NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
556470 | 2m1s | 15660 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1HT MET 1 24.980 -24.332 -43.279 2 H2 MET 1 2HT MET 1 23.887 -23.200 -43.921 3 H3 MET 1 3HT MET 1 23.728 -23.721 -42.311 4 HA MET 1 HA MET 1 26.081 -22.217 -43.338 5 HB2 MET 1 2HB MET 1 23.928 -20.987 -43.517 6 HB3 MET 1 1HB MET 1 23.616 -21.312 -41.811 7 HG2 MET 1 2HG MET 1 24.554 -19.097 -41.950 8 HG3 MET 1 1HG MET 1 25.803 -20.150 -41.286 9 HE1 MET 1 2HE MET 1 24.716 -19.547 -45.314 10 HE2 MET 1 3HE MET 1 25.468 -17.959 -45.177 11 HE3 MET 1 1HE MET 1 24.211 -18.449 -44.032 12 H GLY 2 H GLY 2 27.683 -23.028 -42.008 13 HA2 GLY 2 2HA GLY 2 28.866 -23.260 -39.977 14 HA3 GLY 2 1HA GLY 2 27.454 -22.626 -39.129 15 H ASN 3 H ASN 3 28.366 -24.577 -37.726 16 HA ASN 3 HA ASN 3 27.145 -27.150 -38.641 17 HB2 ASN 3 2HB ASN 3 29.175 -26.407 -36.510 18 HB3 ASN 3 1HB ASN 3 28.596 -28.051 -36.782 19 HD21 ASN 3 1HD2 ASN 3 28.608 -28.427 -39.463 20 HD22 ASN 3 2HD2 ASN 3 30.131 -28.113 -40.142 21 H LYS 4 H LYS 4 25.293 -27.853 -37.632 22 HA LYS 4 HA LYS 4 24.074 -26.220 -35.519 23 HB2 LYS 4 2HB LYS 4 23.282 -28.740 -37.006 24 HB3 LYS 4 1HB LYS 4 22.232 -27.920 -35.848 25 HG2 LYS 4 2HG LYS 4 22.375 -25.850 -37.199 26 HG3 LYS 4 1HG LYS 4 23.391 -26.692 -38.369 27 HD2 LYS 4 2HD LYS 4 21.574 -28.307 -38.791 28 HD3 LYS 4 1HD LYS 4 20.554 -27.461 -37.626 29 HE2 LYS 4 2HE LYS 4 20.694 -25.399 -39.006 30 HE3 LYS 4 1HE LYS 4 21.676 -26.281 -40.194 31 HZ1 LYS 4 3HZ LYS 4 18.924 -26.971 -39.307 32 HZ2 LYS 4 1HZ LYS 4 19.877 -27.944 -40.318 33 HZ3 LYS 4 2HZ LYS 4 19.379 -26.406 -40.844 34 H GLN 5 H GLN 5 26.004 -29.119 -35.667 35 HA GLN 5 HA GLN 5 25.139 -30.042 -32.984 36 HB2 GLN 5 2HB GLN 5 27.094 -31.056 -35.068 37 HB3 GLN 5 1HB GLN 5 26.764 -31.886 -33.548 38 HG2 GLN 5 2HG GLN 5 24.656 -31.190 -35.614 39 HG3 GLN 5 1HG GLN 5 25.405 -32.779 -35.444 40 HE21 GLN 5 1HE2 GLN 5 22.582 -31.363 -34.727 41 HE22 GLN 5 2HE2 GLN 5 22.225 -32.086 -33.234 42 H ALA 6 H ALA 6 27.378 -27.805 -34.200 43 HA ALA 6 HA ALA 6 29.153 -28.154 -31.808 44 HB1 ALA 6 1HB ALA 6 30.827 -26.998 -33.404 45 HB2 ALA 6 2HB ALA 6 29.667 -27.361 -34.681 46 HB3 ALA 6 3HB ALA 6 30.408 -28.672 -33.764 47 H LYS 7 H LYS 7 28.135 -26.608 -30.455 48 HA LYS 7 HA LYS 7 27.518 -24.462 -29.670 49 HB2 LYS 7 2HB LYS 7 30.027 -24.416 -30.856 50 HB3 LYS 7 1HB LYS 7 29.207 -23.062 -31.631 51 HG2 LYS 7 2HG LYS 7 28.671 -22.080 -29.481 52 HG3 LYS 7 1HG LYS 7 29.301 -23.494 -28.634 53 HD2 LYS 7 2HD LYS 7 31.005 -21.775 -28.576 54 HD3 LYS 7 1HD LYS 7 31.540 -23.037 -29.686 55 HE2 LYS 7 2HE LYS 7 30.781 -21.715 -31.612 56 HE3 LYS 7 1HE LYS 7 30.170 -20.454 -30.521 57 HZ1 LYS 7 3HZ LYS 7 32.479 -20.066 -31.362 58 HZ2 LYS 7 1HZ LYS 7 32.972 -21.429 -30.483 59 HZ3 LYS 7 2HZ LYS 7 32.335 -20.080 -29.670 60 H ALA 8 H ALA 8 25.335 -24.645 -30.613 61 HA ALA 8 HA ALA 8 24.931 -23.291 -33.238 62 HB1 ALA 8 1HB ALA 8 23.501 -25.250 -31.510 63 HB2 ALA 8 2HB ALA 8 23.698 -25.233 -33.263 64 HB3 ALA 8 3HB ALA 8 22.499 -24.189 -32.500 65 HA PRO 9 HA PRO 9 23.223 -19.671 -31.422 66 HB2 PRO 9 2HB PRO 9 21.058 -19.118 -32.998 67 HB3 PRO 9 1HB PRO 9 22.732 -18.905 -33.551 68 HG2 PRO 9 2HG PRO 9 20.824 -21.122 -34.107 69 HG3 PRO 9 1HG PRO 9 21.995 -20.344 -35.183 70 HD2 PRO 9 2HD PRO 9 22.417 -22.758 -33.989 71 HD3 PRO 9 1HD PRO 9 23.727 -21.652 -34.455 72 H GLU 10 H GLU 10 21.528 -18.949 -29.991 73 HA GLU 10 HA GLU 10 19.426 -21.003 -29.377 74 HB2 GLU 10 2HB GLU 10 21.181 -19.325 -27.559 75 HB3 GLU 10 1HB GLU 10 19.810 -20.274 -26.984 76 HG2 GLU 10 2HG GLU 10 20.828 -22.327 -27.830 77 HG3 GLU 10 1HG GLU 10 22.172 -21.408 -28.510 78 H SER 11 H SER 11 17.367 -20.185 -29.115 79 HA SER 11 HA SER 11 17.017 -17.224 -28.865 80 HB2 SER 11 2HB SER 11 16.872 -17.914 -31.238 81 HB3 SER 11 1HB SER 11 15.645 -19.104 -30.819 82 HG SER 11 HG SER 11 15.442 -16.397 -31.169 83 H LYS 12 H LYS 12 15.193 -16.644 -27.633 84 HA LYS 12 HA LYS 12 13.975 -18.787 -26.016 85 HB2 LYS 12 2HB LYS 12 14.817 -16.619 -25.105 86 HB3 LYS 12 1HB LYS 12 13.583 -15.777 -26.042 87 HG2 LYS 12 2HG LYS 12 11.819 -17.023 -24.848 88 HG3 LYS 12 1HG LYS 12 13.051 -17.866 -23.909 89 HD2 LYS 12 2HD LYS 12 12.842 -14.849 -23.958 90 HD3 LYS 12 1HD LYS 12 11.975 -15.837 -22.781 91 HE2 LYS 12 2HE LYS 12 14.112 -16.810 -22.007 92 HE3 LYS 12 1HE LYS 12 14.989 -15.817 -23.188 93 HZ1 LYS 12 3HZ LYS 12 14.118 -13.838 -22.196 94 HZ2 LYS 12 1HZ LYS 12 14.823 -14.766 -20.964 95 HZ3 LYS 12 2HZ LYS 12 13.133 -14.730 -21.138 96 H ASP 13 H ASP 13 12.617 -19.846 -27.598 97 HA ASP 13 HA ASP 13 10.638 -18.380 -29.158 98 HB2 ASP 13 2HB ASP 13 11.272 -21.254 -28.508 99 HB3 ASP 13 1HB ASP 13 9.797 -20.851 -29.386 100 H SER 14 H SER 14 8.467 -18.044 -28.649 101 HA SER 14 HA SER 14 6.574 -17.760 -27.265 102 HB2 SER 14 2HB SER 14 6.823 -20.306 -27.717 103 HB3 SER 14 1HB SER 14 7.400 -20.406 -26.057 104 HG SER 14 HG SER 14 5.109 -20.702 -26.281 105 HA PRO 15 HA PRO 15 9.128 -16.336 -23.723 106 HB2 PRO 15 2HB PRO 15 7.908 -13.900 -23.469 107 HB3 PRO 15 1HB PRO 15 9.234 -14.204 -24.610 108 HG2 PRO 15 2HG PRO 15 6.303 -14.062 -25.108 109 HG3 PRO 15 1HG PRO 15 7.646 -13.464 -26.094 110 HD2 PRO 15 2HD PRO 15 6.298 -15.772 -26.629 111 HD3 PRO 15 1HD PRO 15 7.991 -15.496 -27.091 112 H ARG 16 H ARG 16 8.491 -16.049 -21.486 113 