NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
18010 | 2dbm | 10302 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 14.845 -7.191 21.424 2 HA2 GLY 1 1HA GLY 1 16.078 -7.625 19.495 3 HA3 GLY 1 2HA GLY 1 14.574 -7.792 18.601 4 H SER 2 H SER 2 17.109 -6.265 18.084 5 HA SER 2 HA SER 2 16.026 -3.538 17.959 6 HB2 SER 2 1HB SER 2 18.282 -3.914 19.012 7 HB3 SER 2 2HB SER 2 18.871 -4.419 17.428 8 HG SER 2 HG SER 2 19.003 -2.402 16.876 9 H SER 3 H SER 3 14.831 -3.359 16.153 10 HA SER 3 HA SER 3 15.405 -4.717 13.723 11 HB2 SER 3 1HB SER 3 13.150 -3.730 14.606 12 HB3 SER 3 2HB SER 3 13.705 -2.245 13.833 13 HG SER 3 HG SER 3 13.906 -3.457 11.883 14 H GLY 4 H GLY 4 15.860 -1.367 14.809 15 HA2 GLY 4 1HA GLY 4 17.936 -0.256 14.139 16 HA3 GLY 4 2HA GLY 4 17.750 -1.017 12.566 17 H SER 5 H SER 5 15.604 -0.440 11.451 18 HA SER 5 HA SER 5 14.625 2.221 12.066 19 HB2 SER 5 1HB SER 5 15.895 1.671 9.375 20 HB3 SER 5 2HB SER 5 15.203 3.195 9.931 21 HG SER 5 HG SER 5 17.360 3.391 10.250 22 H SER 6 H SER 6 12.568 2.537 11.387 23 HA SER 6 HA SER 6 11.418 0.791 9.359 24 HB2 SER 6 1HB SER 6 10.716 0.713 12.261 25 HB3 SER 6 2HB SER 6 9.419 0.515 11.083 26 HG SER 6 HG SER 6 11.699 -1.094 11.495 27 H GLY 7 H GLY 7 9.626 1.648 8.333 28 HA2 GLY 7 1HA GLY 7 8.862 4.372 9.190 29 HA3 GLY 7 2HA GLY 7 9.089 3.937 7.502 30 HA PRO 8 HA PRO 8 4.576 3.620 8.358 31 HB2 PRO 8 1HB PRO 8 3.830 4.669 5.967 32 HB3 PRO 8 2HB PRO 8 4.222 5.666 7.374 33 HG2 PRO 8 1HG PRO 8 5.924 4.971 5.011 34 HG3 PRO 8 2HG PRO 8 5.730 6.531 5.830 35 HD2 PRO 8 1HD PRO 8 7.855 4.911 6.266 36 HD3 PRO 8 2HD PRO 8 7.182 5.963 7.528 37 H CYS 9 H CYS 9 3.656 1.705 8.020 38 HA CYS 9 HA CYS 9 3.889 0.443 5.388 39 HB2 CYS 9 1HB CYS 9 4.323 -1.755 6.434 40 HB3 CYS 9 2HB CYS 9 5.623 -0.608 6.734 41 HG CYS 9 HG CYS 9 3.172 -1.070 9.054 42 H CYS 10 H CYS 10 2.256 -1.180 4.979 43 HA CYS 10 HA CYS 10 -0.082 -0.980 6.754 44 HB2 CYS 10 1HB CYS 10 -1.563 -0.707 4.910 45 HB3 CYS 10 2HB CYS 10 -0.268 0.463 4.684 46 HG CYS 10 HG CYS 10 0.208 -0.245 2.273 47 H ARG 11 H ARG 11 -1.617 -2.752 6.536 48 HA ARG 11 HA ARG 11 -0.300 -5.235 5.647 49 HB2 ARG 11 1HB ARG 11 -0.476 -5.323 8.012 50 HB3 ARG 11 2HB ARG 11 -2.119 -4.698 7.988 51 HG2 ARG 11 1HG ARG 11 -2.938 -6.754 7.039 52 HG3 ARG 11 2HG ARG 11 -1.294 -7.379 6.897 53 HD2 ARG 11 1HD ARG 11 -2.723 -6.693 9.463 54 HD3 ARG 11 2HD ARG 11 -2.425 -8.316 8.843 55 HE ARG 11 HE ARG 11 -0.227 -8.154 9.526 56 HH11 ARG 11 2HH1 ARG 11 -1.809 -5.067 9.826 57 HH12 ARG 11 1HH1 ARG 11 -0.527 -4.354 10.748 58 HH21 ARG 11 2HH2 ARG 11 1.467 -7.226 10.740 59 HH22 ARG 11 1HH2 ARG 11 1.335 -5.582 11.267 60 H ALA 12 H ALA 12 -1.417 -6.644 4.383 61 HA ALA 12 HA ALA 12 -3.807 -5.641 3.105 62 HB1 ALA 12 1HB ALA 12 -3.483 -7.294 1.479 63 HB2 ALA 12 2HB ALA 12 -1.853 -6.804 1.944 64 HB3 ALA 12 3HB ALA 12 -2.534 -8.306 2.570 65 H LEU 13 H LEU 13 -5.844 -6.274 3.468 66 HA LEU 13 HA LEU 13 -6.342 -8.161 5.616 67 HB2 LEU 13 1HB LEU 13 -8.221 -6.443 4.001 68 HB3 LEU 13 2HB LEU 13 -8.691 -7.443 5.374 69 HG LEU 13 HG LEU 13 -6.682 -5.220 5.628 70 HD11 LEU 13 1HD1 LEU 13 -8.440 -3.924 4.975 71 HD12 LEU 13 2HD1 LEU 13 -8.819 -4.090 6.689 72 HD13 LEU 13 3HD1 LEU 13 -9.648 -5.097 5.502 73 HD21 LEU 13 1HD2 LEU 13 -6.889 -7.030 7.375 74 HD22 LEU 13 2HD2 LEU 13 -8.517 -6.425 7.687 75 HD23 LEU 13 3HD2 LEU 13 -7.121 -5.378 7.948 76 H TYR 14 H TYR 14 -6.364 -8.099 2.188 77 HA TYR 14 HA TYR 14 -7.204 -10.875 2.122 78 HB2 TYR 14 1HB TYR 14 -8.692 -8.709 0.630 79 HB3 TYR 14 2HB TYR 14 -8.848 -10.427 0.280 80 HD1 TYR 14 2HD TYR 14 -9.309 -11.867 2.541 81 HD2 TYR 14 1HD TYR 14 -10.360 -7.792 1.919 82 HE1 TYR 14 2HE TYR 14 -11.057 -12.062 4.259 83 HE2 TYR 14 1HE TYR 14 -12.110 -7.975 3.637 84 HH TYR 14 HH TYR 14 -13.516 -9.896 4.634 85 H ASP 15 H ASP 15 -7.340 -11.419 -0.462 86 HA ASP 15 HA ASP 15 -4.689 -10.654 -1.451 87 HB2 ASP 15 1HB ASP 15 -6.508 -12.945 -2.223 88 HB3 ASP 15 2HB ASP 15 -4.934 -12.628 -2.948 89 H PHE 16 H PHE 16 -4.359 -9.797 -3.475 90 HA PHE 16 HA PHE 16 -6.693 -9.262 -5.155 91 HB2 PHE 16 1HB PHE 16 -6.577 -7.251 -3.876 92 HB3 PHE 16 2HB PHE 16 -4.827 -7.166 -4.045 93 HD1 PHE 16 2HD PHE 16 -7.860 -7.291 -6.216 94 HD2 PHE 16 1HD PHE 16 -3.990 -5.653 -5.546 95 HE1 PHE 16 2HE PHE 16 -8.127 -5.860 -8.199 96 HE2 PHE 16 1HE PHE 16 -4.250 -4.218 -7.527 97 HZ PHE 16 HZ PHE 16 -6.320 -4.321 -8.857 98 H GLU 17 H GLU 17 -6.280 -9.569 -7.250 99 HA GLU 17 HA GLU 17 -3.478 -9.931 -8.053 100 HB2 GLU 17 1HB GLU 17 -6.020 -10.894 -9.377 101 HB3 GLU 17 2HB GLU 17 -4.391 -11.203 -9.963 102 HG2 GLU 17 1HG GLU 17 -5.132 -12.018 -7.194 103 HG3 GLU 17 2HG GLU 17 -5.659 -12.995 -8.563 104 HA PRO 18 HA PRO 18 -3.583 -6.289 -10.520 105 HB2 PRO 18 1HB PRO 18 -1.628 -6.914 -12.297 106 HB3 PRO 18 2HB PRO 18 -1.295 -6.471 -10.618 107 HG2 PRO 18 1HG PRO 18 -1.434 -9.187 -11.869 108 HG3 PRO 18 2HG PRO 18 -0.260 -8.552 -10.702 109 HD2 PRO 18 1HD PRO 18 -2.321 -10.149 -9.972 110 HD3 PRO 18 2HD PRO 18 -1.672 -8.883 -8.911 111 H GLU 19 H GLU 19 -4.839 -5.631 -12.153 112 HA GLU 19 HA GLU 19 -5.701 -7.628 -14.129 113 HB2 GLU 19 1HB GLU 19 -6.979 -5.082 -13.139 114 HB3 GLU 19 2HB GLU 19 -7.560 -5.944 -14.557 115 HG2 GLU 19 1HG GLU 19 -7.624 -7.981 -12.919 116 HG3 GLU 19 2HG GLU 19 -7.671 -6.721 -11.687 117 H ASN 20 H ASN 20 -4.345 -4.407 -13.771 118 HA ASN 20 HA ASN 20 -3.849 -4.359 -16.676 119 HB2 ASN 20 1HB ASN 20 -4.089 -1.929 -14.896 120 HB3 ASN 20 2HB ASN 20 -4.014 -1.966 -16.656 121 HD21 ASN 20 1HD2 ASN 20 -6.029 -1.181 -14.413 122 HD22 ASN 20 2HD2 ASN 20 -7.525 -1.789 -15.029 123 H GLU 21 H GLU 21 -1.853 -3.423 -17.374 124 HA GLU 21 HA GLU 21 0.407 -4.315 -16.095 125 HB2 GLU 21 1HB GLU 21 0.045 -2.030 -18.028 126 HB3 GLU 21 2HB GLU 21 1.628 -2.560 -17.479 127 HG2 GLU 21 1HG GLU 21 1.207 -4.782 -18.394 128 HG3 GLU 21 2HG GLU 21 -0.385 -4.257 -18.939 129 H GLY 22 H GLY 22 1.757 -3.592 -14.537 130 HA2 GLY 22 1HA GLY 22 2.788 -1.894 -13.220 131 HA3 GLY 22 2HA GLY 22 1.400 -0.860 -13.521 132 H GLU 23 H GLU 23 -0.677 -2.569 -12.844 133 HA GLU 23 HA GLU 23 -1.192 -2.154 -10.260 134 HB2 GLU 23 1HB GLU 23 -1.832 -4.634 -11.852 135 HB3 GLU 23 2HB GLU 23 -2.498 -4.332 -10.254 136 HG2 GLU 23 1HG GLU 23 -2.920 -2.708 -12.747 137 HG3 GLU 23 2HG GLU 23 -4.111 -3.670 -11.873 138 H LEU 24 H LEU 24 -0.632 -2.884 -8.275 139 HA LEU 24 HA LEU 24 1.560 -4.840 -8.164 140 HB2 LEU 24 1HB LEU 24 2.128 -2.647 -7.302 141 HB3 LEU 24 2HB LEU 24 0.745 -2.693 -6.211 142 HG LEU 24 HG LEU 24 1.870 -4.716 -5.137 143 HD11 LEU 24 1HD1 LEU 24 3.570 -4.543 -7.260 144 HD12 LEU 24 2HD1 LEU 24 3.916 -5.383 -5.749 145 HD13 LEU 24 3HD1 LEU 24 4.489 -3.733 -5.992 146 HD21 LEU 24 1HD2 LEU 24 2.295 -1.897 -4.826 147 HD22 LEU 24 2HD2 LEU 24 3.756 -2.779 -4.380 148 HD23 LEU 24 3HD2 LEU 24 2.222 -3.159 -3.596 149 H GLY 25 H GLY 25 0.408 -6.749 -8.064 150 HA2 GLY 25 1HA GLY 25 -1.849 -7.162 -6.398 151 HA3 GLY 25 2HA GLY 25 -0.870 -8.420 -7.139 152 H PHE 26 H PHE 26 -2.020 -7.597 -4.301 153 HA PHE 26 HA PHE 26 0.446 -8.225 -2.820 154 HB2 PHE 26 1HB PHE 26 -0.813 -7.302 -0.830 155 HB3 PHE 26 2HB PHE 26 -0.404 -6.126 -2.075 156 HD1 PHE 26 1HD PHE 26 -3.191 -8.473 -1.260 157 HD2 PHE 26 2HD PHE 26 -2.030 -4.617 -2.636 158 HE1 PHE 26 1HE PHE 26 -5.558 -7.817 -1.409 159 HE2 PHE 26 2HE PHE 26 -4.394 -3.954 -2.787 160 HZ PHE 26 HZ PHE 26 -6.162 -5.555 -2.172 161 H LYS 27 H LYS 27 -0.386 -9.184 -0.509 162 HA LYS 27 HA LYS 27 -2.375 -11.268 -0.966 163 HB2 LYS 27 1HB LYS 27 0.545 -11.739 -0.513 164 HB3 LYS 27 2HB LYS 27 -0.620 -12.878 0.147 165 HG2 LYS 27 1HG LYS 27 -0.240 -13.866 -1.857 166 HG3 LYS 27 2HG LYS 27 -1.559 -12.790 -2.325 167 HD2 LYS 27 1HD LYS 27 -0.039 -12.342 -3.986 168 HD3 LYS 27 2HD LYS 27 0.406 -11.112 -2.801 169 HE2 LYS 27 1HE LYS 27 2.143 -12.665 -1.932 170 HE3 LYS 27 2HE LYS 27 1.747 -13.778 -3.241 171 HZ1 LYS 27 1HZ LYS 27 2.837 -11.031 -3.510 172 HZ2 LYS 27 2HZ LYS 27 2.315 -11.974 -4.813 173 HZ3 LYS 27 3HZ LYS 27 3.630 -12.480 -3.877 174 H GLU 28 H GLU 28 -3.567 -11.656 0.801 175 HA GLU 28 HA GLU 28 -3.656 -10.079 3.001 176 HB2 GLU 28 1HB GLU 28 -5.350 -11.790 2.401 177 HB3 GLU 28 2HB GLU 28 -4.272 -13.038 3.009 178 HG2 GLU 28 1HG GLU 28 -4.358 -11.540 5.186 179 HG3 GLU 28 2HG GLU 28 -5.898 -11.048 4.484 180 H GLY 29 H GLY 29 -2.021 -9.534 4.298 181 HA2 GLY 29 1HA GLY 29 -0.871 -10.308 6.342 182 HA3 GLY 29 2HA GLY 29 -0.379 -11.721 5.420 183 H ASP 30 H ASP 30 0.354 -10.414 3.026 184 HA ASP 30 HA ASP 30 3.013 -9.703 3.627 185 HB2 ASP 30 1HB ASP 30 1.314 -9.666 1.172 186 HB3 ASP 30 2HB ASP 30 2.841 -8.789 1.146 187 H ILE 31 H ILE 31 3.856 -7.846 4.291 188 HA ILE 31 HA ILE 31 2.193 -5.496 4.509 189 HB ILE 31 HB ILE 31 5.084 -5.915 5.278 190 HG12 ILE 31 1HG1 ILE 31 3.499 -7.323 6.538 191 HG13 ILE 31 2HG1 ILE 31 4.233 -6.093 7.563 192 HG21 ILE 31 1HG2 ILE 31 3.277 -3.573 5.408 193 HG22 ILE 31 2HG2 ILE 31 4.321 -3.866 6.797 194 HG23 ILE 31 3HG2 ILE 31 5.026 -3.647 5.196 195 HD11 ILE 31 1HD1 ILE 31 1.451 -6.125 6.434 196 HD12 ILE 31 2HD1 ILE 31 1.940 -6.208 8.127 197 HD13 ILE 31 3HD1 ILE 31 2.170 -4.717 7.214 198 H ILE 32 H ILE 32 2.092 -3.893 3.088 199 HA ILE 32 HA ILE 32 4.074 -3.796 0.931 200 HB ILE 32 HB ILE 32 1.406 -2.393 1.127 201 HG12 ILE 32 1HG1 ILE 32 1.051 -4.144 -0.857 202 HG13 ILE 32 2HG1 ILE 32 2.247 -5.047 0.066 203 HG21 ILE 32 1HG2 ILE 32 1.781 -1.463 -0.906 204 HG22 ILE 32 2HG2 ILE 32 3.458 -1.587 -0.377 205 HG23 ILE 32 3HG2 ILE 32 2.782 -2.805 -1.459 206 HD11 ILE 32 1HD1 ILE 32 0.090 -5.764 0.752 207 HD12 ILE 32 2HD1 ILE 32 0.773 -4.799 2.061 208 HD13 ILE 32 3HD1 ILE 32 -0.448 -4.102 0.997 209 H THR 33 H THR 33 5.714 -2.447 1.216 210 HA THR 33 HA THR 33 5.909 -0.456 3.142 211 HB THR 33 HB THR 33 7.384 -0.617 0.506 212 HG1 THR 33 1HG THR 33 7.861 -2.439 1.650 213 HG21 THR 33 1HG2 THR 33 9.104 0.731 1.625 214 HG22 THR 33 2HG2 THR 33 8.066 0.873 3.044 215 HG23 THR 33 3HG2 THR 33 7.574 1.600 1.515 216 H LEU 34 H LEU 34 5.967 1.854 2.950 217 HA LEU 34 HA LEU 34 4.191 2.883 0.836 218 HB2 LEU 34 1HB LEU 34 4.457 3.718 3.716 219 HB3 LEU 34 2HB LEU 34 3.576 4.651 2.509 220 HG LEU 34 HG LEU 34 2.874 1.805 3.190 221 HD11 LEU 34 1HD1 LEU 34 2.632 2.952 5.244 222 HD12 LEU 34 2HD1 LEU 34 1.021 2.858 4.534 223 HD13 LEU 34 3HD1 LEU 34 1.932 4.366 4.455 224 HD21 LEU 34 1HD2 LEU 34 1.007 2.104 1.912 225 HD22 LEU 34 2HD2 LEU 34 2.129 3.155 1.047 226 HD23 LEU 34 3HD2 LEU 34 0.966 3.847 2.178 227 H THR 35 H THR 35 4.971 4.444 -0.426 228 HA THR 35 HA THR 35 7.385 5.883 0.465 229 HB THR 35 HB THR 35 8.135 5.974 -1.868 230 HG1 THR 35 1HG THR 35 6.275 5.792 -3.049 231 HG21 THR 35 1HG2 THR 35 8.238 3.304 -2.127 232 HG22 THR 35 2HG2 THR 35 7.732 3.412 -0.441 233 HG23 THR 35 3HG2 THR 35 9.222 4.195 -0.966 234 H ASN 36 H ASN 36 4.639 6.037 -1.800 235 HA ASN 36 HA ASN 36 4.085 8.754 -1.016 236 HB2 ASN 36 1HB ASN 36 5.374 8.104 -3.628 237 HB3 ASN 36 2HB ASN 36 4.135 9.356 -3.602 238 HD21 ASN 36 1HD2 ASN 36 7.296 8.994 -3.631 239 HD22 ASN 36 2HD2 ASN 36 7.799 10.341 -2.673 240 H GLN 37 H GLN 37 2.230 9.636 -2.464 241 HA GLN 37 HA GLN 37 0.412 7.420 -3.141 242 HB2 GLN 37 1HB GLN 37 -0.319 8.309 -1.033 243 HB3 GLN 37 2HB GLN 37 -0.207 9.959 -1.630 244 HG2 GLN 37 1HG GLN 37 -1.952 9.040 -3.397 245 HG3 GLN 37 2HG GLN 37 -2.294 7.909 -2.088 246 HE21 GLN 37 1HE2 GLN 37 -4.244 8.640 -1.457 247 HE22 GLN 37 2HE2 GLN 37 -4.538 10.221 -0.826 248 H ILE 38 H ILE 38 -0.599 7.558 -5.053 249 HA ILE 38 HA ILE 38 -0.135 9.975 -6.653 250 HB ILE 38 HB ILE 38 -0.833 7.159 -7.483 251 HG12 ILE 38 1HG1 ILE 38 1.422 7.713 -8.794 252 HG13 ILE 38 2HG1 ILE 38 1.643 8.816 -7.441 253 HG21 ILE 38 1HG2 ILE 38 -0.330 8.246 -9.816 254 HG22 ILE 38 2HG2 ILE 38 -1.941 8.338 -9.108 255 HG23 ILE 38 3HG2 ILE 38 -0.852 9.721 -9.003 256 HD11 ILE 38 1HD1 ILE 38 2.581 6.391 -7.343 257 HD12 ILE 38 2HD1 ILE 38 1.839 7.117 -5.916 258 HD13 ILE 38 3HD1 ILE 38 0.924 5.978 -6.904 259 H ASP 39 H ASP 39 -2.679 7.658 -5.788 260 HA ASP 39 HA ASP 39 -4.687 9.555 -6.793 261 HB2 ASP 39 1HB ASP 39 -4.599 7.060 -7.517 262 HB3 ASP 39 2HB ASP 39 -5.298 6.742 -5.931 263 H GLU 40 H GLU 40 -6.868 9.158 -5.437 264 HA GLU 40 HA GLU 40 -6.202 10.061 -2.759 265 HB2 GLU 40 1HB GLU 40 -8.733 10.397 -2.631 266 HB3 GLU 40 2HB GLU 40 -7.848 11.397 -3.775 267 HG2 GLU 40 1HG GLU 40 -8.992 8.837 -4.747 268 HG3 GLU 40 2HG GLU 40 -10.089 10.180 -4.432 269 H ASN 41 H ASN 41 -7.034 7.164 -4.282 270 HA ASN 41 HA ASN 41 -7.690 5.955 -1.680 271 HB2 ASN 41 1HB ASN 41 -9.103 5.699 -4.292 272 HB3 ASN 41 2HB ASN 41 -8.990 4.265 -3.276 273 HD21 ASN 41 1HD2 ASN 41 -9.859 7.694 -3.127 274 HD22 ASN 41 2HD2 ASN 41 -11.158 7.493 -2.005 275 H TRP 42 H TRP 42 -5.379 6.198 -3.865 276 HA TRP 42 HA TRP 42 -4.585 3.369 -3.629 277 HB2 TRP 42 1HB TRP 42 -3.933 5.281 -5.882 278 HB3 TRP 42 2HB TRP 42 -3.349 3.626 -5.744 279 HD1 TRP 42 HD TRP 42 -6.813 5.392 -5.876 280 HE1 TRP 42 1HE TRP 42 -8.391 3.919 -7.276 281 HE3 TRP 42 3HE TRP 42 -3.636 1.510 -6.863 282 HZ2 TRP 42 2HZ TRP 42 -8.302 1.438 -8.620 283 HZ3 TRP 42 3HZ TRP 42 -4.461 -0.374 -8.213 284 HH2 TRP 42 HH TRP 42 -6.746 -0.408 -9.072 285 H TYR 43 H TYR 43 -2.230 3.014 -3.602 286 HA TYR 43 HA TYR 43 -0.712 5.308 -2.572 287 HB2 TYR 43 1HB TYR 43 -1.162 2.659 -1.237 288 HB3 TYR 43 2HB TYR 43 0.329 3.548 -0.949 289 HD1 TYR 43 2HD TYR 43 -0.590 6.323 -0.854 290 HD2 TYR 43 1HD TYR 43 -2.391 2.808 0.728 291 HE1 TYR 43 2HE TYR 43 -1.726 7.681 0.853 292 HE2 TYR 43 1HE TYR 43 -3.533 4.156 2.439 293 HH TYR 43 HH TYR 43 -2.761 6.860 3.468 294 H GLU 44 H GLU 44 1.693 4.559 -2.271 295 HA GLU 44 HA GLU 44 2.466 2.813 -4.505 296 HB2 GLU 44 1HB GLU 44 2.583 5.287 -5.084 297 HB3 GLU 44 2HB GLU 44 3.873 5.409 -3.896 298 HG2 GLU 44 1HG GLU 44 4.105 3.343 -6.015 299 HG3 GLU 44 2HG GLU 44 4.372 5.030 -6.451 300 H GLY 45 H GLY 45 4.308 1.603 -4.201 301 HA2 GLY 45 1HA GLY 45 6.160 2.076 -2.083 302 HA3 GLY 45 2HA GLY 45 5.017 0.813 -1.654 303 H MET 46 H MET 46 7.289 -0.238 -1.577 304 HA MET 46 HA MET 46 7.877 -1.380 -4.229 305 HB2 MET 46 1HB MET 46 9.629 -0.570 -1.966 306 HB3 MET 46 2HB MET 46 10.101 -1.993 -2.885 307 HG2 MET 46 1HG MET 46 10.369 -0.778 -4.857 308 HG3 MET 46 2HG MET 46 9.436 0.587 -4.247 309 HE1 MET 46 1HE MET 46 11.636 2.336 -1.794 310 HE2 MET 46 2HE MET 46 11.039 2.907 -3.353 311 HE3 MET 46 3HE MET 46 10.011 1.904 -2.328 312 H LEU 47 H LEU 47 7.485 -3.477 -4.495 313 HA LEU 47 HA LEU 47 7.609 -5.289 -2.211 314 HB2 LEU 47 1HB LEU 47 5.243 -4.388 -2.554 315 HB3 LEU 47 2HB LEU 47 5.227 -5.334 -4.041 316 HG LEU 47 HG LEU 47 5.673 -7.368 -2.631 317 HD11 LEU 47 1HD1 LEU 47 6.184 -5.513 -0.652 318 HD12 LEU 47 2HD1 LEU 47 5.975 -7.249 -0.430 319 HD13 LEU 47 3HD1 LEU 47 4.602 -6.163 -0.220 320 HD21 LEU 47 1HD2 LEU 47 3.188 -5.741 -2.586 321 HD22 LEU 47 2HD2 LEU 47 3.260 -7.176 -1.562 322 HD23 LEU 47 3HD2 LEU 47 3.495 -7.322 -3.305 323 H HIS 48 H HIS 48 8.745 -7.018 -2.764 324 HA HIS 48 HA HIS 48 9.788 -8.624 -3.993 325 HB2 HIS 48 1HB HIS 48 7.150 -8.318 -5.360 326 HB3 HIS 48 2HB HIS 48 8.387 -9.302 -6.137 327 HD1 HIS 48 1HD HIS 48 9.563 -10.864 -3.878 328 HD2 HIS 48 2HD HIS 48 5.494 -10.073 -4.152 329 HE1 HIS 48 1HE HIS 48 8.439 -12.640 -2.498 330 HE2 HIS 48 2HE HIS 48 5.973 -12.192 -2.748 331 H GLY 49 H GLY 49 10.468 -5.865 -4.485 332 HA2 GLY 49 1HA GLY 49 11.906 -4.736 -5.882 333 HA3 GLY 49 2HA GLY 49 12.045 -6.211 -6.828 334 H HIS 50 H HIS 50 8.881 -4.964 -6.302 335 HA HIS 50 HA HIS 50 8.870 -3.839 -9.026 336 HB2 HIS 50 1HB HIS 50 6.745 -5.508 -7.670 337 HB3 HIS 50 2HB HIS 50 6.500 -4.648 -9.187 338 HD1 HIS 50 1HD HIS 50 8.367 -5.387 -11.113 339 HD2 HIS 50 2HD HIS 50 7.572 -8.053 -8.027 340 HE1 HIS 50 1HE HIS 50 9.153 -7.628 -11.941 341 HE2 HIS 50 2HE HIS 50 8.584 -9.239 -10.091 342 H SER 51 H SER 51 8.056 -1.846 -9.250 343 HA SER 51 HA SER 51 6.872 -0.592 -6.871 344 HB2 SER 51 1HB SER 51 7.506 1.561 -7.972 345 HB3 SER 51 2HB SER 51 8.885 0.520 -7.624 346 HG SER 51 HG SER 51 8.932 -0.084 -9.786 347 H GLY 52 H GLY 52 4.719 -0.617 -6.923 348 HA2 GLY 52 1HA GLY 52 3.378 0.473 -9.280 349 HA3 GLY 52 2HA GLY 52 2.917 -1.148 -8.781 350 H PHE 53 H PHE 53 0.888 0.468 -8.822 351 HA PHE 53 HA PHE 53 0.568 1.641 -6.153 352 HB2 PHE 53 1HB PHE 53 -1.528 1.903 -8.261 353 HB3 PHE 53 2HB PHE 53 -1.031 3.054 -7.025 354 HD1 PHE 53 2HD PHE 53 1.858 3.225 -7.489 355 HD2 PHE 53 1HD PHE 53 -1.367 3.054 -10.261 356 HE1 PHE 53 2HE PHE 53 3.227 4.417 -9.151 357 HE2 PHE 53 1HE PHE 53 -0.003 4.244 -11.927 358 HZ PHE 53 HZ PHE 53 2.297 4.929 -11.373 359 H PHE 54 H PHE 54 -1.181 1.104 -4.823 360 HA PHE 54 HA PHE 54 -2.764 -1.239 -5.599 361 HB2 PHE 54 1HB PHE 54 -2.411 -2.166 -3.282 362 HB3 PHE 54 2HB PHE 54 -0.988 -2.203 -4.317 363 HD1 PHE 54 1HD PHE 54 0.598 -0.127 -4.099 364 HD2 PHE 54 2HD PHE 54 -2.213 -1.345 -1.145 365 HE1 PHE 54 1HE PHE 54 1.877 1.090 -2.385 366 HE2 PHE 54 2HE PHE 54 -0.939 -0.130 0.574 367 HZ PHE 54 HZ PHE 54 1.109 1.090 -0.046 368 HA PRO 55 HA PRO 55 -6.145 0.953 -3.855 369 HB2 PRO 55 1HB PRO 55 -7.734 -1.108 -3.082 370 HB3 PRO 55 2HB PRO 55 -7.498 -0.660 -4.775 371 HG2 PRO 55 1HG PRO 55 -6.195 -2.842 -3.193 372 HG3 PRO 55 2HG PRO 55 -6.831 -2.887 -4.848 373 HD2 PRO 55 1HD PRO 55 -4.191 -2.621 -4.309 374 HD3 PRO 55 2HD PRO 55 -4.954 -1.882 -5.731 375 H ILE 56 H ILE 56 -7.059 1.604 -1.901 376 HA ILE 56 HA ILE 56 -5.590 0.738 0.474 377 HB ILE 56 HB ILE 56 -7.443 3.097 0.110 378 HG12 ILE 56 1HG1 ILE 56 -4.436 3.119 0.382 379 HG13 ILE 56 2HG1 ILE 56 -5.250 3.105 -1.179 380 HG21 ILE 56 1HG2 ILE 56 -7.448 2.461 2.403 381 HG22 ILE 56 2HG2 ILE 56 -5.699 2.240 2.409 382 HG23 ILE 56 3HG2 ILE 56 -6.384 3.858 2.253 383 HD11 ILE 56 1HD1 ILE 56 -5.014 5.331 -0.976 384 HD12 ILE 56 2HD1 ILE 56 -6.502 5.179 -0.040 385 HD13 ILE 56 3HD1 ILE 56 -4.946 5.275 0.786 386 H ASN 57 H ASN 57 -8.624 0.355 -1.022 387 HA ASN 57 HA ASN 57 -10.188 -0.047 1.339 388 HB2 ASN 57 1HB ASN 57 -10.605 -0.535 -1.591 389 HB3 ASN 57 2HB ASN 57 -11.727 -1.225 -0.421 390 HD21 ASN 57 1HD2 ASN 57 -12.173 0.805 -2.457 391 HD22 ASN 57 2HD2 ASN 57 -12.756 2.202 -1.624 392 H TYR 58 H TYR 58 -7.659 -1.739 0.292 393 HA TYR 58 HA TYR 58 -8.794 -4.324 1.139 394 HB2 TYR 58 1HB TYR 58 -6.772 -3.653 -0.967 395 HB3 TYR 58 2HB TYR 58 -6.698 -5.216 -0.162 396 HD1 TYR 58 2HD TYR 58 -8.910 -6.593 -0.141 397 HD2 TYR 58 1HD TYR 58 -8.136 -3.386 -2.827 398 HE1 TYR 58 2HE TYR 58 -10.628 -7.466 -1.669 399 HE2 TYR 58 1HE TYR 58 -9.853 -4.249 -4.362 400 HH TYR 58 HH TYR 58 -10.912 -6.566 -4.823 401 H VAL 59 H VAL 59 -6.290 -1.964 1.547 402 HA VAL 59 HA VAL 59 -5.075 -3.626 3.659 403 HB VAL 59 HB VAL 59 -3.005 -2.420 3.362 404 HG11 VAL 59 1HG1 VAL 59 -4.211 -4.046 1.349 405 HG12 VAL 59 2HG1 VAL 59 -3.149 -2.866 0.579 406 HG13 VAL 59 3HG1 VAL 59 -2.516 -3.944 1.824 407 HG21 VAL 59 1HG2 VAL 59 -2.698 -0.559 2.057 408 HG22 VAL 59 2HG2 VAL 59 -4.030 -0.962 0.974 409 HG23 VAL 59 3HG2 VAL 59 -4.364 -0.310 2.578 410 H GLU 60 H GLU 60 -4.193 -2.415 5.511 411 HA GLU 60 HA GLU 60 -5.827 -0.035 6.105 412 HB2 GLU 60 1HB GLU 60 -6.139 -2.328 7.387 413 HB3 GLU 60 2HB GLU 60 -4.743 -1.757 8.289 414 HG2 GLU 60 1HG GLU 60 -7.367 -0.317 7.981 415 HG3 GLU 60 2HG GLU 60 -6.805 -1.172 9.417 416 H ILE 61 H ILE 61 -4.826 1.759 6.832 417 HA ILE 61 HA ILE 61 -1.925 1.782 6.790 418 HB ILE 61 HB ILE 61 -3.917 4.029 7.106 419 HG12 ILE 61 1HG1 ILE 61 -3.976 3.073 4.885 420 HG13 ILE 61 2HG1 ILE 61 -3.146 4.623 4.811 421 HG21 ILE 61 1HG2 ILE 61 -1.066 3.933 7.578 422 HG22 ILE 61 2HG2 ILE 61 -1.477 5.088 6.311 423 HG23 ILE 61 3HG2 ILE 61 -2.219 5.226 7.905 424 HD11 ILE 61 1HD1 ILE 61 -1.690 3.434 3.576 425 HD12 ILE 61 2HD1 ILE 61 -1.041 3.009 5.160 426 HD13 ILE 61 3HD1 ILE 61 -2.133 1.902 4.328 427 H LEU 62 H LEU 62 -1.040 1.012 8.623 428 HA LEU 62 HA LEU 62 -2.183 1.508 11.212 429 HB2 LEU 62 1HB LEU 62 0.567 0.441 10.629 430 HB3 LEU 62 2HB LEU 62 -0.402 0.203 12.082 431 HG LEU 62 HG LEU 62 -1.444 -0.844 9.495 432 HD11 LEU 62 1HD1 LEU 62 -0.118 -2.758 9.496 433 HD12 LEU 62 2HD1 LEU 62 0.497 -2.449 11.119 434 HD13 LEU 62 3HD1 LEU 62 1.034 -1.450 9.768 435 HD21 LEU 62 1HD2 LEU 62 -1.882 -1.194 12.360 436 HD22 LEU 62 2HD2 LEU 62 -1.783 -2.713 11.470 437 HD23 LEU 62 3HD2 LEU 62 -2.966 -1.491 11.000 438 H VAL 63 H VAL 63 0.590 2.705 9.378 439 HA VAL 63 HA VAL 63 0.973 4.777 11.441 440 HB VAL 63 HB VAL 63 2.987 3.529 9.573 441 HG11 VAL 63 1HG1 VAL 63 3.843 5.619 9.493 442 HG12 VAL 63 2HG1 VAL 63 2.999 6.139 10.952 443 HG13 VAL 63 3HG1 VAL 63 4.474 5.181 11.080 444 HG21 VAL 63 1HG2 VAL 63 2.313 3.263 12.411 445 HG22 VAL 63 2HG2 VAL 63 3.167 2.153 11.338 446 HG23 VAL 63 3HG2 VAL 63 4.032 3.493 12.091 447 H ALA 64 H ALA 64 0.224 6.686 10.825 448 HA ALA 64 HA ALA 64 -0.495 7.341 8.179 449 HB1 ALA 64 1HB ALA 64 -0.271 9.765 9.432 450 HB2 ALA 64 2HB ALA 64 -1.692 8.721 9.469 451 HB3 ALA 64 3HB ALA 64 -0.518 8.659 10.784 452 H LEU 65 H LEU 65 0.657 8.109 6.532 453 HA LEU 65 HA LEU 65 3.411 8.241 6.477 454 HB2 LEU 65 1HB LEU 65 1.253 9.363 4.761 455 HB3 LEU 65 2HB LEU 65 2.911 9.889 4.478 456 HG LEU 65 HG LEU 65 2.351 6.966 4.590 457 HD11 LEU 65 1HD1 LEU 65 2.092 8.201 1.935 458 HD12 LEU 65 2HD1 LEU 65 0.730 8.457 3.026 459 HD13 LEU 65 3HD1 LEU 65 1.251 6.818 2.636 460 HD21 LEU 65 1HD2 LEU 65 4.258 8.773 3.125 461 HD22 LEU 65 2HD2 LEU 65 4.085 7.058 2.753 462 HD23 LEU 65 3HD2 LEU 65 4.626 7.563 4.354 463 HA PRO 66 HA PRO 66 4.632 12.024 8.341 464 HB2 PRO 66 1HB PRO 66 6.787 12.685 6.828 465 HB3 PRO 66 2HB PRO 66 6.803 11.356 7.994 466 HG2 PRO 66 1HG PRO 66 6.439 11.266 5.024 467 HG3 PRO 66 2HG PRO 66 7.411 10.210 6.064 468 HD2 PRO 66 1HD PRO 66 4.971 9.493 5.135 469 HD3 PRO 66 2HD PRO 66 5.587 8.957 6.711 470 H HIS 67 H HIS 67 3.830 11.931 4.968 471 HA HIS 67 HA HIS 67 4.152 14.454 4.038 472 HB2 HIS 67 1HB HIS 67 3.114 12.744 2.680 473 HB3 HIS 67 2HB HIS 67 1.707 12.700 3.738 474 HD1 HIS 67 1HD HIS 67 3.310 14.750 1.045 475 HD2 HIS 67 2HD HIS 67 -0.170 14.719 3.315 476 HE1 HIS 67 1HE HIS 67 1.784 16.428 -0.040 477 HE2 HIS 67 2HE HIS 67 -0.282 16.454 1.400 478 H SER 68 H SER 68 3.365 16.452 4.397 479 HA SER 68 HA SER 68 1.326 16.731 6.506 480 HB2 SER 68 1HB SER 68 3.623 18.568 5.792 481 HB3 SER 68 2HB SER 68 2.369 18.954 6.970 482 HG SER 68 HG SER 68 3.039 16.997 8.081 483 H GLY 69 H GLY 69 -0.016 18.705 6.360 484 HA2 GLY 69 1HA GLY 69 -0.597 20.574 4.754 485 HA3 GLY 69 2HA GLY 69 -0.616 19.310 3.533 486 HA PRO 70 HA PRO 70 -4.938 19.884 5.120 487 HB2 PRO 70 1HB PRO 70 -6.085 19.954 2.660 488 HB3 PRO 70 2HB PRO 70 -5.434 21.390 3.458 489 HG2 PRO 70 1HG PRO 70 -4.193 19.669 1.346 490 HG3 PRO 70 2HG PRO 70 -4.214 21.437 1.478 491 HD2 PRO 70 1HD PRO 70 -2.069 19.949 2.194 492 HD3 PRO 70 2HD PRO 70 -2.490 21.470 3.007 493 H SER 71 H SER 71 -6.280 18.213 5.509 494 HA SER 71 HA SER 71 -6.553 16.001 3.693 495 HB2 SER 71 1HB SER 71 -5.669 14.270 5.105 496 HB3 SER 71 2HB SER 71 -4.415 15.498 4.931 497 HG SER 71 HG SER 71 -5.295 14.557 7.159 498 H SER 72 H SER 72 -8.139 14.412 4.460 499 HA SER 72 HA SER 72 -10.511 15.406 5.237 500 HB2 SER 72 1HB SER 72 -10.311 13.104 4.522 501 HB3 SER 72 2HB SER 72 -9.386 12.692 5.966 502 HG SER 72 HG SER 72 -12.110 13.037 5.639 503 H GLY 73 H GLY 73 -10.840 16.804 6.858 504 HA2 GLY 73 1HA GLY 73 -10.517 15.851 9.578 505 HA3 GLY 73 2HA GLY 73 -9.534 17.248 9.163 Start of MODEL 2 1 H1 GLY 1 H GLY 1 1.584 -10.366 13.200 2 HA2 GLY 1 1HA GLY 1 2.806 -8.649 14.321 3 HA3 GLY 1 2HA GLY 1 3.789 -9.891 15.082 4 H SER 2 H SER 2 4.411 -7.450 13.405 5 HA SER 2 HA SER 2 5.896 -8.758 11.231 6 HB2 SER 2 1HB SER 2 6.148 -6.428 10.330 7 HB3 SER 2 2HB SER 2 4.477 -6.982 10.428 8 HG SER 2 HG SER 2 5.793 -5.012 11.887 9 H SER 3 H SER 3 8.098 -8.190 10.861 10 HA SER 3 HA SER 3 9.484 -7.318 13.310 11 HB2 SER 3 1HB SER 3 9.796 -9.721 12.369 12 HB3 SER 3 2HB SER 3 10.793 -8.939 11.142 13 HG SER 3 HG SER 3 11.978 -9.663 13.004 14 H GLY 4 H GLY 4 9.618 -5.133 12.889 15 HA2 GLY 4 1HA GLY 4 11.780 -4.136 11.514 16 HA3 GLY 4 2HA GLY 4 10.457 -4.096 10.358 17 H SER 5 H SER 5 8.581 -2.820 10.866 18 HA SER 5 HA SER 5 7.619 -0.840 11.449 19 HB2 SER 5 1HB SER 5 7.448 -2.085 13.614 20 HB3 SER 5 2HB SER 5 8.955 -1.322 14.123 21 HG SER 5 HG SER 5 6.424 -0.310 14.061 22 H SER 6 H SER 6 10.153 -0.671 10.174 23 HA SER 6 HA SER 6 11.645 1.418 11.519 24 HB2 SER 6 1HB SER 6 13.226 1.228 9.733 25 HB3 SER 6 2HB SER 6 12.720 -0.412 10.138 26 HG SER 6 HG SER 6 11.064 0.089 8.361 27 H GLY 7 H GLY 7 9.382 1.087 8.855 28 HA2 GLY 7 1HA GLY 7 9.135 4.013 8.796 29 HA3 GLY 7 2HA GLY 7 9.427 3.162 7.287 30 HA PRO 8 HA PRO 8 4.825 3.535 8.111 31 HB2 PRO 8 1HB PRO 8 4.232 4.868 5.822 32 HB3 PRO 8 2HB PRO 8 4.685 5.687 7.321 33 HG2 PRO 8 1HG PRO 8 6.365 5.056 4.925 34 HG3 PRO 8 2HG PRO 8 6.301 6.545 5.885 35 HD2 PRO 8 1HD PRO 8 8.255 4.697 6.193 36 HD3 PRO 8 2HD PRO 8 7.656 5.686 7.540 37 H CYS 9 H CYS 9 3.849 1.676 7.635 38 HA CYS 9 HA CYS 9 3.910 0.703 4.876 39 HB2 CYS 9 1HB CYS 9 4.451 -1.046 7.285 40 HB3 CYS 9 2HB CYS 9 4.303 -1.603 5.623 41 HG CYS 9 HG CYS 9 6.956 -0.498 7.209 42 H CYS 10 H CYS 10 2.323 -1.241 4.693 43 HA CYS 10 HA CYS 10 -0.023 -0.788 6.402 44 HB2 CYS 10 1HB CYS 10 -1.503 -0.662 4.550 45 HB3 CYS 10 2HB CYS 10 -0.179 0.436 4.183 46 HG CYS 10 HG CYS 10 0.373 -2.614 2.984 47 H ARG 11 H ARG 11 -1.624 -2.549 6.272 48 HA ARG 11 HA ARG 11 -0.335 -5.127 5.654 49 HB2 ARG 11 1HB ARG 11 -0.608 -4.654 8.097 50 HB3 ARG 11 2HB ARG 11 -2.348 -4.604 7.845 51 HG2 ARG 11 1HG ARG 11 -2.010 -6.976 6.847 52 HG3 ARG 11 2HG ARG 11 -0.488 -6.933 7.738 53 HD2 ARG 11 1HD ARG 11 -2.976 -6.147 9.162 54 HD3 ARG 11 2HD ARG 11 -2.718 -7.858 8.823 55 HE ARG 11 HE ARG 11 -1.414 -6.311 10.807 56 HH11 ARG 11 2HH1 ARG 11 -0.875 -8.881 8.522 57 HH12 ARG 11 1HH1 ARG 11 0.400 -9.608 9.443 58 HH21 ARG 11 2HH2 ARG 11 0.264 -7.259 12.028 59 HH22 ARG 11 1HH2 ARG 11 1.046 -8.685 11.437 60 H ALA 12 H ALA 12 -1.437 -6.548 4.429 61 HA ALA 12 HA ALA 12 -3.866 -5.654 3.160 62 HB1 ALA 12 1HB ALA 12 -2.432 -6.690 1.662 63 HB2 ALA 12 2HB ALA 12 -2.036 -7.993 2.784 64 HB3 ALA 12 3HB ALA 12 -3.617 -7.951 2.003 65 H LEU 13 H LEU 13 -5.901 -6.389 3.470 66 HA LEU 13 HA LEU 13 -6.328 -8.173 5.748 67 HB2 LEU 13 1HB LEU 13 -8.264 -6.420 4.242 68 HB3 LEU 13 2HB LEU 13 -8.647 -7.375 5.673 69 HG LEU 13 HG LEU 13 -6.488 -5.325 5.846 70 HD11 LEU 13 1HD1 LEU 13 -9.213 -4.747 5.116 71 HD12 LEU 13 2HD1 LEU 13 -7.840 -3.655 5.294 72 HD13 LEU 13 3HD1 LEU 13 -8.826 -4.067 6.697 73 HD21 LEU 13 1HD2 LEU 13 -8.404 -6.702 7.674 74 HD22 LEU 13 2HD2 LEU 13 -7.749 -5.128 8.127 75 HD23 LEU 13 3HD2 LEU 13 -6.661 -6.484 7.827 76 H TYR 14 H TYR 14 -6.763 -7.977 2.307 77 HA TYR 14 HA TYR 14 -7.713 -10.749 2.309 78 HB2 TYR 14 1HB TYR 14 -8.974 -8.463 0.789 79 HB3 TYR 14 2HB TYR 14 -9.281 -10.158 0.427 80 HD1 TYR 14 1HD TYR 14 -9.831 -7.447 2.835 81 HD2 TYR 14 2HD TYR 14 -10.635 -11.520 1.902 82 HE1 TYR 14 1HE TYR 14 -11.610 -7.479 4.534 83 HE2 TYR 14 2HE TYR 14 -12.417 -11.563 3.596 84 HH TYR 14 HH TYR 14 -13.608 -8.721 5.084 85 H ASP 15 H ASP 15 -7.784 -11.486 -0.148 86 HA ASP 15 HA ASP 15 -5.104 -10.944 -1.172 87 HB2 ASP 15 1HB ASP 15 -5.216 -13.004 -2.282 88 HB3 ASP 15 2HB ASP 15 -6.085 -13.301 -0.779 89 H PHE 16 H PHE 16 -4.680 -10.247 -3.252 90 HA PHE 16 HA PHE 16 -6.938 -9.553 -4.971 91 HB2 PHE 16 1HB PHE 16 -6.602 -7.527 -3.694 92 HB3 PHE 16 2HB PHE 16 -4.869 -7.573 -4.002 93 HD1 PHE 16 2HD PHE 16 -8.010 -7.686 -6.021 94 HD2 PHE 16 1HD PHE 16 -4.112 -6.050 -5.526 95 HE1 PHE 16 2HE PHE 16 -8.336 -6.308 -8.033 96 HE2 PHE 16 1HE PHE 16 -4.433 -4.669 -7.537 97 HZ PHE 16 HZ PHE 16 -6.546 -4.798 -8.795 98 H GLU 17 H GLU 17 -6.386 -9.251 -7.170 99 HA GLU 17 HA GLU 17 -3.639 -10.006 -7.898 100 HB2 GLU 17 1HB GLU 17 -6.181 -11.144 -9.073 101 HB3 GLU 17 2HB GLU 17 -4.572 -11.413 -9.728 102 HG2 GLU 17 1HG GLU 17 -3.924 -12.456 -7.577 103 HG3 GLU 17 2HG GLU 17 -5.593 -12.287 -7.036 104 HA PRO 18 HA PRO 18 -3.858 -6.562 -10.627 105 HB2 PRO 18 1HB PRO 18 -1.911 -7.273 -12.380 106 HB3 PRO 18 2HB PRO 18 -1.568 -6.700 -10.743 107 HG2 PRO 18 1HG PRO 18 -1.659 -9.504 -11.789 108 HG3 PRO 18 2HG PRO 18 -0.486 -8.758 -10.688 109 HD2 PRO 18 1HD PRO 18 -2.500 -10.343 -9.815 110 HD3 PRO 18 2HD PRO 18 -1.869 -8.987 -8.858 111 H GLU 19 H GLU 19 -5.351 -6.162 -12.124 112 HA GLU 19 HA GLU 19 -6.011 -8.264 -14.068 113 HB2 GLU 19 1HB GLU 19 -7.617 -5.830 -13.270 114 HB3 GLU 19 2HB GLU 19 -8.144 -7.103 -14.362 115 HG2 GLU 19 1HG GLU 19 -7.315 -7.824 -11.596 116 HG3 GLU 19 2HG GLU 19 -8.891 -7.080 -11.858 117 H ASN 20 H ASN 20 -5.228 -4.834 -13.778 118 HA ASN 20 HA ASN 20 -4.528 -4.830 -16.632 119 HB2 ASN 20 1HB ASN 20 -5.387 -2.510 -16.810 120 HB3 ASN 20 2HB ASN 20 -6.658 -3.675 -16.451 121 HD21 ASN 20 1HD2 ASN 20 -8.074 -2.903 -15.080 122 HD22 ASN 20 2HD2 ASN 20 -7.742 -1.869 -13.737 123 H GLU 21 H GLU 21 -2.926 -3.235 -17.227 124 HA GLU 21 HA GLU 21 -0.663 -3.202 -15.717 125 HB2 GLU 21 1HB GLU 21 -1.660 -1.188 -17.724 126 HB3 GLU 21 2HB GLU 21 -0.062 -1.074 -17.000 127 HG2 GLU 21 1HG GLU 21 0.456 -3.324 -17.871 128 HG3 GLU 21 2HG GLU 21 -1.116 -3.345 -18.669 129 H GLY 22 H GLY 22 0.370 -1.726 -14.328 130 HA2 GLY 22 1HA GLY 22 0.523 -0.026 -12.765 131 HA3 GLY 22 2HA GLY 22 -1.006 0.606 -13.356 132 H GLU 23 H GLU 23 -0.363 -2.640 -12.112 133 HA GLU 23 HA GLU 23 -1.866 -2.013 -9.681 134 HB2 GLU 23 1HB GLU 23 -2.585 -4.188 -11.649 135 HB3 GLU 23 2HB GLU 23 -3.188 -4.139 -9.998 136 HG2 GLU 23 1HG GLU 23 -3.914 -1.703 -10.717 137 HG3 GLU 23 2HG GLU 23 -3.871 -2.431 -12.322 138 H LEU 24 H LEU 24 -0.811 -2.767 -7.977 139 HA LEU 24 HA LEU 24 1.173 -4.890 -8.366 140 HB2 LEU 24 1HB LEU 24 2.089 -2.916 -7.398 141 HB3 LEU 24 2HB LEU 24 0.793 -2.829 -6.206 142 HG LEU 24 HG LEU 24 1.815 -5.172 -5.483 143 HD11 LEU 24 1HD1 LEU 24 4.032 -5.509 -5.925 144 HD12 LEU 24 2HD1 LEU 24 4.349 -3.800 -6.224 145 HD13 LEU 24 3HD1 LEU 24 3.523 -4.770 -7.444 146 HD21 LEU 24 1HD2 LEU 24 1.759 -3.693 -3.770 147 HD22 LEU 24 2HD2 LEU 24 2.420 -2.375 -4.738 148 HD23 LEU 24 3HD2 LEU 24 3.491 -3.619 -4.092 149 H GLY 25 H GLY 25 0.169 -6.818 -8.150 150 HA2 GLY 25 1HA GLY 25 -2.011 -7.370 -6.472 151 HA3 GLY 25 2HA GLY 25 -0.919 -8.571 -7.146 152 H PHE 26 H PHE 26 -2.224 -8.066 -4.415 153 HA PHE 26 HA PHE 26 0.242 -8.461 -2.855 154 HB2 PHE 26 1HB PHE 26 -0.951 -7.379 -0.930 155 HB3 PHE 26 2HB PHE 26 -0.584 -6.286 -2.260 156 HD1 PHE 26 1HD PHE 26 -3.343 -8.583 -1.232 157 HD2 PHE 26 2HD PHE 26 -2.226 -4.803 -2.839 158 HE1 PHE 26 1HE PHE 26 -5.714 -7.936 -1.347 159 HE2 PHE 26 2HE PHE 26 -4.595 -4.149 -2.956 160 HZ PHE 26 HZ PHE 26 -6.342 -5.716 -2.209 161 H LYS 27 H LYS 27 -0.662 -9.250 -0.490 162 HA LYS 27 HA LYS 27 -2.715 -11.284 -0.835 163 HB2 LYS 27 1HB LYS 27 0.179 -11.888 -0.272 164 HB3 LYS 27 2HB LYS 27 -1.102 -12.982 0.233 165 HG2 LYS 27 1HG LYS 27 -0.720 -12.077 -2.609 166 HG3 LYS 27 2HG LYS 27 -0.003 -13.546 -1.943 167 HD2 LYS 27 1HD LYS 27 -2.929 -13.118 -1.602 168 HD3 LYS 27 2HD LYS 27 -2.330 -13.589 -3.194 169 HE2 LYS 27 1HE LYS 27 -1.673 -15.068 -0.652 170 HE3 LYS 27 2HE LYS 27 -3.022 -15.489 -1.707 171 HZ1 LYS 27 1HZ LYS 27 -0.473 -15.223 -3.044 172 HZ2 LYS 27 2HZ LYS 27 -1.663 -16.413 -3.208 173 HZ3 LYS 27 3HZ LYS 27 -0.552 -16.498 -1.935 174 H GLU 28 H GLU 28 -3.796 -11.742 1.021 175 HA GLU 28 HA GLU 28 -3.963 -10.045 3.108 176 HB2 GLU 28 1HB GLU 28 -5.454 -12.009 2.683 177 HB3 GLU 28 2HB GLU 28 -4.232 -13.039 3.416 178 HG2 GLU 28 1HG GLU 28 -5.254 -10.712 4.960 179 HG3 GLU 28 2HG GLU 28 -6.270 -12.143 4.800 180 H GLY 29 H GLY 29 -2.838 -9.502 4.881 181 HA2 GLY 29 1HA GLY 29 -1.367 -9.802 6.681 182 HA3 GLY 29 2HA GLY 29 -0.834 -11.316 5.965 183 H ASP 30 H ASP 30 -0.155 -10.397 3.406 184 HA ASP 30 HA ASP 30 2.477 -9.686 3.670 185 HB2 ASP 30 1HB ASP 30 0.607 -9.002 1.392 186 HB3 ASP 30 2HB ASP 30 2.364 -8.916 1.307 187 H ILE 31 H ILE 31 3.604 -7.880 4.063 188 HA ILE 31 HA ILE 31 2.093 -5.419 4.547 189 HB ILE 31 HB ILE 31 4.923 -6.130 5.326 190 HG12 ILE 31 1HG1 ILE 31 2.969 -7.361 6.445 191 HG13 ILE 31 2HG1 ILE 31 4.126 -6.559 7.502 192 HG21 ILE 31 1HG2 ILE 31 4.532 -3.710 4.969 193 HG22 ILE 31 2HG2 ILE 31 3.251 -3.773 6.179 194 HG23 ILE 31 3HG2 ILE 31 4.918 -4.114 6.642 195 HD11 ILE 31 1HD1 ILE 31 1.699 -5.067 6.661 196 HD12 ILE 31 2HD1 ILE 31 1.546 -6.330 7.883 197 HD13 ILE 31 3HD1 ILE 31 2.631 -4.966 8.155 198 H ILE 32 H ILE 32 2.017 -3.992 2.951 199 HA ILE 32 HA ILE 32 4.181 -3.908 0.982 200 HB ILE 32 HB ILE 32 1.544 -2.447 0.870 201 HG12 ILE 32 1HG1 ILE 32 2.081 -4.908 -0.734 202 HG13 ILE 32 2HG1 ILE 32 1.613 -5.097 0.952 203 HG21 ILE 32 1HG2 ILE 32 2.163 -1.689 -1.147 204 HG22 ILE 32 2HG2 ILE 32 3.799 -2.056 -0.603 205 HG23 ILE 32 3HG2 ILE 32 2.920 -3.216 -1.598 206 HD11 ILE 32 1HD1 ILE 32 -0.501 -4.875 0.362 207 HD12 ILE 32 2HD1 ILE 32 -0.164 -3.239 -0.204 208 HD13 ILE 32 3HD1 ILE 32 -0.024 -4.603 -1.314 209 H THR 33 H THR 33 5.759 -2.497 1.299 210 HA THR 33 HA THR 33 5.845 -0.497 3.204 211 HB THR 33 HB THR 33 7.346 -0.344 0.591 212 HG1 THR 33 1HG THR 33 8.378 -2.094 1.165 213 HG21 THR 33 1HG2 THR 33 8.006 1.530 1.707 214 HG22 THR 33 2HG2 THR 33 9.104 0.378 2.468 215 HG23 THR 33 3HG2 THR 33 7.619 0.856 3.289 216 H LEU 34 H LEU 34 6.084 1.877 2.811 217 HA LEU 34 HA LEU 34 4.208 2.833 0.753 218 HB2 LEU 34 1HB LEU 34 4.408 3.777 3.609 219 HB3 LEU 34 2HB LEU 34 3.414 4.525 2.362 220 HG LEU 34 HG LEU 34 3.020 1.656 3.147 221 HD11 LEU 34 1HD1 LEU 34 1.056 2.854 4.495 222 HD12 LEU 34 2HD1 LEU 34 2.296 4.096 4.654 223 HD13 LEU 34 3HD1 LEU 34 2.612 2.458 5.225 224 HD21 LEU 34 1HD2 LEU 34 1.313 1.744 1.726 225 HD22 LEU 34 2HD2 LEU 34 1.916 3.315 1.198 226 HD23 LEU 34 3HD2 LEU 34 0.694 3.221 2.467 227 H THR 35 H THR 35 4.904 4.500 -0.439 228 HA THR 35 HA THR 35 7.289 5.964 0.486 229 HB THR 35 HB THR 35 8.065 6.114 -1.829 230 HG1 THR 35 1HG THR 35 6.872 4.479 -3.265 231 HG21 THR 35 1HG2 THR 35 8.744 4.197 -0.368 232 HG22 THR 35 2HG2 THR 35 8.826 3.855 -2.096 233 HG23 THR 35 3HG2 THR 35 7.482 3.235 -1.137 234 H ASN 36 H ASN 36 4.483 6.073 -1.695 235 HA ASN 36 HA ASN 36 3.885 8.765 -0.896 236 HB2 ASN 36 1HB ASN 36 5.127 8.193 -3.560 237 HB3 ASN 36 2HB ASN 36 3.915 9.464 -3.432 238 HD21 ASN 36 1HD2 ASN 36 4.337 11.256 -2.081 239 HD22 ASN 36 2HD2 ASN 36 5.956 11.693 -1.666 240 H GLN 37 H GLN 37 1.996 9.622 -2.302 241 HA GLN 37 HA GLN 37 0.251 7.379 -3.069 242 HB2 GLN 37 1HB GLN 37 -0.359 8.230 -0.830 243 HB3 GLN 37 2HB GLN 37 -0.585 9.834 -1.515 244 HG2 GLN 37 1HG GLN 37 -2.235 8.508 -3.108 245 HG3 GLN 37 2HG GLN 37 -2.287 7.420 -1.722 246 HE21 GLN 37 1HE2 GLN 37 -4.360 7.857 -1.122 247 HE22 GLN 37 2HE2 GLN 37 -4.875 9.388 -0.508 248 H ILE 38 H ILE 38 -0.734 7.588 -4.981 249 HA ILE 38 HA ILE 38 -0.402 10.120 -6.418 250 HB ILE 38 HB ILE 38 -1.059 7.349 -7.416 251 HG12 ILE 38 1HG1 ILE 38 1.176 8.034 -8.711 252 HG13 ILE 38 2HG1 ILE 38 1.395 9.029 -7.276 253 HG21 ILE 38 1HG2 ILE 38 -0.680 8.495 -9.687 254 HG22 ILE 38 2HG2 ILE 38 -2.233 8.722 -8.884 255 HG23 ILE 38 3HG2 ILE 38 -1.014 9.995 -8.821 256 HD11 ILE 38 1HD1 ILE 38 0.735 6.653 -6.163 257 HD12 ILE 38 2HD1 ILE 38 1.594 6.130 -7.612 258 HD13 ILE 38 3HD1 ILE 38 2.384 7.202 -6.457 259 H ASP 39 H ASP 39 -2.871 7.685 -5.665 260 HA ASP 39 HA ASP 39 -4.943 9.595 -6.498 261 HB2 ASP 39 1HB ASP 39 -5.315 6.658 -5.901 262 HB3 ASP 39 2HB ASP 39 -6.438 7.738 -6.723 263 H GLU 40 H GLU 40 -7.100 8.886 -5.124 264 HA GLU 40 HA GLU 40 -6.419 9.685 -2.408 265 HB2 GLU 40 1HB GLU 40 -8.254 10.770 -3.824 266 HB3 GLU 40 2HB GLU 40 -9.192 9.314 -3.525 267 HG2 GLU 40 1HG GLU 40 -9.863 10.971 -1.955 268 HG3 GLU 40 2HG GLU 40 -8.959 9.729 -1.090 269 H ASN 41 H ASN 41 -7.103 6.851 -4.103 270 HA ASN 41 HA ASN 41 -7.647 5.439 -1.580 271 HB2 ASN 41 1HB ASN 41 -9.087 5.276 -4.182 272 HB3 ASN 41 2HB ASN 41 -8.862 3.780 -3.282 273 HD21 ASN 41 1HD2 ASN 41 -11.101 5.896 -3.885 274 HD22 ASN 41 2HD2 ASN 41 -11.915 6.000 -2.365 275 H TRP 42 H TRP 42 -5.434 5.947 -3.865 276 HA TRP 42 HA TRP 42 -4.432 3.177 -3.753 277 HB2 TRP 42 1HB TRP 42 -3.957 5.194 -5.959 278 HB3 TRP 42 2HB TRP 42 -3.344 3.544 -5.910 279 HD1 TRP 42 HD TRP 42 -6.827 5.275 -5.855 280 HE1 TRP 42 1HE TRP 42 -8.445 3.826 -7.237 281 HE3 TRP 42 3HE TRP 42 -3.659 1.448 -7.064 282 HZ2 TRP 42 2HZ TRP 42 -8.386 1.383 -8.651 283 HZ3 TRP 42 3HZ TRP 42 -4.519 -0.406 -8.434 284 HH2 TRP 42 HH TRP 42 -6.833 -0.436 -9.209 285 H TYR 43 H TYR 43 -2.203 2.885 -3.444 286 HA TYR 43 HA TYR 43 -0.758 5.281 -2.519 287 HB2 TYR 43 1HB TYR 43 -1.052 2.579 -1.271 288 HB3 TYR 43 2HB TYR 43 0.448 3.469 -1.028 289 HD1 TYR 43 2HD TYR 43 -0.481 6.231 -0.781 290 HD2 TYR 43 1HD TYR 43 -2.177 2.646 0.759 291 HE1 TYR 43 2HE TYR 43 -1.534 7.515 1.033 292 HE2 TYR 43 1HE TYR 43 -3.236 3.920 2.577 293 HH TYR 43 HH TYR 43 -3.984 6.574 2.769 294 H GLU 44 H GLU 44 1.708 4.606 -2.255 295 HA GLU 44 HA GLU 44 2.541 3.040 -4.593 296 HB2 GLU 44 1HB GLU 44 2.468 5.576 -5.018 297 HB3 GLU 44 2HB GLU 44 3.846 5.669 -3.930 298 HG2 GLU 44 1HG GLU 44 4.998 4.009 -5.430 299 HG3 GLU 44 2HG GLU 44 3.675 4.247 -6.569 300 H GLY 45 H GLY 45 3.875 1.500 -3.927 301 HA2 GLY 45 1HA GLY 45 6.014 2.155 -2.057 302 HA3 GLY 45 2HA GLY 45 4.875 0.922 -1.536 303 H MET 46 H MET 46 7.166 -0.125 -1.526 304 HA MET 46 HA MET 46 7.659 -1.341 -4.162 305 HB2 MET 46 1HB MET 46 9.446 -0.575 -1.912 306 HB3 MET 46 2HB MET 46 9.866 -2.023 -2.817 307 HG2 MET 46 1HG MET 46 9.724 -0.634 -4.903 308 HG3 MET 46 2HG MET 46 9.582 0.779 -3.860 309 HE1 MET 46 1HE MET 46 11.442 0.790 -1.633 310 HE2 MET 46 2HE MET 46 13.009 1.237 -2.308 311 HE3 MET 46 3HE MET 46 11.542 2.034 -2.879 312 H LEU 47 H LEU 47 7.385 -3.475 -4.418 313 HA LEU 47 HA LEU 47 7.377 -5.251 -2.117 314 HB2 LEU 47 1HB LEU 47 5.070 -4.498 -2.239 315 HB3 LEU 47 2HB LEU 47 4.998 -4.945 -3.943 316 HG LEU 47 HG LEU 47 5.363 -7.327 -3.232 317 HD11 LEU 47 1HD1 LEU 47 5.467 -7.969 -1.064 318 HD12 LEU 47 2HD1 LEU 47 4.454 -6.639 -0.503 319 HD13 LEU 47 3HD1 LEU 47 6.154 -6.356 -0.876 320 HD21 LEU 47 1HD2 LEU 47 2.969 -5.677 -2.713 321 HD22 LEU 47 2HD2 LEU 47 2.966 -7.304 -2.030 322 HD23 LEU 47 3HD2 LEU 47 3.181 -7.076 -3.767 323 H HIS 48 H HIS 48 8.411 -7.064 -2.620 324 HA HIS 48 HA HIS 48 9.454 -8.693 -3.819 325 HB2 HIS 48 1HB HIS 48 6.885 -8.296 -5.305 326 HB3 HIS 48 2HB HIS 48 8.108 -9.375 -5.971 327 HD1 HIS 48 1HD HIS 48 9.046 -11.045 -3.780 328 HD2 HIS 48 2HD HIS 48 5.096 -9.767 -3.937 329 HE1 HIS 48 1HE HIS 48 7.758 -12.664 -2.351 330 HE2 HIS 48 2HE HIS 48 5.358 -11.921 -2.530 331 H GLY 49 H GLY 49 10.465 -6.139 -4.224 332 HA2 GLY 49 1HA GLY 49 11.914 -5.017 -5.606 333 HA3 GLY 49 2HA GLY 49 12.000 -6.495 -6.553 334 H HIS 50 H HIS 50 8.922 -4.992 -6.074 335 HA HIS 50 HA HIS 50 9.039 -3.874 -8.795 336 HB2 HIS 50 1HB HIS 50 6.841 -5.523 -7.544 337 HB3 HIS 50 2HB HIS 50 6.610 -4.563 -9.002 338 HD1 HIS 50 1HD HIS 50 8.289 -5.251 -11.045 339 HD2 HIS 50 2HD HIS 50 7.765 -8.033 -8.004 340 HE1 HIS 50 1HE HIS 50 9.057 -7.446 -12.002 341 HE2 HIS 50 2HE HIS 50 8.651 -9.129 -10.173 342 H SER 51 H SER 51 7.930 -1.971 -9.155 343 HA SER 51 HA SER 51 6.861 -0.657 -6.743 344 HB2 SER 51 1HB SER 51 7.585 1.482 -7.744 345 HB3 SER 51 2HB SER 51 8.943 0.381 -7.510 346 HG SER 51 HG SER 51 8.292 -0.219 -9.846 347 H GLY 52 H GLY 52 4.717 -0.556 -6.824 348 HA2 GLY 52 1HA GLY 52 3.447 0.526 -9.218 349 HA3 GLY 52 2HA GLY 52 2.936 -1.080 -8.719 350 H PHE 53 H PHE 53 0.899 0.423 -8.758 351 HA PHE 53 HA PHE 53 0.569 1.655 -6.108 352 HB2 PHE 53 1HB PHE 53 -1.461 2.010 -8.266 353 HB3 PHE 53 2HB PHE 53 -0.959 3.130 -7.004 354 HD1 PHE 53 2HD PHE 53 1.811 3.520 -7.292 355 HD2 PHE 53 1HD PHE 53 -1.080 2.872 -10.348 356 HE1 PHE 53 2HE PHE 53 3.258 4.687 -8.904 357 HE2 PHE 53 1HE PHE 53 0.363 4.037 -11.965 358 HZ PHE 53 HZ PHE 53 2.535 4.948 -11.243 359 H PHE 54 H PHE 54 -1.119 1.069 -4.774 360 HA PHE 54 HA PHE 54 -2.839 -1.139 -5.651 361 HB2 PHE 54 1HB PHE 54 -2.487 -2.194 -3.374 362 HB3 PHE 54 2HB PHE 54 -1.117 -2.288 -4.475 363 HD1 PHE 54 1HD PHE 54 0.697 -0.476 -4.225 364 HD2 PHE 54 2HD PHE 54 -2.205 -1.353 -1.238 365 HE1 PHE 54 1HE PHE 54 2.137 0.568 -2.525 366 HE2 PHE 54 2HE PHE 54 -0.770 -0.311 0.467 367 HZ PHE 54 HZ PHE 54 1.404 0.652 -0.175 368 HA PRO 55 HA PRO 55 -6.077 1.079 -3.687 369 HB2 PRO 55 1HB PRO 55 -7.711 -0.952 -2.928 370 HB3 PRO 55 2HB PRO 55 -7.520 -0.451 -4.613 371 HG2 PRO 55 1HG PRO 55 -6.240 -2.734 -3.159 372 HG3 PRO 55 2HG PRO 55 -6.937 -2.695 -4.789 373 HD2 PRO 55 1HD PRO 55 -4.271 -2.542 -4.340 374 HD3 PRO 55 2HD PRO 55 -5.058 -1.724 -5.705 375 H ILE 56 H ILE 56 -6.964 1.636 -1.671 376 HA ILE 56 HA ILE 56 -5.399 0.690 0.610 377 HB ILE 56 HB ILE 56 -7.294 3.035 0.437 378 HG12 ILE 56 1HG1 ILE 56 -4.274 3.080 0.496 379 HG13 ILE 56 2HG1 ILE 56 -5.207 3.152 -0.995 380 HG21 ILE 56 1HG2 ILE 56 -6.371 3.726 2.554 381 HG22 ILE 56 2HG2 ILE 56 -7.003 2.087 2.702 382 HG23 ILE 56 3HG2 ILE 56 -5.265 2.352 2.560 383 HD11 ILE 56 1HD1 ILE 56 -6.355 5.137 0.462 384 HD12 ILE 56 2HD1 ILE 56 -4.676 5.221 0.994 385 HD13 ILE 56 3HD1 ILE 56 -5.066 5.359 -0.720 386 H ASN 57 H ASN 57 -8.597 0.586 -0.704 387 HA ASN 57 HA ASN 57 -10.030 0.010 1.662 388 HB2 ASN 57 1HB ASN 57 -11.852 -0.448 0.282 389 HB3 ASN 57 2HB ASN 57 -10.898 0.654 -0.706 390 HD21 ASN 57 1HD2 ASN 57 -10.672 0.064 -2.727 391 HD22 ASN 57 2HD2 ASN 57 -10.693 -1.555 -3.329 392 H TYR 58 H TYR 58 -7.628 -1.723 0.199 393 HA TYR 58 HA TYR 58 -8.702 -4.303 1.127 394 HB2 TYR 58 1HB TYR 58 -6.750 -3.587 -1.039 395 HB3 TYR 58 2HB TYR 58 -6.723 -5.191 -0.314 396 HD1 TYR 58 2HD TYR 58 -8.859 -6.575 -0.395 397 HD2 TYR 58 1HD TYR 58 -8.299 -3.055 -2.719 398 HE1 TYR 58 2HE TYR 58 -10.666 -7.290 -1.903 399 HE2 TYR 58 1HE TYR 58 -10.106 -3.759 -4.232 400 HH TYR 58 HH TYR 58 -11.231 -5.838 -4.914 401 H VAL 59 H VAL 59 -6.286 -1.917 1.615 402 HA VAL 59 HA VAL 59 -4.968 -3.661 3.593 403 HB VAL 59 HB VAL 59 -2.885 -2.387 3.226 404 HG11 VAL 59 1HG1 VAL 59 -2.529 -4.223 2.001 405 HG12 VAL 59 2HG1 VAL 59 -4.144 -4.171 1.292 406 HG13 VAL 59 3HG1 VAL 59 -2.845 -3.195 0.604 407 HG21 VAL 59 1HG2 VAL 59 -4.006 -1.280 0.692 408 HG22 VAL 59 2HG2 VAL 59 -4.279 -0.419 2.207 409 HG23 VAL 59 3HG2 VAL 59 -2.634 -0.726 1.652 410 H GLU 60 H GLU 60 -4.358 -2.724 5.553 411 HA GLU 60 HA GLU 60 -5.748 -0.210 6.161 412 HB2 GLU 60 1HB GLU 60 -6.120 -2.476 7.428 413 HB3 GLU 60 2HB GLU 60 -4.638 -2.031 8.262 414 HG2 GLU 60 1HG GLU 60 -5.626 -0.021 9.090 415 HG3 GLU 60 2HG GLU 60 -7.064 -0.262 8.099 416 H ILE 61 H ILE 61 -4.700 1.532 6.994 417 HA ILE 61 HA ILE 61 -1.804 1.528 6.782 418 HB ILE 61 HB ILE 61 -3.788 3.748 7.267 419 HG12 ILE 61 1HG1 ILE 61 -3.782 2.927 4.986 420 HG13 ILE 61 2HG1 ILE 61 -2.996 4.502 5.032 421 HG21 ILE 61 1HG2 ILE 61 -2.110 4.871 8.216 422 HG22 ILE 61 2HG2 ILE 61 -0.921 3.661 7.736 423 HG23 ILE 61 3HG2 ILE 61 -1.389 4.933 6.608 424 HD11 ILE 61 1HD1 ILE 61 -1.737 1.801 4.712 425 HD12 ILE 61 2HD1 ILE 61 -1.686 3.180 3.613 426 HD13 ILE 61 3HD1 ILE 61 -0.804 3.235 5.139 427 H LEU 62 H LEU 62 -0.844 0.631 8.521 428 HA LEU 62 HA LEU 62 -1.830 1.013 11.192 429 HB2 LEU 62 1HB LEU 62 0.872 -0.064 10.450 430 HB3 LEU 62 2HB LEU 62 -0.085 -0.407 11.889 431 HG LEU 62 HG LEU 62 -0.823 -1.304 9.106 432 HD11 LEU 62 1HD1 LEU 62 0.122 -3.190 11.195 433 HD12 LEU 62 2HD1 LEU 62 1.327 -2.238 10.329 434 HD13 LEU 62 3HD1 LEU 62 0.232 -3.294 9.437 435 HD21 LEU 62 1HD2 LEU 62 -1.877 -2.125 11.810 436 HD22 LEU 62 2HD2 LEU 62 -2.409 -2.741 10.246 437 HD23 LEU 62 3HD2 LEU 62 -2.700 -1.055 10.675 438 H VAL 63 H VAL 63 0.874 2.237 9.273 439 HA VAL 63 HA VAL 63 1.418 4.190 11.414 440 HB VAL 63 HB VAL 63 3.283 2.919 9.421 441 HG11 VAL 63 1HG1 VAL 63 3.850 5.321 11.156 442 HG12 VAL 63 2HG1 VAL 63 5.016 4.469 10.141 443 HG13 VAL 63 3HG1 VAL 63 3.671 5.340 9.402 444 HG21 VAL 63 1HG2 VAL 63 3.833 3.264 12.329 445 HG22 VAL 63 2HG2 VAL 63 2.688 2.023 11.821 446 HG23 VAL 63 3HG2 VAL 63 4.348 1.986 11.228 447 H ALA 64 H ALA 64 0.665 6.138 10.932 448 HA ALA 64 HA ALA 64 -0.146 6.942 8.352 449 HB1 ALA 64 1HB ALA 64 -0.216 9.253 9.449 450 HB2 ALA 64 2HB ALA 64 -1.243 7.991 10.132 451 HB3 ALA 64 3HB ALA 64 0.270 8.423 10.928 452 H LEU 65 H LEU 65 0.955 7.792 6.709 453 HA LEU 65 HA LEU 65 3.720 7.917 6.600 454 HB2 LEU 65 1HB LEU 65 1.599 9.270 4.959 455 HB3 LEU 65 2HB LEU 65 3.315 9.433 4.592 456 HG LEU 65 HG LEU 65 2.071 6.718 4.785 457 HD11 LEU 65 1HD1 LEU 65 0.759 8.294 3.236 458 HD12 LEU 65 2HD1 LEU 65 1.309 6.749 2.588 459 HD13 LEU 65 3HD1 LEU 65 2.186 8.229 2.201 460 HD21 LEU 65 1HD2 LEU 65 3.948 6.000 3.728 461 HD22 LEU 65 2HD2 LEU 65 4.620 7.433 4.505 462 HD23 LEU 65 3HD2 LEU 65 4.139 7.493 2.809 463 HA PRO 66 HA PRO 66 4.937 11.668 8.530 464 HB2 PRO 66 1HB PRO 66 7.071 12.370 7.005 465 HB3 PRO 66 2HB PRO 66 7.108 11.020 8.145 466 HG2 PRO 66 1HG PRO 66 6.710 10.984 5.178 467 HG3 PRO 66 2HG PRO 66 7.701 9.914 6.188 468 HD2 PRO 66 1HD PRO 66 5.254 9.201 5.272 469 HD3 PRO 66 2HD PRO 66 5.892 8.639 6.831 470 H HIS 67 H HIS 67 3.622 11.598 5.444 471 HA HIS 67 HA HIS 67 3.169 14.479 5.515 472 HB2 HIS 67 1HB HIS 67 5.180 13.724 3.971 473 HB3 HIS 67 2HB HIS 67 3.879 13.303 2.861 474 HD1 HIS 67 1HD HIS 67 4.367 15.145 1.178 475 HD2 HIS 67 2HD HIS 67 3.723 16.568 5.028 476 HE1 HIS 67 1HE HIS 67 4.154 17.640 0.945 477 HE2 HIS 67 2HE HIS 67 3.850 18.487 3.298 478 H SER 68 H SER 68 1.018 14.515 5.673 479 HA SER 68 HA SER 68 -0.574 12.619 4.110 480 HB2 SER 68 1HB SER 68 -2.454 13.328 5.532 481 HB3 SER 68 2HB SER 68 -1.085 12.795 6.508 482 HG SER 68 HG SER 68 -1.207 14.673 7.420 483 H GLY 69 H GLY 69 -0.866 16.070 4.991 484 HA2 GLY 69 1HA GLY 69 -0.898 17.777 3.268 485 HA3 GLY 69 2HA GLY 69 -1.651 16.604 2.198 486 HA PRO 70 HA PRO 70 -5.024 19.304 3.789 487 HB2 PRO 70 1HB PRO 70 -6.350 19.410 1.423 488 HB3 PRO 70 2HB PRO 70 -5.022 20.503 1.829 489 HG2 PRO 70 1HG PRO 70 -4.987 18.020 0.158 490 HG3 PRO 70 2HG PRO 70 -4.199 19.580 -0.140 491 HD2 PRO 70 1HD PRO 70 -2.866 17.439 0.846 492 HD3 PRO 70 2HD PRO 70 -2.447 19.109 1.282 493 H SER 71 H SER 71 -6.911 18.574 4.602 494 HA SER 71 HA SER 71 -7.573 15.802 4.300 495 HB2 SER 71 1HB SER 71 -8.611 18.078 5.938 496 HB3 SER 71 2HB SER 71 -9.616 16.641 5.751 497 HG SER 71 HG SER 71 -8.191 16.578 7.588 498 H SER 72 H SER 72 -9.879 15.131 3.902 499 HA SER 72 HA SER 72 -10.714 16.216 1.362 500 HB2 SER 72 1HB SER 72 -11.672 13.897 3.040 501 HB3 SER 72 2HB SER 72 -12.474 14.377 1.545 502 HG SER 72 HG SER 72 -10.121 14.235 0.737 503 H GLY 73 H GLY 73 -12.635 17.244 0.893 504 HA2 GLY 73 1HA GLY 73 -14.591 18.408 1.265 505 HA3 GLY 73 2HA GLY 73 -14.698 17.629 2.837 Start of MODEL 3 1 H1 GLY 1 H GLY 1 5.657 -13.875 16.058 2 HA2 GLY 1 1HA GLY 1 6.392 -11.061 16.282 3 HA3 GLY 1 2HA GLY 1 7.436 -12.372 15.752 4 H SER 2 H SER 2 5.678 -9.712 14.769 5 HA SER 2 HA SER 2 5.743 -10.621 11.966 6 HB2 SER 2 1HB SER 2 3.722 -8.932 13.418 7 HB3 SER 2 2HB SER 2 3.914 -8.804 11.669 8 HG SER 2 HG SER 2 2.476 -10.552 12.940 9 H SER 3 H SER 3 5.958 -8.802 10.388 10 HA SER 3 HA SER 3 8.153 -7.111 11.212 11 HB2 SER 3 1HB SER 3 7.928 -8.375 8.968 12 HB3 SER 3 2HB SER 3 6.854 -7.059 8.496 13 HG SER 3 HG SER 3 9.390 -7.030 8.240 14 H GLY 4 H GLY 4 8.114 -4.794 10.202 15 HA2 GLY 4 1HA GLY 4 6.877 -2.804 9.787 16 HA3 GLY 4 2HA GLY 4 5.476 -3.552 10.539 17 H SER 5 H SER 5 8.558 -1.986 11.131 18 HA SER 5 HA SER 5 7.605 -1.298 13.826 19 HB2 SER 5 1HB SER 5 9.878 -1.563 14.712 20 HB3 SER 5 2HB SER 5 9.295 -3.081 14.030 21 HG SER 5 HG SER 5 11.328 -1.400 13.162 22 H SER 6 H SER 6 10.026 -0.552 11.327 23 HA SER 6 HA SER 6 9.790 2.290 12.074 24 HB2 SER 6 1HB SER 6 12.122 0.719 10.982 25 HB3 SER 6 2HB SER 6 12.068 2.481 10.915 26 HG SER 6 HG SER 6 12.451 2.568 12.987 27 H GLY 7 H GLY 7 9.677 3.845 10.419 28 HA2 GLY 7 1HA GLY 7 9.226 4.673 8.311 29 HA3 GLY 7 2HA GLY 7 9.633 3.096 7.652 30 HA PRO 8 HA PRO 8 4.917 3.967 7.894 31 HB2 PRO 8 1HB PRO 8 4.484 4.989 5.416 32 HB3 PRO 8 2HB PRO 8 4.819 6.000 6.827 33 HG2 PRO 8 1HG PRO 8 6.676 5.099 4.659 34 HG3 PRO 8 2HG PRO 8 6.529 6.697 5.414 35 HD2 PRO 8 1HD PRO 8 8.470 4.936 6.095 36 HD3 PRO 8 2HD PRO 8 7.766 6.077 7.258 37 H CYS 9 H CYS 9 4.003 2.041 7.595 38 HA CYS 9 HA CYS 9 4.292 0.721 4.995 39 HB2 CYS 9 1HB CYS 9 5.831 -0.199 6.917 40 HB3 CYS 9 2HB CYS 9 4.344 -0.957 7.475 41 HG CYS 9 HG CYS 9 6.422 -2.138 5.361 42 H CYS 10 H CYS 10 2.713 -1.214 4.894 43 HA CYS 10 HA CYS 10 0.251 -0.659 6.384 44 HB2 CYS 10 1HB CYS 10 -1.095 -0.431 4.497 45 HB3 CYS 10 2HB CYS 10 0.354 0.455 4.038 46 HG CYS 10 HG CYS 10 -0.693 -2.589 2.924 47 H ARG 11 H ARG 11 -1.401 -2.416 6.021 48 HA ARG 11 HA ARG 11 -0.080 -5.013 5.589 49 HB2 ARG 11 1HB ARG 11 -0.344 -4.792 7.954 50 HB3 ARG 11 2HB ARG 11 -1.996 -4.214 7.778 51 HG2 ARG 11 1HG ARG 11 -2.729 -6.384 7.042 52 HG3 ARG 11 2HG ARG 11 -1.068 -6.982 7.043 53 HD2 ARG 11 1HD ARG 11 -2.353 -5.877 9.521 54 HD3 ARG 11 2HD ARG 11 -2.557 -7.563 9.047 55 HE ARG 11 HE ARG 11 0.171 -7.000 9.019 56 HH11 ARG 11 2HH1 ARG 11 -2.442 -7.189 11.311 57 HH12 ARG 11 1HH1 ARG 11 -1.422 -7.650 12.634 58 HH21 ARG 11 2HH2 ARG 11 1.525 -7.606 10.752 59 HH22 ARG 11 1HH2 ARG 11 0.834 -7.886 12.314 60 H ALA 12 H ALA 12 -1.123 -6.421 4.306 61 HA ALA 12 HA ALA 12 -3.555 -5.532 3.004 62 HB1 ALA 12 1HB ALA 12 -1.958 -8.040 2.505 63 HB2 ALA 12 2HB ALA 12 -3.188 -7.336 1.455 64 HB3 ALA 12 3HB ALA 12 -1.664 -6.488 1.719 65 H LEU 13 H LEU 13 -5.552 -6.351 3.284 66 HA LEU 13 HA LEU 13 -5.886 -8.383 5.369 67 HB2 LEU 13 1HB LEU 13 -8.004 -6.628 4.146 68 HB3 LEU 13 2HB LEU 13 -8.124 -7.587 5.620 69 HG LEU 13 HG LEU 13 -6.289 -5.217 5.300 70 HD11 LEU 13 1HD1 LEU 13 -8.723 -4.653 5.104 71 HD12 LEU 13 2HD1 LEU 13 -7.889 -3.899 6.462 72 HD13 LEU 13 3HD1 LEU 13 -8.934 -5.293 6.734 73 HD21 LEU 13 1HD2 LEU 13 -6.730 -5.479 7.933 74 HD22 LEU 13 2HD2 LEU 13 -5.391 -6.260 7.093 75 HD23 LEU 13 3HD2 LEU 13 -6.863 -7.167 7.442 76 H TYR 14 H TYR 14 -6.464 -7.754 1.996 77 HA TYR 14 HA TYR 14 -7.472 -10.501 1.708 78 HB2 TYR 14 1HB TYR 14 -8.586 -7.984 0.489 79 HB3 TYR 14 2HB TYR 14 -8.864 -9.561 -0.241 80 HD1 TYR 14 1HD TYR 14 -9.561 -7.431 2.672 81 HD2 TYR 14 2HD TYR 14 -10.356 -11.156 0.776 82 HE1 TYR 14 1HE TYR 14 -11.461 -7.791 4.191 83 HE2 TYR 14 2HE TYR 14 -12.260 -11.526 2.289 84 HH TYR 14 HH TYR 14 -13.858 -9.858 3.679 85 H ASP 15 H ASP 15 -7.502 -10.983 -0.824 86 HA ASP 15 HA ASP 15 -4.786 -10.354 -1.757 87 HB2 ASP 15 1HB ASP 15 -6.622 -12.658 -2.442 88 HB3 ASP 15 2HB ASP 15 -5.045 -12.389 -3.178 89 H PHE 16 H PHE 16 -4.407 -9.657 -3.849 90 HA PHE 16 HA PHE 16 -6.706 -9.144 -5.576 91 HB2 PHE 16 1HB PHE 16 -6.622 -7.062 -4.475 92 HB3 PHE 16 2HB PHE 16 -4.862 -7.042 -4.464 93 HD1 PHE 16 2HD PHE 16 -7.746 -7.000 -6.817 94 HD2 PHE 16 1HD PHE 16 -3.731 -5.812 -6.052 95 HE1 PHE 16 2HE PHE 16 -7.753 -5.661 -8.881 96 HE2 PHE 16 1HE PHE 16 -3.732 -4.470 -8.115 97 HZ PHE 16 HZ PHE 16 -5.744 -4.394 -9.533 98 H GLU 17 H GLU 17 -6.117 -8.648 -7.783 99 HA GLU 17 HA GLU 17 -3.377 -9.477 -8.474 100 HB2 GLU 17 1HB GLU 17 -4.272 -10.657 -10.428 101 HB3 GLU 17 2HB GLU 17 -4.920 -11.313 -8.932 102 HG2 GLU 17 1HG GLU 17 -6.972 -9.978 -9.286 103 HG3 GLU 17 2HG GLU 17 -6.323 -9.458 -10.840 104 HA PRO 18 HA PRO 18 -3.167 -5.761 -10.819 105 HB2 PRO 18 1HB PRO 18 -1.211 -6.458 -12.568 106 HB3 PRO 18 2HB PRO 18 -0.895 -6.096 -10.867 107 HG2 PRO 18 1HG PRO 18 -1.183 -8.752 -12.216 108 HG3 PRO 18 2HG PRO 18 -0.001 -8.239 -10.998 109 HD2 PRO 18 1HD PRO 18 -2.184 -9.715 -10.378 110 HD3 PRO 18 2HD PRO 18 -1.481 -8.533 -9.256 111 H GLU 19 H GLU 19 -4.063 -4.892 -12.627 112 HA GLU 19 HA GLU 19 -5.186 -6.780 -14.583 113 HB2 GLU 19 1HB GLU 19 -6.106 -4.122 -13.547 114 HB3 GLU 19 2HB GLU 19 -6.642 -4.680 -15.125 115 HG2 GLU 19 1HG GLU 19 -7.080 -6.038 -12.478 116 HG3 GLU 19 2HG GLU 19 -8.291 -5.247 -13.485 117 H ASN 20 H ASN 20 -3.439 -3.735 -14.243 118 HA ASN 20 HA ASN 20 -2.742 -3.898 -17.102 119 HB2 ASN 20 1HB ASN 20 -2.278 -1.338 -16.712 120 HB3 ASN 20 2HB ASN 20 -3.916 -1.907 -17.025 121 HD21 ASN 20 1HD2 ASN 20 -2.267 0.177 -15.235 122 HD22 ASN 20 2HD2 ASN 20 -3.238 0.221 -13.807 123 H GLU 21 H GLU 21 -0.671 -2.326 -17.389 124 HA GLU 21 HA GLU 21 1.467 -3.731 -16.185 125 HB2 GLU 21 1HB GLU 21 2.900 -1.995 -17.274 126 HB3 GLU 21 2HB GLU 21 1.775 -2.789 -18.367 127 HG2 GLU 21 1HG GLU 21 0.299 -0.885 -18.302 128 HG3 GLU 21 2HG GLU 21 1.321 -0.098 -17.101 129 H GLY 22 H GLY 22 -0.121 -0.688 -15.459 130 HA2 GLY 22 1HA GLY 22 1.849 -0.057 -13.395 131 HA3 GLY 22 2HA GLY 22 0.521 0.971 -13.915 132 H GLU 23 H GLU 23 0.803 -2.324 -12.572 133 HA GLU 23 HA GLU 23 -0.932 -1.503 -10.359 134 HB2 GLU 23 1HB GLU 23 -1.479 -3.681 -12.346 135 HB3 GLU 23 2HB GLU 23 -2.057 -3.839 -10.693 136 HG2 GLU 23 1HG GLU 23 -2.643 -1.341 -12.202 137 HG3 GLU 23 2HG GLU 23 -3.570 -2.800 -12.549 138 H LEU 24 H LEU 24 -0.852 -2.934 -8.522 139 HA LEU 24 HA LEU 24 1.419 -4.795 -8.505 140 HB2 LEU 24 1HB LEU 24 2.269 -2.751 -7.578 141 HB3 LEU 24 2HB LEU 24 0.874 -2.604 -6.511 142 HG LEU 24 HG LEU 24 1.737 -4.848 -5.512 143 HD11 LEU 24 1HD1 LEU 24 3.551 -4.729 -7.479 144 HD12 LEU 24 2HD1 LEU 24 3.851 -5.520 -5.933 145 HD13 LEU 24 3HD1 LEU 24 4.436 -3.881 -6.211 146 HD21 LEU 24 1HD2 LEU 24 1.782 -3.158 -3.994 147 HD22 LEU 24 2HD2 LEU 24 2.651 -2.063 -5.070 148 HD23 LEU 24 3HD2 LEU 24 3.520 -3.347 -4.229 149 H GLY 25 H GLY 25 0.423 -6.692 -8.184 150 HA2 GLY 25 1HA GLY 25 -1.977 -6.963 -6.655 151 HA3 GLY 25 2HA GLY 25 -1.007 -8.274 -7.309 152 H PHE 26 H PHE 26 -2.284 -8.141 -4.721 153 HA PHE 26 HA PHE 26 0.102 -8.551 -3.068 154 HB2 PHE 26 1HB PHE 26 -1.112 -7.511 -1.133 155 HB3 PHE 26 2HB PHE 26 -0.659 -6.375 -2.399 156 HD1 PHE 26 1HD PHE 26 -3.536 -8.610 -1.576 157 HD2 PHE 26 2HD PHE 26 -2.224 -4.800 -2.948 158 HE1 PHE 26 1HE PHE 26 -5.876 -7.865 -1.734 159 HE2 PHE 26 2HE PHE 26 -4.561 -4.049 -3.108 160 HZ PHE 26 HZ PHE 26 -6.391 -5.581 -2.500 161 H LYS 27 H LYS 27 -0.750 -9.521 -0.834 162 HA LYS 27 HA LYS 27 -2.954 -11.379 -1.260 163 HB2 LYS 27 1HB LYS 27 -0.116 -12.254 -0.706 164 HB3 LYS 27 2HB LYS 27 -1.516 -13.299 -0.502 165 HG2 LYS 27 1HG LYS 27 -0.869 -13.911 -2.595 166 HG3 LYS 27 2HG LYS 27 -1.980 -12.599 -2.998 167 HD2 LYS 27 1HD LYS 27 0.150 -11.111 -2.846 168 HD3 LYS 27 2HD LYS 27 1.012 -12.638 -3.052 169 HE2 LYS 27 1HE LYS 27 0.003 -13.027 -5.157 170 HE3 LYS 27 2HE LYS 27 -1.183 -11.747 -4.907 171 HZ1 LYS 27 1HZ LYS 27 1.243 -11.532 -6.193 172 HZ2 LYS 27 2HZ LYS 27 1.457 -10.726 -4.722 173 HZ3 LYS 27 3HZ LYS 27 0.205 -10.266 -5.762 174 H GLU 28 H GLU 28 -3.920 -12.084 0.622 175 HA GLU 28 HA GLU 28 -3.979 -10.514 2.833 176 HB2 GLU 28 1HB GLU 28 -5.595 -12.303 2.416 177 HB3 GLU 28 2HB GLU 28 -4.369 -13.511 2.776 178 HG2 GLU 28 1HG GLU 28 -4.245 -12.736 5.071 179 HG3 GLU 28 2HG GLU 28 -5.427 -11.475 4.724 180 H GLY 29 H GLY 29 -2.819 -10.197 4.653 181 HA2 GLY 29 1HA GLY 29 -1.273 -10.663 6.342 182 HA3 GLY 29 2HA GLY 29 -0.806 -12.121 5.479 183 H ASP 30 H ASP 30 -0.350 -10.756 2.955 184 HA ASP 30 HA ASP 30 2.368 -10.184 3.205 185 HB2 ASP 30 1HB ASP 30 0.461 -9.303 1.026 186 HB3 ASP 30 2HB ASP 30 2.219 -9.311 0.904 187 H ILE 31 H ILE 31 3.475 -8.435 3.799 188 HA ILE 31 HA ILE 31 1.981 -5.993 4.405 189 HB ILE 31 HB ILE 31 4.811 -6.726 5.165 190 HG12 ILE 31 1HG1 ILE 31 3.052 -8.192 6.170 191 HG13 ILE 31 2HG1 ILE 31 3.952 -7.253 7.356 192 HG21 ILE 31 1HG2 ILE 31 4.076 -4.260 5.007 193 HG22 ILE 31 2HG2 ILE 31 3.131 -4.609 6.453 194 HG23 ILE 31 3HG2 ILE 31 4.883 -4.808 6.476 195 HD11 ILE 31 1HD1 ILE 31 2.149 -6.034 7.955 196 HD12 ILE 31 2HD1 ILE 31 1.447 -6.066 6.337 197 HD13 ILE 31 3HD1 ILE 31 1.304 -7.474 7.389 198 H ILE 32 H ILE 32 2.115 -4.246 3.165 199 HA ILE 32 HA ILE 32 4.294 -4.101 1.188 200 HB ILE 32 HB ILE 32 1.607 -2.735 1.025 201 HG12 ILE 32 1HG1 ILE 32 2.391 -5.038 -0.716 202 HG13 ILE 32 2HG1 ILE 32 1.777 -5.363 0.900 203 HG21 ILE 32 1HG2 ILE 32 4.063 -2.531 -0.476 204 HG22 ILE 32 2HG2 ILE 32 2.723 -3.030 -1.507 205 HG23 ILE 32 3HG2 ILE 32 2.605 -1.544 -0.566 206 HD11 ILE 32 1HD1 ILE 32 0.321 -4.852 -1.450 207 HD12 ILE 32 2HD1 ILE 32 -0.295 -5.109 0.183 208 HD13 ILE 32 3HD1 ILE 32 0.068 -3.477 -0.376 209 H THR 33 H THR 33 5.566 -2.329 1.091 210 HA THR 33 HA THR 33 5.504 -0.500 3.306 211 HB THR 33 HB THR 33 7.291 -0.294 0.885 212 HG1 THR 33 1HG THR 33 8.718 -1.663 2.046 213 HG21 THR 33 1HG2 THR 33 7.261 0.835 3.637 214 HG22 THR 33 2HG2 THR 33 7.739 1.584 2.114 215 HG23 THR 33 3HG2 THR 33 8.823 0.450 2.918 216 H LEU 34 H LEU 34 5.810 1.893 2.881 217 HA LEU 34 HA LEU 34 4.081 2.792 0.675 218 HB2 LEU 34 1HB LEU 34 4.114 3.838 3.502 219 HB3 LEU 34 2HB LEU 34 3.184 4.526 2.172 220 HG LEU 34 HG LEU 34 2.767 1.688 3.056 221 HD11 LEU 34 1HD1 LEU 34 1.055 3.906 4.078 222 HD12 LEU 34 2HD1 LEU 34 2.548 3.499 4.921 223 HD13 LEU 34 3HD1 LEU 34 1.291 2.279 4.716 224 HD21 LEU 34 1HD2 LEU 34 0.564 3.378 2.093 225 HD22 LEU 34 2HD2 LEU 34 0.985 1.714 1.686 226 HD23 LEU 34 3HD2 LEU 34 1.833 3.053 0.911 227 H THR 35 H THR 35 4.642 4.693 -0.334 228 HA THR 35 HA THR 35 7.067 6.057 0.618 229 HB THR 35 HB THR 35 7.937 6.214 -1.654 230 HG1 THR 35 1HG THR 35 6.469 5.981 -3.167 231 HG21 THR 35 1HG2 THR 35 7.770 3.838 -0.117 232 HG22 THR 35 2HG2 THR 35 9.034 4.319 -1.250 233 HG23 THR 35 3HG2 THR 35 7.652 3.380 -1.816 234 H ASN 36 H ASN 36 4.387 6.197 -1.724 235 HA ASN 36 HA ASN 36 3.748 8.883 -0.905 236 HB2 ASN 36 1HB ASN 36 5.161 8.327 -3.468 237 HB3 ASN 36 2HB ASN 36 3.864 9.518 -3.494 238 HD21 ASN 36 1HD2 ASN 36 7.104 8.962 -2.846 239 HD22 ASN 36 2HD2 ASN 36 7.470 10.457 -2.061 240 H GLN 37 H GLN 37 1.782 9.687 -1.947 241 HA GLN 37 HA GLN 37 0.090 7.468 -2.889 242 HB2 GLN 37 1HB GLN 37 -0.691 8.256 -0.763 243 HB3 GLN 37 2HB GLN 37 -0.609 9.932 -1.292 244 HG2 GLN 37 1HG GLN 37 -2.361 8.093 -2.818 245 HG3 GLN 37 2HG GLN 37 -2.881 8.580 -1.206 246 HE21 GLN 37 1HE2 GLN 37 -4.390 10.067 -1.466 247 HE22 GLN 37 2HE2 GLN 37 -4.278 11.456 -2.486 248 H ILE 38 H ILE 38 -0.948 7.649 -4.789 249 HA ILE 38 HA ILE 38 -0.570 10.150 -6.289 250 HB ILE 38 HB ILE 38 -1.047 7.332 -7.258 251 HG12 ILE 38 1HG1 ILE 38 1.191 8.116 -8.490 252 HG13 ILE 