HB MET 89 -6.607 1.398 0.977 557 HG3 MET 89 2HG MET 89 -6.832 -1.199 0.649 558 HE1 MET 89 3HE MET 89 -9.894 -2.230 -1.896 559 HE2 MET 89 1HE MET 89 -8.754 -0.920 -2.247 560 HE3 MET 89 2HE MET 89 -8.148 -2.483 -1.661 561 H VAL 90 H VAL 90 -9.186 1.528 3.839 562 HA VAL 90 HA VAL 90 -8.015 4.017 4.683 563 HB VAL 90 HB VAL 90 -10.724 2.762 5.464 564 HG11 VAL 90 1HG1 VAL 90 -11.372 5.131 5.918 565 HG12 VAL 90 2HG1 VAL 90 -10.069 4.615 6.984 566 HG13 VAL 90 3HG1 VAL 90 -9.699 5.647 5.591 567 HG21 VAL 90 3HG2 VAL 90 -9.913 4.494 3.120 568 HG22 VAL 90 1HG2 VAL 90 -10.867 2.981 3.177 569 HG23 VAL 90 2HG2 VAL 90 -11.577 4.453 3.754 570 H GLU 91 H GLU 91 -8.487 0.909 6.365 571 HA GLU 91 HA GLU 91 -8.497 1.834 8.967 572 HB3 GLU 91 2HB GLU 91 -7.170 -0.692 9.047 573 HG3 GLU 91 2HG GLU 91 -10.013 -1.100 8.878 574 H LEU 92 H LEU 92 -5.683 0.468 7.301 575 HA LEU 92 HA LEU 92 -3.845 1.472 9.338 576 HB3 LEU 92 2HB LEU 92 -3.534 -0.722 8.419 577 HG LEU 92 HG LEU 92 -4.002 0.494 5.832 578 HD11 LEU 92 1HD1 LEU 92 -2.057 -0.347 4.577 579 HD12 LEU 92 2HD1 LEU 92 -1.265 -0.797 6.107 580 HD13 LEU 92 3HD1 LEU 92 -1.592 0.916 5.736 581 HD21 LEU 92 3HD2 LEU 92 -4.834 -1.717 6.628 582 HD22 LEU 92 1HD2 LEU 92 -3.185 -2.362 6.538 583 HD23 LEU 92 2HD2 LEU 92 -4.022 -1.811 5.069 584 H ARG 93 H ARG 93 -5.418 3.355 7.344 585 HA ARG 93 HA ARG 93 -3.621 4.845 5.777 586 HB3 ARG 93 2HB ARG 93 -5.964 5.703 7.502 587 HG3 ARG 93 2HG ARG 93 -4.473 7.321 5.427 588 HD3 ARG 93 2HD ARG 93 -6.516 8.930 6.217 589 HE ARG 93 HE ARG 93 -5.779 8.018 3.847 590 HH11 ARG 93 1HH1 ARG 93 -9.152 7.967 5.097 591 HH12 ARG 93 2HH1 ARG 93 -9.771 7.766 3.478 592 HH21 ARG 93 1HH2 ARG 93 -6.719 8.075 1.824 593 HH22 ARG 93 2HH2 ARG 93 -8.446 7.881 1.684 594 H ALA 94 H ALA 94 -4.194 5.018 9.310 595 HA ALA 94 HA ALA 94 -2.319 7.108 9.838 596 HB1 ALA 94 1HB ALA 94 -3.317 4.843 11.606 597 HB2 ALA 94 2HB ALA 94 -2.391 6.245 12.169 598 HB3 ALA 94 3HB ALA 94 -4.017 6.469 11.472 599 H THR 95 H THR 95 -1.920 3.496 10.279 600 HA THR 95 HA THR 95 0.703 3.490 10.988 601 HB THR 95 HB THR 95 -0.595 1.394 9.207 602 HG1 THR 95 1HG THR 95 -1.413 0.573 11.201 603 HG21 THR 95 3HG2 THR 95 1.701 0.841 9.729 604 HG22 THR 95 1HG2 THR 95 0.662 -0.173 10.735 605 HG23 THR 95 2HG2 THR 95 1.453 1.243 11.452 606 H ALA 96 H ALA 96 -0.532 3.255 7.587 607 HA ALA 96 HA ALA 96 2.023 3.000 6.395 608 HB1 ALA 96 1HB ALA 96 -0.580 4.126 5.280 609 HB2 ALA 96 2HB ALA 96 0.840 3.660 4.318 610 HB3 ALA 96 3HB ALA 96 -0.054 2.423 5.223 611 H ARG 97 H ARG 97 0.485 5.928 7.656 612 HA ARG 97 HA ARG 97 2.419 7.631 6.258 613 HB3 ARG 97 2HB ARG 97 0.127 8.052 8.203 614 HG3 ARG 97 2HG ARG 97 1.828 9.419 9.155 615 HD3 ARG 97 2HD ARG 97 2.854 9.830 6.530 616 HE ARG 97 HE ARG 97 2.656 12.511 7.486 617 HH11 ARG 97 1HH1 ARG 97 0.884 10.281 5.321 618 HH12 ARG 97 2HH1 ARG 97 -0.013 11.580 4.594 619 HH21 ARG 97 1HH2 ARG 97 1.393 14.155 6.465 620 HH22 ARG 97 2HH2 ARG 97 0.261 13.709 5.226 621 H GLU 98 H GLU 98 1.605 6.714 9.677 622 HA GLU 98 HA GLU 98 3.655 7.895 10.993 623 HB3 GLU 98 2HB GLU 98 3.187 5.856 12.573 624 HG3 GLU 98 2HG GLU 98 0.714 7.026 12.673 625 H GLN 99 H GLN 99 3.792 4.503 9.701 626 HA GLN 99 HA GLN 99 6.182 3.846 10.937 627 HB3 GLN 99 2HB GLN 99 6.617 2.240 9.140 628 HG3 GLN 99 2HG GLN 99 3.661 2.050 9.611 629 HE21 GLN 99 1HE2 GLN 99 4.383 -0.234 11.483 630 HE22 GLN 99 2HE2 GLN 99 4.808 -1.517 10.371 631 H ILE 100 H ILE 100 5.861 5.846 7.983 632 HA ILE 100 HA ILE 100 8.556 5.650 7.140 633 HB ILE 100 HB ILE 100 6.704 8.043 6.965 634 HG13 ILE 100 2HG1 ILE 100 5.866 7.262 4.872 635 HG21 ILE 100 1HG2 ILE 100 8.836 8.832 6.333 636 HG22 ILE 100 2HG2 ILE 100 9.289 7.309 5.542 637 HG23 ILE 100 3HG2 ILE 100 8.112 8.382 4.771 638 HD11 ILE 100 3HD1 ILE 100 7.392 6.196 3.558 639 HD12 ILE 100 1HD1 ILE 100 8.150 5.362 4.937 640 HD13 ILE 100 2HD1 ILE 100 6.639 4.744 4.301 641 H ILE 101 H ILE 101 7.051 8.137 9.304 642 HA ILE 101 HA ILE 101 9.521 9.484 9.862 643 HB ILE 101 HB ILE 101 6.775 9.460 11.199 644 HG13 ILE 101 2HG1 ILE 101 7.011 10.484 8.877 645 HG21 ILE 101 1HG2 ILE 101 9.139 11.293 11.843 646 HG22 ILE 101 2HG2 ILE 101 7.486 11.465 12.480 647 HG23 ILE 101 3HG2 ILE 101 8.434 10.071 12.934 648 HD11 ILE 101 3HD1 ILE 101 5.413 11.489 10.643 649 HD12 ILE 101 1HD1 ILE 101 6.643 12.762 10.841 650 HD13 ILE 101 2HD1 ILE 101 5.870 12.514 9.273 651 H SER 102 H SER 102 8.207 6.417 10.973 652 HA SER 102 HA SER 102 9.964 6.321 13.315 653 HB3 SER 102 2HB SER 102 8.228 4.079 12.871 654 HG SER 102 HG SER 102 8.617 4.860 14.960 655 H GLU 103 H GLU 103 10.346 5.682 10.079 656 HA GLU 103 HA GLU 103 11.973 3.211 10.496 657 HB3 GLU 103 2HB GLU 103 11.559 3.085 7.896 658 HG3 GLU 103 2HG GLU 103 9.180 2.381 9.631 659 H ILE 104 H ILE 104 12.528 6.270 10.556 660 HA ILE 104 HA ILE 104 13.969 7.275 8.474 661 HB ILE 104 HB ILE 104 14.135 7.667 11.461 662 HG13 ILE 104 2HG1 ILE 104 12.130 8.380 10.203 663 HG21 ILE 104 1HG2 ILE 104 15.650 9.396 9.510 664 HG22 ILE 104 2HG2 ILE 104 15.547 9.614 11.262 665 HG23 ILE 104 3HG2 ILE 104 16.416 8.243 10.601 666 HD11 ILE 104 3HD1 ILE 104 13.648 10.922 10.861 667 HD12 ILE 104 1HD1 ILE 104 11.901 10.636 10.884 668 HD13 ILE 104 2HD1 ILE 104 12.929 9.868 12.107 Start of MODEL 19 1 H1 MET 1 H MET 1 12.335 17.234 -7.738 2 HA MET 1 HA MET 1 11.221 15.524 -8.990 3 HB3 MET 1 2HB MET 1 10.408 17.797 -9.305 4 HG3 MET 1 2HG MET 1 12.300 17.882 -11.704 5 HE1 MET 1 3HE MET 1 9.367 19.356 -13.629 6 HE2 MET 1 1HE MET 1 10.989 18.658 -13.836 7 HE3 MET 1 2HE MET 1 9.763 17.799 -12.879 8 H THR 2 H THR 2 14.392 15.277 -9.640 9 HA THR 2 HA THR 2 13.955 13.635 -12.010 10 HB THR 2 HB THR 2 16.242 14.703 -12.806 11 HG1 THR 2 1HG THR 2 16.001 17.052 -12.473 12 HG21 THR 2 3HG2 THR 2 13.717 16.354 -13.238 13 HG22 THR 2 1HG2 THR 2 14.017 14.809 -14.041 14 HG23 THR 2 2HG2 THR 2 15.105 16.162 -14.330 15 H THR 3 H THR 3 15.982 12.160 -12.263 16 HA THR 3 HA THR 3 16.487 11.091 -9.688 17 HB THR 3 HB THR 3 17.942 10.045 -12.082 18 HG1 THR 3 1HG THR 3 15.901 9.133 -12.786 19 HG21 THR 3 3HG2 THR 3 17.810 8.810 -9.898 20 HG22 THR 3 1HG2 THR 3 17.091 7.905 -11.225 21 HG23 THR 3 2HG2 THR 3 16.044 8.746 -10.062 22 H PHE 4 H PHE 4 17.970 13.781 -10.427 23 HA PHE 4 HA PHE 4 20.721 13.080 -10.732 24 HB3 PHE 4 2HB PHE 4 21.144 15.475 -10.059 25 HD1 PHE 4 1HD PHE 4 21.751 14.206 -12.440 26 HD2 PHE 4 2HD PHE 4 18.410 16.802 -11.649 27 HE1 PHE 4 1HE PHE 4 21.635 14.783 -14.836 28 HE2 PHE 4 2HE PHE 4 18.292 17.373 -14.066 29 HZ PHE 4 HZ PHE 4 19.923 16.388 -15.654 30 H ASP 5 H ASP 5 19.101 14.393 -7.742 31 HA ASP 5 HA ASP 5 21.535 13.928 -6.267 32 HB3 ASP 5 2HB ASP 5 19.071 14.168 -4.607 33 H ASP 6 H ASP 6 18.369 12.408 -6.102 34 HA ASP 6 HA ASP 6 17.516 10.465 -5.417 35 HB3 ASP 6 2HB ASP 6 19.908 9.335 -6.884 36 H ARG 7 H ARG 7 17.548 10.541 -3.179 37 HA ARG 7 HA ARG 7 19.792 9.238 -1.749 38 HB3 ARG 7 2HB ARG 7 19.736 11.162 -0.101 39 HG3 ARG 7 2HG ARG 7 20.784 12.952 -1.448 40 HD3 ARG 7 2HD ARG 7 21.699 10.102 -1.766 41 HE ARG 7 HE ARG 7 22.147 11.376 -3.870 42 HH11 ARG 7 1HH1 ARG 7 24.332 11.803 -1.135 43 HH12 ARG 7 2HH1 ARG 7 25.741 12.061 -2.061 44 HH21 ARG 7 1HH2 ARG 7 23.873 11.877 -5.129 45 HH22 ARG 7 2HH2 ARG 7 25.455 12.251 -4.500 46 H GLU 8 H GLU 8 18.981 7.784 -0.402 47 HA GLU 8 HA GLU 8 16.193 7.997 0.536 48 HB3 GLU 8 2HB GLU 8 16.907 5.608 1.349 49 HG3 GLU 8 2HG GLU 8 15.416 5.515 -0.359 50 H ARG 9 H ARG 9 19.363 8.575 1.781 51 HA ARG 9 HA ARG 9 18.520 8.107 4.600 52 HB3 ARG 9 2HB ARG 9 20.853 8.662 5.199 53 HG3 ARG 9 2HG ARG 9 20.038 6.275 4.216 54 HD3 ARG 9 2HD ARG 9 21.018 6.928 1.959 55 HE ARG 9 HE ARG 9 23.567 6.716 3.516 56 HH11 ARG 9 1HH1 ARG 9 22.059 7.264 0.330 57 HH12 ARG 9 2HH1 ARG 9 23.466 7.984 -0.365 58 HH21 ARG 9 1HH2 ARG 9 25.452 7.708 2.567 59 HH22 ARG 9 2HH2 ARG 9 25.446 8.069 0.882 60 H ALA 10 H ALA 10 19.455 9.944 6.089 61 HA ALA 10 HA ALA 10 19.271 11.975 6.942 62 HB1 ALA 10 1HB ALA 10 20.140 13.857 5.699 63 HB2 ALA 10 2HB ALA 10 21.119 12.415 5.374 64 HB3 ALA 10 3HB ALA 10 19.934 12.988 4.164 65 H HIS 11 H HIS 11 16.828 10.774 6.180 66 HA HIS 11 HA HIS 11 15.035 12.618 4.986 67 HB3 HIS 11 2HB HIS 11 14.600 10.233 5.267 68 HD1 HIS 11 1HD HIS 11 12.445 9.090 7.294 69 HD2 HIS 11 2HD HIS 11 16.016 10.995 8.477 70 HE1 HIS 11 1HE HIS 11 12.827 8.491 9.761 71 H GLU 12 H GLU 12 16.718 13.376 7.602 72 HA GLU 12 HA GLU 12 14.905 13.935 