HA ARG 16 HA ARG 16 5.972 -17.349 -20.785 114 HB2 ARG 16 2HB ARG 16 8.210 -16.028 -19.220 115 HB3 ARG 16 1HB ARG 16 6.870 -16.889 -18.462 116 HG2 ARG 16 2HG ARG 16 7.480 -18.936 -19.695 117 HG3 ARG 16 1HG ARG 16 8.818 -18.077 -20.460 118 HD2 ARG 16 2HD ARG 16 9.842 -17.678 -18.241 119 HD3 ARG 16 1HD ARG 16 8.503 -18.555 -17.473 120 HE ARG 16 HE ARG 16 9.740 -20.095 -19.611 121 HH11 ARG 16 1HH1 ARG 16 8.875 -20.201 -16.420 122 HH12 ARG 16 2HH1 ARG 16 10.233 -21.129 -15.877 123 HH21 ARG 16 1HH2 ARG 16 11.963 -20.850 -18.868 124 HH22 ARG 16 2HH2 ARG 16 11.979 -21.497 -17.262 125 H ALA 17 H ALA 17 4.142 -16.362 -19.887 126 HA ALA 17 HA ALA 17 4.193 -13.394 -19.514 127 HB1 ALA 17 1HB ALA 17 1.968 -14.868 -20.934 128 HB2 ALA 17 2HB ALA 17 3.380 -14.276 -21.809 129 HB3 ALA 17 3HB ALA 17 2.327 -13.141 -20.965 130 H SER 18 H SER 18 3.055 -12.767 -17.693 131 HA SER 18 HA SER 18 1.496 -14.875 -16.242 132 HB2 SER 18 2HB SER 18 2.912 -12.343 -15.346 133 HB3 SER 18 1HB SER 18 2.017 -13.410 -14.269 134 HG SER 18 HG SER 18 4.511 -13.631 -14.948 135 H LEU 19 H LEU 19 1.438 -11.299 -16.152 136 HA LEU 19 HA LEU 19 -1.546 -11.415 -16.506 137 HB2 LEU 19 2HB LEU 19 0.248 -9.430 -15.072 138 HB3 LEU 19 1HB LEU 19 -1.506 -9.294 -15.195 139 HG LEU 19 HG LEU 19 -0.069 -11.662 -13.936 140 HD11 LEU 19 1HD1 LEU 19 -1.227 -10.496 -11.850 141 HD12 LEU 19 2HD1 LEU 19 -1.040 -9.050 -12.842 142 HD13 LEU 19 3HD1 LEU 19 0.376 -9.997 -12.390 143 HD21 LEU 19 3HD2 LEU 19 -2.975 -10.767 -13.996 144 HD22 LEU 19 1HD2 LEU 19 -2.357 -12.081 -12.994 145 HD23 LEU 19 2HD2 LEU 19 -2.305 -12.214 -14.750 146 H ILE 20 H ILE 20 -2.297 -10.407 -18.337 147 HA ILE 20 HA ILE 20 -0.524 -9.098 -20.209 148 HB ILE 20 HB ILE 20 -3.438 -9.731 -19.907 149 HG12 ILE 20 2HG1 ILE 20 -1.679 -10.010 -22.339 150 HG13 ILE 20 1HG1 ILE 20 -1.610 -11.165 -21.006 151 HG21 ILE 20 1HG2 ILE 20 -3.699 -8.535 -22.245 152 HG22 ILE 20 2HG2 ILE 20 -2.392 -7.513 -21.646 153 HG23 ILE 20 3HG2 ILE 20 -3.913 -7.612 -20.758 154 HD11 ILE 20 3HD1 ILE 20 -3.206 -12.102 -22.480 155 HD12 ILE 20 1HD1 ILE 20 -3.935 -10.533 -22.823 156 HD13 ILE 20 2HD1 ILE 20 -4.186 -11.298 -21.253 157 HA PRO 21 HA PRO 21 -2.613 -5.052 -18.744 158 HB2 PRO 21 2HB PRO 21 -4.271 -5.106 -16.577 159 HB3 PRO 21 1HB PRO 21 -4.846 -5.378 -18.234 160 HG2 PRO 21 2HG PRO 21 -4.261 -7.352 -16.087 161 HG3 PRO 21 1HG PRO 21 -5.569 -7.339 -17.280 162 HD2 PRO 21 2HD PRO 21 -3.342 -8.886 -17.495 163 HD3 PRO 21 1HD PRO 21 -4.285 -8.319 -18.888 164 H ASP 22 H ASP 22 -1.849 -3.532 -17.131 165 HA ASP 22 HA ASP 22 0.382 -4.459 -15.540 166 HB2 ASP 22 2HB ASP 22 -1.169 -1.856 -15.706 167 HB3 ASP 22 1HB ASP 22 0.321 -2.040 -14.782 168 H ALA 23 H ALA 23 -3.032 -4.020 -14.903 169 HA ALA 23 HA ALA 23 -2.951 -3.706 -12.051 170 HB1 ALA 23 1HB ALA 23 -5.024 -3.242 -12.981 171 HB2 ALA 23 2HB ALA 23 -5.311 -4.906 -12.471 172 HB3 ALA 23 3HB ALA 23 -4.904 -4.556 -14.152 173 H THR 24 H THR 24 -3.034 -5.294 -10.407 174 HA THR 24 HA THR 24 -2.745 -8.150 -11.243 175 HB THR 24 HB THR 24 -0.505 -7.195 -10.966 176 HG1 THR 24 1HG THR 24 0.202 -8.710 -9.588 177 HG21 THR 24 3HG2 THR 24 -1.217 -5.300 -9.493 178 HG22 THR 24 1HG2 THR 24 0.202 -6.153 -8.884 179 HG23 THR 24 2HG2 THR 24 -1.381 -6.445 -8.161 180 H HIS 25 H HIS 25 -3.271 -9.656 -9.515 181 HA HIS 25 HA HIS 25 -5.168 -8.507 -7.530 182 HB2 HIS 25 2HB HIS 25 -4.939 -10.905 -9.161 183 HB3 HIS 25 1HB HIS 25 -5.187 -11.332 -7.469 184 HD2 HIS 25 2HD HIS 25 -7.676 -10.431 -6.361 185 HE1 HIS 25 1HE HIS 25 -9.327 -9.196 -10.050 186 HE2 HIS 25 2HE HIS 25 -9.832 -9.646 -7.606 187 H LEU 26 H LEU 26 -5.175 -9.808 -5.372 188 HA LEU 26 HA LEU 26 -2.536 -9.515 -4.164 189 HB2 LEU 26 2HB LEU 26 -5.012 -9.144 -3.284 190 HB3 LEU 26 1HB LEU 26 -4.875 -10.844 -2.838 191 HG LEU 26 HG LEU 26 -4.181 -9.441 -0.958 192 HD11 LEU 26 1HD1 LEU 26 -2.254 -10.619 -0.420 193 HD12 LEU 26 2HD1 LEU 26 -1.569 -10.439 -2.035 194 HD13 LEU 26 3HD1 LEU 26 -2.867 -11.599 -1.753 195 HD21 LEU 26 3HD2 LEU 26 -1.781 -8.407 -2.369 196 HD22 LEU 26 1HD2 LEU 26 -2.783 -7.639 -1.137 197 HD23 LEU 26 2HD2 LEU 26 -3.317 -7.667 -2.818 198 H GLY 27 H GLY 27 -1.147 -11.135 -4.965 199 HA2 GLY 27 2HA GLY 27 -1.804 -13.905 -4.102 200 HA3 GLY 27 1HA GLY 27 -1.326 -13.647 -5.780 201 HA PRO 28 HA PRO 28 2.865 -14.054 -4.528 202 HB2 PRO 28 2HB PRO 28 4.160 -12.431 -6.312 203 HB3 PRO 28 1HB PRO 28 3.469 -14.004 -6.761 204 HG2 PRO 28 2HG PRO 28 2.353 -11.267 -7.153 205 HG3 PRO 28 1HG PRO 28 2.354 -12.651 -8.260 206 HD2 PRO 28 2HD PRO 28 0.183 -11.946 -6.804 207 HD3 PRO 28 1HD PRO 28 0.532 -13.631 -7.248 208 H GLN 29 H GLN 29 4.498 -12.938 -3.306 209 HA GLN 29 HA GLN 29 3.918 -10.065 -2.708 210 HB2 GLN 29 2HB GLN 29 3.509 -12.333 -1.051 211 HB3 GLN 29 1HB GLN 29 4.922 -11.501 -0.404 212 HG2 GLN 29 2HG GLN 29 3.674 -9.392 -0.312 213 HG3 GLN 29 1HG GLN 29 2.265 -10.178 -1.023 214 HE21 GLN 29 1HE2 GLN 29 3.332 -9.128 1.889 215 HE22 GLN 29 2HE2 GLN 29 2.602 -10.269 2.912 216 H PHE 30 H PHE 30 5.730 -9.788 -4.251 217 HA PHE 30 HA PHE 30 8.368 -10.002 -2.865 218 HB2 PHE 30 2HB PHE 30 7.515 -10.888 -5.619 219 HB3 PHE 30 1HB PHE 30 9.195 -10.443 -5.310 220 HD1 PHE 30 2HD PHE 30 6.443 -12.695 -4.180 221 HD2 PHE 30 1HD PHE 30 10.663 -11.904 -4.179 222 HE1 PHE 30 2HE PHE 30 6.861 -14.917 -3.159 223 HE2 PHE 30 1HE PHE 30 11.083 -14.121 -3.159 224 