38 2HG1 ILE 38 1.302 9.154 -7.073 253 HG21 ILE 38 1HG2 ILE 38 -0.585 8.539 -9.532 254 HG22 ILE 38 2HG2 ILE 38 -2.210 8.516 -8.848 255 HG23 ILE 38 3HG2 ILE 38 -1.201 9.952 -8.674 256 HD11 ILE 38 1HD1 ILE 38 0.652 6.456 -6.317 257 HD12 ILE 38 2HD1 ILE 38 2.120 6.510 -7.294 258 HD13 ILE 38 3HD1 ILE 38 2.005 7.472 -5.821 259 H ASP 39 H ASP 39 -2.963 7.624 -5.594 260 HA ASP 39 HA ASP 39 -5.077 9.421 -6.564 261 HB2 ASP 39 1HB ASP 39 -4.736 6.900 -7.307 262 HB3 ASP 39 2HB ASP 39 -5.627 6.581 -5.822 263 H GLU 40 H GLU 40 -7.237 8.969 -5.301 264 HA GLU 40 HA GLU 40 -6.706 9.748 -2.571 265 HB2 GLU 40 1HB GLU 40 -8.489 10.764 -4.083 266 HB3 GLU 40 2HB GLU 40 -9.411 9.291 -3.821 267 HG2 GLU 40 1HG GLU 40 -10.272 10.780 -2.264 268 HG3 GLU 40 2HG GLU 40 -9.155 9.788 -1.329 269 H ASN 41 H ASN 41 -7.373 6.859 -4.232 270 HA ASN 41 HA ASN 41 -7.908 5.502 -1.676 271 HB2 ASN 41 1HB ASN 41 -9.362 5.289 -4.269 272 HB3 ASN 41 2HB ASN 41 -9.146 3.815 -3.329 273 HD21 ASN 41 1HD2 ASN 41 -11.576 5.288 -3.967 274 HD22 ASN 41 2HD2 ASN 41 -12.303 5.690 -2.452 275 H TRP 42 H TRP 42 -5.546 5.997 -3.619 276 HA TRP 42 HA TRP 42 -4.638 3.199 -3.623 277 HB2 TRP 42 1HB TRP 42 -4.135 5.251 -5.789 278 HB3 TRP 42 2HB TRP 42 -3.405 3.650 -5.723 279 HD1 TRP 42 HD TRP 42 -7.001 5.128 -5.814 280 HE1 TRP 42 1HE TRP 42 -8.453 3.571 -7.260 281 HE3 TRP 42 3HE TRP 42 -3.524 1.534 -6.878 282 HZ2 TRP 42 2HZ TRP 42 -8.163 1.140 -8.666 283 HZ3 TRP 42 3HZ TRP 42 -4.193 -0.375 -8.280 284 HH2 TRP 42 HH TRP 42 -6.464 -0.566 -9.153 285 H TYR 43 H TYR 43 -2.253 2.991 -3.652 286 HA TYR 43 HA TYR 43 -0.864 5.311 -2.512 287 HB2 TYR 43 1HB TYR 43 -1.237 2.620 -1.264 288 HB3 TYR 43 2HB TYR 43 0.279 3.474 -0.996 289 HD1 TYR 43 2HD TYR 43 -0.589 6.259 -0.774 290 HD2 TYR 43 1HD TYR 43 -2.394 2.719 0.747 291 HE1 TYR 43 2HE TYR 43 -1.643 7.573 1.018 292 HE2 TYR 43 1HE TYR 43 -3.455 4.023 2.542 293 HH TYR 43 HH TYR 43 -3.688 7.345 2.508 294 H GLU 44 H GLU 44 1.584 4.598 -2.196 295 HA GLU 44 HA GLU 44 2.449 2.985 -4.485 296 HB2 GLU 44 1HB GLU 44 2.375 5.495 -5.009 297 HB3 GLU 44 2HB GLU 44 3.723 5.647 -3.891 298 HG2 GLU 44 1HG GLU 44 4.906 3.910 -5.307 299 HG3 GLU 44 2HG GLU 44 3.629 4.162 -6.496 300 H GLY 45 H GLY 45 3.928 1.550 -3.883 301 HA2 GLY 45 1HA GLY 45 6.010 2.244 -1.999 302 HA3 GLY 45 2HA GLY 45 4.861 1.058 -1.396 303 H MET 46 H MET 46 7.110 -0.043 -1.334 304 HA MET 46 HA MET 46 7.601 -1.384 -3.909 305 HB2 MET 46 1HB MET 46 9.374 -0.580 -1.661 306 HB3 MET 46 2HB MET 46 9.766 -2.074 -2.502 307 HG2 MET 46 1HG MET 46 9.626 -0.709 -4.646 308 HG3 MET 46 2HG MET 46 9.645 0.711 -3.602 309 HE1 MET 46 1HE MET 46 13.094 0.281 -1.769 310 HE2 MET 46 2HE MET 46 11.552 1.136 -1.806 311 HE3 MET 46 3HE MET 46 11.623 -0.529 -1.228 312 H LEU 47 H LEU 47 7.171 -3.489 -4.091 313 HA LEU 47 HA LEU 47 6.921 -5.105 -1.651 314 HB2 LEU 47 1HB LEU 47 4.681 -4.410 -2.371 315 HB3 LEU 47 2HB LEU 47 4.982 -5.109 -3.960 316 HG LEU 47 HG LEU 47 5.169 -7.342 -2.870 317 HD11 LEU 47 1HD1 LEU 47 3.757 -6.881 -0.494 318 HD12 LEU 47 2HD1 LEU 47 5.085 -5.722 -0.505 319 HD13 LEU 47 3HD1 LEU 47 5.419 -7.445 -0.670 320 HD21 LEU 47 1HD2 LEU 47 2.689 -7.473 -2.311 321 HD22 LEU 47 2HD2 LEU 47 3.117 -6.887 -3.919 322 HD23 LEU 47 3HD2 LEU 47 2.632 -5.746 -2.664 323 H HIS 48 H HIS 48 8.634 -6.419 -1.886 324 HA HIS 48 HA HIS 48 9.989 -8.051 -2.707 325 HB2 HIS 48 1HB HIS 48 7.454 -8.568 -4.240 326 HB3 HIS 48 2HB HIS 48 8.896 -9.539 -4.523 327 HD1 HIS 48 1HD HIS 48 9.680 -11.088 -2.575 328 HD2 HIS 48 2HD HIS 48 6.095 -9.107 -1.878 329 HE1 HIS 48 1HE HIS 48 8.646 -12.245 -0.596 330 HE2 HIS 48 2HE HIS 48 6.438 -11.084 -0.246 331 H GLY 49 H GLY 49 10.254 -5.430 -3.787 332 HA2 GLY 49 1HA GLY 49 11.660 -4.497 -5.374 333 HA3 GLY 49 2HA GLY 49 11.787 -6.074 -6.139 334 H HIS 50 H HIS 50 8.633 -4.821 -5.521 335 HA HIS 50 HA HIS 50 8.352 -4.189 -8.386 336 HB2 HIS 50 1HB HIS 50 6.375 -5.442 -6.475 337 HB3 HIS 50 2HB HIS 50 5.934 -4.844 -8.072 338 HD1 HIS 50 1HD HIS 50 7.889 -5.951 -9.939 339 HD2 HIS 50 2HD HIS 50 6.635 -8.116 -6.622 340 HE1 HIS 50 1HE HIS 50 8.363 -8.359 -10.489 341 HE2 HIS 50 2HE HIS 50 7.518 -9.656 -8.502 342 H SER 51 H SER 51 7.829 -2.163 -8.855 343 HA SER 51 HA SER 51 6.783 -0.455 -6.703 344 HB2 SER 51 1HB SER 51 7.625 1.439 -8.092 345 HB3 SER 51 2HB SER 51 8.899 0.325 -7.596 346 HG SER 51 HG SER 51 8.007 0.953 -10.098 347 H GLY 52 H GLY 52 4.608 -0.522 -6.811 348 HA2 GLY 52 1HA GLY 52 3.366 0.538 -9.228 349 HA3 GLY 52 2HA GLY 52 2.853 -1.067 -8.728 350 H PHE 53 H PHE 53 0.896 0.679 -8.873 351 HA PHE 53 HA PHE 53 0.493 1.779 -6.181 352 HB2 PHE 53 1HB PHE 53 -1.386 2.294 -8.454 353 HB3 PHE 53 2HB PHE 53 -0.988 3.323 -7.082 354 HD1 PHE 53 2HD PHE 53 1.755 3.767 -7.072 355 HD2 PHE 53 1HD PHE 53 -0.761 3.192 -10.457 356 HE1 PHE 53 2HE PHE 53 3.356 5.008 -8.468 357 HE2 PHE 53 1HE PHE 53 0.837 4.432 -11.859 358 HZ PHE 53 HZ PHE 53 2.898 5.343 -10.865 359 H PHE 54 H PHE 54 -0.933 0.904 -4.818 360 HA PHE 54 HA PHE 54 -2.820 -1.094 -5.880 361 HB2 PHE 54 1HB PHE 54 -2.571 -2.182 -3.572 362 HB3 PHE 54 2HB PHE 54 -1.229 -2.367 -4.696 363 HD1 PHE 54 1HD PHE 54 0.749 -0.785 -4.454 364 HD2 PHE 54 2HD PHE 54 -2.237 -1.267 -1.459 365 HE1 PHE 54 1HE PHE 54 2.285 0.153 -2.776 366 HE2 PHE 54 2HE PHE 54 -0.707 -0.329 0.223 367 HZ PHE 54 HZ PHE 54 1.558 0.383 -0.434 368 HA PRO 55 HA PRO 55 -6.087 1.095 -3.934 369 HB2 PRO 55 1HB PRO 55 -7.742 -0.933 -3.214 370 HB3 PRO 55 2HB PRO 55 -7.521 -0.423 -4.892 371 HG2 PRO 55 1HG PRO 55 -6.276 -2.720 -3.431 372 HG3 PRO 55 2HG PRO 55 -6.946 -2.668 -5.073 373 HD2 PRO 55 1HD PRO 55 -4.287 -2.530 -4.579 374 HD3 PRO 55 2HD PRO 55 -5.048 -1.700 -5.952 375 H ILE 56 H ILE 56 -6.936 1.697 -1.935 376 HA ILE 56 HA ILE 56 -5.454 0.676 0.369 377 HB ILE 56 HB ILE 56 -7.287 3.070 0.289 378 HG12 ILE 56 1HG1 ILE 56 -4.281 3.022 -0.047 379 HG13 ILE 56 2HG1 ILE 56 -5.427 3.257 -1.363 380 HG21 ILE 56 1HG2 ILE 56 -6.793 2.150 2.510 381 HG22 ILE 56 2HG2 ILE 56 -5.069 2.319 2.187 382 HG23 ILE 56 3HG2 ILE 56 -6.091 3.752 2.289 383 HD11 ILE 56 1HD1 ILE 56 -4.391 5.342 -0.481 384 HD12 ILE 56 2HD1 ILE 56 -6.155 5.330 -0.454 385 HD13 ILE 56 3HD1 ILE 56 -5.248 5.060 1.034 386 H ASN 57 H ASN 57 -8.546 0.504 -1.066 387 HA ASN 57 HA ASN 57 -10.077 0.053 1.300 388 HB2 ASN 57 1HB ASN 57 -10.852 0.724 -1.112 389 HB3 ASN 57 2HB ASN 57 -10.885 -1.016 -1.382 390 HD21 ASN 57 1HD2 ASN 57 -13.087 -1.126 -1.614 391 HD22 ASN 57 2HD2 ASN 57 -14.185 -0.887 -0.302 392 H TYR 58 H TYR 58 -7.639 -1.703 0.089 393 HA TYR 58 HA TYR 58 -8.841 -4.267 0.907 394 HB2 TYR 58 1HB TYR 58 -6.917 -3.582 -1.271 395 HB3 TYR 58 2HB TYR 58 -6.764 -5.149 -0.483 396 HD1 TYR 58 2HD TYR 58 -9.309 -6.217 -0.111 397 HD2 TYR 58 1HD TYR 58 -8.025 -3.687 -3.281 398 HE1 TYR 58 2HE TYR 58 -11.096 -7.115 -1.543 399 HE2 TYR 58 1HE TYR 58 -9.809 -4.577 -4.722 400 HH TYR 58 HH TYR 58 -11.811 -5.736 -4.669 401 H VAL 59 H VAL 59 -6.223 -2.023 1.295 402 HA VAL 59 HA VAL 59 -5.008 -3.796 3.313 403 HB VAL 59 HB VAL 59 -2.902 -2.805 2.943 404 HG11 VAL 59 1HG1 VAL 59 -2.937 -2.765 0.237 405 HG12 VAL 59 2HG1 VAL 59 -2.905 -4.240 1.207 406 HG13 VAL 59 3HG1 VAL 59 -4.435 -3.633 0.574 407 HG21 VAL 59 1HG2 VAL 59 -3.574 -0.481 2.859 408 HG22 VAL 59 2HG2 VAL 59 -2.566 -0.859 1.462 409 HG23 VAL 59 3HG2 VAL 59 -4.314 -0.724 1.277 410 H GLU 60 H GLU 60 -3.844 -2.524 5.075 411 HA GLU 60 HA GLU 60 -5.474 -0.199 5.864 412 HB2 GLU 60 1HB GLU 60 -6.055 -2.194 7.184 413 HB3 GLU 60 2HB GLU 60 -4.373 -2.361 7.668 414 HG2 GLU 60 1HG GLU 60 -4.508 -0.157 8.769 415 HG3 GLU 60 2HG GLU 60 -6.220 -0.086 8.353 416 H ILE 61 H ILE 61 -4.428 1.546 6.698 417 HA ILE 61 HA ILE 61 -1.517 1.531 6.477 418 HB ILE 61 HB ILE 61 -3.474 3.809 6.783 419 HG12 ILE 61 1HG1 ILE 61 -3.545 2.835 4.574 420 HG13 ILE 61 2HG1 ILE 61 -2.682 4.366 4.479 421 HG21 ILE 61 1HG2 ILE 61 -0.587 3.691 7.173 422 HG22 ILE 61 2HG2 ILE 61 -1.087 4.906 5.997 423 HG23 ILE 61 3HG2 ILE 61 -1.744 4.940 7.633 424 HD11 ILE 61 1HD1 ILE 61 -1.115 3.248 3.380 425 HD12 ILE 61 2HD1 ILE 61 -0.683 2.525 4.931 426 HD13 ILE 61 3HD1 ILE 61 -1.792 1.688 3.845 427 H LEU 62 H LEU 62 -0.652 0.716 8.314 428 HA LEU 62 HA LEU 62 -1.701 1.251 10.915 429 HB2 LEU 62 1HB LEU 62 1.031 0.205 10.200 430 HB3 LEU 62 2HB LEU 62 0.200 0.040 11.745 431 HG LEU 62 HG LEU 62 -0.655 -1.255 9.157 432 HD11 LEU 62 1HD1 LEU 62 0.626 -2.485 11.592 433 HD12 LEU 62 2HD1 LEU 62 1.451 -2.159 10.069 434 HD13 LEU 62 3HD1 LEU 62 0.127 -3.322 10.122 435 HD21 LEU 62 1HD2 LEU 62 -2.575 -0.885 10.502 436 HD22 LEU 62 2HD2 LEU 62 -1.729 -1.387 11.967 437 HD23 LEU 62 3HD2 LEU 62 -2.117 -2.575 10.721 438 H VAL 63 H VAL 63 0.964 2.531 8.989 439 HA VAL 63 HA VAL 63 1.371 4.602 11.048 440 HB VAL 63 HB VAL 63 3.342 3.378 9.125 441 HG11 VAL 63 1HG1 VAL 63 3.385 6.015 10.493 442 HG12 VAL 63 2HG1 VAL 63 4.890 5.097 10.408 443 HG13 VAL 63 3HG1 VAL 63 4.042 5.541 8.926 444 HG21 VAL 63 1HG2 VAL 63 3.693 2.088 10.918 445 HG22 VAL 63 2HG2 VAL 63 4.473 3.503 11.626 446 HG23 VAL 63 3HG2 VAL 63 2.779 3.160 11.978 447 H ALA 64 H ALA 64 0.354 6.396 10.430 448 HA ALA 64 HA ALA 64 -0.360 7.051 7.795 449 HB1 ALA 64 1HB ALA 64 -0.115 8.779 10.252 450 HB2 ALA 64 2HB ALA 64 -0.813 9.323 8.725 451 HB3 ALA 64 3HB ALA 64 -1.571 8.006 9.622 452 H LEU 65 H LEU 65 0.807 7.810 6.163 453 HA LEU 65 HA LEU 65 3.517 8.186 6.139 454 HB2 LEU 65 1HB LEU 65 1.387 9.437 4.424 455 HB3 LEU 65 2HB LEU 65 3.109 9.624 4.097 456 HG LEU 65 HG LEU 65 1.898 6.893 4.304 457 HD11 LEU 65 1HD1 LEU 65 0.705 8.551 2.644 458 HD12 LEU 65 2HD1 LEU 65 1.080 6.894 2.171 459 HD13 LEU 65 3HD1 LEU 65 2.124 8.217 1.650 460 HD21 LEU 65 1HD2 LEU 65 4.255 8.065 2.831 461 HD22 LEU 65 2HD2 LEU 65 3.726 6.386 2.714 462 HD23 LEU 65 3HD2 LEU 65 4.304 7.023 4.254 463 HA PRO 66 HA PRO 66 4.413 12.000 8.126 464 HB2 PRO 66 1HB PRO 66 6.643 12.746 6.769 465 HB3 PRO 66 2HB PRO 66 6.629 11.423 7.941 466 HG2 PRO 66 1HG PRO 66 6.486 11.308 4.953 467 HG3 PRO 66 2HG PRO 66 7.423 10.297 6.068 468 HD2 PRO 66 1HD PRO 66 5.089 9.476 4.969 469 HD3 PRO 66 2HD PRO 66 5.611 8.972 6.589 470 H HIS 67 H HIS 67 3.253 11.819 5.019 471 HA HIS 67 HA HIS 67 2.440 14.546 4.986 472 HB2 HIS 67 1HB HIS 67 3.570 15.022 2.734 473 HB3 HIS 67 2HB HIS 67 4.578 15.111 4.175 474 HD1 HIS 67 1HD HIS 67 6.802 14.188 3.659 475 HD2 HIS 67 2HD HIS 67 3.779 12.049 1.774 476 HE1 HIS 67 1HE HIS 67 7.961 12.320 2.437 477 HE2 HIS 67 2HE HIS 67 6.120 11.091 1.235 478 H SER 68 H SER 68 1.251 15.065 2.905 479 HA SER 68 HA SER 68 -0.071 12.619 1.934 480 HB2 SER 68 1HB SER 68 -1.378 14.391 3.303 481 HB3 SER 68 2HB SER 68 -1.316 15.356 1.828 482 HG SER 68 HG SER 68 -2.487 12.802 2.189 483 H GLY 69 H GLY 69 2.279 13.417 0.702 484 HA2 GLY 69 1HA GLY 69 2.753 13.291 -1.632 485 HA3 GLY 69 2HA GLY 69 1.250 14.145 -1.951 486 HA PRO 70 HA PRO 70 4.957 17.049 -2.122 487 HB2 PRO 70 1HB PRO 70 4.712 17.714 -4.743 488 HB3 PRO 70 2HB PRO 70 5.681 16.345 -4.186 489 HG2 PRO 70 1HG PRO 70 2.907 16.369 -5.312 490 HG3 PRO 70 2HG PRO 70 4.244 15.254 -5.653 491 HD2 PRO 70 1HD PRO 70 2.216 14.627 -3.972 492 HD3 PRO 70 2HD PRO 70 3.869 14.022 -3.742 493 H SER 71 H SER 71 3.663 18.408 -0.802 494 HA SER 71 HA SER 71 1.589 19.989 -2.113 495 HB2 SER 71 1HB SER 71 2.476 19.804 0.773 496 HB3 SER 71 2HB SER 71 1.220 20.903 0.203 497 HG SER 71 HG SER 71 0.192 19.073 0.880 498 H SER 72 H SER 72 1.598 22.393 -1.237 499 HA SER 72 HA SER 72 3.712 23.706 -2.518 500 HB2 SER 72 1HB SER 72 1.339 24.565 -1.916 501 HB3 SER 72 2HB SER 72 2.063 25.029 -0.377 502 HG SER 72 HG SER 72 3.230 26.534 -1.355 503 H GLY 73 H GLY 73 5.698 23.027 -1.727 504 HA2 GLY 73 1HA GLY 73 6.279 23.660 1.092 505 HA3 GLY 73 2HA GLY 73 7.202 22.546 0.093 Start of MODEL 4 1 H1 GLY 1 H GLY 1 6.707 -5.633 18.436 2 HA2 GLY 1 1HA GLY 1 8.151 -5.318 20.207 3 HA3 GLY 1 2HA GLY 1 9.210 -6.343 19.251 4 H SER 2 H SER 2 10.869 -5.055 20.411 5 HA SER 2 HA SER 2 11.234 -2.306 19.959 6 HB2 SER 2 1HB SER 2 13.586 -2.718 20.648 7 HB3 SER 2 2HB SER 2 12.421 -3.464 21.742 8 HG SER 2 HG SER 2 12.830 -5.448 20.766 9 H SER 3 H SER 3 12.781 -5.096 18.368 10 HA SER 3 HA SER 3 13.965 -3.418 16.347 11 HB2 SER 3 1HB SER 3 13.823 -6.431 16.608 12 HB3 SER 3 2HB SER 3 14.754 -5.573 15.381 13 HG SER 3 HG SER 3 15.777 -4.497 17.270 14 H GLY 4 H GLY 4 12.381 -2.444 15.146 15 HA2 GLY 4 1HA GLY 4 10.903 -4.225 13.347 16 HA3 GLY 4 2HA GLY 4 9.983 -3.055 14.281 17 H SER 5 H SER 5 10.541 -3.418 11.330 18 HA SER 5 HA SER 5 12.193 -1.561 10.219 19 HB2 SER 5 1HB SER 5 10.954 -2.947 8.748 20 HB3 SER 5 2HB SER 5 9.412 -2.402 9.406 21 HG SER 5 HG SER 5 9.589 -1.229 7.606 22 H SER 6 H SER 6 12.470 0.544 10.481 23 HA SER 6 HA SER 6 10.435 2.127 11.808 24 HB2 SER 6 1HB SER 6 12.790 2.357 12.485 25 HB3 SER 6 2HB SER 6 13.207 2.896 10.859 26 HG SER 6 HG SER 6 11.897 4.711 11.179 27 H GLY 7 H GLY 7 8.812 2.279 10.234 28 HA2 GLY 7 1HA GLY 7 8.855 4.519 8.591 29 HA3 GLY 7 2HA GLY 7 9.283 3.150 7.574 30 HA PRO 8 HA PRO 8 4.584 3.635 8.201 31 HB2 PRO 8 1HB PRO 8 3.966 4.714 5.788 32 HB3 PRO 8 2HB PRO 8 4.336 5.694 7.212 33 HG2 PRO 8 1HG PRO 8 6.104 4.948 4.914 34 HG3 PRO 8 2HG PRO 8 5.931 6.512 5.731 35 HD2 PRO 8 1HD PRO 8 7.983 4.820 6.242 36 HD3 PRO 8 2HD PRO 8 7.297 5.891 7.480 37 H CYS 9 H CYS 9 3.595 1.764 7.810 38 HA CYS 9 HA CYS 9 3.882 0.502 5.186 39 HB2 CYS 9 1HB CYS 9 4.288 -1.693 6.167 40 HB3 CYS 9 2HB CYS 9 5.549 -0.567 6.656 41 HG CYS 9 HG CYS 9 5.346 -1.585 9.034 42 H CYS 10 H CYS 10 2.240 -1.161 4.786 43 HA CYS 10 HA CYS 10 -0.173 -0.785 6.431 44 HB2 CYS 10 1HB CYS 10 -1.550 -0.644 4.498 45 HB3 CYS 10 2HB CYS 10 -0.210 0.463 4.224 46 HG CYS 10 HG CYS 10 -0.434 -2.678 2.882 47 H ARG 11 H ARG 11 -1.695 -2.545 6.382 48 HA ARG 11 HA ARG 11 -0.403 -5.120 5.766 49 HB2 ARG 11 1HB ARG 11 -0.904 -4.556 8.196 50 HB3 ARG 11 2HB ARG 11 -2.607 -4.683 7.777 51 HG2 ARG 11 1HG ARG 11 -2.504 -6.959 7.471 52 HG3 ARG 11 2HG ARG 11 -0.772 -6.941 7.134 53 HD2 ARG 11 1HD ARG 11 -2.094 -6.516 9.810 54 HD3 ARG 11 2HD ARG 11 -1.180 -7.936 9.302 55 HE ARG 11 HE ARG 11 0.408 -5.604 9.085 56 HH11 ARG 11 2HH1 ARG 11 -0.926 -7.807 11.428 57 HH12 ARG 11 1HH1 ARG 11 0.329 -7.534 12.591 58 HH21 ARG 11 2HH2 ARG 11 2.066 -5.237 10.608 59 HH22 ARG 11 1HH2 ARG 11 2.029 -6.072 12.124 60 H ALA 12 H ALA 12 -1.437 -6.570 4.504 61 HA ALA 12 HA ALA 12 -3.806 -5.672 3.101 62 HB1 ALA 12 1HB ALA 12 -2.212 -8.205 2.735 63 HB2 ALA 12 2HB ALA 12 -3.434 -7.564 1.637 64 HB3 ALA 12 3HB ALA 12 -1.923 -6.688 1.883 65 H LEU 13 H LEU 13 -5.831 -6.409 3.365 66 HA LEU 13 HA LEU 13 -6.322 -8.267 5.553 67 HB2 LEU 13 1HB LEU 13 -8.256 -6.656 3.895 68 HB3 LEU 13 2HB LEU 13 -8.656 -7.588 5.337 69 HG LEU 13 HG LEU 13 -6.678 -5.339 5.468 70 HD11 LEU 13 1HD1 LEU 13 -8.413 -4.111 4.596 71 HD12 LEU 13 2HD1 LEU 13 -8.786 -4.052 6.318 72 HD13 LEU 13 3HD1 LEU 13 -9.649 -5.174 5.267 73 HD21 LEU 13 1HD2 LEU 13 -7.335 -5.276 7.782 74 HD22 LEU 13 2HD2 LEU 13 -6.909 -6.933 7.351 75 HD23 LEU 13 3HD2 LEU 13 -8.604 -6.467 7.495 76 H TYR 14 H TYR 14 -6.902 -7.973 2.084 77 HA TYR 14 HA TYR 14 -7.575 -10.839 2.037 78 HB2 TYR 14 1HB TYR 14 -8.856 -8.586 0.491 79 HB3 TYR 14 2HB TYR 14 -9.027 -10.275 0.028 80 HD1 TYR 14 2HD TYR 14 -9.884 -11.873 1.933 81 HD2 TYR 14 1HD TYR 14 -10.422 -7.652 1.917 82 HE1 TYR 14 2HE TYR 14 -11.772 -12.113 3.491 83 HE2 TYR 14 1HE TYR 14 -12.310 -7.881 3.476 84 HH TYR 14 HH TYR 14 -12.937 -10.666 5.207 85 H ASP 15 H ASP 15 -7.532 -11.492 -0.490 86 HA ASP 15 HA ASP 15 -4.814 -10.813 -1.360 87 HB2 ASP 15 1HB ASP 15 -5.503 -13.225 -0.928 88 HB3 ASP 15 2HB ASP 15 -6.511 -13.096 -2.367 89 H PHE 16 H PHE 16 -4.436 -9.741 -3.198 90 HA PHE 16 HA PHE 16 -6.659 -9.408 -5.099 91 HB2 PHE 16 1HB PHE 16 -6.511 -7.336 -3.905 92 HB3 PHE 16 2HB PHE 16 -4.758 -7.302 -4.064 93 HD1 PHE 16 2HD PHE 16 -7.871 -7.259 -6.099 94 HD2 PHE 16 1HD PHE 16 -3.783 -6.116 -5.792 95 HE1 PHE 16 2HE PHE 16 -8.090 -5.935 -8.162 96 HE2 PHE 16 1HE PHE 16 -3.995 -4.789 -7.853 97 HZ PHE 16 HZ PHE 16 -6.150 -4.699 -9.042 98 H GLU 17 H GLU 17 -6.163 -10.098 -7.065 99 HA GLU 17 HA GLU 17 -3.372 -10.575 -7.755 100 HB2 GLU 17 1HB GLU 17 -4.182 -11.954 -9.523 101 HB3 GLU 17 2HB GLU 17 -5.155 -12.316 -8.104 102 HG2 GLU 17 1HG GLU 17 -6.794 -12.171 -9.666 103 HG3 GLU 17 2HG GLU 17 -6.740 -10.490 -9.139 104 HA PRO 18 HA PRO 18 -3.007 -6.982 -10.275 105 HB2 PRO 18 1HB PRO 18 -0.967 -7.798 -11.869 106 HB3 PRO 18 2HB PRO 18 -0.739 -7.335 -10.178 107 HG2 PRO 18 1HG PRO 18 -0.980 -10.067 -11.378 108 HG3 PRO 18 2HG PRO 18 0.140 -9.487 -10.131 109 HD2 PRO 18 1HD PRO 18 -2.088 -10.909 -9.541 110 HD3 PRO 18 2HD PRO 18 -1.435 -9.664 -8.456 111 H GLU 19 H GLU 19 -4.454 -6.464 -11.787 112 HA GLU 19 HA GLU 19 -5.041 -8.373 -13.931 113 HB2 GLU 19 1HB GLU 19 -7.067 -7.126 -14.307 114 HB3 GLU 19 2HB GLU 19 -6.923 -7.458 -12.587 115 HG2 GLU 19 1HG GLU 19 -6.046 -5.174 -12.256 116 HG3 GLU 19 2HG GLU 19 -6.317 -4.855 -13.969 117 H ASN 20 H ASN 20 -4.022 -5.038 -13.382 118 HA ASN 20 HA ASN 20 -3.611 -4.667 -16.256 119 HB2 ASN 20 1HB ASN 20 -3.867 -2.832 -13.916 120 HB3 ASN 20 2HB ASN 20 -2.929 -2.285 -15.303 121 HD21 ASN 20 1HD2 ASN 20 -6.055 -2.975 -14.060 122 HD22 ASN 20 2HD2 ASN 20 -6.959 -2.432 -15.428 123 H GLU 21 H GLU 21 -1.558 -3.156 -16.633 124 HA GLU 21 HA GLU 21 0.698 -4.796 -15.904 125 HB2 GLU 21 1HB GLU 21 1.971 -3.379 -17.418 126 HB3 GLU 21 2HB GLU 21 0.468 -3.885 -18.178 127 HG2 GLU 21 1HG GLU 21 0.454 -1.692 -18.748 128 HG3 GLU 21 2HG GLU 21 -0.390 -1.590 -17.204 129 H GLY 22 H GLY 22 -0.368 -1.467 -15.301 130 HA2 GLY 22 1HA GLY 22 1.918 -0.967 -13.575 131 HA3 GLY 22 2HA GLY 22 0.648 0.177 -13.983 132 H GLU 23 H GLU 23 0.445 -3.076 -12.569 133 HA GLU 23 HA GLU 23 -0.812 -1.856 -10.199 134 HB2 GLU 23 1HB GLU 23 -1.559 -4.376 -11.679 135 HB3 GLU 23 2HB GLU 23 -2.120 -4.031 -10.049 136 HG2 GLU 23 1HG GLU 23 -2.566 -2.108 -12.302 137 HG3 GLU 23 2HG GLU 23 -3.662 -3.454 -11.997 138 H LEU 24 H LEU 24 -0.650 -3.150 -8.220 139 HA LEU 24 HA LEU 24 1.708 -4.910 -8.186 140 HB2 LEU 24 1HB LEU 24 2.446 -2.801 -7.343 141 HB3 LEU 24 2HB LEU 24 1.036 -2.667 -6.294 142 HG LEU 24 HG LEU 24 1.970 -4.755 -5.117 143 HD11 LEU 24 1HD1 LEU 24 4.688 -4.015 -5.722 144 HD12 LEU 24 2HD1 LEU 24 3.845 -4.568 -7.168 145 HD13 LEU 24 3HD1 LEU 24 3.922 -5.604 -5.743 146 HD21 LEU 24 1HD2 LEU 24 2.787 -1.937 -4.940 147 HD22 LEU 24 2HD2 LEU 24 3.844 -3.080 -4.112 148 HD23 LEU 24 3HD2 LEU 24 2.129 -3.012 -3.706 149 H GLY 25 H GLY 25 0.453 -6.768 -8.068 150 HA2 GLY 25 1HA GLY 25 -1.746 -7.149 -6.361 151 HA3 GLY 25 2HA GLY 25 -0.755 -8.429 -7.044 152 H PHE 26 H PHE 26 -1.940 -7.538 -4.254 153 HA PHE 26 HA PHE 26 0.521 -8.061 -2.724 154 HB2 PHE 26 1HB PHE 26 -0.796 -7.118 -0.778 155 HB3 PHE 26 2HB PHE 26 -0.390 -5.967 -2.047 156 HD1 PHE 26 1HD PHE 26 -3.137 -8.325 -1.143 157 HD2 PHE 26 2HD PHE 26 -2.040 -4.541 -2.753 158 HE1 PHE 26 1HE PHE 26 -5.515 -7.729 -1.353 159 HE2 PHE 26 2HE PHE 26 -4.415 -3.938 -2.965 160 HZ PHE 26 HZ PHE 26 -6.157 -5.532 -2.263 161 H LYS 27 H LYS 27 -0.009 -9.167 -0.542 162 HA LYS 27 HA LYS 27 -1.942 -11.342 -1.005 163 HB2 LYS 27 1HB LYS 27 0.799 -11.577 0.251 164 HB3 LYS 27 2HB LYS 27 -0.375 -12.880 0.120 165 HG2 LYS 27 1HG LYS 27 0.639 -11.441 -2.305 166 HG3 LYS 27 2HG LYS 27 1.522 -12.791 -1.589 167 HD2 LYS 27 1HD LYS 27 -1.386 -13.102 -2.186 168 HD3 LYS 27 2HD LYS 27 -0.219 -13.201 -3.507 169 HE2 LYS 27 1HE LYS 27 0.010 -14.824 -0.982 170 HE3 LYS 27 2HE LYS 27 -0.848 -15.390 -2.414 171 HZ1 LYS 27 1HZ LYS 27 2.034 -14.719 -2.203 172 HZ2 LYS 27 2HZ LYS 27 1.251 -15.040 -3.667 173 HZ3 LYS 27 3HZ LYS 27 1.355 -16.243 -2.483 174 H GLU 28 H GLU 28 -3.090 -12.080 0.762 175 HA GLU 28 HA GLU 28 -3.759 -10.293 2.760 176 HB2 GLU 28 1HB GLU 28 -5.145 -12.223 2.140 177 HB3 GLU 28 2HB GLU 28 -3.959 -13.309 2.851 178 HG2 GLU 28 1HG GLU 28 -4.445 -12.586 5.031 179 HG3 GLU 28 2HG GLU 28 -5.328 -11.175 4.452 180 H GLY 29 H GLY 29 -2.538 -9.483 4.326 181 HA2 GLY 29 1HA GLY 29 -1.458 -9.786 6.443 182 HA3 GLY 29 2HA GLY 29 -0.834 -11.324 5.863 183 H ASP 30 H ASP 30 0.115 -10.395 3.342 184 HA ASP 30 HA ASP 30 2.714 -9.688 3.947 185 HB2 ASP 30 1HB ASP 30 1.050 -9.514 1.470 186 HB3 ASP 30 2HB ASP 30 2.633 -8.742 1.478 187 H ILE 31 H ILE 31 3.813 -7.827 4.267 188 HA ILE 31 HA ILE 31 2.225 -5.405 4.628 189 HB ILE 31 HB ILE 31 5.107 -5.918 5.371 190 HG12 ILE 31 1HG1 ILE 31 3.548 -7.386 6.591 191 HG13 ILE 31 2HG1 ILE 31 4.285 -6.196 7.658 192 HG21 ILE 31 1HG2 ILE 31 3.342 -3.574 5.526 193 HG22 ILE 31 2HG2 ILE 31 4.245 -3.935 6.996 194 HG23 ILE 31 3HG2 ILE 31 5.102 -3.671 5.478 195 HD11 ILE 31 1HD1 ILE 31 2.243 -5.705 8.352 196 HD12 ILE 31 2HD1 ILE 31 1.944 -4.997 6.764 197 HD13 ILE 31 3HD1 ILE 31 1.510 -6.677 7.076 198 H ILE 32 H ILE 32 2.141 -3.916 3.094 199 HA ILE 32 HA ILE 32 4.207 -3.880 1.018 200 HB ILE 32 HB ILE 32 1.517 -2.508 1.078 201 HG12 ILE 32 1HG1 ILE 32 1.242 -4.257 -0.889 202 HG13 ILE 32 2HG1 ILE 32 2.480 -5.128 0.009 203 HG21 ILE 32 1HG2 ILE 32 2.277 -2.594 -1.527 204 HG22 ILE 32 2HG2 ILE 32 2.490 -1.203 -0.466 205 HG23 ILE 32 3HG2 ILE 32 3.824 -2.327 -0.723 206 HD11 ILE 32 1HD1 ILE 32 -0.220 -5.283 0.424 207 HD12 ILE 32 2HD1 ILE 32 1.032 -5.784 1.562 208 HD13 ILE 32 3HD1 ILE 32 0.310 -4.180 1.694 209 H THR 33 H THR 33 5.837 -2.524 1.329 210 HA THR 33 HA THR 33 6.011 -0.500 3.197 211 HB THR 33 HB THR 33 7.456 -0.487 0.542 212 HG1 THR 33 1HG THR 33 7.705 -2.118 2.801 213 HG21 THR 33 1HG2 THR 33 9.276 0.493 2.043 214 HG22 THR 33 2HG2 THR 33 7.999 0.738 3.236 215 HG23 THR 33 3HG2 THR 33 7.904 1.535 1.665 216 H LEU 34 H LEU 34 6.178 1.843 2.878 217 HA LEU 34 HA LEU 34 4.347 2.832 0.794 218 HB2 LEU 34 1HB LEU 34 4.412 3.382 3.724 219 HB3 LEU 34 2HB LEU 34 3.877 4.651 2.625 220 HG LEU 34 HG LEU 34 2.625 1.914 2.681 221 HD11 LEU 34 1HD1 LEU 34 1.266 2.458 4.386 222 HD12 LEU 34 2HD1 LEU 34 1.192 4.159 3.927 223 HD13 LEU 34 3HD1 LEU 34 2.578 3.549 4.831 224 HD21 LEU 34 1HD2 LEU 34 2.343 4.240 1.044 225 HD22 LEU 34 2HD2 LEU 34 0.845 3.967 1.934 226 HD23 LEU 34 3HD2 LEU 34 1.516 2.686 0.922 227 H THR 35 H THR 35 5.057 4.505 -0.383 228 HA THR 35 HA THR 35 7.432 5.966 0.571 229 HB THR 35 HB THR 35 8.228 6.106 -1.761 230 HG1 THR 35 1HG THR 35 6.122 4.256 -2.292 231 HG21 THR 35 1HG2 THR 35 9.099 3.877 -1.920 232 HG22 THR 35 2HG2 THR 35 7.776 3.237 -0.945 233 HG23 THR 35 3HG2 THR 35 8.982 4.292 -0.210 234 H ASN 36 H ASN 36 4.851 6.075 -1.892 235 HA ASN 36 HA ASN 36 4.214 8.795 -1.100 236 HB2 ASN 36 1HB ASN 36 5.454 8.070 -3.722 237 HB3 ASN 36 2HB ASN 36 4.234 9.340 -3.687 238 HD21 ASN 36 1HD2 ASN 36 7.460 8.696 -3.444 239 HD22 ASN 36 2HD2 ASN 36 7.978 10.145 -2.657 240 H GLN 37 H GLN 37 2.342 9.617 -2.573 241 HA GLN 37 HA GLN 37 0.544 7.373 -3.194 242 HB2 GLN 37 1HB GLN 37 -0.189 8.209 -1.077 243 HB3 GLN 37 2HB GLN 37 -0.077 9.875 -1.627 244 HG2 GLN 37 1HG GLN 37 -1.864 9.226 -3.341 245 HG3 GLN 37 2HG GLN 37 -2.112 7.798 -2.338 246 HE21 GLN 37 1HE2 GLN 37 -4.226 8.482 -1.881 247 HE22 GLN 37 2HE2 GLN 37 -4.540 9.754 -0.755 248 H ILE 38 H ILE 38 -0.566 7.526 -5.060 249 HA ILE 38 HA ILE 38 -0.174 9.971 -6.645 250 HB ILE 38 HB ILE 38 -0.776 7.144 -7.511 251 HG12 ILE 38 1HG1 ILE 38 1.443 7.815 -8.841 252 HG13 ILE 38 2HG1 ILE 38 1.638 8.888 -7.459 253 HG21 ILE 38 1HG2 ILE 38 -0.473 8.133 -9.836 254 HG22 ILE 38 2HG2 ILE 38 -1.994 8.477 -9.014 255 HG23 ILE 38 3HG2 ILE 38 -0.730 9.705 -9.079 256 HD11 ILE 38 1HD1 ILE 38 2.579 6.398 -7.519 257 HD12 ILE 38 2HD1 ILE 38 2.055 7.191 -6.033 258 HD13 ILE 38 3HD1 ILE 38 0.973 6.075 -6.866 259 H ASP 39 H ASP 39 -2.616 7.541 -5.793 260 HA ASP 39 HA ASP 39 -4.708 9.379 -6.734 261 HB2 ASP 39 1HB ASP 39 -5.151 6.507 -5.947 262 HB3 ASP 39 2HB ASP 39 -6.144 7.526 -6.986 263 H GLU 40 H GLU 40 -6.858 8.844 -5.362 264 HA GLU 40 HA GLU 40 -6.199 9.725 -2.673 265 HB2 GLU 40 1HB GLU 40 -8.030 10.715 -4.208 266 HB3 GLU 40 2HB GLU 40 -8.982 9.316 -3.732 267 HG2 GLU 40 1HG GLU 40 -8.839 9.965 -1.408 268 HG3 GLU 40 2HG GLU 40 -7.796 11.322 -1.828 269 H ASN 41 H ASN 41 -6.932 6.826 -4.251 270 HA ASN 41 HA ASN 41 -7.485 5.533 -1.665 271 HB2 ASN 41 1HB ASN 41 -8.927 5.254 -4.265 272 HB3 ASN 41 2HB ASN 41 -8.756 3.825 -3.249 273 HD21 ASN 41 1HD2 ASN 41 -11.068 5.586 -4.031 274 HD22 ASN 41 2HD2 ASN 41 -11.830 5.979 -2.531 275 H TRP 42 H TRP 42 -5.203 5.932 -3.828 276 HA TRP 42 HA TRP 42 -4.296 3.132 -3.690 277 HB2 TRP 42 1HB TRP 42 -3.730 5.104 -5.915 278 HB3 TRP 42 2HB TRP 42 -3.142 3.446 -5.826 279 HD1 TRP 42 HD TRP 42 -6.631 5.173 -5.788 280 HE1 TRP 42 1HE TRP 42 -8.226 3.745 -7.217 281 HE3 TRP 42 3HE TRP 42 -3.417 1.412 -7.079 282 HZ2 TRP 42 2HZ TRP 42 -8.134 1.343 -8.696 283 HZ3 TRP 42 3HZ TRP 42 -4.250 -0.413 -8.503 284 HH2 TRP 42 HH TRP 42 -6.559 -0.446 -9.294 285 H TYR 43 H TYR 43 -2.101 2.780 -3.288 286 HA TYR 43 HA TYR 43 -0.603 5.152 -2.385 287 HB2 TYR 43 1HB TYR 43 -0.984 2.475 -1.096 288 HB3 TYR 43 2HB TYR 43 0.506 3.368 -0.809 289 HD1 TYR 43 2HD TYR 43 -0.423 6.135 -0.650 290 HD2 TYR 43 1HD TYR 43 -2.195 2.583 0.882 291 HE1 TYR 43 2HE TYR 43 -1.546 7.454 1.095 292 HE2 TYR 43 1HE TYR 43 -3.324 3.893 2.631 293 HH TYR 43 HH TYR 43 -2.872 7.410 2.871 294 H GLU 44 H GLU 44 1.794 4.751 -2.277 295 HA GLU 44 HA GLU 44 2.644 3.040 -4.522 296 HB2 GLU 44 1HB GLU 44 2.710 5.680 -4.689 297 HB3 GLU 44 2HB GLU 44 4.201 5.477 -3.781 298 HG2 GLU 44 1HG GLU 44 4.856 3.794 -5.591 299 HG3 GLU 44 2HG GLU 44 3.531 4.486 -6.525 300 H GLY 45 H GLY 45 3.936 1.441 -3.917 301 HA2 GLY 45 1HA GLY 45 5.966 1.929 -1.868 302 HA3 GLY 45 2HA GLY 45 4.810 0.641 -1.563 303 H MET 46 H MET 46 7.219 -0.267 -1.521 304 HA MET 46 HA MET 46 7.775 -1.337 -4.210 305 HB2 MET 46 1HB MET 46 9.552 -0.480 -1.985 306 HB3 MET 46 2HB MET 46 10.065 -1.867 -2.936 307 HG2 MET 46 1HG MET 46 10.363 -0.634 -4.839 308 HG3 MET 46 2HG MET 46 9.195 0.594 -4.356 309 HE1 MET 46 1HE MET 46 12.133 -1.166 -2.827 310 HE2 MET 46 2HE MET 46 13.315 0.086 -2.446 311 HE3 MET 46 3HE MET 46 11.908 -0.144 -1.406 312 H LEU 47 H LEU 47 7.258 -3.398 -4.476 313 HA LEU 47 HA LEU 47 7.546 -5.243 -2.210 314 HB2 LEU 47 1HB LEU 47 5.154 -4.496 -2.594 315 HB3 LEU 47 2HB LEU 47 5.232 -5.360 -4.128 316 HG LEU 47 HG LEU 47 5.685 -7.452 -2.867 317 HD11 LEU 47 1HD1 LEU 47 4.850 -7.136 -0.364 318 HD12 LEU 47 2HD1 LEU 47 5.579 -5.548 -0.600 319 HD13 LEU 47 3HD1 LEU 47 6.549 -7.004 -0.817 320 HD21 LEU 47 1HD2 LEU 47 3.310 -7.390 -1.717 321 HD22 LEU 47 2HD2 LEU 47 3.485 -7.378 -3.472 322 HD23 LEU 47 3HD2 LEU 47 3.180 -5.872 -2.605 323 H HIS 48 H HIS 48 8.725 -6.965 -2.712 324 HA HIS 48 HA HIS 48 9.992 -8.420 -3.930 325 HB2 HIS 48 1HB HIS 48 7.320 -8.441 -5.286 326 HB3 HIS 48 2HB HIS 48 8.646 -9.377 -5.970 327 HD1 HIS 48 1HD HIS 48 8.860 -11.678 -5.093 328 HD2 HIS 48 2HD HIS 48 6.864 -9.188 -2.432 329 HE1 HIS 48 1HE HIS 48 8.139 -13.162 -3.195 330 HE2 HIS 48 2HE HIS 48 6.860 -11.650 -1.639 331 H GLY 49 H GLY 49 10.634 -5.784 -4.472 332 HA2 GLY 49 1HA GLY 49 11.861 -4.549 -5.969 333 HA3 GLY 49 2HA GLY 49 12.038 -6.025 -6.905 334 H HIS 50 H HIS 50 8.850 -4.897 -6.217 335 HA HIS 50 HA HIS 50 8.623 -3.907 -8.984 336 HB2 HIS 50 1HB HIS 50 6.609 -5.473 -7.361 337 HB3 HIS 50 2HB HIS 50 6.263 -4.732 -8.921 338 HD1 HIS 50 1HD HIS 50 7.605 -5.733 -10.996 339 HD2 HIS 50 2HD HIS 50 7.811 -7.934 -7.478 340 HE1 HIS 50 1HE HIS 50 8.438 -8.007 -11.673 341 HE2 HIS 50 2HE HIS 50 8.473 -9.347 -9.541 342 H SER 51 H SER 51 7.886 -1.899 -9.229 343 HA SER 51 HA SER 51 6.765 -0.547 -6.870 344 HB2 SER 51 1HB SER 51 7.465 1.561 -8.013 345 HB3 SER 51 2HB SER 51 8.814 0.485 -7.648 346 HG SER 51 HG SER 51 7.504 0.716 -10.157 347 H GLY 52 H GLY 52 4.612 -0.510 -6.927 348 HA2 GLY 52 1HA GLY 52 3.306 0.577 -9.302 349 HA3 GLY 52 2HA GLY 52 2.806 -1.029 -8.792 350 H PHE 53 H PHE 53 0.762 0.461 -8.802 351 HA PHE 53 HA PHE 53 0.469 1.696 -6.148 352 HB2 PHE 53 1HB PHE 53 -1.585 2.060 -8.282 353 HB3 PHE 53 2HB PHE 53 -1.069 3.175 -7.021 354 HD1 PHE 53 2HD PHE 53 1.726 3.508 -7.353 355 HD2 PHE 53 1HD PHE 53 -1.252 2.985 -10.349 356 HE1 PHE 53 2HE PHE 53 3.157 4.679 -8.975 357 HE2 PHE 53 1HE PHE 53 0.175 4.154 -11.976 358 HZ PHE 53 HZ PHE 53 2.382 5.004 -11.290 359 H PHE 54 H PHE 54 -1.046 0.982 -4.733 360 HA PHE 54 HA PHE 54 -2.800 -1.213 -5.611 361 HB2 PHE 54 1HB PHE 54 -2.452 -2.202 -3.306 362 HB3 PHE 54 2HB PHE 54 -1.064 -2.288 -4.386 363 HD1 PHE 54 1HD PHE 54 0.708 -0.439 -4.151 364 HD2 PHE 54 2HD PHE 54 -2.231 -1.289 -1.191 365 HE1 PHE 54 1HE PHE 54 2.096 0.681 -2.456 366 HE2 PHE 54 2HE PHE 54 -0.848 -0.169 0.508 367 HZ PHE 54 HZ PHE 54 1.318 0.818 -0.124 368 HA PRO 55 HA PRO 55 -6.094 1.041 -3.775 369 HB2 PRO 55 1HB PRO 55 -7.771 -0.992 -3.126 370 HB3 PRO 55 2HB PRO 55 -7.506 -0.460 -4.790 371 HG2 PRO 55 1HG PRO 55 -6.303 -2.780 -3.330 372 HG3 PRO 55 2HG PRO 55 -6.931 -2.704 -4.987 373 HD2 PRO 55 1HD PRO 55 -4.286 -2.579 -4.425 374 HD3 PRO 55 2HD PRO 55 -5.010 -1.729 -5.805 375 H ILE 56 H ILE 56 -6.877 1.697 -1.797 376 HA ILE 56 HA ILE 56 -5.497 0.609 0.529 377 HB ILE 56 HB ILE 56 -7.273 3.045 0.359 378 HG12 ILE 56 1HG1 ILE 56 -4.259 3.015 0.443 379 HG13 ILE 56 2HG1 ILE 56 -5.152 3.040 -1.074 380 HG21 ILE 56 1HG2 ILE 56 -5.373 3.258 2.420 381 HG22 ILE 56 2HG2 ILE 56 -7.119 3.074 2.571 382 HG23 ILE 56 3HG2 ILE 56 -6.081 1.649 2.553 383 HD11 ILE 56 1HD1 ILE 56 -4.773 5.162 0.944 384 HD12 ILE 56 2HD1 ILE 56 -4.847 5.262 -0.816 385 HD13 ILE 56 3HD1 ILE 56 -6.332 5.099 0.122 386 H ASN 57 H ASN 57 -8.441 0.225 -1.019 387 HA ASN 57 HA ASN 57 -10.119 -0.097 1.281 388 HB2 ASN 57 1HB ASN 57 -10.742 0.391 -1.233 389 HB3 ASN 57 2HB ASN 57 -10.757 -1.366 -1.353 390 HD21 ASN 57 1HD2 ASN 57 -12.664 -2.239 -1.069 391 HD22 ASN 57 2HD2 ASN 57 -13.942 -1.613 -0.089 392 H TYR 58 H TYR 58 -7.589 -1.873 0.200 393 HA TYR 58 HA TYR 58 -8.745 -4.400 1.181 394 HB2 TYR 58 1HB TYR 58 -6.828 -3.813 -1.025 395 HB3 TYR 58 2HB TYR 58 -6.618 -5.311 -0.127 396 HD1 TYR 58 2HD TYR 58 -9.192 -6.368 0.347 397 HD2 TYR 58 1HD TYR 58 -7.853 -4.187 -3.052 398 HE1 TYR 58 2HE TYR 58 -10.937 -7.435 -1.018 399 HE2 TYR 58 1HE TYR 58 -9.595 -5.248 -4.426 400 HH TYR 58 HH TYR 58 -11.091 -6.970 -4.496 401 H VAL 59 H VAL 59 -6.201 -2.068 1.473 402 HA VAL 59 HA VAL 59 -4.967 -3.685 3.608 403 HB VAL 59 HB VAL 59 -2.910 -2.381 3.258 404 HG11 VAL 59 1HG1 VAL 59 -4.111 -4.095 1.174 405 HG12 VAL 59 2HG1 VAL 59 -2.651 -3.211 0.722 406 HG13 VAL 59 3HG1 VAL 59 -2.628 -4.307 2.104 407 HG21 VAL 59 1HG2 VAL 59 -4.507 -1.117 1.041 408 HG22 VAL 59 2HG2 VAL 59 -3.730 -0.319 2.409 409 HG23 VAL 59 3HG2 VAL 59 -2.747 -1.038 1.133 410 H GLU 60 H GLU 60 -4.262 -2.588 5.508 411 HA GLU 60 HA GLU 60 -5.804 -0.140 6.044 412 HB2 GLU 60 1HB GLU 60 -6.235 -2.280 7.385 413 HB3 GLU 60 2HB GLU 60 -4.670 -1.992 8.131 414 HG2 GLU 60 1HG GLU 60 -5.396 0.011 9.127 415 HG3 GLU 60 2HG GLU 60 -6.847 0.071 8.129 416 H ILE 61 H ILE 61 -4.829 1.651 6.888 417 HA ILE 61 HA ILE 61 -1.912 1.696 6.756 418 HB ILE 61 HB ILE 61 -3.930 3.933 6.941 419 HG12 ILE 61 1HG1 ILE 61 -3.975 3.062 4.749 420 HG13 ILE 61 2HG1 ILE 61 -2.895 4.448 4.652 421 HG21 ILE 61 1HG2 ILE 61 -1.200 3.939 7.693 422 HG22 ILE 61 2HG2 ILE 61 -1.345 4.850 6.191 423 HG23 ILE 61 3HG2 ILE 61 -2.312 5.304 7.594 424 HD11 ILE 61 1HD1 ILE 61 -2.179 1.537 4.674 425 HD12 ILE 61 2HD1 ILE 61 -1.873 2.735 3.417 426 HD13 ILE 61 3HD1 ILE 61 -0.992 2.813 4.943 427 H LEU 62 H LEU 62 -1.013 1.033 8.618 428 HA LEU 62 HA LEU 62 -2.177 1.629 11.181 429 HB2 LEU 62 1HB LEU 62 0.546 0.489 10.584 430 HB3 LEU 62 2HB LEU 62 -0.329 0.408 12.112 431 HG LEU 62 HG LEU 62 -1.204 -0.950 9.563 432 HD11 LEU 62 1HD1 LEU 62 -0.507 -2.827 11.524 433 HD12 LEU 62 2HD1 LEU 62 0.822 -1.670 11.461 434 HD13 LEU 62 3HD1 LEU 62 0.313 -2.508 9.995 435 HD21 LEU 62 1HD2 LEU 62 -2.711 -0.270 11.735 436 HD22 LEU 62 2HD2 LEU 62 -2.176 -1.898 12.155 437 HD23 LEU 62 3HD2 LEU 62 -3.047 -1.617 10.647 438 H VAL 63 H VAL 63 0.607 2.736 9.309 439 HA VAL 63 HA VAL 63 0.978 4.903 11.275 440 HB VAL 63 HB VAL 63 3.024 3.606 9.471 441 HG11 VAL 63 1HG1 VAL 63 3.895 5.689 9.429 442 HG12 VAL 63 2HG1 VAL 63 3.005 6.208 10.863 443 HG13 VAL 63 3HG1 VAL 63 4.473 5.244 11.034 444 HG21 VAL 63 1HG2 VAL 63 3.407 2.279 11.209 445 HG22 VAL 63 2HG2 VAL 63 3.845 3.694 12.166 446 HG23 VAL 63 3HG2 VAL 63 2.179 3.115 12.159 447 H ALA 64 H ALA 64 0.066 6.697 10.514 448 HA ALA 64 HA ALA 64 -0.471 7.221 7.798 449 HB1 ALA 64 1HB ALA 64 -0.771 9.628 8.704 450 HB2 ALA 64 2HB ALA 64 -1.857 8.356 9.266 451 HB3 ALA 64 3HB ALA 64 -0.517 8.886 10.283 452 H LEU 65 H LEU 65 0.740 8.055 6.221 453 HA LEU 65 HA LEU 65 3.467 8.312 6.310 454 HB2 LEU 65 1HB LEU 65 1.461 9.685 4.540 455 HB3 LEU 65 2HB LEU 65 3.200 9.800 4.283 456 HG LEU 65 HG LEU 65 1.864 7.123 4.390 457 HD11 LEU 65 1HD1 LEU 65 0.996 7.247 2.318 458 HD12 LEU 65 2HD1 LEU 65 2.263 8.325 1.734 459 HD13 LEU 65 3HD1 LEU 65 0.918 8.973 2.673 460 HD21 LEU 65 1HD2 LEU 65 3.875 6.386 3.799 461 HD22 LEU 65 2HD2 LEU 65 4.487 8.019 4.065 462 HD23 LEU 65 3HD2 LEU 65 3.961 7.524 2.455 463 HA PRO 66 HA PRO 66 4.472 12.067 8.352 464 HB2 PRO 66 1HB PRO 66 6.691 12.827 6.984 465 HB3 PRO 66 2HB PRO 66 6.677 11.466 8.112 466 HG2 PRO 66 1HG PRO 66 6.484 11.453 5.125 467 HG3 PRO 66 2HG PRO 66 7.425 10.392 6.190 468 HD2 PRO 66 1HD PRO 66 5.062 9.640 5.102 469 HD3 PRO 66 2HD PRO 66 5.603 9.075 6.696 470 H HIS 67 H HIS 67 3.472 12.005 5.122 471 HA HIS 67 HA HIS 67 3.897 14.544 4.150 472 HB2 HIS 67 1HB HIS 67 2.714 12.576 3.025 473 HB3 HIS 67 2HB HIS 67 1.255 13.125 3.844 474 HD1 HIS 67 1HD HIS 67 0.112 15.228 2.942 475 HD2 HIS 67 2HD HIS 67 3.626 14.259 0.948 476 HE1 HIS 67 1HE HIS 67 0.142 16.680 0.889 477 HE2 HIS 67 2HE HIS 67 2.235 16.015 -0.345 478 H SER 68 H SER 68 3.285 16.529 4.713 479 HA SER 68 HA SER 68 1.462 16.844 6.962 480 HB2 SER 68 1HB SER 68 3.510 18.569 5.633 481 HB3 SER 68 2HB SER 68 2.216 19.348 6.544 482 HG SER 68 HG SER 68 4.333 17.788 7.433 483 H GLY 69 H GLY 69 -0.012 15.975 4.928 484 HA2 GLY 69 1HA GLY 69 -1.043 18.129 3.311 485 HA3 GLY 69 2HA GLY 69 -1.666 16.487 3.388 486 HA PRO 70 HA PRO 70 -4.404 19.589 5.710 487 HB2 PRO 70 1HB PRO 70 -6.492 19.601 3.974 488 HB3 PRO 70 2HB PRO 70 -5.145 20.740 3.865 489 HG2 PRO 70 1HG PRO 70 -5.624 18.220 2.322 490 HG3 PRO 70 2HG PRO 70 -5.050 19.794 1.743 491 HD2 PRO 70 1HD PRO 70 -3.379 17.716 2.212 492 HD3 PRO 70 2HD PRO 70 -2.890 19.406 2.447 493 H SER 71 H SER 71 -6.168 18.980 6.956 494 HA SER 71 HA SER 71 -6.777 16.122 6.904 495 HB2 SER 71 1HB SER 71 -7.014 18.278 8.980 496 HB3 SER 71 2HB SER 71 -7.940 16.787 9.147 497 HG SER 71 HG SER 71 -5.328 17.229 9.632 498 H SER 72 H SER 72 -8.484 15.523 5.756 499 HA SER 72 HA SER 72 -10.789 17.340 5.574 500 HB2 SER 72 1HB SER 72 -9.505 16.327 3.503 501 HB3 SER 72 2HB SER 72 -10.510 14.917 3.838 502 HG SER 72 HG SER 72 -11.210 17.400 2.848 503 H GLY 73 H GLY 73 -12.300 16.905 7.043 504 HA2 GLY 73 1HA GLY 73 -14.018 15.695 8.024 505 HA3 GLY 73 2HA GLY 73 -13.468 14.270 7.155 Start of MODEL 5 1 H1 GLY 1 H GLY 1 8.391 -13.074 13.867 2 HA2 GLY 1 1HA GLY 1 6.156 -12.478 15.699 3 HA3 GLY 1 2HA GLY 1 7.788 -11.937 16.063 4 H SER 2 H SER 2 8.577 -11.164 13.475 5 HA SER 2 HA SER 2 6.636 -9.199 12.568 6 HB2 SER 2 1HB SER 2 8.051 -8.219 14.492 7 HB3 SER 2 2HB SER 2 9.381 -8.224 13.334 8 HG SER 2 HG SER 2 7.603 -6.367 13.604 9 H SER 3 H SER 3 7.510 -7.957 10.657 10 HA SER 3 HA SER 3 8.644 -9.831 8.804 11 HB2 SER 3 1HB SER 3 7.854 -6.927 8.488 12 HB3 SER 3 2HB SER 3 8.389 -7.961 7.164 13 HG SER 3 HG SER 3 6.160 -8.498 8.837 14 H GLY 4 H GLY 4 9.642 -6.588 9.916 15 HA2 GLY 4 1HA GLY 4 12.126 -6.749 10.664 16 HA3 GLY 4 2HA GLY 4 12.363 -7.175 8.975 17 H SER 5 H SER 5 10.890 -5.493 7.562 18 HA SER 5 HA SER 5 12.319 -3.168 7.396 19 HB2 SER 5 1HB SER 5 9.505 -3.836 6.572 20 HB3 SER 5 2HB SER 5 10.163 -2.223 6.296 21 HG SER 5 HG SER 5 11.903 -3.274 5.161 22 H SER 6 H SER 6 11.319 -0.887 7.644 23 HA SER 6 HA SER 6 9.740 -0.575 10.068 24 HB2 SER 6 1HB SER 6 12.256 -0.709 10.644 25 HB3 SER 6 2HB SER 6 12.369 0.883 9.894 26 HG SER 6 HG SER 6 10.387 0.434 11.821 27 H GLY 7 H GLY 7 8.766 1.463 10.272 28 HA2 GLY 7 1HA GLY 7 8.662 3.802 9.530 29 HA3 GLY 7 2HA GLY 7 9.090 3.228 7.925 30 HA PRO 8 HA PRO 8 4.512 3.763 7.989 31 HB2 PRO 8 1HB PRO 8 4.382 4.824 5.493 32 HB3 PRO 8 2HB PRO 8 4.703 5.796 6.935 33 HG2 PRO 8 1HG PRO 8 6.627 4.714 4.912 34 HG3 PRO 8 2HG PRO 8 6.581 6.318 5.667 35 HD2 PRO 8 1HD PRO 8 8.276 4.371 6.485 36 HD3 PRO 8 2HD PRO 8 7.599 5.577 7.598 37 H CYS 9 H CYS 9 3.709 1.750 7.766 38 HA CYS 9 HA CYS 9 3.812 0.540 5.100 39 HB2 CYS 9 1HB CYS 9 4.201 -1.685 6.061 40 HB3 CYS 9 2HB CYS 9 5.531 -0.593 6.427 41 HG CYS 9 HG CYS 9 3.176 -0.672 8.799 42 H CYS 10 H CYS 10 2.126 -1.091 4.760 43 HA CYS 10 HA CYS 10 -0.226 -0.598 6.466 44 HB2 CYS 10 1HB CYS 10 -1.638 -0.737 4.519 45 HB3 CYS 10 2HB CYS 10 -0.370 0.441 4.199 46 HG CYS 10 HG CYS 10 -0.824 -2.627 2.819 47 H ARG 11 H ARG 11 -1.859 -2.350 6.407 48 HA ARG 11 HA ARG 11 -0.536 -4.976 6.236 49 HB2 ARG 11 1HB ARG 11 -1.296 -4.112 8.514 50 HB3 ARG 11 2HB ARG 11 -2.941 -4.331 7.933 51 HG2 ARG 11 1HG ARG 11 -2.651 -6.323 8.977 52 HG3 ARG 11 2HG ARG 11 -2.037 -6.753 7.379 53 HD2 ARG 11 1HD ARG 11 -0.385 -7.564 8.783 54 HD3 ARG 11 2HD ARG 11 0.249 -5.985 8.321 55 HE ARG 11 HE ARG 11 0.162 -5.394 10.516 56 HH11 ARG 11 2HH1 ARG 11 -2.107 -7.980 9.987 57 HH12 ARG 11 1HH1 ARG 11 -2.550 -8.109 11.657 58 HH21 ARG 11 2HH2 ARG 11 -0.411 -5.555 12.718 59 HH22 ARG 11 1HH2 ARG 11 -1.585 -6.728 13.210 60 H ALA 12 H ALA 12 -1.382 -6.498 4.949 61 HA ALA 12 HA ALA 12 -3.650 -5.798 3.290 62 HB1 ALA 12 1HB ALA 12 -2.079 -6.784 1.961 63 HB2 ALA 12 2HB ALA 12 -1.536 -7.885 3.228 64 HB3 ALA 12 3HB ALA 12 -3.046 -8.200 2.373 65 H LEU 13 H LEU 13 -5.659 -6.618 3.412 66 HA LEU 13 HA LEU 13 -6.205 -8.514 5.588 67 HB2 LEU 13 1HB LEU 13 -8.037 -6.608 4.140 68 HB3 LEU 13 2HB LEU 13 -8.537 -7.715 5.417 69 HG LEU 13 HG LEU 13 -6.383 -5.746 6.012 70 HD11 LEU 13 1HD1 LEU 13 -7.630 -3.939 5.722 71 HD12 LEU 13 2HD1 LEU 13 -8.924 -4.637 6.694 72 HD13 LEU 13 3HD1 LEU 13 -8.866 -4.938 4.958 73 HD21 LEU 13 1HD2 LEU 13 -7.102 -7.496 7.620 74 HD22 LEU 13 2HD2 LEU 13 -8.709 -6.770 7.635 75 HD23 LEU 13 3HD2 LEU 13 -7.320 -5.852 8.220 76 H TYR 14 H TYR 14 -6.627 -7.962 2.156 77 HA TYR 14 HA TYR 14 -7.552 -10.741 1.887 78 HB2 TYR 14 1HB TYR 14 -8.623 -8.327 0.414 79 HB3 TYR 14 2HB TYR 14 -8.985 -9.993 -0.022 80 HD1 TYR 14 1HD TYR 14 -9.426 -7.420 2.592 81 HD2 TYR 14 2HD TYR 14 -10.614 -11.251 1.172 82 HE1 TYR 14 1HE TYR 14 -11.303 -7.421 4.181 83 HE2 TYR 14 2HE TYR 14 -12.495 -11.262 2.757 84 HH TYR 14 HH TYR 14 -13.822 -9.774 4.050 85 H ASP 15 H ASP 15 -7.435 -11.342 -0.582 86 HA ASP 15 HA ASP 15 -4.712 -10.665 -1.435 87 HB2 ASP 15 1HB ASP 15 -5.539 -13.089 -1.046 88 HB3 ASP 15 2HB ASP 15 -6.369 -12.893 -2.587 89 H PHE 16 H PHE 16 -4.371 -9.431 -3.158 90 HA PHE 16 HA PHE 16 -6.578 -9.068 -5.076 91 HB2 PHE 16 1HB PHE 16 -6.307 -7.034 -3.797 92 HB3 PHE 16 2HB PHE 16 -4.571 -7.033 -4.090 93 HD1 PHE 16 2HD PHE 16 -7.871 -6.623 -5.692 94 HD2 PHE 16 1HD PHE 16 -3.663 -6.097 -6.052 95 HE1 PHE 16 2HE PHE 16 -8.218 -5.254 -7.707 96 HE2 PHE 16 1HE PHE 16 -4.003 -4.726 -8.067 97 HZ PHE 16 HZ PHE 16 -6.283 -4.305 -8.898 98 H GLU 17 H GLU 17 -5.945 -8.561 -7.272 99 HA GLU 17 HA GLU 17 -3.205 -9.362 -7.963 100 HB2 GLU 17 1HB GLU 17 -5.771 -10.568 -8.917 101 HB3 GLU 17 2HB GLU 17 -4.399 -10.499 -10.013 102 HG2 GLU 17 1HG GLU 17 -4.044 -12.542 -9.101 103 HG3 GLU 17 2HG GLU 17 -3.143 -11.557 -7.950 104 HA PRO 18 HA PRO 18 -3.302 -5.808 -10.554 105 HB2 PRO 18 1HB PRO 18 -1.324 -6.480 -12.288 106 HB3 PRO 18 2HB PRO 18 -1.012 -5.980 -10.621 107 HG2 PRO 18 1HG PRO 18 -1.122 -8.737 -11.783 108 HG3 PRO 18 2HG PRO 18 0.035 -8.056 -10.625 109 HD2 PRO 18 1HD PRO 18 -2.025 -9.641 -9.865 110 HD3 PRO 18 2HD PRO 18 -1.395 -8.336 -8.839 111 H GLU 19 H GLU 19 -5.064 -5.589 -11.815 112 HA GLU 19 HA GLU 19 -5.721 -7.533 -13.847 113 HB2 GLU 19 1HB GLU 19 -7.726 -6.282 -14.181 114 HB3 GLU 19 2HB GLU 19 -7.435 -6.344 -12.448 115 HG2 GLU 19 1HG GLU 19 -6.394 -4.012 -13.961 116 HG3 GLU 19 2HG GLU 19 -8.129 -4.114 -13.664 117 H ASN 20 H ASN 20 -4.030 -4.541 -13.650 118 HA ASN 20 HA ASN 20 -3.582 -4.624 -16.542 119 HB2 ASN 20 1HB ASN 20 -4.182 -2.428 -16.948 120 HB3 ASN 20 2HB ASN 20 -5.381 -2.881 -15.740 121 HD21 ASN 20 1HD2 ASN 20 -5.087 -2.175 -13.581 122 HD22 ASN 20 2HD2 ASN 20 -4.134 -0.777 -13.232 123 H GLU 21 H GLU 21 -1.572 -3.882 -17.204 124 HA GLU 21 HA GLU 21 0.613 -4.284 -15.639 125 HB2 GLU 21 1HB GLU 21 1.922 -3.158 -17.275 126 HB3 GLU 21 2HB GLU 21 0.571 -3.889 -18.129 127 HG2 GLU 21 1HG GLU 21 -0.565 -1.755 -18.226 128 HG3 GLU 21 2HG GLU 21 0.727 -1.003 -17.291 129 H GLY 22 H GLY 22 2.153 -2.893 -14.602 130 HA2 GLY 22 1HA GLY 22 2.834 -0.939 -13.504 131 HA3 GLY 22 2HA GLY 22 1.290 -0.201 -13.906 132 H GLU 23 H GLU 23 -0.351 -2.316 -12.878 133 HA GLU 23 HA GLU 23 -0.616 -1.469 -10.215 134 HB2 GLU 23 1HB GLU 23 -1.753 -3.803 -11.739 135 HB3 GLU 23 2HB GLU 23 -2.127 -3.540 -10.041 136 HG2 GLU 23 1HG GLU 23 -2.539 -1.356 -12.038 137 HG3 GLU 23 2HG GLU 23 -3.733 -2.639 -11.846 138 H LEU 24 H LEU 24 -0.687 -3.070 -8.337 139 HA LEU 24 HA LEU 24 1.576 -4.941 -8.451 140 HB2 LEU 24 1HB LEU 24 2.405 -2.905 -7.449 141 HB3 LEU 24 2HB LEU 24 1.055 -2.877 -6.317 142 HG LEU 24 HG LEU 24 2.010 -5.134 -5.486 143 HD11 LEU 24 1HD1 LEU 24 4.610 -4.042 -6.457 144 HD12 LEU 24 2HD1 LEU 24 3.650 -5.076 -7.514 145 HD13 LEU 24 3HD1 LEU 24 4.194 -5.679 -5.948 146 HD21 LEU 24 1HD2 LEU 24 2.062 -2.762 -4.430 147 HD22 LEU 24 2HD2 LEU 24 3.769 -2.794 -4.876 148 HD23 LEU 24 3HD2 LEU 24 3.117 -4.021 -3.789 149 H GLY 25 H GLY 25 0.999 -6.899 -7.791 150 HA2 GLY 25 1HA GLY 25 -1.534 -7.271 -6.423 151 HA3 GLY 25 2HA GLY 25 -0.496 -8.536 -7.063 152 H PHE 26 H PHE 26 -1.788 -7.521 -4.312 153 HA PHE 26 HA PHE 26 0.591 -8.132 -2.689 154 HB2 PHE 26 1HB PHE 26 -0.665 -7.049 -0.816 155 HB3 PHE 26 2HB PHE 26 -0.293 -5.957 -2.146 156 HD1 PHE 26 1HD PHE 26 -3.023 -8.314 -1.174 157 HD2 PHE 26 2HD PHE 26 -1.954 -4.510 -2.757 158 HE1 PHE 26 1HE PHE 26 -5.404 -7.719 -1.345 159 HE2 PHE 26 2HE PHE 26 -4.333 -3.909 -2.929 160 HZ PHE 26 HZ PHE 26 -6.062 -5.514 -2.222 161 H LYS 27 H LYS 27 -0.096 -9.133 -0.483 162 HA LYS 27 HA LYS 27 -2.148 -11.192 -0.932 163 HB2 LYS 27 1HB LYS 27 0.686 -11.556 0.011 164 HB3 LYS 27 2HB LYS 27 -0.566 -12.729 0.398 165 HG2 LYS 27 1HG LYS 27 -0.964 -12.611 -2.218 166 HG3 LYS 27 2HG LYS 27 0.731 -12.119 -2.195 167 HD2 LYS 27 1HD LYS 27 1.291 -14.142 -0.924 168 HD3 LYS 27 2HD LYS 27 -0.404 -14.633 -0.967 169 HE2 LYS 27 1HE LYS 27 0.485 -15.835 -2.725 170 HE3 LYS 27 2HE LYS 27 -0.130 -14.399 -3.542 171 HZ1 LYS 27 1HZ LYS 27 1.957 -13.614 -3.937 172 HZ2 LYS 27 2HZ LYS 27 2.282 -15.273 -3.979 173 HZ3 LYS 27 3HZ LYS 27 2.641 -14.376 -2.590 174 H GLU 28 H GLU 28 -3.195 -11.975 0.930 175 HA GLU 28 HA GLU 28 -3.724 -10.093 2.920 176 HB2 GLU 28 1HB GLU 28 -5.338 -11.798 2.451 177 HB3 GLU 28 2HB GLU 28 -4.192 -13.073 2.839 178 HG2 GLU 28 1HG GLU 28 -4.188 -12.335 5.180 179 HG3 GLU 28 2HG GLU 28 -5.379 -11.100 4.777 180 H GLY 29 H GLY 29 -2.463 -9.404 4.510 181 HA2 GLY 29 1HA GLY 29 -1.354 -9.832 6.592 182 HA3 GLY 29 2HA GLY 29 -0.804 -11.369 5.940 183 H ASP 30 H ASP 30 0.072 -10.288 3.409 184 HA ASP 30 HA ASP 30 2.728 -9.685 4.034 185 HB2 ASP 30 1HB ASP 30 1.067 -9.592 1.563 186 HB3 ASP 30 2HB ASP 30 2.614 -8.750 1.539 187 H ILE 31 H ILE 31 3.766 -7.861 4.536 188 HA ILE 31 HA ILE 31 2.229 -5.411 4.783 189 HB ILE 31 HB ILE 31 5.140 -5.712 5.471 190 HG12 ILE 31 1HG1 ILE 31 3.626 -7.552 6.456 191 HG13 ILE 31 2HG1 ILE 31 4.636 -6.638 7.570 192 HG21 ILE 31 1HG2 ILE 31 3.770 -4.165 7.352 193 HG22 ILE 31 2HG2 ILE 31 4.861 -3.598 6.089 194 HG23 ILE 31 3HG2 ILE 31 3.127 -3.681 5.782 195 HD11 ILE 31 1HD1 ILE 31 2.875 -5.839 8.668 196 HD12 ILE 31 2HD1 ILE 31 2.006 -5.459 7.181 197 HD13 ILE 31 3HD1 ILE 31 1.955 -7.094 7.839 198 H ILE 32 H ILE 32 2.142 -3.966 3.208 199 HA ILE 32 HA ILE 32 4.223 -3.951 1.151 200 HB ILE 32 HB ILE 32 1.602 -2.453 1.151 201 HG12 ILE 32 1HG1 ILE 32 1.193 -4.380 -0.653 202 HG13 ILE 32 2HG1 ILE 32 2.306 -5.248 0.399 203 HG21 ILE 32 1HG2 ILE 32 2.254 -2.815 -1.436 204 HG22 ILE 32 2HG2 ILE 32 2.706 -1.389 -0.503 205 HG23 ILE 32 3HG2 ILE 32 3.863 -2.703 -0.723 206 HD11 ILE 32 1HD1 ILE 32 -0.172 -3.889 1.410 207 HD12 ILE 32 2HD1 ILE 32 -0.136 -5.569 0.874 208 HD13 ILE 32 3HD1 ILE 32 0.848 -5.060 2.245 209 H THR 33 H THR 33 5.843 -2.569 1.366 210 HA THR 33 HA THR 33 5.967 -0.498 3.240 211 HB THR 33 HB THR 33 7.591 -0.658 0.697 212 HG1 THR 33 1HG THR 33 8.139 -2.532 1.565 213 HG21 THR 33 1HG2 THR 33 8.199 0.534 3.406 214 HG22 THR 33 2HG2 THR 33 7.830 1.438 1.937 215 HG23 THR 33 3HG2 THR 33 9.305 0.476 2.034 216 H LEU 34 H LEU 34 6.169 1.814 2.858 217 HA LEU 34 HA LEU 34 4.621 2.762 0.543 218 HB2 LEU 34 1HB LEU 34 4.389 3.784 3.370 219 HB3 LEU 34 2HB LEU 34 3.529 4.412 1.966 220 HG LEU 34 HG LEU 34 3.170 1.557 2.783 221 HD11 LEU 34 1HD1 LEU 34 2.599 3.765 4.463 222 HD12 LEU 34 2HD1 LEU 34 2.178 2.069 4.695 223 HD13 LEU 34 3HD1 LEU 34 1.069 3.144 3.844 224 HD21 LEU 34 1HD2 LEU 34 2.085 1.904 0.793 225 HD22 LEU 34 2HD2 LEU 34 1.726 3.592 1.154 226 HD23 LEU 34 3HD2 LEU 34 0.803 2.307 1.935 227 H THR 35 H THR 35 5.407 4.523 -0.476 228 HA THR 35 HA THR 35 7.641 5.964 0.791 229 HB THR 35 HB THR 35 8.750 4.620 -0.790 230 HG1 THR 35 1HG THR 35 9.464 6.164 -2.311 231 HG21 THR 35 1HG2 THR 35 7.532 5.179 -3.281 232 HG22 THR 35 2HG2 THR 35 6.249 4.700 -2.170 233 HG23 THR 35 3HG2 THR 35 7.627 3.633 -2.440 234 H ASN 36 H ASN 36 5.027 6.027 -1.579 235 HA ASN 36 HA ASN 36 4.482 8.783 -0.990 236 HB2 ASN 36 1HB ASN 36 5.759 7.994 -3.589 237 HB3 ASN 36 2HB ASN 36 4.630 9.345 -3.536 238 HD21 ASN 36 1HD2 ASN 36 5.140 10.704 -1.376 239 HD22 ASN 36 2HD2 ASN 36 6.782 11.234 -1.300 240 H GLN 37 H GLN 37 2.651 9.592 -2.468 241 HA GLN 37 HA GLN 37 0.890 7.354 -3.209 242 HB2 GLN 37 1HB GLN 37 0.107 8.127 -1.076 243 HB3 GLN 37 2HB GLN 37 0.184 9.805 -1.594 244 HG2 GLN 37 1HG GLN 37 -1.523 8.986 -3.411 245 HG3 GLN 37 2HG GLN 37 -1.825 7.710 -2.232 246 HE21 GLN 37 1HE2 GLN 37 -3.796 8.272 -1.519 247 HE22 GLN 37 2HE2 GLN 37 -4.170 9.770 -0.743 248 H ILE 38 H ILE 38 -0.279 7.601 -5.050 249 HA ILE 38 HA ILE 38 0.234 10.046 -6.596 250 HB ILE 38 HB ILE 38 -0.562 7.279 -7.498 251 HG12 ILE 38 1HG1 ILE 38 1.684 7.824 -8.840 252 HG13 ILE 38 2HG1 ILE 38 1.964 8.853 -7.440 253 HG21 ILE 38 1HG2 ILE 38 -0.379 9.863 -9.013 254 HG22 ILE 38 2HG2 ILE 38 -0.195 8.301 -9.810 255 HG23 ILE 38 3HG2 ILE 38 -1.699 8.695 -8.978 256 HD11 ILE 38 1HD1 ILE 38 1.112 6.377 -6.438 257 HD12 ILE 38 2HD1 ILE 38 2.291 6.031 -7.704 258 HD13 ILE 38 3HD1 ILE 38 2.725 7.086 -6.359 259 H ASP 39 H ASP 39 -2.351 7.760 -5.764 260 HA ASP 39 HA ASP 39 -4.328 9.754 -6.634 261 HB2 ASP 39 1HB ASP 39 -4.850 6.855 -5.970 262 HB3 ASP 39 2HB ASP 39 -5.915 7.972 -6.818 263 H GLU 40 H GLU 40 -6.512 9.179 -5.236 264 HA GLU 40 HA GLU 40 -5.771 9.984 -2.534 265 HB2 GLU 40 1HB GLU 40 -8.381 10.214 -2.408 266 HB3 GLU 40 2HB GLU 40 -7.423 11.412 -3.267 267 HG2 GLU 40 1HG GLU 40 -8.035 10.559 -5.364 268 HG3 GLU 40 2HG GLU 40 -8.653 9.063 -4.666 269 H ASN 41 H ASN 41 -6.610 7.176 -4.182 270 HA ASN 41 HA ASN 41 -7.283 5.844 -1.645 271 HB2 ASN 41 1HB ASN 41 -8.670 5.695 -4.284 272 HB3 ASN 41 2HB ASN 41 -8.576 4.229 -3.312 273 HD21 ASN 41 1HD2 ASN 41 -9.942 7.379 -3.620 274 HD22 ASN 41 2HD2 ASN 41 -11.057 7.257 -2.306 275 H TRP 42 H TRP 42 -5.066 6.151 -4.016 276 HA TRP 42 HA TRP 42 -4.206 3.341 -3.787 277 HB2 TRP 42 1HB TRP 42 -3.637 5.273 -6.046 278 HB3 TRP 42 2HB TRP 42 -3.072 3.607 -5.947 279 HD1 TRP 42 HD TRP 42 -6.363 5.595 -6.322 280 HE1 TRP 42 1HE TRP 42 -8.072 4.094 -7.525 281 HE3 TRP 42 3HE TRP 42 -3.639 1.274 -6.535 282 HZ2 TRP 42 2HZ TRP 42 -8.244 1.430 -8.442 283 HZ3 TRP 42 3HZ TRP 42 -4.649 -0.706 -7.591 284 HH2 TRP 42 HH TRP 42 -6.904 -0.627 -8.524 285 H TYR 43 H TYR 43 -2.146 2.922 -3.142 286 HA TYR 43 HA TYR 43 -0.495 5.257 -2.429 287 HB2 TYR 43 1HB TYR 43 -0.858 2.605 -1.042 288 HB3 TYR 43 2HB TYR 43 0.500 3.668 -0.692 289 HD1 TYR 43 2HD TYR 43 -0.769 6.319 -0.757 290 HD2 TYR 43 1HD TYR 43 -2.183 2.651 0.870 291 HE1 TYR 43 2HE TYR 43 -2.157 7.570 0.842 292 HE2 TYR 43 1HE TYR 43 -3.576 3.892 2.473 293 HH TYR 43 HH TYR 43 -3.388 6.375 3.537 294 H GLU 44 H GLU 44 1.825 4.958 -2.503 295 HA GLU 44 HA GLU 44 2.614 3.035 -4.589 296 HB2 GLU 44 1HB GLU 44 2.800 5.603 -4.947 297 HB3 GLU 44 2HB GLU 44 4.198 5.486 -3.888 298 HG2 GLU 44 1HG GLU 44 4.918 3.593 -5.538 299 HG3 GLU 44 2HG GLU 44 3.806 4.410 -6.635 300 H GLY 45 H GLY 45 4.045 1.500 -4.095 301 HA2 GLY 45 1HA GLY 45 5.973 1.923 -1.951 302 HA3 GLY 45 2HA GLY 45 4.807 0.633 -1.699 303 H MET 46 H MET 46 7.071 -0.431 -1.586 304 HA MET 46 HA MET 46 7.750 -1.399 -4.285 305 HB2 MET 46 1HB MET 46 9.467 -0.615 -1.988 306 HB3 MET 46 2HB MET 46 9.988 -1.994 -2.947 307 HG2 MET 46 1HG MET 46 10.111 -0.684 -4.921 308 HG3 MET 46 2HG MET 46 9.303 0.675 -4.142 309 HE1 MET 46 1HE MET 46 10.315 1.516 -1.750 310 HE2 MET 46 2HE MET 46 11.930 2.216 -1.862 311 HE3 MET 46 3HE MET 46 10.688 2.672 -3.029 312 H LEU 47 H LEU 47 7.236 -3.452 -4.616 313 HA LEU 47 HA LEU 47 7.511 -5.379 -2.433 314 HB2 LEU 47 1HB LEU 47 5.127 -4.503 -2.627 315 HB3 LEU 47 2HB LEU 47 5.060 -5.351 -4.170 316 HG LEU 47 HG LEU 47 5.610 -7.462 -2.890 317 HD11 LEU 47 1HD1 LEU 47 6.405 -6.981 -0.826 318 HD12 LEU 47 2HD1 LEU 47 4.694 -7.083 -0.413 319 HD13 LEU 47 3HD1 LEU 47 5.446 -5.509 -0.675 320 HD21 LEU 47 1HD2 LEU 47 3.050 -5.945 -2.458 321 HD22 LEU 47 2HD2 LEU 47 3.259 -7.622 -1.953 322 HD23 LEU 47 3HD2 LEU 47 3.398 -7.190 -3.658 323 H HIS 48 H HIS 48 8.621 -7.084 -3.105 324 HA HIS 48 HA HIS 48 9.595 -8.649 -4.440 325 HB2 HIS 48 1HB HIS 48 6.959 -8.186 -5.755 326 HB3 HIS 48 2HB HIS 48 8.170 -9.109 -6.640 327 HD1 HIS 48 1HD HIS 48 9.012 -11.343 -5.453 328 HD2 HIS 48 2HD HIS 48 5.644 -9.570 -3.787 329 HE1 HIS 48 1HE HIS 48 7.972 -13.111 -3.998 330 HE2 HIS 48 2HE HIS 48 5.889 -12.043 -3.068 331 H GLY 49 H GLY 49 10.423 -5.936 -4.711 332 HA2 GLY 49 1HA GLY 49 11.856 -4.719 -6.032 333 HA3 GLY 49 2HA GLY 49 11.982 -6.136 -7.064 334 H HIS 50 H HIS 50 8.817 -4.937 -6.537 335 HA HIS 50 HA HIS 50 8.877 -3.565 -9.143 336 HB2 HIS 50 1HB HIS 50 6.721 -5.388 -8.058 337 HB3 HIS 50 2HB HIS 50 6.571 -4.426 -9.526 338 HD1 HIS 50 1HD HIS 50 8.815 -4.972 -11.219 339 HD2 HIS 50 2HD HIS 50 7.387 -7.922 -8.666 340 HE1 HIS 50 1HE HIS 50 9.642 -7.146 -12.175 341 HE2 HIS 50 2HE HIS 50 8.694 -8.923 -10.661 342 H SER 51 H SER 51 8.110 -1.553 -9.144 343 HA SER 51 HA SER 51 6.770 -0.586 -6.722 344 HB2 SER 51 1HB SER 51 8.772 0.647 -7.314 345 HB3 SER 51 2HB SER 51 8.172 0.905 -8.952 346 HG SER 51 HG SER 51 6.682 2.312 -8.198 347 H GLY 52 H GLY 52 4.624 -0.588 -6.816 348 HA2 GLY 52 1HA GLY 52 3.328 0.594 -9.161 349 HA3 GLY 52 2HA GLY 52 2.849 -1.033 -8.701 350 H PHE 53 H PHE 53 0.837 0.613 -8.744 351 HA PHE 53 HA PHE 53 0.475 1.664 -6.024 352 HB2 PHE 53 1HB PHE 53 -1.511 2.184 -8.190 353 HB3 PHE 53 2HB PHE 53 -1.007 3.220 -6.858 354 HD1 PHE 53 2HD PHE 53 1.973 3.037 -7.312 355 HD2 PHE 53 1HD PHE 53 -1.277 3.684 -9.983 356 HE1 PHE 53 2HE PHE 53 3.471 4.262 -8.832 357 HE2 PHE 53 1HE PHE 53 0.216 4.909 -11.508 358 HZ PHE 53 HZ PHE 53 2.593 5.200 -10.933 359 H PHE 54 H PHE 54 -1.113 0.922 -4.701 360 HA PHE 54 HA PHE 54 -2.884 -1.182 -5.746 361 HB2 PHE 54 1HB PHE 54 -2.606 -2.263 -3.432 362 HB3 PHE 54 2HB PHE 54 -1.276 -2.435 -4.572 363 HD1 PHE 54 1HD PHE 54 0.619 -0.672 -4.386 364 HD2 PHE 54 2HD PHE 54 -2.190 -1.497 -1.297 365 HE1 PHE 54 1HE PHE 54 2.165 0.288 -2.729 366 HE2 PHE 54 2HE PHE 54 -0.650 -0.537 0.364 367 HZ PHE 54 HZ PHE 54 1.530 0.357 -0.351 368 HA PRO 55 HA PRO 55 -6.185 0.947 -3.790 369 HB2 PRO 55 1HB PRO 55 -7.817 -1.113 -3.109 370 HB3 PRO 55 2HB PRO 55 -7.595 -0.575 -4.778 371 HG2 PRO 55 1HG PRO 55 -6.326 -2.877 -3.346 372 HG3 PRO 55 2HG PRO 55 -6.989 -2.810 -4.989 373 HD2 PRO 55 1HD PRO 55 -4.335 -2.644 -4.482 374 HD3 PRO 55 2HD PRO 55 -5.100 -1.804 -5.846 375 H ILE 56 H ILE 56 -7.079 1.486 -1.784 376 HA ILE 56 HA ILE 56 -5.578 0.470 0.510 377 HB ILE 56 HB ILE 56 -7.392 2.874 0.271 378 HG12 ILE 56 1HG1 ILE 56 -4.403 2.835 0.671 379 HG13 ILE 56 2HG1 ILE 56 -5.135 2.880 -0.930 380 HG21 ILE 56 1HG2 ILE 56 -5.808 1.777 2.575 381 HG22 ILE 56 2HG2 ILE 56 -6.307 3.465 2.493 382 HG23 ILE 56 3HG2 ILE 56 -7.522 2.187 2.516 383 HD11 ILE 56 1HD1 ILE 56 -5.183 4.957 1.219 384 HD12 ILE 56 2HD1 ILE 56 -4.670 5.101 -0.462 385 HD13 ILE 56 3HD1 ILE 56 -6.383 4.948 -0.073 386 H ASN 57 H ASN 57 -8.680 0.284 -0.928 387 HA ASN 57 HA ASN 57 -10.250 -0.209 1.370 388 HB2 ASN 57 1HB ASN 57 -10.563 -0.667 -1.562 389 HB3 ASN 57 2HB ASN 57 -11.654 -1.516 -0.471 390 HD21 ASN 57 1HD2 ASN 57 -13.509 -0.460 -0.826 391 HD22 ASN 57 2HD2 ASN 57 -13.745 1.231 -0.561 392 H TYR 58 H TYR 58 -7.724 -1.951 0.153 393 HA TYR 58 HA TYR 58 -8.800 -4.501 1.163 394 HB2 TYR 58 1HB TYR 58 -6.872 -3.851 -1.025 395 HB3 TYR 58 2HB TYR 58 -6.680 -5.370 -0.158 396 HD1 TYR 58 2HD TYR 58 -9.268 -6.421 0.259 397 HD2 TYR 58 1HD TYR 58 -7.867 -4.178 -3.073 398 HE1 TYR 58 2HE TYR 58 -10.999 -7.449 -1.153 399 HE2 TYR 58 1HE TYR 58 -9.595 -5.199 -4.495 400 HH TYR 58 HH TYR 58 -11.118 -6.878 -4.624 401 H VAL 59 H VAL 59 -6.136 -2.227 1.300 402 HA VAL 59 HA VAL 59 -4.967 -3.770 3.522 403 HB VAL 59 HB VAL 59 -2.850 -2.823 3.061 404 HG11 VAL 59 1HG1 VAL 59 -4.351 -3.777 0.669 405 HG12 VAL 59 2HG1 VAL 59 -2.694 -3.204 0.471 406 HG13 VAL 59 3HG1 VAL 59 -3.038 -4.549 1.558 407 HG21 VAL 59 1HG2 VAL 59 -3.135 -0.576 2.659 408 HG22 VAL 59 2HG2 VAL 59 -2.728 -1.158 1.044 409 HG23 VAL 59 3HG2 VAL 59 -4.410 -0.840 1.468 410 H GLU 60 H GLU 60 -4.511 -2.765 5.456 411 HA GLU 60 HA GLU 60 -5.846 -0.186 5.859 412 HB2 GLU 60 1HB GLU 60 -6.262 -2.385 7.248 413 HB3 GLU 60 2HB GLU 60 -4.824 -1.863 8.113 414 HG2 GLU 60 1HG GLU 60 -7.225 -0.104 7.713 415 HG3 GLU 60 2HG GLU 60 -7.023 -1.166 9.105 416 H ILE 61 H ILE 61 -4.832 1.539 6.884 417 HA ILE 61 HA ILE 61 -1.911 1.492 6.709 418 HB ILE 61 HB ILE 61 -3.827 3.812 6.967 419 HG12 ILE 61 1HG1 ILE 61 -3.896 2.773 4.769 420 HG13 ILE 61 2HG1 ILE 61 -3.074 4.325 4.662 421 HG21 ILE 61 1HG2 ILE 61 -1.238 4.623 6.138 422 HG22 ILE 61 2HG2 ILE 61 -2.119 5.079 7.594 423 HG23 ILE 61 3HG2 ILE 61 -1.067 3.663 7.607 424 HD11 ILE 61 1HD1 ILE 61 -0.939 2.817 4.996 425 HD12 ILE 61 2HD1 ILE 61 -2.007 1.583 4.327 426 HD13 ILE 61 3HD1 ILE 61 -1.674 3.052 3.411 427 H LEU 62 H LEU 62 -0.987 0.826 8.547 428 HA LEU 62 HA LEU 62 -2.148 1.343 11.127 429 HB2 LEU 62 1HB LEU 62 0.626 0.317 10.604 430 HB3 LEU 62 2HB LEU 62 -0.388 0.050 12.021 431 HG LEU 62 HG LEU 62 -1.086 -1.047 9.308 432 HD11 LEU 62 1HD1 LEU 62 1.132 -1.874 9.960 433 HD12 LEU 62 2HD1 LEU 62 -0.087 -3.148 9.987 434 HD13 LEU 62 3HD1 LEU 62 0.464 -2.423 11.498 435 HD21 LEU 62 1HD2 LEU 62 -2.517 -2.520 10.535 436 HD22 LEU 62 2HD2 LEU 62 -2.849 -0.869 11.061 437 HD23 LEU 62 3HD2 LEU 62 -1.880 -1.940 12.074 438 H VAL 63 H VAL 63 0.620 2.536 9.281 439 HA VAL 63 HA VAL 63 0.962 4.657 11.301 440 HB VAL 63 HB VAL 63 2.997 3.312 9.537 441 HG11 VAL 63 1HG1 VAL 63 4.385 5.192 10.984 442 HG12 VAL 63 2HG1 VAL 63 3.976 5.304 9.271 443 HG13 VAL 63 3HG1 VAL 63 2.942 6.070 10.478 444 HG21 VAL 63 1HG2 VAL 63 3.189 3.880 12.476 445 HG22 VAL 63 2HG2 VAL 63 2.334 2.462 11.869 446 HG23 VAL 63 3HG2 VAL 63 4.050 2.673 11.522 447 H ALA 64 H ALA 64 0.229 6.555 10.632 448 HA ALA 64 HA ALA 64 -0.496 7.142 7.978 449 HB1 ALA 64 1HB ALA 64 -0.251 9.602 9.119 450 HB2 ALA 64 2HB ALA 64 -1.662 8.554 9.271 451 HB3 ALA 64 3HB ALA 64 -0.433 8.568 10.536 452 H LEU 65 H LEU 65 0.712 7.689 6.293 453 HA LEU 65 HA LEU 65 3.441 7.829 6.211 454 HB2 LEU 65 1HB LEU 65 1.297 8.945 4.467 455 HB3 LEU 65 2HB LEU 65 2.974 9.381 4.144 456 HG LEU 65 HG LEU 65 2.242 6.498 4.386 457 HD11 LEU 65 1HD1 LEU 65 1.466 6.328 2.193 458 HD12 LEU 65 2HD1 LEU 65 1.999 7.956 1.777 459 HD13 LEU 65 3HD1 LEU 65 0.611 7.728 2.841 460 HD21 LEU 65 1HD2 LEU 65 4.294 8.100 2.873 461 HD22 LEU 65 2HD2 LEU 65 4.025 6.376 2.614 462 HD23 LEU 65 3HD2 LEU 65 4.563 6.957 4.190 463 HA PRO 66 HA PRO 66 4.790 11.681 7.822 464 HB2 PRO 66 1HB PRO 66 6.799 12.343 6.121 465 HB3 PRO 66 2HB PRO 66 6.933 11.035 7.303 466 HG2 PRO 66 1HG PRO 66 6.320 10.889 4.376 467 HG3 PRO 66 2HG PRO 66 7.392 9.864 5.347 468 HD2 PRO 66 1HD PRO 66 4.893 9.099 4.640 469 HD3 PRO 66 2HD PRO 66 5.648 8.599 6.167 470 H HIS 67 H HIS 67 3.534 11.497 4.635 471 HA HIS 67 HA HIS 67 3.681 14.317 4.071 472 HB2 HIS 67 1HB HIS 67 3.639 12.442 2.341 473 HB3 HIS 67 2HB HIS 67 1.916 12.305 2.680 474 HD1 HIS 67 1HD HIS 67 4.368 15.011 1.605 475 HD2 HIS 67 2HD HIS 67 0.398 13.894 1.105 476 HE1 HIS 67 1HE HIS 67 3.413 16.646 -0.050 477 HE2 HIS 67 2HE HIS 67 0.988 16.003 -0.272 478 H SER 68 H SER 68 2.664 15.129 5.994 479 HA SER 68 HA SER 68 -0.040 14.484 6.632 480 HB2 SER 68 1HB SER 68 1.809 15.497 8.155 481 HB3 SER 68 2HB SER 68 1.299 17.041 7.472 482 HG SER 68 HG SER 68 -0.652 15.301 8.473 483 H GLY 69 H GLY 69 -1.873 15.271 5.813 484 HA2 GLY 69 1HA GLY 69 -2.429 17.844 5.010 485 HA3 GLY 69 2HA GLY 69 -1.805 17.046 3.574 486 HA PRO 70 HA PRO 70 -5.827 14.638 4.755 487 HB2 PRO 70 1HB PRO 70 -7.327 15.673 6.767 488 HB3 PRO 70 2HB PRO 70 -6.051 14.481 7.036 489 HG2 PRO 70 1HG PRO 70 -5.970 17.453 7.381 490 HG3 PRO 70 2HG PRO 70 -5.313 16.187 8.434 491 HD2 PRO 70 1HD PRO 70 -3.769 17.594 6.711 492 HD3 PRO 70 2HD PRO 70 -3.434 15.902 7.131 493 H SER 71 H SER 71 -7.457 14.988 3.379 494 HA SER 71 HA SER 71 -9.080 17.326 3.415 495 HB2 SER 71 1HB SER 71 -8.470 18.271 1.262 496 HB3 SER 71 2HB SER 71 -7.045 18.233 2.301 497 HG SER 71 HG SER 71 -7.526 16.042 0.634 498 H SER 72 H SER 72 -11.030 16.723 2.751 499 HA SER 72 HA SER 72 -11.336 14.858 0.543 500 HB2 SER 72 1HB SER 72 -12.916 13.433 1.901 501 HB3 SER 72 2HB SER 72 -11.218 13.292 2.357 502 HG SER 72 HG SER 72 -11.988 15.160 3.874 503 H GLY 73 H GLY 73 -13.230 15.118 -0.566 504 