9.674 73 HB3 GLU 12 2HB GLU 12 17.206 13.375 10.002 74 HG3 GLU 12 2HG GLU 12 18.029 16.116 9.067 75 H ALA 13 H ALA 13 13.310 15.362 9.521 76 HA ALA 13 HA ALA 13 11.922 16.921 8.868 77 HB1 ALA 13 1HB ALA 13 12.640 19.236 8.881 78 HB2 ALA 13 2HB ALA 13 13.431 18.325 10.190 79 HB3 ALA 13 3HB ALA 13 14.341 18.746 8.718 80 H LYS 14 H LYS 14 14.166 15.886 6.622 81 HA LYS 14 HA LYS 14 13.741 17.557 4.390 82 HB3 LYS 14 2HB LYS 14 14.298 15.136 3.239 83 HG3 LYS 14 2HG LYS 14 16.470 16.527 4.828 84 HD3 LYS 14 2HD LYS 14 16.318 15.417 1.994 85 HE3 LYS 14 2HE LYS 14 18.613 16.874 3.377 86 HZ1 LYS 14 3HZ LYS 14 19.460 16.896 1.076 87 HZ2 LYS 14 1HZ LYS 14 18.300 15.871 0.604 88 HZ3 LYS 14 2HZ LYS 14 19.451 15.386 1.665 89 H PHE 15 H PHE 15 11.552 15.133 5.642 90 HA PHE 15 HA PHE 15 10.253 14.300 3.346 91 HB3 PHE 15 2HB PHE 15 8.287 14.728 5.420 92 HD1 PHE 15 2HD PHE 15 11.043 12.186 5.181 93 HD2 PHE 15 1HD PHE 15 6.868 13.061 4.562 94 HE1 PHE 15 2HE PHE 15 10.612 9.803 4.628 95 HE2 PHE 15 1HE PHE 15 6.451 10.691 3.948 96 HZ PHE 15 HZ PHE 15 8.314 9.059 3.993 97 H ALA 16 H ALA 16 9.943 17.473 4.851 98 HA ALA 16 HA ALA 16 7.600 18.138 3.163 99 HB1 ALA 16 1HB ALA 16 7.403 20.078 4.611 100 HB2 ALA 16 2HB ALA 16 7.531 18.613 5.587 101 HB3 ALA 16 3HB ALA 16 8.942 19.675 5.402 102 H HIS 17 H HIS 17 10.870 18.128 2.546 103 HA HIS 17 HA HIS 17 10.921 20.753 1.151 104 HB3 HIS 17 2HB HIS 17 13.483 20.302 1.736 105 HD1 HIS 17 1HD HIS 17 14.457 22.355 3.050 106 HD2 HIS 17 2HD HIS 17 10.383 21.546 3.830 107 HE1 HIS 17 1HE HIS 17 13.588 24.293 4.403 108 H ASP 18 H ASP 18 12.590 17.561 1.376 109 HA ASP 18 HA ASP 18 13.136 17.517 -1.532 110 HB3 ASP 18 2HB ASP 18 14.129 15.250 -0.867 111 H ALA 19 H ALA 19 11.536 16.782 -2.689 112 HA ALA 19 HA ALA 19 9.188 15.580 -1.490 113 HB1 ALA 19 1HB ALA 19 9.079 17.040 -3.514 114 HB2 ALA 19 2HB ALA 19 9.837 15.712 -4.446 115 HB3 ALA 19 3HB ALA 19 8.260 15.476 -3.678 116 H GLU 20 H GLU 20 11.920 14.289 -3.376 117 HA GLU 20 HA GLU 20 10.959 11.816 -4.091 118 HB3 GLU 20 2HB GLU 20 13.169 10.998 -4.296 119 HG3 GLU 20 2HG GLU 20 12.719 13.061 -5.738 120 H LEU 21 H LEU 21 12.325 12.655 -0.909 121 HA LEU 21 HA LEU 21 12.328 10.009 0.198 122 HB3 LEU 21 2HB LEU 21 12.234 11.376 2.410 123 HG LEU 21 HG LEU 21 14.458 11.728 0.350 124 HD11 LEU 21 1HD1 LEU 21 14.703 13.611 1.679 125 HD12 LEU 21 2HD1 LEU 21 15.750 12.445 2.507 126 HD13 LEU 21 3HD1 LEU 21 14.123 12.796 3.146 127 HD21 LEU 21 3HD2 LEU 21 14.228 10.039 2.890 128 HD22 LEU 21 1HD2 LEU 21 15.672 10.183 1.869 129 HD23 LEU 21 2HD2 LEU 21 14.216 9.433 1.219 130 H ASN 22 H ASN 22 9.845 12.447 -0.150 131 HA ASN 22 HA ASN 22 7.887 11.104 1.585 132 HB3 ASN 22 2HB ASN 22 7.381 13.432 -0.303 133 HD21 ASN 22 1HD2 ASN 22 6.858 14.788 2.412 134 HD22 ASN 22 2HD2 ASN 22 5.240 14.254 2.856 135 H PHE 23 H PHE 23 8.672 11.525 -1.856 136 HA PHE 23 HA PHE 23 6.291 10.984 -3.069 137 HB3 PHE 23 2HB PHE 23 8.902 9.918 -4.204 138 HD1 PHE 23 1HD PHE 23 6.339 8.861 -5.341 139 HD2 PHE 23 2HD PHE 23 8.413 12.577 -6.097 140 HE1 PHE 23 1HE PHE 23 5.227 9.039 -7.522 141 HE2 PHE 23 2HE PHE 23 7.323 12.708 -8.324 142 HZ PHE 23 HZ PHE 23 5.709 10.951 -9.030 143 H LYS 24 H LYS 24 8.777 8.564 -2.223 144 HA LYS 24 HA LYS 24 7.394 6.228 -2.955 145 HB3 LYS 24 2HB LYS 24 9.745 6.302 -2.298 146 HG3 LYS 24 2HG LYS 24 8.856 6.290 0.608 147 HD3 LYS 24 2HD LYS 24 11.111 5.342 -0.144 148 HE3 LYS 24 2HE LYS 24 11.704 8.318 -0.408 149 HZ1 LYS 24 3HZ LYS 24 13.924 7.407 -1.045 150 HZ2 LYS 24 1HZ LYS 24 13.422 5.930 -0.643 151 HZ3 LYS 24 2HZ LYS 24 13.548 7.041 0.537 152 H ALA 25 H ALA 25 7.089 8.077 0.076 153 HA ALA 25 HA ALA 25 5.334 6.186 1.371 154 HB1 ALA 25 1HB ALA 25 6.739 7.759 2.666 155 HB2 ALA 25 2HB ALA 25 5.883 9.138 1.955 156 HB3 ALA 25 3HB ALA 25 5.015 8.013 2.981 157 H GLU 26 H GLU 26 4.901 9.159 -0.570 158 HA GLU 26 HA GLU 26 2.061 9.293 -0.344 159 HB3 GLU 26 2HB GLU 26 3.886 10.391 -2.537 160 HG3 GLU 26 2HG GLU 26 1.455 10.788 -2.925 161 H ALA 27 H ALA 27 4.164 7.275 -2.186 162 HA ALA 27 HA ALA 27 2.061 6.477 -4.113 163 HB1 ALA 27 1HB ALA 27 5.084 6.463 -4.398 164 HB2 ALA 27 2HB ALA 27 3.911 6.094 -5.661 165 HB3 ALA 27 3HB ALA 27 4.004 7.736 -5.012 166 H ARG 28 H ARG 28 2.582 5.142 -1.385 167 HA ARG 28 HA ARG 28 2.722 2.437 -2.549 168 HB3 ARG 28 2HB ARG 28 4.974 2.989 -1.929 169 HG3 ARG 28 2HG ARG 28 4.397 3.959 0.486 170 HD3 ARG 28 2HD ARG 28 4.495 0.952 0.790 171 HE ARG 28 HE ARG 28 5.507 2.735 2.954 172 HH11 ARG 28 1HH1 ARG 28 6.354 0.036 0.768 173 HH12 ARG 28 2HH1 ARG 28 7.290 -0.772 1.997 174 HH21 ARG 28 1HH2 ARG 28 7.202 1.771 4.352 175 HH22 ARG 28 2HH2 ARG 28 7.799 0.229 3.892 176 H ARG 29 H ARG 29 0.688 4.330 -1.005 177 HA ARG 29 HA ARG 29 -0.271 2.837 1.162 178 HB3 ARG 29 2HB ARG 29 -1.083 5.080 0.777 179 HG3 ARG 29 2HG ARG 29 -2.014 3.970 -1.895 180 HD3 ARG 29 2HD ARG 29 -3.463 6.088 -0.282 181 HE ARG 29 HE ARG 29 -3.787 5.532 -3.201 182 HH11 ARG 29 1HH1 ARG 29 -3.234 7.933 -0.628 183 HH12 ARG 29 2HH1 ARG 29 -3.373 9.299 -1.673 184 HH21 ARG 29 1HH2 ARG 29 -3.485 7.278 -4.610 185 HH22 ARG 29 2HH2 ARG 29 -3.699 8.911 -4.047 186 H ASN 30 H ASN 30 -0.522 1.895 -2.238 187 HA ASN 30 HA ASN 30 -2.609 -0.094 -1.485 188 HB3 ASN 30 2HB ASN 30 -2.073 -0.714 -4.025 189 HD21 ASN 30 1HD2 ASN 30 -4.351 -1.138 -2.851 190 HD22 ASN 30 2HD2 ASN 30 -5.571 -0.087 -3.441 191 H ARG 31 H ARG 31 0.883 0.201 -1.922 192 HA ARG 31 HA ARG 31 1.548 -2.400 -2.681 193 HB3 ARG 31 2HB ARG 31 3.090 -0.545 -0.823 194 HG3 ARG 31 2HG ARG 31 4.956 -1.904 -2.200 195 HD3 ARG 31 2HD ARG 31 3.816 -2.336 0.522 196 HE ARG 31 HE ARG 31 4.726 -4.294 0.937 197 HH11 ARG 31 1HH1 ARG 31 6.178 -3.415 -2.267 198 HH12 ARG 31 2HH1 ARG 31 7.319 -4.701 -2.135 199 HH21 ARG 31 1HH2 ARG 31 6.264 -6.084 0.867 200 HH22 ARG 31 2HH2 ARG 31 7.379 -6.094 -0.473 201 H LEU 32 H LEU 32 1.229 -1.165 0.604 202 HA LEU 32 HA LEU 32 1.830 -3.617 1.842 203 HB3 LEU 32 2HB LEU 32 1.922 -1.249 2.788 204 HG LEU 32 HG LEU 32 -0.936 -1.951 3.651 205 HD11 LEU 32 1HD1 LEU 32 -0.775 0.067 5.046 206 HD12 LEU 32 2HD1 LEU 32 0.863 0.344 4.500 207 HD13 LEU 32 3HD1 LEU 32 0.492 -1.081 5.485 208 HD21 LEU 32 3HD2 LEU 32 -1.472 0.311 2.705 209 HD22 LEU 32 1HD2 LEU 32 -0.998 -0.827 1.479 210 HD23 LEU 32 2HD2 LEU 32 0.176 0.383 2.017 211 H LEU 33 H LEU 33 -1.116 -2.668 0.351 212 HA LEU 33 HA LEU 33 -3.048 -4.000 1.958 213 HB3 LEU 33 2HB LEU 33 -3.275 -3.650 -1.037 214 HG LEU 33 HG LEU 33 -5.168 -2.521 1.037 215 HD11 LEU 33 1HD1 LEU 33 -6.721 -2.820 -1.008 216 HD12 LEU 33 2HD1 LEU 33 -5.288 -3.228 -1.930 217 HD13 LEU 33 3HD1 LEU 33 -5.417 -1.630 -1.155 218 HD21 LEU 33 3HD2 LEU 33 -5.459 -5.292 -0.122 219 HD22 LEU 33 1HD2 LEU 33 -6.705 -4.395 0.761 220 HD23 LEU 33 2HD2 LEU 33 -5.227 -4.864 1.597 221 H GLY 34 H GLY 34 -1.004 -4.990 -0.814 222 HA2 GLY 34 1HA GLY 34 -2.219 -7.534 -1.301 223 HA3 GLY 34 2HA GLY 34 -0.590 -7.022 -1.758 224 H GLU 35 H GLU 35 0.277 -6.447 1.016 225 HA GLU 35 HA GLU 35 1.330 -9.004 1.679 226 HB3 GLU 35 2HB GLU 35 2.227 -7.937 3.652 227 HG3 GLU 35 2HG GLU 35 2.167 -5.925 1.370 228 H TRP 36 H TRP 36 -1.432 -7.134 2.946 229 HA TRP 36 HA TRP 36 -2.032 -8.805 5.222 230 HB3 TRP 36 2HB TRP 36 -3.651 -6.877 3.517 231 HD1 TRP 36 HD TRP 36 -4.103 -8.466 7.032 232 HE1 TRP 36 1HE TRP 36 -6.596 -8.904 7.423 233 HE3 TRP 36 3HE TRP 36 -5.899 -6.935 2.494 234 HZ2 TRP 36 2HZ TRP 36 -9.081 -8.521 5.973 235 HZ3 TRP 36 3HZ TRP 36 -8.324 -6.992 2.017 236 HH2 TRP 36 HH TRP 36 -9.925 -7.793 3.752 237 H ALA 37 H ALA 37 -3.581 -8.644 1.985 238 HA ALA 37 HA ALA 37 -5.134 -10.952 2.217 239 HB1 ALA 37 1HB ALA 37 -3.787 -9.782 -0.257 240 HB2 ALA 37 2HB ALA 37 -5.068 -11.005 -0.288 241 HB3 ALA 37 3HB ALA 37 -5.416 -9.401 0.374 242 H ALA 38 H ALA 38 -1.740 -10.757 0.979 243 HA ALA 38 HA ALA 38 -1.275 -13.321 0.230 244 HB1 ALA 38 1HB ALA 38 0.587 -11.565 1.887 245 HB2 ALA 38 2HB ALA 38 1.052 -12.984 0.966 246 HB3 ALA 38 3HB ALA 38 0.432 -11.555 0.123 247 H GLY 39 H GLY 39 -0.882 -12.211 3.647 248 HA2 GLY 39 1HA GLY 39 -0.095 -14.778 4.643 249 HA3 GLY 39 2HA GLY 39 -0.714 -13.432 5.612 250 H LEU 40 H LEU 40 -3.261 -13.318 4.106 251 HA LEU 40 HA LEU 40 -4.782 -15.251 5.650 252 HB3 LEU 40 2HB LEU 40 -6.708 -14.236 4.494 253 HG LEU 40 HG LEU 40 -4.779 -12.029 5.303 254 HD11 LEU 40 1HD1 LEU 40 -7.785 -12.140 4.946 255 HD12 LEU 40 2HD1 LEU 40 -6.611 -11.027 4.207 256 HD13 LEU 40 3HD1 