HZ PHE 30 HZ PHE 30 9.181 -15.631 -2.649 225 H CYS 31 H CYS 31 9.530 -8.068 -3.017 226 HA CYS 31 HA CYS 31 8.211 -5.767 -4.259 227 HB2 CYS 31 2HB CYS 31 9.608 -5.901 -2.085 228 HB3 CYS 31 1HB CYS 31 11.019 -5.910 -3.143 229 HG CYS 31 HG CYS 31 10.518 -3.412 -2.644 230 H LYS 32 H LYS 32 8.369 -5.479 -6.434 231 HA LYS 32 HA LYS 32 10.776 -6.480 -7.883 232 HB2 LYS 32 2HB LYS 32 8.184 -6.839 -8.377 233 HB3 LYS 32 1HB LYS 32 8.366 -5.287 -9.193 234 HG2 LYS 32 2HG LYS 32 10.149 -6.167 -10.587 235 HG3 LYS 32 1HG LYS 32 10.138 -7.692 -9.703 236 HD2 LYS 32 2HD LYS 32 7.813 -8.101 -10.438 237 HD3 LYS 32 1HD LYS 32 7.837 -6.584 -11.337 238 HE2 LYS 32 2HE LYS 32 9.685 -7.424 -12.742 239 HE3 LYS 32 1HE LYS 32 9.682 -8.950 -11.834 240 HZ1 LYS 32 3HZ LYS 32 7.365 -7.805 -13.305 241 HZ2 LYS 32 1HZ LYS 32 7.351 -9.248 -12.415 242 HZ3 LYS 32 2HZ LYS 32 8.302 -9.126 -13.818 243 H SER 33 H SER 33 9.613 -3.566 -6.543 244 HA SER 33 HA SER 33 10.433 -1.725 -8.628 245 HB2 SER 33 2HB SER 33 8.806 -1.510 -6.590 246 HB3 SER 33 1HB SER 33 10.262 -1.094 -5.689 247 HG SER 33 HG SER 33 10.459 0.716 -6.819 248 H CYS 34 H CYS 34 11.900 -2.224 -5.354 249 HA CYS 34 HA CYS 34 14.378 -0.983 -6.277 250 HB2 CYS 34 2HB CYS 34 15.114 -1.364 -3.961 251 HB3 CYS 34 1HB CYS 34 13.506 -0.653 -4.004 252 HG CYS 34 HG CYS 34 12.504 -2.948 -3.357 253 H TRP 35 H TRP 35 13.407 -4.329 -5.449 254 HA TRP 35 HA TRP 35 15.146 -5.626 -7.277 255 HB2 TRP 35 2HB TRP 35 16.881 -6.414 -5.508 256 HB3 TRP 35 1HB TRP 35 17.068 -4.781 -6.139 257 HD1 TRP 35 HD TRP 35 14.933 -6.281 -3.267 258 HE1 TRP 35 1HE TRP 35 15.267 -4.814 -1.174 259 HE3 TRP 35 3HE TRP 35 18.237 -2.854 -5.112 260 HZ2 TRP 35 2HZ TRP 35 16.738 -2.487 -0.388 261 HZ3 TRP 35 3HZ TRP 35 19.087 -1.023 -3.673 262 HH2 TRP 35 HH TRP 35 18.343 -0.836 -1.316 263 H PHE 36 H PHE 36 15.449 -8.026 -6.634 264 HA PHE 36 HA PHE 36 12.950 -9.023 -5.452 265 HB2 PHE 36 2HB PHE 36 15.445 -10.364 -6.541 266 HB3 PHE 36 1HB PHE 36 13.956 -11.209 -6.130 267 HD1 PHE 36 1HD PHE 36 11.879 -10.793 -7.415 268 HD2 PHE 36 2HD PHE 36 15.635 -9.052 -8.557 269 HE1 PHE 36 1HE PHE 36 10.968 -10.305 -9.667 270 HE2 PHE 36 2HE PHE 36 14.720 -8.560 -10.811 271 HZ PHE 36 HZ PHE 36 12.385 -9.189 -11.364 272 H GLU 37 H GLU 37 13.298 -8.271 -3.174 273 HA GLU 37 HA GLU 37 15.017 -10.188 -1.655 274 HB2 GLU 37 2HB GLU 37 14.946 -7.163 -1.434 275 HB3 GLU 37 1HB GLU 37 15.705 -8.207 -0.235 276 HG2 GLU 37 2HG GLU 37 17.217 -9.114 -1.947 277 HG3 GLU 37 1HG GLU 37 16.441 -8.122 -3.179 278 H ASN 38 H ASN 38 14.270 -10.507 0.550 279 HA ASN 38 HA ASN 38 11.478 -9.522 1.059 280 HB2 ASN 38 2HB ASN 38 12.840 -12.185 1.511 281 HB3 ASN 38 1HB ASN 38 11.310 -11.772 2.286 282 HD21 ASN 38 1HD2 ASN 38 11.465 -13.915 0.401 283 HD22 ASN 38 2HD2 ASN 38 10.594 -13.476 -0.986 284 H LYS 39 H LYS 39 14.166 -8.439 1.950 285 HA LYS 39 HA LYS 39 14.688 -9.077 4.688 286 HB2 LYS 39 2HB LYS 39 15.109 -6.603 2.992 287 HB3 LYS 39 1HB LYS 39 15.794 -6.790 4.607 288 HG2 LYS 39 2HG LYS 39 16.969 -8.829 3.887 289 HG3 LYS 39 1HG LYS 39 16.268 -8.675 2.277 290 HD2 LYS 39 2HD LYS 39 17.392 -6.498 1.990 291 HD3 LYS 39 1HD LYS 39 18.093 -6.648 3.602 292 HE2 LYS 39 2HE LYS 39 19.287 -8.698 2.906 293 HE3 LYS 39 1HE LYS 39 18.584 -8.551 1.282 294 HZ1 LYS 39 3HZ LYS 39 20.784 -7.494 1.431 295 HZ2 LYS 39 1HZ LYS 39 20.197 -6.453 2.633 296 HZ3 LYS 39 2HZ LYS 39 19.561 -6.373 1.060 297 H GLY 40 H GLY 40 12.572 -6.585 3.239 298 HA2 GLY 40 2HA GLY 40 11.003 -6.505 5.744 299 HA3 GLY 40 1HA GLY 40 11.766 -4.987 5.265 300 H LEU 41 H LEU 41 10.043 -7.582 3.511 301 HA LEU 41 HA LEU 41 8.869 -5.780 1.593 302 HB2 LEU 41 2HB LEU 41 9.308 -8.179 1.226 303 HB3 LEU 41 1HB LEU 41 8.127 -8.590 2.469 304 HG LEU 41 HG LEU 41 6.389 -7.373 1.115 305 HD11 LEU 41 1HD1 LEU 41 8.771 -7.104 -0.698 306 HD12 LEU 41 2HD1 LEU 41 7.549 -5.903 -0.281 307 HD13 LEU 41 3HD1 LEU 41 7.154 -7.214 -1.393 308 HD21 LEU 41 3HD2 LEU 41 6.923 -9.892 1.028 309 HD22 LEU 41 1HD2 LEU 41 7.723 -9.546 -0.505 310 HD23 LEU 41 2HD2 LEU 41 5.999 -9.225 -0.318 311 H VAL 42 H VAL 42 6.935 -4.718 1.632 312 HA VAL 42 HA VAL 42 5.076 -5.174 3.940 313 HB VAL 42 HB VAL 42 5.892 -2.584 2.562 314 HG11 VAL 42 1HG1 VAL 42 3.702 -2.173 3.255 315 HG12 VAL 42 2HG1 VAL 42 4.627 -1.683 4.676 316 HG13 VAL 42 3HG1 VAL 42 3.830 -3.257 4.640 317 HG21 VAL 42 3HG2 VAL 42 7.613 -3.581 4.075 318 HG22 VAL 42 1HG2 VAL 42 6.427 -3.570 5.382 319 HG23 VAL 42 2HG2 VAL 42 6.983 -2.050 4.682 320 H GLU 43 H GLU 43 3.005 -5.632 3.219 321 HA GLU 43 HA GLU 43 2.539 -5.582 0.305 322 HB2 GLU 43 2HB GLU 43 2.080 -7.560 1.733 323 HB3 GLU 43 1HB GLU 43 0.873 -6.624 2.617 324 HG2 GLU 43 2HG GLU 43 -0.430 -6.313 0.568 325 HG3 GLU 43 1HG GLU 43 0.793 -7.174 -0.366 326 H CYS 44 H CYS 44 1.898 -3.599 -0.441 327 HA CYS 44 HA CYS 44 0.176 -1.713 0.956 328 HB2 CYS 44 2HB CYS 44 1.764 -1.770 -1.318 329 HB3 CYS 44 1HB CYS 44 0.148 -1.807 -2.012 330 HG CYS 44 HG CYS 44 -0.333 0.423 -0.582 331 H ASN 45 H ASN 45 -2.180 -1.302 -0.129 332 HA ASN 45 HA ASN 45 -3.809 -3.588 0.243 333 HB2 ASN 45 2HB ASN 45 -4.112 -1.059 -1.393 334 HB3 ASN 45 1HB ASN 45 -5.432 -2.216 -1.216 335 HD21 ASN 45 1HD2 ASN 45 -5.572 0.474 -0.160 336 HD22 ASN 45 2HD2 ASN 45 -5.631 0.365 1.533 337 H ASN 46 H ASN 46 -3.308 -2.155 -3.011 338 HA ASN 46 HA ASN 46 -3.359 -4.920 -4.166 339 HB2 ASN 46 