HA2 GLY 73 1HA GLY 73 -14.751 17.498 0.056 505 HA3 GLY 73 2HA GLY 73 -14.928 16.486 -1.370 Start of MODEL 6 1 H1 GLY 1 H GLY 1 10.512 -11.880 15.936 2 HA2 GLY 1 1HA GLY 1 8.019 -11.008 15.165 3 HA3 GLY 1 2HA GLY 1 8.945 -9.540 15.440 4 H SER 2 H SER 2 7.867 -10.297 12.946 5 HA SER 2 HA SER 2 9.587 -11.631 11.224 6 HB2 SER 2 1HB SER 2 7.279 -10.874 10.654 7 HB3 SER 2 2HB SER 2 7.887 -9.223 10.531 8 HG SER 2 HG SER 2 9.207 -9.882 8.827 9 H SER 3 H SER 3 9.436 -8.134 11.889 10 HA SER 3 HA SER 3 12.296 -7.917 11.495 11 HB2 SER 3 1HB SER 3 11.178 -7.684 9.204 12 HB3 SER 3 2HB SER 3 10.509 -6.168 9.805 13 HG SER 3 HG SER 3 13.274 -6.708 9.949 14 H GLY 4 H GLY 4 13.080 -5.690 11.976 15 HA2 GLY 4 1HA GLY 4 11.214 -4.214 13.719 16 HA3 GLY 4 2HA GLY 4 12.816 -4.650 14.294 17 H SER 5 H SER 5 11.148 -2.863 11.724 18 HA SER 5 HA SER 5 13.328 -0.892 11.813 19 HB2 SER 5 1HB SER 5 11.975 -1.911 9.303 20 HB3 SER 5 2HB SER 5 13.171 -0.616 9.369 21 HG SER 5 HG SER 5 13.571 -3.331 10.099 22 H SER 6 H SER 6 12.540 0.995 12.438 23 HA SER 6 HA SER 6 9.774 1.581 12.534 24 HB2 SER 6 1HB SER 6 11.636 2.539 14.008 25 HB3 SER 6 2HB SER 6 11.974 3.641 12.674 26 HG SER 6 HG SER 6 9.497 3.952 12.904 27 H GLY 7 H GLY 7 8.589 1.858 10.755 28 HA2 GLY 7 1HA GLY 7 9.096 4.055 9.006 29 HA3 GLY 7 2HA GLY 7 9.448 2.524 8.219 30 HA PRO 8 HA PRO 8 4.787 3.659 8.300 31 HB2 PRO 8 1HB PRO 8 4.552 4.866 5.880 32 HB3 PRO 8 2HB PRO 8 4.872 5.759 7.372 33 HG2 PRO 8 1HG PRO 8 6.784 4.882 5.242 34 HG3 PRO 8 2HG PRO 8 6.696 6.433 6.096 35 HD2 PRO 8 1HD PRO 8 8.485 4.509 6.751 36 HD3 PRO 8 2HD PRO 8 7.791 5.616 7.953 37 H CYS 9 H CYS 9 3.918 1.718 7.908 38 HA CYS 9 HA CYS 9 4.084 0.641 5.193 39 HB2 CYS 9 1HB CYS 9 4.473 -1.638 6.054 40 HB3 CYS 9 2HB CYS 9 5.806 -0.556 6.437 41 HG CYS 9 HG CYS 9 4.713 -0.122 9.102 42 H CYS 10 H CYS 10 2.421 -0.990 4.752 43 HA CYS 10 HA CYS 10 0.057 -0.636 6.475 44 HB2 CYS 10 1HB CYS 10 -1.351 -0.546 4.569 45 HB3 CYS 10 2HB CYS 10 -0.007 0.534 4.219 46 HG CYS 10 HG CYS 10 1.132 -2.082 2.967 47 H ARG 11 H ARG 11 -1.631 -2.399 6.016 48 HA ARG 11 HA ARG 11 -0.308 -4.990 5.580 49 HB2 ARG 11 1HB ARG 11 -0.725 -4.345 8.043 50 HB3 ARG 11 2HB ARG 11 -2.425 -4.613 7.682 51 HG2 ARG 11 1HG ARG 11 -2.008 -6.908 7.131 52 HG3 ARG 11 2HG ARG 11 -0.266 -6.670 7.280 53 HD2 ARG 11 1HD ARG 11 -2.174 -6.198 9.557 54 HD3 ARG 11 2HD ARG 11 -1.438 -7.769 9.244 55 HE ARG 11 HE ARG 11 -0.205 -5.539 10.488 56 HH11 ARG 11 2HH1 ARG 11 0.432 -8.203 8.340 57 HH12 ARG 11 1HH1 ARG 11 2.112 -8.304 8.752 58 HH21 ARG 11 2HH2 ARG 11 2.005 -5.662 11.040 59 HH22 ARG 11 1HH2 ARG 11 3.005 -6.859 10.289 60 H ALA 12 H ALA 12 -1.346 -6.293 4.211 61 HA ALA 12 HA ALA 12 -3.831 -5.422 3.037 62 HB1 ALA 12 1HB ALA 12 -3.530 -7.305 1.510 63 HB2 ALA 12 2HB ALA 12 -2.059 -6.339 1.633 64 HB3 ALA 12 3HB ALA 12 -2.174 -7.880 2.481 65 H LEU 13 H LEU 13 -5.806 -6.453 3.117 66 HA LEU 13 HA LEU 13 -6.170 -8.255 5.393 67 HB2 LEU 13 1HB LEU 13 -8.038 -6.532 3.796 68 HB3 LEU 13 2HB LEU 13 -8.635 -7.772 4.897 69 HG LEU 13 HG LEU 13 -6.868 -5.479 5.741 70 HD11 LEU 13 1HD1 LEU 13 -8.770 -4.330 5.194 71 HD12 LEU 13 2HD1 LEU 13 -9.156 -4.817 6.844 72 HD13 LEU 13 3HD1 LEU 13 -9.824 -5.714 5.481 73 HD21 LEU 13 1HD2 LEU 13 -8.346 -6.391 7.888 74 HD22 LEU 13 2HD2 LEU 13 -6.646 -6.735 7.569 75 HD23 LEU 13 3HD2 LEU 13 -7.890 -7.868 7.038 76 H TYR 14 H TYR 14 -6.401 -8.144 1.929 77 HA TYR 14 HA TYR 14 -6.953 -11.014 1.903 78 HB2 TYR 14 1HB TYR 14 -8.525 -8.978 0.312 79 HB3 TYR 14 2HB TYR 14 -8.602 -10.718 0.059 80 HD1 TYR 14 2HD TYR 14 -9.265 -12.142 2.143 81 HD2 TYR 14 1HD TYR 14 -10.017 -7.970 1.777 82 HE1 TYR 14 2HE TYR 14 -11.028 -12.316 3.848 83 HE2 TYR 14 1HE TYR 14 -11.782 -8.133 3.482 84 HH TYR 14 HH TYR 14 -13.337 -10.055 4.345 85 H ASP 15 H ASP 15 -6.990 -11.615 -0.661 86 HA ASP 15 HA ASP 15 -4.373 -10.707 -1.611 87 HB2 ASP 15 1HB ASP 15 -4.464 -13.070 -1.460 88 HB3 ASP 15 2HB ASP 15 -6.054 -13.135 -2.216 89 H PHE 16 H PHE 16 -4.038 -9.915 -3.678 90 HA PHE 16 HA PHE 16 -6.366 -9.483 -5.389 91 HB2 PHE 16 1HB PHE 16 -6.446 -7.431 -4.274 92 HB3 PHE 16 2HB PHE 16 -4.694 -7.327 -4.138 93 HD1 PHE 16 2HD PHE 16 -7.301 -7.499 -6.804 94 HD2 PHE 16 1HD PHE 16 -3.627 -5.807 -5.477 95 HE1 PHE 16 2HE PHE 16 -7.234 -6.078 -8.811 96 HE2 PHE 16 1HE PHE 16 -3.555 -4.383 -7.482 97 HZ PHE 16 HZ PHE 16 -5.359 -4.518 -9.153 98 H GLU 17 H GLU 17 -5.850 -10.132 -7.362 99 HA GLU 17 HA GLU 17 -3.043 -10.285 -8.141 100 HB2 GLU 17 1HB GLU 17 -5.498 -11.310 -9.577 101 HB3 GLU 17 2HB GLU 17 -3.827 -11.659 -9.999 102 HG2 GLU 17 1HG GLU 17 -3.529 -13.081 -8.218 103 HG3 GLU 17 2HG GLU 17 -4.823 -12.343 -7.275 104 HA PRO 18 HA PRO 18 -3.175 -6.699 -10.687 105 HB2 PRO 18 1HB PRO 18 -1.175 -7.318 -12.415 106 HB3 PRO 18 2HB PRO 18 -0.882 -6.836 -10.740 107 HG2 PRO 18 1HG PRO 18 -0.943 -9.578 -11.939 108 HG3 PRO 18 2HG PRO 18 0.196 -8.896 -10.763 109 HD2 PRO 18 1HD PRO 18 -1.845 -10.521 -10.040 110 HD3 PRO 18 2HD PRO 18 -1.243 -9.222 -8.992 111 H GLU 19 H GLU 19 -4.498 -6.142 -12.295 112 HA GLU 19 HA GLU 19 -5.155 -8.161 -14.332 113 HB2 GLU 19 1HB GLU 19 -7.237 -6.855 -14.678 114 HB3 GLU 19 2HB GLU 19 -7.085 -7.493 -13.046 115 HG2 GLU 19 1HG GLU 19 -6.628 -5.395 -12.139 116 HG3 GLU 19 2HG GLU 19 -6.230 -4.702 -13.710 117 H ASN 20 H ASN 20 -3.992 -4.923 -13.811 118 HA ASN 20 HA ASN 20 -3.462 -4.701 -16.693 119 HB2 ASN 20 1HB ASN 20 -4.613 -2.581 -14.878 120 HB3 ASN 20 2HB ASN 20 -3.866 -2.202 -16.427 121 HD21 ASN 20 1HD2 ASN 20 -6.698 -3.024 -14.863 122 HD22 ASN 20 2HD2 ASN 20 -7.656 -3.421 -16.245 123 H GLU 21 H GLU 21 -1.751 -3.060 -17.173 124 HA GLU 21 HA GLU 21 0.608 -3.631 -15.844 125 HB2 GLU 21 1HB GLU 21 1.587 -1.743 -17.056 126 HB3 GLU 21 2HB GLU 21 0.539 -2.692 -18.102 127 HG2 GLU 21 1HG GLU 21 -0.494 -0.258 -16.708 128 HG3 GLU 21 2HG GLU 21 0.422 -0.125 -18.208 129 H GLY 22 H GLY 22 1.949 -2.415 -14.438 130 HA2 GLY 22 1HA GLY 22 2.430 -0.858 -12.784 131 HA3 GLY 22 2HA GLY 22 0.899 -0.065 -13.126 132 H GLU 23 H GLU 23 -0.912 -2.075 -12.706 133 HA GLU 23 HA GLU 23 -1.485 -1.984 -10.056 134 HB2 GLU 23 1HB GLU 23 -2.035 -4.280 -11.943 135 HB3 GLU 23 2HB GLU 23 -2.811 -4.068 -10.379 136 HG2 GLU 23 1HG GLU 23 -2.946 -1.948 -12.489 137 HG3 GLU 23 2HG GLU 23 -4.069 -3.306 -12.468 138 H LEU 24 H LEU 24 -0.428 -2.591 -8.298 139 HA LEU 24 HA LEU 24 1.541 -4.750 -8.481 140 HB2 LEU 24 1HB LEU 24 2.387 -2.700 -7.575 141 HB3 LEU 24 2HB LEU 24 1.063 -2.612 -6.415 142 HG LEU 24 HG LEU 24 2.070 -4.851 -5.524 143 HD11 LEU 24 1HD1 LEU 24 4.736 -4.014 -6.012 144 HD12 LEU 24 2HD1 LEU 24 3.923 -4.189 -7.567 145 HD13 LEU 24 3HD1 LEU 24 3.965 -5.542 -6.437 146 HD21 LEU 24 1HD2 LEU 24 3.894 -3.221 -4.375 147 HD22 LEU 24 2HD2 LEU 24 2.190 -3.276 -3.921 148 HD23 LEU 24 3HD2 LEU 24 2.767 -2.035 -5.035 149 H GLY 25 H GLY 25 0.404 -6.631 -8.290 150 HA2 GLY 25 1HA GLY 25 -1.791 -7.066 -6.591 151 HA3 GLY 25 2HA GLY 25 -0.766 -8.321 -7.270 152 H PHE 26 H PHE 26 -2.012 -7.914 -4.561 153 HA PHE 26 HA PHE 26 0.456 -8.322 -3.012 154 HB2 PHE 26 1HB PHE 26 -0.705 -7.253 -1.066 155 HB3 PHE 26 2HB PHE 26 -0.350 -6.144 -2.387 156 HD1 PHE 26 1HD PHE 26 -3.107 -8.450 -1.372 157 HD2 PHE 26 2HD PHE 26 -1.992 -4.639 -2.903 158 HE1 PHE 26 1HE PHE 26 -5.477 -7.791 -1.446 159 HE2 PHE 26 2HE PHE 26 -4.359 -3.973 -2.979 160 HZ PHE 26 HZ PHE 26 -6.105 -5.549 -2.249 161 H LYS 27 H LYS 27 -0.042 -9.438 -0.871 162 HA LYS 27 HA LYS 27 -2.131 -11.475 -1.290 163 HB2 LYS 27 1HB LYS 27 0.418 -12.100 -1.455 164 HB3 LYS 27 2HB LYS 27 0.335 -12.058 0.302 165 HG2 LYS 27 1HG LYS 27 -1.100 -13.866 0.410 166 HG3 LYS 27 2HG LYS 27 -1.652 -13.657 -1.253 167 HD2 LYS 27 1HD LYS 27 0.191 -14.702 -2.139 168 HD3 LYS 27 2HD LYS 27 1.220 -14.284 -0.768 169 HE2 LYS 27 1HE LYS 27 -0.194 -15.885 0.598 170 HE3 LYS 27 2HE LYS 27 -0.882 -16.431 -0.931 171 HZ1 LYS 27 1HZ LYS 27 2.034 -16.417 -0.418 172 HZ2 LYS 27 2HZ LYS 27 1.196 -17.220 -1.648 173 HZ3 LYS 27 3HZ LYS 27 1.055 -17.746 -0.047 174 H GLU 28 H GLU 28 -2.652 -12.639 0.845 175 HA GLU 28 HA GLU 28 -3.681 -10.726 2.653 176 HB2 GLU 28 1HB GLU 28 -4.661 -12.990 2.197 177 HB3 GLU 28 2HB GLU 28 -3.347 -13.689 3.135 178 HG2 GLU 28 1HG GLU 28 -4.155 -12.884 5.129 179 HG3 GLU 28 2HG GLU 28 -5.052 -11.576 4.360 180 H GLY 29 H GLY 29 -2.902 -9.900 4.505 181 HA2 GLY 29 1HA GLY 29 -1.451 -9.437 6.223 182 HA3 GLY 29 2HA GLY 29 -1.018 -11.140 6.188 183 H ASP 30 H ASP 30 -0.622 -8.922 3.492 184 HA ASP 30 HA ASP 30 2.277 -9.366 3.655 185 HB2 ASP 30 1HB ASP 30 0.388 -8.848 1.392 186 HB3 ASP 30 2HB ASP 30 2.079 -8.387 1.220 187 H ILE 31 H ILE 31 3.503 -7.761 4.363 188 HA ILE 31 HA ILE 31 2.427 -5.120 4.737 189 HB ILE 31 HB ILE 31 5.243 -6.119 5.180 190 HG12 ILE 31 1HG1 ILE 31 3.515 -7.298 6.527 191 HG13 ILE 31 2HG1 ILE 31 4.626 -6.353 7.512 192 HG21 ILE 31 1HG2 ILE 31 5.175 -4.106 6.816 193 HG22 ILE 31 2HG2 ILE 31 5.459 -3.819 5.100 194 HG23 ILE 31 3HG2 ILE 31 3.859 -3.541 5.787 195 HD11 ILE 31 1HD1 ILE 31 2.880 -5.390 8.457 196 HD12 ILE 31 2HD1 ILE 31 2.481 -4.655 6.904 197 HD13 ILE 31 3HD1 ILE 31 1.780 -6.210 7.350 198 H ILE 32 H ILE 32 2.339 -3.666 3.168 199 HA ILE 32 HA ILE 32 4.338 -3.764 1.016 200 HB ILE 32 HB ILE 32 1.702 -2.290 1.052 201 HG12 ILE 32 1HG1 ILE 32 2.218 -4.686 -0.655 202 HG13 ILE 32 2HG1 ILE 32 1.829 -4.938 1.043 203 HG21 ILE 32 1HG2 ILE 32 2.404 -2.647 -1.558 204 HG22 ILE 32 2HG2 ILE 32 2.684 -1.177 -0.626 205 HG23 ILE 32 3HG2 ILE 32 3.970 -2.372 -0.795 206 HD11 ILE 32 1HD1 ILE 32 -0.010 -3.068 -0.092 207 HD12 ILE 32 2HD1 ILE 32 0.062 -4.522 -1.088 208 HD13 ILE 32 3HD1 ILE 32 -0.320 -4.647 0.629 209 H THR 33 H THR 33 5.991 -2.425 1.275 210 HA THR 33 HA THR 33 6.288 -0.399 3.089 211 HB THR 33 HB THR 33 7.522 -0.228 0.344 212 HG1 THR 33 1HG THR 33 9.196 -1.588 1.539 213 HG21 THR 33 1HG2 THR 33 8.044 1.633 1.778 214 HG22 THR 33 2HG2 THR 33 9.466 0.596 1.671 215 HG23 THR 33 3HG2 THR 33 8.447 0.549 3.109 216 H LEU 34 H LEU 34 6.363 1.935 2.844 217 HA LEU 34 HA LEU 34 4.363 2.940 0.927 218 HB2 LEU 34 1HB LEU 34 4.834 3.708 3.797 219 HB3 LEU 34 2HB LEU 34 3.890 4.696 2.684 220 HG LEU 34 HG LEU 34 3.175 1.833 3.243 221 HD11 LEU 34 1HD1 LEU 34 3.010 2.597 5.397 222 HD12 LEU 34 2HD1 LEU 34 1.420 3.033 4.774 223 HD13 LEU 34 3HD1 LEU 34 2.682 4.257 4.902 224 HD21 LEU 34 1HD2 LEU 34 1.004 3.638 2.777 225 HD22 LEU 34 2HD2 LEU 34 1.504 2.231 1.839 226 HD23 LEU 34 3HD2 LEU 34 2.205 3.814 1.498 227 H THR 35 H THR 35 4.972 4.577 -0.343 228 HA THR 35 HA THR 35 7.425 6.051 0.364 229 HB THR 35 HB THR 35 8.024 6.156 -2.005 230 HG1 THR 35 1HG THR 35 5.847 4.366 -2.437 231 HG21 THR 35 1HG2 THR 35 7.908 3.707 -0.450 232 HG22 THR 35 2HG2 THR 35 9.220 4.355 -1.435 233 HG23 THR 35 3HG2 THR 35 7.949 3.389 -2.184 234 H ASN 36 H ASN 36 4.596 6.148 -1.810 235 HA ASN 36 HA ASN 36 3.939 8.810 -0.929 236 HB2 ASN 36 1HB ASN 36 5.767 8.874 -2.845 237 HB3 ASN 36 2HB ASN 36 4.366 8.606 -3.879 238 HD21 ASN 36 1HD2 ASN 36 5.703 10.856 -4.272 239 HD22 ASN 36 2HD2 ASN 36 4.843 12.221 -3.653 240 H GLN 37 H GLN 37 2.034 9.663 -2.328 241 HA GLN 37 HA GLN 37 0.293 7.391 -3.026 242 HB2 GLN 37 1HB GLN 37 -0.402 8.328 -0.891 243 HB3 GLN 37 2HB GLN 37 -0.457 9.942 -1.588 244 HG2 GLN 37 1HG GLN 37 -2.342 9.426 -2.897 245 HG3 GLN 37 2HG GLN 37 -2.162 7.695 -2.610 246 HE21 GLN 37 1HE2 GLN 37 -4.350 9.712 -2.097 247 HE22 GLN 37 2HE2 GLN 37 -4.784 9.454 -0.445 248 H ILE 38 H ILE 38 -0.659 7.471 -4.963 249 HA ILE 38 HA ILE 38 -0.296 9.901 -6.563 250 HB ILE 38 HB ILE 38 -0.868 7.051 -7.365 251 HG12 ILE 38 1HG1 ILE 38 1.328 7.706 -8.721 252 HG13 ILE 38 2HG1 ILE 38 1.507 8.855 -7.399 253 HG21 ILE 38 1HG2 ILE 38 -0.813 9.549 -9.044 254 HG22 ILE 38 2HG2 ILE 38 -0.658 7.924 -9.711 255 HG23 ILE 38 3HG2 ILE 38 -2.132 8.392 -8.865 256 HD11 ILE 38 1HD1 ILE 38 2.261 6.171 -7.441 257 HD12 ILE 38 2HD1 ILE 38 2.268 7.270 -6.061 258 HD13 ILE 38 3HD1 ILE 38 0.859 6.256 -6.374 259 H ASP 39 H ASP 39 -2.763 7.504 -5.694 260 HA ASP 39 HA ASP 39 -4.831 9.326 -6.714 261 HB2 ASP 39 1HB ASP 39 -5.306 6.482 -5.853 262 HB3 ASP 39 2HB ASP 39 -6.270 7.476 -6.942 263 H GLU 40 H GLU 40 -7.012 8.722 -5.337 264 HA GLU 40 HA GLU 40 -6.382 9.703 -2.665 265 HB2 GLU 40 1HB GLU 40 -8.754 10.223 -2.494 266 HB3 GLU 40 2HB GLU 40 -8.096 10.871 -3.990 267 HG2 GLU 40 1HG GLU 40 -9.237 9.373 -5.305 268 HG3 GLU 40 2HG GLU 40 -9.393 8.190 -4.008 269 H ASN 41 H ASN 41 -7.116 6.783 -4.200 270 HA ASN 41 HA ASN 41 -7.736 5.546 -1.602 271 HB2 ASN 41 1HB ASN 41 -9.119 5.228 -4.228 272 HB3 ASN 41 2HB ASN 41 -8.979 3.815 -3.186 273 HD21 ASN 41 1HD2 ASN 41 -11.390 5.084 -3.941 274 HD22 ASN 41 2HD2 ASN 41 -12.135 5.696 -2.507 275 H TRP 42 H TRP 42 -5.382 5.892 -3.676 276 HA TRP 42 HA TRP 42 -4.528 3.075 -3.521 277 HB2 TRP 42 1HB TRP 42 -3.867 5.092 -5.678 278 HB3 TRP 42 2HB TRP 42 -3.204 3.464 -5.574 279 HD1 TRP 42 HD TRP 42 -6.772 5.016 -5.712 280 HE1 TRP 42 1HE TRP 42 -8.212 3.532 -7.245 281 HE3 TRP 42 3HE TRP 42 -3.308 1.438 -6.865 282 HZ2 TRP 42 2HZ TRP 42 -7.918 1.159 -8.744 283 HZ3 TRP 42 3HZ TRP 42 -3.967 -0.406 -8.355 284 HH2 TRP 42 HH TRP 42 -6.226 -0.541 -9.274 285 H TYR 43 H TYR 43 -2.109 2.836 -3.557 286 HA TYR 43 HA TYR 43 -0.734 5.099 -2.293 287 HB2 TYR 43 1HB TYR 43 -1.217 2.399 -1.142 288 HB3 TYR 43 2HB TYR 43 0.366 3.118 -0.872 289 HD1 TYR 43 2HD TYR 43 -0.251 5.947 -0.522 290 HD2 TYR 43 1HD TYR 43 -2.351 2.522 0.879 291 HE1 TYR 43 2HE TYR 43 -1.167 7.275 1.335 292 HE2 TYR 43 1HE TYR 43 -3.274 3.841 2.738 293 HH TYR 43 HH TYR 43 -3.489 6.950 2.858 294 H GLU 44 H GLU 44 1.690 4.559 -2.069 295 HA GLU 44 HA GLU 44 2.588 3.020 -4.413 296 HB2 GLU 44 1HB GLU 44 2.594 5.629 -4.580 297 HB3 GLU 44 2HB GLU 44 4.016 5.511 -3.554 298 HG2 GLU 44 1HG GLU 44 4.889 3.851 -5.309 299 HG3 GLU 44 2HG GLU 44 3.626 4.511 -6.346 300 H GLY 45 H GLY 45 4.227 1.643 -4.059 301 HA2 GLY 45 1HA GLY 45 6.204 2.036 -2.036 302 HA3 GLY 45 2HA GLY 45 5.010 0.847 -1.540 303 H MET 46 H MET 46 7.219 -0.334 -1.549 304 HA MET 46 HA MET 46 7.600 -1.554 -4.204 305 HB2 MET 46 1HB MET 46 9.527 -0.768 -2.079 306 HB3 MET 46 2HB MET 46 9.874 -2.240 -2.977 307 HG2 MET 46 1HG MET 46 10.069 -1.100 -5.003 308 HG3 MET 46 2HG MET 46 9.251 0.331 -4.378 309 HE1 MET 46 1HE MET 46 11.267 2.583 -3.272 310 HE2 MET 46 2HE MET 46 9.952 1.630 -2.587 311 HE3 MET 46 3HE MET 46 11.526 1.661 -1.791 312 H LEU 47 H LEU 47 6.869 -3.562 -4.349 313 HA LEU 47 HA LEU 47 6.899 -5.251 -1.935 314 HB2 LEU 47 1HB LEU 47 4.624 -4.513 -2.622 315 HB3 LEU 47 2HB LEU 47 4.867 -5.339 -4.160 316 HG LEU 47 HG LEU 47 5.127 -7.473 -2.852 317 HD11 LEU 47 1HD1 LEU 47 4.649 -7.604 -0.601 318 HD12 LEU 47 2HD1 LEU 47 3.781 -6.069 -0.586 319 HD13 LEU 47 3HD1 LEU 47 5.541 -6.086 -0.692 320 HD21 LEU 47 1HD2 LEU 47 2.505 -7.138 -2.098 321 HD22 LEU 47 2HD2 LEU 47 3.067 -7.615 -3.701 322 HD23 LEU 47 3HD2 LEU 47 2.715 -5.920 -3.356 323 H HIS 48 H HIS 48 8.564 -6.598 -2.239 324 HA HIS 48 HA HIS 48 9.859 -8.248 -3.121 325 HB2 HIS 48 1HB HIS 48 7.373 -8.636 -4.789 326 HB3 HIS 48 2HB HIS 48 8.775 -9.696 -4.905 327 HD1 HIS 48 1HD HIS 48 8.432 -11.756 -3.606 328 HD2 HIS 48 2HD HIS 48 6.611 -8.488 -1.799 329 HE1 HIS 48 1HE HIS 48 7.361 -12.654 -1.516 330 HE2 HIS 48 2HE HIS 48 6.193 -10.676 -0.483 331 H GLY 49 H GLY 49 10.147 -5.571 -4.104 332 HA2 GLY 49 1HA GLY 49 11.590 -4.608 -5.643 333 HA3 GLY 49 2HA GLY 49 11.688 -6.155 -6.471 334 H HIS 50 H HIS 50 8.535 -4.963 -5.835 335 HA HIS 50 HA HIS 50 8.279 -4.188 -8.666 336 HB2 HIS 50 1HB HIS 50 6.261 -5.436 -6.793 337 HB3 HIS 50 2HB HIS 50 5.854 -4.804 -8.386 338 HD1 HIS 50 1HD HIS 50 6.694 -6.147 -10.443 339 HD2 HIS 50 2HD HIS 50 7.574 -7.895 -6.778 340 HE1 HIS 50 1HE HIS 50 7.400 -8.502 -10.973 341 HE2 HIS 50 2HE HIS 50 7.845 -9.566 -8.734 342 H SER 51 H SER 51 7.841 -2.128 -9.058 343 HA SER 51 HA SER 51 6.841 -0.460 -6.856 344 HB2 SER 51 1HB SER 51 7.726 1.448 -8.154 345 HB3 SER 51 2HB SER 51 8.979 0.256 -7.809 346 HG SER 51 HG SER 51 7.565 -0.020 -10.194 347 H GLY 52 H GLY 52 4.656 -0.547 -6.942 348 HA2 GLY 52 1HA GLY 52 3.394 0.650 -9.284 349 HA3 GLY 52 2HA GLY 52 2.876 -0.975 -8.863 350 H PHE 53 H PHE 53 0.882 0.659 -8.866 351 HA PHE 53 HA PHE 53 0.545 1.739 -6.157 352 HB2 PHE 53 1HB PHE 53 -1.493 2.167 -8.294 353 HB3 PHE 53 2HB PHE 53 -0.986 3.244 -6.997 354 HD1 PHE 53 2HD PHE 53 1.745 3.714 -7.261 355 HD2 PHE 53 1HD PHE 53 -1.081 3.026 -10.368 356 HE1 PHE 53 2HE PHE 53 3.187 4.934 -8.837 357 HE2 PHE 53 1HE PHE 53 0.357 4.245 -11.950 358 HZ PHE 53 HZ PHE 53 2.493 5.202 -11.185 359 H PHE 54 H PHE 54 -1.094 1.076 -4.818 360 HA PHE 54 HA PHE 54 -2.816 -1.108 -5.765 361 HB2 PHE 54 1HB PHE 54 -2.478 -2.180 -3.483 362 HB3 PHE 54 2HB PHE 54 -1.114 -2.275 -4.593 363 HD1 PHE 54 1HD PHE 54 0.650 -0.358 -4.362 364 HD2 PHE 54 2HD PHE 54 -2.119 -1.467 -1.326 365 HE1 PHE 54 1HE PHE 54 2.105 0.669 -2.665 366 HE2 PHE 54 2HE PHE 54 -0.669 -0.441 0.376 367 HZ PHE 54 HZ PHE 54 1.445 0.630 -0.292 368 HA PRO 55 HA PRO 55 -6.104 1.023 -3.788 369 HB2 PRO 55 1HB PRO 55 -7.696 -1.042 -3.034 370 HB3 PRO 55 2HB PRO 55 -7.514 -0.535 -4.718 371 HG2 PRO 55 1HG PRO 55 -6.189 -2.793 -3.266 372 HG3 PRO 55 2HG PRO 55 -6.885 -2.766 -4.897 373 HD2 PRO 55 1HD PRO 55 -4.223 -2.559 -4.445 374 HD3 PRO 55 2HD PRO 55 -5.026 -1.756 -5.810 375 H ILE 56 H ILE 56 -6.976 1.582 -1.775 376 HA ILE 56 HA ILE 56 -5.405 0.653 0.507 377 HB ILE 56 HB ILE 56 -7.331 2.972 0.320 378 HG12 ILE 56 1HG1 ILE 56 -4.313 3.047 0.418 379 HG13 ILE 56 2HG1 ILE 56 -5.231 3.120 -1.082 380 HG21 ILE 56 1HG2 ILE 56 -6.178 1.657 2.561 381 HG22 ILE 56 2HG2 ILE 56 -5.452 3.258 2.420 382 HG23 ILE 56 3HG2 ILE 56 -7.204 3.091 2.531 383 HD11 ILE 56 1HD1 ILE 56 -4.453 5.252 0.487 384 HD12 ILE 56 2HD1 ILE 56 -5.639 5.282 -0.819 385 HD13 ILE 56 3HD1 ILE 56 -6.169 5.057 0.848 386 H ASN 57 H ASN 57 -8.678 0.693 -0.718 387 HA ASN 57 HA ASN 57 -10.085 0.052 1.602 388 HB2 ASN 57 1HB ASN 57 -10.895 0.592 -0.842 389 HB3 ASN 57 2HB ASN 57 -10.872 -1.160 -1.021 390 HD21 ASN 57 1HD2 ASN 57 -12.553 -2.290 -0.306 391 HD22 ASN 57 2HD2 ASN 57 -13.846 -1.658 0.649 392 H TYR 58 H TYR 58 -7.757 -1.754 -0.039 393 HA TYR 58 HA TYR 58 -8.770 -4.306 0.995 394 HB2 TYR 58 1HB TYR 58 -6.851 -3.546 -1.162 395 HB3 TYR 58 2HB TYR 58 -6.642 -5.102 -0.368 396 HD1 TYR 58 2HD TYR 58 -8.817 -6.574 -0.212 397 HD2 TYR 58 1HD TYR 58 -8.258 -3.405 -2.995 398 HE1 TYR 58 2HE TYR 58 -10.546 -7.551 -1.663 399 HE2 TYR 58 1HE TYR 58 -9.986 -4.373 -4.454 400 HH TYR 58 HH TYR 58 -12.035 -5.920 -4.102 401 H VAL 59 H VAL 59 -6.043 -2.092 1.188 402 HA VAL 59 HA VAL 59 -4.901 -3.730 3.352 403 HB VAL 59 HB VAL 59 -2.778 -2.858 2.899 404 HG11 VAL 59 1HG1 VAL 59 -4.274 -3.281 0.325 405 HG12 VAL 59 2HG1 VAL 59 -2.522 -3.074 0.387 406 HG13 VAL 59 3HG1 VAL 59 -3.281 -4.434 1.216 407 HG21 VAL 59 1HG2 VAL 59 -2.450 -0.959 1.271 408 HG22 VAL 59 2HG2 VAL 59 -4.193 -0.697 1.350 409 HG23 VAL 59 3HG2 VAL 59 -3.209 -0.526 2.804 410 H GLU 60 H GLU 60 -4.703 -2.916 5.363 411 HA GLU 60 HA GLU 60 -5.910 -0.308 5.869 412 HB2 GLU 60 1HB GLU 60 -6.362 -2.587 7.131 413 HB3 GLU 60 2HB GLU 60 -4.951 -2.097 8.059 414 HG2 GLU 60 1HG GLU 60 -7.477 -0.498 7.713 415 HG3 GLU 60 2HG GLU 60 -7.018 -1.417 9.145 416 H ILE 61 H ILE 61 -4.836 1.430 6.627 417 HA ILE 61 HA ILE 61 -1.937 1.315 6.627 418 HB ILE 61 HB ILE 61 -3.873 3.614 6.863 419 HG12 ILE 61 1HG1 ILE 61 -3.759 2.816 4.624 420 HG13 ILE 61 2HG1 ILE 61 -2.734 4.246 4.684 421 HG21 ILE 61 1HG2 ILE 61 -1.154 3.483 7.732 422 HG22 ILE 61 2HG2 ILE 61 -1.275 4.570 6.350 423 HG23 ILE 61 3HG2 ILE 61 -2.271 4.847 7.779 424 HD11 ILE 61 1HD1 ILE 61 -1.401 2.822 3.510 425 HD12 ILE 61 2HD1 ILE 61 -0.856 2.472 5.151 426 HD13 ILE 61 3HD1 ILE 61 -1.996 1.391 4.352 427 H LEU 62 H LEU 62 -0.911 0.751 8.425 428 HA LEU 62 HA LEU 62 -2.126 1.149 11.026 429 HB2 LEU 62 1HB LEU 62 0.584 0.012 10.368 430 HB3 LEU 62 2HB LEU 62 -0.289 -0.136 11.892 431 HG LEU 62 HG LEU 62 -1.222 -1.341 9.290 432 HD11 LEU 62 1HD1 LEU 62 0.235 -2.985 9.567 433 HD12 LEU 62 2HD1 LEU 62 -0.417 -3.299 11.175 434 HD13 LEU 62 3HD1 LEU 62 0.913 -2.159 10.971 435 HD21 LEU 62 1HD2 LEU 62 -2.243 -1.261 12.071 436 HD22 LEU 62 2HD2 LEU 62 -2.400 -2.782 11.191 437 HD23 LEU 62 3HD2 LEU 62 -3.118 -1.308 10.540 438 H VAL 63 H VAL 63 0.674 2.318 9.214 439 HA VAL 63 HA VAL 63 1.076 4.371 11.292 440 HB VAL 63 HB VAL 63 3.099 3.199 9.380 441 HG11 VAL 63 1HG1 VAL 63 3.050 5.720 10.811 442 HG12 VAL 63 2HG1 VAL 63 4.442 4.729 11.254 443 HG13 VAL 63 3HG1 VAL 63 4.159 5.150 9.565 444 HG21 VAL 63 1HG2 VAL 63 4.212 2.463 11.473 445 HG22 VAL 63 2HG2 VAL 63 2.805 3.025 12.377 446 HG23 VAL 63 3HG2 VAL 63 2.638 1.709 11.214 447 H ALA 64 H ALA 64 0.147 6.202 10.641 448 HA ALA 64 HA ALA 64 -0.439 6.898 7.989 449 HB1 ALA 64 1HB ALA 64 -1.718 7.979 9.606 450 HB2 ALA 64 2HB ALA 64 -0.303 8.468 10.538 451 HB3 ALA 64 3HB ALA 64 -0.659 9.252 8.999 452 H LEU 65 H LEU 65 0.733 7.776 6.406 453 HA LEU 65 HA LEU 65 3.466 7.935 6.381 454 HB2 LEU 65 1HB LEU 65 1.338 9.264 4.771 455 HB3 LEU 65 2HB LEU 65 3.017 9.742 4.530 456 HG LEU 65 HG LEU 65 2.276 6.852 4.374 457 HD11 LEU 65 1HD1 LEU 65 1.089 7.038 2.509 458 HD12 LEU 65 2HD1 LEU 65 2.282 8.115 1.786 459 HD13 LEU 65 3HD1 LEU 65 1.003 8.774 2.806 460 HD21 LEU 65 1HD2 LEU 65 4.119 6.890 2.712 461 HD22 LEU 65 2HD2 LEU 65 4.616 7.394 4.327 462 HD23 LEU 65 3HD2 LEU 65 4.355 8.601 3.068 463 HA PRO 66 HA PRO 66 4.746 11.534 8.541 464 HB2 PRO 66 1HB PRO 66 6.834 12.377 7.025 465 HB3 PRO 66 2HB PRO 66 6.907 10.934 8.042 466 HG2 PRO 66 1HG PRO 66 6.426 11.152 5.095 467 HG3 PRO 66 2HG PRO 66 7.448 10.004 5.980 468 HD2 PRO 66 1HD PRO 66 4.979 9.359 5.075 469 HD3 PRO 66 2HD PRO 66 5.662 8.668 6.561 470 H HIS 67 H HIS 67 3.156 11.722 5.665 471 HA HIS 67 HA HIS 67 3.614 14.429 4.917 472 HB2 HIS 67 1HB HIS 67 2.711 13.227 3.168 473 HB3 HIS 67 2HB HIS 67 1.612 12.329 4.211 474 HD1 HIS 67 1HD HIS 67 -0.754 13.017 4.044 475 HD2 HIS 67 2HD HIS 67 1.825 16.081 2.938 476 HE1 HIS 67 1HE HIS 67 -2.236 14.900 3.282 477 HE2 HIS 67 2HE HIS 67 -0.652 16.711 2.537 478 H SER 68 H SER 68 2.574 16.277 5.484 479 HA SER 68 HA SER 68 0.152 16.252 7.036 480 HB2 SER 68 1HB SER 68 1.858 15.778 8.772 481 HB3 SER 68 2HB SER 68 2.691 17.269 8.336 482 HG SER 68 HG SER 68 1.360 18.262 9.604 483 H GLY 69 H GLY 69 -0.996 18.001 6.525 484 HA2 GLY 69 1HA GLY 69 0.458 20.312 5.394 485 HA3 GLY 69 2HA GLY 69 -1.130 19.794 4.846 486 HA PRO 70 HA PRO 70 -2.928 22.739 7.556 487 HB2 PRO 70 1HB PRO 70 -5.376 21.618 7.906 488 HB3 PRO 70 2HB PRO 70 -4.885 22.401 6.400 489 HG2 PRO 70 1HG PRO 70 -4.942 19.489 7.089 490 HG3 PRO 70 2HG PRO 70 -5.453 20.295 5.595 491 HD2 PRO 70 1HD PRO 70 -3.072 19.028 5.824 492 HD3 PRO 70 2HD PRO 70 -3.298 20.456 4.795 493 H SER 71 H SER 71 -3.160 23.120 9.712 494 HA SER 71 HA SER 71 -2.911 20.789 11.495 495 HB2 SER 71 1HB SER 71 -1.879 23.612 11.734 496 HB3 SER 71 2HB SER 71 -1.990 22.542 13.131 497 HG SER 71 HG SER 71 -0.797 21.365 10.974 498 H SER 72 H SER 72 -3.675 21.454 13.831 499 HA SER 72 HA SER 72 -6.480 22.150 13.546 500 HB2 SER 72 1HB SER 72 -6.801 21.191 15.680 501 HB3 SER 72 2HB SER 72 -5.564 20.184 14.928 502 HG SER 72 HG SER 72 -5.279 22.138 16.941 503 H GLY 73 H GLY 73 -7.415 23.454 15.482 504 HA2 GLY 73 1HA GLY 73 -7.186 25.294 16.973 505 HA3 GLY 73 2HA GLY 73 -5.646 25.676 16.218 Start of MODEL 7 1 H1 GLY 1 H GLY 1 15.521 -14.398 10.073 2 HA2 GLY 1 1HA GLY 1 17.029 -12.928 11.513 3 HA3 GLY 1 2HA GLY 1 17.290 -12.037 10.021 4 H SER 2 H SER 2 16.302 -10.139 10.269 5 HA SER 2 HA SER 2 13.792 -9.945 11.705 6 HB2 SER 2 1HB SER 2 15.597 -7.892 10.421 7 HB3 SER 2 2HB SER 2 14.047 -7.476 11.152 8 HG SER 2 HG SER 2 15.068 -8.778 13.020 9 H SER 3 H SER 3 14.973 -9.273 8.420 10 HA SER 3 HA SER 3 13.906 -9.101 6.418 11 HB2 SER 3 1HB SER 3 13.090 -11.423 7.393 12 HB3 SER 3 2HB SER 3 11.535 -10.594 7.460 13 HG SER 3 HG SER 3 12.219 -11.785 5.435 14 H GLY 4 H GLY 4 13.529 -6.978 8.231 15 HA2 GLY 4 1HA GLY 4 11.286 -5.692 7.023 16 HA3 GLY 4 2HA GLY 4 10.950 -6.116 8.695 17 H SER 5 H SER 5 10.950 -3.484 7.818 18 HA SER 5 HA SER 5 13.018 -2.382 9.529 19 HB2 SER 5 1HB SER 5 13.858 -2.502 7.075 20 HB3 SER 5 2HB SER 5 12.730 -1.178 6.788 21 HG SER 5 HG SER 5 14.592 -1.063 8.900 22 H SER 6 H SER 6 12.353 -0.593 10.591 23 HA SER 6 HA SER 6 9.709 0.059 10.857 24 HB2 SER 6 1HB SER 6 10.400 2.027 12.041 25 HB3 SER 6 2HB SER 6 11.611 0.783 12.352 26 HG SER 6 HG SER 6 11.821 3.157 10.942 27 H GLY 7 H GLY 7 8.706 2.268 10.395 28 HA2 GLY 7 1HA GLY 7 8.849 4.174 8.771 29 HA3 GLY 7 2HA GLY 7 9.230 2.951 7.568 30 HA PRO 8 HA PRO 8 4.586 3.801 7.827 31 HB2 PRO 8 1HB PRO 8 4.314 4.934 5.375 32 HB3 PRO 8 2HB PRO 8 4.661 5.871 6.832 33 HG2 PRO 8 1HG PRO 8 6.535 4.923 4.699 34 HG3 PRO 8 2HG PRO 8 6.465 6.500 5.507 35 HD2 PRO 8 1HD PRO 8 8.260 4.591 6.190 36 HD3 PRO 8 2HD PRO 8 7.589 5.737 7.369 37 H CYS 9 H CYS 9 3.778 1.807 7.544 38 HA CYS 9 HA CYS 9 3.826 0.676 4.846 39 HB2 CYS 9 1HB CYS 9 4.344 -1.057 7.260 40 HB3 CYS 9 2HB CYS 9 4.494 -1.491 5.562 41 HG CYS 9 HG CYS 9 6.961 -1.058 7.235 42 H CYS 10 H CYS 10 2.299 -1.290 4.763 43 HA CYS 10 HA CYS 10 0.110 -1.204 6.656 44 HB2 CYS 10 1HB CYS 10 -1.585 -0.793 4.862 45 HB3 CYS 10 2HB CYS 10 -0.568 0.598 5.215 46 HG CYS 10 HG CYS 10 0.062 1.007 2.771 47 H ARG 11 H ARG 11 -0.904 -3.128 6.812 48 HA ARG 11 HA ARG 11 0.086 -5.290 5.134 49 HB2 ARG 11 1HB ARG 11 0.043 -5.578 7.578 50 HB3 ARG 11 2HB ARG 11 -1.703 -5.361 7.571 51 HG2 ARG 11 1HG ARG 11 -2.025 -7.396 6.370 52 HG3 ARG 11 2HG ARG 11 -0.290 -7.568 6.095 53 HD2 ARG 11 1HD ARG 11 -0.556 -8.986 7.869 54 HD3 ARG 11 2HD ARG 11 -0.208 -7.485 8.725 55 HE ARG 11 HE ARG 11 -3.012 -7.994 8.261 56 HH11 ARG 11 2HH1 ARG 11 -0.307 -8.404 10.414 57 HH12 ARG 11 1HH1 ARG 11 -1.293 -8.634 11.819 58 HH21 ARG 11 2HH2 ARG 11 -4.321 -8.297 10.104 59 HH22 ARG 11 1HH2 ARG 11 -3.576 -8.574 11.642 60 H ALA 12 H ALA 12 -1.209 -6.654 3.909 61 HA ALA 12 HA ALA 12 -3.637 -5.439 2.902 62 HB1 ALA 12 1HB ALA 12 -1.643 -7.184 1.870 63 HB2 ALA 12 2HB ALA 12 -3.212 -7.976 1.720 64 HB3 ALA 12 3HB ALA 12 -2.959 -6.381 1.013 65 H LEU 13 H LEU 13 -5.601 -5.895 3.628 66 HA LEU 13 HA LEU 13 -6.049 -7.936 5.573 67 HB2 LEU 13 1HB LEU 13 -8.021 -6.230 4.060 68 HB3 LEU 13 2HB LEU 13 -8.390 -7.216 5.474 69 HG LEU 13 HG LEU 13 -6.314 -5.082 5.693 70 HD11 LEU 13 1HD1 LEU 13 -9.279 -4.577 5.885 71 HD12 LEU 13 2HD1 LEU 13 -8.237 -4.023 4.575 72 HD13 LEU 13 3HD1 LEU 13 -7.987 -3.422 6.214 73 HD21 LEU 13 1HD2 LEU 13 -6.434 -5.649 7.833 74 HD22 LEU 13 2HD2 LEU 13 -7.610 -6.898 7.425 75 HD23 LEU 13 3HD2 LEU 13 -8.158 -5.278 7.859 76 H TYR 14 H TYR 14 -6.111 -7.853 2.166 77 HA TYR 14 HA TYR 14 -6.998 -10.611 2.080 78 HB2 TYR 14 1HB TYR 14 -8.498 -8.394 0.683 79 HB3 TYR 14 2HB TYR 14 -8.642 -10.088 0.228 80 HD1 TYR 14 1HD TYR 14 -9.321 -7.625 2.884 81 HD2 TYR 14 2HD TYR 14 -9.925 -11.619 1.547 82 HE1 TYR 14 1HE TYR 14 -11.058 -7.929 4.598 83 HE2 TYR 14 2HE TYR 14 -11.665 -11.934 3.256 84 HH TYR 14 HH TYR 14 -13.161 -9.512 4.827 85 H ASP 15 H ASP 15 -7.082 -11.247 -0.421 86 HA ASP 15 HA ASP 15 -4.486 -10.409 -1.485 87 HB2 ASP 15 1HB ASP 15 -6.114 -12.674 -2.594 88 HB3 ASP 15 2HB ASP 15 -4.366 -12.461 -2.594 89 H PHE 16 H PHE 16 -4.209 -9.703 -3.600 90 HA PHE 16 HA PHE 16 -6.604 -9.224 -5.208 91 HB2 PHE 16 1HB PHE 16 -6.480 -7.144 -4.104 92 HB3 PHE 16 2HB PHE 16 -4.722 -7.105 -4.192 93 HD1 PHE 16 2HD PHE 16 -7.697 -7.178 -6.439 94 HD2 PHE 16 1HD PHE 16 -3.734 -5.771 -5.779 95 HE1 PHE 16 2HE PHE 16 -7.834 -5.835 -8.496 96 HE2 PHE 16 1HE PHE 16 -3.866 -4.424 -7.834 97 HZ PHE 16 HZ PHE 16 -5.918 -4.456 -9.196 98 H GLU 17 H GLU 17 -6.275 -9.569 -7.320 99 HA GLU 17 HA GLU 17 -3.542 -10.153 -8.189 100 HB2 GLU 17 1HB GLU 17 -4.593 -11.272 -10.102 101 HB3 GLU 17 2HB GLU 17 -5.212 -11.892 -8.578 102 HG2 GLU 17 1HG GLU 17 -7.095 -10.129 -8.954 103 HG3 GLU 17 2HG GLU 17 -6.570 -10.218 -10.634 104 HA PRO 18 HA PRO 18 -3.243 -6.409 -10.492 105 HB2 PRO 18 1HB PRO 18 -1.290 -7.153 -12.224 106 HB3 PRO 18 2HB PRO 18 -0.978 -6.793 -10.522 107 HG2 PRO 18 1HG PRO 18 -1.313 -9.447 -11.866 108 HG3 PRO 18 2HG PRO 18 -0.129 -8.955 -10.641 109 HD2 PRO 18 1HD PRO 18 -2.348 -10.382 -10.032 110 HD3 PRO 18 2HD PRO 18 -1.627 -9.212 -8.908 111 H GLU 19 H GLU 19 -3.966 -5.512 -12.393 112 HA GLU 19 HA GLU 19 -4.946 -7.374 -14.454 113 HB2 GLU 19 1HB GLU 19 -6.335 -4.931 -13.346 114 HB3 GLU 19 2HB GLU 19 -6.854 -5.781 -14.795 115 HG2 GLU 19 1HG GLU 19 -7.256 -7.793 -13.500 116 HG3 GLU 19 2HG GLU 19 -6.679 -6.986 -12.042 117 H ASN 20 H ASN 20 -3.717 -4.171 -13.686 118 HA ASN 20 HA ASN 20 -2.951 -3.866 -16.513 119 HB2 ASN 20 1HB ASN 20 -3.965 -1.736 -14.621 120 HB3 ASN 20 2HB ASN 20 -3.215 -1.388 -16.176 121 HD21 ASN 20 1HD2 ASN 20 -6.002 -2.669 -14.557 122 HD22 ASN 20 2HD2 ASN 20 -7.041 -2.706 -15.936 123 H GLU 21 H GLU 21 -1.069 -2.441 -16.845 124 HA GLU 21 HA GLU 21 1.131 -3.229 -15.342 125 HB2 GLU 21 1HB GLU 21 1.329 -2.368 -17.617 126 HB3 GLU 21 2HB GLU 21 0.815 -0.776 -17.079 127 HG2 GLU 21 1HG GLU 21 3.148 -0.664 -17.311 128 HG3 GLU 21 2HG GLU 21 2.837 -0.757 -15.579 129 H GLY 22 H GLY 22 -1.122 -0.649 -14.817 130 HA2 GLY 22 1HA GLY 22 0.605 0.615 -12.821 131 HA3 GLY 22 2HA GLY 22 -0.936 1.231 -13.399 132 H GLU 23 H GLU 23 -0.066 -1.943 -12.055 133 HA GLU 23 HA GLU 23 -1.553 -1.392 -9.629 134 HB2 GLU 23 1HB GLU 23 -2.461 -3.440 -11.650 135 HB3 GLU 23 2HB GLU 23 -2.964 -3.469 -9.966 136 HG2 GLU 23 1HG GLU 23 -3.931 -1.224 -10.240 137 HG3 GLU 23 2HG GLU 23 -3.480 -1.261 -11.944 138 H LEU 24 H LEU 24 -0.675 -2.428 -7.947 139 HA LEU 24 HA LEU 24 1.278 -4.551 -8.520 140 HB2 LEU 24 1HB LEU 24 2.380 -2.748 -7.494 141 HB3 LEU 24 2HB LEU 24 1.079 -2.512 -6.328 142 HG LEU 24 HG LEU 24 1.842 -4.944 -5.569 143 HD11 LEU 24 1HD1 LEU 24 3.807 -5.642 -6.321 144 HD12 LEU 24 2HD1 LEU 24 4.568 -4.107 -5.905 145 HD13 LEU 24 3HD1 LEU 24 3.789 -4.308 -7.474 146 HD21 LEU 24 1HD2 LEU 24 3.213 -3.872 -3.858 147 HD22 LEU 24 2HD2 LEU 24 1.736 -2.954 -4.155 148 HD23 LEU 24 3HD2 LEU 24 3.272 -2.395 -4.820 149 H GLY 25 H GLY 25 0.250 -6.458 -8.325 150 HA2 GLY 25 1HA GLY 25 -1.932 -6.999 -6.649 151 HA3 GLY 25 2HA GLY 25 -0.873 -8.210 -7.357 152 H PHE 26 H PHE 26 -2.152 -7.691 -4.598 153 HA PHE 26 HA PHE 26 0.316 -8.152 -3.055 154 HB2 PHE 26 1HB PHE 26 -0.906 -7.170 -1.097 155 HB3 PHE 26 2HB PHE 26 -0.566 -6.020 -2.385 156 HD1 PHE 26 1HD PHE 26 -3.261 -8.395 -1.371 157 HD2 PHE 26 2HD PHE 26 -2.250 -4.589 -2.988 158 HE1 PHE 26 1HE PHE 26 -5.648 -7.804 -1.466 159 HE2 PHE 26 2HE PHE 26 -4.635 -3.993 -3.084 160 HZ PHE 26 HZ PHE 26 -6.337 -5.601 -2.322 161 H LYS 27 H LYS 27 -0.267 -9.257 -0.875 162 HA LYS 27 HA LYS 27 -2.251 -11.375 -1.382 163 HB2 LYS 27 1HB LYS 27 0.595 -11.571 -0.487 164 HB3 LYS 27 2HB LYS 27 -0.564 -12.751 0.111 165 HG2 LYS 27 1HG LYS 27 -1.155 -12.942 -2.457 166 HG3 LYS 27 2HG LYS 27 0.499 -12.350 -2.630 167 HD2 LYS 27 1HD LYS 27 -0.163 -14.660 -0.829 168 HD3 LYS 27 2HD LYS 27 0.127 -14.890 -2.556 169 HE2 LYS 27 1HE LYS 27 2.345 -14.142 -2.393 170 HE3 LYS 27 2HE LYS 27 2.074 -13.415 -0.810 171 HZ1 LYS 27 1HZ LYS 27 1.479 -16.117 -0.576 172 HZ2 LYS 27 2HZ LYS 27 2.794 -15.288 0.092 173 HZ3 LYS 27 3HZ LYS 27 2.941 -16.025 -1.423 174 H GLU 28 H GLU 28 -2.763 -12.591 0.723 175 HA GLU 28 HA GLU 28 -3.822 -10.723 2.572 176 HB2 GLU 28 1HB GLU 28 -4.686 -13.077 1.960 177 HB3 GLU 28 2HB GLU 28 -3.516 -13.660 3.135 178 HG2 GLU 28 1HG GLU 28 -4.586 -12.269 4.857 179 HG3 GLU 28 2HG GLU 28 -5.788 -11.762 3.673 180 H GLY 29 H GLY 29 -3.088 -10.004 4.494 181 HA2 GLY 29 1HA GLY 29 -1.675 -9.649 6.269 182 HA3 GLY 29 2HA GLY 29 -1.179 -11.326 6.101 183 H ASP 30 H ASP 30 -0.851 -9.020 3.499 184 HA ASP 30 HA ASP 30 2.067 -9.263 3.743 185 HB2 ASP 30 1HB ASP 30 0.235 -8.787 1.408 186 HB3 ASP 30 2HB ASP 30 1.942 -8.365 1.312 187 H ILE 31 H ILE 31 3.274 -7.545 4.227 188 HA ILE 31 HA ILE 31 1.948 -4.957 4.507 189 HB ILE 31 HB ILE 31 4.662 -5.875 5.464 190 HG12 ILE 31 1HG1 ILE 31 3.627 -5.806 7.698 191 HG13 ILE 31 2HG1 ILE 31 2.088 -5.359 6.971 192 HG21 ILE 31 1HG2 ILE 31 3.347 -3.414 6.484 193 HG22 ILE 31 2HG2 ILE 31 5.060 -3.805 6.341 194 HG23 ILE 31 3HG2 ILE 31 4.138 -3.345 4.910 195 HD11 ILE 31 1HD1 ILE 31 2.589 -7.830 7.644 196 HD12 ILE 31 2HD1 ILE 31 1.707 -7.463 6.162 197 HD13 ILE 31 3HD1 ILE 31 3.422 -7.867 6.091 198 H ILE 32 H ILE 32 2.078 -3.555 2.895 199 HA ILE 32 HA ILE 32 4.398 -3.666 1.093 200 HB ILE 32 HB ILE 32 1.711 -2.363 0.643 201 HG12 ILE 32 1HG1 ILE 32 2.695 -4.703 -0.927 202 HG13 ILE 32 2HG1 ILE 32 2.063 -4.995 0.689 203 HG21 ILE 32 1HG2 ILE 32 3.417 -2.907 -1.663 204 HG22 ILE 32 2HG2 ILE 32 2.499 -1.461 -1.246 205 HG23 ILE 32 3HG2 ILE 32 4.094 -1.726 -0.542 206 HD11 ILE 32 1HD1 ILE 32 0.029 -5.017 -0.169 207 HD12 ILE 32 2HD1 ILE 32 0.217 -3.313 -0.586 208 HD13 ILE 32 3HD1 ILE 32 0.654 -4.560 -1.754 209 H THR 33 H THR 33 5.935 -2.247 1.561 210 HA THR 33 HA THR 33 5.875 -0.143 3.293 211 HB THR 33 HB THR 33 7.498 -0.346 0.751 212 HG1 THR 33 1HG THR 33 7.616 -1.911 2.694 213 HG21 THR 33 1HG2 THR 33 7.789 1.485 3.131 214 HG22 THR 33 2HG2 THR 33 7.532 1.947 1.449 215 HG23 THR 33 3HG2 THR 33 9.058 1.212 1.938 216 H LEU 34 H LEU 34 5.910 2.191 2.948 217 HA LEU 34 HA LEU 34 4.146 3.028 0.741 218 HB2 LEU 34 1HB LEU 34 4.133 3.790 3.639 219 HB3 LEU 34 2HB LEU 34 3.459 4.867 2.418 220 HG LEU 34 HG LEU 34 2.528 2.029 2.802 221 HD11 LEU 34 1HD1 LEU 34 2.078 4.324 4.475 222 HD12 LEU 34 2HD1 LEU 34 1.530 2.660 4.680 223 HD13 LEU 34 3HD1 LEU 34 0.570 3.793 3.728 224 HD21 LEU 34 1HD2 LEU 34 1.129 4.370 1.528 225 HD22 LEU 34 2HD2 LEU 34 0.669 2.667 1.474 226 HD23 LEU 34 3HD2 LEU 34 2.113 3.219 0.622 227 H THR 35 H THR 35 4.844 4.661 -0.491 228 HA THR 35 HA THR 35 7.166 6.212 0.457 229 HB THR 35 HB THR 35 8.079 6.269 -1.739 230 HG1 THR 35 1HG THR 35 6.892 5.961 -3.476 231 HG21 THR 35 1HG2 THR 35 7.573 3.803 -0.408 232 HG22 THR 35 2HG2 THR 35 8.946 4.243 -1.423 233 HG23 THR 35 3HG2 THR 35 7.511 3.517 -2.146 234 H ASN 36 H ASN 36 4.516 6.288 -1.932 235 HA ASN 36 HA ASN 36 3.835 8.981 -1.103 236 HB2 ASN 36 1HB ASN 36 5.107 8.343 -3.725 237 HB3 ASN 36 2HB ASN 36 3.822 9.546 -3.701 238 HD21 ASN 36 1HD2 ASN 36 7.052 9.155 -3.557 239 HD22 ASN 36 2HD2 ASN 36 7.492 10.594 -2.709 240 H GLN 37 H GLN 37 1.903 9.784 -2.436 241 HA GLN 37 HA GLN 37 0.169 7.510 -3.142 242 HB2 GLN 37 1HB GLN 37 -0.394 8.438 -0.910 243 HB3 GLN 37 2HB GLN 37 -0.678 10.004 -1.657 244 HG2 GLN 37 1HG GLN 37 -2.326 8.567 -3.154 245 HG3 GLN 37 2HG GLN 37 -2.321 7.542 -1.719 246 HE21 GLN 37 1HE2 GLN 37 -4.525 8.038 -1.409 247 HE22 GLN 37 2HE2 GLN 37 -5.014 9.549 -0.730 248 H ILE 38 H ILE 38 -0.903 7.674 -5.018 249 HA ILE 38 HA ILE 38 -0.626 10.184 -6.516 250 HB ILE 38 HB ILE 38 -1.162 7.371 -7.469 251 HG12 ILE 38 1HG1 ILE 38 1.032 8.140 -8.788 252 HG13 ILE 38 2HG1 ILE 38 1.212 9.165 -7.368 253 HG21 ILE 38 1HG2 ILE 38 -2.424 8.744 -8.909 254 HG22 ILE 38 2HG2 ILE 38 -1.167 9.980 -8.959 255 HG23 ILE 38 3HG2 ILE 38 -0.911 8.430 -9.760 256 HD11 ILE 38 1HD1 ILE 38 2.398 7.293 -6.772 257 HD12 ILE 38 2HD1 ILE 38 0.820 6.959 -6.059 258 HD13 ILE 38 3HD1 ILE 38 1.279 6.195 -7.580 259 H ASP 39 H ASP 39 -2.989 7.654 -5.731 260 HA ASP 39 HA ASP 39 -5.141 9.470 -6.577 261 HB2 ASP 39 1HB ASP 39 -5.496 6.554 -5.917 262 HB3 ASP 39 2HB ASP 39 -6.525 7.590 -6.903 263 H GLU 40 H GLU 40 -7.257 8.890 -5.221 264 HA GLU 40 HA GLU 40 -6.592 9.625 -2.494 265 HB2 GLU 40 1HB GLU 40 -9.316 9.310 -3.764 266 HB3 GLU 40 2HB GLU 40 -8.955 10.102 -2.237 267 HG2 GLU 40 1HG GLU 40 -7.819 11.880 -3.337 268 HG3 GLU 40 2HG GLU 40 -7.887 11.039 -4.885 269 H ASN 41 H ASN 41 -7.203 6.791 -4.185 270 HA ASN 41 HA ASN 41 -7.813 5.378 -1.677 271 HB2 ASN 41 1HB ASN 41 -9.138 5.151 -4.344 272 HB3 ASN 41 2HB ASN 41 -8.964 3.694 -3.370 273 HD21 ASN 41 1HD2 ASN 41 -11.347 5.219 -4.174 274 HD22 ASN 41 2HD2 ASN 41 -12.164 5.612 -2.703 275 H TRP 42 H TRP 42 -5.522 5.915 -3.868 276 HA TRP 42 HA TRP 42 -4.493 3.156 -3.731 277 HB2 TRP 42 1HB TRP 42 -4.030 5.201 -5.913 278 HB3 TRP 42 2HB TRP 42 -3.277 3.610 -5.834 279 HD1 TRP 42 HD TRP 42 -6.860 5.093 -6.037 280 HE1 TRP 42 1HE TRP 42 -8.301 3.483 -7.435 281 HE3 TRP 42 3HE TRP 42 -3.411 1.407 -6.840 282 HZ2 TRP 42 2HZ TRP 42 -8.014 0.980 -8.709 283 HZ3 TRP 42 3HZ TRP 42 -4.074 -0.562 -8.159 284 HH2 TRP 42 HH TRP 42 -6.328 -0.769 -9.072 285 H TYR 43 H TYR 43 -2.068 3.059 -3.860 286 HA TYR 43 HA TYR 43 -0.761 5.408 -2.694 287 HB2 TYR 43 1HB TYR 43 -1.109 2.743 -1.420 288 HB3 TYR 43 2HB TYR 43 0.452 3.532 -1.224 289 HD1 TYR 43 2HD TYR 43 -0.292 6.355 -0.993 290 HD2 TYR 43 1HD TYR 43 -2.166 2.903 0.644 291 HE1 TYR 43 2HE TYR 43 -1.210 7.725 0.832 292 HE2 TYR 43 1HE TYR 43 -3.090 4.263 2.472 293 HH TYR 43 HH TYR 43 -2.933 7.717 2.452 294 H GLU 44 H GLU 44 1.716 4.721 -2.366 295 HA GLU 44 HA GLU 44 2.595 3.221 -4.732 296 HB2 GLU 44 1HB GLU 44 2.560 5.792 -5.025 297 HB3 GLU 44 2HB GLU 44 3.944 5.787 -3.942 298 HG2 GLU 44 1HG GLU 44 5.063 4.201 -5.521 299 HG3 GLU 44 2HG GLU 44 3.726 4.477 -6.637 300 H GLY 45 H GLY 45 3.766 1.584 -3.982 301 HA2 GLY 45 1HA GLY 45 5.950 2.145 -2.130 302 HA3 GLY 45 2HA GLY 45 4.742 0.989 -1.589 303 H MET 46 H MET 46 6.935 -0.218 -1.553 304 HA MET 46 HA MET 46 7.333 -1.516 -4.169 305 HB2 MET 46 1HB MET 46 9.218 -0.748 -2.002 306 HB3 MET 46 2HB MET 46 9.547 -2.248 -2.859 307 HG2 MET 46 1HG MET 46 9.438 -0.961 -4.993 308 HG3 MET 46 2HG MET 46 9.325 0.511 -4.030 309 HE1 MET 46 1HE MET 46 11.301 0.714 -1.858 310 HE2 MET 46 2HE MET 46 12.776 1.157 -2.716 311 HE3 MET 46 3HE MET 46 11.223 1.812 -3.236 312 H LEU 47 H LEU 47 6.990 -3.653 -4.337 313 HA LEU 47 HA LEU 47 6.826 -5.278 -1.910 314 HB2 LEU 47 1HB LEU 47 4.549 -4.494 -2.434 315 HB3 LEU 47 2HB LEU 47 4.686 -5.222 -4.033 316 HG LEU 47 HG LEU 47 4.976 -7.443 -2.851 317 HD11 LEU 47 1HD1 LEU 47 4.937 -5.721 -0.579 318 HD12 LEU 47 2HD1 LEU 47 5.185 -7.465 -0.646 319 HD13 LEU 47 3HD1 LEU 47 3.554 -6.812 -0.499 320 HD21 LEU 47 1HD2 LEU 47 2.664 -7.813 -2.749 321 HD22 LEU 47 2HD2 LEU 47 2.855 -6.501 -3.913 322 HD23 LEU 47 3HD2 LEU 47 2.330 -6.150 -2.266 323 H HIS 48 H HIS 48 8.216 -6.880 -2.209 324 HA HIS 48 HA HIS 48 9.383 -8.590 -3.152 325 HB2 HIS 48 1HB HIS 48 6.855 -8.588 -4.755 326 HB3 HIS 48 2HB HIS 48 8.185 -9.632 -5.249 327 HD1 HIS 48 1HD HIS 48 8.683 -11.680 -3.797 328 HD2 HIS 48 2HD HIS 48 5.618 -9.297 -2.317 329 HE1 HIS 48 1HE HIS 48 7.595 -13.036 -1.981 330 HE2 HIS 48 2HE HIS 48 5.690 -11.609 -1.158 331 H GLY 49 H GLY 49 10.149 -5.988 -3.857 332 HA2 GLY 49 1HA GLY 49 11.661 -5.002 -5.286 333 HA3 GLY 49 2HA GLY 49 11.756 -6.533 -6.144 334 H HIS 50 H HIS 50 8.623 -5.189 -5.769 335 HA HIS 50 HA HIS 50 8.710 -4.194 -8.542 336 HB2 HIS 50 1HB HIS 50 6.369 -5.565 -7.204 337 HB3 HIS 50 2HB HIS 50 6.454 -5.026 -8.879 338 HD1 HIS 50 1HD HIS 50 8.769 -6.224 -10.095 339 HD2 HIS 50 2HD HIS 50 6.732 -8.227 -7.078 340 HE1 HIS 50 1HE HIS 50 9.384 -8.648 -10.363 341 HE2 HIS 50 2HE HIS 50 8.073 -9.851 -8.580 342 H SER 51 H SER 51 8.208 -2.121 -8.750 343 HA SER 51 HA SER 51 6.899 -0.753 -6.516 344 HB2 SER 51 1HB SER 51 9.106 0.062 -7.497 345 HB3 SER 51 2HB SER 51 8.185 0.545 -8.920 346 HG SER 51 HG SER 51 6.817 1.601 -7.094 347 H GLY 52 H GLY 52 4.751 -0.683 -6.666 348 HA2 GLY 52 1HA GLY 52 3.564 0.413 -9.097 349 HA3 GLY 52 2HA GLY 52 3.024 -1.188 -8.614 350 H PHE 53 H PHE 53 1.043 0.460 -8.753 351 HA PHE 53 HA PHE 53 0.638 1.678 -6.114 352 HB2 PHE 53 1HB PHE 53 -1.291 1.968 -8.391 353 HB3 PHE 53 2HB PHE 53 -0.955 3.082 -7.070 354 HD1 PHE 53 2HD PHE 53 1.826 3.574 -7.112 355 HD2 PHE 53 1HD PHE 53 -0.787 2.922 -10.408 356 HE1 PHE 53 2HE PHE 53 3.353 4.840 -8.569 357 HE2 PHE 53 1HE PHE 53 0.736 4.186 -11.870 358 HZ PHE 53 HZ PHE 53 2.809 5.148 -10.951 359 H PHE 54 H PHE 54 -1.162 1.186 -4.849 360 HA PHE 54 HA PHE 54 -2.870 -1.027 -5.698 361 HB2 PHE 54 1HB PHE 54 -2.523 -2.122 -3.446 362 HB3 PHE 54 2HB PHE 54 -1.151 -2.215 -4.546 363 HD1 PHE 54 1HD PHE 54 0.663 -0.389 -4.269 364 HD2 PHE 54 2HD PHE 54 -2.216 -1.363 -1.289 365 HE1 PHE 54 1HE PHE 54 2.112 0.609 -2.548 366 HE2 PHE 54 2HE PHE 54 -0.772 -0.366 0.436 367 HZ PHE 54 HZ PHE 54 1.394 0.622 -0.192 368 HA PRO 55 HA PRO 55 -6.049 1.224 -3.677 369 HB2 PRO 55 1HB PRO 55 -7.697 -0.784 -2.889 370 HB3 PRO 55 2HB PRO 55 -7.527 -0.288 -4.577 371 HG2 PRO 55 1HG PRO 55 -6.254 -2.585 -3.139 372 HG3 PRO 55 2HG PRO 55 -6.977 -2.540 -4.758 373 HD2 PRO 55 1HD PRO 55 -4.302 -2.422 -4.352 374 HD3 PRO 55 2HD PRO 55 -5.100 -1.596 -5.706 375 H ILE 56 H ILE 56 -6.854 1.829 -1.654 376 HA ILE 56 HA ILE 56 -5.279 0.856 0.605 377 HB ILE 56 HB ILE 56 -7.178 3.200 0.542 378 HG12 ILE 56 1HG1 ILE 56 -4.170 3.288 0.283 379 HG13 ILE 56 2HG1 ILE 56 -5.255 3.335 -1.103 380 HG21 ILE 56 1HG2 ILE 56 -5.293 3.734 2.424 381 HG22 ILE 56 2HG2 ILE 56 -6.868 3.015 2.756 382 HG23 ILE 56 3HG2 ILE 56 -5.449 1.984 2.573 383 HD11 ILE 56 1HD1 ILE 56 -4.475 5.442 0.713 384 HD12 ILE 56 2HD1 ILE 56 -5.245 5.538 -0.871 385 HD13 ILE 56 3HD1 ILE 56 -6.228 5.304 0.574 386 H ASN 57 H ASN 57 -8.415 0.586 -0.720 387 HA ASN 57 HA ASN 57 -9.826 0.075 1.714 388 HB2 ASN 57 1HB ASN 57 -10.729 0.780 -0.647 389 HB3 ASN 57 2HB ASN 57 -10.753 -0.956 -0.943 390 HD21 ASN 57 1HD2 ASN 57 -12.455 1.639 0.253 391 HD22 ASN 57 2HD2 ASN 57 -13.683 0.781 1.113 392 H TYR 58 H TYR 58 -7.439 -1.617 0.283 393 HA TYR 58 HA TYR 58 -8.542 -4.217 1.125 394 HB2 TYR 58 1HB TYR 58 -6.709 -3.461 -1.118 395 HB3 TYR 58 2HB TYR 58 -6.574 -5.062 -0.399 396 HD1 TYR 58 2HD TYR 58 -8.796 -6.422 -0.229 397 HD2 TYR 58 1HD TYR 58 -8.229 -3.107 -2.835 398 HE1 TYR 58 2HE TYR 58 -10.657 -7.213 -1.630 399 HE2 TYR 58 1HE TYR 58 -10.089 -3.888 -4.243 400 HH TYR 58 HH TYR 58 -11.269 -6.845 -4.256 401 H VAL 59 H VAL 59 -6.147 -1.849 1.656 402 HA VAL 59 HA VAL 59 -4.714 -3.679 3.469 403 HB VAL 59 HB VAL 59 -2.658 -2.698 3.000 404 HG11 VAL 59 1HG1 VAL 59 -2.450 -3.572 0.969 405 HG12 VAL 59 2HG1 VAL 59 -4.211 -3.630 0.861 406 HG13 VAL 59 3HG1 VAL 59 -3.334 -2.227 0.249 407 HG21 VAL 59 1HG2 VAL 59 -4.226 -0.394 1.874 408 HG22 VAL 59 2HG2 VAL 59 -3.111 -0.397 3.240 409 HG23 VAL 59 3HG2 VAL 59 -2.495 -0.585 1.599 410 H GLU 60 H GLU 60 -4.263 -2.963 5.516 411 HA GLU 60 HA GLU 60 -5.701 -0.564 6.358 412 HB2 GLU 60 1HB GLU 60 -5.917 -2.872 7.482 413 HB3 GLU 60 2HB GLU 60 -4.344 -2.529 8.186 414 HG2 GLU 60 1HG GLU 60 -6.140 -1.968 9.720 415 HG3 GLU 60 2HG GLU 60 -5.233 -0.532 9.248 416 H ILE 61 H ILE 61 -4.740 1.232 7.120 417 HA ILE 61 HA ILE 61 -1.858 1.433 6.859 418 HB ILE 61 HB ILE 61 -3.803 3.600 7.653 419 HG12 ILE 61 1HG1 ILE 61 -4.355 2.559 5.450 420 HG13 ILE 61 2HG1 ILE 61 -3.886 4.252 5.330 421 HG21 ILE 61 1HG2 ILE 61 -0.981 3.503 7.535 422 HG22 ILE 61 2HG2 ILE 61 -1.530 4.513 6.199 423 HG23 ILE 61 3HG2 ILE 61 -2.014 4.897 7.851 424 HD11 ILE 61 1HD1 ILE 61 -1.902 2.053 4.903 425 HD12 ILE 61 2HD1 ILE 61 -2.956 2.618 3.607 426 HD13 ILE 61 3HD1 ILE 61 -1.828 3.734 4.376 427 H LEU 62 H LEU 62 -0.619 0.872 8.519 428 HA LEU 62 HA LEU 62 -1.625 1.083 11.244 429 HB2 LEU 62 1HB LEU 62 1.090 0.086 10.457 430 HB3 LEU 62 2HB LEU 62 0.140 -0.313 11.887 431 HG LEU 62 HG LEU 62 -0.910 -1.118 9.219 432 HD11 LEU 62 1HD1 LEU 62 0.946 -2.982 10.592 433 HD12 LEU 62 2HD1 LEU 62 1.642 -1.700 9.602 434 HD13 LEU 62 3HD1 LEU 62 0.520 -2.856 8.885 435 HD21 LEU 62 1HD2 LEU 62 -0.920 -2.396 11.952 436 HD22 LEU 62 2HD2 LEU 62 -1.747 -3.010 10.520 437 HD23 LEU 62 3HD2 LEU 62 -2.240 -1.473 11.232 438 H VAL 63 H VAL 63 0.981 2.361 9.226 439 HA VAL 63 HA VAL 63 1.537 4.351 11.331 440 HB VAL 63 HB VAL 63 3.385 3.110 9.302 441 HG11 VAL 63 1HG1 VAL 63 4.113 5.272 9.094 442 HG12 VAL 63 2HG1 VAL 63 3.590 5.721 10.719 443 HG13 VAL 63 3HG1 VAL 63 5.052 4.760 10.496 444 HG21 VAL 63 1HG2 VAL 63 3.228 1.840 11.309 445 HG22 VAL 63 2HG2 VAL 63 4.755 2.721 11.371 446 HG23 VAL 63 3HG2 VAL 63 3.373 3.286 12.309 447 H ALA 64 H ALA 64 0.612 6.222 10.823 448 HA ALA 64 HA ALA 64 -0.242 6.984 8.262 449 HB1 ALA 64 1HB ALA 64 -0.487 9.256 9.267 450 HB2 ALA 64 2HB ALA 64 -1.259 7.965 10.189 451 HB3 ALA 64 3HB ALA 64 0.281 8.634 10.728 452 H LEU 65 H LEU 65 0.757 7.916 6.590 453 HA LEU 65 HA LEU 65 3.486 8.040 6.293 454 HB2 LEU 65 1HB LEU 65 1.216 9.396 4.914 455 HB3 LEU 65 2HB LEU 65 2.867 9.866 4.513 456 HG LEU 65 HG LEU 65 2.009 6.995 4.382 457 HD11 LEU 65 1HD1 LEU 65 0.951 7.216 2.411 458 HD12 LEU 65 2HD1 LEU 65 1.990 8.537 1.878 459 HD13 LEU 65 3HD1 LEU 65 0.650 8.859 2.978 460 HD21 LEU 65 1HD2 LEU 65 3.829 6.815 2.821 461 HD22 LEU 65 2HD2 LEU 65 4.412 7.601 4.289 462 HD23 LEU 65 3HD2 LEU 65 4.078 8.561 2.847 463 HA PRO 66 HA PRO 66 4.991 11.615 8.345 464 HB2 PRO 66 1HB PRO 66 6.909 12.478 6.629 465 HB3 PRO 66 2HB PRO 66 7.087 11.022 7.614 466 HG2 PRO 66 1HG PRO 66 6.300 11.277 4.737 467 HG3 PRO 66 2HG PRO 66 7.408 10.119 5.496 468 HD2 PRO 66 1HD PRO 66 4.857 9.484 4.847 469 HD3 PRO 66 2HD PRO 66 5.692 8.775 6.244 470 H HIS 67 H HIS 67 3.190 11.838 5.561 471 HA HIS 67 HA HIS 67 3.220 14.785 5.648 472 HB2 HIS 67 1HB HIS 67 3.925 14.411 3.489 473 HB3 HIS 67 2HB HIS 67 3.061 12.882 3.357 474 HD1 HIS 67 1HD HIS 67 0.823 12.931 2.231 475 HD2 HIS 67 2HD HIS 67 2.221 16.731 3.163 476 HE1 HIS 67 1HE HIS 67 -0.778 14.527 1.127 477 HE2 HIS 67 2HE HIS 67 0.137 16.818 1.634 478 H SER 68 H SER 68 1.319 15.832 5.926 479 HA SER 68 HA SER 68 -0.997 14.187 6.583 480 HB2 SER 68 1HB SER 68 -0.076 16.108 8.046 481 HB3 SER 68 2HB SER 68 -0.849 17.181 6.879 482 HG SER 68 HG SER 68 -2.726 16.691 7.691 483 H GLY 69 H GLY 69 -2.853 14.136 5.441 484 HA2 GLY 69 1HA GLY 69 -3.481 16.171 3.487 485 HA3 GLY 69 2HA GLY 69 -3.041 14.620 2.788 486 HA PRO 70 HA PRO 70 -7.606 14.566 3.453 487 HB2 PRO 70 1HB PRO 70 -8.157 13.344 1.092 488 HB3 PRO 70 2HB PRO 70 -7.970 15.095 1.247 489 HG2 PRO 70 1HG PRO 70 -5.995 13.056 0.296 490 HG3 PRO 70 2HG PRO 70 -6.360 14.657 -0.373 491 HD2 PRO 70 1HD PRO 70 -4.204 14.192 1.198 492 HD3 PRO 70 2HD PRO 70 -5.063 15.746 1.191 493 H SER 71 H SER 71 -8.248 12.993 4.773 494 HA SER 71 HA SER 71 -8.176 10.242 3.958 495 HB2 SER 71 1HB SER 71 -6.902 9.453 5.958 496 HB3 SER 71 2HB SER 71 -5.916 10.371 4.820 497 HG SER 71 HG SER 71 -6.976 11.216 7.304 498 H SER 72 H SER 72 -8.858 8.863 6.051 499 HA SER 72 HA SER 72 -11.047 10.356 7.345 500 HB2 SER 72 1HB SER 72 -12.076 8.893 5.770 501 HB3 SER 72 2HB SER 72 -11.027 7.550 6.227 502 HG SER 72 HG SER 72 -13.273 7.629 7.108 503 H GLY 73 H GLY 73 -10.749 10.529 9.459 504 HA2 GLY 73 1HA GLY 73 -10.204 8.271 11.110 505 HA3 GLY 73 2HA GLY 73 -8.783 9.295 10.958 Start of MODEL 8 1 H1 GLY 1 H GLY 1 13.107 -10.815 15.139 2 HA2 GLY 1 1HA GLY 1 15.026 -12.822 15.539 3 HA3 GLY 1 2HA GLY 1 15.323 -12.093 13.968 4 H SER 2 H SER 2 15.887 -9.870 13.857 5 HA SER 2 HA SER 2 16.929 -8.808 16.402 6 HB2 SER 2 1HB SER 2 18.675 -7.674 15.023 7 HB3 SER 2 2HB SER 2 18.762 -9.434 14.944 8 HG SER 2 HG SER 2 18.313 -7.634 12.961 9 H SER 3 H SER 3 15.636 -7.908 13.221 10 HA SER 3 HA SER 3 14.253 -5.659 14.442 11 HB2 SER 3 1HB SER 3 16.591 -4.946 13.561 12 HB3 SER 3 2HB SER 3 15.867 -5.120 11.962 13 HG SER 3 HG SER 3 14.428 -3.523 12.436 14 H GLY 4 H GLY 4 12.771 -4.585 12.829 15 HA2 GLY 4 1HA GLY 4 11.780 -6.606 10.912 16 HA3 GLY 4 2HA GLY 4 10.718 -5.584 11.870 17 H SER 5 H SER 5 10.594 -3.335 11.379 18 HA SER 5 HA SER 5 11.940 -2.249 9.099 19 HB2 SER 5 1HB SER 5 9.149 -3.298 8.831 20 HB3 SER 5 2HB SER 5 9.599 -1.835 7.955 21 HG SER 5 HG SER 5 10.796 -2.984 6.651 22 H SER 6 H SER 6 12.019 -0.093 9.267 23 HA SER 6 HA SER 6 10.197 1.187 11.195 24 HB2 SER 6 1HB SER 6 12.998 1.996 10.378 25 HB3 SER 6 2HB SER 6 11.979 2.874 11.518 26 HG SER 6 HG SER 6 12.723 1.575 12.976 27 H GLY 7 H GLY 7 8.605 2.185 10.135 28 HA2 GLY 7 1HA GLY 7 8.684 4.486 8.798 29 HA3 GLY 7 2HA GLY 7 9.092 3.358 7.513 30 HA PRO 8 HA PRO 8 4.426 3.847 7.970 31 HB2 PRO 8 1HB PRO 8 3.982 4.932 5.521 32 HB3 PRO 8 2HB PRO 8 4.327 5.906 6.955 33 HG2 PRO 8 1HG PRO 8 6.170 5.056 4.755 34 HG3 PRO 8 2HG PRO 8 6.031 6.635 5.551 35 HD2 PRO 8 1HD PRO 8 7.972 4.853 6.177 36 HD3 PRO 8 2HD PRO 8 7.276 5.967 7.372 37 H CYS 9 H CYS 9 3.703 1.820 7.724 38 HA CYS 9 HA CYS 9 3.849 0.621 5.049 39 HB2 CYS 9 1HB CYS 9 4.367 -1.560 5.974 40 HB3 CYS 9 2HB CYS 9 5.592 -0.406 6.485 41 HG CYS 9 HG CYS 9 2.978 -1.377 8.468 42 H CYS 10 H CYS 10 2.338 -1.370 4.969 43 HA CYS 10 HA CYS 10 0.019 -1.168 6.699 44 HB2 CYS 10 1HB CYS 10 -1.568 -0.794 4.890 45 HB3 CYS 10 2HB CYS 10 -0.413 0.531 4.960 46 HG CYS 10 HG CYS 10 0.888 -1.569 2.900 47 H ARG 11 H ARG 11 -1.427 -2.952 6.498 48 HA ARG 11 HA ARG 11 -0.204 -5.268 5.152 49 HB2 ARG 11 1HB ARG 11 -0.864 -6.638 6.893 50 HB3 ARG 11 2HB ARG 11 -0.499 -5.144 7.746 51 HG2 ARG 11 1HG ARG 11 -2.973 -4.601 7.536 52 HG3 ARG 11 2HG ARG 11 -3.185 -6.286 7.054 53 HD2 ARG 11 1HD ARG 11 -2.561 -7.094 9.132 54 HD3 ARG 11 2HD ARG 11 -1.679 -5.625 9.549 55 HE ARG 11 HE ARG 11 -4.308 -4.862 9.327 56 HH11 ARG 11 2HH1 ARG 11 -2.509 -7.152 11.234 57 HH12 ARG 11 1HH1 ARG 11 -3.578 -7.057 12.594 58 HH21 ARG 11 2HH2 ARG 11 -5.723 -4.727 11.111 59 HH22 ARG 11 1HH2 ARG 11 -5.406 -5.677 12.523 60 H ALA 12 H ALA 12 -1.529 -6.738 4.052 61 HA ALA 12 HA ALA 12 -3.972 -5.554 2.997 62 HB1 ALA 12 1HB ALA 12 -2.698 -6.345 1.245 63 HB2 ALA 12 2HB ALA 12 -2.173 -7.776 2.133 64 HB3 ALA 12 3HB ALA 12 -3.818 -7.683 1.506 65 H LEU 13 H LEU 13 -5.988 -6.291 3.365 66 HA LEU 13 HA LEU 13 -6.353 -8.238 5.469 67 HB2 LEU 13 1HB LEU 13 -8.325 -6.605 3.879 68 HB3 LEU 13 2HB LEU 13 -8.757 -7.670 5.216 69 HG LEU 13 HG LEU 13 -6.865 -5.361 5.569 70 HD11 LEU 13 1HD1 LEU 13 -9.859 -5.329 5.917 71 HD12 LEU 13 2HD1 LEU 13 -8.962 -4.491 4.652 72 HD13 LEU 13 3HD1 LEU 13 -8.745 -4.029 6.340 73 HD21 LEU 13 1HD2 LEU 13 -6.952 -5.834 7.765 74 HD22 LEU 13 2HD2 LEU 13 -7.439 -7.436 7.210 75 HD23 LEU 13 3HD2 LEU 13 -8.661 -6.266 7.713 76 H TYR 14 H TYR 14 -6.777 -8.038 2.006 77 HA TYR 14 HA TYR 14 -7.417 -10.902 1.974 78 HB2 TYR 14 1HB TYR 14 -8.862 -8.719 0.474 79 HB3 TYR 14 2HB TYR 14 -8.953 -10.414 0.009 80 HD1 TYR 14 1HD TYR 14 -9.467 -8.207 2.977 81 HD2 TYR 14 2HD TYR 14 -10.637 -11.732 0.900 82 HE1 TYR 14 1HE TYR 14 -11.292 -8.545 4.591 83 HE2 TYR 14 2HE TYR 14 -12.466 -12.079 2.508 84 HH TYR 14 HH TYR 14 -13.769 -10.902 4.096 85 H ASP 15 H ASP 15 -7.357 -11.614 -0.500 86 HA ASP 15 HA ASP 15 -4.687 -10.890 -1.409 87 HB2 ASP 15 1HB ASP 15 -6.527 -13.007 -2.536 88 HB3 ASP 15 2HB ASP 15 -4.790 -12.857 -2.789 89 H PHE 16 H PHE 16 -4.205 -10.053 -3.419 90 HA PHE 16 HA PHE 16 -6.410 -9.366 -5.208 91 HB2 PHE 16 1HB PHE 16 -6.305 -7.376 -3.917 92 HB3 PHE 16 2HB PHE 16 -4.544 -7.380 -3.919 93 HD1 PHE 16 2HD PHE 16 -7.049 -7.704 -6.661 94 HD2 PHE 16 1HD PHE 16 -3.806 -5.498 -5.009 95 HE1 PHE 16 2HE PHE 16 -7.053 -6.230 -8.631 96 HE2 PHE 16 1HE PHE 16 -3.805 -4.019 -6.976 97 HZ PHE 16 HZ PHE 16 -5.430 -4.385 -8.790 98 H GLU 17 H GLU 17 -5.864 -9.369 -7.334 99 HA GLU 17 HA GLU 17 -3.014 -9.733 -7.985 100 HB2 GLU 17 1HB GLU 17 -3.972 -11.132 -9.950 101 HB3 GLU 17 2HB GLU 17 -3.859 -11.863 -8.356 102 HG2 GLU 17 1HG GLU 17 -6.377 -10.525 -9.260 103 HG3 GLU 17 2HG GLU 17 -6.010 -12.187 -9.719 104 HA PRO 18 HA PRO 18 -3.566 -6.279 -10.674 105 HB2 PRO 18 1HB PRO 18 -1.340 -6.618 -12.190 106 HB3 PRO 18 2HB PRO 18 -1.289 -6.009 -10.532 107 HG2 PRO 18 1HG PRO 18 -0.765 -8.774 -11.552 108 HG3 PRO 18 2HG PRO 18 0.126 -7.844 -10.334 109 HD2 PRO 18 1HD PRO 18 -1.661 -9.768 -9.675 110 HD3 PRO 18 2HD PRO 18 -1.390 -8.331 -8.668 111 H GLU 19 H GLU 19 -5.107 -6.313 -12.188 112 HA GLU 19 HA GLU 19 -5.476 -8.482 -13.999 113 HB2 GLU 19 1HB GLU 19 -6.700 -5.719 -13.941 114 HB3 GLU 19 2HB GLU 19 -7.218 -7.015 -15.010 115 HG2 GLU 19 1HG GLU 19 -7.758 -8.381 -13.018 116 HG3 GLU 19 2HG GLU 19 -7.352 -6.997 -12.005 117 H ASN 20 H ASN 20 -3.884 -5.376 -14.168 118 HA ASN 20 HA ASN 20 -2.966 -6.059 -16.878 119 HB2 ASN 20 1HB ASN 20 -3.711 -3.292 -15.900 120 HB3 ASN 20 2HB ASN 20 -3.041 -3.675 -17.484 121 HD21 ASN 20 1HD2 ASN 20 -5.821 -3.115 -15.793 122 HD22 ASN 20 2HD2 ASN 20 -6.960 -3.816 -16.887 123 H GLU 21 H GLU 21 -0.968 -4.773 -17.480 124 HA GLU 21 HA GLU 21 1.065 -5.278 -15.609 125 HB2 GLU 21 1HB GLU 21 2.549 -4.110 -17.174 126 HB3 GLU 21 2HB GLU 21 1.485 -5.229 -18.014 127 HG2 GLU 21 1HG GLU 21 0.025 -3.345 -18.625 128 HG3 GLU 21 2HG GLU 21 1.156 -2.243 -17.841 129 H GLY 22 H GLY 22 2.535 -3.750 -14.609 130 HA2 GLY 22 1HA GLY 22 3.093 -1.663 -13.687 131 HA3 GLY 22 2HA GLY 22 1.546 -1.032 -14.233 132 H GLU 23 H GLU 23 -0.303 -2.600 -13.128 133 HA GLU 23 HA GLU 23 -0.553 -1.700 -10.531 134 HB2 GLU 23 1HB GLU 23 -1.795 -4.056 -11.937 135 HB3 GLU 23 2HB GLU 23 -2.224 -3.626 -10.288 136 HG2 GLU 23 1HG GLU 23 -3.010 -1.465 -11.010 137 HG3 GLU 23 2HG GLU 23 -2.477 -1.790 -12.658 138 H LEU 24 H LEU 24 -0.517 -2.842 -8.493 139 HA LEU 24 HA LEU 24 1.527 -4.963 -8.414 140 HB2 LEU 24 1HB LEU 24 2.476 -2.987 -7.494 141 HB3 LEU 24 2HB LEU 24 1.036 -2.671 -6.529 142 HG LEU 24 HG LEU 24 1.633 -4.886 -5.335 143 HD11 LEU 24 1HD1 LEU 24 3.584 -5.887 -5.740 144 HD12 LEU 24 2HD1 LEU 24 4.456 -4.356 -5.816 145 HD13 LEU 24 3HD1 LEU 24 3.608 -4.960 -7.240 146 HD21 LEU 24 1HD2 LEU 24 1.764 -3.000 -4.018 147 HD22 LEU 24 2HD2 LEU 24 2.966 -2.228 -5.053 148 HD23 LEU 24 3HD2 LEU 24 3.436 -3.561 -3.996 149 H GLY 25 H GLY 25 0.988 -6.816 -7.436 150 HA2 GLY 25 1HA GLY 25 -1.651 -6.960 -6.163 151 HA3 GLY 25 2HA GLY 25 -0.729 -8.322 -6.782 152 H PHE 26 H PHE 26 -1.941 -7.317 -4.058 153 HA PHE 26 HA PHE 26 0.445 -7.861 -2.427 154 HB2 PHE 26 1HB PHE 26 -0.942 -6.915 -0.544 155 HB3 PHE 26 2HB PHE 26 -0.533 -5.767 -1.815 156 HD1 PHE 26 1HD PHE 26 -3.238 -8.249 -1.126 157 HD2 PHE 26 2HD PHE 26 -2.203 -4.324 -2.405 158 HE1 PHE 26 1HE PHE 26 -5.624 -7.714 -1.401 159 HE2 PHE 26 2HE PHE 26 -4.587 -3.782 -2.682 160 HZ PHE 26 HZ PHE 26 -6.301 -5.477 -2.179 161 H LYS 27 H LYS 27 0.058 -9.125 -0.421 162 HA LYS 27 HA LYS 27 -1.937 -11.245 -0.883 163 HB2 LYS 27 1HB LYS 27 0.667 -11.695 -1.068 164 HB3 LYS 27 2HB LYS 27 0.545 -11.785 0.684 165 HG2 LYS 27 1HG LYS 27 -0.836 -13.654 0.617 166 HG3 LYS 27 2HG LYS 27 -1.283 -13.380 -1.069 167 HD2 LYS 27 1HD LYS 27 0.741 -14.197 -1.868 168 HD3 LYS 27 2HD LYS 27 1.563 -13.946 -0.326 169 HE2 LYS 27 1HE LYS 27 -0.714 -15.858 -0.419 170 HE3 LYS 27 2HE LYS 27 0.819 -16.353 -1.135 171 HZ1 LYS 27 1HZ LYS 27 0.411 -15.441 1.662 172 HZ2 LYS 27 2HZ LYS 27 1.904 -15.853 0.982 173 HZ3 LYS 27 3HZ LYS 27 0.703 -17.031 1.163 174 H GLU 28 H GLU 28 -3.056 -12.053 0.883 175 HA GLU 28 HA GLU 28 -3.753 -10.311 2.911 176 HB2 GLU 28 1HB GLU 28 -5.134 -12.218 2.308 177 HB3 GLU 28 2HB GLU 28 -3.902 -13.329 2.891 178 HG2 GLU 28 1HG GLU 28 -4.254 -12.661 5.147 179 HG3 GLU 28 2HG GLU 28 -5.296 -11.329 4.649 180 H GLY 29 H GLY 29 -2.404 -9.448 4.354 181 HA2 GLY 29 1HA GLY 29 -1.321 -9.715 6.482 182 HA3 GLY 29 2HA GLY 29 -0.751 -11.290 5.949 183 H ASP 30 H ASP 30 0.009 -10.156 3.297 184 HA ASP 30 HA ASP 30 2.708 -9.591 3.881 185 HB2 ASP 30 1HB ASP 30 1.015 -9.546 1.424 186 HB3 ASP 30 2HB ASP 30 2.584 -8.748 1.368 187 H ILE 31 H ILE 31 3.602 -7.779 4.585 188 HA ILE 31 HA ILE 31 2.096 -5.313 4.612 189 HB ILE 31 HB ILE 31 4.890 -5.893 5.602 190 HG12 ILE 31 1HG1 ILE 31 3.234 -7.176 6.828 191 HG13 ILE 31 2HG1 ILE 31 3.814 -5.859 7.842 192 HG21 ILE 31 1HG2 ILE 31 3.458 -3.428 5.251 193 HG22 ILE 31 2HG2 ILE 31 3.788 -3.709 6.960 194 HG23 ILE 31 3HG2 ILE 31 5.114 -3.692 5.797 195 HD11 ILE 31 1HD1 ILE 31 1.146 -6.474 6.997 196 HD12 ILE 31 2HD1 ILE 31 1.705 -5.305 8.195 197 HD13 ILE 31 3HD1 ILE 31 1.591 -4.842 6.497 198 H ILE 32 H ILE 32 2.220 -3.755 3.142 199 HA ILE 32 HA ILE 32 4.435 -3.826 1.209 200 HB ILE 32 HB ILE 32 1.785 -2.415 0.905 201 HG12 ILE 32 1HG1 ILE 32 1.602 -4.410 -0.859 202 HG13 ILE 32 2HG1 ILE 32 2.637 -5.209 0.320 203 HG21 ILE 32 1HG2 ILE 32 4.032 -1.865 -0.418 204 HG22 ILE 32 2HG2 ILE 32 3.459 -3.211 -1.402 205 HG23 ILE 32 3HG2 ILE 32 2.441 -1.789 -1.175 206 HD11 ILE 32 1HD1 ILE 32 0.587 -5.828 1.087 207 HD12 ILE 32 2HD1 ILE 32 0.814 -4.337 2.003 208 HD13 ILE 32 3HD1 ILE 32 -0.188 -4.337 0.552 209 H THR 33 H THR 33 5.963 -2.346 1.433 210 HA THR 33 HA THR 33 5.927 -0.265 3.287 211 HB THR 33 HB THR 33 7.617 -0.461 0.786 212 HG1 THR 33 1HG THR 33 9.122 -1.202 2.626 213 HG21 THR 33 1HG2 THR 33 7.745 1.767 1.663 214 HG22 THR 33 2HG2 THR 33 9.217 0.917 2.134 215 HG23 THR 33 3HG2 THR 33 7.926 1.164 3.309 216 H LEU 34 H LEU 34 5.910 2.033 2.976 217 HA LEU 34 HA LEU 34 4.273 2.875 0.675 218 HB2 LEU 34 1HB LEU 34 4.293 3.956 3.488 219 HB3 LEU 34 2HB LEU 34 3.383 4.651 2.149 220 HG LEU 34 HG LEU 34 2.940 1.829 3.088 221 HD11 LEU 34 1HD1 LEU 34 1.219 2.553 4.533 222 HD12 LEU 34 2HD1 LEU 34 1.340 4.218 3.966 223 HD13 LEU 34 3HD1 LEU 34 2.637 3.522 4.935 224 HD21 LEU 34 1HD2 LEU 34 2.098 3.092 0.843 225 HD22 LEU 34 2HD2 LEU 34 0.776 3.460 1.951 226 HD23 LEU 34 3HD2 LEU 34 1.224 1.782 1.637 227 H THR 35 H THR 35 4.856 4.691 -0.435 228 HA THR 35 HA THR 35 7.246 6.137 0.494 229 HB THR 35 HB THR 35 8.132 6.224 -1.763 230 HG1 THR 35 1HG THR 35 6.263 6.122 -3.000 231 HG21 THR 35 1HG2 THR 35 7.661 3.348 -1.735 232 HG22 THR 35 2HG2 THR 35 8.105 3.986 -0.152 233 HG23 THR 35 3HG2 THR 35 9.164 4.249 -1.537 234 H ASN 36 H ASN 36 4.600 6.187 -1.894 235 HA ASN 36 HA ASN 36 3.919 8.887 -1.138 236 HB2 ASN 36 1HB ASN 36 5.227 8.252 -3.761 237 HB3 ASN 36 2HB ASN 36 4.037 9.546 -3.669 238 HD21 ASN 36 1HD2 ASN 36 7.213 8.969 -3.646 239 HD22 ASN 36 2HD2 ASN 36 7.769 10.300 -2.695 240 H GLN 37 H GLN 37 2.082 9.694 -2.655 241 HA GLN 37 HA GLN 37 0.378 7.420 -3.419 242 HB2 GLN 37 1HB GLN 37 -0.607 8.036 -1.403 243 HB3 GLN 37 2HB GLN 37 -0.258 9.743 -1.639 244 HG2 GLN 37 1HG GLN 37 -1.965 9.864 -3.372 245 HG3 GLN 37 2HG GLN 37 -2.307 8.148 -3.160 246 HE21 GLN 37 1HE2 GLN 37 -4.223 7.988 -2.240 247 HE22 GLN 37 2HE2 GLN 37 -4.761 8.872 -0.857 248 H ILE 38 H ILE 38 -0.558 7.584 -5.361 249 HA ILE 38 HA ILE 38 -0.171 10.074 -6.853 250 HB ILE 38 HB ILE 38 -0.810 7.272 -7.769 251 HG12 ILE 38 1HG1 ILE 38 1.408 7.950 -9.096 252 HG13 ILE 38 2HG1 ILE 