LEU 40 -6.995 -10.908 5.925 257 HD21 LEU 40 3HD2 LEU 40 -5.787 -12.159 7.516 258 HD22 LEU 40 1HD2 LEU 40 -4.916 -13.629 7.091 259 HD23 LEU 40 2HD2 LEU 40 -6.703 -13.611 7.010 260 H LEU 41 H LEU 41 -4.189 -14.770 2.162 261 HA LEU 41 HA LEU 41 -5.271 -17.173 1.146 262 HB3 LEU 41 2HB LEU 41 -3.227 -16.965 -0.493 263 HG LEU 41 HG LEU 41 -5.626 -16.249 -0.851 264 HD11 LEU 41 1HD1 LEU 41 -5.649 -14.235 0.552 265 HD12 LEU 41 2HD1 LEU 41 -6.092 -13.878 -1.126 266 HD13 LEU 41 3HD1 LEU 41 -4.467 -13.470 -0.548 267 HD21 LEU 41 3HD2 LEU 41 -3.951 -16.436 -2.692 268 HD22 LEU 41 1HD2 LEU 41 -3.398 -14.773 -2.343 269 HD23 LEU 41 2HD2 LEU 41 -5.034 -15.066 -2.976 270 H GLY 42 H GLY 42 -2.332 -16.587 2.863 271 HA2 GLY 42 1HA GLY 42 -1.270 -18.292 4.246 272 HA3 GLY 42 2HA GLY 42 -1.770 -19.519 3.085 273 H LYS 43 H LYS 43 -0.638 -16.652 1.600 274 HA LYS 43 HA LYS 43 1.901 -17.826 0.674 275 HB3 LYS 43 2HB LYS 43 2.116 -15.673 -0.470 276 HG3 LYS 43 2HG LYS 43 -0.749 -16.682 -0.831 277 HD3 LYS 43 2HD LYS 43 1.135 -14.895 -2.400 278 HE3 LYS 43 2HE LYS 43 -0.408 -15.056 -4.314 279 HZ1 LYS 43 3HZ LYS 43 1.641 -16.514 -4.000 280 HZ2 LYS 43 1HZ LYS 43 0.550 -16.975 -5.166 281 HZ3 LYS 43 2HZ LYS 43 0.653 -17.733 -3.734 282 H THR 44 H THR 44 3.755 -17.484 1.884 283 HA THR 44 HA THR 44 3.978 -15.079 3.570 284 HB THR 44 HB THR 44 4.833 -16.535 5.465 285 HG1 THR 44 1HG THR 44 4.478 -18.593 5.453 286 HG21 THR 44 3HG2 THR 44 1.854 -16.834 4.917 287 HG22 THR 44 1HG2 THR 44 2.625 -15.370 5.572 288 HG23 THR 44 2HG2 THR 44 2.670 -16.891 6.480 289 H GLY 45 H GLY 45 6.228 -14.839 4.341 290 HA2 GLY 45 1HA GLY 45 8.512 -14.978 4.078 291 HA3 GLY 45 2HA GLY 45 8.336 -16.383 3.003 292 H ASP 46 H ASP 46 9.140 -15.847 1.028 293 HA ASP 46 HA ASP 46 9.092 -13.056 0.073 294 HB3 ASP 46 2HB ASP 46 9.965 -15.593 -1.382 295 H ASP 47 H ASP 47 7.263 -16.117 -0.494 296 HA ASP 47 HA ASP 47 6.067 -15.469 -2.916 297 HB3 ASP 47 2HB ASP 47 4.446 -16.697 -0.802 298 H ALA 48 H ALA 48 5.142 -14.582 0.242 299 HA ALA 48 HA ALA 48 2.721 -13.075 -0.320 300 HB1 ALA 48 1HB ALA 48 3.260 -13.754 1.982 301 HB2 ALA 48 2HB ALA 48 4.753 -12.784 1.966 302 HB3 ALA 48 3HB ALA 48 3.163 -11.986 1.914 303 H ARG 49 H ARG 49 6.127 -12.136 -0.045 304 HA ARG 49 HA ARG 49 5.820 -9.316 -0.351 305 HB3 ARG 49 2HB ARG 49 8.292 -10.545 -1.415 306 HG3 ARG 49 2HG ARG 49 7.847 -8.930 1.102 307 HD3 ARG 49 2HD ARG 49 10.046 -9.150 -0.932 308 HE ARG 49 HE ARG 49 10.660 -7.053 -0.428 309 HH11 ARG 49 1HH1 ARG 49 9.324 -8.377 2.589 310 HH12 ARG 49 2HH1 ARG 49 9.580 -6.917 3.489 311 HH21 ARG 49 1HH2 ARG 49 11.150 -5.168 0.822 312 HH22 ARG 49 2HH2 ARG 49 10.886 -5.223 2.535 313 H ALA 50 H ALA 50 6.672 -11.883 -2.663 314 HA ALA 50 HA ALA 50 6.750 -10.340 -4.998 315 HB1 ALA 50 1HB ALA 50 6.579 -12.589 -6.115 316 HB2 ALA 50 2HB ALA 50 7.764 -12.570 -4.784 317 HB3 ALA 50 3HB ALA 50 6.164 -13.312 -4.550 318 H TYR 51 H TYR 51 4.005 -12.268 -3.605 319 HA TYR 51 HA TYR 51 2.124 -11.635 -5.637 320 HB3 TYR 51 2HB TYR 51 1.872 -12.350 -2.705 321 HD1 TYR 51 1HD TYR 51 -0.486 -13.214 -5.479 322 HD2 TYR 51 2HD TYR 51 0.116 -10.888 -1.889 323 HE1 TYR 51 1HE TYR 51 -2.930 -12.849 -5.293 324 HE2 TYR 51 2HE TYR 51 -2.274 -10.552 -1.688 325 HH TYR 51 HH TYR 51 -4.696 -11.981 -3.947 326 H ALA 52 H ALA 52 2.972 -9.869 -2.584 327 HA ALA 52 HA ALA 52 0.909 -8.013 -2.787 328 HB1 ALA 52 1HB ALA 52 3.667 -7.531 -1.599 329 HB2 ALA 52 2HB ALA 52 2.205 -6.598 -1.249 330 HB3 ALA 52 3HB ALA 52 2.306 -8.303 -0.768 331 H LEU 53 H LEU 53 3.833 -8.117 -4.664 332 HA LEU 53 HA LEU 53 4.170 -5.399 -5.296 333 HB3 LEU 53 2HB LEU 53 5.549 -6.136 -7.142 334 HG LEU 53 HG LEU 53 5.814 -8.324 -5.085 335 HD11 LEU 53 1HD1 LEU 53 7.046 -8.683 -7.142 336 HD12 LEU 53 2HD1 LEU 53 8.160 -8.376 -5.803 337 HD13 LEU 53 3HD1 LEU 53 7.826 -7.093 -6.987 338 HD21 LEU 53 3HD2 LEU 53 7.426 -7.008 -3.898 339 HD22 LEU 53 1HD2 LEU 53 5.879 -6.180 -3.882 340 HD23 LEU 53 2HD2 LEU 53 7.166 -5.608 -4.980 341 H THR 54 H THR 54 1.727 -7.572 -6.573 342 HA THR 54 HA THR 54 1.373 -5.857 -8.969 343 HB THR 54 HB THR 54 1.745 -8.289 -9.189 344 HG1 THR 54 1HG THR 54 0.787 -7.303 -10.850 345 HG21 THR 54 3HG2 THR 54 -0.207 -9.831 -8.877 346 HG22 THR 54 1HG2 THR 54 -0.990 -8.580 -7.888 347 HG23 THR 54 2HG2 THR 54 0.572 -9.296 -7.399 348 H VAL 55 H VAL 55 0.171 -5.921 -5.843 349 HA VAL 55 HA VAL 55 -2.644 -5.757 -6.538 350 HB VAL 55 HB VAL 55 -1.375 -5.630 -3.785 351 HG11 VAL 55 1HG1 VAL 55 -3.784 -5.064 -3.956 352 HG12 VAL 55 2HG1 VAL 55 -4.076 -6.614 -4.787 353 HG13 VAL 55 3HG1 VAL 55 -3.511 -6.583 -3.106 354 HG21 VAL 55 3HG2 VAL 55 -1.988 -8.074 -5.474 355 HG22 VAL 55 1HG2 VAL 55 -0.455 -7.628 -4.735 356 HG23 VAL 55 2HG2 VAL 55 -1.799 -8.128 -3.715 357 H VAL 56 H VAL 56 -2.453 -3.660 -7.751 358 HA VAL 56 HA VAL 56 -2.639 -1.328 -6.036 359 HB VAL 56 HB VAL 56 -1.725 -0.260 -8.116 360 HG11 VAL 56 1HG1 VAL 56 0.198 -2.054 -6.577 361 HG12 VAL 56 2HG1 VAL 56 0.592 -0.522 -7.381 362 HG13 VAL 56 3HG1 VAL 56 -0.440 -0.520 -5.953 363 HG21 VAL 56 3HG2 VAL 56 -1.833 -2.264 -9.603 364 HG22 VAL 56 1HG2 VAL 56 -0.246 -1.497 -9.507 365 HG23 VAL 56 2HG2 VAL 56 -0.542 -2.999 -8.625 366 H THR 57 H THR 57 -4.883 -1.414 -5.827 367 HA THR 57 HA THR 57 -6.495 -0.735 -8.159 368 HB THR 57 HB THR 57 -6.292 -3.154 -8.327 369 HG1 THR 57 1HG THR 57 -8.320 -2.346 -8.736 370 HG21 THR 57 3HG2 THR 57 -5.610 -3.847 -6.108 371 HG22 THR 57 1HG2 THR 57 -7.104 -4.687 -6.526 372 HG23 THR 57 2HG2 THR 57 -7.150 -3.314 -5.410 373 H SER 58 H SER 58 -8.301 0.594 -7.370 374 HA SER 58 HA SER 58 -8.929 0.599 -4.553 375 HB3 SER 58 2HB SER 58 -7.440 3.066 -5.545 376 HG SER 58 HG SER 58 -8.566 3.446 -3.686 377 H ASP 59 H ASP 59 -10.914 0.201 -5.771 378 HA ASP 59 HA ASP 59 -12.172 2.552 -7.063 379 HB3 ASP 59 2HB ASP 59 -12.764 0.993 -8.928 380 H PHE 60 H PHE 60 -13.580 2.754 -5.335 381 HA PHE 60 HA PHE 60 -15.616 0.688 -4.829 382 HB3 PHE 60 2HB PHE 60 -14.139 1.773 -2.425 383 HD1 PHE 60 1HD PHE 60 -16.645 1.097 -1.500 384 HD2 PHE 60 2HD PHE 60 -13.595 -1.680 -2.795 385 HE1 PHE 60 1HE PHE 60 -17.773 -0.697 -0.302 386 HE2 PHE 60 2HE PHE 60 -14.637 -3.420 -1.348 387 HZ PHE 60 HZ PHE 60 -16.790 -2.974 -0.211 388 H ASP 61 H ASP 61 -15.187 3.922 -5.535 389 HA ASP 61 HA ASP 61 -15.832 5.115 -2.935 390 HB3 ASP 61 2HB ASP 61 -15.925 6.598 -5.580 391 H GLU 62 H GLU 62 -17.481 4.516 -6.018 392 HA GLU 62 HA GLU 62 -20.130 5.021 -4.764 393 HB3 GLU 62 2HB GLU 62 -20.553 5.853 -7.296 394 HG3 GLU 62 2HG GLU 62 -19.227 7.580 -5.166 395 HA PRO 63 HA PRO 63 -21.153 1.169 -6.480 396 HB3 PRO 63 2HB PRO 63 -23.121 1.558 -5.268 397 HG3 PRO 63 2HG PRO 63 -24.460 3.525 -5.655 398 HD3 PRO 63 2HD PRO 63 -22.322 4.179 -4.861 399 H GLY 64 H GLY 64 -19.747 2.145 -8.397 400 HA2 GLY 64 1HA GLY 64 -21.100 1.229 -10.901 401 HA3 GLY 64 2HA GLY 64 -20.027 2.642 -10.900 402 H ASP 65 H ASP 65 -17.878 2.311 -9.914 403 HA ASP 65 HA ASP 65 -16.498 0.790 -11.596 404 HB3 ASP 65 2HB ASP 65 -14.493 1.413 -10.387 405 H GLU 66 H GLU 66 -16.640 0.001 -8.118 406 HA GLU 66 HA GLU 66 -16.460 -1.826 -6.888 407 HB3 GLU 66 2HB GLU 66 -18.698 -1.984 -7.967 408 HG3 GLU 66 2HG GLU 66 -17.434 -4.271 -9.533 409 H ASP 67 H ASP 67 -14.364 -1.630 -9.162 410 HA ASP 67 HA ASP 67 -13.912 -4.220 -10.012 411 HB3 ASP 67 2HB ASP 67 -11.609 -2.250 -10.119 412 H VAL 68 H VAL 68 -12.742 -2.803 -7.121 413 HA VAL 68 HA VAL 68 -10.452 -4.564 -6.724 414 HB VAL 68 HB VAL 68 -12.008 -3.078 -4.552 415 HG11 VAL 68 1HG1 VAL 68 -9.140 -4.110 -4.683 416 HG12 VAL 68 2HG1 VAL 68 -9.838 -3.166 -3.346 417 HG13 VAL 68 3HG1 VAL 68 -10.448 -4.780 -3.703 418 HG21 VAL 68 3HG2 VAL 68 -11.249 -1.477 -6.285 419 HG22 VAL 68 1HG2 VAL 68 -10.496 -1.253 -4.698 420 HG23 VAL 68 2HG2 VAL 68 -9.594 -2.012 -6.010 421 H PHE 69 H PHE 69 -13.732 -4.327 -5.214 422 HA PHE 69 HA PHE 69 -13.320 -6.574 -3.548 423 HB3 PHE 69 2HB PHE 69 -15.871 -5.189 -4.464 424 HD1 PHE 69 1HD PHE 69 -17.109 -7.414 -4.712 425 HD2 PHE 69 2HD PHE 69 -15.341 -6.150 -0.979 426 HE1 PHE 69 1HE PHE 69 -18.441 -9.106 -3.508 427 HE2 PHE 69 2HE PHE 69 -16.676 -7.871 0.210 428 HZ PHE 69 HZ PHE 69 -18.178 -9.374 -1.072 429 H ARG 70 H ARG 70 -14.630 -6.448 -6.829 430 HA ARG 70 HA ARG 70 -15.544 -9.078 -7.131 431 HB3 ARG 70 2HB ARG 70 -13.883 -7.596 -9.202 432 HG3 ARG 70 2HG ARG 70 -16.141 -9.655 -9.233 433 HD3 ARG 70 2HD ARG 70 -16.212 -7.666 -10.948 434 HE ARG 70 HE ARG 70 -13.891 -9.158 -11.876 435 HH11 ARG 70 1HH1 ARG 70 -16.221 -6.667 -12.652 436 HH12 ARG 70 2HH1 ARG 70 -16.094 -6.762 -14.370 437 HH21 ARG 70 1HH2 ARG 70 -13.210 -8.904 -14.110 438 HH22 ARG 70 2HH2 ARG 70 -13.842 -7.567 -15.007 439 H LYS 71 H LYS 71 -12.151 -7.986 -7.513 440 HA LYS 71 HA LYS 71 -11.318 -10.779 -7.848 441 HB3 LYS 71 2HB LYS 71 -9.095 -9.905 -8.008 442 HG3 LYS 71 2HG LYS 71 -9.213 -8.394 -9.838 443 HD3 LYS 71 2HD LYS 71 -11.985 -9.663 -9.977 444 HE3 LYS 71 2HE LYS 71 -11.135 -8.324 -11.922 445 HZ1 LYS 71 3HZ LYS 71 -9.078 -10.437 -12.156 446 HZ2 LYS 71 1HZ LYS 71 -8.779 -8.886 -11.747 447 HZ3 LYS 71 2HZ LYS 71 -9.359 -9.199 -13.223 448 H LEU 72 H LEU 72 -11.193 -8.303 -5.321 449 HA LEU 72 HA LEU 72 -9.455 -9.616 -3.609 450 HB3 LEU 72 2HB LEU 72 -11.720 -7.856 -2.587 451 HG LEU 72 HG LEU 72 -9.938 -6.734 -1.346 452 HD11 LEU 72 1HD1 LEU 72 -9.673 -8.337 0.379 453 HD12 LEU 72 2HD1 LEU 72 -9.735 -9.692 -0.766 454 HD13 LEU 72 3HD1 LEU 72 -11.198 -8.750 -0.448 455 HD21 LEU 72 3HD2 LEU 72 -7.990 -8.924 -2.154 456 HD22 LEU 72 1HD2 LEU 72 -7.702 -7.469 -1.180 457 HD23 LEU 72 2HD2 LEU 72 -8.059 -7.319 -2.911 458 H ALA 73 H ALA 73 -13.040 -9.553 -3.391 459 HA ALA 73 HA ALA 73 -13.184 -11.260 -1.134 460 HB1 ALA 73 1HB ALA 73 -15.044 -9.837 -1.862 461 HB2 ALA 73 2HB ALA 73 -15.272 -10.851 -3.308 462 HB3 ALA 73 3HB ALA 73 -15.561 -11.518 -1.687 463 H ALA 74 H ALA 74 -12.989 -12.123 -4.606 464 HA ALA 74 HA ALA 74 -13.421 -14.951 -4.111 465 HB1 ALA 74 1HB ALA 74 -13.898 -13.914 -6.288 466 HB2 ALA 74 2HB ALA 74 -12.176 -13.517 -6.499 467 HB3 ALA 74 3HB ALA 74 -12.715 -15.214 -6.456 468 H ASP 75 H ASP 75 -10.525 -12.851 -4.190 469 HA ASP 75 HA ASP 75 -8.585 -15.032 -4.070 470 HB3 ASP 75 2HB ASP 75 -7.358 -12.871 -2.845 471 H LEU 76 H LEU 76 -10.641 -13.323 -1.834 472 HA LEU 76 HA LEU 76 -9.313 -14.472 0.552 473 HB3 LEU 76 2HB LEU 76 -11.043 -12.049 0.736 474 HG LEU 76 HG LEU 76 -9.576 -12.677 2.666 475 HD11 LEU 76 1HD1 LEU 76 -7.668 -13.769 1.659 476 HD12 LEU 76 2HD1 LEU 76 -7.058 -12.236 2.276 477 HD13 LEU 76 3HD1 LEU 76 -7.386 -12.414 0.550 478 HD21 LEU 76 3HD2 LEU 76 -10.047 -10.234 2.019 479 HD22 LEU 76 1HD2 LEU 76 -8.450 -10.214 1.244 480 HD23 LEU 76 2HD2 LEU 76 -8.586 -10.489 2.988 481 H GLU 77 H GLU 77 -11.542 -15.622 -1.114 482 HA GLU 77 HA GLU 77 -13.998 -15.848 0.098 483 HB3 GLU 77 2HB GLU 77 -12.180 -17.782 -1.336 484 HG3 GLU 77 2HG GLU 77 -15.086 -18.328 -0.560 485 H GLY 78 H GLY 78 -14.465 -16.144 2.159 486 HA2 GLY 78 1HA GLY 78 -14.691 -17.269 4.153 487 HA3 GLY 78 2HA GLY 78 -13.613 -18.501 3.539 488 H LYS 79 H LYS 79 -12.036 -15.492 3.365 489 HA LYS 79 HA LYS 79 -10.786 -15.775 6.052 490 HB3 LYS 79 2HB LYS 79 -9.038 -16.746 5.077 491 HG3 LYS 79 2HG LYS 79 -9.747 -15.469 2.434 492 HD3 LYS 79 2HD LYS 79 -7.640 -17.559 3.054 493 HE3 LYS 79 2HE LYS 79 -7.223 -17.568 0.633 494 HZ1 LYS 79 3HZ LYS 79 -9.323 -18.648 -0.117 495 HZ2 LYS 79 1HZ LYS 79 -10.115 -18.084 1.166 496 HZ3 LYS 79 2HZ LYS 79 -8.922 -19.158 1.402 497 H ALA 80 H ALA 80 -12.584 -13.699 4.407 498 HA ALA 80 HA ALA 80 -11.694 -11.639 6.231 499 HB1 ALA 80 1HB ALA 80 -12.084 -11.011 3.276 500 HB2 ALA 80 2HB ALA 80 -11.872 -9.812 4.578 501 HB3 ALA 80 3HB ALA 80 -10.565 -10.928 4.215 502 H ASP 81 H ASP 81 -13.636 -9.747 5.367 503 HA ASP 81 HA ASP 81 -16.197 -11.144 5.635 504 HB3 ASP 81 2HB ASP 81 -16.944 -9.900 7.386 505 H GLU 82 H GLU 82 -17.928 -9.935 4.804 506 HA GLU 82 HA GLU 82 -17.189 -8.377 2.543 507 HB3 GLU 82 2HB GLU 82 -19.804 -8.077 2.436 508 HG3 GLU 82 2HG GLU 82 -18.666 -10.890 2.198 509 H GLU 83 H GLU 83 -18.038 -7.455 5.746 510 HA GLU 83 HA GLU 83 -18.119 -4.576 4.934 511 HB3 GLU 83 2HB GLU 83 -18.728 -4.218 7.333 512 HG3 GLU 83 2HG GLU 83 -20.503 -6.176 5.808 513 H THR 84 H THR 84 -15.678 -6.771 5.719 514 HA THR 84 HA THR 84 -14.109 -4.779 7.261 515 HB THR 84 HB THR 84 -13.920 -7.754 6.827 516 HG1 THR 84 1HG THR 84 -14.111 -6.016 9.075 517 HG21 THR 84 3HG2 THR 84 -11.582 -7.062 6.761 518 HG22 THR 84 1HG2 THR 84 -11.964 -7.894 8.259 519 HG23 THR 84 2HG2 THR 84 -11.794 -6.133 8.259 520 H ILE 85 H ILE 85 -13.951 -6.489 4.132 521 HA ILE 85 HA ILE 85 -11.305 -5.840 3.481 522 HB ILE 85 HB ILE 85 -13.609 -5.953 1.463 523 HG13 ILE 85 2HG1 ILE 85 -13.075 -8.058 3.100 524 HG21 ILE 85 1HG2 ILE 85 -10.619 -6.304 1.132 525 HG22 ILE 85 2HG2 ILE 85 -11.865 -6.537 -0.117 526 HG23 ILE 85 3HG2 ILE 85 -11.569 -4.932 0.562 527 HD11 ILE 85 3HD1 ILE 85 -13.538 -9.621 1.242 528 HD12 ILE 85 1HD1 ILE 85 -14.672 -8.262 1.316 529 HD13 ILE 85 2HD1 ILE 85 -13.396 -8.285 0.083 530 H ARG 86 H ARG 86 -14.251 -3.933 2.713 531 HA ARG 86 HA ARG 86 -13.055 -1.721 1.525 532 HB3 ARG 86 2HB ARG 86 -15.495 -2.273 1.749 533 HG3 ARG 86 2HG ARG 86 -15.415 -2.017 4.472 534 HD3 ARG 86 2HD ARG 86 -16.562 0.593 3.390 535 HE ARG 86 HE ARG 86 -16.039 0.452 6.193 536 HH11 ARG 86 1HH1 ARG 86 -18.559 -0.367 3.765 537 HH12 ARG 86 2HH1 ARG 86 -19.823 -0.423 4.935 538 HH21 ARG 86 1HH2 ARG 86 -17.854 0.553 7.684 539 HH22 ARG 86 2HH2 ARG 86 -19.445 0.208 7.073 540 H ALA 87 H ALA 87 -13.666 -2.245 4.969 541 HA ALA 87 HA ALA 87 -12.622 0.250 5.765 542 HB1 ALA 87 1HB ALA 87 -13.275 -2.291 7.358 543 HB2 ALA 87 2HB ALA 87 -12.948 -0.693 8.076 544 HB3 ALA 87 3HB ALA 87 -14.362 -0.932 7.036 545 H LYS 88 H LYS 88 -10.901 -2.564 4.786 546 HA LYS 88 HA LYS 88 -8.671 -2.175 6.687 547 HB3 LYS 88 2HB LYS 88 -8.909 -4.050 4.307 548 HG3 LYS 88 2HG LYS 88 -6.550 -3.620 5.083 549 HD3 LYS 88 2HD LYS 88 -7.550 -4.963 7.639 550 HE3 LYS 88 2HE LYS 88 -4.718 -4.274 6.732 551 HZ1 LYS 88 3HZ LYS 88 -4.039 -5.324 8.760 552 HZ2 LYS 88 1HZ LYS 88 -5.573 -5.677 9.188 553 HZ3 LYS 88 2HZ LYS 88 -5.087 -4.112 9.130 554 H MET 89 H MET 89 -9.032 -2.147 3.109 555 HA MET 89 HA MET 89 -6.456 -1.080 2.732 556 HB3 MET 89 2HB MET 89 -7.656 -2.343 1.108 557 HG3 MET 89 2HG MET 89 -8.962 -0.051 -0.165 558 HE1 MET 89 3HE MET 89 -11.080 -0.694 -1.749 559 HE2 MET 89 1HE MET 89 -11.888 -2.268 -1.608 560 HE3 MET 89 2HE MET 89 -11.883 -1.150 -0.233 561 H VAL 90 H VAL 90 -9.544 0.646 3.090 562 HA VAL 90 HA VAL 90 -8.599 3.232 2.384 563 HB VAL 90 HB VAL 90 -10.856 2.350 4.236 564 HG11 VAL 90 1HG1 VAL 90 -10.322 4.723 4.664 565 HG12 VAL 90 2HG1 VAL 90 -10.357 5.064 2.918 566 HG13 VAL 90 3HG1 VAL 90 -11.843 4.588 3.780 567 HG21 VAL 90 3HG2 VAL 90 -10.942 3.229 1.308 568 HG22 VAL 90 1HG2 VAL 90 -11.036 1.538 1.847 569 HG23 VAL 90 2HG2 VAL 90 -12.299 2.658 2.318 570 H GLU 91 H GLU 91 -8.681 1.493 5.593 571 HA GLU 91 HA GLU 91 -7.952 3.816 7.118 572 HB3 GLU 91 2HB GLU 91 -7.166 1.799 8.716 573 HG3 GLU 91 2HG GLU 91 -9.643 1.312 9.158 574 H LEU 92 H LEU 92 -6.132 1.318 5.456 575 HA LEU 92 HA LEU 92 -3.554 1.846 6.565 576 HB3 LEU 92 2HB LEU 92 -2.848 0.532 4.493 577 HG LEU 92 HG LEU 92 -5.069 -0.661 6.200 578 HD11 LEU 92 1HD1 LEU 92 -5.017 -1.859 4.118 579 HD12 LEU 92 2HD1 LEU 92 -4.210 -2.858 5.337 580 HD13 LEU 92 3HD1 LEU 92 -3.247 -1.969 4.145 581 HD21 LEU 92 3HD2 LEU 92 -2.975 -0.090 7.444 582 HD22 LEU 92 1HD2 LEU 92 -2.077 -1.157 6.342 583 HD23 LEU 92 2HD2 LEU 92 -3.326 -1.817 7.395 584 H ARG 93 H ARG 93 -5.418 3.889 4.551 585 HA ARG 93 HA ARG 93 -3.595 4.712 2.633 586 HB3 ARG 93 2HB ARG 93 -5.913 5.376 2.640 587 HG3 ARG 93 2HG ARG 93 -5.347 7.629 4.605 588 HD3 ARG 93 2HD ARG 93 -7.845 6.354 3.426 589 HE ARG 93 HE ARG 93 -7.766 7.641 5.889 590 HH11 ARG 93 1HH1 ARG 93 -9.467 7.993 2.772 591 HH12 ARG 93 2HH1 ARG 93 -10.910 8.638 3.476 592 HH21 ARG 93 1HH2 ARG 93 -9.683 8.496 6.800 593 HH22 ARG 93 2HH2 ARG 93 -11.004 9.022 5.813 594 H ALA 94 H ALA 94 -3.947 6.030 5.935 595 HA ALA 94 HA ALA 94 -1.781 7.916 5.541 596 HB1 ALA 94 1HB ALA 94 -3.323 7.122 8.052 597 HB2 ALA 94 2HB ALA 94 -2.237 8.521 7.888 598 HB3 ALA 94 3HB ALA 94 -3.733 8.448 6.940 599 H THR 95 H THR 95 -1.733 4.524 6.311 600 HA THR 95 HA THR 95 0.357 4.498 8.218 601 HB THR 95 HB THR 95 -0.404 2.460 6.102 602 HG1 THR 95 1HG THR 95 -1.352 2.005 8.595 603 HG21 THR 95 3HG2 THR 95 1.119 2.061 8.704 604 HG22 THR 95 1HG2 THR 95 1.814 1.922 7.080 605 HG23 THR 95 2HG2 THR 95 0.565 0.785 7.603 606 H ALA 96 H ALA 96 0.432 4.655 4.598 607 HA ALA 96 HA ALA 96 3.096 3.890 4.451 608 HB1 ALA 96 1HB ALA 96 3.089 4.901 2.163 609 HB2 ALA 96 2HB ALA 96 1.717 3.840 2.456 610 HB3 ALA 96 3HB ALA 96 1.497 5.606 2.513 611 H ARG 97 H ARG 97 1.911 7.107 5.358 612 HA ARG 97 HA ARG 97 4.318 8.561 4.829 613 