2HB ASN 46 -4.071 -2.182 -5.252 340 HB3 ASN 46 1HB ASN 46 -4.064 -3.651 -6.234 341 HD21 ASN 46 1HD2 ASN 46 -5.802 -1.915 -3.713 342 HD22 ASN 46 2HD2 ASN 46 -7.110 -2.990 -3.612 343 H HIS 47 H HIS 47 -0.927 -3.487 -3.053 344 HA HIS 47 HA HIS 47 0.807 -3.744 -5.464 345 HB2 HIS 47 2HB HIS 47 0.354 -1.470 -5.654 346 HB3 HIS 47 1HB HIS 47 0.028 -1.287 -3.938 347 HD2 HIS 47 2HD HIS 47 3.527 -2.453 -5.448 348 HE1 HIS 47 1HE HIS 47 4.081 1.125 -3.282 349 HE2 HIS 47 2HE HIS 47 5.258 -0.754 -4.509 350 H TYR 48 H TYR 48 3.044 -4.247 -4.881 351 HA TYR 48 HA TYR 48 3.456 -4.866 -1.965 352 HB2 TYR 48 2HB TYR 48 4.771 -6.124 -4.389 353 HB3 TYR 48 1HB TYR 48 4.885 -6.679 -2.724 354 HD1 TYR 48 2HD TYR 48 2.754 -7.513 -1.565 355 HD2 TYR 48 1HD TYR 48 3.028 -6.791 -5.789 356 HE1 TYR 48 2HE TYR 48 0.758 -8.938 -1.942 357 HE2 TYR 48 1HE TYR 48 1.041 -8.216 -6.168 358 HH TYR 48 HH TYR 48 -0.801 -9.140 -5.063 359 H LEU 49 H LEU 49 4.960 -3.580 -1.023 360 HA LEU 49 HA LEU 49 7.441 -2.864 -2.503 361 HB2 LEU 49 2HB LEU 49 5.634 -1.006 -2.559 362 HB3 LEU 49 1HB LEU 49 5.919 -0.848 -0.828 363 HG LEU 49 HG LEU 49 8.364 -0.538 -1.327 364 HD11 LEU 49 1HD1 LEU 49 8.831 -1.379 -3.419 365 HD12 LEU 49 2HD1 LEU 49 8.585 0.308 -3.854 366 HD13 LEU 49 3HD1 LEU 49 7.288 -0.863 -4.092 367 HD21 LEU 49 3HD2 LEU 49 6.717 1.369 -1.010 368 HD22 LEU 49 1HD2 LEU 49 6.622 1.480 -2.767 369 HD23 LEU 49 2HD2 LEU 49 8.154 1.777 -1.946 370 H CYS 50 H CYS 50 9.261 -2.650 -0.967 371 HA CYS 50 HA CYS 50 8.617 -3.782 1.699 372 HB2 CYS 50 2HB CYS 50 10.920 -4.515 1.716 373 HB3 CYS 50 1HB CYS 50 10.236 -4.908 0.144 374 HG CYS 50 HG CYS 50 12.471 -3.759 -0.399 375 H LEU 51 H LEU 51 9.697 -2.890 3.571 376 HA LEU 51 HA LEU 51 9.389 -0.093 3.874 377 HB2 LEU 51 2HB LEU 51 9.485 -2.056 5.578 378 HB3 LEU 51 1HB LEU 51 11.229 -1.795 5.555 379 HG LEU 51 HG LEU 51 10.675 0.682 5.996 380 HD11 LEU 51 1HD1 LEU 51 8.033 -0.649 6.620 381 HD12 LEU 51 2HD1 LEU 51 8.327 0.692 5.514 382 HD13 LEU 51 3HD1 LEU 51 8.488 0.933 7.253 383 HD21 LEU 51 3HD2 LEU 51 10.663 0.310 8.380 384 HD22 LEU 51 1HD2 LEU 51 11.595 -0.999 7.654 385 HD23 LEU 51 2HD2 LEU 51 9.936 -1.285 8.178 386 H ASN 52 H ASN 52 12.104 -1.978 2.746 387 HA ASN 52 HA ASN 52 14.262 -0.208 3.269 388 HB2 ASN 52 2HB ASN 52 14.051 -2.636 2.238 389 HB3 ASN 52 1HB ASN 52 14.024 -1.758 0.708 390 HD21 ASN 52 1HD2 ASN 52 15.855 0.124 0.748 391 HD22 ASN 52 2HD2 ASN 52 17.385 -0.418 1.244 392 H CYS 53 H CYS 53 12.270 -0.458 0.269 393 HA CYS 53 HA CYS 53 13.358 2.166 -0.621 394 HB2 CYS 53 2HB CYS 53 12.264 1.591 -2.757 395 HB3 CYS 53 1HB CYS 53 13.282 0.271 -2.197 396 HG CYS 53 HG CYS 53 11.265 -1.165 -1.829 397 H LEU 54 H LEU 54 10.429 0.726 0.616 398 HA LEU 54 HA LEU 54 8.512 2.718 -0.092 399 HB2 LEU 54 2HB LEU 54 8.086 0.458 0.872 400 HB3 LEU 54 1HB LEU 54 8.752 1.006 2.404 401 HG LEU 54 HG LEU 54 6.478 2.473 1.102 402 HD11 LEU 54 1HD1 LEU 54 4.974 1.086 2.558 403 HD12 LEU 54 2HD1 LEU 54 6.356 0.042 2.896 404 HD13 LEU 54 3HD1 LEU 54 5.730 0.173 1.252 405 HD21 LEU 54 3HD2 LEU 54 7.032 3.760 2.918 406 HD22 LEU 54 1HD2 LEU 54 7.862 2.431 3.726 407 HD23 LEU 54 2HD2 LEU 54 6.104 2.554 3.810 408 H THR 55 H THR 55 10.701 2.454 2.716 409 HA THR 55 HA THR 55 9.772 4.727 4.169 410 HB THR 55 HB THR 55 12.492 3.421 3.922 411 HG1 THR 55 1HG THR 55 10.370 3.096 5.763 412 HG21 THR 55 3HG2 THR 55 12.874 4.389 6.222 413 HG22 THR 55 1HG2 THR 55 11.426 5.369 5.985 414 HG23 THR 55 2HG2 THR 55 12.825 5.591 4.934 415 H LEU 56 H LEU 56 12.325 4.463 1.661 416 HA LEU 56 HA LEU 56 13.182 7.189 1.738 417 HB2 LEU 56 2HB LEU 56 13.176 4.983 -0.319 418 HB3 LEU 56 1HB LEU 56 13.821 6.575 -0.717 419 HG LEU 56 HG LEU 56 14.712 5.041 1.730 420 HD11 LEU 56 1HD1 LEU 56 16.805 4.747 0.111 421 HD12 LEU 56 2HD1 LEU 56 15.555 4.819 -1.131 422 HD13 LEU 56 3HD1 LEU 56 15.488 3.574 0.117 423 HD21 LEU 56 3HD2 LEU 56 16.455 6.626 1.835 424 HD22 LEU 56 1HD2 LEU 56 15.062 7.598 1.368 425 HD23 LEU 56 2HD2 LEU 56 16.238 7.110 0.153 426 H LEU 57 H LEU 57 10.626 5.580 -0.152 427 HA LEU 57 HA LEU 57 9.793 8.177 -1.336 428 HB2 LEU 57 2HB LEU 57 9.007 5.278 -1.690 429 HB3 LEU 57 1HB LEU 57 8.146 6.592 -2.489 430 HG LEU 57 HG LEU 57 11.138 6.240 -2.731 431 HD11 LEU 57 1HD1 LEU 57 10.520 5.277 -5.013 432 HD12 LEU 57 2HD1 LEU 57 8.875 5.107 -4.398 433 HD13 LEU 57 3HD1 LEU 57 10.198 4.222 -3.637 434 HD21 LEU 57 3HD2 LEU 57 9.047 7.694 -4.383 435 HD22 LEU 57 1HD2 LEU 57 10.780 7.671 -4.711 436 HD23 LEU 57 2HD2 LEU 57 10.168 8.459 -3.258 437 H LEU 58 H LEU 58 9.318 7.031 1.634 438 HA LEU 58 HA LEU 58 7.597 7.264 3.243 439 HB2 LEU 58 2HB LEU 58 6.880 9.143 1.039 440 HB3 LEU 58 1HB LEU 58 5.596 8.727 2.173 441 HG LEU 58 HG LEU 58 8.324 9.576 3.117 442 HD11 LEU 58 1HD1 LEU 58 6.641 11.760 3.486 443 HD12 LEU 58 2HD1 LEU 58 6.220 11.202 1.867 444 HD13 LEU 58 3HD1 LEU 58 7.888 11.627 2.246 445 HD21 LEU 58 3HD2 LEU 58 5.668 9.006 4.308 446 HD22 LEU 58 1HD2 LEU 58 6.514 10.409 4.960 447 HD23 LEU 58 2HD2 LEU 58 7.278 8.820 5.004 448 H SER 59 H SER 59 5.765 5.984 3.790 449 HA SER 59 HA SER 59 5.003 3.924 1.885 450 HB2 SER 59 2HB SER 59 4.940 4.029 4.536 451 HB3 SER 59 1HB SER 59 3.332 4.699 4.276 452 HG SER 59 HG SER 59 3.942 2.196 4.314 453 H VAL 60 H VAL 60 3.036 6.461 3.426 454 HA VAL 60 HA VAL 60 1.895 7.234 0.828 455 HB VAL 60 HB VAL 60 -0.426 6.903 1.686 456 HG11 