38 1.612 9.004 -7.701 253 HG21 ILE 38 1HG2 ILE 38 -0.789 9.860 -9.286 254 HG22 ILE 38 2HG2 ILE 38 -0.480 8.318 -10.082 255 HG23 ILE 38 3HG2 ILE 38 -2.020 8.597 -9.270 256 HD11 ILE 38 1HD1 ILE 38 2.114 7.303 -6.338 257 HD12 ILE 38 2HD1 ILE 38 0.913 6.232 -7.059 258 HD13 ILE 38 3HD1 ILE 38 2.479 6.453 -7.838 259 H ASP 39 H ASP 39 -2.691 7.697 -6.084 260 HA ASP 39 HA ASP 39 -4.717 9.606 -7.025 261 HB2 ASP 39 1HB ASP 39 -5.349 6.779 -6.257 262 HB3 ASP 39 2HB ASP 39 -6.156 7.823 -7.424 263 H GLU 40 H GLU 40 -6.867 9.322 -5.716 264 HA GLU 40 HA GLU 40 -6.220 10.050 -2.992 265 HB2 GLU 40 1HB GLU 40 -7.843 11.427 -4.058 266 HB3 GLU 40 2HB GLU 40 -8.783 10.037 -4.578 267 HG2 GLU 40 1HG GLU 40 -9.503 9.593 -2.354 268 HG3 GLU 40 2HG GLU 40 -8.386 10.787 -1.695 269 H ASN 41 H ASN 41 -7.023 7.217 -4.619 270 HA ASN 41 HA ASN 41 -7.764 5.927 -2.080 271 HB2 ASN 41 1HB ASN 41 -9.086 5.748 -4.748 272 HB3 ASN 41 2HB ASN 41 -9.012 4.288 -3.765 273 HD21 ASN 41 1HD2 ASN 41 -10.576 7.240 -4.302 274 HD22 ASN 41 2HD2 ASN 41 -11.644 7.199 -2.945 275 H TRP 42 H TRP 42 -5.356 6.247 -4.116 276 HA TRP 42 HA TRP 42 -4.563 3.416 -3.933 277 HB2 TRP 42 1HB TRP 42 -3.949 5.353 -6.175 278 HB3 TRP 42 2HB TRP 42 -3.261 3.739 -6.025 279 HD1 TRP 42 HD TRP 42 -6.766 5.368 -6.377 280 HE1 TRP 42 1HE TRP 42 -8.252 3.758 -7.728 281 HE3 TRP 42 3HE TRP 42 -3.483 1.484 -6.908 282 HZ2 TRP 42 2HZ TRP 42 -8.059 1.183 -8.868 283 HZ3 TRP 42 3HZ TRP 42 -4.212 -0.516 -8.142 284 HH2 TRP 42 HH TRP 42 -6.453 -0.661 -9.101 285 H TYR 43 H TYR 43 -2.226 3.066 -3.821 286 HA TYR 43 HA TYR 43 -0.794 5.360 -2.653 287 HB2 TYR 43 1HB TYR 43 -1.200 2.612 -1.590 288 HB3 TYR 43 2HB TYR 43 0.379 3.347 -1.340 289 HD1 TYR 43 2HD TYR 43 -0.256 6.146 -0.856 290 HD2 TYR 43 1HD TYR 43 -2.291 2.647 0.455 291 HE1 TYR 43 2HE TYR 43 -1.137 7.389 1.075 292 HE2 TYR 43 1HE TYR 43 -3.179 3.880 2.389 293 HH TYR 43 HH TYR 43 -3.611 6.128 3.098 294 H GLU 44 H GLU 44 1.669 4.564 -2.380 295 HA GLU 44 HA GLU 44 2.533 3.143 -4.782 296 HB2 GLU 44 1HB GLU 44 2.382 5.662 -5.209 297 HB3 GLU 44 2HB GLU 44 3.730 5.819 -4.092 298 HG2 GLU 44 1HG GLU 44 5.006 4.239 -5.557 299 HG3 GLU 44 2HG GLU 44 3.689 4.365 -6.721 300 H GLY 45 H GLY 45 3.846 1.603 -4.069 301 HA2 GLY 45 1HA GLY 45 6.045 2.305 -2.296 302 HA3 GLY 45 2HA GLY 45 4.905 1.125 -1.668 303 H MET 46 H MET 46 7.150 0.010 -1.675 304 HA MET 46 HA MET 46 7.563 -1.318 -4.269 305 HB2 MET 46 1HB MET 46 9.394 -0.554 -2.053 306 HB3 MET 46 2HB MET 46 9.752 -2.043 -2.917 307 HG2 MET 46 1HG MET 46 9.650 -0.714 -5.043 308 HG3 MET 46 2HG MET 46 9.565 0.735 -4.043 309 HE1 MET 46 1HE MET 46 11.500 1.822 -2.850 310 HE2 MET 46 2HE MET 46 11.490 0.476 -1.711 311 HE3 MET 46 3HE MET 46 13.010 1.015 -2.426 312 H LEU 47 H LEU 47 7.560 -3.535 -4.411 313 HA LEU 47 HA LEU 47 7.276 -5.152 -2.022 314 HB2 LEU 47 1HB LEU 47 4.980 -4.324 -2.632 315 HB3 LEU 47 2HB LEU 47 5.133 -5.230 -4.136 316 HG LEU 47 HG LEU 47 5.351 -7.311 -2.795 317 HD11 LEU 47 1HD1 LEU 47 5.748 -5.524 -0.684 318 HD12 LEU 47 2HD1 LEU 47 5.622 -7.280 -0.594 319 HD13 LEU 47 3HD1 LEU 47 4.184 -6.281 -0.379 320 HD21 LEU 47 1HD2 LEU 47 2.983 -5.620 -3.033 321 HD22 LEU 47 2HD2 LEU 47 2.857 -6.843 -1.769 322 HD23 LEU 47 3HD2 LEU 47 3.207 -7.324 -3.430 323 H HIS 48 H HIS 48 8.694 -6.723 -2.355 324 HA HIS 48 HA HIS 48 9.930 -8.356 -3.348 325 HB2 HIS 48 1HB HIS 48 7.308 -8.528 -4.784 326 HB3 HIS 48 2HB HIS 48 8.657 -9.518 -5.333 327 HD1 HIS 48 1HD HIS 48 9.831 -10.818 -3.070 328 HD2 HIS 48 2HD HIS 48 5.779 -9.903 -3.050 329 HE1 HIS 48 1HE HIS 48 8.806 -12.344 -1.354 330 HE2 HIS 48 2HE HIS 48 6.341 -11.831 -1.420 331 H GLY 49 H GLY 49 10.553 -5.763 -4.150 332 HA2 GLY 49 1HA GLY 49 11.933 -4.760 -5.697 333 HA3 GLY 49 2HA GLY 49 11.990 -6.292 -6.556 334 H HIS 50 H HIS 50 8.823 -5.260 -6.020 335 HA HIS 50 HA HIS 50 8.675 -4.207 -8.768 336 HB2 HIS 50 1HB HIS 50 6.586 -5.708 -7.176 337 HB3 HIS 50 2HB HIS 50 6.331 -5.029 -8.781 338 HD1 HIS 50 1HD HIS 50 7.925 -6.087 -10.705 339 HD2 HIS 50 2HD HIS 50 7.585 -8.238 -7.166 340 HE1 HIS 50 1HE HIS 50 8.712 -8.412 -11.253 341 HE2 HIS 50 2HE HIS 50 8.417 -9.717 -9.119 342 H SER 51 H SER 51 8.009 -2.180 -9.025 343 HA SER 51 HA SER 51 6.878 -0.786 -6.701 344 HB2 SER 51 1HB SER 51 7.518 1.292 -7.996 345 HB3 SER 51 2HB SER 51 8.871 0.280 -7.490 346 HG SER 51 HG SER 51 8.278 1.065 -9.932 347 H GLY 52 H GLY 52 4.725 -0.752 -6.713 348 HA2 GLY 52 1HA GLY 52 3.364 0.276 -9.080 349 HA3 GLY 52 2HA GLY 52 2.884 -1.323 -8.534 350 H PHE 53 H PHE 53 0.934 0.466 -8.624 351 HA PHE 53 HA PHE 53 0.652 1.609 -5.940 352 HB2 PHE 53 1HB PHE 53 -1.391 2.018 -8.082 353 HB3 PHE 53 2HB PHE 53 -0.871 3.116 -6.807 354 HD1 PHE 53 2HD PHE 53 1.991 3.268 -7.151 355 HD2 PHE 53 1HD PHE 53 -1.080 3.091 -10.092 356 HE1 PHE 53 2HE PHE 53 3.459 4.429 -8.749 357 HE2 PHE 53 1HE PHE 53 0.383 4.250 -11.695 358 HZ PHE 53 HZ PHE 53 2.655 4.922 -11.024 359 H PHE 54 H PHE 54 -1.213 1.216 -4.678 360 HA PHE 54 HA PHE 54 -2.956 -0.977 -5.494 361 HB2 PHE 54 1HB PHE 54 -2.603 -2.015 -3.177 362 HB3 PHE 54 2HB PHE 54 -1.326 -2.252 -4.365 363 HD1 PHE 54 1HD PHE 54 0.693 -0.712 -4.264 364 HD2 PHE 54 2HD PHE 54 -2.145 -1.048 -1.110 365 HE1 PHE 54 1HE PHE 54 2.333 0.235 -2.693 366 HE2 PHE 54 2HE PHE 54 -0.511 -0.101 0.466 367 HZ PHE 54 HZ PHE 54 1.731 0.543 -0.324 368 HA PRO 55 HA PRO 55 -6.066 1.339 -3.441 369 HB2 PRO 55 1HB PRO 55 -7.743 -0.633 -2.622 370 HB3 PRO 55 2HB PRO 55 -7.584 -0.148 -4.315 371 HG2 PRO 55 1HG PRO 55 -6.338 -2.463 -2.883 372 HG3 PRO 55 2HG PRO 55 -7.079 -2.411 -4.493 373 HD2 PRO 55 1HD PRO 55 -4.398 -2.342 -4.121 374 HD3 PRO 55 2HD PRO 55 -5.197 -1.507 -5.469 375 H ILE 56 H ILE 56 -6.997 1.835 -1.386 376 HA ILE 56 HA ILE 56 -5.323 0.958 0.844 377 HB ILE 56 HB ILE 56 -7.239 3.269 0.562 378 HG12 ILE 56 1HG1 ILE 56 -4.959 4.434 1.188 379 HG13 ILE 56 2HG1 ILE 56 -4.265 2.938 0.574 380 HG21 ILE 56 1HG2 ILE 56 -7.543 2.920 2.782 381 HG22 ILE 56 2HG2 ILE 56 -6.025 2.042 2.965 382 HG23 ILE 56 3HG2 ILE 56 -6.019 3.803 2.874 383 HD11 ILE 56 1HD1 ILE 56 -4.354 4.687 -1.127 384 HD12 ILE 56 2HD1 ILE 56 -5.343 3.294 -1.566 385 HD13 ILE 56 3HD1 ILE 56 -6.107 4.761 -0.954 386 H ASN 57 H ASN 57 -8.669 1.004 -0.223 387 HA ASN 57 HA ASN 57 -9.914 0.225 2.155 388 HB2 ASN 57 1HB ASN 57 -11.116 1.011 0.132 389 HB3 ASN 57 2HB ASN 57 -10.724 -0.509 -0.668 390 HD21 ASN 57 1HD2 ASN 57 -12.075 0.563 2.437 391 HD22 ASN 57 2HD2 ASN 57 -13.382 -0.567 2.449 392 H TYR 58 H TYR 58 -7.687 -1.455 0.291 393 HA TYR 58 HA TYR 58 -8.666 -4.082 1.149 394 HB2 TYR 58 1HB TYR 58 -6.756 -3.158 -0.962 395 HB3 TYR 58 2HB TYR 58 -6.606 -4.792 -0.325 396 HD1 TYR 58 2HD TYR 58 -8.514 -6.385 -0.570 397 HD2 TYR 58 1HD TYR 58 -8.486 -2.586 -2.486 398 HE1 TYR 58 2HE TYR 58 -10.286 -7.148 -2.096 399 HE2 TYR 58 1HE TYR 58 -10.259 -3.338 -4.017 400 HH TYR 58 HH TYR 58 -10.989 -5.918 -4.860 401 H VAL 59 H VAL 59 -5.951 -1.873 1.472 402 HA VAL 59 HA VAL 59 -4.742 -3.686 3.453 403 HB VAL 59 HB VAL 59 -2.644 -2.597 3.102 404 HG11 VAL 59 1HG1 VAL 59 -2.512 -2.782 0.490 405 HG12 VAL 59 2HG1 VAL 59 -2.794 -4.216 1.479 406 HG13 VAL 59 3HG1 VAL 59 -4.144 -3.427 0.663 407 HG21 VAL 59 1HG2 VAL 59 -4.244 -0.610 1.516 408 HG22 VAL 59 2HG2 VAL 59 -3.192 -0.319 2.901 409 HG23 VAL 59 3HG2 VAL 59 -2.495 -0.759 1.342 410 H GLU 60 H GLU 60 -4.406 -3.024 5.519 411 HA GLU 60 HA GLU 60 -5.778 -0.606 6.353 412 HB2 GLU 60 1HB GLU 60 -6.028 -2.819 7.536 413 HB3 GLU 60 2HB GLU 60 -4.369 -2.636 8.088 414 HG2 GLU 60 1HG GLU 60 -5.909 -1.953 9.813 415 HG3 GLU 60 2HG GLU 60 -4.983 -0.567 9.239 416 H ILE 61 H ILE 61 -4.826 1.246 6.906 417 HA ILE 61 HA ILE 61 -1.930 1.428 6.737 418 HB ILE 61 HB ILE 61 -4.063 3.545 7.003 419 HG12 ILE 61 1HG1 ILE 61 -4.093 2.714 4.800 420 HG13 ILE 61 2HG1 ILE 61 -3.082 4.152 4.706 421 HG21 ILE 61 1HG2 ILE 61 -2.519 4.983 7.686 422 HG22 ILE 61 2HG2 ILE 61 -1.306 3.704 7.683 423 HG23 ILE 61 3HG2 ILE 61 -1.580 4.662 6.228 424 HD11 ILE 61 1HD1 ILE 61 -1.123 2.510 5.036 425 HD12 ILE 61 2HD1 ILE 61 -2.293 1.279 4.559 426 HD13 ILE 61 3HD1 ILE 61 -1.911 2.605 3.461 427 H LEU 62 H LEU 62 -0.948 0.762 8.563 428 HA LEU 62 HA LEU 62 -2.027 1.289 11.173 429 HB2 LEU 62 1HB LEU 62 0.762 0.356 10.565 430 HB3 LEU 62 2HB LEU 62 -0.189 0.077 12.022 431 HG LEU 62 HG LEU 62 -0.928 -1.095 9.350 432 HD11 LEU 62 1HD1 LEU 62 1.224 -1.975 9.764 433 HD12 LEU 62 2HD1 LEU 62 0.080 -3.205 10.300 434 HD13 LEU 62 3HD1 LEU 62 0.891 -2.181 11.484 435 HD21 LEU 62 1HD2 LEU 62 -1.805 -2.767 11.313 436 HD22 LEU 62 2HD2 LEU 62 -2.780 -1.517 10.540 437 HD23 LEU 62 3HD2 LEU 62 -1.985 -1.189 12.080 438 H VAL 63 H VAL 63 0.627 2.550 9.209 439 HA VAL 63 HA VAL 63 0.962 4.717 11.181 440 HB VAL 63 HB VAL 63 2.991 3.487 9.319 441 HG11 VAL 63 1HG1 VAL 63 3.842 5.553 9.146 442 HG12 VAL 63 2HG1 VAL 63 2.872 6.169 10.486 443 HG13 VAL 63 3HG1 VAL 63 4.375 5.304 10.809 444 HG21 VAL 63 1HG2 VAL 63 2.586 2.315 11.443 445 HG22 VAL 63 2HG2 VAL 63 4.210 2.998 11.361 446 HG23 VAL 63 3HG2 VAL 63 2.964 3.798 12.320 447 H ALA 64 H ALA 64 -0.061 6.473 10.475 448 HA ALA 64 HA ALA 64 -0.709 6.989 7.775 449 HB1 ALA 64 1HB ALA 64 -2.055 7.925 9.524 450 HB2 ALA 64 2HB ALA 64 -0.676 8.812 10.175 451 HB3 ALA 64 3HB ALA 64 -1.342 9.248 8.601 452 H LEU 65 H LEU 65 0.463 7.828 6.182 453 HA LEU 65 HA LEU 65 3.155 8.296 6.241 454 HB2 LEU 65 1HB LEU 65 1.103 9.627 4.481 455 HB3 LEU 65 2HB LEU 65 2.839 9.632 4.180 456 HG LEU 65 HG LEU 65 1.326 7.052 4.389 457 HD11 LEU 65 1HD1 LEU 65 1.033 7.090 1.963 458 HD12 LEU 65 2HD1 LEU 65 1.647 8.742 1.912 459 HD13 LEU 65 3HD1 LEU 65 0.131 8.390 2.743 460 HD21 LEU 65 1HD2 LEU 65 3.244 6.123 3.730 461 HD22 LEU 65 2HD2 LEU 65 3.996 7.669 4.123 462 HD23 LEU 65 3HD2 LEU 65 3.494 7.328 2.467 463 HA PRO 66 HA PRO 66 3.894 12.120 8.270 464 HB2 PRO 66 1HB PRO 66 6.091 12.986 6.930 465 HB3 PRO 66 2HB PRO 66 6.134 11.643 8.078 466 HG2 PRO 66 1HG PRO 66 5.998 11.575 5.088 467 HG3 PRO 66 2HG PRO 66 6.977 10.586 6.187 468 HD2 PRO 66 1HD PRO 66 4.682 9.684 5.069 469 HD3 PRO 66 2HD PRO 66 5.224 9.174 6.681 470 H HIS 67 H HIS 67 2.857 11.947 5.085 471 HA HIS 67 HA HIS 67 2.477 14.866 4.990 472 HB2 HIS 67 1HB HIS 67 4.158 13.728 3.306 473 HB3 HIS 67 2HB HIS 67 2.680 13.288 2.457 474 HD1 HIS 67 1HD HIS 67 3.001 14.829 0.472 475 HD2 HIS 67 2HD HIS 67 3.141 16.815 4.119 476 HE1 HIS 67 1HE HIS 67 2.957 17.279 -0.094 477 HE2 HIS 67 2HE HIS 67 3.128 18.461 2.123 478 H SER 68 H SER 68 0.388 15.188 5.401 479 HA SER 68 HA SER 68 -1.592 13.296 4.362 480 HB2 SER 68 1HB SER 68 -1.837 13.739 6.713 481 HB3 SER 68 2HB SER 68 -1.784 15.481 6.445 482 HG SER 68 HG SER 68 -3.922 14.767 6.715 483 H GLY 69 H GLY 69 -2.960 13.796 2.758 484 HA2 GLY 69 1HA GLY 69 -3.234 16.622 1.977 485 HA3 GLY 69 2HA GLY 69 -2.787 15.424 0.772 486 HA PRO 70 HA PRO 70 -7.055 14.856 -0.084 487 HB2 PRO 70 1HB PRO 70 -6.972 12.370 -1.171 488 HB3 PRO 70 2HB PRO 70 -6.381 13.807 -2.014 489 HG2 PRO 70 1HG PRO 70 -4.842 11.731 -0.503 490 HG3 PRO 70 2HG PRO 70 -4.462 12.495 -2.058 491 HD2 PRO 70 1HD PRO 70 -3.297 13.259 0.263 492 HD3 PRO 70 2HD PRO 70 -3.620 14.395 -1.063 493 H SER 71 H SER 71 -8.724 14.307 1.167 494 HA SER 71 HA SER 71 -8.326 12.412 3.328 495 HB2 SER 71 1HB SER 71 -10.359 13.270 4.254 496 HB3 SER 71 2HB SER 71 -9.461 14.654 3.631 497 HG SER 71 HG SER 71 -10.809 14.695 1.849 498 H SER 72 H SER 72 -8.902 10.352 3.232 499 HA SER 72 HA SER 72 -9.864 9.028 1.045 500 HB2 SER 72 1HB SER 72 -8.902 7.923 3.043 501 HB3 SER 72 2HB SER 72 -10.391 8.255 3.926 502 HG SER 72 HG SER 72 -9.909 6.149 2.522 503 H GLY 73 H GLY 73 -11.637 9.563 -0.069 504 HA2 GLY 73 1HA GLY 73 -14.210 9.422 1.314 505 HA3 GLY 73 2HA GLY 73 -13.842 10.909 0.454 Start of MODEL 9 1 H1 GLY 1 H GLY 1 8.260 -11.404 11.747 2 HA2 GLY 1 1HA GLY 1 9.052 -10.711 9.032 3 HA3 GLY 1 2HA GLY 1 8.511 -9.376 10.038 4 H SER 2 H SER 2 10.795 -8.719 9.439 5 HA SER 2 HA SER 2 12.905 -10.059 10.897 6 HB2 SER 2 1HB SER 2 13.171 -8.935 8.617 7 HB3 SER 2 2HB SER 2 13.115 -7.400 9.483 8 HG SER 2 HG SER 2 14.875 -9.344 10.426 9 H SER 3 H SER 3 13.490 -9.623 12.912 10 HA SER 3 HA SER 3 12.159 -7.972 14.649 11 HB2 SER 3 1HB SER 3 15.014 -8.952 14.712 12 HB3 SER 3 2HB SER 3 14.285 -8.066 16.051 13 HG SER 3 HG SER 3 14.113 -10.644 15.546 14 H GLY 4 H GLY 4 11.757 -5.886 14.140 15 HA2 GLY 4 1HA GLY 4 12.680 -3.660 14.636 16 HA3 GLY 4 2HA GLY 4 14.113 -4.147 13.742 17 H SER 5 H SER 5 10.815 -3.058 13.517 18 HA SER 5 HA SER 5 11.155 -2.729 10.608 19 HB2 SER 5 1HB SER 5 8.767 -2.865 10.362 20 HB3 SER 5 2HB SER 5 9.278 -4.234 11.349 21 HG SER 5 HG SER 5 8.113 -3.488 12.924 22 H SER 6 H SER 6 11.572 -0.713 10.029 23 HA SER 6 HA SER 6 10.314 1.478 11.546 24 HB2 SER 6 1HB SER 6 13.145 1.109 10.684 25 HB3 SER 6 2HB SER 6 12.479 2.741 10.642 26 HG SER 6 HG SER 6 11.984 1.275 12.942 27 H GLY 7 H GLY 7 9.187 2.916 10.385 28 HA2 GLY 7 1HA GLY 7 9.142 4.314 8.340 29 HA3 GLY 7 2HA GLY 7 9.509 2.846 7.447 30 HA PRO 8 HA PRO 8 4.822 3.625 8.063 31 HB2 PRO 8 1HB PRO 8 4.245 4.832 5.701 32 HB3 PRO 8 2HB PRO 8 4.662 5.733 7.163 33 HG2 PRO 8 1HG PRO 8 6.388 5.009 4.827 34 HG3 PRO 8 2HG PRO 8 6.287 6.543 5.710 35 HD2 PRO 8 1HD PRO 8 8.264 4.743 6.138 36 HD3 PRO 8 2HD PRO 8 7.629 5.789 7.425 37 H CYS 9 H CYS 9 3.885 1.728 7.669 38 HA CYS 9 HA CYS 9 3.988 0.624 4.961 39 HB2 CYS 9 1HB CYS 9 4.519 -1.598 5.732 40 HB3 CYS 9 2HB CYS 9 5.754 -0.494 6.324 41 HG CYS 9 HG CYS 9 4.180 -0.321 8.856 42 H CYS 10 H CYS 10 2.397 -1.231 4.736 43 HA CYS 10 HA CYS 10 0.150 -1.112 6.581 44 HB2 CYS 10 1HB CYS 10 -1.464 -0.683 4.740 45 HB3 CYS 10 2HB CYS 10 -0.392 0.678 5.045 46 HG CYS 10 HG CYS 10 0.625 0.837 2.682 47 H ARG 11 H ARG 11 -0.994 -2.985 6.675 48 HA ARG 11 HA ARG 11 0.016 -5.197 5.047 49 HB2 ARG 11 1HB ARG 11 0.081 -5.576 7.430 50 HB3 ARG 11 2HB ARG 11 -1.617 -5.146 7.587 51 HG2 ARG 11 1HG ARG 11 -2.074 -7.126 6.035 52 HG3 ARG 11 2HG ARG 11 -0.414 -7.611 6.386 53 HD2 ARG 11 1HD ARG 11 -2.201 -6.933 8.665 54 HD3 ARG 11 2HD ARG 11 -2.454 -8.468 7.835 55 HE ARG 11 HE ARG 11 0.180 -8.529 8.308 56 HH11 ARG 11 2HH1 ARG 11 -2.522 -7.762 10.366 57 HH12 ARG 11 1HH1 ARG 11 -1.750 -8.328 11.810 58 HH21 ARG 11 2HH2 ARG 11 1.207 -9.277 10.203 59 HH22 ARG 11 1HH2 ARG 11 0.371 -9.188 11.716 60 H ALA 12 H ALA 12 -1.397 -6.672 4.013 61 HA ALA 12 HA ALA 12 -3.757 -5.402 2.919 62 HB1 ALA 12 1HB ALA 12 -2.977 -8.201 2.249 63 HB2 ALA 12 2HB ALA 12 -3.660 -6.943 1.218 64 HB3 ALA 12 3HB ALA 12 -1.964 -6.866 1.697 65 H LEU 13 H LEU 13 -5.844 -6.423 2.853 66 HA LEU 13 HA LEU 13 -6.362 -8.068 5.239 67 HB2 LEU 13 1HB LEU 13 -8.095 -6.076 3.794 68 HB3 LEU 13 2HB LEU 13 -8.705 -7.171 5.033 69 HG LEU 13 HG LEU 13 -6.489 -5.208 5.568 70 HD11 LEU 13 1HD1 LEU 13 -8.001 -3.579 6.229 71 HD12 LEU 13 2HD1 LEU 13 -9.350 -4.712 6.295 72 HD13 LEU 13 3HD1 LEU 13 -8.710 -4.193 4.736 73 HD21 LEU 13 1HD2 LEU 13 -8.141 -5.753 7.798 74 HD22 LEU 13 2HD2 LEU 13 -6.453 -6.201 7.551 75 HD23 LEU 13 3HD2 LEU 13 -7.740 -7.297 7.047 76 H TYR 14 H TYR 14 -6.682 -7.852 1.809 77 HA TYR 14 HA TYR 14 -7.825 -10.545 1.769 78 HB2 TYR 14 1HB TYR 14 -8.922 -8.183 0.235 79 HB3 TYR 14 2HB TYR 14 -9.335 -9.857 -0.118 80 HD1 TYR 14 2HD TYR 14 -10.729 -11.146 1.417 81 HD2 TYR 14 1HD TYR 14 -9.792 -7.070 2.199 82 HE1 TYR 14 2HE TYR 14 -12.527 -11.060 3.093 83 HE2 TYR 14 1HE TYR 14 -11.586 -6.973 3.878 84 HH TYR 14 HH TYR 14 -13.996 -8.725 4.098 85 H ASP 15 H ASP 15 -7.815 -11.374 -0.596 86 HA ASP 15 HA ASP 15 -5.127 -10.906 -1.619 87 HB2 ASP 15 1HB ASP 15 -5.492 -12.932 -2.945 88 HB3 ASP 15 2HB ASP 15 -5.861 -13.222 -1.247 89 H PHE 16 H PHE 16 -4.737 -9.633 -3.296 90 HA PHE 16 HA PHE 16 -6.929 -9.095 -5.191 91 HB2 PHE 16 1HB PHE 16 -6.558 -7.088 -3.940 92 HB3 PHE 16 2HB PHE 16 -4.813 -7.223 -4.125 93 HD1 PHE 16 2HD PHE 16 -7.849 -7.061 -6.293 94 HD2 PHE 16 1HD PHE 16 -3.828 -5.824 -5.644 95 HE1 PHE 16 2HE PHE 16 -7.960 -5.654 -8.308 96 HE2 PHE 16 1HE PHE 16 -3.933 -4.414 -7.658 97 HZ PHE 16 HZ PHE 16 -6.000 -4.328 -8.993 98 H GLU 17 H GLU 17 -6.449 -9.048 -7.365 99 HA GLU 17 HA GLU 17 -3.749 -9.982 -8.086 100 HB2 GLU 17 1HB GLU 17 -6.457 -10.642 -9.205 101 HB3 GLU 17 2HB GLU 17 -5.011 -10.844 -10.184 102 HG2 GLU 17 1HG GLU 17 -4.106 -12.255 -8.274 103 HG3 GLU 17 2HG GLU 17 -5.753 -12.255 -7.645 104 HA PRO 18 HA PRO 18 -3.219 -6.314 -10.459 105 HB2 PRO 18 1HB PRO 18 -1.329 -7.196 -12.196 106 HB3 PRO 18 2HB PRO 18 -0.984 -6.844 -10.498 107 HG2 PRO 18 1HG PRO 18 -1.499 -9.481 -11.819 108 HG3 PRO 18 2HG PRO 18 -0.278 -9.057 -10.605 109 HD2 PRO 18 1HD PRO 18 -2.581 -10.333 -9.972 110 HD3 PRO 18 2HD PRO 18 -1.780 -9.203 -8.862 111 H GLU 19 H GLU 19 -4.137 -5.402 -12.215 112 HA GLU 19 HA GLU 19 -5.566 -7.152 -14.057 113 HB2 GLU 19 1HB GLU 19 -5.657 -4.153 -13.685 114 HB3 GLU 19 2HB GLU 19 -6.659 -5.054 -14.815 115 HG2 GLU 19 1HG GLU 19 -6.664 -5.426 -11.828 116 HG3 GLU 19 2HG GLU 19 -7.833 -4.469 -12.736 117 H ASN 20 H ASN 20 -3.084 -4.641 -14.089 118 HA ASN 20 HA ASN 20 -2.237 -5.587 -16.723 119 HB2 ASN 20 1HB ASN 20 -1.936 -3.237 -17.500 120 HB3 ASN 20 2HB ASN 20 -3.624 -3.676 -17.249 121 HD21 ASN 20 1HD2 ASN 20 -4.691 -2.007 -16.492 122 HD22 ASN 20 2HD2 ASN 20 -4.145 -0.914 -15.270 123 H GLU 21 H GLU 21 -0.117 -4.252 -17.311 124 HA GLU 21 HA GLU 21 1.869 -5.053 -15.549 125 HB2 GLU 21 1HB GLU 21 1.837 -3.021 -17.766 126 HB3 GLU 21 2HB GLU 21 3.293 -3.321 -16.828 127 HG2 GLU 21 1HG GLU 21 3.486 -5.512 -17.604 128 HG3 GLU 21 2HG GLU 21 1.817 -5.554 -18.171 129 H GLY 22 H GLY 22 -0.095 -2.210 -15.514 130 HA2 GLY 22 1HA GLY 22 1.664 -0.877 -13.589 131 HA3 GLY 22 2HA GLY 22 0.254 -0.170 -14.363 132 H GLU 23 H GLU 23 0.513 -3.253 -12.638 133 HA GLU 23 HA GLU 23 -1.114 -2.164 -10.463 134 HB2 GLU 23 1HB GLU 23 -1.839 -4.573 -12.132 135 HB3 GLU 23 2HB GLU 23 -2.566 -4.220 -10.571 136 HG2 GLU 23 1HG GLU 23 -2.614 -2.180 -12.751 137 HG3 GLU 23 2HG GLU 23 -3.779 -3.503 -12.734 138 H LEU 24 H LEU 24 -0.469 -2.857 -8.522 139 HA LEU 24 HA LEU 24 1.478 -5.057 -8.433 140 HB2 LEU 24 1HB LEU 24 2.287 -2.897 -7.635 141 HB3 LEU 24 2HB LEU 24 0.968 -2.827 -6.468 142 HG LEU 24 HG LEU 24 2.002 -5.008 -5.529 143 HD11 LEU 24 1HD1 LEU 24 4.569 -3.931 -6.567 144 HD12 LEU 24 2HD1 LEU 24 3.605 -4.964 -7.622 145 HD13 LEU 24 3HD1 LEU 24 4.149 -5.566 -6.056 146 HD21 LEU 24 1HD2 LEU 24 3.939 -3.079 -4.759 147 HD22 LEU 24 2HD2 LEU 24 2.500 -3.607 -3.886 148 HD23 LEU 24 3HD2 LEU 24 2.403 -2.250 -5.010 149 H GLY 25 H GLY 25 0.333 -6.890 -8.109 150 HA2 GLY 25 1HA GLY 25 -1.987 -7.008 -6.437 151 HA3 GLY 25 2HA GLY 25 -1.150 -8.377 -7.154 152 H PHE 26 H PHE 26 -2.226 -7.676 -4.371 153 HA PHE 26 HA PHE 26 0.233 -8.369 -2.902 154 HB2 PHE 26 1HB PHE 26 -0.931 -7.320 -0.904 155 HB3 PHE 26 2HB PHE 26 -0.404 -6.203 -2.159 156 HD1 PHE 26 1HD PHE 26 -3.419 -8.275 -1.401 157 HD2 PHE 26 2HD PHE 26 -1.865 -4.519 -2.662 158 HE1 PHE 26 1HE PHE 26 -5.707 -7.386 -1.561 159 HE2 PHE 26 2HE PHE 26 -4.150 -3.623 -2.823 160 HZ PHE 26 HZ PHE 26 -6.075 -5.057 -2.272 161 H LYS 27 H LYS 27 -0.373 -9.431 -0.709 162 HA LYS 27 HA LYS 27 -2.524 -11.392 -1.167 163 HB2 LYS 27 1HB LYS 27 0.326 -11.787 -0.420 164 HB3 LYS 27 2HB LYS 27 -0.858 -12.824 0.366 165 HG2 LYS 27 1HG LYS 27 -1.042 -12.547 -2.576 166 HG3 LYS 27 2HG LYS 27 0.317 -13.467 -1.926 167 HD2 LYS 27 1HD LYS 27 -1.210 -15.151 -2.083 168 HD3 LYS 27 2HD LYS 27 -1.622 -14.559 -0.471 169 HE2 LYS 27 1HE LYS 27 -3.637 -14.874 -1.771 170 HE3 LYS 27 2HE LYS 27 -3.385 -13.156 -1.466 171 HZ1 LYS 27 1HZ LYS 27 -3.391 -14.605 -3.966 172 HZ2 LYS 27 2HZ LYS 27 -2.124 -13.495 -3.810 173 HZ3 LYS 27 3HZ LYS 27 -3.727 -12.975 -3.657 174 H GLU 28 H GLU 28 -3.511 -12.276 0.738 175 HA GLU 28 HA GLU 28 -4.222 -10.403 2.654 176 HB2 GLU 28 1HB GLU 28 -5.537 -12.419 2.169 177 HB3 GLU 28 2HB GLU 28 -4.286 -13.416 2.898 178 HG2 GLU 28 1HG GLU 28 -4.689 -12.380 5.056 179 HG3 GLU 28 2HG GLU 28 -5.909 -11.329 4.338 180 H GLY 29 H GLY 29 -3.123 -9.528 4.273 181 HA2 GLY 29 1HA GLY 29 -1.817 -9.441 6.191 182 HA3 GLY 29 2HA GLY 29 -1.458 -11.149 5.989 183 H ASP 30 H ASP 30 -0.971 -8.891 3.385 184 HA ASP 30 HA ASP 30 1.926 -9.315 3.641 185 HB2 ASP 30 1HB ASP 30 0.162 -8.710 1.273 186 HB3 ASP 30 2HB ASP 30 1.913 -8.533 1.200 187 H ILE 31 H ILE 31 3.086 -7.683 4.393 188 HA ILE 31 HA ILE 31 1.970 -5.021 4.545 189 HB ILE 31 HB ILE 31 4.529 -6.248 5.539 190 HG12 ILE 31 1HG1 ILE 31 3.493 -5.289 7.716 191 HG13 ILE 31 2HG1 ILE 31 2.012 -5.161 6.773 192 HG21 ILE 31 1HG2 ILE 31 3.886 -3.397 5.114 193 HG22 ILE 31 2HG2 ILE 31 4.611 -3.818 6.664 194 HG23 ILE 31 3HG2 ILE 31 5.447 -4.215 5.163 195 HD11 ILE 31 1HD1 ILE 31 3.014 -7.399 8.141 196 HD12 ILE 31 2HD1 ILE 31 1.575 -7.295 7.126 197 HD13 ILE 31 3HD1 ILE 31 3.122 -7.762 6.419 198 H ILE 32 H ILE 32 2.309 -3.427 3.146 199 HA ILE 32 HA ILE 32 4.528 -3.704 1.225 200 HB ILE 32 HB ILE 32 1.848 -2.375 0.805 201 HG12 ILE 32 1HG1 ILE 32 1.957 -4.217 -1.115 202 HG13 ILE 32 2HG1 ILE 32 3.013 -5.014 0.047 203 HG21 ILE 32 1HG2 ILE 32 2.688 -1.296 -0.948 204 HG22 ILE 32 2HG2 ILE 32 4.292 -1.772 -0.393 205 HG23 ILE 32 3HG2 ILE 32 3.435 -2.768 -1.569 206 HD11 ILE 32 1HD1 ILE 32 0.122 -4.681 0.060 207 HD12 ILE 32 2HD1 ILE 32 1.137 -5.869 0.880 208 HD13 ILE 32 3HD1 ILE 32 0.886 -4.277 1.597 209 H THR 33 H THR 33 6.091 -2.276 1.532 210 HA THR 33 HA THR 33 6.141 -0.200 3.319 211 HB THR 33 HB THR 33 7.647 -0.173 0.699 212 HG1 THR 33 1HG THR 33 9.261 -1.237 2.233 213 HG21 THR 33 1HG2 THR 33 7.791 1.353 3.209 214 HG22 THR 33 2HG2 THR 33 8.353 1.774 1.591 215 HG23 THR 33 3HG2 THR 33 9.337 0.738 2.624 216 H LEU 34 H LEU 34 6.044 2.093 3.110 217 HA LEU 34 HA LEU 34 4.285 3.002 0.927 218 HB2 LEU 34 1HB LEU 34 4.385 3.855 3.812 219 HB3 LEU 34 2HB LEU 34 3.500 4.735 2.568 220 HG LEU 34 HG LEU 34 2.939 1.850 3.211 221 HD11 LEU 34 1HD1 LEU 34 1.736 2.375 5.011 222 HD12 LEU 34 2HD1 LEU 34 1.029 3.789 4.230 223 HD13 LEU 34 3HD1 LEU 34 2.607 3.909 5.008 224 HD21 LEU 34 1HD2 LEU 34 0.655 3.197 2.357 225 HD22 LEU 34 2HD2 LEU 34 1.627 2.055 1.429 226 HD23 LEU 34 3HD2 LEU 34 1.951 3.786 1.314 227 H THR 35 H THR 35 5.005 4.615 -0.307 228 HA THR 35 HA THR 35 7.322 6.168 0.650 229 HB THR 35 HB THR 35 7.983 6.398 -1.750 230 HG1 THR 35 1HG THR 35 6.265 4.211 -2.278 231 HG21 THR 35 1HG2 THR 35 8.411 3.719 -1.886 232 HG22 THR 35 2HG2 THR 35 8.054 3.917 -0.170 233 HG23 THR 35 3HG2 THR 35 9.370 4.830 -0.908 234 H ASN 36 H ASN 36 4.676 6.276 -1.744 235 HA ASN 36 HA ASN 36 3.936 8.925 -0.851 236 HB2 ASN 36 1HB ASN 36 5.348 8.433 -3.429 237 HB3 ASN 36 2HB ASN 36 4.023 9.594 -3.431 238 HD21 ASN 36 1HD2 ASN 36 7.277 9.064 -2.730 239 HD22 ASN 36 2HD2 ASN 36 7.614 10.574 -1.960 240 H GLN 37 H GLN 37 2.085 9.764 -2.341 241 HA GLN 37 HA GLN 37 0.398 7.485 -3.135 242 HB2 GLN 37 1HB GLN 37 -0.345 8.361 -0.969 243 HB3 GLN 37 2HB GLN 37 -0.482 9.972 -1.659 244 HG2 GLN 37 1HG GLN 37 -2.203 9.111 -3.213 245 HG3 GLN 37 2HG GLN 37 -2.114 7.554 -2.393 246 HE21 GLN 37 1HE2 GLN 37 -4.375 7.855 -1.965 247 HE22 GLN 37 2HE2 GLN 37 -4.878 8.836 -0.635 248 H ILE 38 H ILE 38 -0.791 7.710 -4.976 249 HA ILE 38 HA ILE 38 -0.334 10.179 -6.513 250 HB ILE 38 HB ILE 38 -0.915 7.381 -7.488 251 HG12 ILE 38 1HG1 ILE 38 1.389 8.041 -8.666 252 HG13 ILE 38 2HG1 ILE 38 1.531 9.062 -7.239 253 HG21 ILE 38 1HG2 ILE 38 -1.952 8.591 -9.122 254 HG22 ILE 38 2HG2 ILE 38 -0.949 10.016 -8.859 255 HG23 ILE 38 3HG2 ILE 38 -0.298 8.629 -9.732 256 HD11 ILE 38 1HD1 ILE 38 2.559 6.733 -7.154 257 HD12 ILE 38 2HD1 ILE 38 1.552 7.233 -5.795 258 HD13 ILE 38 3HD1 ILE 38 0.903 6.143 -7.020 259 H ASP 39 H ASP 39 -2.770 7.697 -5.802 260 HA ASP 39 HA ASP 39 -4.855 9.542 -6.745 261 HB2 ASP 39 1HB ASP 39 -4.576 7.037 -7.535 262 HB3 ASP 39 2HB ASP 39 -5.434 6.696 -6.035 263 H GLU 40 H GLU 40 -7.036 8.965 -5.461 264 HA GLU 40 HA GLU 40 -6.497 9.805 -2.747 265 HB2 GLU 40 1HB GLU 40 -8.312 10.811 -4.139 266 HB3 GLU 40 2HB GLU 40 -9.160 9.272 -4.073 267 HG2 GLU 40 1HG GLU 40 -10.203 10.367 -2.380 268 HG3 GLU 40 2HG GLU 40 -8.890 9.610 -1.481 269 H ASN 41 H ASN 41 -7.195 6.885 -4.393 270 HA ASN 41 HA ASN 41 -7.541 5.521 -1.808 271 HB2 ASN 41 1HB ASN 41 -9.166 5.293 -4.295 272 HB3 ASN 41 2HB ASN 41 -8.872 3.822 -3.372 273 HD21 ASN 41 1HD2 ASN 41 -8.983 4.572 -0.826 274 HD22 ASN 41 2HD2 ASN 41 -10.528 5.238 -0.434 275 H TRP 42 H TRP 42 -5.359 6.036 -3.987 276 HA TRP 42 HA TRP 42 -4.400 3.253 -4.008 277 HB2 TRP 42 1HB TRP 42 -4.053 5.267 -6.240 278 HB3 TRP 42 2HB TRP 42 -3.397 3.632 -6.214 279 HD1 TRP 42 HD TRP 42 -6.891 5.327 -6.095 280 HE1 TRP 42 1HE TRP 42 -8.544 3.813 -7.360 281 HE3 TRP 42 3HE TRP 42 -3.747 1.456 -7.220 282 HZ2 TRP 42 2HZ TRP 42 -8.518 1.309 -8.662 283 HZ3 TRP 42 3HZ TRP 42 -4.640 -0.461 -8.477 284 HH2 TRP 42 HH TRP 42 -6.977 -0.532 -9.182 285 H TYR 43 H TYR 43 -2.377 2.956 -3.282 286 HA TYR 43 HA TYR 43 -0.809 5.362 -2.639 287 HB2 TYR 43 1HB TYR 43 -1.152 2.721 -1.289 288 HB3 TYR 43 2HB TYR 43 0.387 3.557 -1.110 289 HD1 TYR 43 2HD TYR 43 -0.430 6.363 -0.951 290 HD2 TYR 43 1HD TYR 43 -2.224 2.906 0.763 291 HE1 TYR 43 2HE TYR 43 -1.391 7.754 0.835 292 HE2 TYR 43 1HE TYR 43 -3.190 4.288 2.554 293 HH TYR 43 HH TYR 43 -2.675 7.804 2.642 294 H GLU 44 H GLU 44 1.650 4.667 -2.378 295 HA GLU 44 HA GLU 44 2.429 3.047 -4.702 296 HB2 GLU 44 1HB GLU 44 2.458 5.585 -5.112 297 HB3 GLU 44 2HB GLU 44 3.832 5.620 -4.016 298 HG2 GLU 44 1HG GLU 44 4.880 3.870 -5.542 299 HG3 GLU 44 2HG GLU 44 3.615 4.293 -6.694 300 H GLY 45 H GLY 45 3.513 1.383 -3.869 301 HA2 GLY 45 1HA GLY 45 5.701 1.968 -1.994 302 HA3 GLY 45 2HA GLY 45 4.530 0.725 -1.578 303 H MET 46 H MET 46 6.779 -0.377 -1.523 304 HA MET 46 HA MET 46 7.257 -1.568 -4.176 305 HB2 MET 46 1HB MET 46 9.149 -0.613 -2.092 306 HB3 MET 46 2HB MET 46 9.587 -2.074 -2.966 307 HG2 MET 46 1HG MET 46 9.351 -0.858 -5.085 308 HG3 MET 46 2HG MET 46 8.968 0.607 -4.183 309 HE1 MET 46 1HE MET 46 12.258 1.693 -2.608 310 HE2 MET 46 2HE MET 46 10.710 2.231 -3.262 311 HE3 MET 46 3HE MET 46 10.751 1.067 -1.937 312 H LEU 47 H LEU 47 7.087 -3.723 -4.332 313 HA LEU 47 HA LEU 47 7.172 -5.342 -1.890 314 HB2 LEU 47 1HB LEU 47 4.833 -4.908 -2.261 315 HB3 LEU 47 2HB LEU 47 4.976 -5.380 -3.953 316 HG LEU 47 HG LEU 47 5.552 -7.699 -3.126 317 HD11 LEU 47 1HD1 LEU 47 4.988 -6.331 -0.554 318 HD12 LEU 47 2HD1 LEU 47 6.135 -7.617 -0.928 319 HD13 LEU 47 3HD1 LEU 47 4.420 -7.989 -0.752 320 HD21 LEU 47 1HD2 LEU 47 3.451 -7.771 -3.930 321 HD22 LEU 47 2HD2 LEU 47 2.947 -6.332 -3.043 322 HD23 LEU 47 3HD2 LEU 47 3.012 -7.894 -2.225 323 H HIS 48 H HIS 48 8.675 -6.838 -2.183 324 HA HIS 48 HA HIS 48 10.052 -8.371 -3.149 325 HB2 HIS 48 1HB HIS 48 7.532 -8.740 -4.758 326 HB3 HIS 48 2HB HIS 48 8.963 -9.726 -5.042 327 HD1 HIS 48 1HD HIS 48 9.820 -10.259 -2.142 328 HD2 HIS 48 2HD HIS 48 5.899 -10.510 -3.494 329 HE1 HIS 48 1HE HIS 48 8.646 -11.783 -0.522 330 HE2 HIS 48 2HE HIS 48 6.297 -11.988 -1.409 331 H GLY 49 H GLY 49 10.457 -5.727 -3.970 332 HA2 GLY 49 1HA GLY 49 11.802 -4.644 -5.498 333 HA3 GLY 49 2HA GLY 49 11.965 -6.167 -6.358 334 H HIS 50 H HIS 50 8.786 -4.989 -5.718 335 HA HIS 50 HA HIS 50 8.558 -4.122 -8.526 336 HB2 HIS 50 1HB HIS 50 6.457 -5.532 -6.867 337 HB3 HIS 50 2HB HIS 50 6.269 -5.001 -8.535 338 HD1 HIS 50 1HD HIS 50 8.590 -6.080 -9.979 339 HD2 HIS 50 2HD HIS 50 6.782 -8.204 -6.900 340 HE1 HIS 50 1HE HIS 50 9.220 -8.485 -10.361 341 HE2 HIS 50 2HE HIS 50 8.044 -9.761 -8.534 342 H SER 51 H SER 51 8.004 -2.068 -8.769 343 HA SER 51 HA SER 51 6.734 -0.678 -6.511 344 HB2 SER 51 1HB SER 51 9.011 0.048 -7.622 345 HB3 SER 51 2HB SER 51 7.952 0.779 -8.828 346 HG SER 51 HG SER 51 7.992 1.288 -6.037 347 H GLY 52 H GLY 52 4.591 -0.609 -6.732 348 HA2 GLY 52 1HA GLY 52 3.494 0.504 -9.202 349 HA3 GLY 52 2HA GLY 52 2.911 -1.081 -8.715 350 H PHE 53 H PHE 53 0.934 0.515 -8.902 351 HA PHE 53 HA PHE 53 0.489 1.813 -6.306 352 HB2 PHE 53 1HB PHE 53 -1.363 2.067 -8.655 353 HB3 PHE 53 2HB PHE 53 -1.101 3.190 -7.325 354 HD1 PHE 53 2HD PHE 53 1.566 3.879 -7.208 355 HD2 PHE 53 1HD PHE 53 -0.669 2.851 -10.682 356 HE1 PHE 53 2HE PHE 53 3.145 5.155 -8.597 357 HE2 PHE 53 1HE PHE 53 0.908 4.125 -12.077 358 HZ PHE 53 HZ PHE 53 2.817 5.280 -11.035 359 H PHE 54 H PHE 54 -1.006 1.086 -4.906 360 HA PHE 54 HA PHE 54 -2.854 -1.016 -5.802 361 HB2 PHE 54 1HB PHE 54 -2.471 -2.151 -3.584 362 HB3 PHE 54 2HB PHE 54 -1.106 -2.214 -4.693 363 HD1 PHE 54 1HD PHE 54 0.839 -0.703 -4.328 364 HD2 PHE 54 2HD PHE 54 -2.295 -1.112 -1.477 365 HE1 PHE 54 1HE PHE 54 2.293 0.269 -2.596 366 HE2 PHE 54 2HE PHE 54 -0.847 -0.140 0.259 367 HZ PHE 54 HZ PHE 54 1.450 0.552 -0.300 368 HA PRO 55 HA PRO 55 -5.987 1.219 -3.692 369 HB2 PRO 55 1HB PRO 55 -7.622 -0.792 -2.885 370 HB3 PRO 55 2HB PRO 55 -7.486 -0.283 -4.572 371 HG2 PRO 55 1HG PRO 55 -6.187 -2.593 -3.180 372 HG3 PRO 55 2HG PRO 55 -6.944 -2.535 -4.783 373 HD2 PRO 55 1HD PRO 55 -4.261 -2.423 -4.433 374 HD3 PRO 55 2HD PRO 55 -5.086 -1.586 -5.764 375 H ILE 56 H ILE 56 -6.714 1.834 -1.652 376 HA ILE 56 HA ILE 56 -5.127 0.790 0.570 377 HB ILE 56 HB ILE 56 -6.954 3.161 0.768 378 HG12 ILE 56 1HG1 ILE 56 -4.088 3.318 -0.167 379 HG13 ILE 56 2HG1 ILE 56 -5.453 3.328 -1.278 380 HG21 ILE 56 1HG2 ILE 56 -5.828 2.141 2.770 381 HG22 ILE 56 2HG2 ILE 56 -4.290 2.638 2.066 382 HG23 ILE 56 3HG2 ILE 56 -5.491 3.852 2.507 383 HD11 ILE 56 1HD1 ILE 56 -4.511 5.417 0.596 384 HD12 ILE 56 2HD1 ILE 56 -5.135 5.560 -1.048 385 HD13 ILE 56 3HD1 ILE 56 -6.245 5.297 0.297 386 H ASN 57 H ASN 57 -8.302 0.690 -0.691 387 HA ASN 57 HA ASN 57 -9.714 0.266 1.746 388 HB2 ASN 57 1HB ASN 57 -10.388 -0.322 -1.138 389 HB3 ASN 57 2HB ASN 57 -11.496 -0.660 0.188 390 HD21 ASN 57 1HD2 ASN 57 -12.663 0.885 -1.389 391 HD22 ASN 57 2HD2 ASN 57 -12.584 2.559 -0.967 392 H TYR 58 H TYR 58 -7.375 -1.543 0.399 393 HA TYR 58 HA TYR 58 -8.565 -4.078 1.318 394 HB2 TYR 58 1HB TYR 58 -6.755 -3.444 -0.970 395 HB3 TYR 58 2HB TYR 58 -6.583 -5.006 -0.177 396 HD1 TYR 58 2HD TYR 58 -9.131 -6.015 0.353 397 HD2 TYR 58 1HD TYR 58 -7.963 -3.563 -2.921 398 HE1 TYR 58 2HE TYR 58 -11.008 -6.897 -0.969 399 HE2 TYR 58 1HE TYR 58 -9.837 -4.437 -4.252 400 HH TYR 58 HH TYR 58 -11.282 -6.418 -4.319 401 H VAL 59 H VAL 59 -5.920 -1.858 1.566 402 HA VAL 59 HA VAL 59 -4.568 -3.657 3.469 403 HB VAL 59 HB VAL 59 -2.517 -2.640 3.001 404 HG11 VAL 59 1HG1 VAL 59 -2.401 -3.695 1.052 405 HG12 VAL 59 2HG1 VAL 59 -4.139 -3.510 0.813 406 HG13 VAL 59 3HG1 VAL 59 -3.033 -2.253 0.258 407 HG21 VAL 59 1HG2 VAL 59 -2.957 -0.347 3.176 408 HG22 VAL 59 2HG2 VAL 59 -2.424 -0.561 1.509 409 HG23 VAL 59 3HG2 VAL 59 -4.141 -0.383 1.869 410 H GLU 60 H GLU 60 -4.410 -3.079 5.550 411 HA GLU 60 HA GLU 60 -5.769 -0.691 6.431 412 HB2 GLU 60 1HB GLU 60 -6.013 -2.850 7.621 413 HB3 GLU 60 2HB GLU 60 -4.308 -2.788 8.046 414 HG2 GLU 60 1HG GLU 60 -4.617 -0.962 9.482 415 HG3 GLU 60 2HG GLU 60 -6.214 -0.609 8.824 416 H ILE 61 H ILE 61 -4.884 1.091 7.390 417 HA ILE 61 HA ILE 61 -2.007 1.444 7.005 418 HB ILE 61 HB ILE 61 -4.061 3.534 7.730 419 HG12 ILE 61 1HG1 ILE 61 -4.536 2.457 5.542 420 HG13 ILE 61 2HG1 ILE 61 -4.087 4.152 5.382 421 HG21 ILE 61 1HG2 ILE 61 -2.090 4.544 8.264 422 HG22 ILE 61 2HG2 ILE 61 -1.156 3.571 7.130 423 HG23 ILE 61 3HG2 ILE 61 -2.136 4.913 6.541 424 HD11 ILE 61 1HD1 ILE 61 -1.941 3.597 4.570 425 HD12 ILE 61 2HD1 ILE 61 -2.135 1.901 5.015 426 HD13 ILE 61 3HD1 ILE 61 -3.090 2.582 3.699 427 H LEU 62 H LEU 62 -0.738 1.011 8.677 428 HA LEU 62 HA LEU 62 -1.772 1.278 11.397 429 HB2 LEU 62 1HB LEU 62 0.909 0.201 10.564 430 HB3 LEU 62 2HB LEU 62 0.075 -0.039 12.097 431 HG LEU 62 HG LEU 62 -1.077 -1.094 9.538 432 HD11 LEU 62 1HD1 LEU 62 1.431 -1.834 10.514 433 HD12 LEU 62 2HD1 LEU 62 0.441 -2.698 9.339 434 HD13 LEU 62 3HD1 LEU 62 0.324 -3.097 11.053 435 HD21 LEU 62 1HD2 LEU 62 -2.684 -1.553 11.029 436 HD22 LEU 62 2HD2 LEU 62 -1.613 -1.300 12.408 437 HD23 LEU 62 3HD2 LEU 62 -1.609 -2.847 11.559 438 H VAL 63 H VAL 63 0.817 2.487 9.322 439 HA VAL 63 HA VAL 63 1.399 4.538 11.360 440 HB VAL 63 HB VAL 63 3.244 3.375 9.270 441 HG11 VAL 63 1HG1 VAL 63 4.392 5.274 9.359 442 HG12 VAL 63 2HG1 VAL 63 3.281 5.936 10.560 443 HG13 VAL 63 3HG1 VAL 63 4.673 4.982 11.075 444 HG21 VAL 63 1HG2 VAL 63 4.463 2.429 11.064 445 HG22 VAL 63 2HG2 VAL 63 3.550 3.343 12.264 446 HG23 VAL 63 3HG2 VAL 63 2.769 2.042 11.366 447 H ALA 64 H ALA 64 0.410 6.367 10.802 448 HA ALA 64 HA ALA 64 -0.394 7.046 8.188 449 HB1 ALA 64 1HB ALA 64 -1.480 8.724 9.188 450 HB2 ALA 64 2HB ALA 64 -0.940 7.991 10.699 451 HB3 ALA 64 3HB ALA 64 -0.022 9.316 9.984 452 H LEU 65 H LEU 65 0.771 7.762 6.537 453 HA LEU 65 HA LEU 65 3.484 8.163 6.500 454 HB2 LEU 65 1HB LEU 65 1.313 9.284 4.753 455 HB3 LEU 65 2HB LEU 65 3.020 9.578 4.428 456 HG LEU 65 HG LEU 65 2.034 6.770 4.697 457 HD11 LEU 65 1HD1 LEU 65 1.242 6.647 2.525 458 HD12 LEU 65 2HD1 LEU 65 2.008 8.162 2.050 459 HD13 LEU 65 3HD1 LEU 65 0.583 8.183 3.089 460 HD21 LEU 65 1HD2 LEU 65 4.277 6.646 4.418 461 HD22 LEU 65 2HD2 LEU 65 4.375 8.205 3.598 462 HD23 LEU 65 3HD2 LEU 65 3.831 6.776 2.717 463 HA PRO 66 HA PRO 66 4.350 12.059 8.331 464 HB2 PRO 66 1HB PRO 66 6.490 12.854 6.861 465 HB3 PRO 66 2HB PRO 66 6.575 11.554 8.056 466 HG2 PRO 66 1HG PRO 66 6.302 11.377 5.080 467 HG3 PRO 66 2HG PRO 66 7.323 10.420 6.169 468 HD2 PRO 66 1HD PRO 66 4.972 9.499 5.192 469 HD3 PRO 66 2HD PRO 66 5.583 9.044 6.795 470 H HIS 67 H HIS 67 3.422 13.996 8.143 471 HA HIS 67 HA HIS 67 2.215 14.843 5.708 472 HB2 HIS 67 1HB HIS 67 2.617 16.315 8.320 473 HB3 HIS 67 2HB HIS 67 1.604 16.879 6.994 474 HD1 HIS 67 1HD HIS 67 -0.744 15.995 6.890 475 HD2 HIS 67 2HD HIS 67 1.626 13.920 9.599 476 HE1 HIS 67 1HE HIS 67 -2.316 14.478 8.135 477 HE2 HIS 67 2HE HIS 67 -0.873 13.294 9.826 478 H SER 68 H SER 68 3.164 15.842 4.072 479 HA SER 68 HA SER 68 5.510 17.539 4.627 480 HB2 SER 68 1HB SER 68 6.047 15.394 3.429 481 HB3 SER 68 2HB SER 68 5.039 15.952 2.094 482 HG SER 68 HG SER 68 6.583 17.939 2.471 483 H GLY 69 H GLY 69 5.459 19.574 3.875 484 HA2 GLY 69 1HA GLY 69 4.894 21.219 2.230 485 HA3 GLY 69 2HA GLY 69 3.481 20.262 1.810 486 HA PRO 70 HA PRO 70 2.568 22.639 5.955 487 HB2 PRO 70 1HB PRO 70 4.131 24.820 6.373 488 HB3 PRO 70 2HB PRO 70 4.527 23.218 7.007 489 HG2 PRO 70 1HG PRO 70 5.578 24.605 4.571 490 HG3 PRO 70 2HG PRO 70 6.457 23.661 5.787 491 HD2 PRO 70 1HD PRO 70 5.756 22.641 3.379 492 HD3 PRO 70 2HD PRO 70 5.848 21.647 4.848 493 H SER 71 H SER 71 0.842 23.084 4.439 494 HA SER 71 HA SER 71 0.336 25.860 4.137 495 HB2 SER 71 1HB SER 71 1.781 25.745 2.220 496 HB3 SER 71 2HB SER 71 0.983 24.285 1.637 497 HG SER 71 HG SER 71 0.382 26.771 1.049 498 H SER 72 H SER 72 -1.806 26.299 3.348 499 HA SER 72 HA SER 72 -3.585 24.001 3.718 500 HB2 SER 72 1HB SER 72 -4.252 26.954 3.717 501 HB3 SER 72 2HB SER 72 -5.339 25.638 4.160 502 HG SER 72 HG SER 72 -2.907 25.798 5.507 503 H GLY 73 H GLY 73 -5.592 23.954 2.388 504 HA2 GLY 73 1HA GLY 73 -6.520 23.646 0.307 505 HA3 GLY 73 2HA GLY 73 -6.017 25.306 0.025 Start of MODEL 10 1 H1 GLY 1 H GLY 1 3.099 -2.410 20.106 2 HA2 GLY 1 1HA GLY 1 3.663 -5.138 19.745 3 HA3 GLY 1 2HA GLY 1 2.538 -4.195 18.778 4 H SER 2 H SER 2 6.025 -3.713 19.114 5 HA SER 2 HA SER 2 6.611 -4.896 16.561 6 HB2 SER 2 1HB SER 2 6.885 -1.893 16.826 7 HB3 SER 2 2HB SER 2 7.312 -2.869 15.421 8 HG SER 2 HG SER 2 5.338 -2.467 14.826 9 H SER 3 H SER 3 8.839 -5.085 16.161 10 HA SER 3 HA SER 3 10.486 -4.679 18.548 11 HB2 SER 3 1HB SER 3 10.845 -6.438 16.115 12 HB3 SER 3 2HB SER 3 12.072 -6.253 17.369 13 HG SER 3 HG SER 3 9.773 -6.783 18.569 14 H GLY 4 H GLY 4 10.821 -2.421 18.211 15 HA2 GLY 4 1HA GLY 4 12.582 -0.918 17.700 16 HA3 GLY 4 2HA GLY 4 12.993 -1.912 16.311 17 H SER 5 H SER 5 12.784 -0.688 14.557 18 HA SER 5 HA SER 5 10.195 0.434 13.924 19 HB2 SER 5 1HB SER 5 11.036 2.697 13.481 20 HB3 SER 5 2HB SER 5 11.255 2.271 15.179 21 HG SER 5 HG SER 5 13.353 1.696 13.443 22 H SER 6 H SER 6 9.897 0.810 11.718 23 HA SER 6 HA SER 6 12.140 0.091 9.958 24 HB2 SER 6 1HB SER 6 10.598 -1.867 10.327 25 HB3 SER 6 2HB SER 6 9.316 -0.922 9.570 26 HG SER 6 HG SER 6 10.497 -0.890 7.670 27 H GLY 7 H GLY 7 8.874 1.470 10.163 28 HA2 GLY 7 1HA GLY 7 9.042 3.885 9.207 29 HA3 GLY 7 2HA GLY 7 9.402 3.016 7.723 30 HA PRO 8 HA PRO 8 4.787 3.699 8.130 31 HB2 PRO 8 1HB PRO 8 4.491 4.995 5.763 32 HB3 PRO 8 2HB PRO 8 4.871 5.829 7.274 33 HG2 PRO 8 1HG PRO 8 6.701 5.006 5.053 34 HG3 PRO 8 2HG PRO 8 6.661 6.527 5.965 35 HD2 PRO 8 1HD PRO 8 8.444 4.558 6.491 36 HD3 PRO 8 2HD PRO 8 7.804 5.630 7.754 37 H CYS 9 H CYS 9 3.907 1.766 7.710 38 HA CYS 9 HA CYS 9 3.973 0.786 4.951 39 HB2 CYS 9 1HB CYS 9 4.609 -0.871 7.399 40 HB3 CYS 9 2HB CYS 9 4.271 -1.550 5.811 41 HG CYS 9 HG CYS 9 6.665 0.751 5.688 42 H CYS 10 H CYS 10 2.361 -1.088 4.705 43 HA CYS 10 HA CYS 10 0.004 -0.616 6.402 44 HB2 CYS 10 1HB CYS 10 -1.439 -0.704 4.453 45 HB3 CYS 10 2HB CYS 10 -0.232 0.557 4.231 46 HG CYS 10 HG CYS 10 -0.988 -1.253 1.937 47 H ARG 11 H ARG 11 -1.676 -2.382 6.080 48 HA ARG 11 HA ARG 11 -0.319 -4.981 5.774 49 HB2 ARG 11 1HB ARG 11 -0.889 -4.431 8.128 50 HB3 ARG 11 2HB ARG 11 -2.582 -4.318 7.665 51 HG2 ARG 11 1HG ARG 11 -2.785 -6.596 7.347 52 HG3 ARG 11 2HG ARG 11 -1.050 -6.823 7.122 53 HD2 ARG 11 1HD ARG 11 -0.630 -6.513 9.446 54 HD3 ARG 11 2HD ARG 11 -2.284 -5.974 9.733 55 HE ARG 11 HE ARG 11 -2.649 -8.461 8.785 56 HH11 ARG 11 2HH1 ARG 11 -0.576 -7.181 11.272 57 HH12 ARG 11 1HH1 ARG 11 -0.594 -8.633 12.217 58 HH21 ARG 11 2HH2 ARG 11 -2.680 -10.379 10.020 59 HH22 ARG 11 1HH2 ARG 11 -1.790 -10.452 11.503 60 H ALA 12 H ALA 12 -1.301 -6.524 4.566 61 HA ALA 12 HA ALA 12 -3.531 -5.689 2.922 62 HB1 ALA 12 1HB ALA 12 -2.039 -8.307 2.871 63 HB2 ALA 12 2HB ALA 12 -3.092 -7.655 1.615 64 HB3 ALA 12 3HB ALA 12 -1.558 -6.864 1.977 65 H LEU 13 H LEU 13 -5.589 -6.141 3.325 66 HA LEU 13 HA LEU 13 -6.268 -7.949 5.490 67 HB2 LEU 13 1HB LEU 13 -8.020 -6.216 3.753 68 HB3 LEU 13 2HB LEU 13 -8.553 -7.116 5.172 69 HG LEU 13 HG LEU 13 -6.474 -4.942 5.305 70 HD11 LEU 13 1HD1 LEU 13 -8.576 -3.731 6.350 71 HD12 LEU 13 2HD1 LEU 13 -9.437 -4.773 5.219 72 HD13 LEU 13 3HD1 LEU 13 -8.219 -3.645 4.625 73 HD21 LEU 13 1HD2 LEU 13 -6.287 -6.076 7.278 74 HD22 LEU 13 2HD2 LEU 13 -7.964 -6.622 7.254 75 HD23 LEU 13 3HD2 LEU 13 -7.584 -4.958 7.700 76 H TYR 14 H TYR 14 -6.682 -7.713 2.000 77 HA TYR 14 HA TYR 14 -7.521 -10.530 1.985 78 HB2 TYR 14 1HB TYR 14 -8.741 -8.256 0.417 79 HB3 TYR 14 2HB TYR 14 -8.997 -9.950 0.013 80 HD1 TYR 14 1HD TYR 14 -9.479 -7.437 2.703 81 HD2 TYR 14 2HD TYR 14 -10.637 -11.215 1.126 82 HE1 TYR 14 1HE TYR 14 -11.339 -7.531 4.310 83 HE2 TYR 14 2HE TYR 14 -12.501 -11.319 2.727 84 HH TYR 14 HH TYR 14 -13.904 -9.352 4.049 85 H ASP 15 H ASP 15 -7.512 -11.238 -0.508 86 HA ASP 15 HA ASP 15 -4.790 -10.659 -1.422 87 HB2 ASP 15 1HB ASP 15 -6.650 -12.875 -2.306 88 HB3 ASP 15 2HB ASP 15 -4.935 -12.726 -2.682 89 H PHE 16 H PHE 16 -4.369 -9.635 -3.283 90 HA PHE 16 HA PHE 16 -6.625 -9.098 -5.101 91 HB2 PHE 16 1HB PHE 16 -6.137 -7.047 -3.955 92 HB3 PHE 16 2HB PHE 16 -4.409 -7.240 -4.230 93 HD1 PHE 16 2HD PHE 16 -7.582 -7.015 -6.180 94 HD2 PHE 16 1HD PHE 16 -3.450 -6.024 -5.920 95 HE1 PHE 16 2HE PHE 16 -7.770 -5.704 -8.253 96 HE2 PHE 16 1HE PHE 16 -3.632 -4.710 -7.993 97 HZ PHE 16 HZ PHE 16 -5.793 -4.550 -9.162 98 H GLU 17 H GLU 17 -5.935 -8.538 -7.336 99 HA GLU 17 HA GLU 17 -3.397 -9.812 -8.091 100 HB2 GLU 17 1HB GLU 17 -6.091 -10.304 -9.368 101 HB3 GLU 17 2HB GLU 17 -4.559 -10.838 -10.046 102 HG2 GLU 17 1HG GLU 17 -5.617 -12.667 -8.910 103 HG3 GLU 17 2HG GLU 17 -4.165 -12.191 -8.030 104 HA PRO 18 HA PRO 18 -2.817 -6.203 -10.541 105 HB2 PRO 18 1HB PRO 18 -1.017 -7.174 -12.326 106 HB3 PRO 18 2HB PRO 18 -0.604 -6.813 -10.646 107 HG2 PRO 18 1HG PRO 18 -1.255 -9.446 -11.913 108 HG3 PRO 18 2HG PRO 18 0.020 -9.051 -10.745 109 HD2 PRO 18 1HD PRO 18 -2.305 -10.236 -10.020 110 HD3 PRO 18 2HD PRO 18 -1.427 -9.122 -8.953 111 H GLU 19 H GLU 19 -4.041 -5.342 -12.091 112 HA GLU 19 HA GLU 19 -5.212 -7.118 -14.111 113 HB2 GLU 19 1HB GLU 19 -6.024 -4.351 -13.204 114 HB3 GLU 19 2HB GLU 19 -6.829 -5.262 -14.475 115 HG2 GLU 19 1HG GLU 19 -6.674 -5.940 -11.552 116 HG3 GLU 19 2HG GLU 19 -8.103 -5.494 -12.483 117 H ASN 20 H ASN 20 -3.316 -4.190 -13.716 118 HA ASN 20 HA ASN 20 -2.535 -4.374 -16.529 119 HB2 ASN 20 1HB ASN 20 -2.648 -1.800 -16.587 120 HB3 ASN 20 2HB ASN 20 -4.160 -2.690 -16.735 121 HD21 ASN 20 1HD2 ASN 20 -2.765 -0.119 -15.310 122 HD22 ASN 20 2HD2 ASN 20 -3.778 0.043 -13.919 123 H GLU 21 H GLU 21 -0.546 -3.212 -17.014 124 HA GLU 21 HA GLU 21 1.597 -3.773 -15.526 125 HB2 GLU 21 1HB GLU 21 1.101 -1.318 -17.197 126 HB3 GLU 21 2HB GLU 21 2.664 -1.633 -16.457 127 HG2 GLU 21 1HG GLU 21 2.940 -2.502 -18.565 128 HG3 GLU 21 2HG GLU 21 2.487 -3.929 -17.634 129 H GLY 22 H GLY 22 -0.356 -0.835 -15.109 130 HA2 GLY 22 1HA GLY 22 1.216 0.044 -12.851 131 HA3 GLY 22 2HA GLY 22 -0.245 0.803 -13.468 132 H GLU 23 H GLU 23 0.516 -2.412 -12.121 133 HA GLU 23 HA GLU 23 -1.277 -1.916 -9.890 134 HB2 GLU 23 1HB GLU 23 -1.790 -4.045 -11.966 135 HB3 GLU 23 2HB GLU 23 -2.497 -4.087 -10.357 136 HG2 GLU 23 1HG GLU 23 -2.846 -1.748 -12.201 137 HG3 GLU 23 2HG GLU 23 -3.925 -3.142 -12.222 138 H LEU 24 H LEU 24 -0.567 -2.882 -8.089 139 HA LEU 24 HA LEU 24 1.508 -4.953 -8.375 140 HB2 LEU 24 1HB LEU 24 2.447 -2.964 -7.440 141 HB3 LEU 24 2HB LEU 24 1.131 -2.830 -6.275 142 HG LEU 24 HG LEU 24 2.059 -5.144 -5.442 143 HD11 LEU 24 1HD1 LEU 24 3.724 -5.115 -7.397 144 HD12 LEU 24 2HD1 LEU 24 4.322 -5.556 -5.798 145 HD13 LEU 24 3HD1 LEU 24 4.616 -3.937 -6.434 146 HD21 LEU 24 1HD2 LEU 24 2.868 -4.001 -3.671 147 HD22 LEU 24 2HD2 LEU 24 2.126 -2.631 -4.496 148 HD23 LEU 24 3HD2 LEU 24 3.855 -2.934 -4.670 149 H GLY 25 H GLY 25 0.405 -6.830 -8.148 150 HA2 GLY 25 1HA GLY 25 -1.825 -7.224 -6.472 151 HA3 GLY 25 2HA GLY 25 -0.820 -8.495 -7.152 152 H PHE 26 H PHE 26 -2.064 -7.864 -4.404 153 HA PHE 26 HA PHE 26 0.389 -8.395 -2.861 154 HB2 PHE 26 1HB PHE 26 -0.808 -7.307 -0.920 155 HB3 PHE 26 2HB PHE 26 -0.343 -6.214 -2.220 156 HD1 PHE 26 1HD PHE 26 -3.253 -8.411 -1.406 157 HD2 PHE 26 2HD PHE 26 -1.883 -4.604 -2.728 158 HE1 PHE 26 1HE PHE 26 -5.582 -7.636 -1.578 159 HE2 PHE 26 2HE PHE 26 -4.209 -3.823 -2.902 160 HZ PHE 26 HZ PHE 26 -6.063 -5.339 -2.326 161 H LYS 27 H LYS 27 -0.299 -9.351 -0.607 162 HA LYS 27 HA LYS 27 -2.501 -11.256 -0.914 163 HB2 LYS 27 1HB LYS 27 0.396 -11.919 -0.608 164 HB3 LYS 27 2HB LYS 27 -0.791 -12.950 0.180 165 HG2 LYS 27 1HG LYS 27 -0.616 -14.039 -1.801 166 HG3 LYS 27 2HG LYS 27 -1.895 -12.899 -2.223 167 HD2 LYS 27 1HD LYS 27 -0.494 -12.576 -3.999 168 HD3 LYS 27 2HD LYS 27 0.171 -11.382 -2.882 169 HE2 LYS 27 1HE LYS 27 1.652 -13.415 -2.113 170 HE3 LYS 27 2HE LYS 27 1.265 -14.025 -3.722 171 HZ1 LYS 27 1HZ LYS 27 3.274 -12.297 -3.114 172 HZ2 LYS 27 2HZ LYS 27 2.080 -11.278 -3.742 173 HZ3 LYS 27 3HZ LYS 27 2.650 -12.578 -4.661 174 H GLU 28 H GLU 28 -3.711 -11.302 0.859 175 HA GLU 28 HA GLU 28 -3.591 -9.761 3.029 176 HB2 GLU 28 1HB GLU 28 -5.450 -11.257 2.691 177 HB3 GLU 28 2HB GLU 28 -4.432 -12.661 2.975 178 HG2 GLU 28 1HG GLU 28 -4.092 -11.891 5.300 179 HG3 GLU 28 2HG GLU 28 -5.222 -10.574 4.993 180 H GLY 29 H GLY 29 -2.427 -9.495 4.844 181 HA2 GLY 29 1HA GLY 29 -1.093 -10.218 6.663 182 HA3 GLY 29 2HA GLY 29 -0.658 -11.651 5.742 183 H ASP 30 H ASP 30 0.064 -10.267 3.334 184 HA ASP 30 HA ASP 30 2.773 -9.697 3.932 185 HB2 ASP 30 1HB ASP 30 1.085 -9.456 1.457 186 HB3 ASP 30 2HB ASP 30 2.740 -8.854 1.479 187 H ILE 31 H ILE 31 3.757 -7.850 4.449 188 HA ILE 31 HA ILE 31 2.147 -5.431 4.651 189 HB ILE 31 HB ILE 31 4.984 -5.888 5.578 190 HG12 ILE 31 1HG1 ILE 31 3.467 -7.427 6.711 191 HG13 ILE 31 2HG1 ILE 31 3.991 -6.169 7.824 192 HG21 ILE 31 1HG2 ILE 31 3.507 -3.922 7.049 193 HG22 ILE 31 2HG2 ILE 31 5.012 -3.744 6.149 194 HG23 ILE 31 3HG2 ILE 31 3.465 -3.539 5.328 195 HD11 ILE 31 1HD1 ILE 31 1.363 -6.170 6.362 196 HD12 ILE 31 2HD1 ILE 31 1.600 -6.721 8.021 197 HD13 ILE 31 3HD1 ILE 31 1.887 -5.032 7.603 198 H ILE 32 H ILE 32 2.167 -3.937 3.118 199 HA ILE 32 HA ILE 32 4.368 -3.907 1.183 200 HB ILE 32 HB ILE 32 1.675 -2.546 1.039 201 HG12 ILE 32 1HG1 ILE 32 1.551 -4.339 -0.916 202 HG13 ILE 32 2HG1 ILE 32 2.698 -5.192 0.110 203 HG21 ILE 32 1HG2 ILE 32 2.395 -1.448 -0.754 204 HG22 ILE 32 2HG2 ILE 32 4.025 -1.982 -0.349 205 HG23 ILE 32 3HG2 ILE 32 3.042 -2.924 -1.469 206 HD11 ILE 32 1HD1 ILE 32 1.161 -5.515 1.785 207 HD12 ILE 32 2HD1 ILE 32 0.168 -4.146 1.283 208 HD13 ILE 32 3HD1 ILE 32 0.155 -5.638 0.342 209 H THR 33 H THR 33 5.904 -2.428 1.355 210 HA THR 33 HA THR 33 5.979 -0.426 3.296 211 HB THR 33 HB THR 33 7.528 -0.397 0.701 212 HG1 THR 33 1HG THR 33 8.295 -2.228 1.449 213 HG21 THR 33 1HG2 THR 33 8.107 0.748 3.436 214 HG22 THR 33 2HG2 THR 33 7.738 1.658 1.971 215 HG23 THR 33 3HG2 THR 33 9.237 0.737 2.083 216 H LEU 34 H LEU 34 6.118 1.921 2.962 217 HA LEU 34 HA LEU 34 4.328 2.854 0.817 218 HB2 LEU 34 1HB LEU 34 4.459 3.865 3.653 219 HB3 LEU 34 2HB LEU 34 3.450 4.532 2.371 220 HG LEU 34 HG LEU 34 3.169 1.699 3.346 221 HD11 LEU 34 1HD1 LEU 34 2.264 4.220 4.570 222 HD12 LEU 34 2HD1 LEU 34 2.533 2.635 5.293 223 HD13 LEU 34 3HD1 LEU 34 1.042 2.958 4.409 224 HD21 LEU 34 1HD2 LEU 34 2.029 3.213 1.228 225 HD22 LEU 34 2HD2 LEU 34 0.768 2.884 2.417 226 HD23 LEU 34 3HD2 LEU 34 1.682 1.552 1.708 227 H THR 35 H THR 35 5.040 4.516 -0.372 228 HA THR 35 HA THR 35 7.394 6.002 0.597 229 HB THR 35 HB THR 35 8.146 6.177 -1.767 230 HG1 THR 35 1HG THR 35 5.821 4.661 -2.136 231 HG21 THR 35 1HG2 THR 35 8.417 3.454 -1.873 232 HG22 THR 35 2HG2 THR 35 8.090 3.729 -0.162 233 HG23 THR 35 3HG2 THR 35 9.447 4.541 -0.942 234 H ASN 36 H ASN 36 4.645 6.077 -1.657 235 HA ASN 36 HA ASN 36 4.020 8.777 -0.896 236 HB2 ASN 36 1HB ASN 36 5.888 8.794 -2.751 237 HB3 ASN 36 2HB ASN 36 4.538 8.444 -3.827 238 HD21 ASN 36 1HD2 ASN 36 3.190 10.043 -4.404 239 HD22 ASN 36 2HD2 ASN 36 3.310 11.674 -3.847 240 H GLN 37 H GLN 37 2.155 9.608 -2.361 241 HA GLN 37 HA GLN 37 0.412 7.341 -3.063 242 HB2 GLN 37 1HB GLN 37 -0.420 8.151 -0.990 243 HB3 GLN 37 2HB GLN 37 -0.251 9.827 -1.495 244 HG2 GLN 37 1HG GLN 37 -1.988 9.312 -3.270 245 HG3 GLN 37 2HG GLN 37 -2.281 7.811 -2.393 246 HE21 GLN 37 1HE2 GLN 37 -4.272 8.183 -1.611 247 HE22 GLN 37 2HE2 GLN 37 -4.679 9.475 -0.540 248 H ILE 38 H ILE 38 -0.714 7.497 -4.932 249 HA ILE 38 HA ILE 38 -0.256 9.914 -6.543 250 HB ILE 38 HB ILE 38 -0.891 7.085 -7.377 251 HG12 ILE 38 1HG1 ILE 38 1.339 7.691 -8.701 252 HG13 ILE 38 2HG1 ILE 38 1.540 8.811 -7.358 253 HG21 ILE 38 1HG2 ILE 38 -2.049 8.256 -8.983 254 HG22 ILE 38 2HG2 ILE 38 -0.969 9.647 -8.901 255 HG23 ILE 38 3HG2 ILE 38 -0.446 8.172 -9.714 256 HD11 ILE 38 1HD1 ILE 38 0.881 6.484 -6.086 257 HD12 ILE 38 2HD1 ILE 38 1.848 5.920 -7.449 258 HD13 ILE 38 3HD1 ILE 38 2.515 7.102 -6.323 259 H ASP 39 H ASP 39 -2.752 7.540 -5.690 260 HA ASP 39 HA ASP 39 -4.798 9.405 -6.677 261 HB2 ASP 39 1HB ASP 39 -5.264 6.536 -5.877 262 HB3 ASP 39 2HB ASP 39 -6.280 7.566 -6.883 263 H GLU 40 H GLU 40 -6.980 8.859 -5.312 264 HA GLU 40 HA GLU 40 -6.333 9.780 -2.628 265 HB2 GLU 40 1HB GLU 40 -8.676 10.352 -2.441 266 HB3 GLU 40 2HB GLU 40 -8.051 10.954 -3.970 267 HG2 GLU 40 1HG GLU 40 -8.971 8.714 -4.918 268 HG3 GLU 40 2HG GLU 40 -9.950 8.716 -3.452 269 H ASN 41 H ASN 41 -7.096 6.881 -4.189 270 HA ASN 41 HA ASN 41 -7.708 5.621 -1.601 271 HB2 ASN 41 1HB ASN 41 -9.128 5.365 -4.210 272 HB3 ASN 41 2HB ASN 41 -8.974 3.921 -3.214 273 HD21 ASN 41 1HD2 ASN 41 -10.770 6.662 -3.817 274 HD22 ASN 41 2HD2 ASN 41 -11.731 6.672 -2.381 275 H TRP 42 H TRP 42 -5.327 5.980 -3.586 276 HA TRP 42 HA TRP 42 -4.508 3.153 -3.494 277 HB2 TRP 42 1HB TRP 42 -3.833 5.160 -5.656 278 HB3 TRP 42 2HB TRP 42 -3.225 3.509 -5.566 279 HD1 TRP 42 HD TRP 42 -6.733 5.195 -5.671 280 HE1 TRP 42 1HE TRP 42 -8.243 3.765 -7.186 281 HE3 TRP 42 3HE TRP 42 -3.422 1.480 -6.842 282 HZ2 TRP 42 2HZ TRP 42 -8.056 1.377 -8.680 283 HZ3 TRP 42 3HZ TRP 42 -4.167 -0.341 -8.320 284 HH2 TRP 42 HH TRP 42 -6.436 -0.390 -9.219 285 H TYR 43 H TYR 43 -2.091 2.901 -3.559 286 HA TYR 43 HA TYR 43 -0.662 5.163 -2.367 287 HB2 TYR 43 1HB TYR 43 -1.168 2.506 -1.099 288 HB3 TYR 43 2HB TYR 43 0.379 3.294 -0.811 289 HD1 TYR 43 2HD TYR 43 -0.368 6.118 -0.637 290 HD2 TYR 43 1HD TYR 43 -2.356 2.679 0.890 291 HE1 TYR 43 2HE TYR 43 -1.395 7.498 1.121 292 HE2 TYR 43 1HE TYR 43 -3.390 4.051 2.651 293 HH TYR 43 HH TYR 43 -2.591 7.481 3.013 294 H GLU 44 H GLU 44 1.710 4.775 -2.279 295 HA GLU 44 HA GLU 44 2.567 3.038 -4.501 296 HB2 GLU 44 1HB GLU 44 2.670 5.654 -4.703 297 HB3 GLU 44 2HB GLU 44 4.110 5.478 -3.710 298 HG2 GLU 44 1HG GLU 44 4.818 3.729 -5.482 299 HG3 GLU 44 2HG GLU 44 3.604 4.515 -6.490 300 H GLY 45 H GLY 45 3.842 1.424 -3.899 301 HA2 GLY 45 1HA GLY 45 5.839 1.869 -1.808 302 HA3 GLY 45 2HA GLY 45 4.668 0.586 -1.543 303 H MET 46 H MET 46 6.930 -0.487 -1.444 304 HA MET 46 HA MET 46 7.545 -1.506 -4.139 305 HB2 MET 46 1HB MET 46 9.340 -0.612 -1.944 306 HB3 MET 46 2HB MET 46 9.848 -2.013 -2.878 307 HG2 MET 46 1HG MET 46 9.384 -0.537 -4.934 308 HG3 MET 46 2HG MET 46 9.419 0.801 -3.789 309 HE1 MET 46 1HE MET 46 11.067 1.213 -2.201 310 HE2 MET 46 2HE MET 46 12.373 0.083 -1.839 311 HE3 MET 46 3HE MET 46 12.690 1.512 -2.824 312 H LEU 47 H LEU 47 7.311 -3.631 -4.409 313 HA LEU 47 HA LEU 47 7.548 -5.424 -2.116 314 HB2 LEU 47 1HB LEU 47 5.181 -4.859 -2.237 315 HB3 LEU 47 2HB LEU 47 5.145 -5.333 -3.934 316 HG LEU 47 HG LEU 47 5.738 -7.665 -3.174 317 HD11 LEU 47 1HD1 LEU 47 6.632 -7.213 -1.001 318 HD12 LEU 47 2HD1 LEU 47 5.170 -8.178 -0.807 319 HD13 LEU 47 3HD1 LEU 47 5.130 -6.444 -0.488 320 HD21 LEU 47 1HD2 LEU 47 3.150 -6.776 -1.960 321 HD22 LEU 47 2HD2 LEU 47 3.512 -8.244 -2.868 322 HD23 LEU 47 3HD2 LEU 47 3.404 -6.694 -3.704 323 H HIS 48 H HIS 48 8.786 -7.093 -2.643 324 HA HIS 48 HA HIS 48 9.982 -8.597 -3.862 325 HB2 HIS 48 1HB HIS 48 7.351 -8.534 -5.309 326 HB3 HIS 48 2HB HIS 48 8.671 -9.537 -5.901 327 HD1 HIS 48 1HD HIS 48 9.657 -11.240 -3.954 328 HD2 HIS 48 2HD HIS 48 5.795 -9.783 -3.486 329 HE1 HIS 48 1HE HIS 48 8.544 -12.799 -2.324 330 HE2 HIS 48 2HE HIS 48 6.182 -11.947 -2.122 331 H GLY 49 H GLY 49 10.624 -5.927 -4.360 332 HA2 GLY 49 1HA GLY 49 11.906 -4.696 -5.814 333 HA3 GLY 49 2HA GLY 49 12.080 -6.160 -6.771 334 H HIS 50 H HIS 50 8.920 -4.903 -6.078 335 HA HIS 50 HA HIS 50 8.751 -3.833 -8.816 336 HB2 HIS 50 1HB HIS 50 6.801 -5.639 -7.385 337 HB3 HIS 50 2HB HIS 50 6.362 -4.705 -8.813 338 HD1 HIS 50 1HD HIS 50 8.794 -5.158 -10.584 339 HD2 HIS 50 2HD HIS 50 6.991 -8.164 -8.355 340 HE1 HIS 50 1HE HIS 50 9.427 -7.309 -11.721 341 HE2 HIS 50 2HE HIS 50 8.255 -9.108 -10.405 342 H SER 51 H SER 51 7.777 -1.900 -9.034 343 HA SER 51 HA SER 51 6.553 -0.731 -6.621 344 HB2 SER 51 1HB SER 51 7.310 1.455 -7.420 345 HB3 SER 51 2HB SER 51 8.677 0.349 -7.282 346 HG SER 51 HG SER 51 8.526 0.013 -9.541 347 H GLY 52 H GLY 52 4.419 -0.604 -6.792 348 HA2 GLY 52 1HA GLY 52 3.253 0.534 -9.213 349 HA3 GLY 52 2HA GLY 52 2.725 -1.085 -8.776 350 H PHE 53 H PHE 53 0.856 0.857 -8.961 351 HA PHE 53 HA PHE 53 0.364 1.919 -6.294 352 HB2 PHE 53 1HB PHE 53 -1.593 2.204 -8.535 353 HB3 PHE 53 2HB PHE 53 -1.184 3.342 -7.256 354 HD1 PHE 53 2HD PHE 53 1.629 3.723 -7.429 355 HD2 PHE 53 1HD PHE 53 -1.174 3.146 -10.580 356 HE1 PHE 53 2HE PHE 53 3.124 4.920 -8.973 357 HE2 PHE 53 1HE PHE 53 0.318 4.341 -12.130 358 HZ PHE 53 HZ PHE 53 2.469 5.231 -11.327 359 H PHE 54 H PHE 54 -0.999 1.054 -4.860 360 HA PHE 54 HA PHE 54 -2.797 -1.093 -5.775 361 HB2 PHE 54 1HB PHE 54 -2.441 -2.079 -3.450 362 HB3 PHE 54 2HB PHE 54 -1.089 -2.206 -4.571 363 HD1 PHE 54 1HD PHE 54 0.739 -0.413 -4.404 364 HD2 PHE 54 2HD PHE 54 -2.138 -1.143 -1.353 365 HE1 PHE 54 1HE PHE 54 2.206 0.686 -2.762 366 HE2 PHE 54 2HE PHE 54 -0.677 -0.044 0.293 367 HZ PHE 54 HZ PHE 54 1.498 0.873 -0.410 368 HA PRO 55 HA PRO 55 -6.117 1.048 -3.864 369 HB2 PRO 55 1HB PRO 55 -7.682 -1.018 -3.058 370 HB3 PRO 55 2HB PRO 55 -7.504 -0.553 -4.754 371 HG2 PRO 55 1HG PRO 55 -6.151 -2.753 -3.240 372 HG3 PRO 55 2HG PRO 55 -6.844 -2.780 -4.872 373 HD2 PRO 55 1HD PRO 55 -4.186 -2.524 -4.423 374 HD3 PRO 55 2HD PRO 55 -4.997 -1.768 -5.810 375 H ILE 56 H ILE 56 -6.991 1.656 -1.869 376 HA ILE 56 HA ILE 56 -5.419 0.798 0.441 377 HB ILE 56 HB ILE 56 -7.340 3.112 0.157 378 HG12 ILE 56 1HG1 ILE 56 -4.318 3.116 0.300 379 HG13 ILE 56 2HG1 ILE 56 -5.241 3.277 -1.191 380 HG21 ILE 56 1HG2 ILE 56 -7.299 3.265 2.369 381 HG22 ILE 56 2HG2 ILE 56 -6.247 1.854 2.468 382 HG23 ILE 56 3HG2 ILE 56 -5.548 3.465 2.311 383 HD11 ILE 56 1HD1 ILE 56 -4.327 5.354 0.226 384 HD12 ILE 56 2HD1 ILE 56 -5.775 5.422 -0.779 385 HD13 ILE 56 3HD1 ILE 56 -5.920 5.169 0.960 386 H ASN 57 H ASN 57 -8.647 0.680 -0.842 387 HA ASN 57 HA ASN 57 -10.057 0.112 1.525 388 HB2 ASN 57 1HB ASN 57 -10.561 -0.340 -1.390 389 HB3 ASN 57 2HB ASN 57 -11.613 -1.120 -0.212 390 HD21 ASN 57 1HD2 ASN 57 -10.747 1.804 -1.762 391 HD22 ASN 57 2HD2 ASN 57 -11.936 2.814 -1.017 392 H TYR 58 H TYR 58 -7.660 -1.645 0.035 393 HA TYR 58 HA TYR 58 -8.689 -4.209 1.047 394 HB2 TYR 58 1HB TYR 58 -6.747 -3.503 -1.128 395 HB3 TYR 58 2HB TYR 58 -6.667 -5.084 -0.359 396 HD1 TYR 58 2HD TYR 58 -8.959 -6.379 -0.242 397 HD2 TYR 58 1HD TYR 58 -8.109 -3.233 -2.978 398 HE1 TYR 58 2HE TYR 58 -10.742 -7.196 -1.726 399 HE2 TYR 58 1HE TYR 58 -9.891 -4.041 -4.469 400 HH TYR 58 HH TYR 58 -11.641 -5.440 -4.658 401 H VAL 59 H VAL 59 -5.961 -1.990 1.138 402 HA VAL 59 HA VAL 59 -4.754 -3.601 3.286 403 HB VAL 59 HB VAL 59 -2.656 -2.519 2.832 404 HG11 VAL 59 1HG1 VAL 59 -2.563 -3.030 0.235 405 HG12 VAL 59 2HG1 VAL 59 -2.714 -4.319 1.431 406 HG13 VAL 59 3HG1 VAL 59 -4.141 -3.742 0.570 407 HG21 VAL 59 1HG2 VAL 59 -4.310 -0.751 1.072 408 HG22 VAL 59 2HG2 VAL 59 -3.137 -0.307 2.311 409 HG23 VAL 59 3HG2 VAL 59 -2.585 -0.960 0.769 410 H GLU 60 H GLU 60 -4.631 -2.807 5.297 411 HA GLU 60 HA GLU 60 -5.827 -0.212 5.823 412 HB2 GLU 60 1HB GLU 60 -5.852 -0.883 8.144 413 HB3 GLU 60 2HB GLU 60 -6.468 -2.201 7.157 414 HG2 GLU 60 1HG GLU 60 -4.260 -3.288 7.284 415 HG3 GLU 60 2HG GLU 60 -3.712 -1.993 8.347 416 H ILE 61 H ILE 61 -4.826 1.423 7.070 417 HA ILE 61 HA ILE 61 -1.906 1.454 6.781 418 HB ILE 61 HB ILE 61 -3.865 3.716 7.181 419 HG12 ILE 61 1HG1 ILE 61 -3.906 2.834 4.925 420 HG13 ILE 61 2HG1 ILE 61 -3.076 4.387 4.917 421 HG21 ILE 61 1HG2 ILE 61 -1.160 3.619 7.917 422 HG22 ILE 61 2HG2 ILE 61 -1.231 4.560 6.428 423 HG23 ILE 61 3HG2 ILE 61 -2.201 5.039 7.820 424 HD11 ILE 61 1HD1 ILE 61 -1.852 1.651 4.734 425 HD12 ILE 61 2HD1 ILE 61 -1.865 2.920 3.509 426 HD13 ILE 61 3HD1 ILE 61 -0.918 3.126 4.981 427 H LEU 62 H LEU 62 -0.756 0.999 8.529 428 HA LEU 62 HA LEU 62 -1.938 1.314 11.176 429 HB2 LEU 62 1HB LEU 62 0.791 0.216 10.588 430 HB3 LEU 62 2HB LEU 62 -0.244 -0.095 11.980 431 HG LEU 62 HG LEU 62 -1.063 -1.001 9.245 432 HD11 LEU 62 1HD1 LEU 62 0.274 -2.825 9.241 433 HD12 LEU 62 2HD1 LEU 62 0.350 -2.913 11.001 434 HD13 LEU 62 3HD1 LEU 62 1.343 -1.742 10.133 435 HD21 LEU 62 1HD2 LEU 62 -2.752 -1.917 10.354 436 HD22 LEU 62 2HD2 LEU 62 -2.176 -1.126 11.822 437 HD23 LEU 62 3HD2 LEU 62 -1.639 -2.761 11.431 438 H VAL 63 H VAL 63 0.826 2.457 9.291 439 HA VAL 63 HA VAL 63 1.320 4.486 11.373 440 HB VAL 63 HB VAL 63 3.261 3.322 9.372 441 HG11 VAL 63 1HG1 VAL 63 3.269 5.863 10.601 442 HG12 VAL 63 2HG1 VAL 63 4.511 4.896 11.398 443 HG13 VAL 63 3HG1 VAL 63 4.546 5.110 9.647 444 HG21 VAL 63 1HG2 VAL 63 2.501 2.106 11.591 445 HG22 VAL 63 2HG2 VAL 63 4.185 2.093 11.065 446 HG23 VAL 63 3HG2 VAL 63 3.661 3.219 12.317 447 H ALA 64 H ALA 64 0.419 6.349 10.783 448 HA ALA 64 HA ALA 64 -0.286 7.084 8.174 449 HB1 ALA 64 1HB ALA 64 -0.109 8.477 10.784 450 HB2 ALA 64 2HB ALA 64 -0.199 9.475 9.333 451 HB3 ALA 64 3HB ALA 64 -1.472 8.305 9.679 452 H LEU 65 H LEU 65 0.842 7.888 6.527 453 HA LEU 65 HA LEU 65 3.577 8.000 6.388 454 HB2 LEU 65 1HB LEU 65 1.388 9.264 4.823 455 HB3 LEU 65 2HB LEU 65 3.040 9.797 4.522 456 HG LEU 65 HG LEU 65 2.343 6.885 4.417 457 HD11 LEU 65 1HD1 LEU 65 1.556 6.981 2.260 458 HD12 LEU 65 2HD1 LEU 65 2.271 8.563 1.952 459 HD13 LEU 65 3HD1 LEU 65 0.828 8.429 2.956 460 HD21 LEU 65 1HD2 LEU 65 4.453 8.635 3.168 461 HD22 LEU 65 2HD2 LEU 65 4.201 6.942 2.742 462 HD23 LEU 65 3HD2 LEU 65 4.677 7.377 4.384 463 HA PRO 66 HA PRO 66 5.002 11.649 8.363 464 HB2 PRO 66 1HB PRO 66 6.980 12.469 6.694 465 HB3 PRO 66 2HB PRO 66 7.126 11.044 7.729 466 HG2 PRO 66 1HG PRO 66 6.446 11.209 4.818 467 HG3 PRO 66 2HG PRO 66 7.528 10.079 5.651 468 HD2 PRO 66 1HD PRO 66 5.005 9.414 4.927 469 HD3 PRO 66 2HD PRO 66 5.789 8.750 6.375 470 H HIS 67 H HIS 67 3.529 11.792 5.309 471 HA HIS 67 HA HIS 67 3.715 14.679 5.049 472 HB2 HIS 67 1HB HIS 67 3.721 13.024 3.095 473 HB3 HIS 67 2HB HIS 67 1.994 12.845 3.387 474 HD1 HIS 67 1HD HIS 67 3.291 14.076 0.774 475 HD2 HIS 67 2HD HIS 67 1.665 16.219 3.940 476 HE1 HIS 67 1HE HIS 67 2.653 16.312 -0.184 477 HE2 HIS 67 2HE HIS 67 1.750 17.621 1.769 478 H SER 68 H SER 68 2.374 16.012 6.049 479 HA SER 68 HA SER 68 -0.171 14.971 7.067 480 HB2 SER 68 1HB SER 68 1.603 16.205 8.522 481 HB3 SER 68 2HB SER 68 0.955 17.665 7.775 482 HG SER 68 HG SER 68 -1.168 16.533 8.486 483 H GLY 69 H GLY 69 0.991 18.087 5.761 484 HA2 GLY 69 1HA GLY 69 0.086 19.399 4.078 485 HA3 GLY 69 2HA GLY 69 -1.107 18.142 3.787 486 HA PRO 70 HA PRO 70 -3.308 21.748 5.661 487 HB2 PRO 70 1HB PRO 70 -5.431 21.615 3.975 488 HB3 PRO 70 2HB PRO 70 -3.950 22.498 3.586 489 HG2 PRO 70 1HG PRO 70 -4.808 19.764 2.719 490 HG3 PRO 70 2HG PRO 70 -4.050 21.053 1.767 491 HD2 PRO 70 1HD PRO 70 -2.654 18.947 2.741 492 HD3 PRO 70 2HD PRO 70 -1.938 20.560 2.549 493 H SER 71 H SER 71 -4.832 21.591 7.220 494 HA SER 71 HA SER 71 -6.120 18.975 7.571 495 HB2 SER 71 1HB SER 71 -6.401 19.645 9.934 496 HB3 SER 71 2HB SER 71 -4.710 19.693 9.437 497 HG SER 71 HG SER 71 -5.262 21.564 10.593 498 H SER 72 H SER 72 -7.299 20.536 5.670 499 HA SER 72 HA SER 72 -9.221 22.364 6.357 500 HB2 SER 72 1HB SER 72 -8.656 21.558 4.032 501 HB3 SER 72 2HB SER 72 -9.674 20.152 4.345 502 HG SER 72 HG SER 72 -10.390 22.666 3.652 503 H GLY 73 H GLY 73 -11.653 21.990 6.348 504 HA2 GLY 73 1HA GLY 73 -12.577 19.499 7.476 505 HA3 GLY 73 2HA GLY 73 -12.530 20.822 8.632 Start of MODEL 11 1 H1 GLY 1 H GLY 1 11.186 -15.603 9.612 2 HA2 GLY 1 1HA GLY 1 10.286 -14.940 11.624 3 HA3 GLY 1 2HA GLY 1 11.596 -15.795 12.425 4 H SER 2 H SER 2 10.559 -12.749 11.064 5 HA SER 2 HA SER 2 12.611 -11.403 12.666 6 HB2 SER 2 1HB SER 2 12.027 -10.841 9.751 7 HB3 SER 2 2HB SER 2 12.978 -9.780 10.790 8 HG SER 2 HG SER 2 13.572 -12.491 10.186 9 H SER 3 H SER 3 12.093 -9.224 13.237 10 HA SER 3 HA SER 3 9.423 -8.252 12.633 11 HB2 SER 3 1HB SER 3 10.287 -8.865 15.470 12 HB3 SER 3 2HB SER 3 8.814 -8.008 15.018 13 HG SER 3 HG SER 3 9.490 -10.684 14.353 14 H GLY 4 H GLY 4 9.734 -6.204 12.082 15 HA2 GLY 4 1HA GLY 4 10.557 -4.155 13.673 16 HA3 GLY 4 2HA GLY 4 12.053 -4.742 12.963 17 H SER 5 H SER 5 8.797 -3.621 12.098 18 HA SER 5 HA SER 5 9.521 -3.075 9.381 19 HB2 SER 5 1HB SER 5 7.116 -2.065 10.917 20 HB3 SER 5 2HB SER 5 7.294 -2.145 9.164 21 HG SER 5 HG SER 5 6.501 -4.073 9.327 22 H SER 6 H SER 6 10.523 -1.344 8.612 23 HA SER 6 HA SER 6 10.768 1.018 10.348 24 HB2 SER 6 1HB SER 6 12.529 0.031 8.093 25 HB3 SER 6 2HB SER 6 12.759 1.569 8.924 26 HG SER 6 HG SER 6 13.948 0.363 10.190 27 H GLY 7 H GLY 7 9.799 2.851 9.776 28 HA2 GLY 7 1HA GLY 7 9.067 4.549 8.346 29 HA3 GLY 7 2HA GLY 7 9.387 3.499 6.973 30 HA PRO 8 HA PRO 8 4.775 3.780 7.885 31 HB2 PRO 8 1HB PRO 8 4.063 4.929 5.530 32 HB3 PRO 8 2HB PRO 8 4.508 5.867 6.961 33 HG2 PRO 8 1HG PRO 8 6.162 5.162 4.567 34 HG3 PRO 8 2HG PRO 8 6.044 6.707 5.431 35 HD2 PRO 8 1HD PRO 8 8.097 4.981 5.806 36 HD3 PRO 8 2HD PRO 8 7.479 6.026 7.101 37 H CYS 9 H CYS 9 3.854 1.866 7.543 38 HA CYS 9 HA CYS 9 3.910 0.712 4.855 39 HB2 CYS 9 1HB CYS 9 4.691 -0.765 7.375 40 HB3 CYS 9 2HB CYS 9 4.356 -1.548 5.836 41 HG CYS 9 HG CYS 9 6.572 0.805 5.324 42 H CYS 10 H CYS 10 2.298 -1.031 4.587 43 HA CYS 10 HA CYS 10 0.023 -0.708 6.430 44 HB2 CYS 10 1HB CYS 10 -1.498 -0.840 4.527 45 HB3 CYS 10 2HB CYS 10 -0.374 0.498 4.316 46 HG CYS 10 HG CYS 10 -1.082 -1.775 2.185 47 H ARG 11 H ARG 11 -1.656 -2.524 5.992 48 HA ARG 11 HA ARG 11 -0.240 -5.072 5.578 49 HB2 ARG 11 1HB ARG 11 -0.542 -4.729 7.973 50 HB3 ARG 11 2HB ARG 11 -2.260 -4.435 7.735 51 HG2 ARG 11 1HG ARG 11 -2.701 -6.670 7.252 52 HG3 ARG 11 2HG ARG 11 -1.006 -7.026 6.912 53 HD2 ARG 11 1HD ARG 11 -0.435 -7.092 9.154 54 HD3 ARG 11 2HD ARG 11 -1.820 -6.115 9.639 55 HE ARG 11 HE ARG 11 -2.599 -8.634 8.542 56 HH11 ARG 11 2HH1 ARG 11 -1.440 -7.054 11.420 57 HH12 ARG 11 1HH1 ARG 11 -2.120 -8.230 12.496 58 HH21 ARG 11 2HH2 ARG 11 -3.498 -10.188 9.948 59 HH22 ARG 11 1HH2 ARG 11 -3.290 -10.012 11.658 60 H ALA 12 H ALA 12 -1.250 -6.535 4.325 61 HA ALA 12 HA ALA 12 -3.646 -5.727 2.945 62 HB1 ALA 12 1HB ALA 12 -3.178 -8.243 2.055 63 HB2 ALA 12 2HB ALA 12 -2.416 -6.795 1.397 64 HB3 ALA 12 3HB ALA 12 -1.567 -7.771 2.595 65 H LEU 13 H LEU 13 -5.675 -6.469 3.221 66 HA LEU 13 HA LEU 13 -6.160 -8.220 5.506 67 HB2 LEU 13 1HB LEU 13 -8.043 -6.555 3.842 68 HB3 LEU 13 2HB LEU 13 -8.515 -7.519 5.240 69 HG LEU 13 HG LEU 13 -6.508 -5.289 5.442 70 HD11 LEU 13 1HD1 LEU 13 -9.372 -4.918 6.184 71 HD12 LEU 13 2HD1 LEU 13 -8.869 -4.674 4.512 72 HD13 LEU 13 3HD1 LEU 13 -8.141 -3.714 5.800 73 HD21 LEU 13 1HD2 LEU 13 -6.496 -6.807 7.298 74 HD22 LEU 13 2HD2 LEU 13 -8.255 -6.745 7.422 75 HD23 LEU 13 3HD2 LEU 13 -7.292 -5.317 7.804 76 H TYR 14 H TYR 14 -6.725 -8.040 2.036 77 HA TYR 14 HA TYR 14 -7.464 -10.888 2.086 78 HB2 TYR 14 1HB TYR 14 -8.771 -8.666 0.516 79 HB3 TYR 14 2HB TYR 14 -8.968 -10.366 0.105 80 HD1 TYR 14 1HD TYR 14 -9.291 -8.090 3.053 81 HD2 TYR 14 2HD TYR 14 -10.782 -11.494 0.982 82 HE1 TYR 14 1HE TYR 14 -11.133 -8.261 4.673 83 HE2 TYR 14 2HE TYR 14 -12.630 -11.674 2.595 84 HH TYR 14 HH TYR 14 -13.855 -9.878 4.198 85 H ASP 15 H ASP 15 -7.543 -11.534 -0.479 86 HA ASP 15 HA ASP 15 -4.817 -10.968 -1.403 87 HB2 ASP 15 1HB ASP 15 -4.929 -13.035 -2.627 88 HB3 ASP 15 2HB ASP 15 -5.498 -13.343 -0.989 89 H PHE 16 H PHE 16 -4.411 -9.992 -3.302 90 HA PHE 16 HA PHE 16 -6.661 -9.522 -5.136 91 HB2 PHE 16 1HB PHE 16 -6.350 -7.479 -3.852 92 HB3 PHE 16 2HB PHE 16 -4.629 -7.477 -4.222 93 HD1 PHE 16 2HD PHE 16 -7.788 -7.791 -6.191 94 HD2 PHE 16 1HD PHE 16 -4.021 -5.865 -5.723 95 HE1 PHE 16 2HE PHE 16 -8.228 -6.448 -8.205 96 HE2 PHE 16 1HE PHE 16 -4.455 -4.519 -7.736 97 HZ PHE 16 HZ PHE 16 -6.561 -4.810 -8.981 98 H GLU 17 H GLU 17 -6.212 -9.724 -7.268 99 HA GLU 17 HA GLU 17 -3.400 -10.213 -8.005 100 HB2 GLU 17 1HB GLU 17 -5.887 -11.718 -8.654 101 HB3 GLU 17 2HB GLU 17 -4.646 -11.614 -9.895 102 HG2 GLU 17 1HG GLU 17 -3.016 -12.571 -8.348 103 HG3 GLU 17 2HG GLU 17 -4.264 -12.682 -7.107 104 HA PRO 18 HA PRO 18 -3.918 -6.884 -10.857 105 HB2 PRO 18 1HB PRO 18 -1.746 -7.380 -12.408 106 HB3 PRO 18 2HB PRO 18 -1.630 -6.683 -10.787 107 HG2 PRO 18 1HG PRO 18 -1.223 -9.516 -11.665 108 HG3 PRO 18 2HG PRO 18 -0.270 -8.550 -10.524 109 HD2 PRO 18 1HD PRO 18 -2.099 -10.375 -9.714 110 HD3 PRO 18 2HD PRO 18 -1.755 -8.895 -8.795 111 H GLU 19 H GLU 19 -5.380 -6.834 -12.436 112 HA GLU 19 HA GLU 19 -5.545 -9.090 -14.304 113 HB2 GLU 19 1HB GLU 19 -7.783 -8.171 -14.868 114 HB3 GLU 19 2HB GLU 19 -7.619 -8.604 -13.172 115 HG2 GLU 19 1HG GLU 19 -7.138 -5.797 -14.075 116 HG3 GLU 19 2HG GLU 19 -8.776 -6.390 -13.803 117 H ASN 20 H ASN 20 -4.955 -5.659 -14.123 118 HA ASN 20 HA ASN 20 -4.223 -5.683 -16.964 119 HB2 ASN 20 1HB ASN 20 -5.709 -3.380 -15.692 120 HB3 ASN 20 2HB ASN 20 -5.306 -3.589 -17.394 121 HD21 ASN 20 1HD2 ASN 20 -7.702 -3.850 -15.152 122 HD22 ASN 20 2HD2 ASN 20 -8.761 -4.927 -15.992 123 H GLU 21 H GLU 21 -2.506 -4.354 -17.522 124 HA GLU 21 HA GLU 21 -0.428 -4.006 -15.823 125 HB2 GLU 21 1HB GLU 21 0.543 -2.496 -17.390 126 HB3 GLU 21 2HB GLU 21 -0.422 -3.639 -18.312 127 HG2 GLU 21 1HG GLU 21 -1.332 -0.882 -17.524 128 HG3 GLU 21 2HG GLU 21 -0.633 -1.304 -19.087 129 H GLY 22 H GLY 22 0.557 -2.051 -14.882 130 HA2 GLY 22 1HA GLY 22 0.504 -0.130 -13.607 131 HA3 GLY 22 2HA GLY 22 -1.072 0.228 -14.299 132 H GLU 23 H GLU 23 0.067 -2.522 -12.349 133 HA GLU 23 HA GLU 23 -1.490 -1.660 -10.072 134 HB2 GLU 23 1HB GLU 23 -2.238 -4.149 -11.615 135 HB3 GLU 23 2HB GLU 23 -2.824 -3.770 -10.001 136 HG2 GLU 23 1HG GLU 23 -3.890 -1.749 -10.856 137 HG3 GLU 23 2HG GLU 23 -3.299 -2.121 -12.474 138 H LEU 24 H LEU 24 -0.836 -2.602 -8.172 139 HA LEU 24 HA LEU 24 1.446 -4.449 -8.392 140 HB2 LEU 24 1HB LEU 24 2.009 -2.293 -7.422 141 HB3 LEU 24 2HB LEU 24 0.738 -2.485 -6.216 142 HG LEU 24 HG LEU 24 2.059 -4.566 -5.465 143 HD11 LEU 24 1HD1 LEU 24 4.136 -4.949 -6.233 144 HD12 LEU 24 2HD1 LEU 24 4.504 -3.234 -6.408 145 HD13 LEU 24 3HD1 LEU 24 3.568 -4.065 -7.650 146 HD21 LEU 24 1HD2 LEU 24 2.538 -1.707 -4.961 147 HD22 LEU 24 2HD2 LEU 24 3.814 -2.797 -4.416 148 HD23 LEU 24 3HD2 LEU 24 2.161 -3.014 -3.838 149 H GLY 25 H GLY 25 0.473 -6.427 -8.275 150 HA2 GLY 25 1HA GLY 25 -1.701 -7.092 -6.616 151 HA3 GLY 25 2HA GLY 25 -0.574 -8.237 -7.328 152 H PHE 26 H PHE 26 -1.869 -7.536 -4.521 153 HA PHE 26 HA PHE 26 0.615 -7.985 -3.001 154 HB2 PHE 26 1HB PHE 26 -0.614 -6.994 -1.054 155 HB3 PHE 26 2HB PHE 26 -0.319 -5.862 -2.369 156 HD1 PHE 26 1HD PHE 26 -2.942 -8.330 -1.381 157 HD2 PHE 26 2HD PHE 26 -2.043 -4.450 -2.880 158 HE1 PHE 26 1HE PHE 26 -5.345 -7.809 -1.463 159 HE2 PHE 26 2HE PHE 26 -4.444 -3.921 -2.964 160 HZ PHE 26 HZ PHE 26 -6.099 -5.601 -2.254 161 H LYS 27 H LYS 27 -0.078 -8.959 -0.713 162 HA LYS 27 HA LYS 27 -2.001 -11.135 -1.157 163 HB2 LYS 27 1HB LYS 27 0.581 -11.674 -1.422 164 HB3 LYS 27 2HB LYS 27 0.515 -11.729 0.334 165 HG2 LYS 27 1HG LYS 27 -1.524 -13.261 -1.184 166 HG3 LYS 27 2HG LYS 27 0.130 -13.878 -1.145 167 HD2 LYS 27 1HD LYS 27 -1.122 -13.019 1.416 168 HD3 LYS 27 2HD LYS 27 -1.639 -14.548 0.700 169 HE2 LYS 27 1HE LYS 27 1.277 -13.991 0.925 170 HE3 LYS 27 2HE LYS 27 0.389 -14.428 2.384 171 HZ1 LYS 27 1HZ LYS 27 0.877 -16.029 -0.037 172 HZ2 LYS 27 2HZ LYS 27 -0.477 -16.354 0.923 173 HZ3 LYS 27 3HZ LYS 27 1.075 -16.460 1.587 174 H GLU 28 H GLU 28 -3.043 -11.907 0.688 175 HA GLU 28 HA GLU 28 -3.640 -10.094 2.686 176 HB2 GLU 28 1HB GLU 28 -5.117 -11.929 2.286 177 HB3 GLU 28 2HB GLU 28 -3.858 -13.102 2.646 178 HG2 GLU 28 1HG GLU 28 -4.049 -12.828 4.906 179 HG3 GLU 28 2HG GLU 28 -4.652 -11.178 4.766 180 H GLY 29 H GLY 29 -2.544 -9.347 4.372 181 HA2 GLY 29 1HA GLY 29 -1.299 -9.556 6.364 182 HA3 GLY 29 2HA GLY 29 -0.708 -11.114 5.804 183 H ASP 30 H ASP 30 0.201 -10.326 3.254 184 HA ASP 30 HA ASP 30 2.808 -9.607 3.738 185 HB2 ASP 30 1HB ASP 30 1.089 -9.312 1.285 186 HB3 ASP 30 2HB ASP 30 2.781 -8.822 1.280 187 H ILE 31 H ILE 31 3.653 -7.830 4.577 188 HA ILE 31 HA ILE 31 2.190 -5.364 4.692 189 HB ILE 31 HB ILE 31 5.065 -5.866 5.465 190 HG12 ILE 31 1HG1 ILE 31 3.463 -7.379 6.621 191 HG13 ILE 31 2HG1 ILE 31 4.262 -6.257 7.717 192 HG21 ILE 31 1HG2 ILE 31 5.156 -3.748 6.144 193 HG22 ILE 31 2HG2 ILE 31 3.653 -3.488 5.260 194 HG23 ILE 31 3HG2 ILE 31 3.608 -3.878 6.979 195 HD11 ILE 31 1HD1 ILE 31 2.318 -5.452 8.397 196 HD12 ILE 31 2HD1 ILE 31 1.803 -5.139 6.739 197 HD13 ILE 31 3HD1 ILE 31 1.532 -6.724 7.462 198 H ILE 32 H ILE 32 2.116 -3.916 3.119 199 HA ILE 32 HA ILE 32 4.229 -3.881 1.093 200 HB ILE 32 HB ILE 32 1.578 -2.437 1.056 201 HG12 ILE 32 1HG1 ILE 32 2.153 -4.827 -0.638 202 HG13 ILE 32 2HG1 ILE 32 1.721 -5.085 1.048 203 HG21 ILE 32 1HG2 ILE 32 3.611 -2.969 -1.105 204 HG22 ILE 32 2HG2 ILE 32 2.026 -2.241 -1.359 205 HG23 ILE 32 3HG2 ILE 32 3.232 -1.408 -0.378 206 HD11 ILE 32 1HD1 ILE 32 0.088 -3.871 -1.143 207 HD12 ILE 32 2HD1 ILE 32 -0.296 -5.234 -0.091 208 HD13 ILE 32 3HD1 ILE 32 -0.298 -3.593 0.555 209 H THR 33 H THR 33 5.847 -2.514 1.420 210 HA THR 33 HA THR 33 5.910 -0.437 3.270 211 HB THR 33 HB THR 33 7.572 -0.607 0.750 212 HG1 THR 33 1HG THR 33 8.819 -2.036 1.799 213 HG21 THR 33 1HG2 THR 33 7.967 0.794 3.392 214 HG22 THR 33 2HG2 THR 33 7.869 1.520 1.787 215 HG23 THR 33 3HG2 THR 33 9.264 0.534 2.226 216 H LEU 34 H LEU 34 6.151 1.888 2.863 217 HA LEU 34 HA LEU 34 4.533 2.813 0.584 218 HB2 LEU 34 1HB LEU 34 4.454 3.819 3.424 219 HB3 LEU 34 2HB LEU 34 3.629 4.579 2.065 220 HG LEU 34 HG LEU 34 3.058 1.746 2.892 221 HD11 LEU 34 1HD1 LEU 34 2.650 3.078 4.851 222 HD12 LEU 34 2HD1 LEU 34 1.105 2.659 4.111 223 HD13 LEU 34 3HD1 LEU 34 1.773 4.278 3.902 224 HD21 LEU 34 1HD2 LEU 34 1.409 1.803 1.368 225 HD22 LEU 34 2HD2 LEU 34 2.350 3.118 0.662 226 HD23 LEU 34 3HD2 LEU 34 0.992 3.478 1.729 227 H THR 35 H THR 35 5.362 4.452 -0.567 228 HA THR 35 HA THR 35 7.647 5.928 0.564 229 HB THR 35 HB THR 35 8.591 4.374 -1.003 230 HG1 THR 35 1HG THR 35 9.733 5.866 -2.040 231 HG21 THR 35 1HG2 THR 35 7.110 5.413 -3.344 232 HG22 THR 35 2HG2 THR 35 6.216 4.347 -2.261 233 HG23 THR 35 3HG2 THR 35 7.711 3.789 -3.012 234 H ASN 36 H ASN 36 5.000 5.908 -1.778 235 HA ASN 36 HA ASN 36 4.500 8.699 -1.314 236 HB2 ASN 36 1HB ASN 36 6.368 8.442 -3.144 237 HB3 ASN 36 2HB ASN 36 5.011 8.029 -4.188 238 HD21 ASN 36 1HD2 ASN 36 5.075 9.818 -5.455 239 HD22 ASN 36 2HD2 ASN 36 4.737 11.413 -4.882 240 H GLN 37 H GLN 37 2.675 9.454 -2.866 241 HA GLN 37 HA GLN 37 0.844 7.207 -3.377 242 HB2 GLN 37 1HB GLN 37 0.082 8.210 -1.344 243 HB3 GLN 37 2HB GLN 37 0.244 9.829 -2.011 244 HG2 GLN 37 1HG GLN 37 -1.498 8.880 -3.763 245 HG3 GLN 37 2HG GLN 37 -1.885 7.810 -2.417 246 HE21 GLN 37 1HE2 GLN 37 -3.859 8.638 -1.937 247 HE22 GLN 37 2HE2 GLN 37 -4.112 10.239 -1.339 248 H ILE 38 H ILE 38 -0.399 7.328 -5.199 249 HA ILE 38 HA ILE 38 0.160 9.602 -6.984 250 HB ILE 38 HB ILE 38 -0.561 6.748 -7.645 251 HG12 ILE 38 1HG1 ILE 38 1.675 7.057 -8.948 252 HG13 ILE 38 2HG1 ILE 38 1.927 8.417 -7.859 253 HG21 ILE 38 1HG2 ILE 38 -0.445 9.199 -9.364 254 HG22 ILE 38 2HG2 ILE 38 -0.145 7.597 -10.036 255 HG23 ILE 38 3HG2 ILE 38 -1.696 7.959 -9.279 256 HD11 ILE 38 1HD1 ILE 38 2.787 5.955 -7.335 257 HD12 ILE 38 2HD1 ILE 38 2.299 7.087 -6.073 258 HD13 ILE 38 3HD1 ILE 38 1.177 5.843 -6.623 259 H ASP 39 H ASP 39 -2.386 7.346 -5.974 260 HA ASP 39 HA ASP 39 -4.394 9.197 -7.062 261 HB2 ASP 39 1HB ASP 39 -5.091 6.473 -6.041 262 HB3 ASP 39 2HB ASP 39 -5.848 7.413 -7.324 263 H GLU 40 H GLU 40 -6.500 9.184 -5.735 264 HA GLU 40 HA GLU 40 -5.813 10.063 -3.072 265 HB2 GLU 40 1HB GLU 40 -8.360 10.073 -4.678 266 HB3 GLU 40 2HB GLU 40 -8.332 10.539 -2.983 267 HG2 GLU 40 1HG GLU 40 -8.200 12.406 -4.675 268 HG3 GLU 40 2HG GLU 40 -6.979 12.406 -3.404 269 H ASN 41 H ASN 41 -6.726 7.150 -4.465 270 HA ASN 41 HA ASN 41 -7.543 6.102 -1.839 271 HB2 ASN 41 1HB ASN 41 -8.841 5.747 -4.502 272 HB3 ASN 41 2HB ASN 41 -8.846 4.383 -3.388 273 HD21 ASN 41 1HD2 ASN 41 -9.210 5.457 -0.985 274 HD22 ASN 41 2HD2 ASN 41 -10.706 6.317 -0.902 275 H TRP 42 H TRP 42 -5.136 6.143 -3.938 276 HA TRP 42 HA TRP 42 -4.474 3.298 -3.543 277 HB2 TRP 42 1HB TRP 42 -3.647 5.111 -5.820 278 HB3 TRP 42 2HB TRP 42 -3.079 3.460 -5.586 279 HD1 TRP 42 HD TRP 42 -6.609 5.099 -5.758 280 HE1 TRP 42 1HE TRP 42 -8.080 3.628 -7.274 281 HE3 TRP 42 3HE TRP 42 -3.192 1.486 -6.946 282 HZ2 TRP 42 2HZ TRP 42 -7.826 1.251 -8.774 283 HZ3 TRP 42 3HZ TRP 42 -3.886 -0.352 -8.426 284 HH2 TRP 42 HH TRP 42 -6.156 -0.466 -9.320 285 H TYR 43 H TYR 43 -2.089 2.881 -3.482 286 HA TYR 43 HA TYR 43 -0.565 5.129 -2.373 287 HB2 TYR 43 1HB TYR 43 -1.150 2.505 -1.039 288 HB3 TYR 43 2HB TYR 43 0.345 3.363 -0.684 289 HD1 TYR 43 2HD TYR 43 -0.513 6.159 -0.660 290 HD2 TYR 43 1HD TYR 43 -2.471 2.701 0.861 291 HE1 TYR 43 2HE TYR 43 -1.701 7.558 0.977 292 HE2 TYR 43 1HE TYR 43 -3.665 4.091 2.501 293 HH TYR 43 HH TYR 43 -2.879 6.797 3.539 294 H GLU 44 H GLU 44 1.696 4.944 -2.557 295 HA GLU 44 HA GLU 44 2.548 2.984 -4.574 296 HB2 GLU 44 1HB GLU 44 2.753 5.612 -4.801 297 HB3 GLU 44 2HB GLU 44 4.211 5.355 -3.853 298 HG2 GLU 44 1HG GLU 44 4.943 3.698 -5.564 299 HG3 GLU 44 2HG GLU 44 3.555 4.177 -6.540 300 H GLY 45 H GLY 45 3.972 1.446 -4.065 301 HA2 GLY 45 1HA GLY 45 5.838 1.850 -1.859 302 HA3 GLY 45 2HA GLY 45 4.678 0.543 -1.671 303 H MET 46 H MET 46 6.957 -0.492 -1.508 304 HA MET 46 HA MET 46 7.656 -1.478 -4.194 305 HB2 MET 46 1HB MET 46 9.402 -0.496 -1.997 306 HB3 MET 46 2HB MET 46 9.970 -1.884 -2.916 307 HG2 MET 46 1HG MET 46 9.866 -0.636 -4.965 308 HG3 MET 46 2HG MET 46 9.131 0.734 -4.135 309 HE1 MET 46 1HE MET 46 11.819 2.500 -2.327 310 HE2 MET 46 2HE MET 46 10.106 2.107 -2.470 311 HE3 MET 46 3HE MET 46 11.142 1.158 -1.403 312 H LEU 47 H LEU 47 7.026 -3.521 -4.364 313 HA LEU 47 HA LEU 47 7.542 -5.343 -2.118 314 HB2 LEU 47 1HB LEU 47 5.183 -4.796 -2.058 315 HB3 LEU 47 2HB LEU 47 5.021 -5.204 -3.765 316 HG LEU 47 HG LEU 47 5.763 -7.570 -3.031 317 HD11 LEU 47 1HD1 LEU 47 4.732 -6.537 -0.396 318 HD12 LEU 47 2HD1 LEU 47 6.431 -6.849 -0.750 319 HD13 LEU 47 3HD1 LEU 47 5.269 -8.176 -0.766 320 HD21 LEU 47 1HD2 LEU 47 3.289 -7.864 -2.096 321 HD22 LEU 47 2HD2 LEU 47 3.626 -7.562 -3.801 322 HD23 LEU 47 3HD2 LEU 47 3.133 -6.234 -2.750 323 H HIS 48 H HIS 48 8.549 -7.168 -2.683 324 HA HIS 48 HA HIS 48 9.647 -8.697 -3.965 325 HB2 HIS 48 1HB HIS 48 7.083 -8.380 -5.525 326 HB3 HIS 48 2HB HIS 48 8.308 -9.575 -5.941 327 HD1 HIS 48 1HD HIS 48 8.988 -11.059 -3.589 328 HD2 HIS 48 2HD HIS 48 5.161 -9.498 -4.012 329 HE1 HIS 48 1HE HIS 48 7.537 -12.406 -2.038 330 HE2 HIS 48 2HE HIS 48 5.211 -11.499 -2.374 331 H GLY 49 H GLY 49 10.477 -6.064 -4.370 332 HA2 GLY 49 1HA GLY 49 11.826 -4.863 -5.790 333 HA3 GLY 49 2HA GLY 49 11.919 -6.309 -6.784 334 H HIS 50 H HIS 50 8.799 -5.001 -6.114 335 HA HIS 50 HA HIS 50 8.725 -3.785 -8.796 336 HB2 HIS 50 1HB HIS 50 6.517 -5.394 -7.496 337 HB3 HIS 50 2HB HIS 50 6.449 -4.633 -9.083 338 HD1 HIS 50 1HD HIS 50 9.167 -5.543 -10.204 339 HD2 HIS 50 2HD HIS 50 6.524 -8.029 -8.179 340 HE1 HIS 50 1HE HIS 50 9.733 -7.877 -10.950 341 HE2 HIS 50 2HE HIS 50 8.066 -9.356 -9.777 342 H SER 51 H SER 51 7.887 -1.790 -8.918 343 HA SER 51 HA SER 51 6.651 -0.689 -6.482 344 HB2 SER 51 1HB SER 51 8.851 0.302 -7.210 345 HB3 SER 51 2HB SER 51 8.042 0.868 -8.671 346 HG SER 51 HG SER 51 7.650 1.663 -5.998 347 H GLY 52 H GLY 52 4.503 -0.713 -6.721 348 HA2 GLY 52 1HA GLY 52 3.383 0.631 -9.074 349 HA3 GLY 52 2HA GLY 52 2.820 -0.993 -8.705 350 H PHE 53 H PHE 53 0.884 0.752 -8.794 351 HA PHE 53 HA PHE 53 0.424 1.787 -6.092 352 HB2 PHE 53 1HB PHE 53 -1.514 2.227 -8.321 353 HB3 PHE 53 2HB PHE 53 -1.071 3.296 -6.994 354 HD1 PHE 53 2HD PHE 53 1.838 3.414 -7.233 355 HD2 PHE 53 1HD PHE 53 -1.163 3.445 -10.252 356 HE1 PHE 53 2HE PHE 53 3.360 4.639 -8.729 357 HE2 PHE 53 1HE PHE 53 0.355 4.670 -11.752 358 HZ PHE 53 HZ PHE 53 2.619 5.269 -10.991 359 H PHE 54 H PHE 54 -1.173 1.050 -4.780 360 HA PHE 54 HA PHE 54 -2.903 -1.095 -5.810 361 HB2 PHE 54 1HB PHE 54 -2.649 -2.072 -3.416 362 HB3 PHE 54 2HB PHE 54 -1.361 -2.345 -4.585 363 HD1 PHE 54 1HD PHE 54 0.596 -0.647 -4.547 364 HD2 PHE 54 2HD PHE 54 -2.146 -1.203 -1.339 365 HE1 PHE 54 1HE PHE 54 2.222 0.346 -2.990 366 HE2 PHE 54 2HE PHE 54 -0.525 -0.210 0.223 367 HZ PHE 54 HZ PHE 54 1.662 0.566 -0.602 368 HA PRO 55 HA PRO 55 -6.268 1.015 -3.947 369 HB2 PRO 55 1HB PRO 55 -7.858 -1.054 -3.196 370 HB3 PRO 55 2HB PRO 55 -7.637 -0.576 -4.883 371 HG2 PRO 55 1HG PRO 55 -6.327 -2.791 -3.354 372 HG3 PRO 55 2HG PRO 55 -6.980 -2.803 -5.003 373 HD2 PRO 55 1HD PRO 55 -4.333 -2.558 -4.486 374 HD3 PRO 55 2HD PRO 55 -5.107 -1.789 -5.886 375 H ILE 56 H ILE 56 -7.159 1.634 -1.972 376 HA ILE 56 HA ILE 56 -5.671 0.718 0.372 377 HB ILE 56 HB ILE 56 -7.470 3.113 -0.007 378 HG12 ILE 56 1HG1 ILE 56 -4.488 3.014 0.470 379 HG13 ILE 56 2HG1 ILE 56 -5.206 3.112 -1.134 380 HG21 ILE 56 1HG2 ILE 56 -6.347 1.860 2.399 381 HG22 ILE 56 2HG2 ILE 56 -6.089 3.599 2.273 382 HG23 ILE 56 3HG2 ILE 56 -7.725 2.945 2.220 383 HD11 ILE 56 1HD1 ILE 56 -5.954 5.129 0.922 384 HD12 ILE 56 2HD1 ILE 56 -4.406 5.262 0.088 385 HD13 ILE 56 3HD1 ILE 56 -5.909 5.272 -0.835 386 H ASN 57 H ASN 57 -8.598 0.138 -1.135 387 HA ASN 57 HA ASN 57 -10.193 -0.221 1.242 388 HB2 ASN 57 1HB ASN 57 -11.043 0.414 -1.104 389 HB3 ASN 57 2HB ASN 57 -10.863 -1.295 -1.491 390 HD21 ASN 57 1HD2 ASN 57 -12.507 1.011 0.569 391 HD22 ASN 57 2HD2 ASN 57 -13.850 -0.006 0.956 392 H TYR 58 H TYR 58 -7.628 -1.836 0.313 393 HA TYR 58 HA TYR 58 -8.733 -4.449 1.108 394 HB2 TYR 58 1HB TYR 58 -6.844 -3.752 -1.097 395 HB3 TYR 58 2HB TYR 58 -6.628 -5.286 -0.263 396 HD1 TYR 58 2HD TYR 58 -8.810 -6.742 -0.032 397 HD2 TYR 58 1HD TYR 58 -8.267 -3.664 -2.919 398 HE1 TYR 58 2HE TYR 58 -10.561 -7.754 -1.432 399 HE2 TYR 58 1HE TYR 58 -10.017 -4.667 -4.326 400 HH TYR 58 HH TYR 58 -12.069 -7.188 -3.188 401 H VAL 59 H VAL 59 -6.211 -2.083 1.406 402 HA VAL 59 HA VAL 59 -4.906 -3.736 3.469 403 HB VAL 59 HB VAL 59 -2.873 -2.479 3.114 404 HG11 VAL 59 1HG1 VAL 59 -4.201 -3.855 0.864 405 HG12 VAL 59 2HG1 VAL 59 -2.749 -2.932 0.471 406 HG13 VAL 59 3HG1 VAL 59 -2.679 -4.216 1.678 407 HG21 VAL 59 1HG2 VAL 59 -4.264 -0.981 0.904 408 HG22 VAL 59 2HG2 VAL 59 -4.066 -0.337 2.534 409 HG23 VAL 59 3HG2 VAL 59 -2.648 -0.704 1.552 410 H GLU 60 H GLU 60 -4.104 -2.629 5.363 411 HA GLU 60 HA GLU 60 -5.744 -0.279 6.042 412 HB2 GLU 60 1HB GLU 60 -5.906 -2.585 7.305 413 HB3 GLU 60 2HB GLU 60 -4.465 -2.000 8.126 414 HG2 GLU 60 1HG GLU 60 -6.472 -1.492 9.393 415 HG3 GLU 60 2HG GLU 60 -5.665 -0.019 8.860 416 H ILE 61 H ILE 61 -4.806 1.520 6.901 417 HA ILE 61 HA ILE 61 -1.905 1.689 6.665 418 HB ILE 61 HB ILE 61 -4.005 3.821 7.053 419 HG12 ILE 61 1HG1 ILE 61 -4.049 2.989 4.816 420 HG13 ILE 61 2HG1 ILE 61 -3.168 4.512 4.767 421 HG21 ILE 61 1HG2 ILE 61 -2.420 5.192 7.778 422 HG22 ILE 61 2HG2 ILE 61 -1.222 3.904 7.660 423 HG23 ILE 61 3HG2 ILE 61 -1.536 4.945 6.272 424 HD11 ILE 61 1HD1 ILE 61 -1.071 3.009 4.995 425 HD12 ILE 61 2HD1 ILE 61 -2.152 1.729 4.445 426 HD13 ILE 61 3HD1 ILE 61 -1.883 3.150 3.436 427 H LEU 62 H LEU 62 -0.769 1.165 8.413 428 HA LEU 62 HA LEU 62 -1.870 1.575 11.073 429 HB2 LEU 62 1HB LEU 62 0.809 0.428 10.319 430 HB3 LEU 62 2HB LEU 62 -0.016 0.289 11.870 431 HG LEU 62 HG LEU 62 -0.960 -0.962 9.292 432 HD11 LEU 62 1HD1 LEU 62 0.859 -2.260 9.750 433 HD12 LEU 62 2HD1 LEU 62 -0.342 -3.059 10.764 434 HD13 LEU 62 3HD1 LEU 62 0.805 -1.926 11.481 435 HD21 LEU 62 1HD2 LEU 62 -1.998 -2.149 11.670 436 HD22 LEU 62 2HD2 LEU 62 -2.868 -1.375 10.345 437 HD23 LEU 62 3HD2 LEU 62 -2.305 -0.413 11.712 438 H VAL 63 H VAL 63 0.821 2.707 9.084 439 HA VAL 63 HA VAL 63 1.335 4.802 11.094 440 HB VAL 63 HB VAL 63 3.248 3.512 9.149 441 HG11 VAL 63 1HG1 VAL 63 4.944 5.044 9.952 442 HG12 VAL 63 2HG1 VAL 63 3.601 5.948 9.250 443 HG13 VAL 63 3HG1 VAL 63 3.768 5.833 11.003 444 HG21 VAL 63 1HG2 VAL 63 2.810 2.259 11.213 445 HG22 VAL 63 2HG2 VAL 63 4.467 2.861 11.153 446 HG23 VAL 63 3HG2 VAL 63 3.270 3.673 12.162 447 H ALA 64 H ALA 64 0.449 6.653 10.457 448 HA ALA 64 HA ALA 64 -0.272 7.273 7.805 449 HB1 ALA 64 1HB ALA 64 -0.211 8.722 10.385 450 HB2 ALA 64 2HB ALA 64 -0.267 9.699 8.917 451 HB3 ALA 64 3HB ALA 64 -1.529 8.508 9.232 452 H LEU 65 H LEU 65 0.920 7.952 6.156 453 HA LEU 65 HA LEU 65 3.647 8.215 6.127 454 HB2 LEU 65 1HB LEU 65 1.527 9.412 4.375 455 HB3 LEU 65 2HB LEU 65 3.240 9.687 4.063 456 HG LEU 65 HG LEU 65 2.220 6.889 4.303 457 HD11 LEU 65 1HD1 LEU 65 0.737 8.211 2.732 458 HD12 LEU 65 2HD1 LEU 65 1.542 6.799 2.049 459 HD13 LEU 65 3HD1 LEU 65 2.163 8.415 1.714 460 HD21 LEU 65 1HD2 LEU 65 4.505 8.295 2.964 461 HD22 LEU 65 2HD2 LEU 65 4.016 6.671 2.478 462 HD23 LEU 65 3HD2 LEU 65 4.543 6.975 4.134 463 HA PRO 66 HA PRO 66 4.706 12.056 7.976 464 HB2 PRO 66 1HB PRO 66 6.909 12.723 6.536 465 HB3 PRO 66 2HB PRO 66 6.901 11.423 7.734 466 HG2 PRO 66 1HG PRO 66 6.661 11.254 4.755 467 HG3 PRO 66 2HG PRO 66 7.610 10.243 5.860 468 HD2 PRO 66 1HD PRO 66 5.224 9.456 4.850 469 HD3 PRO 66 2HD PRO 66 5.785 8.971 6.463 470 H HIS 67 H HIS 67 3.245 13.643 7.599 471 HA HIS 67 HA HIS 67 2.290 15.493 6.683 472 HB2 HIS 67 1HB HIS 67 4.882 15.933 6.372 473 HB3 HIS 67 2HB HIS 67 4.479 15.756 4.667 474 HD1 HIS 67 1HD HIS 67 2.885 17.556 3.637 475 HD2 HIS 67 2HD HIS 67 4.051 18.299 7.555 476 HE1 HIS 67 1HE HIS 67 2.285 19.959 4.073 477 HE2 HIS 67 2HE HIS 67 3.078 20.410 6.421 478 H SER 68 H SER 68 1.266 13.166 5.771 479 HA SER 68 HA SER 68 1.284 12.816 2.976 480 HB2 SER 68 1HB SER 68 0.399 11.254 4.874 481 HB3 SER 68 2HB SER 68 -1.114 12.131 4.650 482 HG SER 68 HG SER 68 -1.415 10.765 3.083 483 H GLY 69 H GLY 69 -1.003 14.521 5.106 484 HA2 GLY 69 1HA GLY 69 -2.311 15.663 2.742 485 HA3 GLY 69 2HA GLY 69 -2.935 15.701 4.385 486 HA PRO 70 HA PRO 70 -0.409 19.600 3.130 487 HB2 PRO 70 1HB PRO 70 -2.369 21.170 2.099 488 HB3 PRO 70 2HB PRO 70 -1.366 20.108 1.104 489 HG2 PRO 70 1HG PRO 70 -4.135 19.664 2.152 490 HG3 PRO 70 2HG PRO 70 -3.479 19.314 0.543 491 HD2 PRO 70 1HD PRO 70 -3.797 17.402 2.433 492 HD3 PRO 70 2HD PRO 70 -2.488 17.351 1.235 493 H SER 71 H SER 71 -0.810 21.819 4.018 494 HA SER 71 HA SER 71 -2.399 21.608 6.481 495 HB2 SER 71 1HB SER 71 -0.962 23.509 7.274 496 HB3 SER 71 2HB SER 71 -0.067 22.032 6.919 497 HG SER 71 HG SER 71 -0.375 23.900 4.868 498 H SER 72 H SER 72 -3.980 23.044 6.965 499 HA SER 72 HA SER 72 -4.517 25.160 4.983 500 HB2 SER 72 1HB SER 72 -6.900 24.806 5.319 501 HB3 SER 72 2HB SER 72 -6.142 23.279 4.868 502 HG SER 72 HG SER 72 -6.361 23.886 7.586 503 H GLY 73 H GLY 73 -4.384 27.141 5.788 504 HA2 GLY 73 1HA GLY 73 -4.927 28.891 7.252 505 HA3 GLY 73 2HA GLY 73 -5.412 27.704 8.454 Start of MODEL 12 1 H1 GLY 1 H GLY 1 12.264 -11.770 2.123 2 HA2 GLY 1 1HA GLY 1 11.955 -9.029 2.454 3 HA3 GLY 1 2HA GLY 1 10.640 -10.194 2.507 4 H SER 2 H SER 2 12.900 -8.319 4.384 5 HA SER 2 HA SER 2 12.259 -9.339 6.934 6 HB2 SER 2 1HB SER 2 13.391 -6.697 6.017 7 HB3 SER 2 2HB SER 2 13.131 -7.065 7.721 8 HG SER 2 HG SER 2 14.515 -8.935 6.180 9 H SER 3 H SER 3 10.835 -8.627 8.511 10 HA SER 3 HA SER 3 8.736 -6.767 7.608 11 HB2 SER 3 1HB SER 3 8.406 -9.360 9.131 12 HB3 SER 3 2HB SER 3 7.123 -8.166 8.938 13 HG SER 3 HG SER 3 7.100 -8.539 6.766 14 H GLY 4 H GLY 4 9.820 -5.081 8.731 15 HA2 GLY 4 1HA GLY 4 8.883 -4.287 11.121 16 HA3 GLY 4 2HA GLY 4 10.214 -5.332 11.594 17 H SER 5 H SER 5 10.020 -3.151 8.812 18 HA SER 5 HA SER 5 12.542 -1.952 9.607 19 HB2 SER 5 1HB SER 5 12.082 -2.622 7.238 20 HB3 SER 5 2HB SER 5 10.856 -1.357 7.165 21 HG SER 5 HG SER 5 12.376 0.072 6.929 22 H SER 6 H SER 6 12.837 0.382 9.625 23 HA SER 6 HA SER 6 10.742 1.670 11.129 24 HB2 SER 6 1HB SER 6 13.295 1.850 11.517 25 HB3 SER 6 2HB SER 6 13.266 3.022 10.200 26 HG SER 6 HG SER 6 11.528 4.056 11.501 27 H GLY 7 H GLY 7 9.043 2.417 10.017 28 HA2 GLY 7 1HA GLY 7 8.943 4.680 8.565 29 HA3 GLY 7 2HA GLY 7 9.356 3.488 7.342 30 HA PRO 8 HA PRO 8 4.692 3.754 8.042 31 HB2 PRO 8 1HB PRO 8 4.047 4.742 5.597 32 HB3 PRO 8 2HB PRO 8 4.410 5.775 6.985 33 HG2 PRO 8 1HG PRO 8 6.177 4.975 4.704 34 HG3 PRO 8 2HG PRO 8 5.986 6.564 5.468 35 HD2 PRO 8 1HD PRO 8 8.064 4.920 6.025 36 HD3 PRO 8 2HD PRO 8 7.369 6.022 7.231 37 H CYS 9 H CYS 9 3.809 1.812 7.767 38 HA CYS 9 HA CYS 9 4.075 0.478 5.171 39 HB2 CYS 9 1HB CYS 9 4.483 -1.683 6.269 40 HB3 CYS 9 2HB CYS 9 5.765 -0.531 6.624 41 HG CYS 9 HG CYS 9 3.342 -0.511 8.914 42 H CYS 10 H CYS 10 2.398 -1.023 4.692 43 HA CYS 10 HA CYS 10 0.019 -0.745 6.408 44 HB2 CYS 10 1HB CYS 10 -1.377 -0.696 4.425 45 HB3 CYS 10 2HB CYS 10 -0.168 0.577 4.318 46 HG CYS 10 HG CYS 10 1.029 -0.238 2.164 47 H ARG 11 H ARG 11 -1.449 -2.519 6.425 48 HA ARG 11 HA ARG 11 -0.184 -5.067 5.662 49 HB2 ARG 11 1HB ARG 11 -0.591 -4.506 8.144 50 HB3 ARG 11 2HB ARG 11 -2.292 -4.776 7.787 51 HG2 ARG 11 1HG ARG 11 -1.409 -7.039 6.806 52 HG3 ARG 11 2HG ARG 11 -0.039 -6.717 7.872 53 HD2 ARG 11 1HD ARG 11 -1.832 -6.311 9.681 54 HD3 ARG 11 2HD ARG 11 -2.920 -7.151 8.577 55 HE ARG 11 HE ARG 11 -0.488 -8.585 9.096 56 HH11 ARG 11 2HH1 ARG 11 -3.713 -7.930 10.231 57 HH12 ARG 11 1HH1 ARG 11 -3.841 -9.411 11.120 58 HH21 ARG 11 2HH2 ARG 11 -0.645 -10.539 10.263 59 HH22 ARG 11 1HH2 ARG 11 -2.095 -10.894 11.138 60 H ALA 12 H ALA 12 -1.293 -6.500 4.440 61 HA ALA 12 HA ALA 12 -3.707 -5.576 3.156 62 HB1 ALA 12 1HB ALA 12 -3.469 -7.557 1.747 63 HB2 ALA 12 2HB ALA 12 -1.955 -6.656 1.845 64 HB3 ALA 12 3HB ALA 12 -2.161 -8.138 2.777 65 H LEU 13 H LEU 13 -5.739 -6.429 3.326 66 HA LEU 13 HA LEU 13 -6.186 -8.213 5.611 67 HB2 LEU 13 1HB LEU 13 -8.101 -6.427 4.118 68 HB3 LEU 13 2HB LEU 13 -8.516 -7.430 5.506 69 HG LEU 13 HG LEU 13 -6.437 -5.268 5.682 70 HD11 LEU 13 1HD1 LEU 13 -8.618 -4.357 4.847 71 HD12 LEU 13 2HD1 LEU 13 -8.087 -3.715 6.401 72 HD13 LEU 13 3HD1 LEU 13 -9.356 -4.938 6.340 73 HD21 LEU 13 1HD2 LEU 13 -7.778 -5.511 8.074 74 HD22 LEU 13 2HD2 LEU 13 -6.212 -6.224 7.685 75 HD23 LEU 13 3HD2 LEU 13 -7.686 -7.174 7.491 76 H TYR 14 H TYR 14 -6.443 -8.021 2.179 77 HA TYR 14 HA TYR 14 -7.410 -10.777 2.112 78 HB2 TYR 14 1HB TYR 14 -8.711 -8.468 0.668 79 HB3 TYR 14 2HB TYR 14 -8.953 -10.147 0.200 80 HD1 TYR 14 1HD TYR 14 -9.172 -7.958 3.221 81 HD2 TYR 14 2HD TYR 14 -10.753 -11.288 1.096 82 HE1 TYR 14 1HE TYR 14 -10.978 -8.152 4.880 83 HE2 TYR 14 2HE TYR 14 -12.563 -11.491 2.748 84 HH TYR 14 HH TYR 14 -12.576 -10.442 5.599 85 H ASP 15 H ASP 15 -7.504 -11.385 -0.420 86 HA ASP 15 HA ASP 15 -4.816 -10.756 -1.410 87 HB2 ASP 15 1HB ASP 15 -4.814 -12.823 -2.509 88 HB3 ASP 15 2HB ASP 15 -5.665 -13.163 -1.005 89 H PHE 16 H PHE 16 -4.441 -9.992 -3.463 90 HA PHE 16 HA PHE 16 -6.730 -9.471 -5.202 91 HB2 PHE 16 1HB PHE 16 -6.604 -7.426 -3.955 92 HB3 PHE 16 2HB PHE 16 -4.856 -7.348 -4.151 93 HD1 PHE 16 2HD PHE 16 -7.958 -7.464 -6.216 94 HD2 PHE 16 1HD PHE 16 -3.999 -5.966 -5.771 95 HE1 PHE 16 2HE PHE 16 -8.251 -6.099 -8.241 96 HE2 PHE 16 1HE PHE 16 -4.286 -4.597 -7.796 97 HZ PHE 16 HZ PHE 16 -6.414 -4.664 -9.034 98 H GLU 17 H GLU 17 -6.266 -9.905 -7.259 99 HA GLU 17 HA GLU 17 -3.435 -10.206 -8.000 100 HB2 GLU 17 1HB GLU 17 -4.994 -12.206 -8.131 101 HB3 GLU 17 2HB GLU 17 -5.807 -11.375 -9.450 102 HG2 GLU 17 1HG GLU 17 -2.884 -12.084 -9.436 103 HG3 GLU 17 2HG GLU 17 -4.147 -13.060 -10.183 104 HA PRO 18 HA PRO 18 -3.839 -6.713 -10.671 105 HB2 PRO 18 1HB PRO 18 -1.616 -7.138 -12.170 106 HB3 PRO 18 2HB PRO 18 -1.554 -6.532 -10.511 107 HG2 PRO 18 1HG PRO 18 -1.130 -9.315 -11.527 108 HG3 PRO 18 2HG PRO 18 -0.213 -8.420 -10.303 109 HD2 PRO 18 1HD PRO 18 -2.078 -10.273 -9.658 110 HD3 PRO 18 2HD PRO 18 -1.760 -8.848 -8.649 111 H GLU 19 H GLU 19 -5.291 -6.609 -12.259 112 HA GLU 19 HA GLU 19 -5.592 -8.791 -14.143 113 HB2 GLU 19 1HB GLU 19 -7.537 -7.595 -13.082 114 HB3 GLU 19 2HB GLU 19 -7.118 -6.187 -14.047 115 HG2 GLU 19 1HG GLU 19 -7.615 -8.831 -15.348 116 HG3 GLU 19 2HG GLU 19 -8.956 -7.785 -14.883 117 H ASN 20 H ASN 20 -4.650 -5.385 -14.181 118 HA ASN 20 HA ASN 20 -3.709 -5.753 -16.950 119 HB2 ASN 20 1HB ASN 20 -3.888 -3.137 -16.936 120 HB3 ASN 20 2HB ASN 20 -5.330 -4.114 -17.193 121 HD21 ASN 20 1HD2 ASN 20 -3.606 -2.070 -14.981 122 HD22 ASN 20 2HD2 ASN 20 -4.911 -1.820 -13.877 123 H GLU 21 H GLU 21 -1.694 -4.915 -17.513 124 HA GLU 21 HA GLU 21 0.388 -5.177 -15.773 125 HB2 GLU 21 1HB GLU 21 0.403 -4.815 -18.328 126 HB3 GLU 21 2HB GLU 21 0.483 -3.101 -17.946 127 HG2 GLU 21 1HG GLU 21 2.685 -4.101 -18.396 128 HG3 GLU 21 2HG GLU 21 2.560 -3.397 -16.785 129 H GLY 22 H GLY 22 1.683 -3.789 -14.537 130 HA2 GLY 22 1HA GLY 22 2.245 -1.690 -13.578 131 HA3 GLY 22 2HA GLY 22 0.671 -1.077 -14.066 132 H GLU 23 H GLU 23 -1.034 -2.958 -13.036 133 HA GLU 23 HA GLU 23 -1.338 -2.149 -10.395 134 HB2 GLU 23 1HB GLU 23 -2.409 -4.578 -11.831 135 HB3 GLU 23 2HB GLU 23 -2.909 -4.118 -10.210 136 HG2 GLU 23 1HG GLU 23 -3.142 -2.247 -12.541 137 HG3 GLU 23 2HG GLU 23 -4.401 -3.411 -12.135 138 H LEU 24 H LEU 24 -0.629 -2.868 -8.466 139 HA LEU 24 HA LEU 24 1.324 -5.057 -8.496 140 HB2 LEU 24 1HB LEU 24 2.192 -2.979 -7.665 141 HB3 LEU 24 2HB LEU 24 0.846 -2.817 -6.539 142 HG LEU 24 HG LEU 24 1.796 -5.050 -5.551 143 HD11 LEU 24 1HD1 LEU 24 3.728 -5.774 -6.356 144 HD12 LEU 24 2HD1 LEU 24 4.481 -4.220 -6.003 145 HD13 LEU 24 3HD1 LEU 24 3.701 -4.486 -7.561 146 HD21 LEU 24 1HD2 LEU 24 3.583 -3.420 -4.373 147 HD22 LEU 24 2HD2 LEU 24 1.858 -3.407 -4.006 148 HD23 LEU 24 3HD2 LEU 24 2.530 -2.225 -5.131 149 H GLY 25 H GLY 25 0.604 -6.977 -7.866 150 HA2 GLY 25 1HA GLY 25 -1.826 -7.256 -6.347 151 HA3 GLY 25 2HA GLY 25 -0.796 -8.560 -6.920 152 H PHE 26 H PHE 26 -2.085 -8.143 -4.300 153 HA PHE 26 HA PHE 26 0.343 -8.358 -2.658 154 HB2 PHE 26 1HB PHE 26 -0.963 -7.270 -0.790 155 HB3 PHE 26 2HB PHE 26 -0.526 -6.200 -2.118 156 HD1 PHE 26 1HD PHE 26 -3.329 -8.514 -1.256 157 HD2 PHE 26 2HD PHE 26 -2.140 -4.714 -2.761 158 HE1 PHE 26 1HE PHE 26 -5.692 -7.881 -1.514 159 HE2 PHE 26 2HE PHE 26 -4.501 -4.075 -3.020 160 HZ PHE 26 HZ PHE 26 -6.281 -5.658 -2.396 161 H LYS 27 H LYS 27 -0.228 -9.362 -0.455 162 HA LYS 27 HA LYS 27 -2.312 -11.412 -0.767 163 HB2 LYS 27 1HB LYS 27 0.218 -12.092 -1.165 164 HB3 LYS 27 2HB LYS 27 0.245 -12.133 0.593 165 HG2 LYS 27 1HG LYS 27 -1.938 -13.568 -0.827 166 HG3 LYS 27 2HG LYS 27 -0.319 -14.273 -0.818 167 HD2 LYS 27 1HD LYS 27 -0.305 -14.106 1.651 168 HD3 LYS 27 2HD LYS 27 -1.963 -13.502 1.594 169 HE2 LYS 27 1HE LYS 27 -2.440 -15.670 0.256 170 HE3 LYS 27 2HE LYS 27 -0.915 -16.231 0.940 171 HZ1 LYS 27 1HZ LYS 27 -2.272 -16.915 2.584 172 HZ2 LYS 27 2HZ LYS 27 -3.476 -15.778 2.239 173 HZ3 LYS 27 3HZ LYS 27 -2.109 -15.320 3.124 174 H GLU 28 H GLU 28 -3.345 -12.060 1.109 175 HA GLU 28 HA GLU 28 -3.752 -10.242 3.120 176 HB2 GLU 28 1HB GLU 28 -5.288 -12.052 2.829 177 HB3 GLU 28 2HB GLU 28 -4.039 -13.245 3.159 178 HG2 GLU 28 1HG GLU 28 -3.896 -12.097 5.473 179 HG3 GLU 28 2HG GLU 28 -5.482 -11.449 5.058 180 H GLY 29 H GLY 29 -2.572 -9.506 4.756 181 HA2 GLY 29 1HA GLY 29 -1.235 -9.743 6.691 182 HA3 GLY 29 2HA GLY 29 -0.665 -11.289 6.079 183 H ASP 30 H ASP 30 0.060 -10.399 3.473 184 HA ASP 30 HA ASP 30 2.701 -9.674 3.847 185 HB2 ASP 30 1HB ASP 30 0.897 -9.300 1.454 186 HB3 ASP 30 2HB ASP 30 2.628 -8.976 1.412 187 H ILE 31 H ILE 31 3.637 -7.864 4.501 188 HA ILE 31 HA ILE 31 2.104 -5.408 4.656 189 HB ILE 31 HB ILE 31 4.969 -5.857 5.489 190 HG12 ILE 31 1HG1 ILE 31 3.179 -7.384 6.546 191 HG13 ILE 31 2HG1 ILE 31 4.244 -6.495 7.629 192 HG21 ILE 31 1HG2 ILE 31 2.941 -3.757 6.238 193 HG22 ILE 31 2HG2 ILE 31 4.533 -3.933 6.973 194 HG23 ILE 31 3HG2 ILE 31 4.392 -3.523 5.264 195 HD11 ILE 31 1HD1 ILE 31 1.423 -5.751 6.897 196 HD12 ILE 31 2HD1 ILE 31 1.972 -6.424 8.433 197 HD13 ILE 31 3HD1 ILE 31 2.489 -4.812 7.941 198 H ILE 32 H ILE 32 2.108 -3.918 3.120 199 HA ILE 32 HA ILE 32 4.256 -3.937 1.124 200 HB ILE 32 HB ILE 32 1.580 -2.540 1.023 201 HG12 ILE 32 1HG1 ILE 32 2.312 -4.853 -0.720 202 HG13 ILE 32 2HG1 ILE 32 1.816 -5.177 0.937 203 HG21 ILE 32 1HG2 ILE 32 2.394 -2.712 -1.535 204 HG22 ILE 32 2HG2 ILE 32 2.700 -1.316 -0.504 205 HG23 ILE 32 3HG2 ILE 32 3.951 -2.538 -0.726 206 HD11 ILE 32 1HD1 ILE 32 -0.092 -3.411 -0.016 207 HD12 ILE 32 2HD1 ILE 32 0.222 -4.501 -1.366 208 HD13 ILE 32 3HD1 ILE 32 -0.268 -5.152 0.197 209 H THR 33 H THR 33 5.849 -2.534 1.389 210 HA THR 33 HA THR 33 5.981 -0.503 3.256 211 HB THR 33 HB THR 33 7.450 -0.346 0.630 212 HG1 THR 33 1HG THR 33 9.019 -1.716 1.883 213 HG21 THR 33 1HG2 THR 33 9.234 0.582 2.009 214 HG22 THR 33 2HG2 THR 33 8.255 0.349 3.458 215 HG23 THR 33 3HG2 THR 33 7.746 1.503 2.226 216 H LEU 34 H LEU 34 6.019 1.818 3.009 217 HA LEU 34 HA LEU 34 4.226 2.782 0.879 218 HB2 LEU 34 1HB LEU 34 4.356 3.592 3.775 219 HB3 LEU 34 2HB LEU 34 3.486 4.510 2.547 220 HG LEU 34 HG LEU 34 2.877 1.660 3.332 221 HD11 LEU 34 1HD1 LEU 34 0.852 3.648 3.900 222 HD12 LEU 34 2HD1 LEU 34 2.350 3.966 4.774 223 HD13 LEU 34 3HD1 LEU 34 1.544 2.407 4.946 224 HD21 LEU 34 1HD2 LEU 34 1.969 1.733 1.261 225 HD22 LEU 34 2HD2 LEU 34 1.882 3.494 1.238 226 HD23 LEU 34 3HD2 LEU 34 0.668 2.562 2.116 227 H THR 35 H THR 35 4.889 4.499 -0.272 228 HA THR 35 HA THR 35 7.264 5.963 0.680 229 HB THR 35 HB THR 35 8.017 6.174 -1.653 230 HG1 THR 35 1HG THR 35 6.965 4.967 -3.265 231 HG21 THR 35 1HG2 THR 35 9.222 4.425 -0.902 232 HG22 THR 35 2HG2 THR 35 8.167 3.467 -1.942 233 HG23 THR 35 3HG2 THR 35 7.809 3.620 -0.222 234 H ASN 36 H ASN 36 4.607 6.123 -1.697 235 HA ASN 36 HA ASN 36 3.930 8.787 -0.793 236 HB2 ASN 36 1HB ASN 36 5.790 8.875 -2.639 237 HB3 ASN 36 2HB ASN 36 4.456 8.517 -3.732 238 HD21 ASN 36 1HD2 ASN 36 5.817 10.832 -1.527 239 HD22 ASN 36 2HD2 ASN 36 4.842 12.172 -2.015 240 H GLN 37 H GLN 37 2.065 9.655 -2.249 241 HA GLN 37 HA GLN 37 0.321 7.407 -3.006 242 HB2 GLN 37 1HB GLN 37 -0.409 8.234 -0.848 243 HB3 GLN 37 2HB GLN 37 -0.433 9.885 -1.451 244 HG2 GLN 37 1HG GLN 37 -2.120 8.825 -3.197 245 HG3 GLN 37 2HG GLN 37 -2.359 7.677 -1.880 246 HE21 GLN 37 1HE2 GLN 37 -4.467 8.365 -1.539 247 HE22 GLN 37 2HE2 GLN 37 -4.833 9.880 -0.792 248 H ILE 38 H ILE 38 -0.693 7.586 -4.915 249 HA ILE 38 HA ILE 38 -0.315 10.086 -6.411 250 HB ILE 38 HB ILE 38 -0.831 7.270 -7.362 251 HG12 ILE 38 1HG1 ILE 38 1.384 8.042 -8.642 252 HG13 ILE 38 2HG1 ILE 38 1.525 9.087 -7.233 253 HG21 ILE 38 1HG2 ILE 38 -0.871 9.872 -8.855 254 HG22 ILE 38 2HG2 ILE 38 -0.503 8.347 -9.658 255 HG23 ILE 38 3HG2 ILE 38 -2.063 8.572 -8.867 256 HD11 ILE 38 1HD1 ILE 38 0.984 6.196 -6.812 257 HD12 ILE 38 2HD1 ILE 38 2.609 6.706 -7.273 258 HD13 ILE 38 3HD1 ILE 38 1.869 7.342 -5.805 259 H ASP 39 H ASP 39 -2.742 7.598 -5.695 260 HA ASP 39 HA ASP 39 -4.835 9.431 -6.644 261 HB2 ASP 39 1HB ASP 39 -5.324 6.557 -5.927 262 HB3 ASP 39 2HB ASP 39 -6.207 7.585 -7.052 263 H GLU 40 H GLU 40 -7.000 8.959 -5.361 264 HA GLU 40 HA GLU 40 -6.417 9.702 -2.619 265 HB2 GLU 40 1HB GLU 40 -9.010 9.549 -4.163 266 HB3 GLU 40 2HB GLU 40 -8.891 10.069 -2.488 267 HG2 GLU 40 1HG GLU 40 -7.607 11.406 -4.858 268 HG3 GLU 40 2HG GLU 40 -9.027 11.972 -3.980 269 H ASN 41 H ASN 41 -7.077 6.868 -4.305 270 HA ASN 41 HA ASN 41 -7.803 5.504 -1.800 271 HB2 ASN 41 1HB ASN 41 -9.062 5.295 -4.500 272 HB3 ASN 41 2HB ASN 41 -8.969 3.844 -3.506 273 HD21 ASN 41 1HD2 ASN 41 -10.911 6.305 -4.326 274 HD22 ASN 41 2HD2 ASN 41 -11.892 6.411 -2.908 275 H TRP 42 H TRP 42 -5.392 5.954 -3.824 276 HA TRP 42 HA TRP 42 -4.492 3.151 -3.689 277 HB2 TRP 42 1HB TRP 42 -3.868 5.191 -5.835 278 HB3 TRP 42 2HB TRP 42 -3.152 3.585 -5.730 279 HD1 TRP 42 HD TRP 42 -6.709 5.120 -6.047 280 HE1 TRP 42 1HE TRP 42 -8.111 3.554 -7.532 281 HE3 TRP 42 3HE TRP 42 -3.262 1.421 -6.808 282 HZ2 TRP 42 2HZ TRP 42 -7.798 1.079 -8.852 283 HZ3 TRP 42 3HZ TRP 42 -3.894 -0.512 -8.194 284 HH2 TRP 42 HH TRP 42 -6.115 -0.678 -9.193 285 H TYR 43 H TYR 43 -2.068 2.958 -3.709 286 HA TYR 43 HA TYR 43 -0.746 5.240 -2.423 287 HB2 TYR 43 1HB TYR 43 -1.170 2.516 -1.298 288 HB3 TYR 43 2HB TYR 43 0.386 3.285 -1.001 289 HD1 TYR 43 2HD TYR 43 -0.357 6.098 -0.659 290 HD2 TYR 43 1HD TYR 43 -2.306 2.579 0.728 291 HE1 TYR 43 2HE TYR 43 -1.341 7.380 1.195 292 HE2 TYR 43 1HE TYR 43 -3.296 3.852 2.585 293 HH TYR 43 HH TYR 43 -3.608 5.879 3.468 294 H GLU 44 H GLU 44 1.683 4.773 -2.203 295 HA GLU 44 HA GLU 44 2.623 3.279 -4.561 296 HB2 GLU 44 1HB GLU 44 2.610 5.917 -4.599 297 HB3 GLU 44 2HB GLU 44 4.070 5.726 -3.639 298 HG2 GLU 44 1HG GLU 44 4.945 4.233 -5.459 299 HG3 GLU 44 2HG GLU 44 3.561 4.734 -6.428 300 H GLY 45 H GLY 45 3.844 1.632 -3.934 301 HA2 GLY 45 1HA GLY 45 5.940 2.072 -1.957 302 HA3 GLY 45 2HA GLY 45 4.731 0.865 -1.547 303 H MET 46 H MET 46 6.945 -0.310 -1.524 304 HA MET 46 HA MET 46 7.448 -1.409 -4.211 305 HB2 MET 46 1HB MET 46 9.250 -0.807 -1.918 306 HB3 MET 46 2HB MET 46 9.634 -2.202 -2.917 307 HG2 MET 46 1HG MET 46 9.509 -0.665 -4.907 308 HG3 MET 46 2HG MET 46 9.431 0.671 -3.762 309 HE1 MET 46 1HE MET 46 11.313 1.064 -1.889 310 HE2 MET 46 2HE MET 46 11.381 -0.641 -1.440 311 HE3 MET 46 3HE MET 46 12.862 0.220 -1.863 312 H LEU 47 H LEU 47 7.130 -3.528 -4.547 313 HA LEU 47 HA LEU 47 7.037 -5.377 -2.303 314 HB2 LEU 47 1HB LEU 47 4.724 -4.357 -2.745 315 HB3 LEU 47 2HB LEU 47 4.735 -5.313 -4.227 316 HG LEU 47 HG LEU 47 4.946 -7.363 -2.870 317 HD11 LEU 47 1HD1 LEU 47 5.944 -6.865 -0.874 318 HD12 LEU 47 2HD1 LEU 47 4.254 -6.914 -0.374 319 HD13 LEU 47 3HD1 LEU 47 5.042 -5.364 -0.668 320 HD21 LEU 47 1HD2 LEU 47 2.746 -7.289 -3.232 321 HD22 LEU 47 2HD2 LEU 47 2.666 -5.555 -2.920 322 HD23 LEU 47 3HD2 LEU 47 2.607 -6.697 -1.577 323 H HIS 48 H HIS 48 7.981 -7.236 -2.834 324 HA HIS 48 HA HIS 48 8.947 -8.899 -4.048 325 HB2 HIS 48 1HB HIS 48 6.549 -8.186 -5.674 326 HB3 HIS 48 2HB HIS 48 7.754 -9.248 -6.396 327 HD1 HIS 48 1HD HIS 48 8.021 -11.609 -5.369 328 HD2 HIS 48 2HD HIS 48 5.043 -9.311 -3.606 329 HE1 HIS 48 1HE HIS 48 6.673 -13.210 -3.974 330 HE2 HIS 48 2HE HIS 48 4.826 -11.813 -2.985 331 H GLY 49 H GLY 49 10.211 -6.433 -4.159 332 HA2 GLY 49 1HA GLY 49 11.900 -5.382 -5.304 333 HA3 GLY 49 2HA GLY 49 11.911 -6.769 -6.384 334 H HIS 50 H HIS 50 8.900 -5.191 -6.115 335 HA HIS 50 HA HIS 50 9.408 -3.726 -8.621 336 HB2 HIS 50 1HB HIS 50 6.872 -5.190 -7.859 337 HB3 HIS 50 2HB HIS 50 7.135 -4.283 -9.346 338 HD1 HIS 50 1HD HIS 50 9.689 -5.311 -10.424 339 HD2 HIS 50 2HD HIS 50 6.962 -7.801 -8.518 340 HE1 HIS 50 1HE HIS 50 10.205 -7.630 -11.249 341 HE2 HIS 50 2HE HIS 50 8.488 -9.108 -10.147 342 H SER 51 H SER 51 7.560 -2.094 -9.031 343 HA SER 51 HA SER 51 6.627 -0.874 -6.538 344 HB2 SER 51 1HB SER 51 8.657 0.326 -6.926 345 HB3 SER 51 2HB SER 51 8.303 0.498 -8.645 346 HG SER 51 HG SER 51 6.816 1.663 -6.524 347 H GLY 52 H GLY 52 4.506 -0.628 -6.724 348 HA2 GLY 52 1HA GLY 52 3.407 0.552 -9.156 349 HA3 GLY 52 2HA GLY 52 2.821 -1.049 -8.729 350 H PHE 53 H PHE 53 0.883 0.653 -8.878 351 HA PHE 53 HA PHE 53 0.428 1.794 -6.213 352 HB2 PHE 53 1HB PHE 53 -1.468 2.236 -8.477 353 HB3 PHE 53 2HB PHE 53 -1.018 3.320 -7.165 354 HD1 PHE 53 2HD PHE 53 1.713 3.761 -7.251 355 HD2 PHE 53 1HD PHE 53 -0.881 3.012 -10.541 356 HE1 PHE 53 2HE PHE 53 3.283 4.921 -8.748 357 HE2 PHE 53 1HE PHE 53 0.686 4.170 -12.044 358 HZ PHE 53 HZ PHE 53 2.770 5.128 -11.148 359 H PHE 54 H PHE 54 -0.949 0.877 -4.836 360 HA PHE 54 HA PHE 54 -2.822 -1.145 -5.878 361 HB2 PHE 54 1HB PHE 54 -2.557 -2.199 -3.553 362 HB3 PHE 54 2HB PHE 54 -1.220 -2.389 -4.682 363 HD1 PHE 54 1HD PHE 54 0.624 -0.514 -4.521 364 HD2 PHE 54 2HD PHE 54 -2.097 -1.525 -1.408 365 HE1 PHE 54 1HE PHE 54 2.162 0.460 -2.866 366 HE2 PHE 54 2HE PHE 54 -0.564 -0.551 0.252 367 HZ PHE 54 HZ PHE 54 1.568 0.444 -0.476 368 HA PRO 55 HA PRO 55 -6.117 1.020 -3.953 369 HB2 PRO 55 1HB PRO 55 -7.743 -1.023 -3.209 370 HB3 PRO 55 2HB PRO 55 -7.531 -0.528 -4.892 371 HG2 PRO 55 1HG PRO 55 -6.252 -2.791 -3.407 372 HG3 PRO 55 2HG PRO 55 -6.924 -2.768 -5.048 373 HD2 PRO 55 1HD PRO 55 -4.267 -2.587 -4.559 374 HD3 PRO 55 2HD PRO 55 -5.041 -1.784 -5.941 375 H ILE 56 H ILE 56 -6.963 1.640 -1.961 376 HA ILE 56 HA ILE 56 -5.473 0.655 0.354 377 HB ILE 56 HB ILE 56 -7.285 3.063 0.161 378 HG12 ILE 56 1HG1 ILE 56 -4.265 3.028 0.168 379 HG13 ILE 56 2HG1 ILE 56 -5.218 3.096 -1.310 380 HG21 ILE 56 1HG2 ILE 56 -5.926 3.723 2.219 381 HG22 ILE 56 2HG2 ILE 56 -7.145 2.466 2.422 382 HG23 ILE 56 3HG2 ILE 56 -5.442 2.028 2.292 383 HD11 ILE 56 1HD1 ILE 56 -6.241 5.190 -0.508 384 HD12 ILE 56 2HD1 ILE 56 -5.185 5.131 0.903 385 HD13 ILE 56 3HD1 ILE 56 -4.493 5.303 -0.710 386 H ASN 57 H ASN 57 -8.528 0.370 -1.095 387 HA ASN 57 HA ASN 57 -10.088 -0.014 1.267 388 HB2 ASN 57 1HB ASN 57 -10.740 -1.084 -1.478 389 HB3 ASN 57 2HB ASN 57 -11.859 -0.648 -0.190 390 HD21 ASN 57 1HD2 ASN 57 -12.704 1.320 -0.200 391 HD22 ASN 57 2HD2 ASN 57 -12.179 2.631 -1.196 392 H TYR 58 H TYR 58 -7.614 -1.779 0.096 393 HA TYR 58 HA TYR 58 -8.774 -4.332 1.005 394 HB2 TYR 58 1HB TYR 58 -6.842 -3.674 -1.169 395 HB3 TYR 58 2HB TYR 58 -6.636 -5.200 -0.317 396 HD1 TYR 58 2HD TYR 58 -9.283 -6.189 0.132 397 HD2 TYR 58 1HD TYR 58 -7.783 -4.068 -3.238 398 HE1 TYR 58 2HE TYR 58 -11.019 -7.213 -1.278 399 HE2 TYR 58 1HE TYR 58 -9.516 -5.086 -4.657 400 HH TYR 58 HH TYR 58 -11.071 -7.668 -4.094 401 H VAL 59 H VAL 59 -6.135 -2.071 1.296 402 HA VAL 59 HA VAL 59 -4.944 -3.740 3.411 403 HB VAL 59 HB VAL 59 -2.867 -2.563 3.089 404 HG11 VAL 59 1HG1 VAL 59 -3.356 -2.970 0.254 405 HG12 VAL 59 2HG1 VAL 59 -2.294 -3.848 1.357 406 HG13 VAL 59 3HG1 VAL 59 -4.001 -4.278 1.246 407 HG21 VAL 59 1HG2 VAL 59 -4.456 -0.852 1.194 408 HG22 VAL 59 2HG2 VAL 59 -3.544 -0.349 2.617 409 HG23 VAL 59 3HG2 VAL 59 -2.694 -0.908 1.177 410 H GLU 60 H GLU 60 -4.071 -2.600 5.287 411 HA GLU 60 HA GLU 60 -5.680 -0.222 5.944 412 HB2 GLU 60 1HB GLU 60 -5.638 -0.922 8.258 413 HB3 GLU 60 2HB GLU 60 -6.230 -2.246 7.263 414 HG2 GLU 60 1HG GLU 60 -3.786 -3.061 7.285 415 HG3 GLU 60 2HG GLU 60 -3.601 -1.969 8.656 416 H ILE 61 H ILE 61 -4.717 1.449 7.152 417 HA ILE 61 HA ILE 61 -1.809 1.592 6.818 418 HB ILE 61 HB ILE 61 -3.879 3.739 7.264 419 HG12 ILE 61 1HG1 ILE 61 -3.675 2.811 4.974 420 HG13 ILE 61 2HG1 ILE 61 -3.205 4.505 5.057 421 HG21 ILE 61 1HG2 ILE 61 -1.120 3.759 7.987 422 HG22 ILE 61 2HG2 ILE 61 -1.372 4.878 6.648 423 HG23 ILE 61 3HG2 ILE 61 -2.313 5.050 8.129 424 HD11 ILE 61 1HD1 ILE 61 -0.859 3.053 5.484 425 HD12 ILE 61 2HD1 ILE 61 -1.701 2.238 4.165 426 HD13 ILE 61 3HD1 ILE 61 -1.323 3.956 4.042 427 H LEU 62 H LEU 62 -0.670 0.992 8.537 428 HA LEU 62 HA LEU 62 -1.767 1.241 11.212 429 HB2 LEU 62 1HB LEU 62 0.980 0.266 10.488 430 HB3 LEU 62 2HB LEU 62 0.041 -0.091 11.936 431 HG LEU 62 HG LEU 62 -0.608 -1.079 9.159 432 HD11 LEU 62 1HD1 LEU 62 1.492 -1.943 10.488 433 HD12 LEU 62 2HD1 LEU 62 0.427 -3.060 9.634 434 HD13 LEU 62 3HD1 LEU 62 0.271 -2.853 11.379 435 HD21 LEU 62 1HD2 LEU 62 -2.190 -2.544 10.340 436 HD22 LEU 62 2HD2 LEU 62 -2.587 -0.837 10.539 437 HD23 LEU 62 3HD2 LEU 62 -1.807 -1.721 11.852 438 H VAL 63 H VAL 63 0.879 2.578 9.293 439 HA VAL 63 HA VAL 63 1.333 4.562 11.427 440 HB VAL 63 HB VAL 63 3.268 3.396 9.432 441 HG11 VAL 63 1HG1 VAL 63 4.844 5.048 10.778 442 HG12 VAL 63 2HG1 VAL 63 4.000 5.553 9.313 443 HG13 VAL 63 3HG1 VAL 63 3.351 5.977 10.898 444 HG21 VAL 63 1HG2 VAL 63 4.046 2.194 11.138 445 HG22 VAL 63 2HG2 VAL 63 4.125 3.610 12.187 446 HG23 VAL 63 3HG2 VAL 63 2.620 2.701 12.044 447 H ALA 64 H ALA 64 0.378 6.415 10.905 448 HA ALA 64 HA ALA 64 -0.439 7.186 8.345 449 HB1 ALA 64 1HB ALA 64 -1.315 8.091 10.496 450 HB2 ALA 64 2HB ALA 64 0.162 9.045 10.639 451 HB3 ALA 64 3HB ALA 64 -0.941 9.325 9.292 452 H LEU 65 H LEU 65 0.647 7.933 6.652 453 HA LEU 65 HA LEU 65 3.382 8.168 6.477 454 HB2 LEU 65 1HB LEU 65 1.172 9.412 4.874 455 HB3 LEU 65 2HB LEU 65 2.866 9.686 4.472 456 HG LEU 65 HG LEU 65 1.849 6.887 4.706 457 HD11 LEU 65 1HD1 LEU 65 0.231 7.505 3.223 458 HD12 LEU 65 2HD1 LEU 65 1.561 7.208 2.103 459 HD13 LEU 65 3HD1 LEU 65 1.170 8.857 2.588 460 HD21 LEU 65 1HD2 LEU 65 3.812 8.032 2.748 461 HD22 LEU 65 2HD2 LEU 65 3.644 6.367 3.305 462 HD23 LEU 65 3HD2 LEU 65 4.291 7.599 4.390 463 HA PRO 66 HA PRO 66 4.547 11.961 8.361 464 HB2 PRO 66 1HB PRO 66 6.682 12.648 6.831 465 HB3 PRO 66 2HB PRO 66 6.725 11.323 8.000 466 HG2 PRO 66 1HG PRO 66 6.341 11.219 5.033 467 HG3 PRO 66 2HG PRO 66 7.336 10.180 6.070 468 HD2 PRO 66 1HD PRO 66 4.900 9.426 5.159 469 HD3 PRO 66 2HD PRO 66 5.535 8.903 6.733 470 H HIS 67 H HIS 67 2.854 13.375 7.954 471 HA HIS 67 HA HIS 67 2.540 14.647 5.392 472 HB2 HIS 67 1HB HIS 67 0.840 16.045 6.672 473 HB3 HIS 67 2HB HIS 67 0.528 14.313 6.600 474 HD1 HIS 67 1HD HIS 67 1.581 17.022 8.975 475 HD2 HIS 67 2HD HIS 67 0.565 12.994 9.043 476 HE1 HIS 67 1HE HIS 67 1.317 16.436 11.406 477 HE2 HIS 67 2HE HIS 67 0.786 13.974 11.427 478 H SER 68 H SER 68 4.149 15.981 4.803 479 HA SER 68 HA SER 68 5.110 17.955 6.761 480 HB2 SER 68 1HB SER 68 6.398 17.069 4.168 481 HB3 SER 68 2HB SER 68 7.090 18.190 5.339 482 HG SER 68 HG SER 68 7.926 16.423 6.130 483 H GLY 69 H GLY 69 5.736 20.102 5.788 484 HA2 GLY 69 1HA GLY 69 5.209 21.408 3.620 485 HA3 GLY 69 2HA GLY 69 3.553 20.975 4.019 486 HA PRO 70 HA PRO 70 5.232 24.831 6.375 487 HB2 PRO 70 1HB PRO 70 4.674 26.821 4.614 488 HB3 PRO 70 2HB PRO 70 6.240 26.005 4.676 489 HG2 PRO 70 1HG PRO 70 3.939 25.547 2.817 490 HG3 PRO 70 2HG PRO 70 5.673 25.624 2.453 491 HD2 PRO 70 1HD PRO 70 4.335 23.281 2.688 492 HD3 PRO 70 2HD PRO 70 6.042 23.456 3.146 493 H SER 71 H SER 71 2.518 24.684 4.077 494 HA SER 71 HA SER 71 0.588 24.973 6.161 495 HB2 SER 71 1HB SER 71 1.362 27.347 4.532 496 HB3 SER 71 2HB SER 71 -0.350 27.118 4.887 497 HG SER 71 HG SER 71 1.467 26.858 6.990 498 H SER 72 H SER 72 -1.237 23.994 5.555 499 HA SER 72 HA SER 72 -1.481 22.639 3.140 500 HB2 SER 72 1HB SER 72 -3.552 23.441 5.186 501 HB3 SER 72 2HB SER 72 -3.936 22.433 3.790 502 HG SER 72 HG SER 72 -3.338 20.891 5.104 503 H GLY 73 H GLY 73 -1.286 23.814 1.291 504 HA2 GLY 73 1HA GLY 73 -1.822 25.297 -0.382 505 HA3 GLY 73 2HA GLY 73 -3.480 25.004 0.121 Start of MODEL 13 1 H1 GLY 1 H GLY 1 6.815 -1.252 19.659 2 HA2 GLY 1 1HA GLY 1 6.160 1.138 20.325 3 HA3 GLY 1 2HA GLY 1 7.801 1.520 19.825 4 H SER 2 H SER 2 4.929 2.119 18.829 5 HA SER 2 HA SER 2 4.533 1.002 16.317 6 HB2 SER 2 1HB SER 2 3.269 3.128 15.814 7 HB3 SER 2 2HB SER 2 2.793 2.324 17.309 8 HG SER 2 HG SER 2 3.529 3.959 18.429 9 H SER 3 H SER 3 6.232 4.021 17.141 10 HA SER 3 HA SER 3 7.095 4.489 14.461 11 HB2 SER 3 1HB SER 3 6.868 6.395 15.886 12 HB3 SER 3 2HB SER 3 7.918 5.684 17.111 13 HG SER 3 HG SER 3 8.723 7.330 15.395 14 H GLY 4 H GLY 4 8.704 3.530 13.417 15 HA2 GLY 4 1HA GLY 4 10.999 2.533 14.971 16 HA3 GLY 4 2HA GLY 4 10.196 1.475 13.820 17 H SER 5 H SER 5 12.136 1.245 12.642 18 HA SER 5 HA SER 5 13.221 3.638 11.369 19 HB2 SER 5 1HB SER 5 15.052 2.229 10.645 20 HB3 SER 5 2HB SER 5 14.753 1.927 12.357 21 HG SER 5 HG SER 5 14.578 -0.079 11.778 22 H SER 6 H SER 6 11.649 0.586 10.539 23 HA SER 6 HA SER 6 11.805 0.525 7.827 24 HB2 SER 6 1HB SER 6 10.605 -1.158 9.177 25 HB3 SER 6 2HB SER 6 9.295 -0.006 9.436 26 HG SER 6 HG SER 6 10.068 -0.545 6.808 27 H GLY 7 H GLY 7 9.281 2.275 9.647 28 HA2 GLY 7 1HA GLY 7 8.734 4.557 9.019 29 HA3 GLY 7 2HA GLY 7 9.068 4.117 7.351 30 HA PRO 8 HA PRO 8 4.492 4.012 7.867 31 HB2 PRO 8 1HB PRO 8 3.976 5.120 5.443 32 HB3 PRO 8 2HB PRO 8 4.308 6.083 6.888 33 HG2 PRO 8 1HG PRO 8 6.147 5.332 4.648 34 HG3 PRO 8 2HG PRO 8 5.966 6.892 5.472 35 HD2 PRO 8 1HD PRO 8 7.975 5.168 6.042 36 HD3 PRO 8 2HD PRO 8 7.259 6.238 7.265 37 H CYS 9 H CYS 9 3.619 2.080 7.499 38 HA CYS 9 HA CYS 9 3.894 0.877 4.843 39 HB2 CYS 9 1HB CYS 9 4.412 -1.299 5.733 40 HB3 CYS 9 2HB CYS 9 5.584 -0.152 6.370 41 HG CYS 9 HG CYS 9 3.955 -2.299 8.043 42 H CYS 10 H CYS 10 2.368 -1.075 4.663 43 HA CYS 10 HA CYS 10 -0.081 -0.639 6.223 44 HB2 CYS 10 1HB CYS 10 -1.461 -0.682 4.257 45 HB3 CYS 10 2HB CYS 10 -0.220 0.542 4.016 46 HG CYS 10 HG CYS 10 0.470 -2.532 2.814 47 H ARG 11 H ARG 11 -1.555 -2.449 6.219 48 HA ARG 11 HA ARG 11 -0.177 -5.001 5.705 49 HB2 ARG 11 1HB ARG 11 -0.533 -4.641 8.076 50 HB3 ARG 11 2HB ARG 11 -2.237 -4.302 7.802 51 HG2 ARG 11 1HG ARG 11 -2.490 -6.634 6.957 52 HG3 ARG 11 2HG ARG 11 -0.825 -6.935 7.457 53 HD2 ARG 11 1HD ARG 11 -1.635 -6.023 9.755 54 HD3 ARG 11 2HD ARG 11 -3.242 -6.398 9.134 55 HE ARG 11 HE ARG 11 -2.809 -8.579 9.599 56 HH11 ARG 11 2HH1 ARG 11 0.226 -6.953 9.080 57 HH12 ARG 11 1HH1 ARG 11 1.185 -8.355 9.424 58 HH21 ARG 11 2HH2 ARG 11 -1.557 -10.431 10.053 59 HH22 ARG 11 1HH2 ARG 11 0.169 -10.333 9.977 60 H ALA 12 H ALA 12 -1.110 -6.443 4.388 61 HA ALA 12 HA ALA 12 -3.518 -5.699 2.990 62 HB1 ALA 12 1HB ALA 12 -1.326 -6.957 2.158 63 HB2 ALA 12 2HB ALA 12 -2.302 -8.368 2.571 64 HB3 ALA 12 3HB ALA 12 -2.900 -7.195 1.397 65 H LEU 13 H LEU 13 -5.503 -6.652 3.097 66 HA LEU 13 HA LEU 13 -5.929 -8.487 5.350 67 HB2 LEU 13 1HB LEU 13 -7.929 -6.795 3.859 68 HB3 LEU 13 2HB LEU 13 -8.253 -7.773 5.289 69 HG LEU 13 HG LEU 13 -6.247 -5.551 5.397 70 HD11 LEU 13 1HD1 LEU 13 -8.453 -4.394 6.429 71 HD12 LEU 13 2HD1 LEU 13 -9.166 -5.315 5.105 72 HD13 LEU 13 3HD1 LEU 13 -7.889 -4.144 4.776 73 HD21 LEU 13 1HD2 LEU 13 -7.999 -6.987 7.378 74 HD22 LEU 13 2HD2 LEU 13 -7.125 -5.504 7.764 75 HD23 LEU 13 3HD2 LEU 13 -6.237 -6.956 7.301 76 H TYR 14 H TYR 14 -6.033 -8.265 1.932 77 HA TYR 14 HA TYR 14 -6.841 -11.045 1.753 78 HB2 TYR 14 1HB TYR 14 -8.399 -8.825 0.419 79 HB3 TYR 14 2HB TYR 14 -8.532 -10.521 -0.034 80 HD1 TYR 14 1HD TYR 14 -9.044 -8.142 2.764 81 HD2 TYR 14 2HD TYR 14 -9.921 -11.991 1.177 82 HE1 TYR 14 1HE TYR 14 -10.747 -8.467 4.509 83 HE2 TYR 14 2HE TYR 14 -11.627 -12.326 2.917 84 HH TYR 14 HH TYR 14 -12.764 -11.382 4.587 85 H ASP 15 H ASP 15 -6.819 -11.710 -0.673 86 HA ASP 15 HA ASP 15 -4.323 -10.667 -1.784 87 HB2 ASP 15 1HB ASP 15 -4.139 -12.707 -2.994 88 HB3 ASP 15 2HB ASP 15 -4.679 -13.144 -1.375 89 H PHE 16 H PHE 16 -4.244 -9.480 -3.582 90 HA PHE 16 HA PHE 16 -6.679 -9.305 -5.234 91 HB2 PHE 16 1HB PHE 16 -6.528 -7.217 -4.143 92 HB3 PHE 16 2HB PHE 16 -4.780 -7.147 -4.338 93 HD1 PHE 16 2HD PHE 16 -7.844 -7.368 -6.457 94 HD2 PHE 16 1HD PHE 16 -3.954 -5.724 -5.930 95 HE1 PHE 16 2HE PHE 16 -8.132 -6.040 -8.508 96 HE2 PHE 16 1HE PHE 16 -4.235 -4.392 -7.980 97 HZ PHE 16 HZ PHE 16 -6.326 -4.550 -9.272 98 H GLU 17 H GLU 17 -6.461 -9.480 -7.404 99 HA GLU 17 HA GLU 17 -3.741 -9.969 -8.418 100 HB2 GLU 17 1HB GLU 17 -4.784 -11.317 -10.171 101 HB3 GLU 17 2HB GLU 17 -5.239 -11.899 -8.576 102 HG2 GLU 17 1HG GLU 17 -7.335 -10.430 -8.888 103 HG3 GLU 17 2HG GLU 17 -6.895 -10.447 -10.595 104 HA PRO 18 HA PRO 18 -4.090 -6.313 -10.864 105 HB2 PRO 18 1HB PRO 18 -2.086 -6.840 -12.617 106 HB3 PRO 18 2HB PRO 18 -1.794 -6.343 -10.946 107 HG2 PRO 18 1HG PRO 18 -1.743 -9.087 -12.143 108 HG3 PRO 18 2HG PRO 18 -0.622 -8.352 -10.983 109 HD2 PRO 18 1HD PRO 18 -2.577 -10.069 -10.232 110 HD3 PRO 18 2HD PRO 18 -2.021 -8.741 -9.193 111 H GLU 19 H GLU 19 -4.884 -5.629 -12.852 112 HA GLU 19 HA GLU 19 -5.932 -7.772 -14.577 113 HB2 GLU 19 1HB GLU 19 -7.479 -6.085 -13.310 114 HB3 GLU 19 2HB GLU 19 -7.010 -4.976 -14.591 115 HG2 GLU 19 1HG GLU 19 -9.118 -6.074 -15.092 116 HG3 GLU 19 2HG GLU 19 -7.875 -6.508 -16.264 117 H ASN 20 H ASN 20 -4.344 -4.625 -14.549 118 HA ASN 20 HA ASN 20 -3.704 -4.989 -17.403 119 HB2 ASN 20 1HB ASN 20 -3.834 -2.402 -15.838 120 HB3 ASN 20 2HB ASN 20 -3.472 -2.556 -17.554 121 HD21 ASN 20 1HD2 ASN 20 -5.933 -2.732 -15.114 122 HD22 ASN 20 2HD2 ASN 20 -7.286 -2.723 -16.189 123 H GLU 21 H GLU 21 -1.623 -3.622 -17.942 124 HA GLU 21 HA GLU 21 0.513 -4.861 -16.517 125 HB2 GLU 21 1HB GLU 21 0.418 -4.219 -19.007 126 HB3 GLU 21 2HB GLU 21 0.835 -2.597 -18.473 127 HG2 GLU 21 1HG GLU 21 2.794 -3.789 -17.255 128 HG3 GLU 21 2HG GLU 21 2.466 -5.092 -18.395 129 H GLY 22 H GLY 22 1.947 -4.021 -15.069 130 HA2 GLY 22 1HA GLY 22 3.046 -2.220 -13.950 131 HA3 GLY 22 2HA GLY 22 1.681 -1.186 -14.344 132 H GLU 23 H GLU 23 -0.414 -2.836 -13.487 133 HA GLU 23 HA GLU 23 -0.817 -2.126 -10.904 134 HB2 GLU 23 1HB GLU 23 -1.731 -4.734 -12.131 135 HB3 GLU 23 2HB GLU 23 -2.447 -3.948 -10.731 136 HG2 GLU 23 1HG GLU 23 -2.275 -2.418 -13.271 137 HG3 GLU 23 2HG GLU 23 -3.479 -3.699 -13.137 138 H LEU 24 H LEU 24 -0.546 -3.047 -8.861 139 HA LEU 24 HA LEU 24 1.590 -5.069 -8.710 140 HB2 LEU 24 1HB LEU 24 2.245 -2.885 -7.847 141 HB3 LEU 24 2HB LEU 24 0.865 -2.895 -6.751 142 HG LEU 24 HG LEU 24 1.939 -5.006 -5.747 143 HD11 LEU 24 1HD1 LEU 24 3.557 -5.366 -7.554 144 HD12 LEU 24 2HD1 LEU 24 4.348 -5.167 -5.991 145 HD13 LEU 24 3HD1 LEU 24 4.340 -3.838 -7.149 146 HD21 LEU 24 1HD2 LEU 24 2.361 -2.203 -5.307 147 HD22 LEU 24 2HD2 LEU 24 3.810 -3.109 -4.868 148 HD23 LEU 24 3HD2 LEU 24 2.258 -3.516 -4.134 149 H GLY 25 H GLY 25 0.598 -6.980 -8.407 150 HA2 GLY 25 1HA GLY 25 -1.809 -7.239 -6.859 151 HA3 GLY 25 2HA GLY 25 -0.878 -8.550 -7.568 152 H PHE 26 H PHE 26 -1.987 -7.493 -4.741 153 HA PHE 26 HA PHE 26 0.412 -8.251 -3.220 154 HB2 PHE 26 1HB PHE 26 -0.770 -7.221 -1.273 155 HB3 PHE 26 2HB PHE 26 -0.426 -6.086 -2.574 156 HD1 PHE 26 1HD PHE 26 -3.151 -8.435 -1.574 157 HD2 PHE 26 2HD PHE 26 -2.089 -4.608 -3.105 158 HE1 PHE 26 1HE PHE 26 -5.529 -7.807 -1.646 159 HE2 PHE 26 2HE PHE 26 -4.465 -3.974 -3.178 160 HZ PHE 26 HZ PHE 26 -6.189 -5.574 -2.447 161 H LYS 27 H LYS 27 -0.116 -9.409 -1.108 162 HA LYS 27 HA LYS 27 -2.106 -11.512 -1.657 163 HB2 LYS 27 1HB LYS 27 0.489 -11.982 -1.507 164 HB3 LYS 27 2HB LYS 27 0.175 -11.949 0.223 165 HG2 LYS 27 1HG LYS 27 -1.059 -13.868 0.180 166 HG3 LYS 27 2HG LYS 27 -1.573 -13.631 -1.492 167 HD2 LYS 27 1HD LYS 27 0.582 -14.287 -2.312 168 HD3 LYS 27 2HD LYS 27 1.247 -14.322 -0.678 169 HE2 LYS 27 1HE LYS 27 0.819 -16.575 -1.327 170 HE3 LYS 27 2HE LYS 27 -0.402 -16.125 -0.138 171 HZ1 LYS 27 1HZ LYS 27 -1.892 -15.626 -2.060 172 HZ2 LYS 27 2HZ LYS 27 -1.499 -17.261 -1.880 173 HZ3 LYS 27 3HZ LYS 27 -0.740 -16.335 -3.075 174 H GLU 28 H GLU 28 -2.540 -12.728 0.590 175 HA GLU 28 HA GLU 28 -3.833 -10.737 2.239 176 HB2 GLU 28 1HB GLU 28 -4.809 -13.006 1.520 177 HB3 GLU 28 2HB GLU 28 -3.787 -13.699 2.771 178 HG2 GLU 28 1HG GLU 28 -4.947 -12.613 4.484 179 HG3 GLU 28 2HG GLU 28 -5.709 -11.480 3.368 180 H GLY 29 H GLY 29 -3.188 -10.025 4.181 181 HA2 GLY 29 1HA GLY 29 -1.978 -9.828 6.129 182 HA3 GLY 29 2HA GLY 29 -1.530 -11.518 5.949 183 H ASP 30 H ASP 30 -0.850 -9.365 3.340 184 HA ASP 30 HA ASP 30 2.011 -9.634 3.914 185 HB2 ASP 30 1HB ASP 30 0.403 -9.244 1.426 186 HB3 ASP 30 2HB ASP 30 2.066 -8.662 1.453 187 H ILE 31 H ILE 31 3.333 -7.918 4.231 188 HA ILE 31 HA ILE 31 2.039 -5.322 4.592 189 HB ILE 31 HB ILE 31 4.801 -6.219 5.423 190 HG12 ILE 31 1HG1 ILE 31 2.921 -7.392 6.577 191 HG13 ILE 31 2HG1 ILE 31 3.910 -6.416 7.658 192 HG21 ILE 31 1HG2 ILE 31 3.293 -3.786 6.347 193 HG22 ILE 31 2HG2 ILE 31 4.984 -4.193 6.634 194 HG23 ILE 31 3HG2 ILE 31 4.446 -3.755 5.013 195 HD11 ILE 31 1HD1 ILE 31 1.168 -6.379 7.472 196 HD12 ILE 31 2HD1 ILE 31 2.178 -5.162 8.253 197 HD13 ILE 31 3HD1 ILE 31 1.660 -4.938 6.582 198 H ILE 32 H ILE 32 2.233 -3.773 3.126 199 HA ILE 32 HA ILE 32 4.443 -3.940 1.187 200 HB ILE 32 HB ILE 32 1.756 -2.593 0.885 201 HG12 ILE 32 1HG1 ILE 32 1.799 -4.417 -1.067 202 HG13 ILE 32 2HG1 ILE 32 2.855 -5.240 0.075 203 HG21 ILE 32 1HG2 ILE 32 4.255 -2.348 -0.586 204 HG22 ILE 32 2HG2 ILE 32 2.892 -2.795 -1.610 205 HG23 ILE 32 3HG2 ILE 32 2.813 -1.334 -0.626 206 HD11 ILE 32 1HD1 ILE 32 0.102 -4.239 0.751 207 HD12 ILE 32 2HD1 ILE 32 0.465 -5.885 0.232 208 HD13 ILE 32 3HD1 ILE 32 1.144 -5.265 1.737 209 H THR 33 H THR 33 6.032 -2.572 1.626 210 HA THR 33 HA THR 33 5.946 -0.432 3.393 211 HB THR 33 HB THR 33 7.806 -0.690 1.022 212 HG1 THR 33 1HG THR 33 8.339 -1.578 3.660 213 HG21 THR 33 1HG2 THR 33 7.805 1.509 2.194 214 HG22 THR 33 2HG2 THR 33 9.340 0.648 2.312 215 HG23 THR 33 3HG2 THR 33 8.233 0.668 3.684 216 H LEU 34 H LEU 34 5.858 1.815 3.122 217 HA LEU 34 HA LEU 34 4.566 2.694 0.624 218 HB2 LEU 34 1HB LEU 34 4.222 3.771 3.418 219 HB3 LEU 34 2HB LEU 34 3.472 4.441 1.971 220 HG LEU 34 HG LEU 34 2.958 1.614 2.846 221 HD11 LEU 34 1HD1 LEU 34 1.158 3.898 3.557 222 HD12 LEU 34 2HD1 LEU 34 2.456 3.392 4.637 223 HD13 LEU 34 3HD1 LEU 34 1.181 2.256 4.198 224 HD21 LEU 34 1HD2 LEU 34 0.884 3.212 1.535 225 HD22 LEU 34 2HD2 LEU 34 1.432 1.569 1.205 226 HD23 LEU 34 3HD2 LEU 34 2.325 2.944 0.554 227 H THR 35 H THR 35 5.516 4.269 -0.505 228 HA THR 35 HA THR 35 7.692 5.781 0.789 229 HB THR 35 HB THR 35 8.808 4.410 -0.751 230 HG1 THR 35 1HG THR 35 8.911 6.897 -1.065 231 HG21 THR 35 1HG2 THR 35 6.303 4.545 -2.204 232 HG22 THR 35 2HG2 THR 35 7.576 3.326 -2.267 233 HG23 THR 35 3HG2 THR 35 7.689 4.772 -3.270 234 H ASN 36 H ASN 36 5.072 5.840 -1.569 235 HA ASN 36 HA ASN 36 4.593 8.622 -1.054 236 HB2 ASN 36 1HB ASN 36 5.915 7.740 -3.583 237 HB3 ASN 36 2HB ASN 36 4.715 9.027 -3.671 238 HD21 ASN 36 1HD2 ASN 36 5.038 10.750 -1.922 239 HD22 ASN 36 2HD2 ASN 36 6.661 11.304 -1.712 240 H GLN 37 H GLN 37 2.743 9.433 -2.464 241 HA GLN 37 HA GLN 37 0.947 7.219 -3.192 242 HB2 GLN 37 1HB GLN 37 0.210 7.981 -1.039 243 HB3 GLN 37 2HB GLN 37 0.296 9.663 -1.544 244 HG2 GLN 37 1HG GLN 37 -1.461 8.949 -3.315 245 HG3 GLN 37 2HG GLN 37 -1.726 7.582 -2.234 246 HE21 GLN 37 1HE2 GLN 37 -3.708 8.088 -1.482 247 HE22 GLN 37 2HE2 GLN 37 -4.070 9.508 -0.567 248 H ILE 38 H ILE 38 -0.354 7.536 -4.957 249 HA ILE 38 HA ILE 38 0.146 10.006 -6.482 250 HB ILE 38 HB ILE 38 -0.562 7.243 -7.472 251 HG12 ILE 38 1HG1 ILE 38 1.688 7.743 -8.729 252 HG13 ILE 38 2HG1 ILE 38 1.936 8.899 -7.426 253 HG21 ILE 38 1HG2 ILE 38 -0.374 9.875 -8.906 254 HG22 ILE 