HB3 ARG 97 2HB ARG 97 1.772 8.902 6.458 614 HG3 ARG 97 2HG ARG 97 3.416 10.085 7.636 615 HD3 ARG 97 2HD ARG 97 4.282 11.062 4.928 616 HE ARG 97 HE ARG 97 4.585 13.164 5.515 617 HH11 ARG 97 1HH1 ARG 97 4.180 11.601 8.718 618 HH12 ARG 97 2HH1 ARG 97 5.009 12.900 9.517 619 HH21 ARG 97 1HH2 ARG 97 5.553 14.898 6.707 620 HH22 ARG 97 2HH2 ARG 97 5.635 14.763 8.437 621 H GLU 98 H GLU 98 2.830 6.945 7.694 622 HA GLU 98 HA GLU 98 4.900 7.572 9.513 623 HB3 GLU 98 2HB GLU 98 3.728 5.501 10.645 624 HG3 GLU 98 2HG GLU 98 1.621 7.283 10.670 625 H GLN 99 H GLN 99 4.099 4.506 7.821 626 HA GLN 99 HA GLN 99 6.024 3.009 9.056 627 HB3 GLN 99 2HB GLN 99 3.912 2.318 7.822 628 HG3 GLN 99 2HG GLN 99 5.878 2.174 5.616 629 HE21 GLN 99 1HE2 GLN 99 2.516 2.386 4.785 630 HE22 GLN 99 2HE2 GLN 99 2.495 0.726 4.227 631 H ILE 100 H ILE 100 6.613 5.187 6.463 632 HA ILE 100 HA ILE 100 9.128 3.935 5.549 633 HB ILE 100 HB ILE 100 7.502 6.419 4.960 634 HG13 ILE 100 2HG1 ILE 100 7.009 5.495 2.802 635 HG21 ILE 100 1HG2 ILE 100 10.224 5.817 3.759 636 HG22 ILE 100 2HG2 ILE 100 9.051 6.917 2.995 637 HG23 ILE 100 3HG2 ILE 100 9.676 7.277 4.600 638 HD11 ILE 100 3HD1 ILE 100 8.914 3.196 3.351 639 HD12 ILE 100 1HD1 ILE 100 7.833 3.392 1.942 640 HD13 ILE 100 2HD1 ILE 100 9.182 4.491 2.163 641 H ILE 101 H ILE 101 7.980 6.731 7.550 642 HA ILE 101 HA ILE 101 10.711 7.627 8.097 643 HB ILE 101 HB ILE 101 8.015 8.204 9.420 644 HG13 ILE 101 2HG1 ILE 101 8.132 8.927 7.029 645 HG21 ILE 101 1HG2 ILE 101 9.085 10.150 10.480 646 HG22 ILE 101 2HG2 ILE 101 9.946 8.696 10.947 647 HG23 ILE 101 3HG2 ILE 101 10.630 9.756 9.693 648 HD11 ILE 101 3HD1 ILE 101 8.281 11.393 8.788 649 HD12 ILE 101 1HD1 ILE 101 7.475 11.198 7.228 650 HD13 ILE 101 2HD1 ILE 101 6.847 10.337 8.650 651 H SER 102 H SER 102 8.427 5.291 9.308 652 HA SER 102 HA SER 102 9.811 4.803 11.813 653 HB3 SER 102 2HB SER 102 7.993 2.804 10.438 654 HG SER 102 HG SER 102 7.769 3.581 13.136 655 H GLU 103 H GLU 103 9.925 3.304 8.495 656 HA GLU 103 HA GLU 103 12.355 1.804 9.229 657 HB3 GLU 103 2HB GLU 103 11.470 -0.018 7.755 658 HG3 GLU 103 2HG GLU 103 9.717 0.472 10.196 659 H ILE 104 H ILE 104 13.237 3.654 8.339 660 HA ILE 104 HA ILE 104 12.978 4.444 5.618 661 HB ILE 104 HB ILE 104 15.521 4.698 7.296 662 HG13 ILE 104 2HG1 ILE 104 13.021 6.358 7.640 663 HG21 ILE 104 1HG2 ILE 104 15.754 6.857 6.031 664 HG22 ILE 104 2HG2 ILE 104 15.798 5.428 5.023 665 HG23 ILE 104 3HG2 ILE 104 14.320 6.390 5.069 666 HD11 ILE 104 3HD1 ILE 104 14.989 5.079 9.573 667 HD12 ILE 104 1HD1 ILE 104 13.873 6.387 10.014 668 HD13 ILE 104 2HD1 ILE 104 13.221 4.849 9.492 Start of MODEL 20 1 H1 MET 1 H MET 1 23.683 2.828 -8.677 2 HA MET 1 HA MET 1 20.796 3.402 -8.852 3 HB3 MET 1 2HB MET 1 22.448 1.733 -10.769 4 HG3 MET 1 2HG MET 1 19.618 2.850 -10.899 5 HE1 MET 1 3HE MET 1 17.992 1.966 -12.952 6 HE2 MET 1 1HE MET 1 18.634 0.930 -14.249 7 HE3 MET 1 2HE MET 1 18.631 0.347 -12.570 8 H THR 2 H THR 2 22.829 0.345 -9.113 9 HA THR 2 HA THR 2 20.907 -1.320 -8.007 10 HB THR 2 HB THR 2 23.932 -1.510 -7.872 11 HG1 THR 2 1HG THR 2 22.620 -2.997 -9.754 12 HG21 THR 2 3HG2 THR 2 23.674 -3.894 -7.766 13 HG22 THR 2 1HG2 THR 2 21.901 -3.766 -7.898 14 HG23 THR 2 2HG2 THR 2 22.736 -3.180 -6.451 15 H THR 3 H THR 3 19.893 -0.902 -6.049 16 HA THR 3 HA THR 3 21.484 -1.589 -3.762 17 HB THR 3 HB THR 3 21.735 0.851 -3.775 18 HG1 THR 3 1HG THR 3 20.099 0.549 -1.556 19 HG21 THR 3 3HG2 THR 3 18.719 1.010 -3.464 20 HG22 THR 3 1HG2 THR 3 19.653 1.574 -4.857 21 HG23 THR 3 2HG2 THR 3 19.863 2.353 -3.280 22 H PHE 4 H PHE 4 20.159 -2.456 -2.139 23 HA PHE 4 HA PHE 4 17.332 -2.073 -2.099 24 HB3 PHE 4 2HB PHE 4 18.423 -4.835 -2.710 25 HD1 PHE 4 2HD PHE 4 15.540 -3.043 -1.018 26 HD2 PHE 4 1HD PHE 4 17.272 -6.842 -2.140 27 HE1 PHE 4 2HE PHE 4 13.978 -4.207 0.491 28 HE2 PHE 4 1HE PHE 4 15.690 -7.988 -0.616 29 HZ PHE 4 HZ PHE 4 14.029 -6.685 0.683 30 H ASP 5 H ASP 5 17.590 -1.216 -0.132 31 HA ASP 5 HA ASP 5 18.967 -2.690 2.030 32 HB3 ASP 5 2HB ASP 5 20.527 -1.155 0.993 33 H ASP 6 H ASP 6 16.147 -1.989 1.130 34 HA ASP 6 HA ASP 6 14.167 -2.179 2.203 35 HB3 ASP 6 2HB ASP 6 15.006 -1.373 4.950 36 H ARG 7 H ARG 7 16.123 0.360 3.656 37 HA ARG 7 HA ARG 7 14.120 2.485 3.354 38 HB3 ARG 7 2HB ARG 7 16.154 3.914 4.019 39 HG3 ARG 7 2HG ARG 7 14.929 1.727 5.684 40 HD3 ARG 7 2HD ARG 7 17.029 3.502 6.936 41 HE ARG 7 HE ARG 7 15.133 1.760 7.977 42 HH11 ARG 7 1HH1 ARG 7 18.672 2.064 8.110 43 HH12 ARG 7 2HH1 ARG 7 18.809 1.066 9.523 44 HH21 ARG 7 1HH2 ARG 7 15.359 0.260 9.630 45 HH22 ARG 7 2HH2 ARG 7 16.920 -0.332 10.123 46 H GLU 8 H GLU 8 14.840 4.417 2.049 47 HA GLU 8 HA GLU 8 15.782 3.655 -0.626 48 HB3 GLU 8 2HB GLU 8 13.209 4.342 -1.151 49 HG3 GLU 8 2HG GLU 8 12.520 1.977 -1.276 50 H ARG 9 H ARG 9 13.689 5.906 1.241 51 HA ARG 9 HA ARG 9 14.414 8.045 -0.606 52 HB3 ARG 9 2HB ARG 9 12.517 7.139 -1.223 53 HG3 ARG 9 2HG ARG 9 10.968 7.404 1.365 54 HD3 ARG 9 2HD ARG 9 9.661 7.056 -0.776 55 HE ARG 9 HE ARG 9 11.177 5.639 -2.003 56 HH11 ARG 9 1HH1 ARG 9 9.315 3.816 0.449 57 HH12 ARG 9 2HH1 ARG 9 9.388 2.345 -0.434 58 HH21 ARG 9 1HH2 ARG 9 11.211 3.769 -3.139 59 HH22 ARG 9 2HH2 ARG 9 10.359 2.345 -2.637 60 H ALA 10 H ALA 10 13.859 10.042 -0.035 61 HA ALA 10 HA ALA 10 14.542 10.682 2.801 62 HB1 ALA 10 1HB ALA 10 16.505 11.048 0.497 63 HB2 ALA 10 2HB ALA 10 16.744 11.639 2.161 64 HB3 ALA 10 3HB ALA 10 16.660 9.894 1.846 65 H HIS 11 H HIS 11 12.438 11.758 2.303 66 HA HIS 11 HA HIS 11 12.345 14.248 1.036 67 HB3 HIS 11 2HB HIS 11 10.364 13.390 2.094 68 HD1 HIS 11 1HD HIS 11 8.952 14.453 4.643 69 HD2 HIS 11 2HD HIS 11 12.745 12.590 4.605 70 HE1 HIS 11 1HE HIS 11 9.407 13.752 7.025 71 H GLU 12 H GLU 12 14.304 13.590 3.758 72 HA GLU 12 HA GLU 12 15.368 15.098 5.296 73 HB3 GLU 12 2HB GLU 12 16.973 14.726 3.735 74 HG3 GLU 12 2HG GLU 12 15.890 17.042 2.073 75 H ALA 13 H ALA 13 13.230 15.786 5.824 76 HA ALA 13 HA ALA 13 11.545 17.237 6.371 77 HB1 ALA 13 1HB ALA 13 12.231 19.388 7.270 78 HB2 ALA 13 2HB ALA 13 13.402 18.134 7.699 79 HB3 ALA 13 3HB ALA 13 13.775 19.300 6.398 80 H LYS 14 H LYS 14 12.461 17.342 3.251 81 HA LYS 14 HA LYS 14 11.198 19.685 2.226 82 HB3 LYS 14 2HB LYS 14 11.069 18.246 0.091 83 HG3 LYS 14 2HG LYS 14 13.603 17.651 0.085 84 HD3 LYS 14 2HD LYS 14 12.673 20.522 0.418 85 HE3 LYS 14 2HE LYS 14 15.326 19.318 0.355 86 HZ1 LYS 14 3HZ LYS 14 16.268 20.719 -1.300 87 HZ2 LYS 14 1HZ LYS 14 14.773 21.226 -1.832 88 HZ3 LYS 14 2HZ LYS 14 15.214 19.657 -1.989 89 H PHE 15 H PHE 15 9.553 17.185 3.898 90 HA PHE 15 HA PHE 15 7.203 16.938 2.192 91 HB3 PHE 15 2HB PHE 15 6.199 16.746 4.737 92 HD1 PHE 15 2HD PHE 15 8.190 14.766 2.186 93 HD2 PHE 15 1HD PHE 15 5.311 14.702 5.413 94 HE1 PHE 15 2HE PHE 15 7.884 12.332 1.938 95 HE2 PHE 15 1HE PHE 15 5.046 12.276 5.129 96 HZ PHE 15 HZ PHE 15 6.311 11.066 3.410 97 H ALA 16 H ALA 16 8.260 19.342 4.561 98 HA ALA 16 HA ALA 16 5.813 20.831 4.559 99 HB1 ALA 16 1HB ALA 16 8.615 21.635 5.399 100 HB2 ALA 16 2HB ALA 16 7.087 22.452 5.827 101 HB3 ALA 16 3HB ALA 16 7.397 20.819 6.423 102 H HIS 17 H HIS 17 7.240 20.306 1.808 103 HA HIS 17 HA HIS 17 7.308 23.034 0.774 104 HB3 HIS 17 2HB HIS 17 9.698 21.170 0.483 105 HD1 HIS 17 1HD HIS 17 10.716 22.413 -1.645 106 HD2 HIS 17 2HD HIS 17 9.471 24.891 1.564 107 HE1 HIS 17 1HE HIS 17 11.537 24.751 -2.154 108 H ASP 18 H ASP 18 8.034 22.803 -1.600 109 HA ASP 18 HA ASP 18 7.688 22.127 -3.717 110 HB3 ASP 18 2HB ASP 18 8.584 19.597 -3.988 111 H ALA 19 H ALA 19 6.926 19.764 -4.947 112 HA ALA 19 HA ALA 19 4.449 18.751 -3.725 113 HB1 ALA 19 1HB ALA 19 3.674 20.629 -5.120 114 HB2 ALA 19 2HB ALA 19 4.589 20.007 -6.504 115 HB3 ALA 19 3HB ALA 19 3.210 19.098 -5.874 116 H GLU 20 H GLU 20 7.437 18.045 -4.935 117 HA GLU 20 HA GLU 20 6.729 15.669 -6.440 118 HB3 GLU 20 2HB GLU 20 9.140 14.987 -5.646 119 HG3 GLU 20 2HG GLU 20 8.729 17.329 -7.534 120 H LEU 21 H LEU 21 7.844 16.143 -2.904 121 HA LEU 21 HA LEU 21 7.697 13.502 -2.307 122 HB3 LEU 21 2HB LEU 21 8.152 14.341 -0.141 123 HG LEU 21 HG LEU 21 9.527 16.152 -0.251 124 HD11 LEU 21 1HD1 LEU 21 9.925 14.948 -2.987 125 HD12 LEU 21 2HD1 LEU 21 10.553 14.309 -1.452 126 HD13 LEU 21 3HD1 LEU 21 11.125 15.865 -2.051 127 HD21 LEU 21 3HD2 LEU 21 8.849 17.353 -2.845 128 HD22 LEU 21 1HD2 LEU 21 9.679 17.976 -1.455 129 HD23 LEU 21 2HD2 LEU 21 7.942 17.737 -1.326 130 H ASN 22 H ASN 22 5.267 16.085 -1.699 131 HA ASN 22 HA ASN 22 3.528 