VAL 60 1HG1 VAL 60 0.853 5.214 0.266 457 HG12 VAL 60 2HG1 VAL 60 -0.521 4.577 1.170 458 HG13 VAL 60 3HG1 VAL 60 1.122 4.309 1.756 459 HG21 VAL 60 3HG2 VAL 60 -0.885 6.100 3.767 460 HG22 VAL 60 1HG2 VAL 60 0.739 6.677 4.143 461 HG23 VAL 60 2HG2 VAL 60 0.476 4.978 3.743 462 H SER 61 H SER 61 3.498 8.915 2.136 463 HA SER 61 HA SER 61 2.513 10.418 4.332 464 HB2 SER 61 2HB SER 61 4.733 10.783 3.574 465 HB3 SER 61 1HB SER 61 4.211 11.091 1.922 466 HG SER 61 HG SER 61 4.253 12.749 4.147 467 H ASN 62 H ASN 62 1.988 10.879 0.862 468 HA ASN 62 HA ASN 62 -0.435 12.518 1.504 469 HB2 ASN 62 2HB ASN 62 1.611 13.763 0.602 470 HB3 ASN 62 1HB ASN 62 1.392 12.851 -0.892 471 HD21 ASN 62 1HD2 ASN 62 0.687 14.624 -2.217 472 HD22 ASN 62 2HD2 ASN 62 -0.765 15.456 -1.935 473 H ARG 63 H ARG 63 1.229 10.530 -0.941 474 HA ARG 63 HA ARG 63 -1.266 9.046 -1.496 475 HB2 ARG 63 2HB ARG 63 -1.167 11.258 -2.816 476 HB3 ARG 63 1HB ARG 63 0.159 10.524 -3.717 477 HG2 ARG 63 2HG ARG 63 -1.826 8.547 -3.688 478 HG3 ARG 63 1HG ARG 63 -2.711 10.051 -3.938 479 HD2 ARG 63 2HD ARG 63 -0.298 9.189 -5.579 480 HD3 ARG 63 1HD ARG 63 -1.986 9.048 -6.102 481 HE ARG 63 HE ARG 63 -1.732 11.703 -5.294 482 HH11 ARG 63 1HH1 ARG 63 -0.252 9.631 -7.687 483 HH12 ARG 63 2HH1 ARG 63 0.190 10.958 -8.708 484 HH21 ARG 63 1HH2 ARG 63 -1.089 13.390 -6.613 485 HH22 ARG 63 2HH2 ARG 63 -0.280 13.061 -8.109 486 H CYS 64 H CYS 64 -0.805 6.979 -2.439 487 HA CYS 64 HA CYS 64 2.041 6.178 -2.506 488 HB2 CYS 64 2HB CYS 64 0.047 4.833 -1.579 489 HB3 CYS 64 1HB CYS 64 -0.415 4.554 -3.259 490 HG CYS 64 HG CYS 64 1.219 2.688 -3.178 491 HA PRO 65 HA PRO 65 1.910 7.482 -6.821 492 HB2 PRO 65 2HB PRO 65 4.501 6.859 -7.451 493 HB3 PRO 65 1HB PRO 65 4.035 8.331 -6.574 494 HG2 PRO 65 2HG PRO 65 5.093 5.751 -5.512 495 HG3 PRO 65 1HG PRO 65 5.510 7.412 -5.051 496 HD2 PRO 65 2HD PRO 65 3.845 5.886 -3.579 497 HD3 PRO 65 1HD PRO 65 3.644 7.647 -3.708 498 H ILE 66 H ILE 66 3.205 4.306 -5.805 499 HA ILE 66 HA ILE 66 3.080 3.149 -8.455 500 HB ILE 66 HB ILE 66 3.074 1.852 -5.715 501 HG12 ILE 66 2HG1 ILE 66 5.383 2.466 -7.592 502 HG13 ILE 66 1HG1 ILE 66 4.966 3.455 -6.193 503 HG21 ILE 66 1HG2 ILE 66 2.613 0.063 -7.106 504 HG22 ILE 66 2HG2 ILE 66 4.366 0.117 -7.297 505 HG23 ILE 66 3HG2 ILE 66 3.323 0.846 -8.520 506 HD11 ILE 66 3HD1 ILE 66 5.521 0.496 -5.983 507 HD12 ILE 66 1HD1 ILE 66 5.447 1.676 -4.674 508 HD13 ILE 66 2HD1 ILE 66 6.787 1.707 -5.819 509 H CYS 67 H CYS 67 0.817 3.018 -5.669 510 HA CYS 67 HA CYS 67 -1.111 1.301 -6.896 511 HB2 CYS 67 2HB CYS 67 -1.230 3.469 -4.794 512 HB3 CYS 67 1HB CYS 67 -2.659 2.537 -5.243 513 HG CYS 67 HG CYS 67 -0.078 1.244 -4.024 514 H LYS 68 H LYS 68 -0.280 4.617 -7.518 515 HA LYS 68 HA LYS 68 -1.119 6.173 -9.065 516 HB2 LYS 68 2HB LYS 68 -1.271 3.632 -10.161 517 HB3 LYS 68 1HB LYS 68 -2.910 4.242 -10.381 518 HG2 LYS 68 2HG LYS 68 -2.079 6.208 -11.539 519 HG3 LYS 68 1HG LYS 68 -0.409 5.747 -11.201 520 HD2 LYS 68 2HD LYS 68 -2.339 4.032 -12.785 521 HD3 LYS 68 1HD LYS 68 -1.178 5.138 -13.522 522 HE2 LYS 68 2HE LYS 68 0.653 3.919 -12.259 523 HE3 LYS 68 1HE LYS 68 -0.566 2.715 -11.801 524 HZ1 LYS 68 3HZ LYS 68 -1.120 2.458 -14.155 525 HZ2 LYS 68 1HZ LYS 68 0.501 2.058 -13.856 526 HZ3 LYS 68 2HZ LYS 68 0.114 3.549 -14.571 527 H MET 69 H MET 69 -2.662 5.405 -6.521 528 HA MET 69 HA MET 69 -5.201 6.749 -7.336 529 HB2 MET 69 2HB MET 69 -4.780 4.056 -6.132 530 HB3 MET 69 1HB MET 69 -6.166 4.990 -5.562 531 HG2 MET 69 2HG MET 69 -6.867 5.331 -7.932 532 HG3 MET 69 1HG MET 69 -5.533 4.300 -8.446 533 HE1 MET 69 3HE MET 69 -6.156 1.681 -9.004 534 HE2 MET 69 1HE MET 69 -6.226 0.875 -7.431 535 HE3 MET 69 2HE MET 69 -5.054 2.159 -7.715 536 HA PRO 70 HA PRO 70 -4.535 9.068 -3.670 537 HB2 PRO 70 2HB PRO 70 -7.082 9.827 -3.046 538 HB3 PRO 70 1HB PRO 70 -6.189 10.487 -4.430 539 HG2 PRO 70 2HG PRO 70 -8.334 8.440 -4.368 540 HG3 PRO 70 1HG PRO 70 -7.989 9.682 -5.580 541 HD2 PRO 70 2HD PRO 70 -7.332 7.012 -5.817 542 HD3 PRO 70 1HD PRO 70 -6.564 8.333 -6.722 543 H LEU 71 H LEU 71 -4.749 8.982 -1.350 544 HA LEU 71 HA LEU 71 -5.996 6.457 -0.322 545 HB2 LEU 71 2HB LEU 71 -3.444 7.911 0.110 546 HB3 LEU 71 1HB LEU 71 -4.187 7.253 1.567 547 HG LEU 71 HG LEU 71 -2.624 5.635 0.514 548 HD11 LEU 71 1HD1 LEU 71 -5.359 4.506 0.050 549 HD12 LEU 71 2HD1 LEU 71 -4.938 5.072 1.666 550 HD13 LEU 71 3HD1 LEU 71 -3.985 3.801 0.903 551 HD21 LEU 71 3HD2 LEU 71 -4.606 5.554 -1.780 552 HD22 LEU 71 1HD2 LEU 71 -3.075 4.686 -1.658 553 HD23 LEU 71 2HD2 LEU 71 -3.084 6.440 -1.851 554 HA PRO 72 HA PRO 72 -8.207 10.177 1.458 555 HB2 PRO 72 2HB PRO 72 -10.745 9.220 1.064 556 HB3 PRO 72 1HB PRO 72 -9.867 10.161 -0.160 557 HG2 PRO 72 2HG PRO 72 -10.229 7.208 0.054 558 HG3 PRO 72 1HG PRO 72 -10.309 8.250 -1.376 559 HD2 PRO 72 2HD PRO 72 -8.133 6.758 -0.802 560 HD3 PRO 72 1HD PRO 72 -8.018 8.338 -1.609 561 H THR 73 H THR 73 -9.310 10.209 3.501 562 HA THR 73 HA THR 73 -9.554 7.564 4.890 563 HB THR 73 HB THR 73 -8.512 8.662 6.849 564 HG1 THR 73 1HG THR 73 -8.827 10.747 6.771 565 HG21 THR 73 3HG2 THR 73 -7.134 7.582 4.965 566 HG22 THR 73 1HG2 THR 73 -6.277 8.673 6.054 567 HG23 THR 73 2HG2 THR 73 -6.765 9.229 4.454 568 H LYS 74 H LYS 74 -11.113 7.622 6.681 569 HA LYS 74 HA LYS 74 -13.051 9.910 6.520 570 HB2 LYS 74 2HB LYS 74 -13.510 6.918 6.750 571 HB3 LYS 74 1HB LYS 74 -14.790 8.128 6.866 