38 2HG2 ILE 38 -0.172 8.336 -9.742 255 HG23 ILE 38 3HG2 ILE 38 -1.691 8.703 -8.923 256 HD11 ILE 38 1HD1 ILE 38 2.868 6.485 -7.231 257 HD12 ILE 38 2HD1 ILE 38 2.126 7.259 -5.830 258 HD13 ILE 38 3HD1 ILE 38 1.212 6.084 -6.775 259 H ASP 39 H ASP 39 -2.344 7.595 -5.715 260 HA ASP 39 HA ASP 39 -4.400 9.527 -6.539 261 HB2 ASP 39 1HB ASP 39 -4.997 6.665 -5.877 262 HB3 ASP 39 2HB ASP 39 -5.843 7.753 -6.974 263 H GLU 40 H GLU 40 -6.490 9.293 -5.200 264 HA GLU 40 HA GLU 40 -5.791 9.870 -2.463 265 HB2 GLU 40 1HB GLU 40 -8.079 10.560 -2.199 266 HB3 GLU 40 2HB GLU 40 -7.486 11.183 -3.732 267 HG2 GLU 40 1HG GLU 40 -8.715 9.611 -4.971 268 HG3 GLU 40 2HG GLU 40 -9.044 8.628 -3.546 269 H ASN 41 H ASN 41 -6.608 7.098 -4.171 270 HA ASN 41 HA ASN 41 -7.314 5.716 -1.671 271 HB2 ASN 41 1HB ASN 41 -8.667 5.625 -4.327 272 HB3 ASN 41 2HB ASN 41 -8.573 4.131 -3.399 273 HD21 ASN 41 1HD2 ASN 41 -9.140 4.506 -0.991 274 HD22 ASN 41 2HD2 ASN 41 -10.587 5.410 -0.716 275 H TRP 42 H TRP 42 -5.075 6.068 -4.024 276 HA TRP 42 HA TRP 42 -4.205 3.259 -3.824 277 HB2 TRP 42 1HB TRP 42 -3.625 5.231 -6.046 278 HB3 TRP 42 2HB TRP 42 -3.043 3.570 -5.967 279 HD1 TRP 42 HD TRP 42 -6.519 5.320 -5.912 280 HE1 TRP 42 1HE TRP 42 -8.133 3.899 -7.326 281 HE3 TRP 42 3HE TRP 42 -3.344 1.526 -7.200 282 HZ2 TRP 42 2HZ TRP 42 -8.069 1.488 -8.793 283 HZ3 TRP 42 3HZ TRP 42 -4.199 -0.299 -8.611 284 HH2 TRP 42 HH TRP 42 -6.513 -0.316 -9.389 285 H TYR 43 H TYR 43 -2.189 2.842 -3.087 286 HA TYR 43 HA TYR 43 -0.524 5.169 -2.381 287 HB2 TYR 43 1HB TYR 43 -0.968 2.554 -0.951 288 HB3 TYR 43 2HB TYR 43 0.409 3.590 -0.594 289 HD1 TYR 43 2HD TYR 43 -0.787 6.268 -0.732 290 HD2 TYR 43 1HD TYR 43 -2.333 2.670 0.929 291 HE1 TYR 43 2HE TYR 43 -2.175 7.585 0.813 292 HE2 TYR 43 1HE TYR 43 -3.726 3.977 2.479 293 HH TYR 43 HH TYR 43 -4.641 6.821 2.176 294 H GLU 44 H GLU 44 1.706 5.038 -2.674 295 HA GLU 44 HA GLU 44 2.539 3.022 -4.630 296 HB2 GLU 44 1HB GLU 44 2.791 5.630 -4.879 297 HB3 GLU 44 2HB GLU 44 4.223 5.380 -3.892 298 HG2 GLU 44 1HG GLU 44 4.990 3.697 -5.566 299 HG3 GLU 44 2HG GLU 44 3.631 4.176 -6.582 300 H GLY 45 H GLY 45 3.736 1.361 -3.995 301 HA2 GLY 45 1HA GLY 45 5.660 1.748 -1.809 302 HA3 GLY 45 2HA GLY 45 4.488 0.445 -1.680 303 H MET 46 H MET 46 6.747 -0.619 -1.492 304 HA MET 46 HA MET 46 7.488 -1.558 -4.182 305 HB2 MET 46 1HB MET 46 9.213 -0.585 -1.966 306 HB3 MET 46 2HB MET 46 9.793 -1.966 -2.888 307 HG2 MET 46 1HG MET 46 9.529 -0.645 -4.957 308 HG3 MET 46 2HG MET 46 9.063 0.742 -3.976 309 HE1 MET 46 1HE MET 46 11.456 0.380 -1.415 310 HE2 MET 46 2HE MET 46 12.148 1.824 -2.156 311 HE3 MET 46 3HE MET 46 10.397 1.614 -2.097 312 H LEU 47 H LEU 47 6.821 -3.590 -4.362 313 HA LEU 47 HA LEU 47 7.209 -5.396 -2.066 314 HB2 LEU 47 1HB LEU 47 4.825 -4.837 -2.512 315 HB3 LEU 47 2HB LEU 47 5.001 -5.559 -4.110 316 HG LEU 47 HG LEU 47 5.521 -7.729 -3.004 317 HD11 LEU 47 1HD1 LEU 47 6.251 -7.414 -0.880 318 HD12 LEU 47 2HD1 LEU 47 4.540 -7.665 -0.533 319 HD13 LEU 47 3HD1 LEU 47 5.195 -6.029 -0.601 320 HD21 LEU 47 1HD2 LEU 47 2.914 -7.077 -1.850 321 HD22 LEU 47 2HD2 LEU 47 3.348 -8.263 -3.081 322 HD23 LEU 47 3HD2 LEU 47 3.103 -6.574 -3.530 323 H HIS 48 H HIS 48 8.658 -6.916 -2.476 324 HA HIS 48 HA HIS 48 10.043 -8.350 -3.577 325 HB2 HIS 48 1HB HIS 48 7.497 -8.632 -5.164 326 HB3 HIS 48 2HB HIS 48 8.925 -9.602 -5.513 327 HD1 HIS 48 1HD HIS 48 9.828 -10.985 -3.291 328 HD2 HIS 48 2HD HIS 48 5.857 -9.766 -3.339 329 HE1 HIS 48 1HE HIS 48 8.665 -12.416 -1.580 330 HE2 HIS 48 2HE HIS 48 6.247 -11.719 -1.688 331 H GLY 49 H GLY 49 10.495 -5.699 -4.212 332 HA2 GLY 49 1HA GLY 49 11.746 -4.479 -5.708 333 HA3 GLY 49 2HA GLY 49 11.938 -5.953 -6.647 334 H HIS 50 H HIS 50 8.747 -4.838 -5.909 335 HA HIS 50 HA HIS 50 8.462 -3.901 -8.690 336 HB2 HIS 50 1HB HIS 50 6.323 -5.240 -7.025 337 HB3 HIS 50 2HB HIS 50 6.221 -4.801 -8.728 338 HD1 HIS 50 1HD HIS 50 8.609 -6.009 -9.977 339 HD2 HIS 50 2HD HIS 50 6.544 -7.923 -6.922 340 HE1 HIS 50 1HE HIS 50 9.182 -8.447 -10.203 341 HE2 HIS 50 2HE HIS 50 7.855 -9.595 -8.397 342 H SER 51 H SER 51 7.936 -1.835 -8.879 343 HA SER 51 HA SER 51 6.753 -0.464 -6.565 344 HB2 SER 51 1HB SER 51 7.607 1.609 -7.561 345 HB3 SER 51 2HB SER 51 8.906 0.433 -7.363 346 HG SER 51 HG SER 51 8.917 0.066 -9.520 347 H GLY 52 H GLY 52 4.595 -0.448 -6.713 348 HA2 GLY 52 1HA GLY 52 3.394 0.793 -9.061 349 HA3 GLY 52 2HA GLY 52 2.880 -0.849 -8.705 350 H PHE 53 H PHE 53 0.884 0.807 -8.730 351 HA PHE 53 HA PHE 53 0.448 1.795 -6.004 352 HB2 PHE 53 1HB PHE 53 -1.537 2.248 -8.184 353 HB3 PHE 53 2HB PHE 53 -1.075 3.302 -6.852 354 HD1 PHE 53 2HD PHE 53 1.687 3.753 -7.052 355 HD2 PHE 53 1HD PHE 53 -1.112 3.211 -10.213 356 HE1 PHE 53 2HE PHE 53 3.154 5.022 -8.565 357 HE2 PHE 53 1HE PHE 53 0.351 4.479 -11.731 358 HZ PHE 53 HZ PHE 53 2.487 5.387 -10.908 359 H PHE 54 H PHE 54 -1.292 1.137 -4.760 360 HA PHE 54 HA PHE 54 -2.954 -1.042 -5.799 361 HB2 PHE 54 1HB PHE 54 -2.641 -2.158 -3.499 362 HB3 PHE 54 2HB PHE 54 -1.332 -2.307 -4.667 363 HD1 PHE 54 1HD PHE 54 0.639 -0.726 -4.461 364 HD2 PHE 54 2HD PHE 54 -2.267 -1.235 -1.392 365 HE1 PHE 54 1HE PHE 54 2.212 0.216 -2.820 366 HE2 PHE 54 2HE PHE 54 -0.699 -0.293 0.253 367 HZ PHE 54 HZ PHE 54 1.543 0.434 -0.459 368 HA PRO 55 HA PRO 55 -6.262 1.011 -3.774 369 HB2 PRO 55 1HB PRO 55 -7.872 -1.081 -3.141 370 HB3 PRO 55 2HB PRO 55 -7.664 -0.495 -4.796 371 HG2 PRO 55 1HG PRO 55 -6.368 -2.825 -3.434 372 HG3 PRO 55 2HG PRO 55 -7.040 -2.718 -5.071 373 HD2 PRO 55 1HD PRO 55 -4.384 -2.543 -4.573 374 HD3 PRO 55 2HD PRO 55 -5.164 -1.673 -5.909 375 H ILE 56 H ILE 56 -7.131 1.502 -1.751 376 HA ILE 56 HA ILE 56 -5.610 0.444 0.507 377 HB ILE 56 HB ILE 56 -7.467 2.819 0.332 378 HG12 ILE 56 1HG1 ILE 56 -4.472 2.778 0.715 379 HG13 ILE 56 2HG1 ILE 56 -5.235 2.936 -0.864 380 HG21 ILE 56 1HG2 ILE 56 -6.225 1.440 2.610 381 HG22 ILE 56 2HG2 ILE 56 -6.025 3.192 2.592 382 HG23 ILE 56 3HG2 ILE 56 -7.642 2.489 2.550 383 HD11 ILE 56 1HD1 ILE 56 -4.597 5.101 -0.041 384 HD12 ILE 56 2HD1 ILE 56 -6.356 4.982 -0.074 385 HD13 ILE 56 3HD1 ILE 56 -5.491 4.835 1.455 386 H ASN 57 H ASN 57 -8.588 -0.017 -0.984 387 HA ASN 57 HA ASN 57 -10.188 -0.523 1.328 388 HB2 ASN 57 1HB ASN 57 -11.019 0.055 -1.017 389 HB3 ASN 57 2HB ASN 57 -10.683 -1.623 -1.437 390 HD21 ASN 57 1HD2 ASN 57 -12.716 0.538 0.342 391 HD22 ASN 57 2HD2 ASN 57 -13.933 -0.616 0.757 392 H TYR 58 H TYR 58 -7.543 -2.075 0.315 393 HA TYR 58 HA TYR 58 -8.529 -4.693 1.241 394 HB2 TYR 58 1HB TYR 58 -6.760 -3.993 -1.056 395 HB3 TYR 58 2HB TYR 58 -6.429 -5.484 -0.181 396 HD1 TYR 58 2HD TYR 58 -8.886 -6.709 0.397 397 HD2 TYR 58 1HD TYR 58 -7.898 -4.371 -3.017 398 HE1 TYR 58 2HE TYR 58 -10.640 -7.857 -0.889 399 HE2 TYR 58 1HE TYR 58 -9.651 -5.512 -4.313 400 HH TYR 58 HH TYR 58 -10.978 -7.429 -4.325 401 H VAL 59 H VAL 59 -6.112 -2.222 1.425 402 HA VAL 59 HA VAL 59 -4.691 -3.774 3.491 403 HB VAL 59 HB VAL 59 -2.696 -2.471 3.023 404 HG11 VAL 59 1HG1 VAL 59 -2.290 -4.152 1.622 405 HG12 VAL 59 2HG1 VAL 59 -3.976 -4.215 1.103 406 HG13 VAL 59 3HG1 VAL 59 -2.852 -3.102 0.322 407 HG21 VAL 59 1HG2 VAL 59 -3.812 -0.386 2.358 408 HG22 VAL 59 2HG2 VAL 59 -2.591 -0.882 1.185 409 HG23 VAL 59 3HG2 VAL 59 -4.301 -1.142 0.841 410 H GLU 60 H GLU 60 -4.250 -2.815 5.446 411 HA GLU 60 HA GLU 60 -5.724 -0.336 5.984 412 HB2 GLU 60 1HB GLU 60 -5.973 -2.626 7.288 413 HB3 GLU 60 2HB GLU 60 -4.572 -2.022 8.162 414 HG2 GLU 60 1HG GLU 60 -6.407 -1.344 9.428 415 HG3 GLU 60 2HG GLU 60 -5.915 0.099 8.543 416 H ILE 61 H ILE 61 -4.764 1.454 6.836 417 HA ILE 61 HA ILE 61 -1.857 1.546 6.681 418 HB ILE 61 HB ILE 61 -3.895 3.743 7.047 419 HG12 ILE 61 1HG1 ILE 61 -3.908 2.758 4.813 420 HG13 ILE 61 2HG1 ILE 61 -3.219 4.376 4.758 421 HG21 ILE 61 1HG2 ILE 61 -1.791 5.152 6.426 422 HG22 ILE 61 2HG2 ILE 61 -2.053 4.645 8.094 423 HG23 ILE 61 3HG2 ILE 61 -0.911 3.768 7.076 424 HD11 ILE 61 1HD1 ILE 61 -0.962 3.348 4.774 425 HD12 ILE 61 2HD1 ILE 61 -1.733 1.766 4.657 426 HD13 ILE 61 3HD1 ILE 61 -1.929 2.941 3.357 427 H LEU 62 H LEU 62 -0.779 0.987 8.456 428 HA LEU 62 HA LEU 62 -1.921 1.359 11.089 429 HB2 LEU 62 1HB LEU 62 0.827 0.357 10.377 430 HB3 LEU 62 2HB LEU 62 -0.025 0.148 11.906 431 HG LEU 62 HG LEU 62 -0.862 -1.094 9.287 432 HD11 LEU 62 1HD1 LEU 62 0.878 -2.452 9.663 433 HD12 LEU 62 2HD1 LEU 62 -0.141 -3.138 10.928 434 HD13 LEU 62 3HD1 LEU 62 1.065 -1.917 11.333 435 HD21 LEU 62 1HD2 LEU 62 -1.855 -2.383 11.635 436 HD22 LEU 62 2HD2 LEU 62 -2.752 -1.645 10.308 437 HD23 LEU 62 3HD2 LEU 62 -2.265 -0.669 11.694 438 H VAL 63 H VAL 63 0.767 2.644 9.187 439 HA VAL 63 HA VAL 63 1.159 4.709 11.255 440 HB VAL 63 HB VAL 63 3.107 3.514 9.293 441 HG11 VAL 63 1HG1 VAL 63 3.096 6.187 10.539 442 HG12 VAL 63 2HG1 VAL 63 4.616 5.294 10.631 443 HG13 VAL 63 3HG1 VAL 63 3.879 5.624 9.063 444 HG21 VAL 63 1HG2 VAL 63 2.607 3.318 12.161 445 HG22 VAL 63 2HG2 VAL 63 3.503 2.239 11.091 446 HG23 VAL 63 3HG2 VAL 63 4.290 3.666 11.765 447 H ALA 64 H ALA 64 0.172 6.533 10.694 448 HA ALA 64 HA ALA 64 -0.635 7.217 8.092 449 HB1 ALA 64 1HB ALA 64 -0.333 8.835 10.606 450 HB2 ALA 64 2HB ALA 64 -0.935 9.529 9.100 451 HB3 ALA 64 3HB ALA 64 -1.810 8.208 9.874 452 H LEU 65 H LEU 65 0.533 7.876 6.422 453 HA LEU 65 HA LEU 65 3.238 8.284 6.351 454 HB2 LEU 65 1HB LEU 65 1.013 9.280 4.621 455 HB3 LEU 65 2HB LEU 65 2.674 9.770 4.295 456 HG LEU 65 HG LEU 65 2.005 6.865 4.521 457 HD11 LEU 65 1HD1 LEU 65 0.856 6.761 2.620 458 HD12 LEU 65 2HD1 LEU 65 1.974 7.847 1.796 459 HD13 LEU 65 3HD1 LEU 65 0.649 8.508 2.754 460 HD21 LEU 65 1HD2 LEU 65 3.804 6.947 2.640 461 HD22 LEU 65 2HD2 LEU 65 4.285 7.146 4.326 462 HD23 LEU 65 3HD2 LEU 65 4.130 8.558 3.280 463 HA PRO 66 HA PRO 66 4.168 12.207 8.086 464 HB2 PRO 66 1HB PRO 66 6.204 13.037 6.494 465 HB3 PRO 66 2HB PRO 66 6.380 11.737 7.679 466 HG2 PRO 66 1HG PRO 66 5.934 11.558 4.724 467 HG3 PRO 66 2HG PRO 66 7.033 10.617 5.749 468 HD2 PRO 66 1HD PRO 66 4.642 9.659 4.911 469 HD3 PRO 66 2HD PRO 66 5.355 9.213 6.475 470 H HIS 67 H HIS 67 2.626 11.912 5.190 471 HA HIS 67 HA HIS 67 2.835 14.629 4.263 472 HB2 HIS 67 1HB HIS 67 2.375 12.593 2.805 473 HB3 HIS 67 2HB HIS 67 0.741 12.610 3.460 474 HD1 HIS 67 1HD HIS 67 -0.897 14.195 2.410 475 HD2 HIS 67 2HD HIS 67 3.019 14.936 1.238 476 HE1 HIS 67 1HE HIS 67 -1.057 15.907 0.575 477 HE2 HIS 67 2HE HIS 67 1.318 16.277 -0.176 478 H SER 68 H SER 68 1.702 16.314 4.958 479 HA SER 68 HA SER 68 -0.060 16.189 7.126 480 HB2 SER 68 1HB SER 68 1.279 18.199 6.038 481 HB3 SER 68 2HB SER 68 -0.250 18.469 5.202 482 HG SER 68 HG SER 68 -1.252 18.514 7.285 483 H GLY 69 H GLY 69 -0.799 16.837 3.694 484 HA2 GLY 69 1HA GLY 69 -2.733 15.382 2.896 485 HA3 GLY 69 2HA GLY 69 -3.594 16.080 4.260 486 HA PRO 70 HA PRO 70 -4.987 19.356 1.704 487 HB2 PRO 70 1HB PRO 70 -5.182 21.380 3.501 488 HB3 PRO 70 2HB PRO 70 -6.303 20.014 3.468 489 HG2 PRO 70 1HG PRO 70 -3.932 20.475 5.236 490 HG3 PRO 70 2HG PRO 70 -5.540 19.858 5.658 491 HD2 PRO 70 1HD PRO 70 -3.400 18.235 5.313 492 HD3 PRO 70 2HD PRO 70 -5.055 17.730 4.917 493 H SER 71 H SER 71 -4.169 20.927 0.415 494 HA SER 71 HA SER 71 -1.881 22.500 1.268 495 HB2 SER 71 1HB SER 71 -0.955 20.370 0.290 496 HB3 SER 71 2HB SER 71 -1.695 20.825 -1.244 497 HG SER 71 HG SER 71 0.618 21.449 -0.751 498 H SER 72 H SER 72 -1.189 23.971 -0.660 499 HA SER 72 HA SER 72 -3.585 25.333 -1.518 500 HB2 SER 72 1HB SER 72 -1.270 26.326 -0.714 501 HB3 SER 72 2HB SER 72 -0.860 26.173 -2.422 502 HG SER 72 HG SER 72 -2.090 28.155 -1.384 503 H GLY 73 H GLY 73 -0.836 23.717 -3.081 504 HA2 GLY 73 1HA GLY 73 -1.359 22.307 -5.022 505 HA3 GLY 73 2HA GLY 73 -2.468 23.568 -5.540 Start of MODEL 14 1 H1 GLY 1 H GLY 1 5.557 -11.785 11.659 2 HA2 GLY 1 1HA GLY 1 6.709 -10.618 13.983 3 HA3 GLY 1 2HA GLY 1 7.450 -12.176 13.645 4 H SER 2 H SER 2 6.473 -9.263 11.830 5 HA SER 2 HA SER 2 8.012 -9.396 9.636 6 HB2 SER 2 1HB SER 2 7.653 -6.951 11.385 7 HB3 SER 2 2HB SER 2 8.239 -6.913 9.722 8 HG SER 2 HG SER 2 5.697 -7.769 10.641 9 H SER 3 H SER 3 10.118 -8.891 9.002 10 HA SER 3 HA SER 3 12.100 -9.123 11.156 11 HB2 SER 3 1HB SER 3 13.644 -9.925 9.442 12 HB3 SER 3 2HB SER 3 12.150 -10.861 9.391 13 HG SER 3 HG SER 3 12.460 -8.595 7.752 14 H GLY 4 H GLY 4 10.840 -6.947 8.852 15 HA2 GLY 4 1HA GLY 4 12.600 -4.861 9.736 16 HA3 GLY 4 2HA GLY 4 12.928 -5.354 8.082 17 H SER 5 H SER 5 10.668 -3.797 10.224 18 HA SER 5 HA SER 5 9.215 -2.793 7.866 19 HB2 SER 5 1HB SER 5 8.049 -3.389 10.597 20 HB3 SER 5 2HB SER 5 7.168 -2.712 9.227 21 HG SER 5 HG SER 5 7.284 -4.619 8.189 22 H SER 6 H SER 6 11.492 -1.577 9.027 23 HA SER 6 HA SER 6 10.739 0.495 10.833 24 HB2 SER 6 1HB SER 6 13.160 0.176 9.046 25 HB3 SER 6 2HB SER 6 12.973 1.467 10.232 26 HG SER 6 HG SER 6 13.487 0.111 11.749 27 H GLY 7 H GLY 7 9.143 1.824 10.149 28 HA2 GLY 7 1HA GLY 7 9.140 4.058 8.951 29 HA3 GLY 7 2HA GLY 7 9.486 3.109 7.513 30 HA PRO 8 HA PRO 8 4.856 3.686 8.077 31 HB2 PRO 8 1HB PRO 8 4.432 4.991 5.734 32 HB3 PRO 8 2HB PRO 8 4.831 5.826 7.240 33 HG2 PRO 8 1HG PRO 8 6.615 5.093 4.952 34 HG3 PRO 8 2HG PRO 8 6.549 6.602 5.880 35 HD2 PRO 8 1HD PRO 8 8.421 4.698 6.327 36 HD3 PRO 8 2HD PRO 8 7.784 5.733 7.621 37 H CYS 9 H CYS 9 3.901 1.813 7.610 38 HA CYS 9 HA CYS 9 4.007 0.816 4.862 39 HB2 CYS 9 1HB CYS 9 4.417 -1.004 7.239 40 HB3 CYS 9 2HB CYS 9 4.493 -1.443 5.537 41 HG CYS 9 HG CYS 9 6.721 0.611 7.131 42 H CYS 10 H CYS 10 2.439 -1.176 4.718 43 HA CYS 10 HA CYS 10 0.120 -0.866 6.456 44 HB2 CYS 10 1HB CYS 10 -1.406 -0.670 4.499 45 HB3 CYS 10 2HB CYS 10 -0.357 0.727 4.703 46 HG CYS 10 HG CYS 10 -0.804 -1.067 2.047 47 H ARG 11 H ARG 11 -1.280 -2.649 6.461 48 HA ARG 11 HA ARG 11 -0.115 -5.068 5.263 49 HB2 ARG 11 1HB ARG 11 -0.213 -5.235 7.647 50 HB3 ARG 11 2HB ARG 11 -1.879 -4.672 7.678 51 HG2 ARG 11 1HG ARG 11 -2.382 -6.782 6.285 52 HG3 ARG 11 2HG ARG 11 -0.806 -7.337 6.853 53 HD2 ARG 11 1HD ARG 11 -2.298 -8.196 8.425 54 HD3 ARG 11 2HD ARG 11 -1.665 -6.742 9.196 55 HE ARG 11 HE ARG 11 -4.076 -6.257 7.735 56 HH11 ARG 11 2HH1 ARG 11 -2.781 -7.416 10.752 57 HH12 ARG 11 1HH1 ARG 11 -4.208 -7.039 11.659 58 HH21 ARG 11 2HH2 ARG 11 -5.960 -5.756 8.919 59 HH22 ARG 11 1HH2 ARG 11 -6.016 -6.095 10.616 60 H ALA 12 H ALA 12 -1.360 -6.488 4.083 61 HA ALA 12 HA ALA 12 -3.706 -5.354 2.839 62 HB1 ALA 12 1HB ALA 12 -1.785 -6.777 1.769 63 HB2 ALA 12 2HB ALA 12 -2.786 -8.134 2.286 64 HB3 ALA 12 3HB ALA 12 -3.443 -6.923 1.185 65 H LEU 13 H LEU 13 -5.751 -6.430 2.689 66 HA LEU 13 HA LEU 13 -6.346 -8.072 5.061 67 HB2 LEU 13 1HB LEU 13 -8.077 -6.153 3.516 68 HB3 LEU 13 2HB LEU 13 -8.687 -7.232 4.768 69 HG LEU 13 HG LEU 13 -6.557 -5.173 5.297 70 HD11 LEU 13 1HD1 LEU 13 -9.346 -4.754 4.750 71 HD12 LEU 13 2HD1 LEU 13 -8.080 -3.575 5.093 72 HD13 LEU 13 3HD1 LEU 13 -8.971 -4.322 6.419 73 HD21 LEU 13 1HD2 LEU 13 -6.488 -6.527 7.117 74 HD22 LEU 13 2HD2 LEU 13 -8.144 -7.094 6.899 75 HD23 LEU 13 3HD2 LEU 13 -7.840 -5.507 7.608 76 H TYR 14 H TYR 14 -6.897 -7.686 1.608 77 HA TYR 14 HA TYR 14 -7.866 -10.466 1.528 78 HB2 TYR 14 1HB TYR 14 -8.897 -8.079 -0.002 79 HB3 TYR 14 2HB TYR 14 -9.235 -9.737 -0.486 80 HD1 TYR 14 2HD TYR 14 -10.553 -11.214 1.039 81 HD2 TYR 14 1HD TYR 14 -10.085 -7.050 1.777 82 HE1 TYR 14 2HE TYR 14 -12.470 -11.278 2.580 83 HE2 TYR 14 1HE TYR 14 -12.000 -7.102 3.320 84 HH TYR 14 HH TYR 14 -14.231 -9.060 3.418 85 H ASP 15 H ASP 15 -7.716 -11.339 -0.799 86 HA ASP 15 HA ASP 15 -4.986 -10.877 -1.695 87 HB2 ASP 15 1HB ASP 15 -5.234 -12.923 -2.963 88 HB3 ASP 15 2HB ASP 15 -5.828 -13.189 -1.326 89 H PHE 16 H PHE 16 -4.523 -9.572 -3.327 90 HA PHE 16 HA PHE 16 -6.567 -9.129 -5.401 91 HB2 PHE 16 1HB PHE 16 -6.438 -7.132 -4.041 92 HB3 PHE 16 2HB PHE 16 -4.683 -7.105 -4.177 93 HD1 PHE 16 2HD PHE 16 -7.680 -7.146 -6.402 94 HD2 PHE 16 1HD PHE 16 -3.767 -5.636 -5.676 95 HE1 PHE 16 2HE PHE 16 -7.862 -5.723 -8.400 96 HE2 PHE 16 1HE PHE 16 -3.944 -4.209 -7.672 97 HZ PHE 16 HZ PHE 16 -5.993 -4.252 -9.038 98 H GLU 17 H GLU 17 -5.869 -8.990 -7.516 99 HA GLU 17 HA GLU 17 -3.007 -9.499 -7.985 100 HB2 GLU 17 1HB GLU 17 -5.400 -10.939 -9.069 101 HB3 GLU 17 2HB GLU 17 -3.933 -10.840 -10.034 102 HG2 GLU 17 1HG GLU 17 -2.778 -11.719 -7.877 103 HG3 GLU 17 2HG GLU 17 -4.405 -12.245 -7.447 104 HA PRO 18 HA PRO 18 -3.258 -6.042 -10.709 105 HB2 PRO 18 1HB PRO 18 -0.997 -6.501 -12.140 106 HB3 PRO 18 2HB PRO 18 -0.977 -5.897 -10.479 107 HG2 PRO 18 1HG PRO 18 -0.566 -8.686 -11.484 108 HG3 PRO 18 2HG PRO 18 0.328 -7.806 -10.231 109 HD2 PRO 18 1HD PRO 18 -1.586 -9.630 -9.646 110 HD3 PRO 18 2HD PRO 18 -1.276 -8.210 -8.626 111 H GLU 19 H GLU 19 -4.874 -6.151 -12.172 112 HA GLU 19 HA GLU 19 -4.828 -8.191 -14.252 113 HB2 GLU 19 1HB GLU 19 -6.944 -7.747 -13.095 114 HB3 GLU 19 2HB GLU 19 -6.886 -6.069 -13.616 115 HG2 GLU 19 1HG GLU 19 -7.054 -6.781 -15.944 116 HG3 GLU 19 2HG GLU 19 -7.107 -8.465 -15.425 117 H ASN 20 H ASN 20 -4.695 -4.675 -13.913 118 HA ASN 20 HA ASN 20 -4.098 -4.447 -16.781 119 HB2 ASN 20 1HB ASN 20 -5.058 -2.437 -14.746 120 HB3 ASN 20 2HB ASN 20 -4.463 -1.961 -16.333 121 HD21 ASN 20 1HD2 ASN 20 -7.141 -1.815 -15.020 122 HD22 ASN 20 2HD2 ASN 20 -8.223 -2.554 -16.147 123 H GLU 21 H GLU 21 -2.327 -3.152 -17.478 124 HA GLU 21 HA GLU 21 0.091 -3.643 -16.260 125 HB2 GLU 21 1HB GLU 21 -0.710 -1.411 -18.127 126 HB3 GLU 21 2HB GLU 21 0.955 -1.707 -17.645 127 HG2 GLU 21 1HG GLU 21 0.793 -3.978 -18.589 128 HG3 GLU 21 2HG GLU 21 -0.839 -3.604 -19.141 129 H GLY 22 H GLY 22 1.634 -2.171 -15.245 130 HA2 GLY 22 1HA GLY 22 2.234 -0.766 -13.533 131 HA3 GLY 22 2HA GLY 22 0.992 0.313 -14.150 132 H GLU 23 H GLU 23 0.811 -2.897 -12.620 133 HA GLU 23 HA GLU 23 -0.680 -1.693 -10.399 134 HB2 GLU 23 1HB GLU 23 -1.598 -3.943 -12.175 135 HB3 GLU 23 2HB GLU 23 -2.212 -3.754 -10.538 136 HG2 GLU 23 1HG GLU 23 -2.727 -1.320 -11.315 137 HG3 GLU 23 2HG GLU 23 -2.627 -2.025 -12.928 138 H LEU 24 H LEU 24 -0.214 -2.532 -8.444 139 HA LEU 24 HA LEU 24 1.658 -4.799 -8.378 140 HB2 LEU 24 1HB LEU 24 2.586 -2.774 -7.465 141 HB3 LEU 24 2HB LEU 24 1.186 -2.560 -6.417 142 HG LEU 24 HG LEU 24 1.910 -4.789 -5.348 143 HD11 LEU 24 1HD1 LEU 24 4.137 -4.235 -7.193 144 HD12 LEU 24 2HD1 LEU 24 3.573 -5.761 -6.514 145 HD13 LEU 24 3HD1 LEU 24 4.593 -4.692 -5.552 146 HD21 LEU 24 1HD2 LEU 24 2.816 -2.059 -4.968 147 HD22 LEU 24 2HD2 LEU 24 3.968 -3.239 -4.343 148 HD23 LEU 24 3HD2 LEU 24 2.296 -3.254 -3.780 149 H GLY 25 H GLY 25 1.115 -6.643 -7.379 150 HA2 GLY 25 1HA GLY 25 -1.527 -6.756 -6.105 151 HA3 GLY 25 2HA GLY 25 -0.631 -8.129 -6.738 152 H PHE 26 H PHE 26 -1.877 -7.602 -4.077 153 HA PHE 26 HA PHE 26 0.527 -8.089 -2.447 154 HB2 PHE 26 1HB PHE 26 -0.844 -7.103 -0.531 155 HB3 PHE 26 2HB PHE 26 -0.242 -5.969 -1.735 156 HD1 PHE 26 1HD PHE 26 -3.239 -8.174 -1.406 157 HD2 PHE 26 2HD PHE 26 -1.710 -4.284 -2.207 158 HE1 PHE 26 1HE PHE 26 -5.530 -7.353 -1.769 159 HE2 PHE 26 2HE PHE 26 -3.998 -3.456 -2.570 160 HZ PHE 26 HZ PHE 26 -5.912 -4.990 -2.351 161 H LYS 27 H LYS 27 -0.144 -9.174 -0.288 162 HA LYS 27 HA LYS 27 -2.225 -11.192 -0.799 163 HB2 LYS 27 1HB LYS 27 0.506 -11.705 0.395 164 HB3 LYS 27 2HB LYS 27 -0.777 -12.896 0.233 165 HG2 LYS 27 1HG LYS 27 0.097 -11.492 -2.225 166 HG3 LYS 27 2HG LYS 27 1.197 -12.680 -1.522 167 HD2 LYS 27 1HD LYS 27 -0.009 -14.079 -2.847 168 HD3 LYS 27 2HD LYS 27 -1.053 -14.106 -1.425 169 HE2 LYS 27 1HE LYS 27 -2.608 -13.656 -3.035 170 HE3 LYS 27 2HE LYS 27 -2.133 -12.011 -2.617 171 HZ1 LYS 27 1HZ LYS 27 -1.868 -13.378 -5.092 172 HZ2 LYS 27 2HZ LYS 27 -0.363 -12.818 -4.561 173 HZ3 LYS 27 3HZ LYS 27 -1.649 -11.736 -4.749 174 H GLU 28 H GLU 28 -3.552 -11.635 0.874 175 HA GLU 28 HA GLU 28 -3.996 -9.953 2.948 176 HB2 GLU 28 1HB GLU 28 -5.561 -11.710 2.408 177 HB3 GLU 28 2HB GLU 28 -4.410 -12.944 2.903 178 HG2 GLU 28 1HG GLU 28 -4.515 -11.888 5.214 179 HG3 GLU 28 2HG GLU 28 -5.927 -11.015 4.623 180 H GLY 29 H GLY 29 -2.782 -9.266 4.574 181 HA2 GLY 29 1HA GLY 29 -1.675 -9.665 6.651 182 HA3 GLY 29 2HA GLY 29 -1.131 -11.215 6.026 183 H ASP 30 H ASP 30 -0.099 -10.381 3.560 184 HA ASP 30 HA ASP 30 2.496 -9.615 4.281 185 HB2 ASP 30 1HB ASP 30 1.024 -9.829 1.682 186 HB3 ASP 30 2HB ASP 30 2.618 -9.080 1.709 187 H ILE 31 H ILE 31 3.301 -7.707 4.826 188 HA ILE 31 HA ILE 31 1.727 -5.305 4.455 189 HB ILE 31 HB ILE 31 4.278 -5.909 5.920 190 HG12 ILE 31 1HG1 ILE 31 2.885 -4.909 7.803 191 HG13 ILE 31 2HG1 ILE 31 1.521 -4.949 6.691 192 HG21 ILE 31 1HG2 ILE 31 3.273 -3.281 4.985 193 HG22 ILE 31 2HG2 ILE 31 3.922 -3.374 6.621 194 HG23 ILE 31 3HG2 ILE 31 4.927 -3.835 5.247 195 HD11 ILE 31 1HD1 ILE 31 2.597 -7.506 6.580 196 HD12 ILE 31 2HD1 ILE 31 2.656 -7.056 8.285 197 HD13 ILE 31 3HD1 ILE 31 1.125 -7.001 7.411 198 H ILE 32 H ILE 32 2.201 -3.601 3.148 199 HA ILE 32 HA ILE 32 4.465 -3.957 1.296 200 HB ILE 32 HB ILE 32 1.864 -2.516 0.766 201 HG12 ILE 32 1HG1 ILE 32 1.831 -4.499 -1.007 202 HG13 ILE 32 2HG1 ILE 32 2.818 -5.290 0.218 203 HG21 ILE 32 1HG2 ILE 32 2.729 -1.743 -1.149 204 HG22 ILE 32 2HG2 ILE 32 4.292 -2.069 -0.402 205 HG23 ILE 32 3HG2 ILE 32 3.570 -3.255 -1.489 206 HD11 ILE 32 1HD1 ILE 32 0.182 -4.030 0.881 207 HD12 ILE 32 2HD1 ILE 32 0.314 -5.688 0.293 208 HD13 ILE 32 3HD1 ILE 32 1.100 -5.221 1.801 209 H THR 33 H THR 33 6.039 -2.523 1.508 210 HA THR 33 HA THR 33 6.111 -0.415 3.276 211 HB THR 33 HB THR 33 7.648 -0.537 0.674 212 HG1 THR 33 1HG THR 33 7.655 -2.337 2.496 213 HG21 THR 33 1HG2 THR 33 7.721 1.617 1.955 214 HG22 THR 33 2HG2 THR 33 9.286 0.825 1.771 215 HG23 THR 33 3HG2 THR 33 8.420 0.723 3.304 216 H LEU 34 H LEU 34 6.009 1.860 3.040 217 HA LEU 34 HA LEU 34 4.298 2.746 0.810 218 HB2 LEU 34 1HB LEU 34 4.426 3.729 3.655 219 HB3 LEU 34 2HB LEU 34 3.508 4.519 2.374 220 HG LEU 34 HG LEU 34 2.988 1.661 3.127 221 HD11 LEU 34 1HD1 LEU 34 2.747 2.785 5.200 222 HD12 LEU 34 2HD1 LEU 34 1.125 2.581 4.541 223 HD13 LEU 34 3HD1 LEU 34 1.925 4.149 4.443 224 HD21 LEU 34 1HD2 LEU 34 2.094 2.659 1.005 225 HD22 LEU 34 2HD2 LEU 34 1.157 3.772 2.003 226 HD23 LEU 34 3HD2 LEU 34 0.870 2.034 2.111 227 H THR 35 H THR 35 5.025 4.337 -0.454 228 HA THR 35 HA THR 35 7.421 5.814 0.426 229 HB THR 35 HB THR 35 7.993 6.045 -1.988 230 HG1 THR 35 1HG THR 35 6.834 4.947 -3.503 231 HG21 THR 35 1HG2 THR 35 8.393 3.875 -0.303 232 HG22 THR 35 2HG2 THR 35 9.283 4.230 -1.783 233 HG23 THR 35 3HG2 THR 35 7.890 3.150 -1.829 234 H ASN 36 H ASN 36 4.656 6.054 -1.817 235 HA ASN 36 HA ASN 36 4.075 8.720 -0.865 236 HB2 ASN 36 1HB ASN 36 5.340 8.205 -3.509 237 HB3 ASN 36 2HB ASN 36 4.049 9.402 -3.450 238 HD21 ASN 36 1HD2 ASN 36 7.165 9.301 -3.631 239 HD22 ASN 36 2HD2 ASN 36 7.636 10.597 -2.590 240 H GLN 37 H GLN 37 2.182 9.650 -2.246 241 HA GLN 37 HA GLN 37 0.351 7.442 -2.919 242 HB2 GLN 37 1HB GLN 37 -0.354 8.328 -0.808 243 HB3 GLN 37 2HB GLN 37 -0.217 9.982 -1.390 244 HG2 GLN 37 1HG GLN 37 -2.019 9.334 -3.086 245 HG3 GLN 37 2HG GLN 37 -2.285 7.924 -2.061 246 HE21 GLN 37 1HE2 GLN 37 -4.150 8.308 -1.074 247 HE22 GLN 37 2HE2 GLN 37 -4.534 9.730 -0.172 248 H ILE 38 H ILE 38 -0.741 7.598 -4.793 249 HA ILE 38 HA ILE 38 -0.295 10.017 -6.402 250 HB ILE 38 HB ILE 38 -0.960 7.197 -7.245 251 HG12 ILE 38 1HG1 ILE 38 1.289 7.797 -8.559 252 HG13 ILE 38 2HG1 ILE 38 1.501 8.871 -7.181 253 HG21 ILE 38 1HG2 ILE 38 -0.616 8.150 -9.574 254 HG22 ILE 38 2HG2 ILE 38 -2.127 8.562 -8.765 255 HG23 ILE 38 3HG2 ILE 38 -0.818 9.740 -8.838 256 HD11 ILE 38 1HD1 ILE 38 0.709 6.189 -6.401 257 HD12 ILE 38 2HD1 ILE 38 2.224 6.230 -7.303 258 HD13 ILE 38 3HD1 ILE 38 2.046 7.190 -5.835 259 H ASP 39 H ASP 39 -2.790 7.647 -5.535 260 HA ASP 39 HA ASP 39 -4.839 9.520 -6.501 261 HB2 ASP 39 1HB ASP 39 -5.425 6.698 -5.666 262 HB3 ASP 39 2HB ASP 39 -6.280 7.715 -6.823 263 H GLU 40 H GLU 40 -7.001 9.081 -5.138 264 HA GLU 40 HA GLU 40 -6.344 9.980 -2.463 265 HB2 GLU 40 1HB GLU 40 -8.891 9.803 -4.050 266 HB3 GLU 40 2HB GLU 40 -8.919 10.139 -2.325 267 HG2 GLU 40 1HG GLU 40 -7.349 11.774 -4.298 268 HG3 GLU 40 2HG GLU 40 -9.008 12.142 -3.829 269 H ASN 41 H ASN 41 -7.170 7.060 -3.998 270 HA ASN 41 HA ASN 41 -7.645 5.808 -1.378 271 HB2 ASN 41 1HB ASN 41 -9.217 5.573 -3.895 272 HB3 ASN 41 2HB ASN 41 -8.998 4.111 -2.938 273 HD21 ASN 41 1HD2 ASN 41 -10.731 6.979 -3.311 274 HD22 ASN 41 2HD2 ASN 41 -11.640 6.912 -1.844 275 H TRP 42 H TRP 42 -5.395 6.146 -3.535 276 HA TRP 42 HA TRP 42 -4.558 3.325 -3.430 277 HB2 TRP 42 1HB TRP 42 -4.041 5.255 -5.703 278 HB3 TRP 42 2HB TRP 42 -3.471 3.591 -5.610 279 HD1 TRP 42 HD TRP 42 -6.945 5.342 -5.437 280 HE1 TRP 42 1HE TRP 42 -8.604 3.922 -6.800 281 HE3 TRP 42 3HE TRP 42 -3.803 1.572 -6.869 282 HZ2 TRP 42 2HZ TRP 42 -8.584 1.522 -8.285 283 HZ3 TRP 42 3HZ TRP 42 -4.701 -0.248 -8.260 284 HH2 TRP 42 HH TRP 42 -7.043 -0.271 -8.952 285 H TYR 43 H TYR 43 -2.278 2.965 -3.302 286 HA TYR 43 HA TYR 43 -0.710 5.311 -2.471 287 HB2 TYR 43 1HB TYR 43 -1.011 2.674 -1.044 288 HB3 TYR 43 2HB TYR 43 0.378 3.721 -0.774 289 HD1 TYR 43 2HD TYR 43 -0.847 6.388 -0.792 290 HD2 TYR 43 1HD TYR 43 -2.246 2.755 0.924 291 HE1 TYR 43 2HE TYR 43 -2.134 7.673 0.863 292 HE2 TYR 43 1HE TYR 43 -3.539 4.030 2.584 293 HH TYR 43 HH TYR 43 -3.558 7.583 2.561 294 H GLU 44 H GLU 44 1.691 4.718 -2.328 295 HA GLU 44 HA GLU 44 2.400 2.840 -4.481 296 HB2 GLU 44 1HB GLU 44 2.547 5.085 -5.384 297 HB3 GLU 44 2HB GLU 44 3.522 5.607 -4.017 298 HG2 GLU 44 1HG GLU 44 5.032 5.305 -5.775 299 HG3 GLU 44 2HG GLU 44 5.225 3.884 -4.751 300 H GLY 45 H GLY 45 4.220 1.617 -4.179 301 HA2 GLY 45 1HA GLY 45 6.176 2.181 -2.181 302 HA3 GLY 45 2HA GLY 45 5.042 0.958 -1.629 303 H MET 46 H MET 46 7.304 -0.116 -1.602 304 HA MET 46 HA MET 46 7.743 -1.418 -4.209 305 HB2 MET 46 1HB MET 46 9.622 -0.478 -2.106 306 HB3 MET 46 2HB MET 46 10.035 -1.967 -2.945 307 HG2 MET 46 1HG MET 46 10.099 -0.873 -5.043 308 HG3 MET 46 2HG MET 46 9.368 0.585 -4.378 309 HE1 MET 46 1HE MET 46 10.444 2.354 -3.174 310 HE2 MET 46 2HE MET 46 10.992 1.424 -1.780 311 HE3 MET 46 3HE MET 46 12.128 2.450 -2.658 312 H LEU 47 H LEU 47 7.192 -3.486 -4.307 313 HA LEU 47 HA LEU 47 7.515 -5.188 -1.956 314 HB2 LEU 47 1HB LEU 47 5.198 -4.356 -1.907 315 HB3 LEU 47 2HB LEU 47 4.944 -5.012 -3.523 316 HG LEU 47 HG LEU 47 5.562 -7.282 -2.427 317 HD11 LEU 47 1HD1 LEU 47 5.962 -7.295 -0.250 318 HD12 LEU 47 2HD1 LEU 47 4.353 -6.641 0.052 319 HD13 LEU 47 3HD1 LEU 47 5.718 -5.550 -0.182 320 HD21 LEU 47 1HD2 LEU 47 3.126 -7.379 -1.519 321 HD22 LEU 47 2HD2 LEU 47 3.409 -7.122 -3.241 322 HD23 LEU 47 3HD2 LEU 47 3.003 -5.756 -2.199 323 H HIS 48 H HIS 48 8.417 -7.068 -2.486 324 HA HIS 48 HA HIS 48 9.235 -8.804 -3.706 325 HB2 HIS 48 1HB HIS 48 6.724 -8.220 -5.272 326 HB3 HIS 48 2HB HIS 48 7.794 -9.563 -5.663 327 HD1 HIS 48 1HD HIS 48 8.278 -11.116 -3.339 328 HD2 HIS 48 2HD HIS 48 4.713 -9.008 -3.666 329 HE1 HIS 48 1HE HIS 48 6.690 -12.228 -1.737 330 HE2 HIS 48 2HE HIS 48 4.515 -10.990 -2.015 331 H GLY 49 H GLY 49 10.378 -6.302 -4.184 332 HA2 GLY 49 1HA GLY 49 11.828 -5.282 -5.642 333 HA3 GLY 49 2HA GLY 49 11.809 -6.783 -6.554 334 H HIS 50 H HIS 50 8.844 -5.074 -5.999 335 HA HIS 50 HA HIS 50 8.935 -3.978 -8.725 336 HB2 HIS 50 1HB HIS 50 6.621 -5.506 -7.514 337 HB3 HIS 50 2HB HIS 50 6.600 -4.696 -9.077 338 HD1 HIS 50 1HD HIS 50 9.140 -5.636 -10.365 339 HD2 HIS 50 2HD HIS 50 6.718 -8.141 -8.102 340 HE1 HIS 50 1HE HIS 50 9.683 -7.969 -11.132 341 HE2 HIS 50 2HE HIS 50 8.144 -9.461 -9.809 342 H SER 51 H SER 51 7.704 -2.113 -9.078 343 HA SER 51 HA SER 51 6.667 -0.830 -6.635 344 HB2 SER 51 1HB SER 51 8.864 0.077 -7.652 345 HB3 SER 51 2HB SER 51 7.840 0.714 -8.939 346 HG SER 51 HG SER 51 6.597 1.508 -6.896 347 H GLY 52 H GLY 52 4.523 -0.743 -6.759 348 HA2 GLY 52 1HA GLY 52 3.298 0.443 -9.122 349 HA3 GLY 52 2HA GLY 52 2.794 -1.194 -8.730 350 H PHE 53 H PHE 53 0.921 0.772 -8.816 351 HA PHE 53 HA PHE 53 0.466 1.728 -6.107 352 HB2 PHE 53 1HB PHE 53 -1.536 2.057 -8.304 353 HB3 PHE 53 2HB PHE 53 -1.126 3.158 -6.993 354 HD1 PHE 53 2HD PHE 53 1.655 3.631 -7.179 355 HD2 PHE 53 1HD PHE 53 -1.137 3.033 -10.335 356 HE1 PHE 53 2HE PHE 53 3.109 4.903 -8.702 357 HE2 PHE 53 1HE PHE 53 0.313 4.304 -11.863 358 HZ PHE 53 HZ PHE 53 2.439 5.242 -11.047 359 H PHE 54 H PHE 54 -1.321 1.175 -4.840 360 HA PHE 54 HA PHE 54 -2.973 -1.068 -5.729 361 HB2 PHE 54 1HB PHE 54 -2.597 -2.110 -3.410 362 HB3 PHE 54 2HB PHE 54 -1.310 -2.289 -4.598 363 HD1 PHE 54 1HD PHE 54 0.636 -0.646 -4.488 364 HD2 PHE 54 2HD PHE 54 -2.169 -1.167 -1.330 365 HE1 PHE 54 1HE PHE 54 2.235 0.353 -2.907 366 HE2 PHE 54 2HE PHE 54 -0.575 -0.168 0.255 367 HZ PHE 54 HZ PHE 54 1.630 0.595 -0.532 368 HA PRO 55 HA PRO 55 -6.228 1.030 -3.668 369 HB2 PRO 55 1HB PRO 55 -7.771 -1.042 -2.832 370 HB3 PRO 55 2HB PRO 55 -7.647 -0.560 -4.528 371 HG2 PRO 55 1HG PRO 55 -6.250 -2.778 -3.083 372 HG3 PRO 55 2HG PRO 55 -6.996 -2.786 -4.691 373 HD2 PRO 55 1HD PRO 55 -4.324 -2.540 -4.326 374 HD3 PRO 55 2HD PRO 55 -5.178 -1.768 -5.678 375 H ILE 56 H ILE 56 -7.122 1.541 -1.625 376 HA ILE 56 HA ILE 56 -5.429 0.725 0.615 377 HB ILE 56 HB ILE 56 -7.454 2.958 0.419 378 HG12 ILE 56 1HG1 ILE 56 -4.442 3.141 0.574 379 HG13 ILE 56 2HG1 ILE 56 -5.333 3.169 -0.945 380 HG21 ILE 56 1HG2 ILE 56 -5.737 1.966 2.653 381 HG22 ILE 56 2HG2 ILE 56 -6.136 3.680 2.544 382 HG23 ILE 56 3HG2 ILE 56 -7.423 2.482 2.677 383 HD11 ILE 56 1HD1 ILE 56 -5.059 5.401 -0.550 384 HD12 ILE 56 2HD1 ILE 56 -6.627 5.126 0.210 385 HD13 ILE 56 3HD1 ILE 56 -5.171 5.219 1.201 386 H ASN 57 H ASN 57 -8.784 0.716 -0.438 387 HA ASN 57 HA ASN 57 -10.036 -0.034 1.928 388 HB2 ASN 57 1HB ASN 57 -10.656 -0.402 -0.971 389 HB3 ASN 57 2HB ASN 57 -11.617 -1.287 0.210 390 HD21 ASN 57 1HD2 ASN 57 -12.462 0.086 2.036 391 HD22 ASN 57 2HD2 ASN 57 -13.081 1.642 1.613 392 H TYR 58 H TYR 58 -7.762 -1.744 0.112 393 HA TYR 58 HA TYR 58 -8.648 -4.344 1.139 394 HB2 TYR 58 1HB TYR 58 -6.913 -3.468 -1.114 395 HB3 TYR 58 2HB TYR 58 -6.524 -5.002 -0.345 396 HD1 TYR 58 2HD TYR 58 -9.148 -6.108 0.281 397 HD2 TYR 58 1HD TYR 58 -7.861 -3.977 -3.169 398 HE1 TYR 58 2HE TYR 58 -10.892 -7.220 -1.049 399 HE2 TYR 58 1HE TYR 58 -9.602 -5.082 -4.509 400 HH TYR 58 HH TYR 58 -11.095 -6.794 -4.537 401 H VAL 59 H VAL 59 -6.001 -2.040 1.285 402 HA VAL 59 HA VAL 59 -4.710 -3.701 3.348 403 HB VAL 59 HB VAL 59 -2.635 -2.582 2.878 404 HG11 VAL 59 1HG1 VAL 59 -2.541 -4.258 1.387 405 HG12 VAL 59 2HG1 VAL 59 -4.145 -3.908 0.741 406 HG13 VAL 59 3HG1 VAL 59 -2.749 -2.980 0.190 407 HG21 VAL 59 1HG2 VAL 59 -4.270 -0.860 1.025 408 HG22 VAL 59 2HG2 VAL 59 -3.350 -0.351 2.441 409 HG23 VAL 59 3HG2 VAL 59 -2.507 -0.921 1.000 410 H GLU 60 H GLU 60 -4.663 -2.980 5.378 411 HA GLU 60 HA GLU 60 -5.882 -0.438 6.005 412 HB2 GLU 60 1HB GLU 60 -6.053 -2.744 7.270 413 HB3 GLU 60 2HB GLU 60 -4.596 -2.174 8.072 414 HG2 GLU 60 1HG GLU 60 -7.087 -0.513 7.935 415 HG3 GLU 60 2HG GLU 60 -6.820 -1.705 9.205 416 H ILE 61 H ILE 61 -4.910 1.239 7.203 417 HA ILE 61 HA ILE 61 -2.003 1.403 6.822 418 HB ILE 61 HB ILE 61 -4.013 3.609 7.285 419 HG12 ILE 61 1HG1 ILE 61 -4.256 2.699 5.068 420 HG13 ILE 61 2HG1 ILE 61 -3.403 4.233 4.936 421 HG21 ILE 61 1HG2 ILE 61 -1.259 3.592 7.790 422 HG22 ILE 61 2HG2 ILE 61 -1.467 4.472 6.277 423 HG23 ILE 61 3HG2 ILE 61 -2.331 4.991 7.724 424 HD11 ILE 61 1HD1 ILE 61 -2.378 2.658 3.471 425 HD12 ILE 61 2HD1 ILE 61 -1.274 2.962 4.813 426 HD13 ILE 61 3HD1 ILE 61 -2.221 1.475 4.769 427 H LEU 62 H LEU 62 -0.763 1.106 8.540 428 HA LEU 62 HA LEU 62 -1.905 1.434 11.213 429 HB2 LEU 62 1HB LEU 62 0.784 0.291 10.496 430 HB3 LEU 62 2HB LEU 62 -0.090 0.121 12.017 431 HG LEU 62 HG LEU 62 -1.096 -1.037 9.427 432 HD11 LEU 62 1HD1 LEU 62 0.379 -2.591 11.525 433 HD12 LEU 62 2HD1 LEU 62 1.213 -1.862 10.153 434 HD13 LEU 62 3HD1 LEU 62 -0.042 -3.070 9.881 435 HD21 LEU 62 1HD2 LEU 62 -1.825 -2.482 11.759 436 HD22 LEU 62 2HD2 LEU 62 -2.864 -1.596 10.643 437 HD23 LEU 62 3HD2 LEU 62 -2.167 -0.775 12.041 438 H VAL 63 H VAL 63 0.801 2.534 9.223 439 HA VAL 63 HA VAL 63 1.317 4.645 11.216 440 HB VAL 63 HB VAL 63 3.256 3.430 9.242 441 HG11 VAL 63 1HG1 VAL 63 4.639 4.946 11.127 442 HG12 VAL 63 2HG1 VAL 63 4.384 5.339 9.426 443 HG13 VAL 63 3HG1 VAL 63 3.270 5.949 10.650 444 HG21 VAL 63 1HG2 VAL 63 2.970 1.884 10.995 445 HG22 VAL 63 2HG2 VAL 63 4.436 2.777 11.400 446 HG23 VAL 63 3HG2 VAL 63 2.920 3.154 12.217 447 H ALA 64 H ALA 64 0.405 6.476 10.549 448 HA ALA 64 HA ALA 64 -0.275 7.079 7.885 449 HB1 ALA 64 1HB ALA 64 -0.147 8.654 10.418 450 HB2 ALA 64 2HB ALA 64 -0.410 9.484 8.884 451 HB3 ALA 64 3HB ALA 64 -1.541 8.241 9.419 452 H LEU 65 H LEU 65 0.902 7.819 6.247 453 HA LEU 65 HA LEU 65 3.644 8.073 6.256 454 HB2 LEU 65 1HB LEU 65 1.617 9.386 4.456 455 HB3 LEU 65 2HB LEU 65 3.352 9.379 4.143 456 HG LEU 65 HG LEU 65 1.955 6.771 4.509 457 HD11 LEU 65 1HD1 LEU 65 2.015 8.101 1.826 458 HD12 LEU 65 2HD1 LEU 65 0.641 8.303 2.912 459 HD13 LEU 65 3HD1 LEU 65 1.092 6.693 2.353 460 HD21 LEU 65 1HD2 LEU 65 3.666 6.511 2.443 461 HD22 LEU 65 2HD2 LEU 65 4.123 6.280 4.130 462 HD23 LEU 65 3HD2 LEU 65 4.445 7.820 3.332 463 HA PRO 66 HA PRO 66 4.658 11.949 8.052 464 HB2 PRO 66 1HB PRO 66 6.831 12.654 6.585 465 HB3 PRO 66 2HB PRO 66 6.863 11.359 7.788 466 HG2 PRO 66 1HG PRO 66 6.593 11.174 4.812 467 HG3 PRO 66 2HG PRO 66 7.574 10.185 5.910 468 HD2 PRO 66 1HD PRO 66 5.193 9.348 4.930 469 HD3 PRO 66 2HD PRO 66 5.781 8.880 6.539 470 H HIS 67 H HIS 67 3.427 13.701 7.788 471 HA HIS 67 HA HIS 67 2.301 14.636 5.449 472 HB2 HIS 67 1HB HIS 67 1.750 15.302 7.848 473 HB3 HIS 67 2HB HIS 67 3.083 16.448 7.732 474 HD1 HIS 67 1HD HIS 67 2.353 18.712 7.097 475 HD2 HIS 67 2HD HIS 67 -0.165 15.797 5.540 476 HE1 HIS 67 1HE HIS 67 0.545 19.966 5.878 477 HE2 HIS 67 2HE HIS 67 -1.013 18.184 5.017 478 H SER 68 H SER 68 3.439 15.068 3.660 479 HA SER 68 HA SER 68 5.265 17.306 3.685 480 HB2 SER 68 1HB SER 68 6.238 14.593 2.756 481 HB3 SER 68 2HB SER 68 7.134 16.109 2.653 482 HG SER 68 HG SER 68 6.741 16.129 5.063 483 H GLY 69 H GLY 69 6.140 17.647 1.355 484 HA2 GLY 69 1HA GLY 69 5.513 16.903 -1.008 485 HA3 GLY 69 2HA GLY 69 3.866 17.192 -0.467 486 HA PRO 70 HA PRO 70 6.204 21.450 -0.810 487 HB2 PRO 70 1HB PRO 70 8.308 21.422 -2.526 488 HB3 PRO 70 2HB PRO 70 8.479 21.124 -0.792 489 HG2 PRO 70 1HG PRO 70 8.347 19.160 -3.048 490 HG3 PRO 70 2HG PRO 70 9.417 19.170 -1.634 491 HD2 PRO 70 1HD PRO 70 7.216 17.600 -1.785 492 HD3 PRO 70 2HD PRO 70 7.806 18.272 -0.252 493 H SER 71 H SER 71 4.463 22.186 -1.940 494 HA SER 71 HA SER 71 3.174 22.845 -3.695 495 HB2 SER 71 1HB SER 71 5.755 22.606 -5.259 496 HB3 SER 71 2HB SER 71 4.334 23.539 -5.727 497 HG SER 71 HG SER 71 4.701 24.654 -3.622 498 H SER 72 H SER 72 3.143 20.094 -3.115 499 HA SER 72 HA SER 72 2.981 18.834 -5.765 500 HB2 SER 72 1HB SER 72 4.374 17.605 -4.207 501 HB3 SER 72 2HB SER 72 3.089 17.610 -2.999 502 HG SER 72 HG SER 72 2.450 15.830 -3.892 503 H GLY 73 H GLY 73 1.044 18.674 -6.667 504 HA2 GLY 73 1HA GLY 73 -1.337 18.970 -4.986 505 HA3 GLY 73 2HA GLY 73 -1.278 19.137 -6.734 Start of MODEL 15 1 H1 GLY 1 H GLY 1 19.126 -2.541 18.222 2 HA2 GLY 1 1HA GLY 1 18.674 -4.320 16.599 3 HA3 GLY 1 2HA GLY 1 18.148 -4.838 18.193 4 H SER 2 H SER 2 17.112 -3.620 15.079 5 HA SER 2 HA SER 2 14.430 -4.684 15.634 6 HB2 SER 2 1HB SER 2 15.022 -2.046 14.269 7 HB3 SER 2 2HB SER 2 13.426 -2.782 14.411 8 HG SER 2 HG SER 2 14.133 -2.766 16.816 9 H SER 3 H SER 3 13.318 -5.509 13.839 10 HA SER 3 HA SER 3 14.584 -5.493 11.235 11 HB2 SER 3 1HB SER 3 15.636 -7.375 12.651 12 HB3 SER 3 2HB SER 3 14.077 -8.183 12.493 13 HG SER 3 HG SER 3 14.626 -8.733 10.551 14 H GLY 4 H GLY 4 13.147 -5.804 9.599 15 HA2 GLY 4 1HA GLY 4 11.009 -7.164 9.099 16 HA3 GLY 4 2HA GLY 4 10.348 -6.203 10.414 17 H SER 5 H SER 5 9.760 -4.097 10.059 18 HA SER 5 HA SER 5 10.030 -3.136 7.285 19 HB2 SER 5 1HB SER 5 7.686 -2.942 9.179 20 HB3 SER 5 2HB SER 5 7.828 -1.933 7.739 21 HG SER 5 HG SER 5 7.698 -4.764 7.855 22 H SER 6 H SER 6 10.890 -1.175 7.002 23 HA SER 6 HA SER 6 11.394 0.453 9.401 24 HB2 SER 6 1HB SER 6 13.374 -0.442 8.094 25 HB3 SER 6 2HB SER 6 12.880 0.617 6.774 26 HG SER 6 HG SER 6 12.972 2.328 8.472 27 H GLY 7 H GLY 7 9.999 2.077 9.587 28 HA2 GLY 7 1HA GLY 7 9.301 4.252 8.893 29 HA3 GLY 7 2HA GLY 7 9.490 3.743 7.221 30 HA PRO 8 HA PRO 8 4.973 3.693 8.151 31 HB2 PRO 8 1HB PRO 8 4.246 4.756 5.761 32 HB3 PRO 8 2HB PRO 8 4.709 5.744 7.151 33 HG2 PRO 8 1HG PRO 8 6.338 4.940 4.772 34 HG3 PRO 8 2HG PRO 8 6.237 6.517 5.577 35 HD2 PRO 8 1HD PRO 8 8.283 4.794 5.999 36 HD3 PRO 8 2HD PRO 8 7.683 5.891 7.259 37 H CYS 9 H CYS 9 3.913 1.849 7.825 38 HA CYS 9 HA CYS 9 4.085 0.531 5.215 39 HB2 CYS 9 1HB CYS 9 4.472 -1.641 6.199 40 HB3 CYS 9 2HB CYS 9 5.734 -0.543 6.742 41 HG CYS 9 HG CYS 9 4.295 -2.519 8.621 42 H CYS 10 H CYS 10 2.425 -1.259 5.044 43 HA CYS 10 HA CYS 10 0.033 -0.657 6.644 44 HB2 CYS 10 1HB CYS 10 -1.367 -0.606 4.722 45 HB3 CYS 10 2HB CYS 10 -0.005 0.450 4.366 46 HG CYS 10 HG CYS 10 -1.154 -1.929 2.547 47 H ARG 11 H ARG 11 -1.682 -2.378 6.338 48 HA ARG 11 HA ARG 11 -0.395 -5.020 6.105 49 HB2 ARG 11 1HB ARG 11 -1.043 -4.371 8.431 50 HB3 ARG 11 2HB ARG 11 -2.717 -4.293 7.897 51 HG2 ARG 11 1HG ARG 11 -2.699 -6.396 8.745 52 HG3 ARG 11 2HG ARG 11 -2.194 -6.757 7.093 53 HD2 ARG 11 1HD ARG 11 -0.003 -7.130 7.702 54 HD3 ARG 11 2HD ARG 11 -0.126 -6.129 9.148 55 HE ARG 11 HE ARG 11 -1.771 -8.458 9.299 56 HH11 ARG 11 2HH1 ARG 11 1.485 -7.284 9.677 57 HH12 ARG 11 1HH1 ARG 11 1.943 -8.528 10.792 58 HH21 ARG 11 2HH2 ARG 11 -1.180 -10.101 10.766 59 HH22 ARG 11 1HH2 ARG 11 0.427 -10.131 11.410 60 H ALA 12 H ALA 12 -1.376 -6.553 4.886 61 HA ALA 12 HA ALA 12 -3.673 -5.691 3.299 62 HB1 ALA 12 1HB ALA 12 -1.363 -7.367 2.832 63 HB2 ALA 12 2HB ALA 12 -2.858 -8.170 2.352 64 HB3 ALA 12 3HB ALA 12 -2.448 -6.593 1.676 65 H LEU 13 H LEU 13 -5.658 -6.500 3.552 66 HA LEU 13 HA LEU 13 -6.082 -8.530 5.595 67 HB2 LEU 13 1HB LEU 13 -8.174 -7.039 4.031 68 HB3 LEU 13 2HB LEU 13 -8.372 -7.889 5.562 69 HG LEU 13 HG LEU 13 -6.505 -5.571 5.459 70 HD11 LEU 13 1HD1 LEU 13 -9.450 -5.161 5.854 71 HD12 LEU 13 2HD1 LEU 13 -8.688 -4.972 4.275 72 HD13 LEU 13 3HD1 LEU 13 -8.185 -3.954 5.625 73 HD21 LEU 13 1HD2 LEU 13 -7.173 -5.312 7.740 74 HD22 LEU 13 2HD2 LEU 13 -6.806 -7.015 7.470 75 HD23 LEU 13 3HD2 LEU 13 -8.484 -6.475 7.544 76 H TYR 14 H TYR 14 -6.295 -8.121 2.145 77 HA TYR 14 HA TYR 14 -6.863 -10.975 1.875 78 HB2 TYR 14 1HB TYR 14 -8.417 -8.816 0.434 79 HB3 TYR 14 2HB TYR 14 -8.528 -10.539 0.093 80 HD1 TYR 14 2HD TYR 14 -9.093 -12.026 2.224 81 HD2 TYR 14 1HD TYR 14 -9.991 -7.885 1.841 82 HE1 TYR 14 2HE TYR 14 -10.849 -12.255 3.931 83 HE2 TYR 14 1HE TYR 14 -11.749 -8.102 3.548 84 HH TYR 14 HH TYR 14 -12.660 -11.236 4.859 85 H ASP 15 H ASP 15 -6.876 -11.394 -0.705 86 HA ASP 15 HA ASP 15 -4.310 -10.303 -1.624 87 HB2 ASP 15 1HB ASP 15 -4.528 -12.307 -3.270 88 HB3 ASP 15 2HB ASP 15 -4.094 -12.620 -1.592 89 H PHE 16 H PHE 16 -4.041 -9.673 -3.816 90 HA PHE 16 HA PHE 16 -6.471 -9.260 -5.383 91 HB2 PHE 16 1HB PHE 16 -6.368 -7.184 -4.228 92 HB3 PHE 16 2HB PHE 16 -4.625 -7.068 -4.446 93 HD1 PHE 16 2HD PHE 16 -7.721 -7.338 -6.511 94 HD2 PHE 16 1HD PHE 16 -3.847 -5.635 -6.055 95 HE1 PHE 16 2HE PHE 16 -8.069 -6.007 -8.551 96 HE2 PHE 16 1HE PHE 16 -4.189 -4.300 -8.094 97 HZ PHE 16 HZ PHE 16 -6.302 -4.486 -9.345 98 H GLU 17 H GLU 17 -6.082 -8.836 -7.620 99 HA GLU 17 HA GLU 17 -3.375 -9.607 -8.492 100 HB2 GLU 17 1HB GLU 17 -6.084 -10.368 -9.529 101 HB3 GLU 17 2HB GLU 17 -4.693 -10.386 -10.604 102 HG2 GLU 17 1HG GLU 17 -4.659 -11.837 -7.986 103 HG3 GLU 17 2HG GLU 17 -5.352 -12.562 -9.436 104 HA PRO 18 HA PRO 18 -3.142 -5.769 -10.635 105 HB2 PRO 18 1HB PRO 18 -1.268 -6.427 -12.486 106 HB3 PRO 18 2HB PRO 18 -0.883 -6.163 -10.781 107 HG2 PRO 18 1HG PRO 18 -1.294 -8.736 -12.254 108 HG3 PRO 18 2HG PRO 18 -0.056 -8.319 -11.055 109 HD2 PRO 18 1HD PRO 18 -2.258 -9.766 -10.432 110 HD3 PRO 18 2HD PRO 18 -1.482 -8.663 -9.277 111 H GLU 19 H GLU 19 -4.411 -4.888 -12.140 112 HA GLU 19 HA GLU 19 -5.607 -6.601 -14.170 113 HB2 GLU 19 1HB GLU 19 -6.942 -4.999 -12.717 114 HB3 GLU 19 2HB GLU 19 -6.216 -3.694 -13.645 115 HG2 GLU 19 1HG GLU 19 -7.327 -4.290 -15.594 116 HG3 GLU 19 2HG GLU 19 -7.667 -5.920 -15.016 117 H ASN 20 H ASN 20 -3.575 -3.731 -13.914 118 HA ASN 20 HA ASN 20 -2.806 -4.105 -16.718 119 HB2 ASN 20 1HB ASN 20 -2.685 -1.448 -16.672 120 HB3 ASN 20 2HB ASN 20 -4.159 -2.298 -17.126 121 HD21 ASN 20 1HD2 ASN 20 -2.495 -1.016 -14.273 122 HD22 ASN 20 2HD2 ASN 20 -3.924 -0.459 -13.478 123 H GLU 21 H GLU 21 -0.883 -2.471 -17.169 124 HA GLU 21 HA GLU 21 1.299 -3.335 -15.683 125 HB2 GLU 21 1HB GLU 21 1.081 -0.799 -17.315 126 HB3 GLU 21 2HB GLU 21 2.578 -1.579 -16.822 127 HG2 GLU 21 1HG GLU 21 1.827 -3.599 -18.113 128 HG3 GLU 21 2HG GLU 21 0.517 -2.607 -18.751 129 H GLY 22 H GLY 22 -0.850 -0.643 -15.162 130 HA2 GLY 22 1HA GLY 22 0.885 0.504 -13.112 131 HA3 GLY 22 2HA GLY 22 -0.635 1.176 -13.685 132 H GLU 23 H GLU 23 0.111 -2.059 -12.420 133 HA GLU 23 HA GLU 23 -1.543 -1.493 -10.071 134 HB2 GLU 23 1HB GLU 23 -2.022 -3.664 -12.097 135 HB3 GLU 23 2HB GLU 23 -2.572 -3.830 -10.436 136 HG2 GLU 23 1HG GLU 23 -3.294 -1.364 -11.926 137 HG3 GLU 23 2HG GLU 23 -4.135 -2.864 -12.312 138 H LEU 24 H LEU 24 -1.016 -2.665 -8.248 139 HA LEU 24 HA LEU 24 1.334 -4.427 -8.491 140 HB2 LEU 24 1HB LEU 24 1.820 -2.230 -7.451 141 HB3 LEU 24 2HB LEU 24 0.654 -2.608 -6.185 142 HG LEU 24 HG LEU 24 2.131 -4.634 -5.677 143 HD11 LEU 24 1HD1 LEU 24 4.427 -4.523 -6.358 144 HD12 LEU 24 2HD1 LEU 24 4.148 -3.005 -7.211 145 HD13 LEU 24 3HD1 LEU 24 3.411 -4.495 -7.800 146 HD21 LEU 24 1HD2 LEU 24 1.964 -2.606 -4.278 147 HD22 LEU 24 2HD2 LEU 24 3.277 -1.883 -5.208 148 HD23 LEU 24 3HD2 LEU 24 3.571 -3.331 -4.243 149 H GLY 25 H GLY 25 0.471 -6.425 -8.336 150 HA2 GLY 25 1HA GLY 25 -1.773 -7.067 -6.710 151 HA3 GLY 25 2HA GLY 25 -0.700 -8.217 -7.494 152 H PHE 26 H PHE 26 -1.913 -7.625 -4.637 153 HA PHE 26 HA PHE 26 0.591 -8.203 -3.194 154 HB2 PHE 26 1HB PHE 26 -0.585 -7.263 -1.176 155 HB3 PHE 26 2HB PHE 26 -0.231 -6.086 -2.437 156 HD1 PHE 26 1HD PHE 26 -2.972 -8.419 -1.448 157 HD2 PHE 26 2HD PHE 26 -1.887 -4.602 -2.987 158 HE1 PHE 26 1HE PHE 26 -5.344 -7.768 -1.498 159 HE2 PHE 26 2HE PHE 26 -4.257 -3.944 -3.038 160 HZ PHE 26 HZ PHE 26 -5.989 -5.528 -2.293 161 H LYS 27 H LYS 27 0.214 -9.464 -1.139 162 HA LYS 27 HA LYS 27 -1.779 -11.573 -1.648 163 HB2 LYS 27 1HB LYS 27 1.024 -11.641 -0.628 164 HB3 LYS 27 2HB LYS 27 -0.108 -12.845 -0.026 165 HG2 LYS 27 1HG LYS 27 0.834 -13.931 -1.817 166 HG3 LYS 27 2HG LYS 27 -0.619 -13.240 -2.542 167 HD2 LYS 27 1HD LYS 27 0.774 -11.300 -3.285 168 HD3 LYS 27 2HD LYS 27 2.197 -12.175 -2.716 169 HE2 LYS 27 1HE LYS 27 2.083 -12.639 -5.013 170 HE3 LYS 27 2HE LYS 27 1.428 -14.076 -4.229 171 HZ1 LYS 27 1HZ LYS 27 -0.145 -11.884 -5.471 172 HZ2 LYS 27 2HZ LYS 27 -0.809 -13.206 -4.651 173 HZ3 LYS 27 3HZ LYS 27 0.054 -13.448 -6.085 174 H GLU 28 H GLU 28 -2.489 -12.744 0.364 175 HA GLU 28 HA GLU 28 -3.587 -10.864 2.196 176 HB2 GLU 28 1HB GLU 28 -4.778 -12.911 1.555 177 HB3 GLU 28 2HB GLU 28 -3.528 -13.884 2.318 178 HG2 GLU 28 1HG GLU 28 -4.134 -12.560 4.453 179 HG3 GLU 28 2HG GLU 28 -5.617 -12.167 3.585 180 H GLY 29 H GLY 29 -2.997 -10.326 4.235 181 HA2 GLY 29 1HA GLY 29 -1.724 -10.179 6.143 182 HA3 GLY 29 2HA GLY 29 -1.234 -11.841 5.854 183 H ASP 30 H ASP 30 -0.692 -9.399 3.443 184 HA ASP 30 HA ASP 30 2.196 -9.648 3.924 185 HB2 ASP 30 1HB ASP 30 0.579 -9.031 1.461 186 HB3 ASP 30 2HB ASP 30 2.301 -8.669 1.540 187 H ILE 31 H ILE 31 3.543 -7.792 3.796 188 HA ILE 31 HA ILE 31 2.140 -5.310 4.524 189 HB ILE 31 HB ILE 31 5.032 -5.968 5.073 190 HG12 ILE 31 1HG1 ILE 31 3.263 -7.497 6.170 191 HG13 ILE 31 2HG1 ILE 31 4.467 -6.747 7.212 192 HG21 ILE 31 1HG2 ILE 31 4.949 -4.119 6.605 193 HG22 ILE 31 2HG2 ILE 31 4.374 -3.577 5.029 194 HG23 ILE 31 3HG2 ILE 31 3.221 -3.908 6.322 195 HD11 ILE 31 1HD1 ILE 31 1.848 -5.393 6.789 196 HD12 ILE 31 2HD1 ILE 31 1.963 -6.760 7.897 197 HD13 ILE 31 3HD1 ILE 31 2.945 -5.321 8.168 198 H ILE 32 H ILE 32 2.027 -3.863 2.949 199 HA ILE 32 HA ILE 32 4.057 -3.855 0.842 200 HB ILE 32 HB ILE 32 1.404 -2.420 0.997 201 HG12 ILE 32 1HG1 ILE 32 1.093 -4.077 -1.052 202 HG13 ILE 32 2HG1 ILE 32 2.315 -5.004 -0.189 203 HG21 ILE 32 1HG2 ILE 32 2.785 -1.081 -0.353 204 HG22 ILE 32 2HG2 ILE 32 3.536 -2.481 -1.116 205 HG23 ILE 32 3HG2 ILE 32 1.861 -2.072 -1.482 206 HD11 ILE 32 1HD1 ILE 32 -0.222 -5.425 0.229 207 HD12 ILE 32 2HD1 ILE 32 0.922 -5.453 1.571 208 HD13 ILE 32 3HD1 ILE 32 -0.074 -4.024 1.290 209 H THR 33 H THR 33 5.724 -2.530 1.059 210 HA THR 33 HA THR 33 6.027 -0.554 2.978 211 HB THR 33 HB THR 33 7.398 -0.828 0.299 212 HG1 THR 33 1HG THR 33 8.792 -2.065 1.379 213 HG21 THR 33 1HG2 THR 33 8.031 0.970 2.639 214 HG22 THR 33 2HG2 THR 33 7.670 1.452 0.981 215 HG23 THR 33 3HG2 THR 33 9.172 0.603 1.346 216 H LEU 34 H LEU 34 6.170 1.767 2.769 217 HA LEU 34 HA LEU 34 4.358 2.857 0.716 218 HB2 LEU 34 1HB LEU 34 4.630 3.651 3.610 219 HB3 LEU 34 2HB LEU 34 3.712 4.564 2.414 220 HG LEU 34 HG LEU 34 3.112 1.742 3.301 221 HD11 LEU 34 1HD1 LEU 34 2.672 4.037 4.717 222 HD12 LEU 34 2HD1 LEU 34 1.738 2.549 4.866 223 HD13 LEU 34 3HD1 LEU 34 1.161 3.850 3.825 224 HD21 LEU 34 1HD2 LEU 34 0.881 2.804 2.086 225 HD22 LEU 34 2HD2 LEU 34 2.000 1.644 1.369 226 HD23 LEU 34 3HD2 LEU 34 2.205 3.370 1.067 227 H THR 35 H THR 35 5.074 4.553 -0.429 228 HA THR 35 HA THR 35 7.478 5.965 0.516 229 HB THR 35 HB THR 35 7.987 6.122 -2.064 230 HG1 THR 35 1HG THR 35 5.927 4.667 -2.252 231 HG21 THR 35 1HG2 THR 35 8.649 4.030 -0.067 232 HG22 THR 35 2HG2 THR 35 9.704 5.164 -0.911 233 HG23 THR 35 3HG2 THR 35 9.113 3.723 -1.740 234 H ASN 36 H ASN 36 4.706 6.013 -1.697 235 HA ASN 36 HA ASN 36 4.166 8.759 -1.059 236 HB2 ASN 36 1HB ASN 36 6.000 8.614 -2.963 237 HB3 ASN 36 2HB ASN 36 4.595 8.317 -3.982 238 HD21 ASN 36 1HD2 ASN 36 4.905 10.258 -5.075 239 HD22 ASN 36 2HD2 ASN 36 4.520 11.782 -4.358 240 H GLN 37 H GLN 37 2.300 9.569 -2.543 241 HA GLN 37 HA GLN 37 0.508 7.321 -3.167 242 HB2 GLN 37 1HB GLN 37 -0.336 8.075 -1.110 243 HB3 GLN 37 2HB GLN 37 -0.039 9.763 -1.504 244 HG2 GLN 37 1HG GLN 37 -1.813 9.586 -3.249 245 HG3 GLN 37 2HG GLN 37 -2.176 7.975 -2.633 246 HE21 GLN 37 1HE2 GLN 37 -4.134 8.253 -1.760 247 HE22 GLN 37 2HE2 GLN 37 -4.508 9.384 -0.510 248 H ILE 38 H ILE 38 -0.765 7.539 -4.956 249 HA ILE 38 HA ILE 38 -0.292 9.946 -6.583 250 HB ILE 38 HB ILE 38 -0.978 7.129 -7.420 251 HG12 ILE 38 1HG1 ILE 38 1.208 7.586 -8.769 252 HG13 ILE 38 2HG1 ILE 38 1.462 8.872 -7.595 253 HG21 ILE 38 1HG2 ILE 38 -2.208 8.520 -8.883 254 HG22 ILE 38 2HG2 ILE 38 -0.880 9.669 -9.026 255 HG23 ILE 38 3HG2 ILE 38 -0.743 8.069 -9.754 256 HD11 ILE 38 1HD1 ILE 38 2.515 6.559 -7.183 257 HD12 ILE 38 2HD1 ILE 38 1.727 7.390 -5.842 258 HD13 ILE 38 3HD1 ILE 38 0.891 6.086 -6.685 259 H ASP 39 H ASP 39 -2.781 7.587 -5.672 260 HA ASP 39 HA ASP 39 -4.841 9.473 -6.587 261 HB2 ASP 39 1HB ASP 39 -5.327 6.613 -5.773 262 HB3 ASP 39 2HB ASP 39 -6.337 7.652 -6.775 263 H GLU 40 H GLU 40 -6.962 9.123 -5.187 264 HA GLU 40 HA GLU 40 -6.226 9.958 -2.511 265 HB2 GLU 40 1HB GLU 40 -8.755 9.971 -4.116 266 HB3 GLU 40 2HB GLU 40 -8.835 10.153 -2.369 267 HG2 GLU 40 1HG GLU 40 -8.805 12.332 -3.170 268 HG3 GLU 40 2HG GLU 40 -7.142 12.039 -2.664 269 H ASN 41 H ASN 41 -7.051 7.073 -4.040 270 HA ASN 41 HA ASN 41 -7.663 5.833 -1.442 271 HB2 ASN 41 1HB ASN 41 -9.100 5.577 -4.043 272 HB3 ASN 41 2HB ASN 41 -8.960 4.139 -3.035 273 HD21 ASN 41 1HD2 ASN 41 -9.318 4.859 -0.571 274 HD22 ASN 41 2HD2 ASN 41 -10.817 5.682 -0.325 275 H TRP 42 H TRP 42 -5.332 6.143 -3.544 276 HA TRP 42 HA TRP 42 -4.523 3.314 -3.394 277 HB2 TRP 42 1HB TRP 42 -3.852 5.275 -5.598 278 HB3 TRP 42 2HB TRP 42 -3.295 3.607 -5.498 279 HD1 TRP 42 HD TRP 42 -6.799 5.307 -5.415 280 HE1 TRP 42 1HE TRP 42 -8.365 3.943 -6.935 281 HE3 TRP 42 3HE TRP 42 -3.512 1.700 -6.937 282 HZ2 TRP 42 2HZ TRP 42 -8.226 1.642 -8.564 283 HZ3 TRP 42 3HZ TRP 42 -4.309 -0.047 -8.476 284 HH2 TRP 42 HH TRP 42 -6.617 -0.074 -9.271 285 H TYR 43 H TYR 43 -2.135 3.011 -3.436 286 HA TYR 43 HA TYR 43 -0.677 5.284 -2.282 287 HB2 TYR 43 1HB TYR 43 -0.997 2.531 -1.120 288 HB3 TYR 43 2HB TYR 43 0.430 3.496 -0.761 289 HD1 TYR 43 2HD TYR 43 -0.677 6.193 -0.501 290 HD2 TYR 43 1HD TYR 43 -2.239 2.471 0.843 291 HE1 TYR 43 2HE TYR 43 -1.910 7.360 1.279 292 HE2 TYR 43 1HE TYR 43 -3.477 3.627 2.625 293 HH TYR 43 HH TYR 43 -3.971 5.576 3.559 294 H GLU 44 H GLU 44 1.719 4.849 -2.213 295 HA GLU 44 HA GLU 44 2.528 3.224 -4.535 296 HB2 GLU 44 1HB GLU 44 2.601 5.848 -4.653 297 HB3 GLU 44 2HB GLU 44 4.071 5.651 -3.710 298 HG2 GLU 44 1HG GLU 44 4.846 4.051 -5.511 299 HG3 GLU 44 2HG GLU 44 3.489 4.635 -6.472 300 H GLY 45 H GLY 45 4.102 1.773 -4.209 301 HA2 GLY 45 1HA GLY 45 6.153 2.110 -2.241 302 HA3 GLY 45 2HA GLY 45 4.939 0.948 -1.727 303 H MET 46 H MET 46 7.236 -0.181 -1.842 304 HA MET 46 HA MET 46 7.466 -1.437 -4.496 305 HB2 MET 46 1HB MET 46 9.480 -0.671 -2.447 306 HB3 MET 46 2HB MET 46 9.778 -2.146 -3.358 307 HG2 MET 46 1HG MET 46 9.609 -0.888 -5.447 308 HG3 MET 46 2HG MET 46 9.323 0.589 -4.528 309 HE1 MET 46 1HE MET 46 12.373 1.317 -2.656 310 HE2 MET 46 2HE MET 46 11.927 2.232 -4.096 311 HE3 MET 46 3HE MET 46 10.672 1.605 -3.026 312 H LEU 47 H LEU 47 7.025 -3.542 -4.671 313 HA LEU 47 HA LEU 47 7.181 -5.259 -2.311 314 HB2 LEU 47 1HB LEU 47 4.836 -4.320 -2.628 315 HB3 LEU 47 2HB LEU 47 4.760 -5.299 -4.092 316 HG LEU 47 HG LEU 47 5.204 -7.307 -2.621 317 HD11 LEU 47 1HD1 LEU 47 5.935 -6.770 -0.570 318 HD12 LEU 47 2HD1 LEU 47 4.222 -6.576 -0.203 319 HD13 LEU 47 3HD1 LEU 47 5.200 -5.167 -0.613 320 HD21 LEU 47 1HD2 LEU 47 3.018 -7.603 -2.841 321 HD22 LEU 47 2HD2 LEU 47 2.831 -5.880 -3.170 322 HD23 LEU 47 3HD2 LEU 47 2.706 -6.481 -1.516 323 H HIS 48 H HIS 48 7.588 -7.413 -2.754 324 HA HIS 48 HA HIS 48 8.614 -9.095 -3.913 325 HB2 HIS 48 1HB HIS 48 7.364 -9.612 -6.134 326 HB3 HIS 48 2HB HIS 48 6.495 -9.764 -4.610 327 HD1 HIS 48 1HD HIS 48 6.762 -7.555 -7.639 328 HD2 HIS 48 2HD HIS 48 4.362 -8.026 -4.280 329 HE1 HIS 48 1HE HIS 48 4.764 -6.077 -8.027 330 HE2 HIS 48 2HE HIS 48 3.368 -6.313 -5.944 331 H GLY 49 H GLY 49 9.701 -6.403 -4.317 332 HA2 GLY 49 1HA GLY 49 11.492 -5.573 -5.515 333 HA3 GLY 49 2HA GLY 49 11.443 -7.023 -6.508 334 H HIS 50 H HIS 50 8.622 -5.023 -6.098 335 HA HIS 50 HA HIS 50 9.071 -3.688 -8.653 336 HB2 HIS 50 1HB HIS 50 6.835 -5.628 -8.102 337 HB3 HIS 50 2HB HIS 50 6.687 -4.371 -9.326 338 HD1 HIS 50 1HD HIS 50 9.194 -4.459 -10.859 339 HD2 HIS 50 2HD HIS 50 7.446 -7.922 -9.372 340 HE1 HIS 50 1HE HIS 50 10.100 -6.330 -12.274 341 HE2 HIS 50 2HE HIS 50 8.963 -8.405 -11.410 342 H SER 51 H SER 51 8.409 -1.642 -8.574 343 HA SER 51 HA SER 51 6.807 -0.788 -6.285 344 HB2 SER 51 1HB SER 51 7.664 1.387 -6.632 345 HB3 SER 51 2HB SER 51 9.024 0.315 -6.965 346 HG SER 51 HG SER 51 8.179 0.481 -9.249 347 H GLY 52 H GLY 52 4.676 -0.804 -6.592 348 HA2 GLY 52 1HA GLY 52 3.620 0.512 -8.994 349 HA3 GLY 52 2HA GLY 52 3.056 -1.107 -8.608 350 H PHE 53 H PHE 53 1.086 0.553 -8.778 351 HA PHE 53 HA PHE 53 0.548 1.666 -6.118 352 HB2 PHE 53 1HB PHE 53 -1.312 2.036 -8.429 353 HB3 PHE 53 2HB PHE 53 -0.957 3.127 -7.094 354 HD1 PHE 53 2HD PHE 53 1.991 3.230 -7.227 355 HD2 PHE 53 1HD PHE 53 -0.929 3.322 -10.323 356 HE1 PHE 53 2HE PHE 53 3.555 4.475 -8.661 357 HE2 PHE 53 1HE PHE 53 0.631 4.566 -11.762 358 HZ PHE 53 HZ PHE 53 2.876 5.145 -10.932 359 H PHE 54 H PHE 54 -1.025 0.892 -4.816 360 HA PHE 54 HA PHE 54 -2.749 -1.250 -5.863 361 HB2 PHE 54 1HB PHE 54 -2.502 -2.319 -3.556 362 HB3 PHE 54 2HB PHE 54 -1.117 -2.442 -4.636 363 HD1 PHE 54 1HD PHE 54 0.681 -0.569 -4.373 364 HD2 PHE 54 2HD PHE 54 -2.186 -1.587 -1.397 365 HE1 PHE 54 1HE PHE 54 2.117 0.441 -2.649 366 HE2 PHE 54 2HE PHE 54 -0.756 -0.577 0.331 367 HZ PHE 54 HZ PHE 54 1.398 0.440 -0.294 368 HA PRO 55 HA PRO 55 -6.111 0.874 -4.006 369 HB2 PRO 55 1HB PRO 55 -7.739 -1.195 -3.341 370 HB3 PRO 55 2HB PRO 55 -7.485 -0.670 -5.010 371 HG2 PRO 55 1HG PRO 55 -6.227 -2.947 -3.528 372 HG3 PRO 55 2HG PRO 55 -6.854 -2.901 -5.186 373 HD2 PRO 55 1HD PRO 55 -4.213 -2.706 -4.621 374 HD3 PRO 55 2HD PRO 55 -4.956 -1.886 -6.010 375 H ILE 56 H ILE 56 -6.982 1.478 -2.030 376 HA ILE 56 HA ILE 56 -5.569 0.440 0.310 377 HB ILE 56 HB ILE 56 -7.328 2.884 0.069 378 HG12 ILE 56 1HG1 ILE 56 -4.330 2.856 0.345 379 HG13 ILE 56 2HG1 ILE 56 -5.103 2.802 -1.235 380 HG21 ILE 56 1HG2 ILE 56 -7.327 2.840 2.292 381 HG22 ILE 56 2HG2 ILE 56 -6.179 1.503 2.329 382 HG23 ILE 56 3HG2 ILE 56 -5.595 3.164 2.224 383 HD11 ILE 56 1HD1 ILE 56 -4.785 5.028 0.636 384 HD12 ILE 56 2HD1 ILE 56 -4.948 5.027 -1.120 385 HD13 ILE 56 3HD1 ILE 56 -6.382 4.902 -0.102 386 H ASN 57 H ASN 57 -8.490 0.014 -1.258 387 HA ASN 57 HA ASN 57 -10.181 -0.296 1.042 388 HB2 ASN 57 1HB ASN 57 -10.529 -1.110 -1.850 389 HB3 ASN 57 2HB ASN 57 -11.770 -1.313 -0.617 390 HD21 ASN 57 1HD2 ASN 57 -12.590 0.599 0.421 391 HD22 ASN 57 2HD2 ASN 57 -12.603 2.099 -0.436 392 H TYR 58 H TYR 58 -7.604 -2.002 0.202 393 HA TYR 58 HA TYR 58 -8.776 -4.553 1.096 394 HB2 TYR 58 1HB TYR 58 -6.825 -3.986 -1.093 395 HB3 TYR 58 2HB TYR 58 -6.667 -5.492 -0.196 396 HD1 TYR 58 2HD TYR 58 -9.317 -6.433 0.242 397 HD2 TYR 58 1HD TYR 58 -7.779 -4.381 -3.153 398 HE1 TYR 58 2HE TYR 58 -11.063 -7.454 -1.159 399 HE2 TYR 58 1HE TYR 58 -9.521 -5.394 -4.563 400 HH TYR 58 HH TYR 58 -12.185 -6.549 -3.647 401 H VAL 59 H VAL 59 -6.234 -2.215 1.372 402 HA VAL 59 HA VAL 59 -5.023 -3.801 3.543 403 HB VAL 59 HB VAL 59 -2.917 -2.810 3.126 404 HG11 VAL 59 1HG1 VAL 59 -3.872 -3.175 0.317 405 HG12 VAL 59 2HG1 VAL 59 -2.373 -3.721 1.074 406 HG13 VAL 59 3HG1 VAL 59 -3.895 -4.534 1.440 407 HG21 VAL 59 1HG2 VAL 59 -2.655 -1.076 1.302 408 HG22 VAL 59 2HG2 VAL 59 -4.410 -0.904 1.338 409 HG23 VAL 59 3HG2 VAL 59 -3.458 -0.533 2.776 410 H GLU 60 H GLU 60 -4.348 -2.686 5.430 411 HA GLU 60 HA GLU 60 -5.799 -0.162 5.866 412 HB2 GLU 60 1HB GLU 60 -6.239 -2.391 7.223 413 HB3 GLU 60 2HB GLU 60 -4.840 -1.845 8.137 414 HG2 GLU 60 1HG GLU 60 -6.560 -0.938 9.345 415 HG3 GLU 60 2HG GLU 60 -6.141 0.400 8.276 416 H ILE 61 H ILE 61 -4.737 1.610 6.566 417 HA ILE 61 HA ILE 61 -1.840 1.520 6.558 418 HB ILE 61 HB ILE 61 -3.791 3.810 6.758 419 HG12 ILE 61 1HG1 ILE 61 -3.714 2.972 4.539 420 HG13 ILE 61 2HG1 ILE 61 -2.671 4.389 4.546 421 HG21 ILE 61 1HG2 ILE 61 -2.177 5.036 7.666 422 HG22 ILE 61 2HG2 ILE 61 -1.025 3.709 7.536 423 HG23 ILE 61 3HG2 ILE 61 -1.249 4.817 6.183 424 HD11 ILE 61 1HD1 ILE 61 -0.764 2.717 4.949 425 HD12 ILE 61 2HD1 ILE 61 -1.921 1.501 4.408 426 HD13 ILE 61 3HD1 ILE 61 -1.468 2.827 3.336 427 H LEU 62 H LEU 62 -0.864 0.906 8.378 428 HA LEU 62 HA LEU 62 -2.042 1.419 10.969 429 HB2 LEU 62 1HB LEU 62 0.658 0.236 10.362 430 HB3 LEU 62 2HB LEU 62 -0.257 0.105 11.863 431 HG LEU 62 HG LEU 62 -1.083 -1.127 9.236 432 HD11 LEU 62 1HD1 LEU 62 -0.226 -2.780 11.534 433 HD12 LEU 62 2HD1 LEU 62 1.039 -1.953 10.624 434 HD13 LEU 62 3HD1 LEU 62 -0.056 -3.064 9.801 435 HD21 LEU 62 1HD2 LEU 62 -2.415 -0.721 11.774 436 HD22 LEU 62 2HD2 LEU 62 -2.305 -2.432 11.357 437 HD23 LEU 62 3HD2 LEU 62 -3.063 -1.298 10.238 438 H VAL 63 H VAL 63 0.730 2.525 9.087 439 HA VAL 63 HA VAL 63 1.205 4.601 11.127 440 HB VAL 63 HB VAL 63 3.166 3.351 9.200 441 HG11 VAL 63 1HG1 VAL 63 4.540 4.966 11.012 442 HG12 VAL 63 2HG1 VAL 63 4.300 5.263 9.289 443 HG13 VAL 63 3HG1 VAL 63 3.176 5.942 10.466 444 HG21 VAL 63 1HG2 VAL 63 4.334 2.865 11.437 445 HG22 VAL 63 2HG2 VAL 63 2.764 3.196 12.169 446 HG23 VAL 63 3HG2 VAL 63 2.933 1.885 11.002 447 H ALA 64 H ALA 64 0.302 6.442 10.474 448 HA ALA 64 HA ALA 64 -0.343 7.102 7.823 449 HB1 ALA 64 1HB ALA 64 -0.276 8.553 10.407 450 HB2 ALA 64 2HB ALA 64 -0.336 9.518 8.932 451 HB3 ALA 64 3HB ALA 64 -1.600 8.333 9.262 452 H LEU 65 H LEU 65 0.827 7.888 6.197 453 HA LEU 65 HA LEU 65 3.571 8.059 6.173 454 HB2 LEU 65 1HB LEU 65 1.442 9.268 4.463 455 HB3 LEU 65 2HB LEU 65 3.130 9.695 4.187 456 HG LEU 65 HG LEU 65 2.267 6.825 4.232 457 HD11 LEU 65 1HD1 LEU 65 2.395 8.371 1.680 458 HD12 LEU 65 2HD1 LEU 65 0.903 8.339 2.618 459 HD13 LEU 65 3HD1 LEU 65 1.603 6.833 2.024 460 HD21 LEU 65 1HD2 LEU 65 4.488 8.294 2.815 461 HD22 LEU 65 2HD2 LEU 65 4.208 6.553 2.792 462 HD23 LEU 65 3HD2 LEU 65 4.659 7.354 4.298 463 HA PRO 66 HA PRO 66 4.762 11.817 8.104 464 HB2 PRO 66 1HB PRO 66 6.896 12.546 6.592 465 HB3 PRO 66 2HB PRO 66 6.939 11.189 7.723 466 HG2 PRO 66 1HG PRO 66 6.552 11.168 4.755 467 HG3 PRO 66 2HG PRO 66 7.548 10.100 5.761 468 HD2 PRO 66 1HD PRO 66 5.110 9.372 4.833 469 HD3 PRO 66 2HD PRO 66 5.747 8.806 6.390 470 H HIS 67 H HIS 67 3.360 11.759 5.090 471 HA HIS 67 HA HIS 67 3.410 14.698 4.877 472 HB2 HIS 67 1HB HIS 67 3.413 12.549 2.802 473 HB3 HIS 67 2HB HIS 67 2.602 14.068 2.435 474 HD1 HIS 67 1HD HIS 67 6.019 12.790 3.466 475 HD2 HIS 67 2HD HIS 67 4.262 16.074 1.624 476 HE1 HIS 67 1HE HIS 67 7.930 14.200 2.640 477 HE2 HIS 67 2HE HIS 67 6.844 16.223 1.605 478 H SER 68 H SER 68 1.563 15.688 5.319 479 HA SER 68 HA SER 68 -0.974 14.382 4.688 480 HB2 SER 68 1HB SER 68 -0.501 13.806 7.042 481 HB3 SER 68 2HB SER 68 -0.348 15.520 7.424 482 HG SER 68 HG SER 68 -2.497 15.801 7.042 483 H GLY 69 H GLY 69 -2.746 15.824 4.483 484 HA2 GLY 69 1HA GLY 69 -1.891 18.565 3.882 485 HA3 GLY 69 2HA GLY 69 -3.349 17.786 3.287 486 HA PRO 70 HA PRO 70 -3.904 20.205 7.444 487 HB2 PRO 70 1HB PRO 70 -4.066 22.790 6.630 488 HB3 PRO 70 2HB PRO 70 -2.555 22.044 7.165 489 HG2 PRO 70 1HG PRO 70 -3.554 22.516 4.382 490 HG3 PRO 70 2HG PRO 70 -1.926 22.758 5.043 491 HD2 PRO 70 1HD PRO 70 -2.595 20.581 3.579 492 HD3 PRO 70 2HD PRO 70 -1.392 20.521 4.883 493 H SER 71 H SER 71 -5.946 19.261 7.382 494 HA SER 71 HA SER 71 -7.957 20.175 5.535 495 HB2 SER 71 1HB SER 71 -8.046 17.868 6.225 496 HB3 SER 71 2HB SER 71 -8.084 18.327 7.927 497 HG SER 71 HG SER 71 -10.115 19.392 7.427 498 H SER 72 H SER 72 -8.162 22.385 5.943 499 HA SER 72 HA SER 72 -8.663 23.438 8.541 500 HB2 SER 72 1HB SER 72 -9.174 24.649 5.814 501 HB3 SER 72 2HB SER 72 -9.226 25.527 7.342 502 HG SER 72 HG SER 72 -7.024 24.459 5.971 503 H GLY 73 H GLY 73 -10.381 22.253 9.415 504 HA2 GLY 73 1HA GLY 73 -12.893 21.990 8.078 505 HA3 GLY 73 2HA GLY 73 -12.573 21.636 9.770 Start