14.676 -0.079 132 HB3 ASN 22 2HB ASN 22 2.663 16.760 -2.102 133 HD21 ASN 22 1HD2 ASN 22 1.286 18.399 -0.848 134 HD22 ASN 22 2HD2 ASN 22 0.095 17.736 0.271 135 H PHE 23 H PHE 23 3.506 14.923 -3.614 136 HA PHE 23 HA PHE 23 1.283 13.576 -4.395 137 HB3 PHE 23 2HB PHE 23 3.941 12.924 -5.676 138 HD1 PHE 23 1HD PHE 23 2.011 11.311 -6.770 139 HD2 PHE 23 2HD PHE 23 2.421 15.560 -7.413 140 HE1 PHE 23 1HE PHE 23 1.079 11.072 -9.061 141 HE2 PHE 23 2HE PHE 23 1.403 15.331 -9.645 142 HZ PHE 23 HZ PHE 23 0.795 13.064 -10.503 143 H LYS 24 H LYS 24 4.414 11.958 -3.578 144 HA LYS 24 HA LYS 24 3.511 9.235 -3.824 145 HB3 LYS 24 2HB LYS 24 5.207 8.970 -1.802 146 HG3 LYS 24 2HG LYS 24 6.759 10.052 -4.096 147 HD3 LYS 24 2HD LYS 24 7.144 8.117 -1.960 148 HE3 LYS 24 2HE LYS 24 6.331 6.481 -3.701 149 HZ1 LYS 24 3HZ LYS 24 7.697 6.018 -5.511 150 HZ2 LYS 24 1HZ LYS 24 8.916 6.981 -5.020 151 HZ3 LYS 24 2HZ LYS 24 7.518 7.642 -5.610 152 H ALA 25 H ALA 25 3.794 11.364 -0.995 153 HA ALA 25 HA ALA 25 2.549 9.577 0.795 154 HB1 ALA 25 1HB ALA 25 2.678 11.526 2.378 155 HB2 ALA 25 2HB ALA 25 4.185 11.329 1.469 156 HB3 ALA 25 3HB ALA 25 3.021 12.594 1.020 157 H GLU 26 H GLU 26 0.947 11.230 -1.646 158 HA GLU 26 HA GLU 26 -1.596 11.403 -0.163 159 HB3 GLU 26 2HB GLU 26 -0.778 12.071 -3.016 160 HG3 GLU 26 2HG GLU 26 -3.344 12.502 -1.477 161 H ALA 27 H ALA 27 0.183 9.243 -2.328 162 HA ALA 27 HA ALA 27 -2.328 7.732 -2.971 163 HB1 ALA 27 1HB ALA 27 -1.639 9.206 -4.753 164 HB2 ALA 27 2HB ALA 27 -0.004 8.493 -4.744 165 HB3 ALA 27 3HB ALA 27 -1.411 7.524 -5.233 166 H ARG 28 H ARG 28 -0.587 6.973 -0.867 167 HA ARG 28 HA ARG 28 0.621 4.442 -1.934 168 HB3 ARG 28 2HB ARG 28 2.389 5.934 -1.554 169 HG3 ARG 28 2HG ARG 28 1.277 7.511 0.085 170 HD3 ARG 28 2HD ARG 28 2.098 5.385 2.077 171 HE ARG 28 HE ARG 28 2.521 7.193 3.296 172 HH11 ARG 28 1HH1 ARG 28 -0.719 7.576 1.869 173 HH12 ARG 28 2HH1 ARG 28 -0.831 9.266 2.232 174 HH21 ARG 28 1HH2 ARG 28 2.227 9.505 3.940 175 HH22 ARG 28 2HH2 ARG 28 0.791 10.317 3.422 176 H ARG 29 H ARG 29 -1.820 5.455 0.196 177 HA ARG 29 HA ARG 29 -1.572 3.673 2.387 178 HB3 ARG 29 2HB ARG 29 -4.148 3.842 2.286 179 HG3 ARG 29 2HG ARG 29 -2.514 6.404 2.281 180 HD3 ARG 29 2HD ARG 29 -5.145 5.739 3.648 181 HE ARG 29 HE ARG 29 -4.577 7.609 4.811 182 HH11 ARG 29 1HH1 ARG 29 -3.769 8.184 1.394 183 HH12 ARG 29 2HH1 ARG 29 -3.812 9.887 1.570 184 HH21 ARG 29 1HH2 ARG 29 -4.237 9.898 5.089 185 HH22 ARG 29 2HH2 ARG 29 -3.640 10.813 3.755 186 H ASN 30 H ASN 30 -2.331 2.941 -0.964 187 HA ASN 30 HA ASN 30 -3.212 0.247 -0.193 188 HB3 ASN 30 2HB ASN 30 -2.944 1.312 -2.997 189 HD21 ASN 30 1HD2 ASN 30 -5.693 -0.196 -0.934 190 HD22 ASN 30 2HD2 ASN 30 -5.770 -1.528 -2.105 191 H ARG 31 H ARG 31 -0.242 1.733 -1.051 192 HA ARG 31 HA ARG 31 1.011 -0.325 -2.564 193 HB3 ARG 31 2HB ARG 31 2.288 1.599 -0.556 194 HG3 ARG 31 2HG ARG 31 3.914 1.167 -2.877 195 HD3 ARG 31 2HD ARG 31 4.443 0.160 -0.068 196 HE ARG 31 HE ARG 31 6.227 0.901 -2.354 197 HH11 ARG 31 1HH1 ARG 31 5.863 -0.822 0.784 198 HH12 ARG 31 2HH1 ARG 31 7.503 -1.316 0.777 199 HH21 ARG 31 1HH2 ARG 31 8.529 0.259 -2.170 200 HH22 ARG 31 2HH2 ARG 31 8.977 -0.669 -0.800 201 H LEU 32 H LEU 32 1.191 0.306 0.926 202 HA LEU 32 HA LEU 32 2.604 -2.077 1.479 203 HB3 LEU 32 2HB LEU 32 2.623 0.071 2.756 204 HG LEU 32 HG LEU 32 0.204 -1.095 4.188 205 HD11 LEU 32 1HD1 LEU 32 2.108 1.181 4.859 206 HD12 LEU 32 2HD1 LEU 32 1.910 -0.331 5.750 207 HD13 LEU 32 3HD1 LEU 32 0.593 0.850 5.728 208 HD21 LEU 32 3HD2 LEU 32 -0.536 0.250 2.296 209 HD22 LEU 32 1HD2 LEU 32 0.594 1.557 2.735 210 HD23 LEU 32 2HD2 LEU 32 -0.793 1.157 3.777 211 H LEU 33 H LEU 33 -0.787 -1.711 0.937 212 HA LEU 33 HA LEU 33 -1.702 -4.019 2.468 213 HB3 LEU 33 2HB LEU 33 -3.402 -4.054 0.416 214 HG LEU 33 HG LEU 33 -3.299 -1.925 2.576 215 HD11 LEU 33 1HD1 LEU 33 -4.487 -1.038 0.617 216 HD12 LEU 33 2HD1 LEU 33 -5.537 -1.262 1.973 217 HD13 LEU 33 3HD1 LEU 33 -5.576 -2.424 0.622 218 HD21 LEU 33 3HD2 LEU 33 -3.843 -4.229 3.365 219 HD22 LEU 33 1HD2 LEU 33 -5.110 -4.351 2.121 220 HD23 LEU 33 2HD2 LEU 33 -5.280 -3.180 3.442 221 H GLY 34 H GLY 34 0.097 -3.553 -0.593 222 HA2 GLY 34 1HA GLY 34 -0.235 -6.124 -1.610 223 HA3 GLY 34 2HA GLY 34 1.182 -5.082 -1.846 224 H GLU 35 H GLU 35 1.946 -4.938 1.007 225 HA GLU 35 HA GLU 35 3.512 -7.328 1.172 226 HB3 GLU 35 2HB GLU 35 4.330 -6.442 3.263 227 HG3 GLU 35 2HG GLU 35 3.758 -3.953 1.642 228 H TRP 36 H TRP 36 0.339 -6.496 2.373 229 HA TRP 36 HA TRP 36 0.095 -8.781 4.200 230 HB3 TRP 36 2HB TRP 36 -1.883 -6.792 3.060 231 HD1 TRP 36 HD TRP 36 -1.905 -9.458 5.894 232 HE1 TRP 36 1HE TRP 36 -4.277 -10.353 6.142 233 HE3 TRP 36 3HE TRP 36 -4.159 -6.664 2.260 234 HZ2 TRP 36 2HZ TRP 36 -6.867 -9.966 4.818 235 HZ3 TRP 36 3HZ TRP 36 -6.524 -7.119 1.625 236 HH2 TRP 36 HH TRP 36 -7.891 -8.712 2.941 237 H ALA 37 H ALA 37 -1.418 -7.973 1.028 238 HA ALA 37 HA ALA 37 -2.476 -10.555 0.524 239 HB1 ALA 37 1HB ALA 37 -1.533 -8.486 -1.520 240 HB2 ALA 37 2HB ALA 37 -2.711 -9.788 -1.788 241 HB3 ALA 37 3HB ALA 37 -3.111 -8.459 -0.692 242 H ALA 38 H ALA 38 0.709 -9.410 -0.657 243 HA ALA 38 HA ALA 38 1.470 -11.695 -2.034 244 HB1 ALA 38 1HB ALA 38 2.837 -9.638 -1.873 245 HB2 ALA 38 2HB ALA 38 3.164 -9.987 -0.156 246 HB3 ALA 38 3HB ALA 38 3.731 -11.100 -1.418 247 H GLY 39 H GLY 39 1.781 -11.136 1.514 248 HA2 GLY 39 1HA GLY 39 2.956 -13.625 2.180 249 HA3 GLY 39 2HA GLY 39 2.145 -12.498 3.270 250 H LEU 40 H LEU 40 -0.239 -13.056 1.149 251 HA LEU 40 HA LEU 40 -1.358 -15.471 2.519 252 HB3 LEU 40 2HB LEU 40 -3.516 -14.623 1.545 253 HG LEU 40 HG LEU 40 -2.346 -12.282 3.045 254 HD11 LEU 40 1HD1 LEU 40 -4.574 -11.972 3.773 255 HD12 LEU 40 2HD1 LEU 40 -5.079 -13.606 3.242 256 HD13 LEU 40 3HD1 LEU 40 -4.694 -12.364 2.061 257 HD21 LEU 40 3HD2 LEU 40 -3.019 -13.406 5.181 258 HD22 LEU 40 1HD2 LEU 40 -1.614 -14.141 4.412 259 HD23 LEU 40 2HD2 LEU 40 -3.204 -14.934 4.283 260 H LEU 41 H LEU 41 -0.910 -13.877 -0.634 261 HA LEU 41 HA LEU 41 -1.967 -15.860 -2.299 262 HB3 LEU 41 2HB LEU 41 -0.125 -14.600 -3.890 263 HG LEU 41 HG LEU 41 -2.712 -14.614 -3.742 264 HD11 LEU 41 1HD1 LEU 41 -2.113 -11.820 -2.705 265 HD12 LEU 41 2HD1 LEU 41 -2.926 -13.119 -1.793 266 HD13 LEU 41 3HD1 LEU 41 -3.702 -12.425 -3.225 267 HD21 LEU 41 3HD2 LEU 41 -2.749 -12.719 -5.413 268 HD22 LEU 41 1HD2 LEU 41 -1.475 -13.903 -5.726 269 HD23 LEU 41 2HD2 LEU 41 -1.052 -12.378 -4.930 270 H GLY 42 H GLY 42 0.927 -16.001 -0.640 271 HA2 GLY 42 1HA GLY 42 2.258 -18.000 -0.504 272 HA3 GLY 42 2HA GLY 42 1.653 -18.505 -2.091 273 H LYS 43 H LYS 43 2.883 -15.264 -1.283 274 HA LYS 43 HA LYS 43 5.334 -15.746 -2.894 275 HB3 LYS 43 2HB LYS 43 5.219 -13.489 -3.652 276 HG3 LYS 43 2HG LYS 43 2.290 -14.338 -3.712 277 HD3 LYS 43 2HD LYS 43 4.006 -12.746 -5.660 278 HE3 LYS 43 2HE LYS 43 1.221 -12.349 -6.059 279 HZ1 LYS 43 3HZ LYS 43 1.575 -13.279 -8.129 280 HZ2 LYS 43 1HZ LYS 43 2.924 -14.139 -7.668 281 HZ3 LYS 43 2HZ LYS 43 2.981 -12.501 -7.773 282 H THR 44 H THR 44 7.238 -15.072 -1.814 283 HA THR 44 HA THR 44 7.040 -13.203 0.442 284 HB THR 44 HB THR 44 8.769 -14.664 1.647 285 HG1 THR 44 1HG THR 44 8.723 -16.817 1.204 286 HG21 THR 44 3HG2 THR 44 6.383 -14.379 2.417 287 HG22 THR 44 1HG2 THR 44 7.122 -15.921 2.875 288 HG23 THR 44 2HG2 THR 44 5.975 -15.864 1.522 289 H GLY 45 H GLY 45 9.396 -12.511 0.962 290 HA2 GLY 45 1HA GLY 45 11.299 -11.588 0.248 291 HA3 GLY 45 2HA GLY 45 11.445 -12.996 -0.834 292 H ASP 46 H ASP 46 12.257 -11.925 -2.637 293 HA ASP 46 HA ASP 46 11.419 -9.402 -3.549 294 HB3 ASP 46 2HB ASP 46 12.528 -11.584 -5.343 295 H ASP 47 H ASP 47 10.105 -12.616 -4.228 296 HA ASP 47 HA ASP 47 8.418 -12.071 -6.420 297 HB3 ASP 47 2HB ASP 47 7.558 -13.904 -4.295 298 H ALA 48 H ALA 48 7.842 -11.861 -2.973 299 HA ALA 48 HA ALA 48 5.125 -10.821 -3.078 300 HB1 ALA 48 1HB ALA 48 7.307 -10.728 -0.932 301 HB2 ALA 48 2HB ALA 48 5.699 -10.080 -0.689 302 HB3 ALA 48 3HB ALA 48 5.918 -11.810 -1.005 303 H ARG 49 H ARG 49 8.364 -9.307 -2.853 304 HA ARG 49 HA ARG 49 7.515 -6.648 -2.525 305 HB3 ARG 49 2HB ARG 49 9.994 -7.043 -4.104 306 HG3 ARG 49 2HG ARG 49 9.584 -6.108 -1.232 307 HD3 ARG 49 2HD ARG 49 11.501 -5.451 -3.466 308 HE ARG 49 HE ARG 49 11.178 -4.092 -0.838 309 HH11 ARG 49 1HH1 ARG 49 13.365 -4.522 -3.603 310 HH12 ARG 49 2HH1 ARG 49 13.989 -2.886 -3.471 311 HH21 ARG 49 1HH2 ARG 49 12.083 -1.911 -0.708 312 HH22 ARG 49 2HH2 ARG 49 13.362 -1.533 -1.830 313 H ALA 50 H ALA 50 8.368 -8.355 -5.535 314 HA ALA 50 HA ALA 50 7.886 -6.345 -7.417 315 HB1 ALA 50 1HB ALA 50 7.594 -9.367 -7.651 316 HB2 ALA 50 2HB ALA 50 7.795 -8.224 -9.005 317 HB3 ALA 50 3HB ALA 50 9.101 -8.450 -7.816 318 H TYR 51 H TYR 51 5.676 -8.969 -6.271 319 HA TYR 51 HA TYR 51 3.415 -8.088 -7.808 320 HB3 TYR 51 2HB TYR 51 3.753 -9.749 -5.291 321 HD1 TYR 51 2HD TYR 51 1.345 -9.718 -8.222 322 HD2 TYR 51 1HD TYR 51 1.919 -9.701 -3.963 323 HE1 TYR 51 2HE TYR 51 -1.115 -9.950 -7.900 324 HE2 TYR 51 1HE TYR 51 -0.507 -9.984 -3.606 325 HH TYR 51 HH TYR 51 -2.803 -10.566 -6.237 326 H ALA 52 H ALA 52 4.516 -7.212 -4.483 327 HA ALA 52 HA ALA 52 2.256 -5.594 -3.934 328 HB1 ALA 52 1HB ALA 52 3.750 -6.390 -2.193 329 HB2 ALA 52 2HB ALA 52 5.081 -5.409 -2.827 330 HB3 ALA 52 3HB ALA 52 3.639 -4.623 -2.148 331 H LEU 53 H LEU 53 4.810 -4.952 -6.219 332 HA LEU 53 HA LEU 53 4.627 -2.050 -6.146 333 HB3 LEU 53 2HB LEU 53 5.741 -2.036 -8.249 334 HG LEU 53 HG LEU 53 6.841 -4.537 -6.942 335 HD11 LEU 53 1HD1 LEU 53 8.908 -4.008 -8.145 336 HD12 LEU 53 2HD1 LEU 53 8.130 -2.584 -8.871 337 HD13 LEU 53 3HD1 LEU 53 7.551 -4.218 -9.259 338 HD21 LEU 53 3HD2 LEU 53 8.527 -3.202 -5.882 339 HD22 LEU 53 1HD2 LEU 53 6.918 -2.765 -5.319 340 HD23 LEU 53 2HD2 LEU 53 7.763 -1.704 -6.486 341 H THR 54 H THR 54 2.689 -4.689 -7.650 342 HA THR 54 HA THR 54 1.408 -2.753 -9.454 343 HB THR 54 HB THR 54 0.320 -4.830 -10.373 344 HG1 THR 54 1HG THR 54 0.654 -6.618 -9.328 345 HG21 THR 54 3HG2 THR 54 2.310 -3.790 -11.389 346 HG22 THR 54 1HG2 THR 54 2.491 -5.551 -11.415 347 HG23 THR 54 2HG2 THR 54 3.369 -4.626 -10.220 348 H VAL 55 H VAL 55 0.773 -4.221 -6.376 349 HA VAL 55 HA VAL 55 -2.028 -3.613 -6.236 350 HB VAL 55 HB VAL 55 0.061 -4.073 -4.062 351 HG11 VAL 55 1HG1 VAL 55 -1.863 -4.544 -2.579 352 HG12 VAL 55 2HG1 VAL 55 -1.920 -2.874 -3.152 353 HG13 VAL 55 3HG1 VAL 55 -2.988 -4.092 -3.865 354 HG21 VAL 55 3HG2 VAL 55 -0.198 -6.069 -5.446 355 HG22 VAL 55 1HG2 VAL 55 -1.091 -6.329 -3.946 356 HG23 VAL 55 2HG2 VAL 55 -1.970 -5.914 -5.424 357 H VAL 56 H VAL 56 -2.128 -1.614 -7.159 358 HA VAL 56 HA VAL 56 -2.384 0.192 -4.916 359 HB VAL 56 HB VAL 56 -1.608 1.435 -7.594 360 HG11 VAL 56 1HG1 VAL 56 -2.078 2.653 -4.814 361 HG12 VAL 56 2HG1 VAL 56 -1.565 3.543 -6.264 362 HG13 VAL 56 3HG1 VAL 56 -3.164 2.822 -6.220 363 HG21 VAL 56 3HG2 VAL 56 0.415 0.490 -6.518 364 HG22 VAL 56 1HG2 VAL 56 0.421 2.250 -6.428 365 HG23 VAL 56 2HG2 VAL 56 -0.019 1.294 -4.994 366 H THR 57 H THR 57 -4.465 0.984 -4.853 367 HA THR 57 HA THR 57 -6.262 1.070 -7.084 368 HB THR 57 HB THR 57 -7.980 -0.311 -5.907 369 HG1 THR 57 1HG THR 57 -5.754 -0.857 -4.229 370 HG21 THR 57 3HG2 THR 57 -7.230 -2.519 -6.347 371 HG22 THR 57 1HG2 THR 57 -5.528 -2.075 -6.228 372 HG23 THR 57 2HG2 THR 57 -6.519 -1.500 -7.608 373 H SER 58 H SER 58 -8.342 2.106 -6.228 374 HA SER 58 HA SER 58 -8.542 3.046 -3.516 375 HB3 SER 58 2HB SER 58 -8.888 5.479 -4.573 376 HG SER 58 HG SER 58 -6.923 6.132 -4.027 377 H ASP 59 H ASP 59 -10.685 2.016 -3.581 378 HA ASP 59 HA ASP 59 -12.550 3.894 -4.594 379 HB3 ASP 59 2HB ASP 59 -13.168 1.210 -5.816 380 H PHE 60 H PHE 60 -11.947 3.186 -2.056 381 HA PHE 60 HA PHE 60 -14.504 1.971 -1.109 382 HB3 PHE 60 2HB PHE 60 -12.223 1.478 0.685 383 HD1 PHE 60 1HD PHE 60 -15.096 1.136 1.349 384 HD2 PHE 60 2HD PHE 60 -12.368 -1.567 -0.626 385 HE1 PHE 60 1HE PHE 60 -16.430 -0.787 2.127 386 HE2 PHE 60 2HE PHE 60 -13.709 -3.490 0.197 387 HZ PHE 60 HZ PHE 60 -15.765 -3.093 1.524 388 H ASP 61 H ASP 61 -12.300 4.601 -0.985 389 HA ASP 61 HA ASP 61 -12.886 5.580 1.689 390 HB3 ASP 61 2HB ASP 61 -12.312 7.856 0.602 391 H GLU 62 H GLU 62 -14.818 5.288 -1.184 392 HA GLU 62 HA GLU 62 -16.793 7.282 -0.334 393 HB3 GLU 62 2HB GLU 62 -15.114 8.458 -1.654 394 HG3 GLU 62 2HG GLU 62 -15.783 6.732 -4.050 395 HA PRO 63 HA PRO 63 -19.438 4.191 -1.222 396 HB3 PRO 63 2HB PRO 63 -21.102 5.603 -0.517 397 HG3 PRO 63 2HG PRO 63 -21.276 7.839 -1.347 398 HD3 PRO 63 2HD PRO 63 -19.072 7.589 -0.540 399 H GLY 64 H GLY 64 -18.625 2.765 -2.688 400 HA2 GLY 64 1HA GLY 64 -19.037 3.189 -5.600 401 HA3 GLY 64 2HA GLY 64 -17.835 2.154 -4.832 402 H ASP 65 H ASP 65 -19.123 0.993 -6.877 403 HA ASP 65 HA ASP 65 -21.391 -0.597 -5.868 404 HB3 ASP 65 2HB ASP 65 -21.744 0.351 -8.082 405 H GLU 66 H GLU 66 -18.593 -1.554 -7.979 406 HA GLU 66 HA GLU 66 -17.329 -2.948 -5.777 407 HB3 GLU 66 2HB GLU 66 -18.352 -4.756 -7.981 408 HG3 GLU 66 2HG GLU 66 -17.990 -5.006 -4.955 409 H ASP 67 H ASP 67 -15.684 -1.522 -6.498 410 HA ASP 67 HA ASP 67 -14.578 -2.165 -9.156 411 HB3 ASP 67 2HB ASP 67 -13.653 0.345 -7.923 412 H VAL 68 H VAL 68 -13.326 -1.205 -5.916 413 HA VAL 68 HA VAL 68 -10.746 -2.458 -6.556 414 HB VAL 68 HB VAL 68 -10.622 -0.431 -5.338 415 HG11 VAL 68 1HG1 VAL 68 -12.251 -1.629 -3.052 416 HG12 VAL 68 2HG1 VAL 68 -11.488 -0.034 -3.105 417 HG13 VAL 68 3HG1 VAL 68 -12.830 -0.401 -4.190 418 HG21 VAL 68 3HG2 VAL 68 -10.019 -2.662 -3.343 419 HG22 VAL 68 1HG2 VAL 68 -9.020 -2.276 -4.748 420 HG23 VAL 68 2HG2 VAL 68 -9.242 -1.069 -3.463 421 H PHE 69 H PHE 69 -13.455 -3.060 -4.221 422 HA PHE 69 HA PHE 69 -12.240 -5.321 -3.003 423 HB3 PHE 69 2HB PHE 69 -15.088 -4.347 -3.245 424 HD1 PHE 69 1HD PHE 69 -13.828 -6.516 -0.511 425 HD2 PHE 69 2HD PHE 69 -16.308 -6.295 -4.021 426 HE1 PHE 69 1HE PHE 69 -14.906 -8.707 0.057 427 HE2 PHE 69 2HE PHE 69 -17.382 -8.423 -3.427 428 HZ PHE 69 HZ PHE 69 -16.642 -9.652 -1.388 429 H ARG 70 H ARG 70 -14.196 -5.051 -5.934 430 HA ARG 70 HA ARG 70 -14.626 -7.703 -6.595 431 HB3 ARG 70 2HB ARG 70 -13.695 -5.478 -8.473 432 HG3 ARG 70 2HG ARG 70 -13.934 -7.767 -9.565 433 HD3 ARG 70 2HD ARG 70 -16.750 -7.460 -8.455 434 HE ARG 70 HE ARG 70 -16.436 -9.598 -10.331 435 HH11 ARG 70 1HH1 ARG 70 -17.642 -6.286 -9.839 436 HH12 ARG 70 2HH1 ARG 70 -18.461 -6.197 -11.353 437 HH21 ARG 70 1HH2 ARG 70 -17.553 -9.472 -12.358 438 HH22 ARG 70 2HH2 ARG 70 -18.356 -8.003 -12.808 439 H LYS 71 H LYS 71 -11.633 -5.849 -7.361 440 HA LYS 71 HA LYS 71 -10.422 -8.237 -8.556 441 HB3 LYS 71 2HB LYS 71 -8.347 -6.629 -8.456 442 HG3 LYS 71 2HG LYS 71 -9.335 -7.131 -10.574 443 HD3 LYS 71 2HD LYS 71 -11.459 -5.068 -9.864 444 HE3 LYS 71 2HE LYS 71 -10.603 -6.279 -12.526 445 HZ1 LYS 71 3HZ LYS 71 -12.949 -6.363 -12.506 446 HZ2 LYS 71 1HZ LYS 71 -12.526 -5.034 -13.377 447 HZ3 LYS 71 2HZ LYS 71 -13.103 -4.857 -11.847 448 H LEU 72 H LEU 72 -10.140 -6.443 -5.436 449 HA LEU 72 HA LEU 72 -7.936 -7.943 -4.573 450 HB3 LEU 72 2HB LEU 72 -9.685 -7.071 -2.357 451 HG LEU 72 HG LEU 72 -7.130 -5.774 -3.375 452 HD11 LEU 72 1HD1 LEU 72 -6.919 -5.007 -1.050 453 HD12 LEU 72 2HD1 LEU 72 -8.394 -5.914 -0.601 454 HD13 LEU 72 3HD1 LEU 72 -8.479 -4.526 -1.717 455 HD21 LEU 72 3HD2 LEU 72 -6.629 -8.167 -2.962 456 HD22 LEU 72 1HD2 LEU 72 -7.277 -8.012 -1.318 457 HD23 LEU 72 2HD2 LEU 72 -5.825 -7.105 -1.807 458 H ALA 73 H ALA 73 -11.466 -8.479 -3.998 459 HA ALA 73 HA ALA 73 -11.100 -10.828 -2.377 460 HB1 ALA 73 1HB ALA 73 -13.532 -11.084 -2.592 461 HB2 ALA 73 2HB ALA 73 -13.147 -9.415 -2.220 462 HB3 ALA 73 3HB ALA 73 -13.577 -9.872 -3.882 463 H ALA 74 H ALA 74 -10.903 -10.293 -5.810 464 HA ALA 74 HA ALA 74 -11.286 -13.102 -6.492 465 HB1 ALA 74 1HB ALA 74 -10.038 -10.807 -8.079 466 HB2 ALA 74 2HB ALA 74 -10.344 -12.433 -8.678 467 HB3 ALA 74 3HB ALA 74 -11.708 -11.405 -8.198 468 H ASP 75 H ASP 75 -8.476 -10.882 -6.038 469 HA ASP 75 HA ASP 75 -6.413 -12.840 -6.437 470 HB3 ASP 75 2HB ASP 75 -5.290 -11.005 -4.717 471 H LEU 76 H LEU 76 -8.462 -12.142 -3.732 472 HA LEU 76 HA LEU 76 -7.060 -14.175 -2.041 473 HB3 LEU 76 2HB LEU 76 -8.102 -13.067 -0.089 474 HG LEU 76 HG LEU 76 -6.604 -10.994 -1.716 475 HD11 LEU 76 1HD1 LEU 76 -6.322 -9.846 0.267 476 HD12 LEU 76 2HD1 LEU 76 -6.602 -11.281 1.298 477 HD13 LEU 76 3HD1 LEU 76 -7.950 -10.464 0.528 478 HD21 LEU 76 3HD2 LEU 76 -5.595 -13.204 0.145 479 HD22 LEU 76 1HD2 LEU 76 -4.609 -11.840 -0.444 480 HD23 LEU 76 2HD2 LEU 76 -5.256 -13.032 -1.583 481 H GLU 77 H GLU 77 -9.017 -14.779 -4.149 482 HA GLU 77 HA GLU 77 -11.500 -15.569 -2.962 483 HB3 GLU 77 2HB GLU 77 -9.861 -16.779 -5.221 484 HG3 GLU 77 2HG GLU 77 -12.768 -17.249 -4.437 485 H GLY 78 H GLY 78 -11.712 -16.788 -1.276 486 HA2 GLY 78 1HA GLY 78 -11.639 -18.791 -0.090 487 HA3 GLY 78 2HA GLY 78 -10.078 -19.178 -0.791 488 H LYS 79 H LYS 79 -9.548 -16.063 0.048 489 HA LYS 79 HA LYS 79 -8.439 -16.878 2.721 490 HB3 