of MODEL 16 1 H1 GLY 1 H GLY 1 6.865 -12.305 15.186 2 HA2 GLY 1 1HA GLY 1 3.954 -12.208 14.676 3 HA3 GLY 1 2HA GLY 1 4.860 -10.837 15.299 4 H SER 2 H SER 2 3.973 -9.660 13.483 5 HA SER 2 HA SER 2 4.716 -10.398 10.811 6 HB2 SER 2 1HB SER 2 2.656 -9.134 11.237 7 HB3 SER 2 2HB SER 2 3.601 -7.795 11.888 8 HG SER 2 HG SER 2 4.206 -8.712 9.319 9 H SER 3 H SER 3 6.843 -10.404 10.376 10 HA SER 3 HA SER 3 8.618 -8.398 11.452 11 HB2 SER 3 1HB SER 3 9.220 -10.518 9.378 12 HB3 SER 3 2HB SER 3 10.387 -9.626 10.355 13 HG SER 3 HG SER 3 8.865 -10.669 12.118 14 H GLY 4 H GLY 4 9.792 -6.868 10.259 15 HA2 GLY 4 1HA GLY 4 10.351 -5.936 8.053 16 HA3 GLY 4 2HA GLY 4 8.698 -6.292 7.575 17 H SER 5 H SER 5 10.485 -4.452 10.048 18 HA SER 5 HA SER 5 8.359 -2.425 9.963 19 HB2 SER 5 1HB SER 5 10.450 -3.067 12.045 20 HB3 SER 5 2HB SER 5 9.468 -1.603 12.099 21 HG SER 5 HG SER 5 8.818 -3.909 13.069 22 H SER 6 H SER 6 8.768 -0.809 8.614 23 HA SER 6 HA SER 6 11.199 0.705 8.842 24 HB2 SER 6 1HB SER 6 10.727 -1.100 6.515 25 HB3 SER 6 2HB SER 6 11.433 0.485 6.199 26 HG SER 6 HG SER 6 13.210 -0.550 6.697 27 H GLY 7 H GLY 7 10.341 2.671 9.012 28 HA2 GLY 7 1HA GLY 7 9.018 4.509 8.620 29 HA3 GLY 7 2HA GLY 7 9.203 4.074 6.927 30 HA PRO 8 HA PRO 8 4.696 3.902 7.864 31 HB2 PRO 8 1HB PRO 8 3.942 5.000 5.498 32 HB3 PRO 8 2HB PRO 8 4.392 5.969 6.907 33 HG2 PRO 8 1HG PRO 8 6.027 5.243 4.506 34 HG3 PRO 8 2HG PRO 8 5.900 6.801 5.344 35 HD2 PRO 8 1HD PRO 8 7.978 5.107 5.725 36 HD3 PRO 8 2HD PRO 8 7.362 6.167 7.009 37 H CYS 9 H CYS 9 3.752 1.995 7.546 38 HA CYS 9 HA CYS 9 3.832 0.780 4.886 39 HB2 CYS 9 1HB CYS 9 4.397 -1.410 5.767 40 HB3 CYS 9 2HB CYS 9 5.649 -0.258 6.215 41 HG CYS 9 HG CYS 9 5.644 -1.043 8.653 42 H CYS 10 H CYS 10 2.222 -0.975 4.649 43 HA CYS 10 HA CYS 10 -0.026 -0.728 6.525 44 HB2 CYS 10 1HB CYS 10 -1.537 -0.842 4.464 45 HB3 CYS 10 2HB CYS 10 -0.718 0.685 4.766 46 HG CYS 10 HG CYS 10 1.024 0.563 2.729 47 H ARG 11 H ARG 11 -1.449 -2.530 6.588 48 HA ARG 11 HA ARG 11 -0.133 -5.021 5.806 49 HB2 ARG 11 1HB ARG 11 -0.823 -4.725 8.163 50 HB3 ARG 11 2HB ARG 11 -2.495 -4.574 7.639 51 HG2 ARG 11 1HG ARG 11 -2.556 -6.834 6.905 52 HG3 ARG 11 2HG ARG 11 -0.813 -7.010 7.116 53 HD2 ARG 11 1HD ARG 11 -0.968 -7.092 9.420 54 HD3 ARG 11 2HD ARG 11 -2.517 -6.252 9.448 55 HE ARG 11 HE ARG 11 -2.099 -9.065 9.261 56 HH11 ARG 11 2HH1 ARG 11 -4.224 -6.481 8.301 57 HH12 ARG 11 1HH1 ARG 11 -5.615 -7.504 8.154 58 HH21 ARG 11 2HH2 ARG 11 -3.922 -10.422 9.072 59 HH22 ARG 11 1HH2 ARG 11 -5.442 -9.745 8.594 60 H ALA 12 H ALA 12 -1.451 -6.796 4.960 61 HA ALA 12 HA ALA 12 -3.437 -5.786 3.049 62 HB1 ALA 12 1HB ALA 12 -1.312 -7.104 2.369 63 HB2 ALA 12 2HB ALA 12 -2.227 -8.516 2.897 64 HB3 ALA 12 3HB ALA 12 -2.852 -7.494 1.603 65 H LEU 13 H LEU 13 -5.504 -6.110 3.508 66 HA LEU 13 HA LEU 13 -6.273 -8.088 5.490 67 HB2 LEU 13 1HB LEU 13 -7.963 -6.108 3.970 68 HB3 LEU 13 2HB LEU 13 -8.485 -7.082 5.343 69 HG LEU 13 HG LEU 13 -6.188 -5.223 5.716 70 HD11 LEU 13 1HD1 LEU 13 -7.366 -3.455 5.053 71 HD12 LEU 13 2HD1 LEU 13 -8.390 -3.738 6.461 72 HD13 LEU 13 3HD1 LEU 13 -8.847 -4.399 4.891 73 HD21 LEU 13 1HD2 LEU 13 -8.458 -5.592 7.602 74 HD22 LEU 13 2HD2 LEU 13 -6.742 -5.347 7.929 75 HD23 LEU 13 3HD2 LEU 13 -7.320 -6.923 7.385 76 H TYR 14 H TYR 14 -6.185 -7.753 2.079 77 HA TYR 14 HA TYR 14 -7.401 -10.383 1.783 78 HB2 TYR 14 1HB TYR 14 -8.402 -7.915 0.356 79 HB3 TYR 14 2HB TYR 14 -8.782 -9.556 -0.155 80 HD1 TYR 14 1HD TYR 14 -9.348 -6.998 2.412 81 HD2 TYR 14 2HD TYR 14 -10.329 -10.926 1.104 82 HE1 TYR 14 1HE TYR 14 -11.251 -7.035 3.970 83 HE2 TYR 14 2HE TYR 14 -12.235 -10.973 2.658 84 HH TYR 14 HH TYR 14 -12.671 -8.610 5.104 85 H ASP 15 H ASP 15 -7.354 -10.882 -0.757 86 HA ASP 15 HA ASP 15 -4.585 -10.340 -1.573 87 HB2 ASP 15 1HB ASP 15 -4.943 -12.340 -3.083 88 HB3 ASP 15 2HB ASP 15 -4.971 -12.680 -1.355 89 H PHE 16 H PHE 16 -4.537 -8.590 -2.851 90 HA PHE 16 HA PHE 16 -6.618 -8.238 -4.879 91 HB2 PHE 16 1HB PHE 16 -6.237 -6.265 -3.581 92 HB3 PHE 16 2HB PHE 16 -4.494 -6.383 -3.800 93 HD1 PHE 16 2HD PHE 16 -7.645 -5.943 -5.730 94 HD2 PHE 16 1HD PHE 16 -3.467 -5.171 -5.475 95 HE1 PHE 16 2HE PHE 16 -7.798 -4.479 -7.701 96 HE2 PHE 16 1HE PHE 16 -3.614 -3.704 -7.445 97 HZ PHE 16 HZ PHE 16 -5.782 -3.358 -8.562 98 H GLU 17 H GLU 17 -6.255 -8.483 -7.003 99 HA GLU 17 HA GLU 17 -3.498 -9.095 -7.843 100 HB2 GLU 17 1HB GLU 17 -6.110 -10.069 -9.013 101 HB3 GLU 17 2HB GLU 17 -4.516 -10.439 -9.655 102 HG2 GLU 17 1HG GLU 17 -5.024 -12.324 -8.433 103 HG3 GLU 17 2HG GLU 17 -4.037 -11.391 -7.310 104 HA PRO 18 HA PRO 18 -3.704 -5.480 -10.377 105 HB2 PRO 18 1HB PRO 18 -1.547 -6.013 -11.935 106 HB3 PRO 18 2HB PRO 18 -1.410 -5.467 -10.260 107 HG2 PRO 18 1HG PRO 18 -1.207 -8.239 -11.371 108 HG3 PRO 18 2HG PRO 18 -0.204 -7.451 -10.139 109 HD2 PRO 18 1HD PRO 18 -2.185 -9.187 -9.512 110 HD3 PRO 18 2HD PRO 18 -1.745 -7.822 -8.466 111 H GLU 19 H GLU 19 -5.265 -5.305 -11.861 112 HA GLU 19 HA GLU 19 -5.610 -7.357 -13.893 113 HB2 GLU 19 1HB GLU 19 -7.228 -4.862 -13.346 114 HB3 GLU 19 2HB GLU 19 -7.662 -6.140 -14.472 115 HG2 GLU 19 1HG GLU 19 -7.169 -6.860 -11.632 116 HG3 GLU 19 2HG GLU 19 -8.672 -6.040 -12.051 117 H ASN 20 H ASN 20 -4.591 -4.016 -13.609 118 HA ASN 20 HA ASN 20 -3.857 -4.064 -16.462 119 HB2 ASN 20 1HB ASN 20 -4.158 -1.507 -16.310 120 HB3 ASN 20 2HB ASN 20 -5.609 -2.501 -16.405 121 HD21 ASN 20 1HD2 ASN 20 -6.643 -3.046 -14.333 122 HD22 ASN 20 2HD2 ASN 20 -6.629 -1.860 -13.077 123 H GLU 21 H GLU 21 -2.113 -2.415 -16.963 124 HA GLU 21 HA GLU 21 0.187 -2.988 -15.494 125 HB2 GLU 21 1HB GLU 21 -0.452 -0.840 -17.501 126 HB3 GLU 21 2HB GLU 21 1.135 -0.957 -16.756 127 HG2 GLU 21 1HG GLU 21 1.501 -2.168 -18.641 128 HG3 GLU 21 2HG GLU 21 0.963 -3.454 -17.563 129 H GLY 22 H GLY 22 1.660 -1.107 -14.663 130 HA2 GLY 22 1HA GLY 22 2.054 0.276 -12.869 131 HA3 GLY 22 2HA GLY 22 0.709 1.206 -13.513 132 H GLU 23 H GLU 23 0.913 -1.986 -11.944 133 HA GLU 23 HA GLU 23 -0.675 -0.976 -9.714 134 HB2 GLU 23 1HB GLU 23 -1.598 -2.963 -11.729 135 HB3 GLU 23 2HB GLU 23 -2.016 -3.256 -10.047 136 HG2 GLU 23 1HG GLU 23 -2.941 -0.905 -10.004 137 HG3 GLU 23 2HG GLU 23 -2.761 -0.905 -11.758 138 H LEU 24 H LEU 24 0.042 -1.759 -7.842 139 HA LEU 24 HA LEU 24 1.924 -4.005 -7.910 140 HB2 LEU 24 1HB LEU 24 2.716 -1.922 -6.914 141 HB3 LEU 24 2HB LEU 24 1.382 -1.958 -5.762 142 HG LEU 24 HG LEU 24 2.462 -4.269 -5.096 143 HD11 LEU 24 1HD1 LEU 24 5.074 -3.133 -5.440 144 HD12 LEU 24 2HD1 LEU 24 4.295 -3.358 -7.006 145 HD13 LEU 24 3HD1 LEU 24 4.474 -4.725 -5.906 146 HD21 LEU 24 1HD2 LEU 24 3.746 -3.103 -3.374 147 HD22 LEU 24 2HD2 LEU 24 2.165 -2.357 -3.611 148 HD23 LEU 24 3HD2 LEU 24 3.609 -1.599 -4.285 149 H GLY 25 H GLY 25 0.927 -5.905 -7.639 150 HA2 GLY 25 1HA GLY 25 -1.470 -6.165 -6.063 151 HA3 GLY 25 2HA GLY 25 -0.605 -7.463 -6.873 152 H PHE 26 H PHE 26 -1.738 -7.066 -4.079 153 HA PHE 26 HA PHE 26 0.705 -7.858 -2.636 154 HB2 PHE 26 1HB PHE 26 -0.433 -6.924 -0.574 155 HB3 PHE 26 2HB PHE 26 0.101 -5.730 -1.753 156 HD1 PHE 26 1HD PHE 26 -2.938 -7.819 -1.153 157 HD2 PHE 26 2HD PHE 26 -1.338 -3.989 -2.097 158 HE1 PHE 26 1HE PHE 26 -5.215 -6.892 -1.237 159 HE2 PHE 26 2HE PHE 26 -3.613 -3.056 -2.181 160 HZ PHE 26 HZ PHE 26 -5.555 -4.507 -1.750 161 H LYS 27 H LYS 27 0.046 -9.046 -0.515 162 HA LYS 27 HA LYS 27 -2.209 -10.856 -1.048 163 HB2 LYS 27 1HB LYS 27 0.252 -11.703 -1.545 164 HB3 LYS 27 2HB LYS 27 0.273 -11.952 0.196 165 HG2 LYS 27 1HG LYS 27 -1.384 -13.569 0.115 166 HG3 LYS 27 2HG LYS 27 -1.969 -13.032 -1.461 167 HD2 LYS 27 1HD LYS 27 -0.819 -15.057 -1.857 168 HD3 LYS 27 2HD LYS 27 0.272 -13.775 -2.388 169 HE2 LYS 27 1HE LYS 27 1.571 -15.339 -1.154 170 HE3 LYS 27 2HE LYS 27 1.373 -13.911 -0.139 171 HZ1 LYS 27 1HZ LYS 27 -0.674 -15.903 0.231 172 HZ2 LYS 27 2HZ LYS 27 0.239 -15.064 1.381 173 HZ3 LYS 27 3HZ LYS 27 0.876 -16.444 0.639 174 H GLU 28 H GLU 28 -3.295 -11.632 0.748 175 HA GLU 28 HA GLU 28 -3.619 -10.056 2.941 176 HB2 GLU 28 1HB GLU 28 -5.071 -11.979 2.304 177 HB3 GLU 28 2HB GLU 28 -3.862 -13.069 2.968 178 HG2 GLU 28 1HG GLU 28 -4.161 -12.025 5.173 179 HG3 GLU 28 2HG GLU 28 -5.418 -10.992 4.493 180 H GLY 29 H GLY 29 -2.459 -9.530 4.673 181 HA2 GLY 29 1HA GLY 29 -1.101 -9.977 6.553 182 HA3 GLY 29 2HA GLY 29 -0.533 -11.442 5.764 183 H ASP 30 H ASP 30 0.221 -10.333 3.289 184 HA ASP 30 HA ASP 30 2.840 -9.535 3.816 185 HB2 ASP 30 1HB ASP 30 1.288 -8.927 1.294 186 HB3 ASP 30 2HB ASP 30 3.035 -9.084 1.456 187 H ILE 31 H ILE 31 3.753 -7.653 4.328 188 HA ILE 31 HA ILE 31 2.071 -5.307 4.608 189 HB ILE 31 HB ILE 31 5.008 -5.538 5.251 190 HG12 ILE 31 1HG1 ILE 31 3.812 -7.288 6.453 191 HG13 ILE 31 2HG1 ILE 31 4.291 -6.015 7.571 192 HG21 ILE 31 1HG2 ILE 31 3.516 -3.311 5.120 193 HG22 ILE 31 2HG2 ILE 31 3.187 -3.793 6.783 194 HG23 ILE 31 3HG2 ILE 31 4.848 -3.520 6.256 195 HD11 ILE 31 1HD1 ILE 31 1.751 -5.287 6.716 196 HD12 ILE 31 2HD1 ILE 31 1.673 -7.033 6.956 197 HD13 ILE 31 3HD1 ILE 31 2.195 -5.984 8.274 198 H ILE 32 H ILE 32 1.964 -3.694 3.195 199 HA ILE 32 HA ILE 32 3.880 -3.640 0.979 200 HB ILE 32 HB ILE 32 1.262 -2.156 1.235 201 HG12 ILE 32 1HG1 ILE 32 0.698 -3.936 -0.632 202 HG13 ILE 32 2HG1 ILE 32 1.962 -4.863 0.171 203 HG21 ILE 32 1HG2 ILE 32 2.747 -2.718 -1.305 204 HG22 ILE 32 2HG2 ILE 32 1.516 -1.499 -0.982 205 HG23 ILE 32 3HG2 ILE 32 3.138 -1.311 -0.316 206 HD11 ILE 32 1HD1 ILE 32 0.749 -4.831 2.235 207 HD12 ILE 32 2HD1 ILE 32 -0.461 -3.743 1.554 208 HD13 ILE 32 3HD1 ILE 32 -0.321 -5.393 0.950 209 H THR 33 H THR 33 5.528 -2.285 1.137 210 HA THR 33 HA THR 33 5.811 -0.289 3.071 211 HB THR 33 HB THR 33 7.234 -0.458 0.407 212 HG1 THR 33 1HG THR 33 8.112 -1.451 2.923 213 HG21 THR 33 1HG2 THR 33 7.896 0.976 2.977 214 HG22 THR 33 2HG2 THR 33 7.616 1.690 1.389 215 HG23 THR 33 3HG2 THR 33 9.055 0.712 1.675 216 H LEU 34 H LEU 34 6.128 2.053 2.661 217 HA LEU 34 HA LEU 34 4.315 3.083 0.585 218 HB2 LEU 34 1HB LEU 34 4.501 4.007 3.448 219 HB3 LEU 34 2HB LEU 34 3.567 4.808 2.187 220 HG LEU 34 HG LEU 34 3.058 1.995 3.151 221 HD11 LEU 34 1HD1 LEU 34 2.383 4.537 4.332 222 HD12 LEU 34 2HD1 LEU 34 2.123 2.905 4.947 223 HD13 LEU 34 3HD1 LEU 34 0.934 3.643 3.873 224 HD21 LEU 34 1HD2 LEU 34 2.231 2.243 0.951 225 HD22 LEU 34 2HD2 LEU 34 1.609 3.859 1.286 226 HD23 LEU 34 3HD2 LEU 34 0.844 2.450 2.021 227 H THR 35 H THR 35 5.166 4.632 -0.643 228 HA THR 35 HA THR 35 7.504 6.107 0.376 229 HB THR 35 HB THR 35 8.532 6.054 -1.814 230 HG1 THR 35 1HG THR 35 6.966 5.925 -3.305 231 HG21 THR 35 1HG2 THR 35 8.540 3.388 -2.056 232 HG22 THR 35 2HG2 THR 35 7.808 3.522 -0.457 233 HG23 THR 35 3HG2 THR 35 9.393 4.230 -0.763 234 H ASN 36 H ASN 36 4.869 6.085 -2.005 235 HA ASN 36 HA ASN 36 4.385 8.894 -1.514 236 HB2 ASN 36 1HB ASN 36 5.598 7.886 -4.041 237 HB3 ASN 36 2HB ASN 36 4.363 9.134 -4.172 238 HD21 ASN 36 1HD2 ASN 36 7.256 9.187 -4.721 239 HD22 ASN 36 2HD2 ASN 36 7.882 10.487 -3.771 240 H GLN 37 H GLN 37 2.469 9.660 -2.856 241 HA GLN 37 HA GLN 37 0.613 7.435 -3.370 242 HB2 GLN 37 1HB GLN 37 -0.043 8.295 -1.249 243 HB3 GLN 37 2HB GLN 37 0.117 9.958 -1.797 244 HG2 GLN 37 1HG GLN 37 -1.840 9.853 -3.065 245 HG3 GLN 37 2HG GLN 37 -1.872 8.091 -3.032 246 HE21 GLN 37 1HE2 GLN 37 -3.843 7.798 -2.139 247 HE22 GLN 37 2HE2 GLN 37 -4.274 8.313 -0.547 248 H ILE 38 H ILE 38 -0.367 7.517 -5.284 249 HA ILE 38 HA ILE 38 -0.033 9.922 -6.913 250 HB ILE 38 HB ILE 38 -0.817 7.101 -7.634 251 HG12 ILE 38 1HG1 ILE 38 1.316 7.635 -9.148 252 HG13 ILE 38 2HG1 ILE 38 1.648 8.762 -7.838 253 HG21 ILE 38 1HG2 ILE 38 -2.094 8.358 -9.123 254 HG22 ILE 38 2HG2 ILE 38 -0.862 9.611 -9.270 255 HG23 ILE 38 3HG2 ILE 38 -0.610 8.035 -10.020 256 HD11 ILE 38 1HD1 ILE 38 2.624 6.372 -7.755 257 HD12 ILE 38 2HD1 ILE 38 1.937 7.078 -6.293 258 HD13 ILE 38 3HD1 ILE 38 1.004 5.913 -7.232 259 H ASP 39 H ASP 39 -2.569 7.681 -5.851 260 HA ASP 39 HA ASP 39 -4.593 9.610 -6.757 261 HB2 ASP 39 1HB ASP 39 -5.149 6.796 -5.838 262 HB3 ASP 39 2HB ASP 39 -6.155 7.839 -6.838 263 H GLU 40 H GLU 40 -6.700 9.227 -5.248 264 HA GLU 40 HA GLU 40 -5.843 10.174 -2.635 265 HB2 GLU 40 1HB GLU 40 -8.377 10.261 -4.203 266 HB3 GLU 40 2HB GLU 40 -8.485 10.366 -2.451 267 HG2 GLU 40 1HG GLU 40 -6.669 12.154 -4.026 268 HG3 GLU 40 2HG GLU 40 -8.370 12.541 -3.774 269 H ASN 41 H ASN 41 -6.811 7.273 -4.057 270 HA ASN 41 HA ASN 41 -7.338 6.115 -1.403 271 HB2 ASN 41 1HB ASN 41 -8.911 5.865 -3.917 272 HB3 ASN 41 2HB ASN 41 -8.744 4.421 -2.922 273 HD21 ASN 41 1HD2 ASN 41 -10.082 7.601 -3.161 274 HD22 ASN 41 2HD2 ASN 41 -11.110 7.499 -1.776 275 H TRP 42 H TRP 42 -5.067 6.313 -3.552 276 HA TRP 42 HA TRP 42 -4.336 3.466 -3.372 277 HB2 TRP 42 1HB TRP 42 -3.790 5.337 -5.688 278 HB3 TRP 42 2HB TRP 42 -3.178 3.691 -5.547 279 HD1 TRP 42 HD TRP 42 -6.639 5.458 -5.635 280 HE1 TRP 42 1HE TRP 42 -8.274 3.920 -6.894 281 HE3 TRP 42 3HE TRP 42 -3.530 1.489 -6.485 282 HZ2 TRP 42 2HZ TRP 42 -8.250 1.363 -8.089 283 HZ3 TRP 42 3HZ TRP 42 -4.415 -0.464 -7.693 284 HH2 TRP 42 HH TRP 42 -6.726 -0.524 -8.477 285 H TYR 43 H TYR 43 -1.960 3.104 -3.530 286 HA TYR 43 HA TYR 43 -0.395 5.381 -2.532 287 HB2 TYR 43 1HB TYR 43 -0.756 2.694 -1.253 288 HB3 TYR 43 2HB TYR 43 0.760 3.564 -1.042 289 HD1 TYR 43 2HD TYR 43 -0.126 6.341 -0.800 290 HD2 TYR 43 1HD TYR 43 -1.844 2.791 0.797 291 HE1 TYR 43 2HE TYR 43 -1.128 7.652 1.023 292 HE2 TYR 43 1HE TYR 43 -2.852 4.093 2.624 293 HH TYR 43 HH TYR 43 -2.065 6.613 3.739 294 H GLU 44 H GLU 44 2.027 4.685 -2.430 295 HA GLU 44 HA GLU 44 2.686 2.968 -4.719 296 HB2 GLU 44 1HB GLU 44 2.660 5.460 -5.294 297 HB3 GLU 44 2HB GLU 44 4.067 5.603 -4.250 298 HG2 GLU 44 1HG GLU 44 5.231 3.939 -5.657 299 HG3 GLU 44 2HG GLU 44 3.839 3.925 -6.737 300 H GLY 45 H GLY 45 3.819 1.358 -3.842 301 HA2 GLY 45 1HA GLY 45 6.134 2.059 -2.175 302 HA3 GLY 45 2HA GLY 45 4.987 0.873 -1.569 303 H MET 46 H MET 46 7.223 -0.255 -1.591 304 HA MET 46 HA MET 46 7.644 -1.531 -4.209 305 HB2 MET 46 1HB MET 46 9.461 -0.846 -1.955 306 HB3 MET 46 2HB MET 46 9.815 -2.307 -2.867 307 HG2 MET 46 1HG MET 46 9.845 -0.979 -4.937 308 HG3 MET 46 2HG MET 46 9.565 0.476 -3.982 309 HE1 MET 46 1HE MET 46 12.109 0.311 -1.447 310 HE2 MET 46 2HE MET 46 12.522 1.608 -2.569 311 HE3 MET 46 3HE MET 46 10.830 1.248 -2.221 312 H LEU 47 H LEU 47 7.644 -3.749 -4.398 313 HA LEU 47 HA LEU 47 7.309 -5.413 -2.049 314 HB2 LEU 47 1HB LEU 47 5.029 -4.517 -2.763 315 HB3 LEU 47 2HB LEU 47 5.210 -5.528 -4.195 316 HG LEU 47 HG LEU 47 5.449 -7.493 -2.618 317 HD11 LEU 47 1HD1 LEU 47 5.073 -7.311 -0.382 318 HD12 LEU 47 2HD1 LEU 47 4.053 -5.883 -0.553 319 HD13 LEU 47 3HD1 LEU 47 5.807 -5.733 -0.670 320 HD21 LEU 47 1HD2 LEU 47 2.953 -5.893 -2.995 321 HD22 LEU 47 2HD2 LEU 47 2.914 -7.374 -2.037 322 HD23 LEU 47 3HD2 LEU 47 3.425 -7.428 -3.725 323 H HIS 48 H HIS 48 8.881 -6.835 -2.449 324 HA HIS 48 HA HIS 48 10.095 -8.481 -3.445 325 HB2 HIS 48 1HB HIS 48 7.438 -8.700 -4.766 326 HB3 HIS 48 2HB HIS 48 8.782 -9.566 -5.506 327 HD1 HIS 48 1HD HIS 48 10.079 -11.250 -3.794 328 HD2 HIS 48 2HD HIS 48 6.262 -10.021 -2.707 329 HE1 HIS 48 1HE HIS 48 9.313 -12.895 -2.053 330 HE2 HIS 48 2HE HIS 48 6.968 -12.181 -1.473 331 H GLY 49 H GLY 49 10.572 -5.816 -4.253 332 HA2 GLY 49 1HA GLY 49 11.980 -4.802 -5.779 333 HA3 GLY 49 2HA GLY 49 12.027 -6.313 -6.675 334 H HIS 50 H HIS 50 8.913 -5.066 -5.967 335 HA HIS 50 HA HIS 50 8.696 -4.040 -8.722 336 HB2 HIS 50 1HB HIS 50 6.633 -5.553 -7.109 337 HB3 HIS 50 2HB HIS 50 6.333 -4.820 -8.682 338 HD1 HIS 50 1HD HIS 50 7.701 -5.875 -10.721 339 HD2 HIS 50 2HD HIS 50 7.742 -8.056 -7.185 340 HE1 HIS 50 1HE HIS 50 8.473 -8.181 -11.362 341 HE2 HIS 50 2HE HIS 50 8.408 -9.505 -9.221 342 H SER 51 H SER 51 7.606 -2.145 -9.051 343 HA SER 51 HA SER 51 6.584 -0.776 -6.650 344 HB2 SER 51 1HB SER 51 7.469 1.327 -7.510 345 HB3 SER 51 2HB SER 51 8.771 0.145 -7.376 346 HG SER 51 HG SER 51 7.746 1.381 -9.593 347 H GLY 52 H GLY 52 4.447 -0.626 -6.839 348 HA2 GLY 52 1HA GLY 52 3.335 0.548 -9.268 349 HA3 GLY 52 2HA GLY 52 2.749 -1.050 -8.830 350 H PHE 53 H PHE 53 0.793 0.602 -8.962 351 HA PHE 53 HA PHE 53 0.378 1.872 -6.358 352 HB2 PHE 53 1HB PHE 53 -1.659 2.010 -8.534 353 HB3 PHE 53 2HB PHE 53 -1.198 3.230 -7.351 354 HD1 PHE 53 2HD PHE 53 1.630 3.550 -7.697 355 HD2 PHE 53 1HD PHE 53 -1.374 2.884 -10.638 356 HE1 PHE 53 2HE PHE 53 3.041 4.654 -9.384 357 HE2 PHE 53 1HE PHE 53 0.032 3.985 -12.330 358 HZ PHE 53 HZ PHE 53 2.243 4.873 -11.704 359 H PHE 54 H PHE 54 -0.899 1.023 -4.844 360 HA PHE 54 HA PHE 54 -2.668 -1.206 -5.610 361 HB2 PHE 54 1HB PHE 54 -2.201 -2.258 -3.463 362 HB3 PHE 54 2HB PHE 54 -0.696 -1.979 -4.334 363 HD1 PHE 54 1HD PHE 54 0.610 0.159 -3.733 364 HD2 PHE 54 2HD PHE 54 -2.432 -1.529 -1.281 365 HE1 PHE 54 1HE PHE 54 1.513 1.366 -1.788 366 HE2 PHE 54 2HE PHE 54 -1.535 -0.325 0.667 367 HZ PHE 54 HZ PHE 54 0.439 1.126 0.416 368 HA PRO 55 HA PRO 55 -6.011 0.974 -3.780 369 HB2 PRO 55 1HB PRO 55 -7.546 -1.088 -2.906 370 HB3 PRO 55 2HB PRO 55 -7.377 -0.673 -4.616 371 HG2 PRO 55 1HG PRO 55 -5.990 -2.806 -3.038 372 HG3 PRO 55 2HG PRO 55 -6.686 -2.893 -4.667 373 HD2 PRO 55 1HD PRO 55 -4.031 -2.587 -4.231 374 HD3 PRO 55 2HD PRO 55 -4.855 -1.886 -5.639 375 H ILE 56 H ILE 56 -6.576 1.851 -1.851 376 HA ILE 56 HA ILE 56 -5.143 0.917 0.506 377 HB ILE 56 HB ILE 56 -6.849 3.385 0.149 378 HG12 ILE 56 1HG1 ILE 56 -3.834 3.158 0.203 379 HG13 ILE 56 2HG1 ILE 56 -4.780 3.267 -1.278 380 HG21 ILE 56 1HG2 ILE 56 -4.989 3.743 2.206 381 HG22 ILE 56 2HG2 ILE 56 -6.736 3.560 2.359 382 HG23 ILE 56 3HG2 ILE 56 -5.689 2.145 2.468 383 HD11 ILE 56 1HD1 ILE 56 -4.210 5.449 -1.004 384 HD12 ILE 56 2HD1 ILE 56 -5.724 5.425 -0.100 385 HD13 ILE 56 3HD1 ILE 56 -4.185 5.339 0.756 386 H ASN 57 H ASN 57 -8.328 0.909 -0.815 387 HA ASN 57 HA ASN 57 -9.723 0.544 1.659 388 HB2 ASN 57 1HB ASN 57 -10.428 0.414 -1.238 389 HB3 ASN 57 2HB ASN 57 -11.505 -0.371 -0.087 390 HD21 ASN 57 1HD2 ASN 57 -13.206 0.935 0.004 391 HD22 ASN 57 2HD2 ASN 57 -13.152 2.621 0.375 392 H TYR 58 H TYR 58 -7.571 -1.383 0.158 393 HA TYR 58 HA TYR 58 -8.922 -3.854 1.026 394 HB2 TYR 58 1HB TYR 58 -7.083 -3.301 -1.276 395 HB3 TYR 58 2HB TYR 58 -7.147 -4.916 -0.577 396 HD1 TYR 58 2HD TYR 58 -9.851 -5.504 -0.053 397 HD2 TYR 58 1HD TYR 58 -8.264 -3.182 -3.246 398 HE1 TYR 58 2HE TYR 58 -11.840 -6.015 -1.406 399 HE2 TYR 58 1HE TYR 58 -10.250 -3.685 -4.608 400 HH TYR 58 HH TYR 58 -12.909 -5.656 -3.317 401 H VAL 59 H VAL 59 -6.439 -1.712 1.684 402 HA VAL 59 HA VAL 59 -5.019 -3.746 3.276 403 HB VAL 59 HB VAL 59 -2.952 -2.455 3.013 404 HG11 VAL 59 1HG1 VAL 59 -3.677 -4.291 1.406 405 HG12 VAL 59 2HG1 VAL 59 -4.060 -2.995 0.272 406 HG13 VAL 59 3HG1 VAL 59 -2.406 -3.202 0.851 407 HG21 VAL 59 1HG2 VAL 59 -2.966 -0.350 2.309 408 HG22 VAL 59 2HG2 VAL 59 -3.630 -0.851 0.754 409 HG23 VAL 59 3HG2 VAL 59 -4.713 -0.446 2.085 410 H GLU 60 H GLU 60 -4.331 -3.149 5.337 411 HA GLU 60 HA GLU 60 -5.858 -0.987 6.525 412 HB2 GLU 60 1HB GLU 60 -5.503 -3.373 7.487 413 HB3 GLU 60 2HB GLU 60 -3.946 -2.754 8.019 414 HG2 GLU 60 1HG GLU 60 -5.361 -2.489 9.854 415 HG3 GLU 60 2HG GLU 60 -5.241 -0.882 9.140 416 H ILE 61 H ILE 61 -5.047 0.859 7.392 417 HA ILE 61 HA ILE 61 -2.224 1.429 6.825 418 HB ILE 61 HB ILE 61 -4.479 3.353 7.404 419 HG12 ILE 61 1HG1 ILE 61 -4.848 2.351 5.259 420 HG13 ILE 61 2HG1 ILE 61 -4.166 3.949 4.976 421 HG21 ILE 61 1HG2 ILE 61 -2.280 4.582 6.109 422 HG22 ILE 61 2HG2 ILE 61 -2.922 4.898 7.720 423 HG23 ILE 61 3HG2 ILE 61 -1.659 3.688 7.496 424 HD11 ILE 61 1HD1 ILE 61 -2.660 1.347 4.874 425 HD12 ILE 61 2HD1 ILE 61 -3.197 2.296 3.488 426 HD13 ILE 61 3HD1 ILE 61 -1.980 2.948 4.585 427 H LEU 62 H LEU 62 -0.997 0.939 8.541 428 HA LEU 62 HA LEU 62 -1.968 1.422 11.240 429 HB2 LEU 62 1HB LEU 62 0.729 0.373 10.420 430 HB3 LEU 62 2HB LEU 62 -0.057 0.222 11.991 431 HG LEU 62 HG LEU 62 -1.131 -1.079 9.497 432 HD11 LEU 62 1HD1 LEU 62 1.029 -1.942 11.348 433 HD12 LEU 62 2HD1 LEU 62 0.849 -2.208 9.614 434 HD13 LEU 62 3HD1 LEU 62 -0.107 -3.154 10.755 435 HD21 LEU 62 1HD2 LEU 62 -2.607 -0.697 11.512 436 HD22 LEU 62 2HD2 LEU 62 -1.552 -1.807 12.386 437 HD23 LEU 62 3HD2 LEU 62 -2.450 -2.370 10.976 438 H VAL 63 H VAL 63 0.575 2.562 9.065 439 HA VAL 63 HA VAL 63 1.097 4.770 10.949 440 HB VAL 63 HB VAL 63 2.996 3.642 8.887 441 HG11 VAL 63 1HG1 VAL 63 4.442 5.302 9.369 442 HG12 VAL 63 2HG1 VAL 63 2.981 6.164 9.854 443 HG13 VAL 63 3HG1 VAL 63 3.975 5.358 11.069 444 HG21 VAL 63 1HG2 VAL 63 2.796 2.025 10.607 445 HG22 VAL 63 2HG2 VAL 63 4.281 2.918 10.936 446 HG23 VAL 63 3HG2 VAL 63 2.823 3.258 11.867 447 H ALA 64 H ALA 64 0.140 6.569 10.274 448 HA ALA 64 HA ALA 64 -0.606 7.009 7.550 449 HB1 ALA 64 1HB ALA 64 -2.088 7.964 9.050 450 HB2 ALA 64 2HB ALA 64 -0.801 8.614 10.066 451 HB3 ALA 64 3HB ALA 64 -1.148 9.354 8.503 452 H LEU 65 H LEU 65 0.622 7.796 5.979 453 HA LEU 65 HA LEU 65 3.273 8.443 6.133 454 HB2 LEU 65 1HB LEU 65 1.193 9.490 4.223 455 HB3 LEU 65 2HB LEU 65 2.928 9.715 4.005 456 HG LEU 65 HG LEU 65 1.779 6.961 4.258 457 HD11 LEU 65 1HD1 LEU 65 1.719 8.755 1.855 458 HD12 LEU 65 2HD1 LEU 65 0.428 7.759 2.528 459 HD13 LEU 65 3HD1 LEU 65 1.788 6.999 1.702 460 HD21 LEU 65 1HD2 LEU 65 3.919 6.443 3.985 461 HD22 LEU 65 2HD2 LEU 65 4.342 8.138 3.743 462 HD23 LEU 65 3HD2 LEU 65 3.847 7.147 2.370 463 HA PRO 66 HA PRO 66 3.692 12.409 7.968 464 HB2 PRO 66 1HB PRO 66 5.832 13.389 6.617 465 HB3 PRO 66 2HB PRO 66 5.964 12.104 7.823 466 HG2 PRO 66 1HG PRO 66 5.878 11.898 4.838 467 HG3 PRO 66 2HG PRO 66 6.916 11.038 5.989 468 HD2 PRO 66 1HD PRO 66 4.716 9.909 4.887 469 HD3 PRO 66 2HD PRO 66 5.273 9.513 6.525 470 H HIS 67 H HIS 67 1.705 13.312 7.184 471 HA HIS 67 HA HIS 67 2.081 15.161 4.920 472 HB2 HIS 67 1HB HIS 67 0.380 13.165 4.740 473 HB3 HIS 67 2HB HIS 67 -0.642 14.208 5.724 474 HD1 HIS 67 1HD HIS 67 -2.335 14.614 3.846 475 HD2 HIS 67 2HD HIS 67 1.540 15.755 2.874 476 HE1 HIS 67 1HE HIS 67 -2.540 15.955 1.728 477 HE2 HIS 67 2HE HIS 67 -0.174 16.562 1.113 478 H SER 68 H SER 68 0.021 16.813 5.120 479 HA SER 68 HA SER 68 0.529 18.181 7.650 480 HB2 SER 68 1HB SER 68 -0.399 20.155 6.571 481 HB3 SER 68 2HB SER 68 0.801 19.418 5.509 482 HG SER 68 HG SER 68 -1.848 18.607 5.214 483 H GLY 69 H GLY 69 -0.793 17.593 9.253 484 HA2 GLY 69 1HA GLY 69 -3.321 18.304 9.664 485 HA3 GLY 69 2HA GLY 69 -3.558 16.865 8.684 486 HA PRO 70 HA PRO 70 -2.777 15.958 13.327 487 HB2 PRO 70 1HB PRO 70 -5.339 15.768 14.205 488 HB3 PRO 70 2HB PRO 70 -4.412 17.271 14.266 489 HG2 PRO 70 1HG PRO 70 -6.455 16.386 12.265 490 HG3 PRO 70 2HG PRO 70 -6.245 17.976 13.022 491 HD2 PRO 70 1HD PRO 70 -5.373 17.428 10.517 492 HD3 PRO 70 2HD PRO 70 -4.541 18.573 11.589 493 H SER 71 H SER 71 -2.071 13.985 12.361 494 HA SER 71 HA SER 71 -2.223 11.805 11.659 495 HB2 SER 71 1HB SER 71 -3.266 10.364 13.284 496 HB3 SER 71 2HB SER 71 -2.557 11.727 14.148 497 HG SER 71 HG SER 71 -4.487 11.936 14.948 498 H SER 72 H SER 72 -3.786 13.438 10.040 499 HA SER 72 HA SER 72 -5.907 11.559 9.288 500 HB2 SER 72 1HB SER 72 -7.464 13.389 8.826 501 HB3 SER 72 2HB SER 72 -6.977 13.416 10.521 502 HG SER 72 HG SER 72 -5.240 14.927 9.466 503 H GLY 73 H GLY 73 -6.700 11.985 7.029 504 HA2 GLY 73 1HA GLY 73 -5.087 13.533 5.251 505 HA3 GLY 73 2HA GLY 73 -4.661 11.829 5.185 Start of MODEL 17 1 H1 GLY 1 H GLY 1 12.457 -4.813 13.771 2 HA2 GLY 1 1HA GLY 1 9.654 -4.821 14.340 3 HA3 GLY 1 2HA GLY 1 10.893 -3.944 15.225 4 H SER 2 H SER 2 8.445 -2.798 14.816 5 HA SER 2 HA SER 2 8.698 -0.992 12.539 6 HB2 SER 2 1HB SER 2 6.505 -2.153 13.366 7 HB3 SER 2 2HB SER 2 6.476 -0.847 14.551 8 HG SER 2 HG SER 2 5.325 -0.337 12.621 9 H SER 3 H SER 3 10.753 -0.426 14.048 10 HA SER 3 HA SER 3 10.248 2.243 14.948 11 HB2 SER 3 1HB SER 3 10.929 0.106 16.971 12 HB3 SER 3 2HB SER 3 11.215 1.821 17.263 13 HG SER 3 HG SER 3 8.934 0.438 17.495 14 H GLY 4 H GLY 4 11.880 3.235 13.962 15 HA2 GLY 4 1HA GLY 4 14.285 3.753 14.277 16 HA3 GLY 4 2HA GLY 4 14.567 2.021 14.178 17 H SER 5 H SER 5 14.185 0.956 12.137 18 HA SER 5 HA SER 5 15.000 2.633 9.921 19 HB2 SER 5 1HB SER 5 14.515 -0.355 10.002 20 HB3 SER 5 2HB SER 5 15.319 0.536 8.710 21 HG SER 5 HG SER 5 16.961 -0.177 9.934 22 H SER 6 H SER 6 12.426 0.208 10.407 23 HA SER 6 HA SER 6 10.977 1.057 8.098 24 HB2 SER 6 1HB SER 6 10.870 -1.259 8.989 25 HB3 SER 6 2HB SER 6 10.028 -0.649 10.414 26 HG SER 6 HG SER 6 8.352 0.050 9.040 27 H GLY 7 H GLY 7 9.050 2.208 7.969 28 HA2 GLY 7 1HA GLY 7 8.194 3.595 10.426 29 HA3 GLY 7 2HA GLY 7 8.533 4.511 8.965 30 HA PRO 8 HA PRO 8 4.243 4.111 8.036 31 HB2 PRO 8 1HB PRO 8 4.346 4.897 5.440 32 HB3 PRO 8 2HB PRO 8 4.497 6.026 6.792 33 HG2 PRO 8 1HG PRO 8 6.640 4.798 5.099 34 HG3 PRO 8 2HG PRO 8 6.484 6.471 5.667 35 HD2 PRO 8 1HD PRO 8 8.127 4.676 6.855 36 HD3 PRO 8 2HD PRO 8 7.315 5.971 7.758 37 H CYS 9 H CYS 9 3.519 2.056 7.961 38 HA CYS 9 HA CYS 9 3.873 0.590 5.453 39 HB2 CYS 9 1HB CYS 9 4.414 -1.474 6.553 40 HB3 CYS 9 2HB CYS 9 5.542 -0.251 7.125 41 HG CYS 9 HG CYS 9 5.134 -0.743 9.601 42 H CYS 10 H CYS 10 2.257 -1.061 5.100 43 HA CYS 10 HA CYS 10 -0.134 -0.792 6.785 44 HB2 CYS 10 1HB CYS 10 -1.570 -0.593 4.874 45 HB3 CYS 10 2HB CYS 10 -0.313 0.629 4.724 46 HG CYS 10 HG CYS 10 0.190 -0.010 2.297 47 H ARG 11 H ARG 11 -1.585 -2.584 6.715 48 HA ARG 11 HA ARG 11 -0.256 -5.078 5.898 49 HB2 ARG 11 1HB ARG 11 -0.712 -4.838 8.314 50 HB3 ARG 11 2HB ARG 11 -2.426 -4.664 7.961 51 HG2 ARG 11 1HG ARG 11 -2.649 -6.892 7.330 52 HG3 ARG 11 2HG ARG 11 -0.913 -7.094 7.088 53 HD2 ARG 11 1HD ARG 11 -0.492 -7.347 9.325 54 HD3 ARG 11 2HD ARG 11 -1.886 -6.380 9.806 55 HE ARG 11 HE ARG 11 -2.716 -8.787 8.564 56 HH11 ARG 11 2HH1 ARG 11 -1.389 -7.536 11.530 57 HH12 ARG 11 1HH1 ARG 11 -2.058 -8.797 12.513 58 HH21 ARG 11 2HH2 ARG 11 -3.601 -10.452 9.847 59 HH22 ARG 11 1HH2 ARG 11 -3.315 -10.455 11.554 60 H ALA 12 H ALA 12 -1.402 -6.674 4.799 61 HA ALA 12 HA ALA 12 -3.652 -5.674 3.243 62 HB1 ALA 12 1HB ALA 12 -1.681 -6.809 2.183 63 HB2 ALA 12 2HB ALA 12 -2.235 -8.311 2.925 64 HB3 ALA 12 3HB ALA 12 -3.254 -7.480 1.750 65 H LEU 13 H LEU 13 -5.702 -6.416 3.369 66 HA LEU 13 HA LEU 13 -6.315 -8.248 5.562 67 HB2 LEU 13 1HB LEU 13 -7.950 -6.297 3.973 68 HB3 LEU 13 2HB LEU 13 -8.701 -7.499 5.021 69 HG LEU 13 HG LEU 13 -6.685 -5.514 6.043 70 HD11 LEU 13 1HD1 LEU 13 -9.244 -4.738 6.863 71 HD12 LEU 13 2HD1 LEU 13 -9.356 -4.997 5.123 72 HD13 LEU 13 3HD1 LEU 13 -8.157 -3.878 5.772 73 HD21 LEU 13 1HD2 LEU 13 -8.861 -6.545 7.727 74 HD22 LEU 13 2HD2 LEU 13 -7.148 -6.329 8.087 75 HD23 LEU 13 3HD2 LEU 13 -7.690 -7.751 7.194 76 H TYR 14 H TYR 14 -6.457 -7.999 2.096 77 HA TYR 14 HA TYR 14 -7.279 -10.801 1.960 78 HB2 TYR 14 1HB TYR 14 -8.629 -8.557 0.450 79 HB3 TYR 14 2HB TYR 14 -8.840 -10.264 0.076 80 HD1 TYR 14 1HD TYR 14 -9.500 -7.633 2.570 81 HD2 TYR 14 2HD TYR 14 -10.240 -11.663 1.424 82 HE1 TYR 14 1HE TYR 14 -11.314 -7.764 4.226 83 HE2 TYR 14 2HE TYR 14 -12.057 -11.805 3.076 84 HH TYR 14 HH TYR 14 -13.218 -10.738 4.633 85 H ASP 15 H ASP 15 -7.247 -11.417 -0.545 86 HA ASP 15 HA ASP 15 -4.570 -10.675 -1.452 87 HB2 ASP 15 1HB ASP 15 -4.478 -12.704 -2.569 88 HB3 ASP 15 2HB ASP 15 -5.499 -13.109 -1.193 89 H PHE 16 H PHE 16 -4.131 -9.884 -3.500 90 HA PHE 16 HA PHE 16 -6.382 -9.244 -5.248 91 HB2 PHE 16 1HB PHE 16 -6.157 -7.259 -3.863 92 HB3 PHE 16 2HB PHE 16 -4.428 -7.192 -4.190 93 HD1 PHE 16 2HD PHE 16 -7.661 -7.262 -6.052 94 HD2 PHE 16 1HD PHE 16 -3.703 -5.718 -5.789 95 HE1 PHE 16 2HE PHE 16 -8.093 -5.831 -8.006 96 HE2 PHE 16 1HE PHE 16 -4.129 -4.283 -7.742 97 HZ PHE 16 HZ PHE 16 -6.326 -4.339 -8.854 98 H GLU 17 H GLU 17 -5.800 -8.843 -7.421 99 HA GLU 17 HA GLU 17 -2.998 -9.394 -8.113 100 HB2 GLU 17 1HB GLU 17 -5.450 -10.751 -9.226 101 HB3 GLU 17 2HB GLU 17 -3.900 -10.767 -10.055 102 HG2 GLU 17 1HG GLU 17 -4.256 -11.750 -7.240 103 HG3 GLU 17 2HG GLU 17 -4.437 -12.787 -8.654 104 HA PRO 18 HA PRO 18 -3.445 -5.907 -10.762 105 HB2 PRO 18 1HB PRO 18 -1.384 -6.398 -12.459 106 HB3 PRO 18 2HB PRO 18 -1.149 -5.835 -10.800 107 HG2 PRO 18 1HG PRO 18 -0.950 -8.610 -11.905 108 HG3 PRO 18 2HG PRO 18 0.114 -7.787 -10.748 109 HD2 PRO 18 1HD PRO 18 -1.776 -9.567 -9.978 110 HD3 PRO 18 2HD PRO 18 -1.302 -8.183 -8.973 111 H GLU 19 H GLU 19 -4.735 -5.488 -12.444 112 HA GLU 19 HA GLU 19 -5.653 -7.650 -14.118 113 HB2 GLU 19 1HB GLU 19 -7.223 -5.961 -13.271 114 HB3 GLU 19 2HB GLU 19 -6.356 -4.710 -14.151 115 HG2 GLU 19 1HG GLU 19 -6.888 -6.009 -16.254 116 HG3 GLU 19 2HG GLU 19 -7.992 -6.965 -15.266 117 H ASN 20 H ASN 20 -3.671 -4.764 -14.470 118 HA ASN 20 HA ASN 20 -2.827 -5.749 -17.106 119 HB2 ASN 20 1HB ASN 20 -3.582 -2.912 -16.390 120 HB3 ASN 20 2HB ASN 20 -2.672 -3.333 -17.838 121 HD21 ASN 20 1HD2 ASN 20 -5.672 -2.714 -16.660 122 HD22 ASN 20 2HD2 ASN 20 -6.625 -3.496 -17.871 123 H GLU 21 H GLU 21 -0.787 -4.479 -17.825 124 HA GLU 21 HA GLU 21 1.244 -4.989 -15.943 125 HB2 GLU 21 1HB GLU 21 2.749 -3.901 -17.574 126 HB3 GLU 21 2HB GLU 21 1.691 -5.090 -18.322 127 HG2 GLU 21 1HG GLU 21 0.266 -3.349 -19.182 128 HG3 GLU 21 2HG GLU 21 1.204 -2.120 -18.335 129 H GLY 22 H GLY 22 2.454 -3.666 -14.636 130 HA2 GLY 22 1HA GLY 22 3.202 -1.473 -13.954 131 HA3 GLY 22 2HA GLY 22 1.662 -0.829 -14.506 132 H GLU 23 H GLU 23 -0.002 -2.807 -13.303 133 HA GLU 23 HA GLU 23 -0.350 -1.667 -10.754 134 HB2 GLU 23 1HB GLU 23 -1.489 -4.102 -12.100 135 HB3 GLU 23 2HB GLU 23 -1.888 -3.720 -10.431 136 HG2 GLU 23 1HG GLU 23 -2.223 -1.636 -12.534 137 HG3 GLU 23 2HG GLU 23 -3.422 -2.917 -12.372 138 H LEU 24 H LEU 24 -0.343 -2.838 -8.681 139 HA LEU 24 HA LEU 24 1.865 -4.783 -8.531 140 HB2 LEU 24 1HB LEU 24 2.608 -2.666 -7.659 141 HB3 LEU 24 2HB LEU 24 1.179 -2.545 -6.635 142 HG LEU 24 HG LEU 24 2.068 -4.676 -5.498 143 HD11 LEU 24 1HD1 LEU 24 4.174 -4.124 -7.417 144 HD12 LEU 24 2HD1 LEU 24 3.873 -5.567 -6.449 145 HD13 LEU 24 3HD1 LEU 24 4.776 -4.217 -5.761 146 HD21 LEU 24 1HD2 LEU 24 3.134 -1.901 -5.254 147 HD22 LEU 24 2HD2 LEU 24 3.815 -3.181 -4.251 148 HD23 LEU 24 3HD2 LEU 24 2.093 -2.809 -4.157 149 H GLY 25 H GLY 25 1.143 -6.710 -7.927 150 HA2 GLY 25 1HA GLY 25 -1.371 -6.944 -6.481 151 HA3 GLY 25 2HA GLY 25 -0.438 -8.262 -7.172 152 H PHE 26 H PHE 26 -1.596 -7.361 -4.381 153 HA PHE 26 HA PHE 26 0.839 -7.937 -2.834 154 HB2 PHE 26 1HB PHE 26 -0.500 -7.062 -0.884 155 HB3 PHE 26 2HB PHE 26 -0.137 -5.871 -2.129 156 HD1 PHE 26 1HD PHE 26 -2.803 -8.391 -1.427 157 HD2 PHE 26 2HD PHE 26 -1.834 -4.429 -2.641 158 HE1 PHE 26 1HE PHE 26 -5.199 -7.867 -1.617 159 HE2 PHE 26 2HE PHE 26 -4.228 -3.898 -2.832 160 HZ PHE 26 HZ PHE 26 -5.915 -5.618 -2.319 161 H LYS 27 H LYS 27 0.052 -8.972 -0.574 162 HA LYS 27 HA LYS 27 -1.741 -11.220 -1.185 163 HB2 LYS 27 1HB LYS 27 0.665 -11.887 -1.418 164 HB3 LYS 27 2HB LYS 27 0.887 -11.495 0.282 165 HG2 LYS 27 1HG LYS 27 0.594 -13.825 0.180 166 HG3 LYS 27 2HG LYS 27 -0.932 -13.171 0.780 167 HD2 LYS 27 1HD LYS 27 -1.871 -13.318 -1.484 168 HD3 LYS 27 2HD LYS 27 -0.348 -13.995 -2.065 169 HE2 LYS 27 1HE LYS 27 -0.677 -16.004 -0.982 170 HE3 LYS 27 2HE LYS 27 -1.754 -15.299 0.222 171 HZ1 LYS 27 1HZ LYS 27 -2.631 -16.767 -1.781 172 HZ2 LYS 27 2HZ LYS 27 -2.662 -15.260 -2.549 173 HZ3 LYS 27 3HZ LYS 27 -3.542 -15.501 -1.125 174 H GLU 28 H GLU 28 -2.763 -12.179 0.633 175 HA GLU 28 HA GLU 28 -3.640 -10.388 2.584 176 HB2 GLU 28 1HB GLU 28 -4.663 -12.633 1.774 177 HB3 GLU 28 2HB GLU 28 -3.667 -13.358 3.028 178 HG2 GLU 28 1HG GLU 28 -4.765 -11.692 4.618 179 HG3 GLU 28 2HG GLU 28 -5.937 -11.427 3.328 180 H GLY 29 H GLY 29 -2.726 -9.643 4.378 181 HA2 GLY 29 1HA GLY 29 -1.597 -9.797 6.430 182 HA3 GLY 29 2HA GLY 29 -0.944 -11.350 5.929 183 H ASP 30 H ASP 30 0.082 -10.476 3.405 184 HA ASP 30 HA ASP 30 2.660 -9.756 4.075 185 HB2 ASP 30 1HB ASP 30 1.076 -9.587 1.540 186 HB3 ASP 30 2HB ASP 30 2.684 -8.872 1.598 187 H ILE 31 H ILE 31 3.823 -7.851 4.133 188 HA ILE 31 HA ILE 31 2.205 -5.434 4.505 189 HB ILE 31 HB ILE 31 5.078 -5.919 5.300 190 HG12 ILE 31 1HG1 ILE 31 3.308 -7.327 6.470 191 HG13 ILE 31 2HG1 ILE 31 4.324 -6.335 7.511 192 HG21 ILE 31 1HG2 ILE 31 3.245 -3.600 5.478 193 HG22 ILE 31 2HG2 ILE 31 4.291 -3.910 6.862 194 HG23 ILE 31 3HG2 ILE 31 4.995 -3.650 5.267 195 HD11 ILE 31 1HD1 ILE 31 2.586 -5.172 8.268 196 HD12 ILE 31 2HD1 ILE 31 1.891 -4.986 6.657 197 HD13 ILE 31 3HD1 ILE 31 1.596 -6.459 7.581 198 H ILE 32 H ILE 32 2.233 -3.861 3.046 199 HA ILE 32 HA ILE 32 4.286 -3.934 0.947 200 HB ILE 32 HB ILE 32 1.570 -2.618 1.001 201 HG12 ILE 32 1HG1 ILE 32 1.452 -4.218 -1.105 202 HG13 ILE 32 2HG1 ILE 32 2.714 -5.086 -0.237 203 HG21 ILE 32 1HG2 ILE 32 2.849 -1.132 -0.258 204 HG22 ILE 32 2HG2 ILE 32 3.820 -2.421 -0.968 205 HG23 ILE 32 3HG2 ILE 32 2.144 -2.202 -1.469 206 HD11 ILE 32 1HD1 ILE 32 -0.048 -5.289 0.107 207 HD12 ILE 32 2HD1 ILE 32 1.218 -6.022 1.093 208 HD13 ILE 32 3HD1 ILE 32 0.554 -4.450 1.537 209 H THR 33 H THR 33 5.935 -2.597 1.231 210 HA THR 33 HA THR 33 6.161 -0.568 3.081 211 HB THR 33 HB THR 33 7.564 -0.598 0.403 212 HG1 THR 33 1HG THR 33 8.497 -2.352 1.107 213 HG21 THR 33 1HG2 THR 33 9.371 0.266 2.228 214 HG22 THR 33 2HG2 THR 33 7.881 0.925 2.905 215 HG23 THR 33 3HG2 THR 33 8.358 1.336 1.259 216 H LEU 34 H LEU 34 6.089 1.709 2.958 217 HA LEU 34 HA LEU 34 4.355 2.748 0.814 218 HB2 LEU 34 1HB LEU 34 4.485 3.481 3.730 219 HB3 LEU 34 2HB LEU 34 3.638 4.450 2.526 220 HG LEU 34 HG LEU 34 2.966 1.569 3.088 221 HD11 LEU 34 1HD1 LEU 34 2.423 3.926 4.671 222 HD12 LEU 34 2HD1 LEU 34 2.111 2.228 5.030 223 HD13 LEU 34 3HD1 LEU 34 0.937 3.163 4.105 224 HD21 LEU 34 1HD2 LEU 34 2.278 3.189 0.988 225 HD22 LEU 34 2HD2 LEU 34 0.919 3.397 2.093 226 HD23 LEU 34 3HD2 LEU 34 1.367 1.783 1.540 227 H THR 35 H THR 35 5.089 4.417 -0.343 228 HA THR 35 HA THR 35 7.454 5.866 0.659 229 HB THR 35 HB THR 35 8.189 6.121 -1.692 230 HG1 THR 35 1HG THR 35 7.055 4.342 -3.055 231 HG21 THR 35 1HG2 THR 35 8.793 3.676 -2.044 232 HG22 THR 35 2HG2 THR 35 7.848 3.339 -0.594 233 HG23 THR 35 3HG2 THR 35 9.264 4.385 -0.500 234 H ASN 36 H ASN 36 4.828 6.095 -1.747 235 HA ASN 36 HA ASN 36 4.164 8.749 -0.801 236 HB2 ASN 36 1HB ASN 36 6.042 8.795 -2.666 237 HB3 ASN 36 2HB ASN 36 4.666 8.566 -3.740 238 HD21 ASN 36 1HD2 ASN 36 5.854 10.601 -1.110 239 HD22 ASN 36 2HD2 ASN 36 5.085 12.051 -1.648 240 H GLN 37 H GLN 37 2.319 9.660 -2.248 241 HA GLN 37 HA GLN 37 0.542 7.434 -3.003 242 HB2 GLN 37 1HB GLN 37 -0.303 8.281 -0.950 243 HB3 GLN 37 2HB GLN 37 -0.080 9.948 -1.463 244 HG2 GLN 37 1HG GLN 37 -1.844 9.685 -3.122 245 HG3 GLN 37 2HG GLN 37 -2.061 8.006 -2.629 246 HE21 GLN 37 1HE2 GLN 37 -4.141 8.192 -1.937 247 HE22 GLN 37 2HE2 GLN 37 -4.613 9.128 -0.565 248 H ILE 38 H ILE 38 -0.546 7.604 -4.891 249 HA ILE 38 HA ILE 38 -0.031 10.017 -6.495 250 HB ILE 38 HB ILE 38 -0.642 7.194 -7.373 251 HG12 ILE 38 1HG1 ILE 38 1.666 7.760 -8.564 252 HG13 ILE 38 2HG1 ILE 38 1.815 8.880 -7.215 253 HG21 ILE 38 1HG2 ILE 38 -0.622 9.774 -8.859 254 HG22 ILE 38 2HG2 ILE 38 -0.029 8.323 -9.666 255 HG23 ILE 38 3HG2 ILE 38 -1.678 8.373 -9.043 256 HD11 ILE 38 1HD1 ILE 38 1.992 5.956 -7.274 257 HD12 ILE 38 2HD1 ILE 38 2.752 7.125 -6.193 258 HD13 ILE 38 3HD1 ILE 38 1.083 6.627 -5.920 259 H ASP 39 H ASP 39 -2.530 7.620 -5.721 260 HA ASP 39 HA ASP 39 -4.562 9.463 -6.778 261 HB2 ASP 39 1HB ASP 39 -4.335 6.923 -7.446 262 HB3 ASP 39 2HB ASP 39 -5.199 6.664 -5.933 263 H GLU 40 H GLU 40 -6.777 8.937 -5.484 264 HA GLU 40 HA GLU 40 -6.245 9.914 -2.807 265 HB2 GLU 40 1HB GLU 40 -8.844 9.471 -4.286 266 HB3 GLU 40 2HB GLU 40 -8.708 10.200 -2.692 267 HG2 GLU 40 1HG GLU 40 -7.485 12.061 -3.586 268 HG3 GLU 40 2HG GLU 40 -7.424 11.305 -5.177 269 H ASN 41 H ASN 41 -6.973 6.944 -4.329 270 HA ASN 41 HA ASN 41 -7.434 5.711 -1.697 271 HB2 ASN 41 1HB ASN 41 -8.987 5.413 -4.219 272 HB3 ASN 41 2HB ASN 41 -8.744 3.968 -3.242 273 HD21 ASN 41 1HD2 ASN 41 -10.514 6.818 -3.647 274 HD22 ASN 41 2HD2 ASN 41 -11.437 6.741 -2.189 275 H TRP 42 H TRP 42 -5.160 6.080 -3.799 276 HA TRP 42 HA TRP 42 -4.293 3.266 -3.715 277 HB2 TRP 42 1HB TRP 42 -3.767 5.263 -5.928 278 HB3 TRP 42 2HB TRP 42 -3.104 3.633 -5.848 279 HD1 TRP 42 HD TRP 42 -6.632 5.268 -5.905 280 HE1 TRP 42 1HE TRP 42 -8.179 3.748 -7.293 281 HE3 TRP 42 3HE TRP 42 -3.341 1.498 -6.952 282 HZ2 TRP 42 2HZ TRP 42 -8.024 1.278 -8.650 283 HZ3 TRP 42 3HZ TRP 42 -4.119 -0.407 -8.301 284 HH2 TRP 42 HH TRP 42 -6.413 -0.513 -9.131 285 H TYR 43 H TYR 43 -2.137 2.881 -3.241 286 HA TYR 43 HA TYR 43 -0.564 5.235 -2.423 287 HB2 TYR 43 1HB TYR 43 -0.984 2.617 -0.999 288 HB3 TYR 43 2HB TYR 43 0.420 3.625 -0.669 289 HD1 TYR 43 2HD TYR 43 -0.713 6.326 -0.754 290 HD2 TYR 43 1HD TYR 43 -2.317 2.749 0.901 291 HE1 TYR 43 2HE TYR 43 -2.039 7.660 0.831 292 HE2 TYR 43 1HE TYR 43 -3.648 4.073 2.489 293 HH TYR 43 HH TYR 43 -3.521 7.626 2.477 294 H GLU 44 H GLU 44 1.757 4.951 -2.464 295 HA GLU 44 HA GLU 44 2.578 3.057 -4.559 296 HB2 GLU 44 1HB GLU 44 2.856 5.669 -4.720 297 HB3 GLU 44 2HB GLU 44 4.268 5.376 -3.714 298 HG2 GLU 44 1HG GLU 44 4.986 3.685 -5.453 299 HG3 GLU 44 2HG GLU 44 3.717 4.350 -6.479 300 H GLY 45 H GLY 45 4.233 1.643 -4.236 301 HA2 GLY 45 1HA GLY 45 5.997 1.855 -1.970 302 HA3 GLY 45 2HA GLY 45 4.795 0.585 -1.793 303 H MET 46 H MET 46 7.133 -0.436 -1.682 304 HA MET 46 HA MET 46 7.719 -1.450 -4.385 305 HB2 MET 46 1HB MET 46 9.543 -0.502 -2.236 306 HB3 MET 46 2HB MET 46 10.063 -1.890 -3.182 307 HG2 MET 46 1HG MET 46 10.039 -0.657 -5.190 308 HG3 MET 46 2HG MET 46 9.158 0.675 -4.446 309 HE1 MET 46 1HE MET 46 9.935 2.543 -3.944 310 HE2 MET 46 2HE MET 46 10.834 2.496 -2.428 311 HE3 MET 46 3HE MET 46 11.608 3.101 -3.893 312 H LEU 47 H LEU 47 7.071 -3.487 -4.545 313 HA LEU 47 HA LEU 47 7.616 -5.316 -2.312 314 HB2 LEU 47 1HB LEU 47 5.216 -4.601 -2.359 315 HB3 LEU 47 2HB LEU 47 5.084 -5.360 -3.944 316 HG LEU 47 HG LEU 47 5.795 -7.519 -2.789 317 HD11 LEU 47 1HD1 LEU 47 4.909 -7.325 -0.293 318 HD12 LEU 47 2HD1 LEU 47 5.527 -5.683 -0.477 319 HD13 LEU 47 3HD1 LEU 47 6.601 -7.061 -0.716 320 HD21 LEU 47 1HD2 LEU 47 3.165 -6.174 -2.200 321 HD22 LEU 47 2HD2 LEU 47 3.480 -7.882 -1.891 322 HD23 LEU 47 3HD2 LEU 47 3.551 -7.255 -3.539 323 H HIS 48 H HIS 48 8.508 -7.208 -2.893 324 HA HIS 48 HA HIS 48 9.584 -8.728 -4.208 325 HB2 HIS 48 1HB HIS 48 6.869 -8.432 -5.400 326 HB3 HIS 48 2HB HIS 48 8.064 -9.358 -6.304 327 HD1 HIS 48 1HD HIS 48 8.285 -11.747 -5.673 328 HD2 HIS 48 2HD HIS 48 6.493 -9.501 -2.672 329 HE1 HIS 48 1HE HIS 48 7.591 -13.406 -3.915 330 HE2 HIS 48 2HE HIS 48 6.433 -12.033 -2.149 331 H GLY 49 H GLY 49 10.455 -6.124 -4.645 332 HA2 GLY 49 1HA GLY 49 11.757 -4.932 -6.113 333 HA3 GLY 49 2HA GLY 49 11.817 -6.388 -7.095 334 H HIS 50 H HIS 50 8.730 -5.029 -6.350 335 HA HIS 50 HA HIS 50 8.584 -3.887 -9.062 336 HB2 HIS 50 1HB HIS 50 6.450 -5.451 -7.595 337 HB3 HIS 50 2HB HIS 50 6.215 -4.634 -9.137 338 HD1 HIS 50 1HD HIS 50 8.713 -5.507 -10.645 339 HD2 HIS 50 2HD HIS 50 6.432 -8.070 -8.302 340 HE1 HIS 50 1HE HIS 50 9.191 -7.818 -11.515 341 HE2 HIS 50 2HE HIS 50 7.735 -9.344 -10.138 342 H SER 51 H SER 51 7.825 -1.866 -9.216 343 HA SER 51 HA SER 51 6.749 -0.631 -6.770 344 HB2 SER 51 1HB SER 51 7.590 1.498 -7.621 345 HB3 SER 51 2HB SER 51 8.893 0.311 -7.578 346 HG SER 51 HG SER 51 7.744 1.586 -9.720 347 H GLY 52 H GLY 52 4.586 -0.655 -6.889 348 HA2 GLY 52 1HA GLY 52 3.349 0.665 -9.195 349 HA3 GLY 52 2HA GLY 52 2.796 -0.951 -8.782 350 H PHE 53 H PHE 53 0.819 0.668 -8.750 351 HA PHE 53 HA PHE 53 0.523 1.746 -6.032 352 HB2 PHE 53 1HB PHE 53 -1.505 2.262 -8.159 353 HB3 PHE 53 2HB PHE 53 -0.967 3.305 -6.846 354 HD1 PHE 53 2HD PHE 53 1.846 3.558 -7.155 355 HD2 PHE 53 1HD PHE 53 -1.142 3.289 -10.174 356 HE1 PHE 53 2HE PHE 53 3.318 4.763 -8.715 357 HE2 PHE 53 1HE PHE 53 0.326 4.493 -11.739 358 HZ PHE 53 HZ PHE 53 2.559 5.232 -11.010 359 H PHE 54 H PHE 54 -0.910 0.904 -4.635 360 HA PHE 54 HA PHE 54 -2.735 -1.182 -5.635 361 HB2 PHE 54 1HB PHE 54 -2.437 -2.197 -3.296 362 HB3 PHE 54 2HB PHE 54 -1.103 -2.377 -4.431 363 HD1 PHE 54 1HD PHE 54 0.786 -0.628 -4.281 364 HD2 PHE 54 2HD PHE 54 -2.057 -1.322 -1.191 365 HE1 PHE 54 1HE PHE 54 2.314 0.399 -2.649 366 HE2 PHE 54 2HE PHE 54 -0.534 -0.296 0.446 367 HZ PHE 54 HZ PHE 54 1.654 0.567 -0.282 368 HA PRO 55 HA PRO 55 -6.051 0.980 -3.739 369 HB2 PRO 55 1HB PRO 55 -7.678 -1.075 -3.034 370 HB3 PRO 55 2HB PRO 55 -7.450 -0.562 -4.710 371 HG2 PRO 55 1HG PRO 55 -6.180 -2.837 -3.236 372 HG3 PRO 55 2HG PRO 55 -6.835 -2.798 -4.883 373 HD2 PRO 55 1HD PRO 55 -4.184 -2.614 -4.366 374 HD3 PRO 55 2HD PRO 55 -4.946 -1.798 -5.746 375 H ILE 56 H ILE 56 -6.977 1.530 -1.744 376 HA ILE 56 HA ILE 56 -5.454 0.608 0.569 377 HB ILE 56 HB ILE 56 -7.443 2.874 0.387 378 HG12 ILE 56 1HG1 ILE 56 -4.427 3.047 0.437 379 HG13 ILE 56 2HG1 ILE 56 -5.372 3.101 -1.047 380 HG21 ILE 56 1HG2 ILE 56 -5.595 3.277 2.459 381 HG22 ILE 56 2HG2 ILE 56 -7.314 2.915 2.602 382 HG23 ILE 56 3HG2 ILE 56 -6.135 1.604 2.599 383 HD11 ILE 56 1HD1 ILE 56 -4.995 5.329 -0.572 384 HD12 ILE 56 2HD1 ILE 56 -6.608 5.057 0.088 385 HD13 ILE 56 3HD1 ILE 56 -5.211 5.102 1.163 386 H ASN 57 H ASN 57 -8.591 0.341 -0.837 387 HA ASN 57 HA ASN 57 -10.107 -0.247 1.460 388 HB2 ASN 57 1HB ASN 57 -11.817 -0.815 0.013 389 HB3 ASN 57 2HB ASN 57 -10.824 0.196 -1.033 390 HD21 ASN 57 1HD2 ASN 57 -12.211 -2.854 -0.561 391 HD22 ASN 57 2HD2 ASN 57 -11.506 -3.654 -1.921 392 H TYR 58 H TYR 58 -7.624 -1.975 -0.038 393 HA TYR 58 HA TYR 58 -8.550 -4.538 1.058 394 HB2 TYR 58 1HB TYR 58 -6.678 -3.771 -1.130 395 HB3 TYR 58 2HB TYR 58 -6.357 -5.268 -0.263 396 HD1 TYR 58 2HD TYR 58 -8.804 -6.561 0.173 397 HD2 TYR 58 1HD TYR 58 -7.716 -4.136 -3.149 398 HE1 TYR 58 2HE TYR 58 -10.468 -7.726 -1.215 399 HE2 TYR 58 1HE TYR 58 -9.377 -5.294 -4.546 400 HH TYR 58 HH TYR 58 -10.518 -7.914 -4.257 401 H VAL 59 H VAL 59 -6.029 -2.128 1.289 402 HA VAL 59 HA VAL 59 -4.799 -3.663 3.485 403 HB VAL 59 HB VAL 59 -2.712 -2.741 3.016 404 HG11 VAL 59 1HG1 VAL 59 -3.579 -4.330 1.265 405 HG12 VAL 59 2HG1 VAL 59 -3.910 -2.918 0.259 406 HG13 VAL 59 3HG1 VAL 59 -2.256 -3.284 0.751 407 HG21 VAL 59 1HG2 VAL 59 -4.263 -0.583 1.657 408 HG22 VAL 59 2HG2 VAL 59 -2.989 -0.457 2.870 409 HG23 VAL 59 3HG2 VAL 59 -2.582 -0.862 1.202 410 H GLU 60 H GLU 60 -4.739 -2.790 5.471 411 HA GLU 60 HA GLU 60 -6.066 -0.232 5.869 412 HB2 GLU 60 1HB GLU 60 -6.369 -2.489 7.219 413 HB3 GLU 60 2HB GLU 60 -5.007 -1.860 8.135 414 HG2 GLU 60 1HG GLU 60 -7.430 -0.178 7.641 415 HG3 GLU 60 2HG GLU 60 -7.392 -1.360 8.948 416 H ILE 61 H ILE 61 -5.138 1.572 6.740 417 HA ILE 61 HA ILE 61 -2.223 1.646 6.706 418 HB ILE 61 HB ILE 61 -4.250 3.876 6.898 419 HG12 ILE 61 1HG1 ILE 61 -4.267 2.897 4.705 420 HG13 ILE 61 2HG1 ILE 61 -3.375 4.411 4.604 421 HG21 ILE 61 1HG2 ILE 61 -2.321 5.375 6.520 422 HG22 ILE 61 2HG2 ILE 61 -2.239 4.521 8.060 423 HG23 ILE 61 3HG2 ILE 61 -1.245 3.990 6.704 424 HD11 ILE 61 1HD1 ILE 61 -2.251 2.729 3.319 425 HD12 ILE 61 2HD1 ILE 61 -1.270 3.127 4.731 426 HD13 ILE 61 3HD1 ILE 61 -2.215 1.638 4.704 427 H LEU 62 H LEU 62 -1.083 1.473 8.509 428 HA LEU 62 HA LEU 62 -2.408 1.914 11.084 429 HB2 LEU 62 1HB LEU 62 0.320 0.735 10.638 430 HB3 LEU 62 2HB LEU 62 -0.701 0.605 12.069 431 HG LEU 62 HG LEU 62 -1.626 -0.572 9.482 432 HD11 LEU 62 1HD1 LEU 62 0.242 -1.811 9.397 433 HD12 LEU 62 2HD1 LEU 62 -0.496 -2.697 10.731 434 HD13 LEU 62 3HD1 LEU 62 0.691 -1.436 11.062 435 HD21 LEU 62 1HD2 LEU 62 -3.187 -1.530 10.757 436 HD22 LEU 62 2HD2 LEU 62 -2.695 -0.392 12.011 437 HD23 LEU 62 3HD2 LEU 62 -2.013 -2.019 11.978 438 H VAL 63 H VAL 63 0.437 2.897 9.230 439 HA VAL 63 HA VAL 63 0.845 5.094 11.154 440 HB VAL 63 HB VAL 63 2.862 3.660 9.428 441 HG11 VAL 63 1HG1 VAL 63 4.297 5.399 10.972 442 HG12 VAL 63 2HG1 VAL 63 3.891 5.645 9.272 443 HG13 VAL 63 3HG1 VAL 63 2.891 6.368 10.532 444 HG21 VAL 63 1HG2 VAL 63 3.495 2.576 11.276 445 HG22 VAL 63 2HG2 VAL 63 3.430 4.038 12.260 446 HG23 VAL 63 3HG2 VAL 63 1.962 3.106 11.969 447 H ALA 64 H ALA 64 0.024 6.912 10.353 448 HA ALA 64 HA ALA 64 -0.521 7.404 7.643 449 HB1 ALA 64 1HB ALA 64 -1.801 8.756 8.939 450 HB2 ALA 64 2HB ALA 64 -0.524 9.014 10.128 451 HB3 ALA 64 3HB ALA 64 -0.494 9.890 8.598 452 H LEU 65 H LEU 65 0.817 7.844 6.028 453 HA LEU 65 HA LEU 65 3.541 8.072 6.154 454 HB2 LEU 65 1HB LEU 65 1.527 9.024 4.165 455 HB3 LEU 65 2HB LEU 65 3.229 9.421 3.942 456 HG LEU 65 HG LEU 65 2.463 6.570 4.364 457 HD11 LEU 65 1HD1 LEU 65 0.977 7.768 2.586 458 HD12 LEU 65 2HD1 LEU 65 1.721 6.212 2.219 459 HD13 LEU 65 3HD1 LEU 65 2.440 7.700 1.604 460 HD21 LEU 65 1HD2 LEU 65 4.730 6.688 4.191 461 HD22 LEU 65 2HD2 LEU 65 4.691 8.132 3.178 462 HD23 LEU 65 3HD2 LEU 65 4.328 6.553 2.478 463 HA PRO 66 HA PRO 66 4.578 12.063 7.662 464 HB2 PRO 66 1HB PRO 66 6.841 12.582 6.256 465 HB3 PRO 66 2HB PRO 66 6.775 11.396 7.565 466 HG2 PRO 66 1HG PRO 66 6.648 10.961 4.606 467 HG3 PRO 66 2HG PRO 66 7.544 10.047 5.834 468 HD2 PRO 66 1HD PRO 66 5.190 9.187 4.807 469 HD3 PRO 66 2HD PRO 66 5.684 8.846 6.477 470 H HIS 67 H HIS 67 2.967 13.450 6.979 471 HA HIS 67 HA HIS 67 3.021 14.488 4.261 472 HB2 HIS 67 1HB HIS 67 1.151 15.143 6.548 473 HB3 HIS 67 2HB HIS 67 0.947 15.634 4.869 474 HD1 HIS 67 1HD HIS 67 0.248 12.898 7.204 475 HD2 HIS 67 2HD HIS 67 0.364 13.431 3.085 476 HE1 HIS 67 1HE HIS 67 -0.971 10.923 6.236 477 HE2 HIS 67 2HE HIS 67 -0.814 11.223 3.740 478 H SER 68 H SER 68 3.370 16.639 3.720 479 HA SER 68 HA SER 68 4.742 18.222 5.792 480 HB2 SER 68 1HB SER 68 5.979 17.382 3.650 481 HB3 SER 68 2HB SER 68 5.112 18.692 2.849 482 HG SER 68 HG SER 68 6.047 20.122 4.393 483 H GLY 69 H GLY 69 4.409 20.487 5.848 484 HA2 GLY 69 1HA GLY 69 3.160 22.410 5.739 485 HA3 GLY 69 2HA GLY 69 2.643 21.877 4.146 486 HA PRO 70 HA PRO 70 -0.494 20.189 7.462 487 HB2 PRO 70 1HB PRO 70 -0.519 21.585 9.791 488 HB3 PRO 70 2HB PRO 70 0.476 20.145 9.544 489 HG2 PRO 70 1HG PRO 70 1.251 23.032 9.389 490 HG3 PRO 70 2HG PRO 70 2.122 21.679 10.134 491 HD2 PRO 70 1HD PRO 70 2.768 22.660 7.694 492 HD3 PRO 70 2HD PRO 70 2.965 20.948 8.118 493 H SER 71 H SER 71 -1.896 21.142 5.959 494 HA SER 71 HA SER 71 -2.918 23.799 6.726 495 HB2 SER 71 1HB SER 71 -2.508 22.571 4.011 496 HB3 SER 71 2HB SER 71 -3.690 23.858 4.251 497 HG SER 71 HG SER 71 -0.893 23.936 4.490 498 H SER 72 H SER 72 -5.165 24.136 6.602 499 HA SER 72 HA SER 72 -6.858 22.384 7.681 500 HB2 SER 72 1HB SER 72 -7.482 24.698 7.078 501 HB3 SER 72 2HB SER 72 -7.631 24.209 5.391 502 HG SER 72 HG SER 72 -9.067 22.750 7.280 503 H GLY 73 H GLY 73 -6.243 22.573 4.183 504 HA2 GLY 73 1HA GLY 73 -6.394 20.949 2.559 505 HA3 GLY 73 2HA GLY 73 -6.560 19.764 3.846 Start of MODEL 18 1 H1 GLY 1 H GLY 1 15.936 -8.820 1.537 2 HA2 GLY 1 1HA GLY 1 17.690 -10.018 2.925 3 HA3 GLY 1 2HA GLY 1 17.670 -8.272 3.125 4 H SER 2 H SER 2 18.477 -10.442 4.976 5 HA SER 2 HA SER 2 16.730 -11.017 6.993 6 HB2 SER 2 1HB SER 2 19.650 -10.260 7.209 7 HB3 SER 2 2HB SER 2 18.718 -10.962 8.531 8 HG SER 2 HG SER 2 19.424 -12.125 6.056 9 H SER 3 H SER 3 18.665 -8.050 6.687 10 HA SER 3 HA SER 3 17.678 -6.820 9.029 11 HB2 SER 3 1HB SER 3 18.977 -5.702 6.543 12 HB3 SER 3 2HB SER 3 18.527 -4.693 7.917 13 HG SER 3 HG SER 3 19.944 -5.851 9.200 14 H GLY 4 H GLY 4 15.736 -6.008 9.437 15 HA2 GLY 4 1HA GLY 4 13.805 -5.720 7.298 16 HA3 GLY 4 2HA GLY 4 13.498 -5.528 9.018 17 H SER 5 H SER 5 12.341 -3.780 7.311 18 HA SER 5 HA SER 5 13.954 -1.331 7.616 19 HB2 SER 5 1HB SER 5 12.714 -0.396 5.718 20 HB3 SER 5 2HB SER 5 13.510 -1.900 5.257 21 HG SER 5 HG SER 5 11.252 -1.655 4.594 22 H SER 6 H SER 6 12.693 0.659 7.979 23 HA SER 6 HA SER 6 10.246 0.128 9.534 24 HB2 SER 6 1HB SER 6 12.457 0.822 10.769 25 HB3 SER 6 2HB SER 6 12.045 2.436 10.189 26 HG SER 6 HG SER 6 10.934 2.400 12.007 27 H GLY 7 H GLY 7 9.074 2.350 9.945 28 HA2 GLY 7 1HA GLY 7 8.656 4.552 8.923 29 HA3 GLY 7 2HA GLY 7 9.011 3.804 7.373 30 HA PRO 8 HA PRO 8 4.411 3.872 7.917 31 HB2 PRO 8 1HB PRO 8 3.895 4.769 5.407 32 HB3 PRO 8 2HB PRO 8 4.235 5.851 6.763 33 HG2 PRO 8 1HG PRO 8 6.065 4.900 4.593 34 HG3 PRO 8 2HG PRO 8 5.894 6.526 5.279 35 HD2 PRO 8 1HD PRO 8 7.895 4.847 5.991 36 HD3 PRO 8 2HD PRO 8 7.188 6.022 7.119 37 H CYS 9 H CYS 9 3.588 1.888 7.753 38 HA CYS 9 HA CYS 9 3.811 0.474 5.195 39 HB2 CYS 9 1HB CYS 9 4.356 -1.619 6.259 40 HB3 CYS 9 2HB CYS 9 5.536 -0.416 6.766 41 HG CYS 9 HG CYS 9 4.788 -2.228 8.867 42 H CYS 10 H CYS 10 2.176 -1.176 4.888 43 HA CYS 10 HA CYS 10 -0.162 -0.879 6.646 44 HB2 CYS 10 1HB CYS 10 -1.645 -0.761 4.739 45 HB3 CYS 10 2HB CYS 10 -0.434 0.507 4.597 46 HG CYS 10 HG CYS 10 1.139 -1.265 2.845 47 H ARG 11 H ARG 11 -1.595 -2.670 6.695 48 HA ARG 11 HA ARG 11 -0.299 -5.185 5.901 49 HB2 ARG 11 1HB ARG 11 -0.694 -4.970 8.294 50 HB3 ARG 11 2HB ARG 11 -2.396 -4.634 8.007 51 HG2 ARG 11 1HG ARG 11 -2.730 -6.872 7.153 52 HG3 ARG 11 2HG ARG 11 -1.008 -7.217 7.325 53 HD2 ARG 11 1HD ARG 11 -2.157 -8.182 9.190 54 HD3 ARG 11 2HD ARG 11 -1.236 -6.794 9.768 55 HE ARG 11 HE ARG 11 -3.969 -6.193 9.095 56 HH11 ARG 11 2HH1 ARG 11 -1.793 -7.288 11.582 57 HH12 ARG 11 1HH1 ARG 11 -2.832 -6.813 12.883 58 HH21 ARG 11 2HH2 ARG 11 -5.347 -5.562 10.800 59 HH22 ARG 11 1HH2 ARG 11 -4.854 -5.831 12.438 60 H ALA 12 H ALA 12 -1.293 -6.617 4.583 61 HA ALA 12 HA ALA 12 -3.598 -5.708 3.111 62 HB1 ALA 12 1HB ALA 12 -3.262 -7.856 1.846 63 HB2 ALA 12 2HB ALA 12 -1.889 -6.749 1.836 64 HB3 ALA 12 3HB ALA 12 -1.874 -8.164 2.889 65 H LEU 13 H LEU 13 -5.657 -6.324 3.358 66 HA LEU 13 HA LEU 13 -6.255 -8.271 5.464 67 HB2 LEU 13 1HB LEU 13 -8.046 -6.274 4.088 68 HB3 LEU 13 2HB LEU 13 -8.517 -7.330 5.419 69 HG LEU 13 HG LEU 13 -6.247 -5.441 5.827 70 HD11 LEU 13 1HD1 LEU 13 -7.556 -3.574 6.146 71 HD12 LEU 13 2HD1 LEU 13 -9.041 -4.509 6.312 72 HD13 LEU 13 3HD1 LEU 13 -8.307 -4.296 4.723 73 HD21 LEU 13 1HD2 LEU 13 -7.052 -7.203 7.478 74 HD22 LEU 13 2HD2 LEU 13 -8.486 -6.196 7.683 75 HD23 LEU 13 3HD2 LEU 13 -6.892 -5.554 8.083 76 H TYR 14 H TYR 14 -6.448 -7.794 2.053 77 HA TYR 14 HA TYR 14 -7.755 -10.413 1.791 78 HB2 TYR 14 1HB TYR 14 -8.477 -7.845 0.410 79 HB3 TYR 14 2HB TYR 14 -8.799 -9.396 -0.359 80 HD1 TYR 14 1HD TYR 14 -9.338 -7.673 2.915 81 HD2 TYR 14 2HD TYR 14 -10.855 -10.381 0.006 82 HE1 TYR 14 1HE TYR 14 -11.431 -7.863 4.193 83 HE2 TYR 14 2HE TYR 14 -12.953 -10.578 1.275 84 HH TYR 14 HH TYR 14 -13.471 -10.143 4.051 85 H ASP 15 H ASP 15 -7.636 -10.932 -0.776 86 HA ASP 15 HA ASP 15 -4.780 -10.680 -1.445 87 HB2 ASP 15 1HB ASP 15 -6.720 -12.811 -2.364 88 HB3 ASP 15 2HB ASP 15 -4.980 -12.782 -2.637 89 H PHE 16 H PHE 16 -4.492 -9.117 -2.898 90 HA PHE 16 HA PHE 16 -6.528 -8.473 -4.845 91 HB2 PHE 16 1HB PHE 16 -5.238 -6.676 -3.791 92 HB3 PHE 16 2HB PHE 16 -3.749 -7.345 -4.449 93 HD1 PHE 16 2HD PHE 16 -6.959 -7.102 -6.252 94 HD2 PHE 16 1HD PHE 16 -3.051 -5.497 -5.736 95 HE1 PHE 16 2HE PHE 16 -7.252 -5.745 -8.283 96 HE2 PHE 16 1HE PHE 16 -3.338 -4.136 -7.766 97 HZ PHE 16 HZ PHE 16 -5.440 -4.260 -9.043 98 H GLU 17 H GLU 17 -6.613 -9.125 -6.902 99 HA GLU 17 HA GLU 17 -4.280 -10.562 -7.989 100 HB2 GLU 17 1HB GLU 17 -6.098 -12.111 -7.527 101 HB3 GLU 17 2HB GLU 17 -7.217 -11.113 -8.445 102 HG2 GLU 17 1HG GLU 17 -6.408 -11.805 -10.458 103 HG3 GLU 17 2HG GLU 17 -4.792 -12.119 -9.827 104 HA PRO 18 HA PRO 18 -4.797 -7.013 -10.793 105 HB2 PRO 18 1HB PRO 18 -2.214 -7.037 -11.627 106 HB3 PRO 18 2HB PRO 18 -2.731 -6.263 -10.125 107 HG2 PRO 18 1HG PRO 18 -1.477 -8.950 -10.536 108 HG3 PRO 18 2HG PRO 18 -1.132 -7.733 -9.293 109 HD2 PRO 18 1HD PRO 18 -2.673 -9.908 -8.816 110 HD3 PRO 18 2HD PRO 18 -2.944 -8.349 -8.009 111 H GLU 19 H GLU 19 -4.857 -6.880 -13.051 112 HA GLU 19 HA GLU 19 -4.556 -9.460 -14.440 113 HB2 GLU 19 1HB GLU 19 -6.880 -8.565 -14.274 114 HB3 GLU 19 2HB GLU 19 -6.363 -7.160 -15.196 115 HG2 GLU 19 1HG GLU 19 -7.544 -8.932 -16.506 116 HG3 GLU 19 2HG GLU 19 -5.966 -8.455 -17.131 117 H ASN 20 H ASN 20 -3.818 -6.053 -14.491 118 HA ASN 20 HA ASN 20 -2.202 -6.474 -16.920 119 HB2 ASN 20 1HB ASN 20 -2.479 -4.094 -17.415 120 HB3 ASN 20 2HB ASN 20 -4.048 -4.883 -17.279 121 HD21 ASN 20 1HD2 ASN 20 -5.495 -3.788 -16.188 122 HD22 ASN 20 2HD2 ASN 20 -5.182 -2.662 -14.916 123 H GLU 21 H GLU 21 -0.340 -4.842 -17.044 124 HA GLU 21 HA GLU 21 1.326 -5.249 -14.776 125 HB2 GLU 21 1HB GLU 21 1.750 -3.475 -17.187 126 HB3 GLU 21 2HB GLU 21 2.988 -3.929 -16.025 127 HG2 GLU 21 1HG GLU 21 1.470 -6.026 -17.516 128 HG3 GLU 21 2HG GLU 21 2.828 -5.192 -18.269 129 H GLY 22 H GLY 22 2.643 -3.313 -13.900 130 HA2 GLY 22 1HA GLY 22 2.721 -1.196 -12.934 131 HA3 GLY 22 2HA GLY 22 1.157 -0.840 -13.652 132 H GLU 23 H GLU 23 -0.471 -2.755 -12.660 133 HA GLU 23 HA GLU 23 -1.027 -1.821 -10.067 134 HB2 GLU 23 1HB GLU 23 -2.018 -4.291 -11.500 135 HB3 GLU 23 2HB GLU 23 -2.688 -3.679 -9.995 136 HG2 GLU 23 1HG GLU 23 -3.278 -1.582 -11.136 137 HG3 GLU 23 2HG GLU 23 -2.666 -2.255 -12.646 138 H LEU 24 H LEU 24 -0.327 -2.425 -8.121 139 HA LEU 24 HA LEU 24 1.584 -4.612 -7.945 140 HB2 LEU 24 1HB LEU 24 1.893 -2.283 -6.937 141 HB3 LEU 24 2HB LEU 24 0.741 -2.798 -5.707 142 HG LEU 24 HG LEU 24 2.317 -4.698 -5.190 143 HD11 LEU 24 1HD1 LEU 24 4.745 -3.691 -5.961 144 HD12 LEU 24 2HD1 LEU 24 3.749 -3.432 -7.392 145 HD13 LEU 24 3HD1 LEU 24 3.911 -5.051 -6.712 146 HD21 LEU 24 1HD2 LEU 24 2.380 -3.072 -3.577 147 HD22 LEU 24 2HD2 LEU 24 2.872 -1.811 -4.708 148 HD23 LEU 24 3HD2 LEU 24 4.045 -3.008 -4.156 149 H GLY 25 H GLY 25 0.906 -6.590 -7.470 150 HA2 GLY 25 1HA GLY 25 -1.643 -6.951 -6.086 151 HA3 GLY 25 2HA GLY 25 -0.723 -8.200 -6.912 152 H PHE 26 H PHE 26 -1.838 -7.522 -4.024 153 HA PHE 26 HA PHE 26 0.557 -8.528 -2.632 154 HB2 PHE 26 1HB PHE 26 -0.268 -7.379 -0.601 155 HB3 PHE 26 2HB PHE 26 0.077 -6.254 -1.911 156 HD1 PHE 26 1HD PHE 26 -2.783 -8.253 -0.589 157 HD2 PHE 26 2HD PHE 26 -1.451 -4.594 -2.308 158 HE1 PHE 26 1HE PHE 26 -5.058 -7.336 -0.392 159 HE2 PHE 26 2HE PHE 26 -3.723 -3.671 -2.113 160 HZ PHE 26 HZ PHE 26 -5.530 -5.042 -1.153 161 H LYS 27 H LYS 27 -0.195 -9.506 -0.399 162 HA LYS 27 HA LYS 27 -2.623 -11.109 -0.782 163 HB2 LYS 27 1HB LYS 27 0.133 -12.164 -0.145 164 HB3 LYS 27 2HB LYS 27 -1.336 -13.097 0.109 165 HG2 LYS 27 1HG LYS 27 -1.784 -12.569 -2.398 166 HG3 LYS 27 2HG LYS 27 -0.047 -12.253 -2.445 167 HD2 LYS 27 1HD LYS 27 0.119 -14.562 -1.242 168 HD3 LYS 27 2HD LYS 27 -1.501 -14.809 -1.899 169 HE2 LYS 27 1HE LYS 27 -0.105 -15.708 -3.532 170 HE3 LYS 27 2HE LYS 27 -0.471 -14.096 -4.144 171 HZ1 LYS 27 1HZ LYS 27 2.033 -15.075 -2.924 172 HZ2 LYS 27 2HZ LYS 27 1.681 -13.422 -2.981 173 HZ3 LYS 27 3HZ LYS 27 1.812 -14.308 -4.416 174 H GLU 28 H GLU 28 -3.804 -11.404 1.027 175 HA GLU 28 HA GLU 28 -3.708 -9.839 3.208 176 HB2 GLU 28 1HB GLU 28 -5.552 -11.373 2.786 177 HB3 GLU 28 2HB GLU 28 -4.528 -12.748 3.176 178 HG2 GLU 28 1HG GLU 28 -5.155 -10.566 5.141 179 HG3 GLU 28 2HG GLU 28 -6.136 -12.019 4.965 180 H GLY 29 H GLY 29 -2.528 -9.584 5.009 181 HA2 GLY 29 1HA GLY 29 -1.209 -10.334 6.831 182 HA3 GLY 29 2HA GLY 29 -0.782 -11.762 5.900 183 H ASP 30 H ASP 30 -0.196 -10.059 3.516 184 HA ASP 30 HA ASP 30 2.573 -9.597 4.125 185 HB2 ASP 30 1HB ASP 30 0.920 -9.263 1.624 186 HB3 ASP 30 2HB ASP 30 2.623 -8.818 1.695 187 H ILE 31 H ILE 31 3.676 -7.660 4.170 188 HA ILE 31 HA ILE 31 1.999 -5.293 4.608 189 HB ILE 31 HB ILE 31 4.927 -5.536 5.270 190 HG12 ILE 31 1HG1 ILE 31 3.364 -7.309 6.341 191 HG13 ILE 31 2HG1 ILE 31 4.446 -6.397 7.388 192 HG21 ILE 31 1HG2 ILE 31 4.506 -3.707 6.770 193 HG22 ILE 31 2HG2 ILE 31 3.895 -3.282 5.172 194 HG23 ILE 31 3HG2 ILE 31 2.775 -3.780 6.440 195 HD11 ILE 31 1HD1 ILE 31 2.694 -5.059 8.198 196 HD12 ILE 31 2HD1 ILE 31 1.596 -5.588 6.923 197 HD13 ILE 31 3HD1 ILE 31 2.077 -6.710 8.195 198 H ILE 32 H ILE 32 1.891 -3.788 3.090 199 HA ILE 32 HA ILE 32 3.889 -3.775 0.950 200 HB ILE 32 HB ILE 32 1.255 -2.303 1.072 201 HG12 ILE 32 1HG1 ILE 32 0.781 -4.151 -0.764 202 HG13 ILE 32 2HG1 ILE 32 2.005 -5.040 0.136 203 HG21 ILE 32 1HG2 ILE 32 2.112 -1.182 -0.653 204 HG22 ILE 32 2HG2 ILE 32 3.494 -2.270 -0.771 205 HG23 ILE 32 3HG2 ILE 32 1.976 -2.684 -1.568 206 HD11 ILE 32 1HD1 ILE 32 0.274 -4.050 2.072 207 HD12 ILE 32 2HD1 ILE 32 -0.766 -4.592 0.755 208 HD13 ILE 32 3HD1 ILE 32 0.386 -5.709 1.485 209 H THR 33 H THR 33 5.538 -2.428 1.178 210 HA THR 33 HA THR 33 5.759 -0.377 3.038 211 HB THR 33 HB THR 33 7.221 -0.564 0.397 212 HG1 THR 33 1HG THR 33 7.461 -1.929 2.827 213 HG21 THR 33 1HG2 THR 33 7.687 1.564 1.258 214 HG22 THR 33 2HG2 THR 33 9.026 0.572 1.835 215 HG23 THR 33 3HG2 THR 33 7.703 0.986 2.924 216 H LEU 34 H LEU 34 5.874 1.932 2.744 217 HA LEU 34 HA LEU 34 4.107 2.911 0.598 218 HB2 LEU 34 1HB LEU 34 4.256 3.648 3.499 219 HB3 LEU 34 2HB LEU 34 3.600 4.771 2.310 220 HG LEU 34 HG LEU 34 2.484 2.006 2.481 221 HD11 LEU 34 1HD1 LEU 34 1.842 4.279 4.352 222 HD12 LEU 34 2HD1 LEU 34 2.474 2.689 4.781 223 HD13 LEU 34 3HD1 LEU 34 0.839 2.843 4.138 224 HD21 LEU 34 1HD2 LEU 34 1.656 3.272 0.677 225 HD22 LEU 34 2HD2 LEU 34 1.488 4.723 1.666 226 HD23 LEU 34 3HD2 LEU 34 0.406 3.352 1.919 227 H THR 35 H THR 35 4.774 4.632 -0.566 228 HA THR 35 HA THR 35 7.211 6.032 0.308 229 HB THR 35 HB THR 35 8.104 6.031 -1.930 230 HG1 THR 35 1HG THR 35 6.207 6.056 -3.150 231 HG21 THR 35 1HG2 THR 35 7.705 3.259 -2.160 232 HG22 THR 35 2HG2 THR 35 7.630 3.621 -0.436 233 HG23 THR 35 3HG2 THR 35 9.047 4.089 -1.375 234 H ASN 36 H ASN 36 4.605 6.121 -2.128 235 HA ASN 36 HA ASN 36 3.995 8.857 -1.395 236 HB2 ASN 36 1HB ASN 36 5.858 8.709 -3.269 237 HB3 ASN 36 2HB ASN 36 4.470 8.413 -4.312 238 HD21 ASN 36 1HD2 ASN 36 5.459 10.605 -1.702 239 HD22 ASN 36 2HD2 ASN 36 4.809 12.033 -2.426 240 H GLN 37 H GLN 37 2.160 9.681 -2.913 241 HA GLN 37 HA GLN 37 0.357 7.443 -3.547 242 HB2 GLN 37 1HB GLN 37 -0.325 8.408 -1.415 243 HB3 GLN 37 2HB GLN 37 -0.361 10.015 -2.129 244 HG2 GLN 37 1HG GLN 37 -2.097 9.007 -3.748 245 HG3 GLN 37 2HG GLN 37 -2.234 7.724 -2.546 246 HE21 GLN 37 1HE2 GLN 37 -4.388 8.314 -2.153 247 HE22 GLN 37 2HE2 GLN 37 -4.786 9.709 -1.216 248 H ILE 38 H ILE 38 -0.586 7.539 -5.488 249 HA ILE 38 HA ILE 38 -0.173 9.965 -7.086 250 HB ILE 38 HB ILE 38 -0.785 7.128 -7.913 251 HG12 ILE 38 1HG1 ILE 38 1.472 7.753 -9.201 252 HG13 ILE 38 2HG1 ILE 38 1.644 8.849 -7.835 253 HG21 ILE 38 1HG2 ILE 38 -1.894 8.241 -9.573 254 HG22 ILE 38 2HG2 ILE 38 -0.890 9.682 -9.431 255 HG23 ILE 38 3HG2 ILE 38 -0.263 8.248 -10.243 256 HD11 ILE 38 1HD1 ILE 38 2.599 6.391 -7.795 257 HD12 ILE 38 2HD1 ILE 38 1.948 7.162 -6.347 258 HD13 ILE 38 3HD1 ILE 38 0.958 6.024 -7.262 259 H ASP 39 H ASP 39 -2.670 7.586 -6.251 260 HA ASP 39 HA ASP 39 -4.711 9.429 -7.289 261 HB2 ASP 39 1HB ASP 39 -4.502 6.878 -7.934 262 HB3 ASP 39 2HB ASP 39 -5.356 6.644 -6.412 263 H GLU 40 H GLU 40 -6.910 8.875 -5.947 264 HA GLU 40 HA GLU 40 -6.333 9.891 -3.291 265 HB2 GLU 40 1HB GLU 40 -8.845 9.563 -4.910 266 HB3 GLU 40 2HB GLU 40 -8.914 9.944 -3.195 267 HG2 GLU 40 1HG GLU 40 -9.095 11.964 -4.480 268 HG3 GLU 40 2HG GLU 40 -7.563 11.956 -3.608 269 H ASN 41 H ASN 41 -7.059 6.903 -4.770 270 HA ASN 41 HA ASN 41 -7.486 5.695 -2.120 271 HB2 ASN 41 1HB ASN 41 -9.052 5.347 -4.631 272 HB3 ASN 41 2HB ASN 41 -8.794 3.923 -3.627 273 HD21 ASN 41 1HD2 ASN 41 -8.941 4.838 -1.122 274 HD22 ASN 41 2HD2 ASN 41 -10.495 5.523 -0.804 275 H TRP 42 H TRP 42 -5.224 6.064 -4.227 276 HA TRP 42 HA TRP 42 -4.318 3.266 -4.099 277 HB2 TRP 42 1HB TRP 42 -3.946 5.200 -6.396 278 HB3 TRP 42 2HB TRP 42 -3.150 3.633 -6.270 279 HD1 TRP 42 HD TRP 42 -6.656 5.159 -6.741 280 HE1 TRP 42 1HE TRP 42 -8.162 3.393 -7.852 281 HE3 TRP 42 3HE TRP 42 -3.438 1.187 -6.666 282 HZ2 TRP 42 2HZ TRP 42 -8.007 0.675 -8.598 283 HZ3 TRP 42 3HZ TRP 42 -4.195 -0.961 -7.598 284 HH2 TRP 42 HH TRP 42 -6.432 -1.210 -8.543 285 H TYR 43 H TYR 43 -2.243 2.938 -3.453 286 HA TYR 43 HA TYR 43 -0.716 5.342 -2.706 287 HB2 TYR 43 1HB TYR 43 -1.108 2.693 -1.409 288 HB3 TYR 43 2HB TYR 43 0.470 3.453 -1.231 289 HD1 TYR 43 2HD TYR 43 -0.219 6.292 -1.016 290 HD2 TYR 43 1HD TYR 43 -2.144 2.888 0.662 291 HE1 TYR 43 2HE TYR 43 -1.096 7.693 0.805 292 HE2 TYR 43 1HE TYR 43 -3.028 4.280 2.487 293 HH TYR 43 HH TYR 43 -2.758 7.744 2.452 294 H GLU 44 H GLU 44 1.749 4.607 -2.395 295 HA GLU 44 HA GLU 44 2.578 3.055 -4.744 296 HB2 GLU 44 1HB GLU 44 2.568 5.645 -5.051 297 HB3 GLU 44 2HB GLU 44 4.010 5.595 -4.047 298 HG2 GLU 44 1HG GLU 44 4.782 3.784 -5.765 299 HG3 GLU 44 2HG GLU 44 3.580 4.552 -6.801 300 H GLY 45 H GLY 45 3.985 1.536 -4.184 301 HA2 GLY 45 1HA GLY 45 6.077 2.094 -2.252 302 HA3 GLY 45 2HA GLY 45 4.906 0.885 -1.746 303 H MET 46 H MET 46 7.151 -0.236 -1.730 304 HA MET 46 HA MET 46 7.684 -1.393 -4.382 305 HB2 MET 46 1HB MET 46 9.389 -0.831 -2.010 306 HB3 MET 46 2HB MET 46 9.779 -2.253 -2.968 307 HG2 MET 46 1HG MET 46 9.842 -0.777 -4.982 308 HG3 MET 46 2HG MET 46 9.672 0.602 -3.898 309 HE1 MET 46 1HE MET 46 11.644 1.618 -2.473 310 HE2 MET 46 2HE MET 46 11.288 0.204 -1.481 311 HE3 MET 46 3HE MET 46 12.959 0.601 -1.883 312 H LEU 47 H LEU 47 7.106 -3.429 -4.756 313 HA LEU 47 HA LEU 47 7.070 -5.384 -2.614 314 HB2 LEU 47 1HB LEU 47 4.815 -4.205 -2.691 315 HB3 LEU 47 2HB LEU 47 4.583 -4.986 -4.254 316 HG LEU 47 HG LEU 47 4.767 -7.185 -3.149 317 HD11 LEU 47 1HD1 LEU 47 5.739 -5.603 -0.992 318 HD12 LEU 47 2HD1 LEU 47 5.647 -7.359 -1.125 319 HD13 LEU 47 3HD1 LEU 47 4.286 -6.453 -0.463 320 HD21 LEU 47 1HD2 LEU 47 2.682 -5.299 -2.060 321 HD22 LEU 47 2HD2 LEU 47 2.602 -7.057 -1.937 322 HD23 LEU 47 3HD2 LEU 47 2.573 -6.281 -3.521 323 H HIS 48 H HIS 48 7.631 -7.355 -3.327 324 HA HIS 48 HA HIS 48 8.255 -9.039 -4.723 325 HB2 HIS 48 1HB HIS 48 5.973 -7.788 -6.167 326 HB3 HIS 48 2HB HIS 48 6.986 -8.910 -7.070 327 HD1 HIS 48 1HD HIS 48 5.934 -11.135 -7.092 328 HD2 HIS 48 2HD HIS 48 5.365 -9.208 -3.456 329 HE1 HIS 48 1HE HIS 48 4.650 -12.759 -5.664 330 HE2 HIS 48 2HE HIS 48 4.244 -11.538 -3.499 331 H GLY 49 H GLY 49 9.777 -6.614 -4.677 332 HA2 GLY 49 1HA GLY 49 11.579 -5.700 -5.766 333 HA3 GLY 49 2HA GLY 49 11.505 -7.078 -6.854 334 H HIS 50 H HIS 50 8.704 -5.084 -6.563 335 HA HIS 50 HA HIS 50 9.420 -3.521 -8.925 336 HB2 HIS 50 1HB HIS 50 8.358 -5.163 -10.136 337 HB3 HIS 50 2HB HIS 50 7.305 -5.618 -8.800 338 HD1 HIS 50 1HD HIS 50 7.661 -2.969 -11.468 339 HD2 HIS 50 2HD HIS 50 4.819 -4.456 -8.828 340 HE1 HIS 50 1HE HIS 50 5.497 -1.865 -12.118 341 HE2 HIS 50 2HE HIS 50 3.809 -2.715 -10.453 342 H SER 51 H SER 51 8.594 -1.506 -8.904 343 HA SER 51 HA SER 51 6.990 -0.750 -6.591 344 HB2 SER 51 1HB SER 51 9.127 0.470 -7.457 345 HB3 SER 51 2HB SER 51 8.030 1.192 -8.634 346 HG SER 51 HG SER 51 8.324 2.387 -6.622 347 H GLY 52 H GLY 52 4.853 -0.754 -6.770 348 HA2 GLY 52 1HA GLY 52 3.644 0.379 -9.193 349 HA3 GLY 52 2HA GLY 52 3.147 -1.228 -8.685 350 H PHE 53 H PHE 53 1.164 0.479 -8.884 351 HA PHE 53 HA PHE 53 0.716 1.746 -6.291 352 HB2 PHE 53 1HB PHE 53 -1.322 1.781 -8.476 353 HB3 PHE 53 2HB PHE 53 -0.924 3.027 -7.297 354 HD1 PHE 53 2HD PHE 53 1.736 3.724 -7.565 355 HD2 PHE 53 1HD PHE 53 -0.892 2.385 -10.634 356 HE1 PHE 53 2HE PHE 53 3.119 4.870 -9.245 357 HE2 PHE 53 1HE PHE 53 0.488 3.529 -12.319 358 HZ PHE 53 HZ PHE 53 2.496 4.775 -11.626 359 H PHE 54 H PHE 54 -0.826 1.113 -4.847 360 HA PHE 54 HA PHE 54 -2.425 -1.261 -5.522 361 HB2 PHE 54 1HB PHE 54 -1.991 -2.187 -3.290 362 HB3 PHE 54 2HB PHE 54 -0.494 -1.987 -4.195 363 HD1 PHE 54 1HD PHE 54 0.758 0.280 -3.782 364 HD2 PHE 54 2HD PHE 54 -2.090 -1.432 -1.122 365 HE1 PHE 54 1HE PHE 54 1.704 1.594 -1.929 366 HE2 PHE 54 2HE PHE 54 -1.150 -0.121 0.735 367 HZ PHE 54 HZ PHE 54 0.749 1.395 0.333 368 HA PRO 55 HA PRO 55 -5.847 0.904 -3.829 369 HB2 PRO 55 1HB PRO 55 -7.341 -1.155 -2.880 370 HB3 PRO 55 2HB PRO 55 -7.159 -0.815 -4.605 371 HG2 PRO 55 1HG PRO 55 -5.741 -2.836 -2.913 372 HG3 PRO 55 2HG PRO 55 -6.412 -3.016 -4.545 373 HD2 PRO 55 1HD PRO 55 -3.772 -2.621 -4.091 374 HD3 PRO 55 2HD PRO 55 -4.594 -2.007 -5.540 375 H ILE 56 H ILE 56 -6.492 1.835 -1.944 376 HA ILE 56 HA ILE 56 -5.078 1.021 0.477 377 HB ILE 56 HB ILE 56 -6.827 3.453 0.192 378 HG12 ILE 56 1HG1 ILE 56 -3.869 3.270 -0.419 379 HG13 ILE 56 2HG1 ILE 56 -5.136 3.408 -1.633 380 HG21 ILE 56 1HG2 ILE 56 -4.457 2.856 1.959 381 HG22 ILE 56 2HG2 ILE 56 -5.425 4.329 1.976 382 HG23 ILE 56 3HG2 ILE 56 -6.149 2.793 2.453 383 HD11 ILE 56 1HD1 ILE 56 -5.200 5.608 -1.406 384 HD12 ILE 56 2HD1 ILE 56 -5.370 5.486 0.346 385 HD13 ILE 56 3HD1 ILE 56 -3.766 5.474 -0.389 386 H ASN 57 H ASN 57 -8.134 0.705 -0.950 387 HA ASN 57 HA ASN 57 -9.630 0.566 1.518 388 HB2 ASN 57 1HB ASN 57 -11.427 -0.350 -0.114 389 HB3 ASN 57 2HB ASN 57 -10.947 1.339 -0.250 390 HD21 ASN 57 1HD2 ASN 57 -11.517 1.511 -2.388 391 HD22 ASN 57 2HD2 ASN 57 -10.644 0.731 -3.658 392 H TYR 58 H TYR 58 -7.361 -1.372 0.408 393 HA TYR 58 HA TYR 58 -8.698 -3.794 1.407 394 HB2 TYR 58 1HB TYR 58 -6.879 -3.572 -0.996 395 HB3 TYR 58 2HB TYR 58 -7.306 -5.102 -0.238 396 HD1 TYR 58 2HD TYR 58 -10.108 -4.954 0.287 397 HD2 TYR 58 1HD TYR 58 -7.954 -3.379 -3.027 398 HE1 TYR 58 2HE TYR 58 -12.146 -5.068 -1.084 399 HE2 TYR 58 1HE TYR 58 -9.987 -3.488 -4.407 400 HH TYR 58 HH TYR 58 -12.616 -5.260 -3.671 401 H VAL 59 H VAL 59 -6.776 -1.699 2.484 402 HA VAL 59 HA VAL 59 -5.001 -3.597 3.783 403 HB VAL 59 HB VAL 59 -2.978 -2.293 3.384 404 HG11 VAL 59 1HG1 VAL 59 -2.704 -2.791 0.954 405 HG12 VAL 59 2HG1 VAL 59 -3.350 -4.134 1.899 406 HG13 VAL 59 3HG1 VAL 59 -4.425 -3.166 0.889 407 HG21 VAL 59 1HG2 VAL 59 -4.228 -0.129 3.020 408 HG22 VAL 59 2HG2 VAL 59 -2.877 -0.428 1.927 409 HG23 VAL 59 3HG2 VAL 59 -4.532 -0.681 1.373 410 H GLU 60 H GLU 60 -4.425 -2.997 5.834 411 HA GLU 60 HA GLU 60 -5.912 -0.818 6.992 412 HB2 GLU 60 1HB GLU 60 -4.282 -3.085 8.015 413 HB3 GLU 60 2HB GLU 60 -4.459 -1.683 9.060 414 HG2 GLU 60 1HG GLU 60 -6.586 -3.513 8.013 415 HG3 GLU 60 2HG GLU 60 -6.176 -3.138 9.686 416 H ILE 61 H ILE 61 -5.082 1.000 8.019 417 HA ILE 61 HA ILE 61 -2.349 1.720 7.203 418 HB ILE 61 HB ILE 61 -4.618 3.560 7.969 419 HG12 ILE 61 1HG1 ILE 61 -5.083 2.437 5.855 420 HG13 ILE 61 2HG1 ILE 61 -4.680 4.125 5.563 421 HG21 ILE 61 1HG2 ILE 61 -3.170 5.333 7.094 422 HG22 ILE 61 2HG2 ILE 61 -2.430 4.501 8.460 423 HG23 ILE 61 3HG2 ILE 61 -1.894 4.148 6.817 424 HD11 ILE 61 1HD1 ILE 61 -2.392 3.433 4.961 425 HD12 ILE 61 2HD1 ILE 61 -2.882 1.750 5.158 426 HD13 ILE 61 3HD1 ILE 61 -3.628 2.745 3.908 427 H LEU 62 H LEU 62 -1.160 0.956 8.916 428 HA LEU 62 HA LEU 62 -1.924 1.548 11.638 429 HB2 LEU 62 1HB LEU 62 0.734 0.476 10.752 430 HB3 LEU 62 2HB LEU 62 -0.082 0.250 12.298 431 HG LEU 62 HG LEU 62 -1.073 -0.927 9.707 432 HD11 LEU 62 1HD1 LEU 62 1.102 -1.765 11.459 433 HD12 LEU 62 2HD1 LEU 62 0.690 -2.290 9.827 434 HD13 LEU 62 3HD1 LEU 62 -0.127 -3.007 11.216 435 HD21 LEU 62 1HD2 LEU 62 -2.442 -0.546 11.988 436 HD22 LEU 62 2HD2 LEU 62 -1.693 -2.103 12.342 437 HD23 LEU 62 3HD2 LEU 62 -2.707 -1.917 10.910 438 H VAL 63 H VAL 63 0.517 2.631 9.324 439 HA VAL 63 HA VAL 63 1.199 4.823 11.176 440 HB VAL 63 HB VAL 63 2.910 3.396 9.150 441 HG11 VAL 63 1HG1 VAL 63 3.555 5.555 8.681 442 HG12 VAL 63 2HG1 VAL 63 3.212 6.127 10.315 443 HG13 VAL 63 3HG1 VAL 63 4.648 5.151 10.004 444 HG21 VAL 63 1HG2 VAL 63 4.055 2.556 10.906 445 HG22 VAL 63 2HG2 VAL 63 3.865 4.020 11.870 446 HG23 VAL 63 3HG2 VAL 63 2.543 2.858 11.763 447 H ALA 64 H ALA 64 0.589 6.779 10.550 448 HA ALA 64 HA ALA 64 -0.493 7.219 7.921 449 HB1 ALA 64 1HB ALA 64 -0.549 8.566 10.492 450 HB2 ALA 64 2HB ALA 64 -0.351 9.689 9.146 451 HB3 ALA 64 3HB ALA 64 -1.726 8.585 9.178 452 H LEU 65 H LEU 65 0.525 8.022 6.203 453 HA LEU 65 HA LEU 65 3.242 8.327 5.979 454 HB2 LEU 65 1HB LEU 65 0.931 9.368 4.414 455 HB3 LEU 65 2HB LEU 65 2.549 9.951 4.027 456 HG LEU 65 HG LEU 65 2.023 7.010 4.140 457 HD11 LEU 65 1HD1 LEU 65 1.274 6.946 1.895 458 HD12 LEU 65 2HD1 LEU 65 1.550 8.674 1.679 459 HD13 LEU 65 3HD1 LEU 65 0.251 8.114 2.733 460 HD21 LEU 65 1HD2 LEU 65 3.925 8.815 2.660 461 HD22 LEU 65 2HD2 LEU 65 3.755 7.092 2.320 462 HD23 LEU 65 3HD2 LEU 65 4.305 7.629 3.908 463 HA PRO 66 HA PRO 66 4.415 12.169 7.747 464 HB2 PRO 66 1HB PRO 66 6.339 13.009 6.025 465 HB3 PRO 66 2HB PRO 66 6.574 11.663 7.147 466 HG2 PRO 66 1HG PRO 66 5.890 11.602 4.234 467 HG3 PRO 66 2HG PRO 66 7.042 10.599 5.134 468 HD2 PRO 66 1HD PRO 66 4.569 9.728 4.458 469 HD3 PRO 66 2HD PRO 66 5.392 9.208 5.943 470 H HIS 67 H HIS 67 4.338 14.457 7.507 471 HA HIS 67 HA HIS 67 2.207 15.558 6.265 472 HB2 HIS 67 1HB HIS 67 4.855 16.994 6.523 473 HB3 HIS 67 2HB HIS 67 3.252 17.723 6.488 474 HD1 HIS 67 1HD HIS 67 5.742 16.267 8.757 475 HD2 HIS 67 2HD HIS 67 1.703 17.232 8.873 476 HE1 HIS 67 1HE HIS 67 5.118 16.257 11.193 477 HE2 HIS 67 2HE HIS 67 2.650 16.760 11.233 478 H SER 68 H SER 68 1.625 16.273 4.283 479 HA SER 68 HA SER 68 2.701 15.229 1.984 480 HB2 SER 68 1HB SER 68 1.144 17.802 2.322 481 HB3 SER 68 2HB SER 68 1.450 17.023 0.770 482 HG SER 68 HG SER 68 -0.230 15.851 1.184 483 H GLY 69 H GLY 69 3.471 16.712 0.073 484 HA2 GLY 69 1HA GLY 69 5.422 18.700 0.964 485 HA3 GLY 69 2HA GLY 69 6.048 17.274 0.149 486 HA PRO 70 HA PRO 70 4.336 20.669 -2.809 487 HB2 PRO 70 1HB PRO 70 6.534 22.224 -3.157 488 HB3 PRO 70 2HB PRO 70 5.302 22.560 -1.934 489 HG2 PRO 70 1HG PRO 70 7.961 21.218 -1.627 490 HG3 PRO 70 2HG PRO 70 7.190 22.427 -0.583 491 HD2 PRO 70 1HD PRO 70 7.185 19.783 0.001 492 HD3 PRO 70 2HD PRO 70 5.850 20.863 0.453 493 H SER 71 H SER 71 6.996 18.562 -2.510 494 HA SER 71 HA SER 71 8.504 18.628 -4.705 495 HB2 SER 71 1HB SER 71 8.684 16.242 -4.657 496 HB3 SER 71 2HB SER 71 8.402 16.763 -2.996 497 HG SER 71 HG SER 71 7.098 14.930 -3.966 498 H SER 72 H SER 72 5.264 17.137 -4.734 499 HA SER 72 HA SER 72 4.992 17.939 -7.540 500 HB2 SER 72 1HB SER 72 4.122 15.752 -8.173 501 HB3 SER 72 2HB SER 72 5.743 15.574 -7.500 502 HG SER 72 HG SER 72 3.560 15.363 -5.768 503 H GLY 73 H GLY 73 2.896 18.376 -8.207 504 HA2 GLY 73 1HA GLY 73 0.767 18.064 -6.200 505 HA3 GLY 73 2HA GLY 73 1.086 19.654 -6.878 Start of MODEL 19 1 H1 GLY 1 H GLY 1 17.240 -8.411 18.274 2 HA2 GLY 1 1HA GLY 1 16.037 -6.327 19.384 3 HA3 GLY 1 2HA GLY 1 17.703 -5.767 19.421 4 H SER 2 H SER 2 15.257 -4.843 17.939 5 HA SER 2 HA SER 2 15.817 -5.368 15.166 6 HB2 SER 2 1HB SER 2 13.515 -4.939 15.956 7 HB3 SER 2 2HB SER 2 13.986 -3.303 16.415 8 HG SER 2 HG SER 2 14.722 -3.355 14.007 9 H SER 3 H SER 3 17.356 -4.413 14.030 10 HA SER 3 HA SER 3 19.228 -2.662 14.760 11 HB2 SER 3 1HB SER 3 17.836 -2.775 12.079 12 HB3 SER 3 2HB SER 3 19.310 -1.851 12.364 13 HG SER 3 HG SER 3 19.292 -4.521 13.161 14 H GLY 4 H GLY 4 16.312 -1.499 13.053 15 HA2 GLY 4 1HA GLY 4 16.278 0.848 14.803 16 HA3 GLY 4 2HA GLY 4 16.453 1.125 13.077 17 H SER 5 H SER 5 14.519 2.206 12.826 18 HA SER 5 HA SER 5 12.106 0.553 13.184 19 HB2 SER 5 1HB SER 5 12.495 3.504 13.673 20 HB3 SER 5 2HB SER 5 10.897 2.799 13.428 21 HG SER 5 HG SER 5 11.842 1.258 15.185 22 H SER 6 H SER 6 10.862 0.268 11.437 23 HA SER 6 HA SER 6 11.764 1.296 8.907 24 HB2 SER 6 1HB SER 6 9.608 -0.609 9.771 25 HB3 SER 6 2HB SER 6 9.637 0.008 8.119 26 HG SER 6 HG SER 6 11.558 -0.975 7.773 27 H GLY 7 H GLY 7 10.486 2.501 7.413 28 HA2 GLY 7 1HA GLY 7 9.131 4.698 8.603 29 HA3 GLY 7 2HA GLY 7 9.263 4.374 6.881 30 HA PRO 8 HA PRO 8 4.813 3.923 7.969 31 HB2 PRO 8 1HB PRO 8 3.915 5.090 5.688 32 HB3 PRO 8 2HB PRO 8 4.373 6.014 7.124 33 HG2 PRO 8 1HG PRO 8 5.946 5.481 4.633 34 HG3 PRO 8 2HG PRO 8 5.777 6.990 5.548 35 HD2 PRO 8 1HD PRO 8 7.947 5.386 5.771 36 HD3 PRO 8 2HD PRO 8 7.333 6.354 7.126 37 H CYS 9 H CYS 9 3.893 2.019 7.572 38 HA CYS 9 HA CYS 9 3.979 0.913 4.865 39 HB2 CYS 9 1HB CYS 9 4.760 -0.620 7.354 40 HB3 CYS 9 2HB CYS 9 4.516 -1.338 5.766 41 HG CYS 9 HG CYS 9 7.282 -0.412 6.953 42 H CYS 10 H CYS 10 2.516 -1.098 4.760 43 HA CYS 10 HA CYS 10 0.262 -0.939 6.612 44 HB2 CYS 10 1HB CYS 10 -1.358 -0.848 4.746 45 HB3 CYS 10 2HB CYS 10 -0.353 0.594 4.826 46 HG CYS 10 HG CYS 10 0.204 0.507 2.329 47 H ARG 11 H ARG 11 -1.331 -2.729 6.195 48 HA ARG 11 HA ARG 11 0.061 -5.119 5.177 49 HB2 ARG 11 1HB ARG 11 -0.030 -5.245 7.583 50 HB3 ARG 11 2HB ARG 11 -1.745 -4.853 7.583 51 HG2 ARG 11 1HG ARG 11 -2.162 -6.978 6.356 52 HG3 ARG 11 2HG ARG 11 -0.456 -7.375 6.572 53 HD2 ARG 11 1HD ARG 11 -2.494 -6.913 8.746 54 HD3 ARG 11 2HD ARG 11 -1.777 -8.456 8.286 55 HE ARG 11 HE ARG 11 0.240 -6.608 9.004 56 HH11 ARG 11 2HH1 ARG 11 -2.252 -8.613 10.379 57 HH12 ARG 11 1HH1 ARG 11 -1.447 -8.796 11.902 58 HH21 ARG 11 2HH2 ARG 11 1.310 -6.841 11.005 59 HH22 ARG 11 1HH2 ARG 11 0.579 -7.787 12.257 60 H ALA 12 H ALA 12 -1.213 -6.721 4.178 61 HA ALA 12 HA ALA 12 -3.547 -5.665 2.831 62 HB1 ALA 12 1HB ALA 12 -3.221 -7.273 1.253 63 HB2 ALA 12 2HB ALA 12 -1.586 -7.192 1.911 64 HB3 ALA 12 3HB ALA 12 -2.681 -8.475 2.427 65 H LEU 13 H LEU 13 -5.586 -6.754 2.746 66 HA LEU 13 HA LEU 13 -6.156 -8.342 5.163 67 HB2 LEU 13 1HB LEU 13 -7.864 -6.322 3.724 68 HB3 LEU 13 2HB LEU 13 -8.478 -7.408 4.969 69 HG LEU 13 HG LEU 13 -6.332 -5.328 5.388 70 HD11 LEU 13 1HD1 LEU 13 -9.102 -4.985 5.129 71 HD12 LEU 13 2HD1 LEU 13 -7.923 -3.826 5.742 72 HD13 LEU 13 3HD1 LEU 13 -8.758 -4.907 6.857 73 HD21 LEU 13 1HD2 LEU 13 -7.827 -7.065 7.350 74 HD22 LEU 13 2HD2 LEU 13 -6.648 -5.816 7.754 75 HD23 LEU 13 3HD2 LEU 13 -6.139 -7.259 6.877 76 H TYR 14 H TYR 14 -6.990 -7.816 1.767 77 HA TYR 14 HA TYR 14 -7.923 -10.606 1.654 78 HB2 TYR 14 1HB TYR 14 -9.157 -8.193 0.317 79 HB3 TYR 14 2HB TYR 14 -9.563 -9.854 -0.099 80 HD1 TYR 14 1HD TYR 14 -9.557 -7.435 2.724 81 HD2 TYR 14 2HD TYR 14 -11.193 -11.019 1.116 82 HE1 TYR 14 1HE TYR 14 -11.240 -7.465 4.517 83 HE2 TYR 14 2HE TYR 14 -12.880 -11.058 2.905 84 HH TYR 14 HH TYR 14 -13.963 -9.497 4.449 85 H ASP 15 H ASP 15 -8.254 -11.034 -0.934 86 HA ASP 15 HA ASP 15 -5.562 -10.670 -2.018 87 HB2 ASP 15 1HB ASP 15 -6.497 -12.394 -3.734 88 HB3 ASP 15 2HB ASP 15 -6.093 -12.934 -2.107 89 H PHE 16 H PHE 16 -5.141 -9.717 -3.971 90 HA PHE 16 HA PHE 16 -7.413 -8.364 -5.271 91 HB2 PHE 16 1HB PHE 16 -6.065 -6.694 -4.209 92 HB3 PHE 16 2HB PHE 16 -4.583 -7.407 -4.837 93 HD1 PHE 16 2HD PHE 16 -7.766 -6.659 -6.602 94 HD2 PHE 16 1HD PHE 16 -3.635 -5.742 -6.141 95 HE1 PHE 16 2HE PHE 16 -7.882 -5.168 -8.555 96 HE2 PHE 16 1HE PHE 16 -3.745 -4.249 -8.093 97 HZ PHE 16 HZ PHE 16 -5.870 -3.961 -9.304 98 H GLU 17 H GLU 17 -7.599 -8.485 -7.455 99 HA GLU 17 HA GLU 17 -5.662 -10.220 -8.830 100 HB2 GLU 17 1HB GLU 17 -8.022 -11.011 -8.713 101 HB3 GLU 17 2HB GLU 17 -8.509 -9.589 -9.625 102 HG2 GLU 17 1HG GLU 17 -8.378 -11.408 -11.140 103 HG3 GLU 17 2HG GLU 17 -7.011 -10.344 -11.467 104 HA PRO 18 HA PRO 18 -4.697 -6.200 -10.735 105 HB2 PRO 18 1HB PRO 18 -2.193 -6.929 -11.488 106 HB3 PRO 18 2HB PRO 18 -2.579 -6.363 -9.859 107 HG2 PRO 18 1HG PRO 18 -2.240 -9.164 -10.860 108 HG3 PRO 18 2HG PRO 18 -1.645 -8.432 -9.358 109 HD2 PRO 18 1HD PRO 18 -3.854 -9.996 -9.441 110 HD3 PRO 18 2HD PRO 18 -3.680 -8.649 -8.298 111 H GLU 19 H GLU 19 -5.038 -5.644 -12.807 112 HA GLU 19 HA GLU 19 -4.766 -7.729 -14.870 113 HB2 GLU 19 1HB GLU 19 -6.763 -6.939 -15.960 114 HB3 GLU 19 2HB GLU 19 -7.145 -7.297 -14.282 115 HG2 GLU 19 1HG GLU 19 -6.655 -4.750 -13.943 116 HG3 GLU 19 2HG GLU 19 -6.987 -4.672 -15.672 117 H ASN 20 H ASN 20 -4.556 -4.338 -14.024 118 HA ASN 20 HA ASN 20 -3.821 -3.406 -16.611 119 HB2 ASN 20 1HB ASN 20 -3.398 -2.187 -13.874 120 HB3 ASN 20 2HB ASN 20 -3.098 -1.353 -15.396 121 HD21 ASN 20 1HD2 ASN 20 -5.000 -1.342 -16.917 122 HD22 ASN 20 2HD2 ASN 20 -6.551 -1.044 -16.216 123 H GLU 21 H GLU 21 -1.603 -2.035 -16.592 124 HA GLU 21 HA GLU 21 0.463 -4.063 -16.435 125 HB2 GLU 21 1HB GLU 21 0.603 -1.212 -17.432 126 HB3 GLU 21 2HB GLU 21 1.859 -2.427 -17.617 127 HG2 GLU 21 1HG GLU 21 -0.911 -2.677 -18.761 128 HG3 GLU 21 2HG GLU 21 0.479 -2.053 -19.647 129 H GLY 22 H GLY 22 -0.007 -0.750 -15.202 130 HA2 GLY 22 1HA GLY 22 2.241 -1.089 -13.378 131 HA3 GLY 22 2HA GLY 22 1.317 0.384 -13.631 132 H GLU 23 H GLU 23 0.552 -2.937 -12.571 133 HA GLU 23 HA GLU 23 -0.937 -1.753 -10.323 134 HB2 GLU 23 1HB GLU 23 -2.088 -4.047 -10.302 135 HB3 GLU 23 2HB GLU 23 -2.501 -2.938 -11.601 136 HG2 GLU 23 1HG GLU 23 -2.227 -5.176 -12.459 137 HG3 GLU 23 2HG GLU 23 -0.967 -4.120 -13.094 138 H LEU 24 H LEU 24 -0.955 -3.003 -8.312 139 HA LEU 24 HA LEU 24 1.483 -4.610 -7.939 140 HB2 LEU 24 1HB LEU 24 1.736 -2.285 -7.085 141 HB3 LEU 24 2HB LEU 24 0.400 -2.594 -5.978 142 HG LEU 24 HG LEU 24 1.813 -4.463 -5.011 143 HD11 LEU 24 1HD1 LEU 24 4.316 -3.970 -5.364 144 HD12 LEU 24 2HD1 LEU 24 3.796 -3.184 -6.854 145 HD13 LEU 24 3HD1 LEU 24 3.455 -4.894 -6.595 146 HD21 LEU 24 1HD2 LEU 24 3.357 -2.747 -3.847 147 HD22 LEU 24 2HD2 LEU 24 1.610 -2.589 -3.658 148 HD23 LEU 24 3HD2 LEU 24 2.473 -1.551 -4.794 149 H GLY 25 H GLY 25 0.234 -6.513 -8.045 150 HA2 GLY 25 1HA GLY 25 -2.080 -6.981 -6.495 151 HA3 GLY 25 2HA GLY 25 -1.057 -8.218 -7.210 152 H PHE 26 H PHE 26 -2.318 -7.288 -4.391 153 HA PHE 26 HA PHE 26 0.046 -8.057 -2.816 154 HB2 PHE 26 1HB PHE 26 -1.214 -7.061 -0.880 155 HB3 PHE 26 2HB PHE 26 -0.760 -5.906 -2.129 156 HD1 PHE 26 1HD PHE 26 -3.615 -8.189 -1.363 157 HD2 PHE 26 2HD PHE 26 -2.340 -4.353 -2.695 158 HE1 PHE 26 1HE PHE 26 -5.963 -7.478 -1.551 159 HE2 PHE 26 2HE PHE 26 -4.686 -3.636 -2.884 160 HZ PHE 26 HZ PHE 26 -6.501 -5.198 -2.311 161 H LYS 27 H LYS 27 -0.763 -9.082 -0.607 162 HA LYS 27 HA LYS 27 -2.935 -10.977 -1.045 163 HB2 LYS 27 1HB LYS 27 -0.046 -11.694 -0.834 164 HB3 LYS 27 2HB LYS 27 -1.225 -12.754 -0.073 165 HG2 LYS 27 1HG LYS 27 -1.417 -11.922 -2.952 166 HG3 LYS 27 2HG LYS 27 -0.523 -13.348 -2.423 167 HD2 LYS 27 1HD LYS 27 -3.393 -12.912 -1.653 168 HD3 LYS 27 2HD LYS 27 -2.951 -13.669 -3.185 169 HE2 LYS 27 1HE LYS 27 -3.200 -15.506 -1.817 170 HE3 LYS 27 2HE LYS 27 -1.469 -15.198 -1.680 171 HZ1 LYS 27 1HZ LYS 27 -3.234 -15.412 0.388 172 HZ2 LYS 27 2HZ LYS 27 -2.988 -13.744 0.256 173 HZ3 LYS 27 3HZ LYS 27 -1.668 -14.778 0.480 174 H GLU 28 H GLU 28 -4.078 -11.302 0.760 175 HA GLU 28 HA GLU 28 -4.021 -9.867 3.005 176 HB2 GLU 28 1HB GLU 28 -5.724 -11.583 2.509 177 HB3 GLU 28 2HB GLU 28 -4.581 -12.838 2.966 178 HG2 GLU 28 1HG GLU 28 -5.248 -10.686 4.915 179 HG3 GLU 28 2HG GLU 28 -6.383 -12.009 4.652 180 H GLY 29 H GLY 29 -2.739 -9.523 4.704 181 HA2 GLY 29 1HA GLY 29 -1.306 -10.178 6.470 182 HA3 GLY 29 2HA GLY 29 -0.878 -11.617 5.556 183 H ASP 30 H ASP 30 -0.118 -10.551 3.142 184 HA ASP 30 HA ASP 30 2.533 -9.887 3.534 185 HB2 ASP 30 1HB ASP 30 0.688 -9.390 1.204 186 HB3 ASP 30 2HB ASP 30 2.396 -8.965 1.147 187 H ILE 31 H ILE 31 3.633 -8.081 3.991 188 HA ILE 31 HA ILE 31 2.110 -5.647 4.498 189 HB ILE 31 HB ILE 31 4.999 -6.273 5.119 190 HG12 ILE 31 1HG1 ILE 31 3.323 -7.680 6.330 191 HG13 ILE 31 2HG1 ILE 31 4.282 -6.654 7.390 192 HG21 ILE 31 1HG2 ILE 31 3.703 -4.198 6.683 193 HG22 ILE 31 2HG2 ILE 31 5.252 -4.179 5.840 194 HG23 ILE 31 3HG2 ILE 31 3.767 -3.808 4.964 195 HD11 ILE 31 1HD1 ILE 31 2.460 -5.704 8.202 196 HD12 ILE 31 2HD1 ILE 31 1.888 -5.295 6.584 197 HD13 ILE 31 3HD1 ILE 31 1.507 -6.868 7.283 198 H ILE 32 H ILE 32 2.347 -3.766 3.408 199 HA ILE 32 HA ILE 32 4.273 -3.742 1.176 200 HB ILE 32 HB ILE 32 1.535 -2.469 1.256 201 HG12 ILE 32 1HG1 ILE 32 2.376 -4.546 -0.723 202 HG13 ILE 32 2HG1 ILE 32 1.918 -5.059 0.897 203 HG21 ILE 32 1HG2 ILE 32 3.802 -2.302 -0.683 204 HG22 ILE 32 2HG2 ILE 32 2.139 -2.164 -1.253 205 HG23 ILE 32 3HG2 ILE 32 2.760 -1.021 -0.063 206 HD11 ILE 32 1HD1 ILE 32 0.252 -3.764 -1.214 207 HD12 ILE 32 2HD1 ILE 32 -0.053 -5.235 -0.288 208 HD13 ILE 32 3HD1 ILE 32 -0.206 -3.658 0.486 209 H THR 33 H THR 33 5.671 -2.102 1.110 210 HA THR 33 HA THR 33 5.734 -0.180 3.223 211 HB THR 33 HB THR 33 7.418 -0.261 0.713 212 HG1 THR 33 1HG THR 33 8.905 -1.177 2.500 213 HG21 THR 33 1HG2 THR 33 9.054 0.901 2.318 214 HG22 THR 33 2HG2 THR 33 7.634 1.232 3.311 215 HG23 THR 33 3HG2 THR 33 7.725 1.858 1.665 216 H LEU 34 H LEU 34 5.970 2.173 2.820 217 HA LEU 34 HA LEU 34 4.225 3.073 0.623 218 HB2 LEU 34 1HB LEU 34 4.370 4.122 3.445 219 HB3 LEU 34 2HB LEU 34 3.460 4.880 2.140 220 HG LEU 34 HG LEU 34 2.893 2.053 2.961 221 HD11 LEU 34 1HD1 LEU 34 2.361 4.507 4.482 222 HD12 LEU 34 2HD1 LEU 34 2.397 2.825 5.009 223 HD13 LEU 34 3HD1 LEU 34 0.958 3.470 4.219 224 HD21 LEU 34 1HD2 LEU 34 0.800 3.951 2.113 225 HD22 LEU 34 2HD2 LEU 34 1.037 2.255 1.692 226 HD23 LEU 34 3HD2 LEU 34 1.987 3.505 0.888 227 H THR 35 H THR 35 4.915 4.761 -0.574 228 HA THR 35 HA THR 35 7.342 6.174 0.316 229 HB THR 35 HB THR 35 8.176 6.207 -1.976 230 HG1 THR 35 1HG THR 35 6.175 4.355 -2.725 231 HG21 THR 35 1HG2 THR 35 9.101 4.116 -1.923 232 HG22 THR 35 2HG2 THR 35 7.560 3.324 -1.594 233 HG23 THR 35 3HG2 THR 35 8.415 4.161 -0.299 234 H ASN 36 H ASN 36 4.631 6.263 -1.991 235 HA ASN 36 HA ASN 36 4.055 8.994 -1.287 236 HB2 ASN 36 1HB ASN 36 5.338 8.290 -3.902 237 HB3 ASN 36 2HB ASN 36 4.167 9.604 -3.838 238 HD21 ASN 36 1HD2 ASN 36 7.257 9.205 -4.057 239 HD22 ASN 36 2HD2 ASN 36 7.862 10.460 -3.035 240 H GLN 37 H GLN 37 2.232 9.835 -2.808 241 HA GLN 37 HA GLN 37 0.446 7.598 -3.495 242 HB2 GLN 37 1HB GLN 37 -0.353 8.454 -1.409 243 HB3 GLN 37 2HB GLN 37 -0.214 10.116 -1.968 244 HG2 GLN 37 1HG GLN 37 -1.919 9.247 -3.798 245 HG3 GLN 37 2HG GLN 37 -2.303 8.092 -2.523 246 HE21 GLN 37 1HE2 GLN 37 -4.336 8.914 -2.154 247 HE22 GLN 37 2HE2 GLN 37 -4.606 10.450 -1.411 248 H ILE 38 H ILE 38 -0.326 7.678 -5.497 249 HA ILE 38 HA ILE 38 0.087 10.107 -7.066 250 HB ILE 38 HB ILE 38 -0.625 7.292 -7.887 251 HG12 ILE 38 1HG1 ILE 38 1.654 7.832 -9.174 252 HG13 ILE 38 2HG1 ILE 38 1.863 8.927 -7.811 253 HG21 ILE 38 1HG2 ILE 38 -1.709 8.487 -9.526 254 HG22 ILE 38 2HG2 ILE 38 -0.584 9.841 -9.435 255 HG23 ILE 38 3HG2 ILE 38 -0.096 8.341 -10.223 256 HD11 ILE 38 1HD1 ILE 38 2.533 6.264 -7.881 257 HD12 ILE 38 2HD1 ILE 38 2.369 7.260 -6.434 258 HD13 ILE 38 3HD1 ILE 38 1.012 6.279 -6.988 259 H ASP 39 H ASP 39 -2.499 7.824 -6.234 260 HA ASP 39 HA ASP 39 -4.466 9.741 -7.282 261 HB2 ASP 39 1HB ASP 39 -4.343 7.173 -7.910 262 HB3 ASP 39 2HB ASP 39 -5.234 6.991 -6.401 263 H GLU 40 H GLU 40 -6.656 9.486 -5.983 264 HA GLU 40 HA GLU 40 -6.036 10.362 -3.296 265 HB2 GLU 40 1HB GLU 40 -8.560 10.273 -4.934 266 HB3 GLU 40 2HB GLU 40 -8.586 10.680 -3.224 267 HG2 GLU 40 1HG GLU 40 -7.279 12.621 -3.570 268 HG3 GLU 40 2HG GLU 40 -6.889 12.145 -5.222 269 H ASN 41 H ASN 41 -6.936 7.463 -4.815 270 HA ASN 41 HA ASN 41 -7.573 6.275 -2.199 271 HB2 ASN 41 1HB ASN 41 -9.041 6.049 -4.783 272 HB3 ASN 41 2HB ASN 41 -8.944 4.614 -3.767 273 HD21 ASN 41 1HD2 ASN 41 -11.256 6.218 -4.486 274 HD22 ASN 41 2HD2 ASN 41 -11.944 6.766 -2.999 275 H TRP 42 H TRP 42 -5.215 6.483 -4.242 276 HA TRP 42 HA TRP 42 -4.510 3.630 -4.066 277 HB2 TRP 42 1HB TRP 42 -3.895 5.507 -6.360 278 HB3 TRP 42 2HB TRP 42 -3.280 3.863 -6.205 279 HD1 TRP 42 HD TRP 42 -6.716 5.650 -6.469 280 HE1 TRP 42 1HE TRP 42 -8.317 4.095 -7.750 281 HE3 TRP 42 3HE TRP 42 -3.634 1.613 -7.050 282 HZ2 TRP 42 2HZ TRP 42 -8.280 1.499 -8.858 283 HZ3 TRP 42 3HZ TRP 42 -4.494 -0.367 -8.232 284 HH2 TRP 42 HH TRP 42 -6.769 -0.421 -9.116 285 H TYR 43 H TYR 43 -2.353 3.153 -3.620 286 HA TYR 43 HA TYR 43 -0.764 5.446 -2.673 287 HB2 TYR 43 1HB TYR 43 -1.243 2.730 -1.560 288 HB3 TYR 43 2HB TYR 43 0.361 3.419 -1.340 289 HD1 TYR 43 2HD TYR 43 -0.227 6.259 -0.927 290 HD2 TYR 43 1HD TYR 43 -2.260 2.817 0.528 291 HE1 TYR 43 2HE TYR 43 -1.045 7.561 0.993 292 HE2 TYR 43 1HE TYR 43 -3.086 4.110 2.451 293 HH TYR 43 HH TYR 43 -2.954 7.466 2.601 294 H GLU 44 H GLU 44 1.676 4.582 -2.416 295 HA GLU 44 HA GLU 44 2.477 3.070 -4.779 296 HB2 GLU 44 1HB GLU 44 2.351 5.557 -5.333 297 HB3 GLU 44 2HB GLU 44 3.700 5.769 -4.225 298 HG2 GLU 44 1HG GLU 44 4.890 4.000 -5.645 299 HG3 GLU 44 2HG GLU 44 3.631 4.314 -6.839 300 H GLY 45 H GLY 45 3.749 1.533 -3.987 301 HA2 GLY 45 1HA GLY 45 6.010 2.283 -2.310 302 HA3 GLY 45 2HA GLY 45 4.859 1.164 -1.594 303 H MET 46 H MET 46 7.102 0.021 -1.599 304 HA MET 46 HA MET 46 7.415 -1.465 -4.120 305 HB2 MET 46 1HB MET 46 9.319 -0.621 -1.994 306 HB3 MET 46 2HB MET 46 9.629 -2.154 -2.798 307 HG2 MET 46 1HG MET 46 9.597 -0.999 -4.967 308 HG3 MET 46 2HG MET 46 9.355 0.531 -4.127 309 HE1 MET 46 1HE MET 46 11.558 0.103 -1.514 310 HE2 MET 46 2HE MET 46 12.614 1.240 -2.353 311 HE3 MET 46 3HE MET 46 10.864 1.459 -2.403 312 H LEU 47 H LEU 47 7.342 -3.680 -4.141 313 HA LEU 47 HA LEU 47 7.103 -5.156 -1.654 314 HB2 LEU 47 1HB LEU 47 4.827 -4.537 -1.939 315 HB3 LEU 47 2HB LEU 47 4.870 -4.931 -3.657 316 HG LEU 47 HG LEU 47 5.198 -7.340 -2.973 317 HD11 LEU 47 1HD1 LEU 47 3.950 -7.032 -0.401 318 HD12 LEU 47 2HD1 LEU 47 5.504 -6.200 -0.442 319 HD13 LEU 47 3HD1 LEU 47 5.412 -7.915 -0.842 320 HD21 LEU 47 1HD2 LEU 47 3.078 -7.091 -3.711 321 HD22 LEU 47 2HD2 LEU 47 2.762 -5.701 -2.672 322 HD23 LEU 47 3HD2 LEU 47 2.693 -7.333 -2.007 323 H HIS 48 H HIS 48 8.428 -6.817 -1.912 324 HA HIS 48 HA HIS 48 9.579 -8.553 -2.826 325 HB2 HIS 48 1HB HIS 48 6.997 -8.631 -4.352 326 HB3 HIS 48 2HB HIS 48 8.302 -9.737 -4.771 327 HD1 HIS 48 1HD HIS 48 9.287 -10.906 -2.319 328 HD2 HIS 48 2HD HIS 48 5.283 -9.861 -2.684 329 HE1 HIS 48 1HE HIS 48 8.076 -12.271 -0.589 330 HE2 HIS 48 2HE HIS 48 5.644 -11.685 -0.887 331 H GLY 49 H GLY 49 10.232 -5.947 -3.739 332 HA2 GLY 49 1HA GLY 49 11.720 -5.076 -5.274 333 HA3 GLY 49 2HA GLY 49 11.738 -6.640 -6.076 334 H HIS 50 H HIS 50 8.671 -5.171 -5.549 335 HA HIS 50 HA HIS 50 8.592 -4.329 -8.372 336 HB2 HIS 50 1HB HIS 50 6.352 -5.589 -6.775 337 HB3 HIS 50 2HB HIS 50 6.245 -5.047 -8.447 338 HD1 HIS 50 1HD HIS 50 8.540 -6.276 -9.820 339 HD2 HIS 50 2HD HIS 50 6.488 -8.278 -6.813 340 HE1 HIS 50 1HE HIS 50 9.015 -8.718 -10.191 341 HE2 HIS 50 2HE HIS 50 7.695 -9.914 -8.412 342 H SER 51 H SER 51 7.782 -2.353 -8.809 343 HA SER 51 HA SER 51 6.756 -0.796 -6.528 344 HB2 SER 51 1HB SER 51 7.593 1.209 -7.771 345 HB3 SER 51 2HB SER 51 8.872 0.092 -7.294 346 HG SER 51 HG SER 51 9.375 0.196 -9.336 347 H GLY 52 H GLY 52 4.597 -0.765 -6.669 348 HA2 GLY 52 1HA GLY 52 3.408 0.339 -9.097 349 HA3 GLY 52 2HA GLY 52 2.847 -1.248 -8.593 350 H PHE 53 H PHE 53 0.928 0.522 -8.758 351 HA PHE 53 HA PHE 53 0.551 1.734 -6.117 352 HB2 PHE 53 1HB PHE 53 -1.438 2.071 -8.316 353 HB3 PHE 53 2HB PHE 53 -0.930 3.216 -7.078 354 HD1 PHE 53 2HD PHE 53 1.797 3.645 -7.311 355 HD2 PHE 53 1HD PHE 53 -0.950 2.753 -10.438 356 HE1 PHE 53 2HE PHE 53 3.295 4.732 -8.932 357 HE2 PHE 53 1HE PHE 53 0.545 3.838 -12.064 358 HZ PHE 53 HZ PHE 53 2.669 4.830 -11.312 359 H PHE 54 H PHE 54 -1.221 1.270 -4.821 360 HA PHE 54 HA PHE 54 -3.005 -0.891 -5.653 361 HB2 PHE 54 1HB PHE 54 -2.653 -1.949 -3.353 362 HB3 PHE 54 2HB PHE 54 -1.364 -2.168 -4.532 363 HD1 PHE 54 1HD PHE 54 0.680 -0.716 -4.376 364 HD2 PHE 54 2HD PHE 54 -2.250 -0.906 -1.294 365 HE1 PHE 54 1HE PHE 54 2.302 0.222 -2.781 366 HE2 PHE 54 2HE PHE 54 -0.634 0.033 0.305 367 HZ PHE 54 HZ PHE 54 1.645 0.599 -0.437 368 HA PRO 55 HA PRO 55 -6.091 1.453 -3.591 369 HB2 PRO 55 1HB PRO 55 -7.798 -0.508 -2.808 370 HB3 PRO 55 2HB PRO 55 -7.624 -0.002 -4.493 371 HG2 PRO 55 1HG PRO 55 -6.416 -2.352 -3.087 372 HG3 PRO 55 2HG PRO 55 -7.150 -2.269 -4.699 373 HD2 PRO 55 1HD PRO 55 -4.470 -2.241 -4.315 374 HD3 PRO 55 2HD PRO 55 -5.251 -1.377 -5.654 375 H ILE 56 H ILE 56 -6.875 2.053 -1.554 376 HA ILE 56 HA ILE 56 -5.318 0.996 0.684 377 HB ILE 56 HB ILE 56 -7.067 3.456 0.564 378 HG12 ILE 56 1HG1 ILE 56 -4.616 4.464 0.789 379 HG13 ILE 56 2HG1 ILE 56 -4.182 2.960 -0.016 380 HG21 ILE 56 1HG2 ILE 56 -6.981 3.096 2.804 381 HG22 ILE 56 2HG2 ILE 56 -5.489 2.162 2.709 382 HG23 ILE 56 3HG2 ILE 56 -5.435 3.922 2.616 383 HD11 ILE 56 1HD1 ILE 56 -6.410 4.435 -1.231 384 HD12 ILE 56 2HD1 ILE 56 -4.838 5.232 -1.296 385 HD13 ILE 56 3HD1 ILE 56 -5.038 3.619 -1.979 386 H ASN 57 H ASN 57 -8.444 0.825 -0.641 387 HA ASN 57 HA ASN 57 -9.848 0.347 1.824 388 HB2 ASN 57 1HB ASN 57 -10.664 -0.127 -1.051 389 HB3 ASN 57 2HB ASN 57 -11.735 -0.284 0.338 390 HD21 ASN 57 1HD2 ASN 57 -10.186 1.860 -1.842 391 HD22 ASN 57 2HD2 ASN 57 -10.896 3.323 -1.257 392 H TYR 58 H TYR 58 -7.515 -1.377 0.578 393 HA TYR 58 HA TYR 58 -8.794 -3.958 1.198 394 HB2 TYR 58 1HB TYR 58 -6.869 -3.239 -0.988 395 HB3 TYR 58 2HB TYR 58 -6.915 -4.881 -0.357 396 HD1 TYR 58 2HD TYR 58 -9.093 -6.161 -0.478 397 HD2 TYR 58 1HD TYR 58 -8.477 -2.490 -2.540 398 HE1 TYR 58 2HE TYR 58 -10.989 -6.680 -1.957 399 HE2 TYR 58 1HE TYR 58 -10.371 -2.999 -4.024 400 HH TYR 58 HH TYR 58 -12.073 -4.381 -4.429 401 H VAL 59 H VAL 59 -6.019 -1.874 1.514 402 HA VAL 59 HA VAL 59 -4.764 -3.813 3.341 403 HB VAL 59 HB VAL 59 -2.669 -2.718 2.991 404 HG11 VAL 59 1HG1 VAL 59 -2.823 -2.657 0.281 405 HG12 VAL 59 2HG1 VAL 59 -2.668 -4.129 1.242 406 HG13 VAL 59 3HG1 VAL 59 -4.257 -3.600 0.686 407 HG21 VAL 59 1HG2 VAL 59 -3.517 -0.412 2.934 408 HG22 VAL 59 2HG2 VAL 59 -2.404 -0.739 1.606 409 HG23 VAL 59 3HG2 VAL 59 -4.141 -0.692 1.309 410 H GLU 60 H GLU 60 -4.379 -3.288 5.433 411 HA GLU 60 HA GLU 60 -5.734 -0.959 6.479 412 HB2 GLU 60 1HB GLU 60 -5.642 -3.358 7.489 413 HB3 GLU 60 2HB GLU 60 -4.090 -2.843 8.137 414 HG2 GLU 60 1HG GLU 60 -5.026 -1.369 9.597 415 HG3 GLU 60 2HG GLU 60 -6.435 -1.081 8.578 416 H ILE 61 H ILE 61 -4.826 0.907 7.057 417 HA ILE 61 HA ILE 61 -1.947 1.209 6.746 418 HB ILE 61 HB ILE 61 -4.149 3.232 7.145 419 HG12 ILE 61 1HG1 ILE 61 -4.223 2.456 4.923 420 HG13 ILE 61 2HG1 ILE 61 -3.274 3.936 4.832 421 HG21 ILE 61 1HG2 ILE 61 -1.792 4.517 6.320 422 HG22 ILE 61 2HG2 ILE 61 -2.626 4.676 7.865 423 HG23 ILE 61 3HG2 ILE 61 -1.344 3.480 7.674 424 HD11 ILE 61 1HD1 ILE 61 -2.339 1.098 4.651 425 HD12 ILE 61 2HD1 ILE 61 -2.133 2.412 3.492 426 HD13 ILE 61 3HD1 ILE 61 -1.230 2.422 5.007 427 H LEU 62 H LEU 62 -0.725 0.788 8.462 428 HA LEU 62 HA LEU 62 -1.756 1.147 11.151 429 HB2 LEU 62 1HB LEU 62 1.005 0.269 10.342 430 HB3 LEU 62 2HB LEU 62 0.208 0.025 11.895 431 HG LEU 62 HG LEU 62 -0.992 -1.204 9.458 432 HD11 LEU 62 1HD1 LEU 62 1.692 -1.653 10.186 433 HD12 LEU 62 2HD1 LEU 62 0.710 -2.556 9.032 434 HD13 LEU 62 3HD1 LEU 62 0.772 -3.059 10.721 435 HD21 LEU 62 1HD2 LEU 62 -0.825 -1.876 12.386 436 HD22 LEU 62 2HD2 LEU 62 -1.458 -2.994 11.177 437 HD23 LEU 62 3HD2 LEU 62 -2.253 -1.442 11.446 438 H VAL 63 H VAL 63 0.762 2.501 9.073 439 HA VAL 63 HA VAL 63 1.132 4.660 11.047 440 HB VAL 63 HB VAL 63 3.109 3.570 9.041 441 HG11 VAL 63 1HG1 VAL 63 3.622 5.820 9.024 442 HG12 VAL 63 2HG1 VAL 63 3.117 6.056 10.698 443 HG13 VAL 63 3HG1 VAL 63 4.635 5.232 10.342 444 HG21 VAL 63 1HG2 VAL 63 2.517 2.615 11.519 445 HG22 VAL 63 2HG2 VAL 63 4.082 2.441 10.724 446 HG23 VAL 63 3HG2 VAL 63 3.820 3.746 11.881 447 H ALA 64 H ALA 64 0.042 6.401 10.411 448 HA ALA 64 HA ALA 64 -0.744 6.916 7.743 449 HB1 ALA 64 1HB ALA 64 -1.009 9.332 8.923 450 HB2 ALA 64 2HB ALA 64 -2.179 8.021 9.079 451 HB3 ALA 64 3HB ALA 64 -0.972 8.280 10.338 452 H LEU 65 H LEU 65 0.170 8.087 6.149 453 HA LEU 65 HA LEU 65 2.912 8.584 6.117 454 HB2 LEU 65 1HB LEU 65 0.635 9.517 4.412 455 HB3 LEU 65 2HB LEU 65 2.270 10.107 4.125 456 HG LEU 65 HG LEU 65 1.771 7.163 4.221 457 HD11 LEU 65 1HD1 LEU 65 1.673 7.942 1.531 458 HD12 LEU 65 2HD1 LEU 65 0.509 8.961 2.377 459 HD13 LEU 65 3HD1 LEU 65 0.389 7.205 2.489 460 HD21 LEU 65 1HD2 LEU 65 3.755 9.027 2.968 461 HD22 LEU 65 2HD2 LEU 65 3.558 7.376 2.378 462 HD23 LEU 65 3HD2 LEU 65 4.037 7.665 4.052 463 HA PRO 66 HA PRO 66 3.506 12.471 8.069 464 HB2 PRO 66 1HB PRO 66 5.505 13.527 6.565 465 HB3 PRO 66 2HB PRO 66 5.755 12.187 7.691 466 HG2 PRO 66 1HG PRO 66 5.382 12.121 4.722 467 HG3 PRO 66 2HG PRO 66 6.528 11.214 5.726 468 HD2 PRO 66 1HD PRO 66 4.233 10.125 4.788 469 HD3 PRO 66 2HD PRO 66 4.946 9.656 6.345 470 H HIS 67 H HIS 67 2.452 12.268 4.828 471 HA HIS 67 HA HIS 67 2.406 14.884 3.948 472 HB2 HIS 67 1HB HIS 67 0.920 14.184 2.337 473 HB3 HIS 67 2HB HIS 67 1.549 12.627 2.867 474 HD1 HIS 67 1HD HIS 67 -1.548 14.444 2.399 475 HD2 HIS 67 2HD HIS 67 -0.244 11.320 4.808 476 HE1 HIS 67 1HE HIS 67 -3.638 13.316 3.227 477 HE2 HIS 67 2HE HIS 67 -2.825 11.482 4.750 478 H SER 68 H SER 68 0.271 13.276 6.234 479 HA SER 68 HA SER 68 -1.359 15.685 6.501 480 HB2 SER 68 1HB SER 68 -2.763 14.272 7.997 481 HB3 SER 68 2HB SER 68 -2.576 13.587 6.382 482 HG SER 68 HG SER 68 -1.903 11.880 7.395 483 H GLY 69 H GLY 69 -1.621 16.794 8.460 484 HA2 GLY 69 1HA GLY 69 0.165 16.089 10.669 485 HA3 GLY 69 2HA GLY 69 0.400 17.655 9.906 486 HA PRO 70 HA PRO 70 -2.495 19.331 12.752 487 HB2 PRO 70 1HB PRO 70 -3.227 21.556 11.380 488 HB3 PRO 70 2HB PRO 70 -1.655 21.388 12.170 489 HG2 PRO 70 1HG PRO 70 -2.377 21.013 9.289 490 HG3 PRO 70 2HG PRO 70 -0.970 21.831 9.992 491 HD2 PRO 70 1HD PRO 70 -0.846 19.315 9.000 492 HD3 PRO 70 2HD PRO 70 0.152 19.853 10.366 493 H SER 71 H SER 71 -4.121 17.720 12.635 494 HA SER 71 HA SER 71 -6.077 17.735 10.536 495 HB2 SER 71 1HB SER 71 -5.547 15.649 11.677 496 HB3 SER 71 2HB SER 71 -6.055 16.335 13.221 497 HG SER 71 HG SER 71 -7.815 15.268 12.549 498 H SER 72 H SER 72 -6.061 18.697 13.956 499 HA SER 72 HA SER 72 -8.628 19.438 14.388 500 HB2 SER 72 1HB SER 72 -6.549 19.721 15.905 501 HB3 SER 72 2HB SER 72 -6.416 21.322 15.177 502 HG SER 72 HG SER 72 -8.596 21.688 15.880 503 H GLY 73 H GLY 73 -10.045 20.659 13.343 504 HA2 GLY 73 1HA GLY 73 -9.108 22.581 11.364 505 HA3 GLY 73 2HA GLY 73 -10.764 22.034 11.585 Start of MODEL 20 1 H1 GLY 1 H GLY 1 5.062 -12.531 8.137 2 HA2 GLY 1 1HA GLY 1 3.934 -10.891 10.286 3 HA3 GLY 1 2HA GLY 1 5.310 -11.913 10.673 4 H SER 2 H SER 2 4.941 -8.940 10.610 5 HA SER 2 HA SER 2 6.598 -8.014 8.448 6 HB2 SER 2 1HB SER 2 4.732 -6.714 9.697 7 HB3 SER 2 2HB SER 2 5.971 -6.410 10.914 8 HG SER 2 HG SER 2 6.464 -4.808 9.640 9 H SER 3 H SER 3 8.699 -7.218 8.581 10 HA SER 3 HA SER 3 10.181 -7.370 11.050 11 HB2 SER 3 1HB SER 3 10.205 -9.727 10.306 12 HB3 SER 3 2HB SER 3 10.909 -9.224 8.769 13 HG SER 3 HG SER 3 12.078 -9.478 11.259 14 H GLY 4 H GLY 4 12.002 -6.114 11.023 15 HA2 GLY 4 1HA GLY 4 13.446 -4.489 10.290 16 HA3 GLY 4 2HA GLY 4 13.471 -5.360 8.764 17 H SER 5 H SER 5 11.243 -3.258 10.593 18 HA SER 5 HA SER 5 10.790 -1.757 8.100 19 HB2 SER 5 1HB SER 5 8.735 -2.606 10.150 20 HB3 SER 5 2HB SER 5 8.424 -1.409 8.894 21 HG SER 5 HG SER 5 9.487 -3.859 8.099 22 H SER 6 H SER 6 11.000 0.391 8.252 23 HA SER 6 HA SER 6 11.229 1.557 10.949 24 HB2 SER 6 1HB SER 6 13.394 1.603 9.915 25 HB3 SER 6 2HB SER 6 12.726 2.237 8.411 26 HG SER 6 HG SER 6 12.324 3.697 10.761 27 H GLY 7 H GLY 7 10.635 2.561 7.572 28 HA2 GLY 7 1HA GLY 7 9.167 4.882 8.339 29 HA3 GLY 7 2HA GLY 7 9.267 4.206 6.720 30 HA PRO 8 HA PRO 8 4.921 3.676 8.232 31 HB2 PRO 8 1HB PRO 8 3.770 4.520 5.923 32 HB3 PRO 8 2HB PRO 8 4.258 5.625 7.213 33 HG2 PRO 8 1HG PRO 8 5.680 4.934 4.671 34 HG3 PRO 8 2HG PRO 8 5.462 6.519 5.435 35 HD2 PRO 8 1HD PRO 8 7.761 5.104 5.645 36 HD3 PRO 8 2HD PRO 8 7.175 6.169 6.938 37 H CYS 9 H CYS 9 3.770 1.849 7.931 38 HA CYS 9 HA CYS 9 4.070 0.354 5.434 39 HB2 CYS 9 1HB CYS 9 4.449 -1.749 6.657 40 HB3 CYS 9 2HB CYS 9 5.746 -0.593 6.938 41 HG CYS 9 HG CYS 9 4.726 0.183 9.468 42 H CYS 10 H CYS 10 2.383 -1.158 5.031 43 HA CYS 10 HA CYS 10 0.025 -0.853 6.766 44 HB2 CYS 10 1HB CYS 10 -1.412 -0.721 4.811 45 HB3 CYS 10 2HB CYS 10 -0.201 0.553 4.741 46 HG CYS 10 HG CYS 10 -0.365 -2.281 2.851 47 H ARG 11 H ARG 11 -1.479 -2.606 6.719 48 HA ARG 11 HA ARG 11 -0.210 -5.148 5.960 49 HB2 ARG 11 1HB ARG 11 -0.752 -4.770 8.377 50 HB3 ARG 11 2HB ARG 11 -2.453 -4.710 7.935 51 HG2 ARG 11 1HG ARG 11 -2.563 -6.959 7.496 52 HG3 ARG 11 2HG ARG 11 -0.838 -7.083 7.145 53 HD2 ARG 11 1HD ARG 11 -0.927 -8.102 9.197 54 HD3 ARG 11 2HD ARG 11 -0.596 -6.438 9.674 55 HE ARG 11 HE ARG 11 -2.583 -6.457 10.776 56 HH11 ARG 11 2HH1 ARG 11 -2.743 -8.794 8.200 57 HH12 ARG 11 1HH1 ARG 11 -4.336 -9.335 8.615 58 HH21 ARG 11 2HH2 ARG 11 -4.680 -7.161 11.332 59 HH22 ARG 11 1HH2 ARG 11 -5.437 -8.404 10.395 60 H ALA 12 H ALA 12 -1.298 -6.660 4.753 61 HA ALA 12 HA ALA 12 -3.550 -5.652 3.213 62 HB1 ALA 12 1HB ALA 12 -1.880 -8.143 2.904 63 HB2 ALA 12 2HB ALA 12 -3.180 -7.660 1.814 64 HB3 ALA 12 3HB ALA 12 -1.742 -6.652 1.973 65 H LEU 13 H LEU 13 -5.587 -6.124 3.683 66 HA LEU 13 HA LEU 13 -6.190 -8.136 5.679 67 HB2 LEU 13 1HB LEU 13 -8.009 -6.270 4.163 68 HB3 LEU 13 2HB LEU 13 -8.482 -7.290 5.521 69 HG LEU 13 HG LEU 13 -6.425 -5.100 5.738 70 HD11 LEU 13 1HD1 LEU 13 -8.868 -4.450 7.042 71 HD12 LEU 13 2HD1 LEU 13 -9.212 -4.819 5.353 72 HD13 LEU 13 3HD1 LEU 13 -8.030 -3.575 5.760 73 HD21 LEU 13 1HD2 LEU 13 -6.494 -5.442 8.017 74 HD22 LEU 13 2HD2 LEU 13 -6.647 -7.089 7.404 75 HD23 LEU 13 3HD2 LEU 13 -8.077 -6.218 7.961 76 H TYR 14 H TYR 14 -6.544 -7.663 2.231 77 HA TYR 14 HA TYR 14 -7.467 -10.440 2.003 78 HB2 TYR 14 1HB TYR 14 -8.617 -8.097 0.473 79 HB3 TYR 14 2HB TYR 14 -9.017 -9.788 0.196 80 HD1 TYR 14 1HD TYR 14 -9.256 -7.026 2.647 81 HD2 TYR 14 2HD TYR 14 -10.623 -10.899 1.538 82 HE1 TYR 14 1HE TYR 14 -11.041 -6.871 4.332 83 HE2 TYR 14 2HE TYR 14 -12.413 -10.755 3.219 84 HH TYR 14 HH TYR 14 -13.280 -7.873 4.739 85 H ASP 15 H ASP 15 -7.403 -11.058 -0.460 86 HA ASP 15 HA ASP 15 -4.703 -10.400 -1.364 87 HB2 ASP 15 1HB ASP 15 -4.713 -12.418 -2.557 88 HB3 ASP 15 2HB ASP 15 -5.606 -12.800 -1.088 89 H PHE 16 H PHE 16 -4.248 -9.807 -3.522 90 HA PHE 16 HA PHE 16 -6.545 -8.785 -5.051 91 HB2 PHE 16 1HB PHE 16 -5.689 -6.800 -4.161 92 HB3 PHE 16 2HB PHE 16 -4.022 -7.359 -4.267 93 HD1 PHE 16 2HD PHE 16 -6.698 -7.285 -6.851 94 HD2 PHE 16 1HD PHE 16 -2.915 -5.808 -5.574 95 HE1 PHE 16 2HE PHE 16 -6.442 -6.099 -8.991 96 HE2 PHE 16 1HE PHE 16 -2.654 -4.619 -7.712 97 HZ PHE 16 HZ PHE 16 -4.418 -4.764 -9.425 98 H GLU 17 H GLU 17 -6.599 -9.491 -7.078 99 HA GLU 17 HA GLU 17 -4.122 -10.585 -8.237 100 HB2 GLU 17 1HB GLU 17 -6.991 -11.315 -8.851 101 HB3 GLU 17 2HB GLU 17 -5.574 -12.015 -9.621 102 HG2 GLU 17 1HG GLU 17 -4.867 -13.000 -7.549 103 HG3 GLU 17 2HG GLU 17 -6.165 -12.188 -6.676 104 HA PRO 18 HA PRO 18 -4.861 -6.929 -10.846 105 HB2 PRO 18 1HB PRO 18 -2.271 -6.713 -11.629 106 HB3 PRO 18 2HB PRO 18 -2.868 -6.067 -10.096 107 HG2 PRO 18 1HG PRO 18 -1.409 -8.625 -10.634 108 HG3 PRO 18 2HG PRO 18 -1.176 -7.460 -9.318 109 HD2 PRO 18 1HD PRO 18 -2.556 -9.767 -8.994 110 HD3 PRO 18 2HD PRO 18 -2.956 -8.282 -8.106 111 H GLU 19 H GLU 19 -4.938 -6.687 -13.085 112 HA GLU 19 HA GLU 19 -4.282 -9.105 -14.638 113 HB2 GLU 19 1HB GLU 19 -6.741 -8.623 -14.313 114 HB3 GLU 19 2HB GLU 19 -6.505 -7.160 -15.257 115 HG2 GLU 19 1HG GLU 19 -5.810 -8.476 -17.171 116 HG3 GLU 19 2HG GLU 19 -5.971 -9.957 -16.229 117 H ASN 20 H ASN 20 -4.369 -5.595 -14.573 118 HA ASN 20 HA ASN 20 -2.963 -5.478 -17.141 119 HB2 ASN 20 1HB ASN 20 -4.051 -3.200 -15.473 120 HB3 ASN 20 2HB ASN 20 -3.450 -3.100 -17.126 121 HD21 ASN 20 1HD2 ASN 20 -4.585 -4.893 -18.550 122 HD22 ASN 20 2HD2 ASN 20 -6.310 -4.859 -18.461 123 H GLU 21 H GLU 21 -0.951 -4.511 -17.373 124 HA GLU 21 HA GLU 21 0.946 -4.943 -15.415 125 HB2 GLU 21 1HB GLU 21 1.039 -2.936 -17.673 126 HB3 GLU 21 2HB GLU 21 2.432 -3.476 -16.746 127 HG2 GLU 21 1HG GLU 21 2.546 -4.758 -18.663 128 HG3 GLU 21 2HG GLU 21 1.761 -5.836 -17.510 129 H GLY 22 H GLY 22 2.301 -3.376 -14.251 130 HA2 GLY 22 1HA GLY 22 2.644 -1.372 -13.087 131 HA3 GLY 22 2HA GLY 22 1.081 -0.802 -13.651 132 H GLU 23 H GLU 23 -0.765 -2.384 -12.772 133 HA GLU 23 HA GLU 23 -1.299 -1.822 -10.206 134 HB2 GLU 23 1HB GLU 23 -1.968 -4.297 -11.777 135 HB3 GLU 23 2HB GLU 23 -2.552 -4.080 -10.134 136 HG2 GLU 23 1HG GLU 23 -3.779 -2.133 -10.744 137 HG3 GLU 23 2HG GLU 23 -3.040 -2.102 -12.344 138 H LEU 24 H LEU 24 -0.773 -2.487 -8.185 139 HA LEU 24 HA LEU 24 1.500 -4.324 -7.969 140 HB2 LEU 24 1HB LEU 24 1.782 -2.111 -6.996 141 HB3 LEU 24 2HB LEU 24 0.354 -2.356 -5.992 142 HG LEU 24 HG LEU 24 1.564 -4.216 -4.850 143 HD11 LEU 24 1HD1 LEU 24 4.135 -3.978 -5.136 144 HD12 LEU 24 2HD1 LEU 24 3.716 -3.323 -6.718 145 HD13 LEU 24 3HD1 LEU 24 3.215 -4.956 -6.280 146 HD21 LEU 24 1HD2 LEU 24 1.718 -2.473 -3.446 147 HD22 LEU 24 2HD2 LEU 24 2.200 -1.357 -4.724 148 HD23 LEU 24 3HD2 LEU 24 3.400 -2.410 -3.973 149 H GLY 25 H GLY 25 0.938 -6.376 -7.632 150 HA2 GLY 25 1HA GLY 25 -1.535 -7.062 -6.299 151 HA3 GLY 25 2HA GLY 25 -0.365 -8.185 -6.975 152 H PHE 26 H PHE 26 -1.814 -7.576 -4.230 153 HA PHE 26 HA PHE 26 0.588 -8.066 -2.594 154 HB2 PHE 26 1HB PHE 26 -0.781 -7.105 -0.689 155 HB3 PHE 26 2HB PHE 26 -0.284 -5.954 -1.926 156 HD1 PHE 26 1HD PHE 26 -3.135 -8.312 -1.408 157 HD2 PHE 26 2HD PHE 26 -1.861 -4.385 -2.445 158 HE1 PHE 26 1HE PHE 26 -5.481 -7.636 -1.713 159 HE2 PHE 26 2HE PHE 26 -4.205 -3.702 -2.750 160 HZ PHE 26 HZ PHE 26 -6.019 -5.328 -2.383 161 H LYS 27 H LYS 27 0.077 -9.275 -0.534 162 HA LYS 27 HA LYS 27 -1.961 -11.341 -1.050 163 HB2 LYS 27 1HB LYS 27 0.837 -11.624 0.037 164 HB3 LYS 27 2HB LYS 27 -0.383 -12.873 0.246 165 HG2 LYS 27 1HG LYS 27 -0.599 -12.624 -2.367 166 HG3 LYS 27 2HG LYS 27 1.046 -12.003 -2.208 167 HD2 LYS 27 1HD LYS 27 1.588 -14.083 -0.899 168 HD3 LYS 27 2HD LYS 27 0.002 -14.702 -1.364 169 HE2 LYS 27 1HE LYS 27 0.579 -14.685 -3.668 170 HE3 LYS 27 2HE LYS 27 2.049 -13.762 -3.360 171 HZ1 LYS 27 1HZ LYS 27 2.041 -16.164 -1.855 172 HZ2 LYS 27 2HZ LYS 27 3.165 -15.626 -2.999 173 HZ3 LYS 27 3HZ LYS 27 1.807 -16.504 -3.496 174 H GLU 28 H GLU 28 -3.230 -11.986 0.640 175 HA GLU 28 HA GLU 28 -3.824 -10.256 2.689 176 HB2 GLU 28 1HB GLU 28 -5.388 -11.962 2.141 177 HB3 GLU 28 2HB GLU 28 -4.223 -13.236 2.476 178 HG2 GLU 28 1HG GLU 28 -4.250 -12.345 4.884 179 HG3 GLU 28 2HG GLU 28 -5.730 -11.515 4.403 180 H GLY 29 H GLY 29 -2.524 -9.526 4.238 181 HA2 GLY 29 1HA GLY 29 -1.539 -9.989 6.400 182 HA3 GLY 29 2HA GLY 29 -0.927 -11.498 5.740 183 H ASP 30 H ASP 30 0.033 -10.369 3.272 184 HA ASP 30 HA ASP 30 2.641 -9.699 4.019 185 HB2 ASP 30 1HB ASP 30 1.093 -9.535 1.462 186 HB3 ASP 30 2HB ASP 30 2.686 -8.788 1.550 187 H ILE 31 H ILE 31 3.749 -7.792 4.205 188 HA ILE 31 HA ILE 31 2.099 -5.410 4.591 189 HB ILE 31 HB ILE 31 5.001 -5.852 5.303 190 HG12 ILE 31 1HG1 ILE 31 3.494 -7.334 6.564 191 HG13 ILE 31 2HG1 ILE 31 4.205 -6.106 7.606 192 HG21 ILE 31 1HG2 ILE 31 4.398 -3.499 4.958 193 HG22 ILE 31 2HG2 ILE 31 3.095 -3.668 6.133 194 HG23 ILE 31 3HG2 ILE 31 4.774 -3.840 6.647 195 HD11 ILE 31 1HD1 ILE 31 1.744 -5.119 6.576 196 HD12 ILE 31 2HD1 ILE 31 1.487 -6.730 7.246 197 HD13 ILE 31 3HD1 ILE 31 2.195 -5.461 8.246 198 H ILE 32 H ILE 32 2.024 -3.843 3.130 199 HA ILE 32 HA ILE 32 3.993 -3.835 0.961 200 HB ILE 32 HB ILE 32 1.342 -2.402 1.167 201 HG12 ILE 32 1HG1 ILE 32 0.923 -4.084 -0.816 202 HG13 ILE 32 2HG1 ILE 32 2.211 -5.000 -0.041 203 HG21 ILE 32 1HG2 ILE 32 3.295 -1.437 -0.266 204 HG22 ILE 32 2HG2 ILE 32 2.879 -2.748 -1.367 205 HG23 ILE 32 3HG2 ILE 32 1.670 -1.536 -0.943 206 HD11 ILE 32 1HD1 ILE 32 0.873 -5.697 1.593 207 HD12 ILE 32 2HD1 ILE 32 0.159 -4.099 1.817 208 HD13 ILE 32 3HD1 ILE 32 -0.448 -5.167 0.552 209 H THR 33 H THR 33 5.646 -2.486 1.123 210 HA THR 33 HA THR 33 5.970 -0.506 3.042 211 HB THR 33 HB THR 33 7.298 -0.502 0.327 212 HG1 THR 33 1HG THR 33 8.366 -2.215 0.957 213 HG21 THR 33 1HG2 THR 33 7.730 0.914 2.879 214 HG22 THR 33 2HG2 THR 33 8.148 1.389 1.233 215 HG23 THR 33 3HG2 THR 33 9.177 0.260 2.113 216 H LEU 34 H LEU 34 5.995 1.791 2.897 217 HA LEU 34 HA LEU 34 4.201 2.874 0.825 218 HB2 LEU 34 1HB LEU 34 4.379 3.498 3.758 219 HB3 LEU 34 2HB LEU 34 3.608 4.592 2.611 220 HG LEU 34 HG LEU 34 2.738 1.737 3.030 221 HD11 LEU 34 1HD1 LEU 34 1.700 4.268 4.295 222 HD12 LEU 34 2HD1 LEU 34 2.442 2.896 5.117 223 HD13 LEU 34 3HD1 LEU 34 0.873 2.711 4.333 224 HD21 LEU 34 1HD2 LEU 34 0.938 2.216 1.677 225 HD22 LEU 34 2HD2 LEU 34 2.219 3.142 0.894 226 HD23 LEU 34 3HD2 LEU 34 1.059 3.955 1.946 227 H THR 35 H THR 35 4.970 4.507 -0.352 228 HA THR 35 HA THR 35 7.327 5.964 0.651 229 HB THR 35 HB THR 35 8.096 6.159 -1.710 230 HG1 THR 35 1HG THR 35 6.749 5.540 -3.209 231 HG21 THR 35 1HG2 THR 35 8.033 3.706 -0.113 232 HG22 THR 35 2HG2 THR 35 9.393 4.518 -0.888 233 HG23 THR 35 3HG2 THR 35 8.364 3.434 -1.823 234 H ASN 36 H ASN 36 4.775 6.120 -1.839 235 HA ASN 36 HA ASN 36 4.124 8.823 -1.001 236 HB2 ASN 36 1HB ASN 36 5.325 8.155 -3.672 237 HB3 ASN 36 2HB ASN 36 4.208 9.507 -3.512 238 HD21 ASN 36 1HD2 ASN 36 4.749 11.064 -1.742 239 HD22 ASN 36 2HD2 ASN 36 6.417 11.459 -1.525 240 H GLN 37 H GLN 37 2.278 9.676 -2.490 241 HA GLN 37 HA GLN 37 0.487 7.441 -3.170 242 HB2 GLN 37 1HB GLN 37 -0.328 8.250 -1.094 243 HB3 GLN 37 2HB GLN 37 -0.120 9.927 -1.580 244 HG2 GLN 37 1HG GLN 37 -1.964 9.835 -3.046 245 HG3 GLN 37 2HG GLN 37 -2.049 8.077 -2.945 246 HE21 GLN 37 1HE2 GLN 37 -4.065 7.840 -2.162 247 HE22 GLN 37 2HE2 GLN 37 -4.597 8.445 -0.633 248 H ILE 38 H ILE 38 -0.675 7.636 -5.018 249 HA ILE 38 HA ILE 38 -0.187 10.055 -6.620 250 HB ILE 38 HB ILE 38 -0.857 7.244 -7.492 251 HG12 ILE 38 1HG1 ILE 38 1.410 7.824 -8.772 252 HG13 ILE 38 2HG1 ILE 38 1.616 8.904 -7.397 253 HG21 ILE 38 1HG2 ILE 38 -1.988 8.576 -9.040 254 HG22 ILE 38 2HG2 ILE 38 -0.733 9.813 -9.031 255 HG23 ILE 38 3HG2 ILE 38 -0.432 8.259 -9.808 256 HD11 ILE 38 1HD1 ILE 38 1.583 7.109 -5.867 257 HD12 ILE 38 2HD1 ILE 38 1.020 5.978 -7.098 258 HD13 ILE 38 3HD1 ILE 38 2.656 6.631 -7.182 259 H ASP 39 H ASP 39 -2.691 7.684 -5.782 260 HA ASP 39 HA ASP 39 -4.732 9.563 -6.755 261 HB2 ASP 39 1HB ASP 39 -5.267 6.715 -5.947 262 HB3 ASP 39 2HB ASP 39 -6.198 7.747 -7.030 263 H GLU 40 H GLU 40 -6.913 9.020 -5.390 264 HA GLU 40 HA GLU 40 -6.274 9.957 -2.716 265 HB2 GLU 40 1HB GLU 40 -8.921 9.616 -4.136 266 HB3 GLU 40 2HB GLU 40 -8.732 10.292 -2.524 267 HG2 GLU 40 1HG GLU 40 -8.916 12.153 -3.895 268 HG3 GLU 40 2HG GLU 40 -7.181 12.001 -3.621 269 H ASN 41 H ASN 41 -7.056 7.028 -4.258 270 HA ASN 41 HA ASN 41 -7.527 5.767 -1.641 271 HB2 ASN 41 1HB ASN 41 -9.039 5.427 -4.203 272 HB3 ASN 41 2HB ASN 41 -8.888 4.057 -3.106 273 HD21 ASN 41 1HD2 ASN 41 -11.315 5.258 -3.786 274 HD22 ASN 41 2HD2 ASN 41 -11.983 5.984 -2.367 275 H TRP 42 H TRP 42 -5.273 6.137 -3.790 276 HA TRP 42 HA TRP 42 -4.411 3.321 -3.702 277 HB2 TRP 42 1HB TRP 42 -3.865 5.291 -5.934 278 HB3 TRP 42 2HB TRP 42 -3.298 3.625 -5.861 279 HD1 TRP 42 HD TRP 42 -6.761 5.401 -5.751 280 HE1 TRP 42 1HE TRP 42 -8.404 3.997 -7.149 281 HE3 TRP 42 3HE TRP 42 -3.629 1.594 -7.106 282 HZ2 TRP 42 2HZ TRP 42 -8.377 1.595 -8.630 283 HZ3 TRP 42 3HZ TRP 42 -4.516 -0.218 -8.515 284 HH2 TRP 42 HH TRP 42 -6.841 -0.216 -9.259 285 H TYR 43 H TYR 43 -2.168 2.956 -3.453 286 HA TYR 43 HA TYR 43 -0.640 5.302 -2.536 287 HB2 TYR 43 1HB TYR 43 -0.953 2.596 -1.271 288 HB3 TYR 43 2HB TYR 43 0.491 3.557 -0.976 289 HD1 TYR 43 2HD TYR 43 -0.578 6.273 -0.789 290 HD2 TYR 43 1HD TYR 43 -2.158 2.620 0.714 291 HE1 TYR 43 2HE TYR 43 -1.762 7.517 0.972 292 HE2 TYR 43 1HE TYR 43 -3.348 3.853 2.479 293 HH TYR 43 HH TYR 43 -3.426 7.360 2.535 294 H GLU 44 H GLU 44 1.787 4.684 -2.356 295 HA GLU 44 HA GLU 44 2.560 2.995 -4.636 296 HB2 GLU 44 1HB GLU 44 2.565 5.555 -5.055 297 HB3 GLU 44 2HB GLU 44 3.997 5.563 -4.035 298 HG2 GLU 44 1HG GLU 44 4.940 3.806 -5.604 299 HG3 GLU 44 2HG GLU 44 3.609 4.215 -6.685 300 H GLY 45 H GLY 45 4.023 1.514 -4.107 301 HA2 GLY 45 1HA GLY 45 6.108 2.108 -2.176 302 HA3 GLY 45 2HA GLY 45 4.963 0.870 -1.679 303 H MET 46 H MET 46 7.242 -0.193 -1.672 304 HA MET 46 HA MET 46 7.705 -1.403 -4.318 305 HB2 MET 46 1HB MET 46 9.552 -0.565 -2.144 306 HB3 MET 46 2HB MET 46 9.971 -2.018 -3.041 307 HG2 MET 46 1HG MET 46 9.914 -0.771 -5.125 308 HG3 MET 46 2HG MET 46 9.442 0.685 -4.252 309 HE1 MET 46 1HE MET 46 11.930 0.756 -1.625 310 HE2 MET 46 2HE MET 46 12.259 2.129 -2.682 311 HE3 MET 46 3HE MET 46 10.597 1.603 -2.410 312 H LEU 47 H LEU 47 7.217 -3.484 -4.519 313 HA LEU 47 HA LEU 47 7.321 -5.215 -2.152 314 HB2 LEU 47 1HB LEU 47 4.970 -4.349 -2.788 315 HB3 LEU 47 2HB LEU 47 5.097 -5.470 -4.142 316 HG LEU 47 HG LEU 47 5.418 -7.315 -2.493 317 HD11 LEU 47 1HD1 LEU 47 5.835 -6.846 -0.370 318 HD12 LEU 47 2HD1 LEU 47 4.244 -6.101 -0.226 319 HD13 LEU 47 3HD1 LEU 47 5.636 -5.123 -0.690 320 HD21 LEU 47 1HD2 LEU 47 2.961 -5.702 -2.815 321 HD22 LEU 47 2HD2 LEU 47 2.945 -6.926 -1.546 322 HD23 LEU 47 3HD2 LEU 47 3.274 -7.392 -3.215 323 H HIS 48 H HIS 48 8.522 -6.947 -2.532 324 HA HIS 48 HA HIS 48 9.755 -8.523 -3.622 325 HB2 HIS 48 1HB HIS 48 7.107 -8.542 -4.993 326 HB3 HIS 48 2HB HIS 48 8.416 -9.474 -5.714 327 HD1 HIS 48 1HD HIS 48 9.131 -11.616 -4.529 328 HD2 HIS 48 2HD HIS 48 6.221 -9.481 -2.471 329 HE1 HIS 48 1HE HIS 48 8.324 -13.158 -2.713 330 HE2 HIS 48 2HE HIS 48 6.504 -11.876 -1.535 331 H GLY 49 H GLY 49 10.449 -5.902 -4.286 332 HA2 GLY 49 1HA GLY 49 11.826 -4.824 -5.780 333 HA3 GLY 49 2HA GLY 49 11.924 -6.334 -6.673 334 H HIS 50 H HIS 50 8.816 -4.942 -6.051 335 HA HIS 50 HA HIS 50 8.702 -3.969 -8.829 336 HB2 HIS 50 1HB HIS 50 6.622 -5.555 -7.315 337 HB3 HIS 50 2HB HIS 50 6.303 -4.732 -8.839 338 HD1 HIS 50 1HD HIS 50 8.184 -5.525 -10.793 339 HD2 HIS 50 2HD HIS 50 7.261 -8.142 -7.701 340 HE1 HIS 50 1HE HIS 50 8.861 -7.803 -11.616 341 HE2 HIS 50 2HE HIS 50 8.214 -9.381 -9.762 342 H SER 51 H SER 51 7.939 -1.964 -9.097 343 HA SER 51 HA SER 51 6.787 -0.621 -6.744 344 HB2 SER 51 1HB SER 51 8.921 0.327 -7.539 345 HB3 SER 51 2HB SER 51 8.206 0.595 -9.129 346 HG SER 51 HG SER 51 7.691 1.903 -6.698 347 H GLY 52 H GLY 52 4.629 -0.668 -6.896 348 HA2 GLY 52 1HA GLY 52 3.413 0.513 -9.283 349 HA3 GLY 52 2HA GLY 52 2.885 -1.098 -8.817 350 H PHE 53 H PHE 53 0.901 0.556 -8.912 351 HA PHE 53 HA PHE 53 0.524 1.764 -6.269 352 HB2 PHE 53 1HB PHE 53 -1.448 1.970 -8.524 353 HB3 PHE 53 2HB PHE 53 -1.162 3.093 -7.199 354 HD1 PHE 53 2HD PHE 53 1.596 3.705 -7.241 355 HD2 PHE 53 1HD PHE 53 -0.990 2.956 -10.537 356 HE1 PHE 53 2HE PHE 53 3.064 5.044 -8.692 357 HE2 PHE 53 1HE PHE 53 0.474 4.293 -11.994 358 HZ PHE 53 HZ PHE 53 2.503 5.340 -11.072 359 H PHE 54 H PHE 54 -1.096 1.152 -4.882 360 HA PHE 54 HA PHE 54 -2.782 -1.117 -5.671 361 HB2 PHE 54 1HB PHE 54 -2.361 -2.182 -3.468 362 HB3 PHE 54 2HB PHE 54 -0.914 -2.092 -4.467 363 HD1 PHE 54 1HD PHE 54 0.713 -0.179 -4.021 364 HD2 PHE 54 2HD PHE 54 -2.368 -1.315 -1.313 365 HE1 PHE 54 1HE PHE 54 1.907 0.954 -2.193 366 HE2 PHE 54 2HE PHE 54 -1.179 -0.182 0.520 367 HZ PHE 54 HZ PHE 54 0.961 0.955 0.081 368 HA PRO 55 HA PRO 55 -6.036 1.130 -3.760 369 HB2 PRO 55 1HB PRO 55 -7.679 -0.907 -3.039 370 HB3 PRO 55 2HB PRO 55 -7.468 -0.391 -4.716 371 HG2 PRO 55 1HG PRO 55 -6.207 -2.687 -3.267 372 HG3 PRO 55 2HG PRO 55 -6.884 -2.634 -4.905 373 HD2 PRO 55 1HD PRO 55 -4.223 -2.486 -4.422 374 HD3 PRO 55 2HD PRO 55 -4.993 -1.656 -5.790 375 H ILE 56 H ILE 56 -6.947 1.670 -1.750 376 HA ILE 56 HA ILE 56 -5.410 0.702 0.542 377 HB ILE 56 HB ILE 56 -7.312 3.043 0.391 378 HG12 ILE 56 1HG1 ILE 56 -4.287 3.037 0.331 379 HG13 ILE 56 2HG1 ILE 56 -5.312 3.269 -1.081 380 HG21 ILE 56 1HG2 ILE 56 -7.113 2.282 2.644 381 HG22 ILE 56 2HG2 ILE 56 -5.361 2.141 2.499 382 HG23 ILE 56 3HG2 ILE 56 -6.122 3.732 2.480 383 HD11 ILE 56 1HD1 ILE 56 -5.045 5.070 1.308 384 HD12 ILE 56 2HD1 ILE 56 -4.581 5.404 -0.361 385 HD13 ILE 56 3HD1 ILE 56 -6.285 5.264 0.069 386 H ASN 57 H ASN 57 -8.659 0.785 -0.734 387 HA ASN 57 HA ASN 57 -10.079 0.122 1.593 388 HB2 ASN 57 1HB ASN 57 -11.057 0.889 -0.605 389 HB3 ASN 57 2HB ASN 57 -10.790 -0.742 -1.214 390 HD21 ASN 57 1HD2 ASN 57 -12.623 1.243 0.965 391 HD22 ASN 57 2HD2 ASN 57 -13.857 0.083 1.305 392 H TYR 58 H TYR 58 -7.769 -1.648 -0.050 393 HA TYR 58 HA TYR 58 -8.885 -4.231 0.785 394 HB2 TYR 58 1HB TYR 58 -6.844 -3.407 -1.239 395 HB3 TYR 58 2HB TYR 58 -6.752 -5.023 -0.547 396 HD1 TYR 58 2HD TYR 58 -8.844 -6.497 -0.709 397 HD2 TYR 58 1HD TYR 58 -8.307 -2.957 -3.007 398 HE1 TYR 58 2HE TYR 58 -10.544 -7.281 -2.303 399 HE2 TYR 58 1HE TYR 58 -10.007 -3.731 -4.607 400 HH TYR 58 HH TYR 58 -11.171 -5.587 -5.302 401 H VAL 59 H VAL 59 -6.340 -1.963 1.425 402 HA VAL 59 HA VAL 59 -5.193 -3.819 3.409 403 HB VAL 59 HB VAL 59 -3.096 -2.667 3.239 404 HG11 VAL 59 1HG1 VAL 59 -2.520 -3.081 0.868 405 HG12 VAL 59 2HG1 VAL 59 -3.439 -4.401 1.595 406 HG13 VAL 59 3HG1 VAL 59 -4.238 -3.261 0.511 407 HG21 VAL 59 1HG2 VAL 59 -4.292 -0.848 1.161 408 HG22 VAL 59 2HG2 VAL 59 -4.158 -0.407 2.863 409 HG23 VAL 59 3HG2 VAL 59 -2.704 -0.735 1.921 410 H GLU 60 H GLU 60 -4.119 -2.602 5.275 411 HA GLU 60 HA GLU 60 -5.879 -0.394 6.122 412 HB2 GLU 60 1HB GLU 60 -5.970 -2.761 7.281 413 HB3 GLU 60 2HB GLU 60 -4.539 -2.173 8.115 414 HG2 GLU 60 1HG GLU 60 -7.009 -0.502 8.033 415 HG3 GLU 60 2HG GLU 60 -6.881 -1.842 9.171 416 H ILE 61 H ILE 61 -4.944 1.437 6.811 417 HA ILE 61 HA ILE 61 -2.046 1.619 6.671 418 HB ILE 61 HB ILE 61 -4.198 3.711 6.953 419 HG12 ILE 61 1HG1 ILE 61 -4.083 2.937 4.717 420 HG13 ILE 61 2HG1 ILE 61 -3.155 4.433 4.736 421 HG21 ILE 61 1HG2 ILE 61 -1.785 4.980 6.361 422 HG22 ILE 61 2HG2 ILE 61 -2.695 5.067 7.868 423 HG23 ILE 61 3HG2 ILE 61 -1.416 3.868 7.679 424 HD11 ILE 61 1HD1 ILE 61 -1.829 3.017 3.494 425 HD12 ILE 61 2HD1 ILE 61 -1.124 2.881 5.105 426 HD13 ILE 61 3HD1 ILE 61 -2.197 1.618 4.502 427 H LEU 62 H LEU 62 -0.910 1.169 8.436 428 HA LEU 62 HA LEU 62 -2.065 1.537 11.077 429 HB2 LEU 62 1HB LEU 62 0.658 0.496 10.315 430 HB3 LEU 62 2HB LEU 62 -0.109 0.380 11.897 431 HG LEU 62 HG LEU 62 -1.469 -0.883 9.568 432 HD11 LEU 62 1HD1 LEU 62 0.106 -2.384 9.147 433 HD12 LEU 62 2HD1 LEU 62 0.270 -2.761 10.862 434 HD13 LEU 62 3HD1 LEU 62 1.212 -1.449 10.154 435 HD21 LEU 62 1HD2 LEU 62 -1.672 -2.607 11.587 436 HD22 LEU 62 2HD2 LEU 62 -2.756 -1.228 11.405 437 HD23 LEU 62 3HD2 LEU 62 -1.390 -1.136 12.518 438 H VAL 63 H VAL 63 0.602 2.797 9.130 439 HA VAL 63 HA VAL 63 0.983 4.914 11.148 440 HB VAL 63 HB VAL 63 2.989 3.798 9.184 441 HG11 VAL 63 1HG1 VAL 63 3.037 6.205 10.955 442 HG12 VAL 63 2HG1 VAL 63 4.532 5.334 10.606 443 HG13 VAL 63 3HG1 VAL 63 3.586 6.028 9.289 444 HG21 VAL 63 1HG2 VAL 63 3.261 3.818 12.165 445 HG22 VAL 63 2HG2 VAL 63 2.361 2.536 11.355 446 HG23 VAL 63 3HG2 VAL 63 4.065 2.791 10.979 447 H ALA 64 H ALA 64 -0.026 6.700 10.498 448 HA ALA 64 HA ALA 64 -0.763 7.301 7.860 449 HB1 ALA 64 1HB ALA 64 -0.764 8.724 10.442 450 HB2 ALA 64 2HB ALA 64 -0.792 9.737 8.998 451 HB3 ALA 64 3HB ALA 64 -2.050 8.527 9.250 452 H LEU 65 H LEU 65 0.414 7.962 6.195 453 HA LEU 65 HA LEU 65 3.136 8.380 6.198 454 HB2 LEU 65 1HB LEU 65 1.027 9.435 4.329 455 HB3 LEU 65 2HB LEU 65 2.756 9.586 4.022 456 HG LEU 65 HG LEU 65 1.497 6.898 4.452 457 HD11 LEU 65 1HD1 LEU 65 1.071 6.674 2.120 458 HD12 LEU 65 2HD1 LEU 65 1.773 8.255 1.779 459 HD13 LEU 65 3HD1 LEU 65 0.256 8.138 2.669 460 HD21 LEU 65 1HD2 LEU 65 4.102 7.777 4.095 461 HD22 LEU 65 2HD2 LEU 65 3.629 7.166 2.509 462 HD23 LEU 65 3HD2 LEU 65 3.516 6.122 3.927 463 HA PRO 66 HA PRO 66 3.901 12.397 7.797 464 HB2 PRO 66 1HB PRO 66 6.052 13.142 6.319 465 HB3 PRO 66 2HB PRO 66 6.139 11.919 7.592 466 HG2 PRO 66 1HG PRO 66 5.924 11.557 4.628 467 HG3 PRO 66 2HG PRO 66 6.942 10.687 5.791 468 HD2 PRO 66 1HD PRO 66 4.626 9.663 4.831 469 HD3 PRO 66 2HD PRO 66 5.216 9.318 6.469 470 H HIS 67 H HIS 67 2.143 13.652 7.215 471 HA HIS 67 HA HIS 67 1.844 14.678 4.543 472 HB2 HIS 67 1HB HIS 67 0.338 14.889 7.103 473 HB3 HIS 67 2HB HIS 67 0.099 16.163 5.911 474 HD1 HIS 67 1HD HIS 67 -1.140 15.541 3.742 475 HD2 HIS 67 2HD HIS 67 -0.686 12.373 6.391 476 HE1 HIS 67 1HE HIS 67 -2.661 13.729 2.889 477 HE2 HIS 67 2HE HIS 67 -2.433 11.854 4.555 478 H SER 68 H SER 68 2.455 16.615 3.758 479 HA SER 68 HA SER 68 3.680 18.529 5.633 480 HB2 SER 68 1HB SER 68 4.719 17.483 3.016 481 HB3 SER 68 2HB SER 68 5.185 19.089 3.577 482 HG SER 68 HG SER 68 5.769 17.935 5.602 483 H GLY 69 H GLY 69 2.458 18.214 2.293 484 HA2 GLY 69 1HA GLY 69 2.011 20.926 1.817 485 HA3 GLY 69 2HA GLY 69 1.152 19.612 1.027 486 HA PRO 70 HA PRO 70 -1.447 22.018 4.300 487 HB2 PRO 70 1HB PRO 70 -2.420 24.072 2.816 488 HB3 PRO 70 2HB PRO 70 -0.944 24.199 3.781 489 HG2 PRO 70 1HG PRO 70 -1.251 23.708 0.844 490 HG3 PRO 70 2HG PRO 70 -0.110 24.772 1.687 491 HD2 PRO 70 1HD PRO 70 0.592 22.327 0.758 492 HD3 PRO 70 2HD PRO 70 1.310 23.036 2.218 493 H SER 71 H SER 71 -3.309 20.956 4.469 494 HA SER 71 HA SER 71 -4.805 20.319 2.017 495 HB2 SER 71 1HB SER 71 -3.945 18.477 3.627 496 HB3 SER 71 2HB SER 71 -5.265 18.991 4.677 497 HG SER 71 HG SER 71 -6.650 18.077 3.378 498 H SER 72 H SER 72 -6.606 21.414 1.652 499 HA SER 72 HA SER 72 -7.727 23.137 3.666 500 HB2 SER 72 1HB SER 72 -7.608 23.857 1.317 501 HB3 SER 72 2HB SER 72 -8.681 22.536 0.854 502 HG SER 72 HG SER 72 -10.022 24.223 1.109 503 H GLY 73 H GLY 73 -8.791 22.105 5.265 504 HA2 GLY 73 1HA GLY 73 -10.177 19.716 5.144 505 HA3 GLY 73 2HA GLY 73 -10.513 20.994 6.303
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