LYS 79 2HB LYS 79 -6.387 -15.669 2.072 491 HG3 LYS 79 2HG LYS 79 -7.377 -18.114 0.865 492 HD3 LYS 79 2HD LYS 79 -6.706 -16.613 -1.233 493 HE3 LYS 79 2HE LYS 79 -4.396 -16.384 0.232 494 HZ1 LYS 79 3HZ LYS 79 -4.059 -18.869 -0.296 495 HZ2 LYS 79 1HZ LYS 79 -2.813 -17.837 -0.552 496 HZ3 LYS 79 2HZ LYS 79 -3.712 -18.341 -1.830 497 H ALA 80 H ALA 80 -10.636 -14.722 1.520 498 HA ALA 80 HA ALA 80 -10.357 -13.153 3.955 499 HB1 ALA 80 1HB ALA 80 -10.319 -11.748 1.237 500 HB2 ALA 80 2HB ALA 80 -10.409 -10.959 2.832 501 HB3 ALA 80 3HB ALA 80 -8.947 -11.841 2.371 502 H ASP 81 H ASP 81 -12.235 -11.476 3.980 503 HA ASP 81 HA ASP 81 -14.667 -12.249 2.558 504 HB3 ASP 81 2HB ASP 81 -15.977 -12.202 4.641 505 H GLU 82 H GLU 82 -16.304 -10.394 3.150 506 HA GLU 82 HA GLU 82 -15.151 -8.004 2.247 507 HB3 GLU 82 2HB GLU 82 -17.432 -7.048 3.220 508 HG3 GLU 82 2HG GLU 82 -17.193 -9.032 0.941 509 H GLU 83 H GLU 83 -16.070 -8.906 5.585 510 HA GLU 83 HA GLU 83 -15.458 -6.219 6.557 511 HB3 GLU 83 2HB GLU 83 -15.871 -7.200 8.818 512 HG3 GLU 83 2HG GLU 83 -18.204 -7.857 7.017 513 H THR 84 H THR 84 -13.582 -9.041 5.936 514 HA THR 84 HA THR 84 -11.328 -8.242 7.617 515 HB THR 84 HB THR 84 -11.570 -10.091 5.208 516 HG1 THR 84 1HG THR 84 -11.536 -11.714 6.799 517 HG21 THR 84 3HG2 THR 84 -9.263 -9.838 7.147 518 HG22 THR 84 1HG2 THR 84 -9.248 -9.285 5.456 519 HG23 THR 84 2HG2 THR 84 -9.421 -11.002 5.819 520 H ILE 85 H ILE 85 -12.211 -7.984 4.125 521 HA ILE 85 HA ILE 85 -9.881 -6.574 3.364 522 HB ILE 85 HB ILE 85 -12.657 -6.732 2.089 523 HG13 ILE 85 2HG1 ILE 85 -11.101 -8.846 2.525 524 HG21 ILE 85 1HG2 ILE 85 -11.591 -4.811 1.105 525 HG22 ILE 85 2HG2 ILE 85 -10.048 -5.674 0.947 526 HG23 ILE 85 3HG2 ILE 85 -11.441 -6.136 -0.053 527 HD11 ILE 85 3HD1 ILE 85 -13.053 -8.951 1.090 528 HD12 ILE 85 1HD1 ILE 85 -12.104 -8.316 -0.283 529 HD13 ILE 85 2HD1 ILE 85 -11.713 -9.890 0.438 530 H ARG 86 H ARG 86 -13.192 -5.285 3.971 531 HA ARG 86 HA ARG 86 -12.528 -2.611 3.444 532 HB3 ARG 86 2HB ARG 86 -14.819 -3.713 3.690 533 HG3 ARG 86 2HG ARG 86 -14.144 -4.197 6.339 534 HD3 ARG 86 2HD ARG 86 -14.663 -1.487 6.457 535 HE ARG 86 HE ARG 86 -17.118 -2.627 5.882 536 HH11 ARG 86 1HH1 ARG 86 -16.138 -0.262 8.234 537 HH12 ARG 86 2HH1 ARG 86 -17.581 -0.352 9.187 538 HH21 ARG 86 1HH2 ARG 86 -19.043 -2.695 6.907 539 HH22 ARG 86 2HH2 ARG 86 -19.350 -1.837 8.368 540 H ALA 87 H ALA 87 -11.874 -4.511 6.318 541 HA ALA 87 HA ALA 87 -11.375 -2.202 8.024 542 HB1 ALA 87 1HB ALA 87 -12.253 -4.299 8.982 543 HB2 ALA 87 2HB ALA 87 -10.813 -5.180 8.443 544 HB3 ALA 87 3HB ALA 87 -10.664 -3.910 9.667 545 H LYS 88 H LYS 88 -9.462 -4.660 6.224 546 HA LYS 88 HA LYS 88 -7.054 -4.295 7.601 547 HB3 LYS 88 2HB LYS 88 -6.349 -4.940 4.924 548 HG3 LYS 88 2HG LYS 88 -5.574 -5.934 7.195 549 HD3 LYS 88 2HD LYS 88 -6.760 -8.338 7.215 550 HE3 LYS 88 2HE LYS 88 -8.397 -7.734 8.972 551 HZ1 LYS 88 3HZ LYS 88 -5.913 -7.924 9.406 552 HZ2 LYS 88 1HZ LYS 88 -6.807 -7.092 10.540 553 HZ3 LYS 88 2HZ LYS 88 -5.914 -6.273 9.478 554 H MET 89 H MET 89 -8.270 -2.636 4.711 555 HA MET 89 HA MET 89 -5.927 -1.139 4.171 556 HB3 MET 89 2HB MET 89 -7.173 0.138 2.717 557 HG3 MET 89 2HG MET 89 -9.102 -2.182 2.807 558 HE1 MET 89 3HE MET 89 -9.082 -3.400 0.241 559 HE2 MET 89 1HE MET 89 -10.571 -2.603 0.779 560 HE3 MET 89 2HE MET 89 -9.986 -2.354 -0.884 561 H VAL 90 H VAL 90 -8.662 -0.382 6.389 562 HA VAL 90 HA VAL 90 -7.917 2.321 6.908 563 HB VAL 90 HB VAL 90 -9.598 0.372 8.538 564 HG11 VAL 90 1HG1 VAL 90 -8.966 2.382 9.855 565 HG12 VAL 90 2HG1 VAL 90 -9.618 3.419 8.570 566 HG13 VAL 90 3HG1 VAL 90 -10.683 2.335 9.494 567 HG21 VAL 90 3HG2 VAL 90 -11.556 1.296 7.460 568 HG22 VAL 90 1HG2 VAL 90 -10.570 2.426 6.514 569 HG23 VAL 90 2HG2 VAL 90 -10.474 0.682 6.206 570 H GLU 91 H GLU 91 -7.015 -0.817 8.397 571 HA GLU 91 HA GLU 91 -5.852 0.112 10.794 572 HB3 GLU 91 2HB GLU 91 -4.408 -1.930 10.593 573 HG3 GLU 91 2HG GLU 91 -7.294 -2.492 9.840 574 H LEU 92 H LEU 92 -4.429 -0.505 7.639 575 HA LEU 92 HA LEU 92 -1.791 0.371 8.230 576 HB3 LEU 92 2HB LEU 92 -1.539 0.085 5.723 577 HG LEU 92 HG LEU 92 -2.932 -2.129 7.277 578 HD11 LEU 92 1HD1 LEU 92 -3.488 -2.412 4.984 579 HD12 LEU 92 2HD1 LEU 92 -2.263 -3.610 5.412 580 HD13 LEU 92 3HD1 LEU 92 -1.789 -2.186 4.467 581 HD21 LEU 92 3HD2 LEU 92 -0.644 -1.562 8.047 582 HD22 LEU 92 1HD2 LEU 92 -0.033 -1.786 6.397 583 HD23 LEU 92 2HD2 LEU 92 -0.703 -3.156 7.293 584 H ARG 93 H ARG 93 -4.466 2.318 7.885 585 HA ARG 93 HA ARG 93 -3.757 4.246 5.973 586 HB3 ARG 93 2HB ARG 93 -5.318 4.533 8.577 587 HG3 ARG 93 2HG ARG 93 -5.358 6.256 6.075 588 HD3 ARG 93 2HD ARG 93 -7.642 5.798 7.020 589 HE ARG 93 HE ARG 93 -6.564 5.952 9.512 590 HH11 ARG 93 1HH1 ARG 93 -8.981 7.993 7.884 591 HH12 ARG 93 2HH1 ARG 93 -9.616 8.632 9.355 592 HH21 ARG 93 1HH2 ARG 93 -7.598 6.553 11.425 593 HH22 ARG 93 2HH2 ARG 93 -8.711 7.880 11.448 594 H ALA 94 H ALA 94 -3.120 4.231 9.476 595 HA ALA 94 HA ALA 94 -1.594 6.653 9.597 596 HB1 ALA 94 1HB ALA 94 -1.616 4.188 11.415 597 HB2 ALA 94 2HB ALA 94 -0.872 5.742 11.807 598 HB3 ALA 94 3HB ALA 94 -2.628 5.644 11.591 599 H THR 95 H THR 95 -0.678 3.192 9.521 600 HA THR 95 HA THR 95 1.973 3.186 9.666 601 HB THR 95 HB THR 95 0.313 1.373 7.878 602 HG1 THR 95 1HG THR 95 -0.107 0.376 10.096 603 HG21 THR 95 3HG2 THR 95 2.458 0.616 9.877 604 HG22 THR 95 1HG2 THR 95 2.755 0.808 8.125 605 HG23 THR 95 2HG2 THR 95 1.649 -0.438 8.707 606 H ALA 96 H ALA 96 0.075 3.360 6.601 607 HA ALA 96 HA ALA 96 2.180 3.363 4.795 608 HB1 ALA 96 1HB ALA 96 -0.278 5.129 4.424 609 HB2 ALA 96 2HB ALA 96 0.604 4.177 3.207 610 HB3 ALA 96 3HB ALA 96 -0.389 3.361 4.405 611 H ARG 97 H ARG 97 1.156 6.050 6.867 612 HA ARG 97 HA ARG 97 2.744 8.041 5.335 613 HB3 ARG 97 2HB ARG 97 1.763 9.660 6.625 614 HG3 ARG 97 2HG ARG 97 -0.452 7.748 7.325 615 HD3 ARG 97 2HD ARG 97 -1.869 9.432 6.217 616 HE ARG 97 HE ARG 97 -0.611 9.888 8.639 617 HH11 ARG 97 1HH1 ARG 97 -1.873 11.990 6.007 618 HH12 ARG 97 2HH1 ARG 97 -2.339 13.243 7.088 619 HH21 ARG 97 1HH2 ARG 97 -1.092 11.674 10.032 620 HH22 ARG 97 2HH2 ARG 97 -1.892 13.061 9.390 621 H GLU 98 H GLU 98 2.899 6.366 8.558 622 HA GLU 98 HA GLU 98 5.283 7.451 9.400 623 HB3 GLU 98 2HB GLU 98 5.263 5.148 10.653 624 HG3 GLU 98 2HG GLU 98 3.146 7.319 10.785 625 H GLN 99 H GLN 99 4.676 4.588 7.357 626 HA GLN 99 HA GLN 99 7.183 3.473 7.257 627 HB3 GLN 99 2HB GLN 99 6.538 2.784 4.874 628 HG3 GLN 99 2HG GLN 99 4.633 2.072 7.138 629 HE21 GLN 99 1HE2 GLN 99 5.233 -0.682 7.055 630 HE22 GLN 99 2HE2 GLN 99 4.909 -1.315 5.499 631 H ILE 100 H ILE 100 6.096 6.239 5.152 632 HA ILE 100 HA ILE 100 8.393 6.203 3.484 633 HB ILE 100 HB ILE 100 6.980 8.711 4.403 634 HG13 ILE 100 2HG1 ILE 100 5.282 8.600 2.786 635 HG21 ILE 100 1HG2 ILE 100 8.927 9.148 3.011 636 HG22 ILE 100 2HG2 ILE 100 8.417 7.992 1.800 637 HG23 ILE 100 3HG2 ILE 100 7.502 9.506 2.040 638 HD11 ILE 100 3HD1 ILE 100 6.543 6.067 1.678 639 HD12 ILE 100 1HD1 ILE 100 4.904 6.634 1.298 640 HD13 ILE 100 2HD1 ILE 100 6.286 7.610 0.810 641 H ILE 101 H ILE 101 7.775 7.802 6.606 642 HA ILE 101 HA ILE 101 10.380 9.083 6.786 643 HB ILE 101 HB ILE 101 8.070 8.685 8.719 644 HG13 ILE 101 2HG1 ILE 101 7.540 10.106 6.747 645 HG21 ILE 101 1HG2 ILE 101 9.150 10.552 10.082 646 HG22 ILE 101 2HG2 ILE 101 10.024 9.023 10.082 647 HG23 ILE 101 3HG2 ILE 101 10.593 10.346 9.057 648 HD11 ILE 101 3HD1 ILE 101 6.554 10.747 8.994 649 HD12 ILE 101 1HD1 ILE 101 7.812 12.011 9.076 650 HD13 ILE 101 2HD1 ILE 101 6.656 12.011 7.742 651 H SER 102 H SER 102 9.375 5.899 7.102 652 HA SER 102 HA SER 102 11.599 5.192 8.955 653 HB3 SER 102 2HB SER 102 9.381 3.327 8.163 654 HG SER 102 HG SER 102 10.662 2.338 9.596 655 H GLU 103 H GLU 103 11.452 5.838 5.916 656 HA GLU 103 HA GLU 103 12.841 3.431 4.903 657 HB3 GLU 103 2HB GLU 103 11.931 4.205 2.610 658 HG3 GLU 103 2HG GLU 103 10.110 2.945 4.655 659 H ILE 104 H ILE 104 13.627 6.006 6.331 660 HA ILE 104 HA ILE 104 15.154 7.451 4.268 661 HB ILE 104 HB ILE 104 14.951 7.915 7.289 662 HG13 ILE 104 2HG1 ILE 104 12.788 8.394 6.020 663 HG21 ILE 104 1HG2 ILE 104 16.083 10.107 6.734 664 HG22 ILE 104 2HG2 ILE 104 17.064 8.709 6.364 665 HG23 ILE 104 3HG2 ILE 104 16.247 9.533 5.044 666 HD11 ILE 104 3HD1 ILE 104 12.328 10.505 7.042 667 HD12 ILE 104 1HD1 ILE 104 13.317 9.547 8.158 668 HD13 ILE 104 2HD1 ILE 104 14.048 10.874 7.233
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