572 HG2 LYS 74 2HG LYS 74 -14.228 8.940 4.601 573 HG3 LYS 74 1HG LYS 74 -12.957 7.721 4.484 574 HD2 LYS 74 2HD LYS 74 -15.868 7.053 4.986 575 HD3 LYS 74 1HD LYS 74 -15.132 7.060 3.383 576 HE2 LYS 74 2HE LYS 74 -13.415 5.416 4.243 577 HE3 LYS 74 1HE LYS 74 -14.370 5.297 5.735 578 HZ1 LYS 74 3HZ LYS 74 -16.319 4.769 4.378 579 HZ2 LYS 74 1HZ LYS 74 -15.090 3.620 4.166 580 HZ3 LYS 74 2HZ LYS 74 -15.360 4.802 2.976 581 H LEU 75 H LEU 75 -13.919 10.587 8.517 582 HA LEU 75 HA LEU 75 -13.941 10.921 10.862 583 HB2 LEU 75 2HB LEU 75 -14.742 8.379 10.233 584 HB3 LEU 75 1HB LEU 75 -13.423 8.044 11.352 585 HG LEU 75 HG LEU 75 -14.528 9.800 12.889 586 HD11 LEU 75 1HD1 LEU 75 -17.087 9.093 11.534 587 HD12 LEU 75 2HD1 LEU 75 -16.096 10.338 10.773 588 HD13 LEU 75 3HD1 LEU 75 -16.657 10.548 12.433 589 HD21 LEU 75 3HD2 LEU 75 -15.985 7.205 12.288 590 HD22 LEU 75 1HD2 LEU 75 -16.061 8.101 13.804 591 HD23 LEU 75 2HD2 LEU 75 -14.547 7.353 13.298 592 H ARG 76 H ARG 76 -12.581 10.197 12.961 593 HA ARG 76 HA ARG 76 -9.709 9.836 12.209 594 HB2 ARG 76 2HB ARG 76 -11.080 12.087 13.647 595 HB3 ARG 76 1HB ARG 76 -9.429 11.671 14.103 596 HG2 ARG 76 2HG ARG 76 -8.883 13.084 12.394 597 HG3 ARG 76 1HG ARG 76 -9.186 11.661 11.398 598 HD2 ARG 76 2HD ARG 76 -10.722 12.947 10.312 599 HD3 ARG 76 1HD ARG 76 -11.733 12.764 11.761 600 HE ARG 76 HE ARG 76 -9.680 14.860 11.952 601 HH11 ARG 76 1HH1 ARG 76 -12.823 14.235 10.635 602 HH12 ARG 76 2HH1 ARG 76 -13.448 15.785 11.092 603 HH21 ARG 76 1HH2 ARG 76 -10.575 16.789 12.733 604 HH22 ARG 76 2HH2 ARG 76 -12.187 17.217 12.267 605 HA PRO 77 HA PRO 77 -11.081 7.262 15.836 606 HB2 PRO 77 2HB PRO 77 -10.218 4.853 14.873 607 HB3 PRO 77 1HB PRO 77 -11.832 5.506 14.528 608 HG2 PRO 77 2HG PRO 77 -9.401 5.473 12.817 609 HG3 PRO 77 1HG PRO 77 -11.100 5.247 12.372 610 HD2 PRO 77 2HD PRO 77 -9.717 7.577 11.992 611 HD3 PRO 77 1HD PRO 77 -11.481 7.492 12.188 612 H SER 78 H SER 78 -9.632 6.588 17.482 613 HA SER 78 HA SER 78 -7.569 6.547 18.639 614 HB2 SER 78 2HB SER 78 -7.332 5.075 16.094 615 HB3 SER 78 1HB SER 78 -5.788 5.546 16.798 616 HG SER 78 HG SER 78 -6.763 3.483 17.513 617 H ALA 79 H ALA 79 -8.248 8.977 16.894 618 HA ALA 79 HA ALA 79 -5.458 9.987 16.443 619 HB1 ALA 79 1HB ALA 79 -7.892 11.290 15.300 620 HB2 ALA 79 2HB ALA 79 -7.418 9.726 14.639 621 HB3 ALA 79 3HB ALA 79 -6.295 11.085 14.582 622 H ALA 80 H ALA 80 -8.588 10.635 17.945 623 HA ALA 80 HA ALA 80 -7.319 12.788 19.571 624 HB1 ALA 80 1HB ALA 80 -8.429 13.802 17.591 625 HB2 ALA 80 2HB ALA 80 -9.242 14.261 19.087 626 HB3 ALA 80 3HB ALA 80 -9.941 13.017 18.049 627 HA PRO 81 HA PRO 81 -10.023 9.888 21.982 628 HB2 PRO 81 2HB PRO 81 -8.222 9.354 23.969 629 HB3 PRO 81 1HB PRO 81 -8.282 8.432 22.452 630 HG2 PRO 81 2HG PRO 81 -6.413 10.584 23.289 631 HG3 PRO 81 1HG PRO 81 -6.107 9.131 22.323 632 HD2 PRO 81 2HD PRO 81 -6.403 11.655 21.277 633 HD3 PRO 81 1HD PRO 81 -6.698 10.153 20.374 634 H THR 82 H THR 82 -11.442 11.039 23.230 635 HA THR 82 HA THR 82 -10.340 12.976 25.234 636 HB THR 82 HB THR 82 -12.170 14.510 24.577 637 HG1 THR 82 1HG THR 82 -13.719 13.808 23.371 638 HG21 THR 82 3HG2 THR 82 -10.799 13.704 22.027 639 HG22 THR 82 1HG2 THR 82 -9.862 14.353 23.372 640 HG23 THR 82 2HG2 THR 82 -11.140 15.322 22.639 641 H ALA 83 H ALA 83 -11.851 13.350 27.051 642 HA ALA 83 HA ALA 83 -13.545 10.946 27.568 643 HB1 ALA 83 1HB ALA 83 -12.767 13.015 29.603 644 HB2 ALA 83 2HB ALA 83 -11.549 11.884 29.012 645 HB3 ALA 83 3HB ALA 83 -12.999 11.279 29.815 646 HA PRO 84 HA PRO 84 -17.202 13.400 27.422 647 HB2 PRO 84 2HB PRO 84 -18.802 12.083 29.204 648 HB3 PRO 84 1HB PRO 84 -18.411 11.439 27.598 649 HG2 PRO 84 2HG PRO 84 -17.279 10.722 30.251 650 HG3 PRO 84 1HG PRO 84 -17.635 9.690 28.857 651 HD2 PRO 84 2HD PRO 84 -15.126 10.566 29.521 652 HD3 PRO 84 1HD PRO 84 -15.619 10.106 27.877 653 HA PRO 85 HA PRO 85 -17.136 16.225 30.813 654 HB2 PRO 85 2HB PRO 85 -19.721 17.111 30.927 655 HB3 PRO 85 1HB PRO 85 -18.597 17.581 29.636 656 HG2 PRO 85 2HG PRO 85 -20.758 15.532 29.612 657 HG3 PRO 85 1HG PRO 85 -20.272 16.674 28.348 658 HD2 PRO 85 2HD PRO 85 -19.570 14.044 28.341 659 HD3 PRO 85 1HD PRO 85 -18.585 15.321 27.591 660 H THR 86 H THR 86 -17.669 16.374 33.076 661 HA THR 86 HA THR 86 -19.471 14.231 34.149 662 HB THR 86 HB THR 86 -17.728 13.802 35.859 663 HG1 THR 86 1HG THR 86 -15.759 14.843 35.675 664 HG21 THR 86 3HG2 THR 86 -16.139 12.672 34.419 665 HG22 THR 86 1HG2 THR 86 -16.558 13.722 33.067 666 HG23 THR 86 2HG2 THR 86 -17.734 12.560 33.677 667 H GLY 87 H GLY 87 -20.497 14.800 36.148 668 HA2 GLY 87 2HA GLY 87 -21.467 16.276 37.694 669 HA3 GLY 87 1HA GLY 87 -19.917 17.121 37.697 670 H ALA 88 H ALA 88 -20.420 19.261 37.390 671 HA ALA 88 HA ALA 88 -21.324 21.209 36.396 672 HB1 ALA 88 1HB ALA 88 -19.924 19.876 34.604 673 HB2 ALA 88 2HB ALA 88 -20.908 21.249 34.097 674 HB3 ALA 88 3HB ALA 88 -21.501 19.604 33.862 675 H ALA 89 H ALA 89 -23.265 19.374 37.576 676 HA ALA 89 HA ALA 89 -25.634 19.898 35.809 677 HB1 ALA 89 1HB ALA 89 -24.881 17.506 36.116 678 HB2 ALA 89 2HB ALA 89 -26.533 17.811 36.652 679 HB3 ALA 89 3HB ALA 89 -25.231 17.679 37.835 680 H ASP 90 H ASP 90 -24.271 21.376 38.233 681 HA ASP 90 HA ASP 90 -26.223 21.244 40.391 682 HB2 ASP 90 2HB ASP 90 -23.906 23.006 39.592 683 HB3 ASP 90 1HB ASP 90 -24.924 23.442 40.963 684 H SER 91 H SER 91 -28.011 22.602 40.707 685 HA SER 91 HA SER 91 -29.774 24.055 40.087 686 HB2 SER 91 2HB SER 91 -27.187 25.374 39.766 687 HB3 SER 91 1HB SER 91 -28.418 26.087 38.727 688 HG SER 91 HG SER 91 -28.769 27.095 40.595 689 H ILE 92 H ILE 92 -30.774 22.665 38.516 690 HA ILE 92 HA ILE 92 -30.068 23.255 35.660 691 HB ILE 92 HB ILE 92 -30.983 20.985 35.228 692 HG12 ILE 92 2HG1 ILE 92 -31.185 20.746 38.247 693 HG13 ILE 92 1HG1 ILE 92 -32.575 21.042 37.201 694 HG21 ILE 92 1HG2 ILE 92 -28.889 21.155 37.414 695 HG22 ILE 92 2HG2 ILE 92 -28.597 21.205 35.676 696 HG23 ILE 92 3HG2 ILE 92 -29.192 19.725 36.429 697 HD11 ILE 92 3HD1 ILE 92 -30.715 18.721 36.701 698 HD12 ILE 92 1HD1 ILE 92 -32.372 18.942 36.141 699 HD13 ILE 92 2HD1 ILE 92 -32.055 18.587 37.840 700 H ARG 93 H ARG 93 -32.032 24.624 37.605 701 HA ARG 93 HA ARG 93 -34.245 24.840 35.696 702 HB2 ARG 93 2HB ARG 93 -35.927 24.024 37.347 703 HB3 ARG 93 1HB ARG 93 -34.786 22.763 36.887 704 HG2 ARG 93 2HG ARG 93 -33.439 23.339 38.939 705 HG3 ARG 93 1HG ARG 93 -34.748 24.417 39.426 706 HD2 ARG 93 2HD ARG 93 -35.372 21.555 38.721 707 HD3 ARG 93 1HD ARG 93 -34.759 21.958 40.337 708 HE ARG 93 HE ARG 93 -37.125 23.380 39.178 709 HH11 ARG 93 1HH1 ARG 93 -36.939 20.715 40.963 710 HH12 ARG 93 2HH1 ARG 93 -37.538 21.371 42.451 711 HH21 ARG 93 1HH2 ARG 93 -37.269 24.669 41.411 712 HH22 ARG 93 2HH2 ARG 93 -37.725 23.611 42.704 713 HA PRO 94 HA PRO 94 -34.494 28.782 37.634 714 HB2 PRO 94 2HB PRO 94 -37.118 29.444 37.232 715 HB3 PRO 94 1HB PRO 94 -35.910 29.448 35.932 716 HG2 PRO 94 2HG PRO 94 -37.978 27.411 36.587 717 HG3 PRO 94 1HG PRO 94 -37.411 27.978 35.009 718 HD2 PRO 94 2HD PRO 94 -36.627 25.622 36.140 719 HD3 PRO 94 1HD PRO 94 -35.635 26.539 34.984 720 HA PRO 95 HA PRO 95 -36.062 28.134 41.714 721 HB2 PRO 95 2HB PRO 95 -36.420 30.702 42.580 722 HB3 PRO 95 1HB PRO 95 -34.819 29.960 42.393 723 HG2 PRO 95 2HG PRO 95 -36.246 31.857 40.602 724 HG3 PRO 95 1HG PRO 95 -34.525 31.763 41.007 725 HD2 PRO 95 2HD PRO 95 -35.591 30.832 38.670 726 HD3 PRO 95 1HD PRO 95 -34.101 30.196 39.401 727 HA PRO 96 HA PRO 96 -40.472 28.363 41.532 728 HB2 PRO 96 2HB PRO 96 -41.139 28.442 44.186 729 HB3 PRO 96 1HB PRO 96 -40.564 26.972 43.373 730 HG2 PRO 96 2HG PRO 96 -39.071 28.883 45.105 731 HG3 PRO 96 1HG PRO 96 -38.985 27.115 45.040 732 HD2 PRO 96 2HD PRO 96 -37.134 28.725 43.884 733 HD3 PRO 96 1HD PRO 96 -37.549 27.117 43.248 734 H TYR 97 H TYR 97 -38.681 30.802 43.302 735 HA TYR 97 HA TYR 97 -40.809 32.798 42.661 736 HB2 TYR 97 2HB TYR 97 -41.059 31.966 44.994 737 HB3 TYR 97 1HB TYR 97 -39.394 32.445 45.326 738 HD1 TYR 97 1HD TYR 97 -42.783 33.685 44.490 739 HD2 TYR 97 2HD TYR 97 -38.791 34.752 45.657 740 HE1 TYR 97 1HE TYR 97 -43.543 35.995 44.977 741 HE2 TYR 97 2HE TYR 97 -39.550 37.062 46.147 742 HH TYR 97 HH TYR 97 -42.458 38.301 45.081 743 H SER 98 H SER 98 -37.489 32.313 43.916 744 HA SER 98 HA SER 98 -36.410 34.263 42.015 745 HB2 SER 98 2HB SER 98 -36.915 34.878 44.913 746 HB3 SER 98 1HB SER 98 -35.545 35.624 44.096 747 HG SER 98 HG SER 98 -36.908 36.611 42.699 748 HA PRO 99 HA PRO 99 -32.801 31.873 42.863 749 HB2 PRO 99 2HB PRO 99 -30.820 33.611 42.134 750 HB3 PRO 99 1HB PRO 99 -31.867 32.796 40.957 751 HG2 PRO 99 2HG PRO 99 -31.977 35.582 41.978 752 HG3 PRO 99 1HG PRO 99 -32.321 34.957 40.358 753 HD2 PRO 99 2HD PRO 99 -34.245 35.642 42.193 754 HD3 PRO 99 1HD PRO 99 -34.492 34.488 40.865 Start of MODEL 2 1 H1 MET 1 1HT MET 1 -11.026 -27.475 -31.228 2 H2 MET 1 2HT MET 1 -10.174 -26.784 -29.932 3 H3 MET 1 3HT MET 1 -10.264 -28.473 -30.088 4 HA MET 1 HA MET 1 -8.871 -28.476 -31.999 5 HB2 MET 1 2HB MET 1 -8.223 -26.283 -32.996 6 HB3 MET 1 1HB MET 1 -9.971 -26.522 -33.010 7 HG2 MET 1 2HG MET 1 -10.229 -25.121 -31.038 8 HG3 MET 1 1HG MET 1 -8.480 -24.973 -30.871 9 HE1 MET 1 2HE MET 1 -9.163 -22.817 -30.461 10 HE2 MET 1 3HE MET 1 -10.255 -21.851 -31.448 11 HE3 MET 1 1HE MET 1 -8.504 -21.673 -31.627 12 H GLY 2 H GLY 2 -6.504 -27.295 -32.093 13 HA2 GLY 2 2HA GLY 2 -4.479 -26.940 -30.963 14 HA3 GLY 2 1HA GLY 2 -5.433 -26.234 -29.658 15 H ASN 3 H ASN 3 -4.773 -27.248 -27.820 16 HA ASN 3 HA ASN 3 -4.322 -30.200 -27.865 17 HB2 ASN 3 2HB ASN 3 -3.582 -27.943 -25.982 18 HB3 ASN 3 1HB ASN 3 -3.256 -29.639 -25.623 19 HD21 ASN 3 1HD2 ASN 3 -1.159 -27.664 -26.000 20 HD22 ASN 3 2HD2 ASN 3 -0.287 -28.102 -27.388 21 H LYS 4 H LYS 4 -5.551 -31.566 -26.539 22 HA LYS 4 HA LYS 4 -8.001 -30.362 -25.323 23 HB2 LYS 4 2HB LYS 4 -7.204 -33.164 -26.179 24 HB3 LYS 4 1HB LYS 4 -8.756 -32.769 -25.442 25 HG2 LYS 4 2HG LYS 4 -9.281 -31.237 -27.269 26 HG3 LYS 4 1HG LYS 4 -7.694 -31.510 -27.987 27 HD2 LYS 4 2HD LYS 4 -9.156 -32.935 -29.201 28 HD3 LYS 4 1HD LYS 4 -8.340 -34.000 -28.057 29 HE2 LYS 4 2HE LYS 4 -10.251 -34.001 -26.574 30 HE3 LYS 4 1HE LYS 4 -11.048 -32.730 -27.524 31 HZ1 LYS 4 3HZ LYS 4 -11.187 -34.153 -29.396 32 HZ2 LYS 4 1HZ LYS 4 -11.766 -35.050 -28.078 33 HZ3 LYS 4 2HZ LYS 4 -10.199 -35.332 -28.672 34 H GLN 5 H GLN 5 -8.500 -30.744 -23.127 35 HA GLN 5 HA GLN 5 -6.289 -31.938 -21.485 36 HB2 GLN 5 2HB GLN 5 -6.856 -29.459 -21.334 37 HB3 GLN 5 1HB GLN 5 -8.414 -29.940 -20.659 38 HG2 GLN 5 2HG GLN 5 -6.927 -29.492 -18.808 39 HG3 GLN 5 1HG GLN 5 -7.153 -31.240 -18.898 40 HE21 GLN 5 1HE2 GLN 5 -5.121 -32.033 -18.226 41 HE22 GLN 5 2HE2 GLN 5 -3.648 -31.605 -18.955 42 H ALA 6 H ALA 6 -8.091 -33.762 -22.518 43 HA ALA 6 HA ALA 6 -10.464 -34.233 -20.986 44 HB1 ALA 6 1HB ALA 6 -8.672 -36.331 -22.230 45 HB2 ALA 6 2HB ALA 6 -9.660 -35.243 -23.206 46 HB3 ALA 6 3HB ALA 6 -10.429 -36.359 -22.078 47 H LYS 7 H LYS 7 -7.076 -35.027 -20.408 48 HA LYS 7 HA LYS 7 -7.384 -36.980 -18.348 49 HB2 LYS 7 2HB LYS 7 -5.291 -36.364 -19.565 50 HB3 LYS 7 1HB LYS 7 -5.259 -34.837 -18.683 51 HG2 LYS 7 2HG LYS 7 -5.099 -36.035 -16.555 52 HG3 LYS 7 1HG LYS 7 -5.211 -37.582 -17.396 53 HD2 LYS 7 2HD LYS 7 -3.124 -37.059 -18.621 54 HD3 LYS 7 1HD LYS 7 -3.003 -35.532 -17.746 55 HE2 LYS 7 2HE LYS 7 -3.100 -38.244 -16.379 56 HE3 LYS 7 1HE LYS 7 -1.600 -37.362 -16.728 57 HZ1 LYS 7 3HZ LYS 7 -3.876 -36.472 -15.044 58 HZ2 LYS 7 1HZ LYS 7 -2.672 -35.410 -15.592 59 HZ3 LYS 7 2HZ LYS 7 -2.262 -36.703 -14.569 60 H ALA 8 H ALA 8 -7.105 -33.416 -18.133 61 HA ALA 8 HA ALA 8 -8.513 -33.516 -15.508 62 HB1 ALA 8 1HB ALA 8 -6.285 -33.529 -14.764 63 HB2 ALA 8 2HB ALA 8 -6.652 -31.804 -14.796 64 HB3 ALA 8 3HB ALA 8 -5.732 -32.534 -16.111 65 HA PRO 9 HA PRO 9 -9.816 -30.074 -18.367 66 HB2 PRO 9 2HB PRO 9 -12.512 -30.479 -18.102 67 HB3 PRO 9 1HB PRO 9 -11.521 -31.309 -19.319 68 HG2 PRO 9 2HG PRO 9 -12.509 -32.299 -16.690 69 HG3 PRO 9 1HG PRO 9 -12.390 -33.143 -18.242 70 HD2 PRO 9 2HD PRO 9 -10.597 -33.480 -16.231 71 HD3 PRO 9 1HD PRO 9 -10.174 -33.649 -17.949 72 H GLU 10 H GLU 10 -10.618 -31.061 -15.112 73 HA GLU 10 HA GLU 10 -12.121 -28.781 -14.250 74 HB2 GLU 10 2HB GLU 10 -10.266 -30.722 -12.837 75 HB3 GLU 10 1HB GLU 10 -11.299 -29.571 -11.987 76 HG2 GLU 10 2HG GLU 10 -13.293 -30.561 -13.013 77 HG3 GLU 10 1HG GLU 10 -12.286 -31.674 -13.937 78 H SER 11 H SER 11 -8.605 -29.476 -13.974 79 HA SER 11 HA SER 11 -6.786 -28.021 -13.556 80 HB2 SER 11 2HB SER 11 -6.705 -26.366 -15.189 81 HB3 SER 11 1HB SER 11 -8.031 -27.340 -15.810 82 HG SER 11 HG SER 11 -8.052 -24.790 -15.089 83 H LYS 12 H LYS 12 -9.125 -28.028 -11.604 84 HA LYS 12 HA LYS 12 -8.447 -25.460 -10.224 85 HB2 LYS 12 2HB LYS 12 -10.874 -25.189 -9.752 86 HB3 LYS 12 1HB LYS 12 -10.552 -25.201 -11.486 87 HG2 LYS 12 2HG LYS 12 -11.137 -27.620 -11.555 88 HG3 LYS 12 1HG LYS 12 -11.524 -27.557 -9.836 89 HD2 LYS 12 2HD LYS 12 -13.258 -25.864 -10.280 90 HD3 LYS 12 1HD LYS 12 -12.869 -25.912 -11.999 91 HE2 LYS 12 2HE LYS 12 -13.494 -28.308 -12.079 92 HE3 LYS 12 1HE LYS 12 -13.905 -28.250 -10.353 93 HZ1 LYS 12 3HZ LYS 12 -15.870 -27.838 -11.690 94 HZ2 LYS 12 1HZ LYS 12 -15.093 -26.562 -12.493 95 HZ3 LYS 12 2HZ LYS 12 -15.445 -26.432 -10.835 96 H ASP 13 H ASP 13 -9.176 -25.553 -7.865 97 HA ASP 13 HA ASP 13 -9.099 -26.616 -5.758 98 HB2 ASP 13 2HB ASP 13 -11.082 -27.728 -7.303 99 HB3 ASP 13 1HB ASP 13 -10.155 -29.156 -6.847 100 H SER 14 H SER 14 -6.690 -26.719 -7.151 101 HA SER 14 HA SER 14 -5.272 -28.848 -5.872 102 HB2 SER 14 2HB SER 14 -5.982 -30.505 -7.299 103 HB3 SER 14 1HB SER 14 -6.463 -29.360 -8.544 104 HG SER 14 HG SER 14 -3.938 -30.497 -8.009 105 HA PRO 15 HA PRO 15 -2.296 -26.709 -8.948 106 HB2 PRO 15 2HB PRO 15 -3.331 -24.952 -10.779 107 HB3 PRO 15 1HB PRO 15 -3.099 -26.680 -11.110 108 HG2 PRO 15 2HG PRO 15 -5.579 -25.216 -10.352 109 HG3 PRO 15 1HG PRO 15 -5.353 -26.522 -11.525 110 HD2 PRO 15 2HD PRO 15 -6.383 -26.933 -9.062 111 HD3 PRO 15 1HD PRO 15 -5.434 -28.162 -9.922 112 H ARG 16 H ARG 16 -5.071 -24.997 -7.682 113 HA ARG 16 HA ARG 16 -3.474 -22.520 -7.243 114 HB2 ARG 16 2HB ARG 16 -6.397 -23.251 -6.886 115 HB3 ARG 16 1HB ARG 16 -5.731 -21.645 -6.582 116 HG2 ARG 16 2HG ARG 16 -5.002 -21.465 -8.903 117 HG3 ARG 16 1HG ARG 16 -5.546 -23.111 -9.229 118 HD2 ARG 16 2HD ARG 16 -7.245 -21.521 -10.017 119 HD3 ARG 16 1HD ARG 16 -7.882 -22.400 -8.613 120 HE ARG 16 HE ARG 16 -6.470 -20.037 -7.752 121 HH11 ARG 16 1HH1 ARG 16 -9.441 -21.476 -7.760 122 HH12 ARG 16 2HH1 ARG 16 -10.373 -20.017 -7.845 123 HH21 ARG 16 1HH2 ARG 16 -7.632 -17.994 -8.495 124 HH22 ARG 16 2HH2 ARG 16 -9.346 -18.045 -8.261 125 H ALA 17 H ALA 17 -3.924 -25.403 -5.613 126 HA ALA 17 HA ALA 17 -3.750 -26.035 -3.348 127 HB1 ALA 17 1HB ALA 17 -2.585 -23.282 -2.915 128 HB2 ALA 17 2HB ALA 17 -1.713 -24.487 -3.864 129 HB3 ALA 17 3HB ALA 17 -2.102 -24.808 -2.174 130 H SER 18 H SER 18 -4.226 -25.017 -1.000 131 HA SER 18 HA SER 18 -6.687 -23.294 -1.194 132 HB2 SER 18 2HB SER 18 -6.264 -25.679 0.631 133 HB3 SER 18 1HB SER 18 -7.766 -24.797 0.369 134 HG SER 18 HG SER 18 -6.883 -26.891 -0.946 135 H LEU 19 H LEU 19 -3.895 -22.543 -0.447 136 HA LEU 19 HA LEU 19 -4.143 -22.200 2.502 137 HB2 LEU 19 2HB LEU 19 -2.018 -22.519 0.528 138 HB3 LEU 19 1HB LEU 19 -1.700 -21.162 1.607 139 HG LEU 19 HG LEU 19 -0.781 -23.310 2.517 140 HD11 LEU 19 1HD1 LEU 19 -1.290 -22.619 4.636 141 HD12 LEU 19 2HD1 LEU 19 -3.019 -22.886 4.401 142 HD13 LEU 19 3HD1 LEU 19 -2.277 -21.381 3.862 143 HD21 LEU 19 3HD2 LEU 19 -2.844 -24.565 1.424 144 HD22 LEU 19 1HD2 LEU 19 -3.602 -24.234 2.983 145 HD23 LEU 19 2HD2 LEU 19 -2.125 -25.194 2.909 146 H ILE 20 H ILE 20 -4.331 -20.332 -0.439 147 HA ILE 20 HA ILE 20 -4.972 -17.963 1.241 148 HB ILE 20 HB ILE 20 -2.583 -17.867 0.552 149 HG12 ILE 20 2HG1 ILE 20 -2.991 -15.634 -0.874 150 HG13 ILE 20 1HG1 ILE 20 -4.640 -15.909 -0.319 151 HG21 ILE 20 1HG2 ILE 20 -3.298 -17.340 -2.278 152 HG22 ILE 20 2HG2 ILE 20 -3.335 -19.030 -1.771 153 HG23 ILE 20 3HG2 ILE 20 -1.854 -18.087 -1.596 154 HD11 ILE 20 3HD1 ILE 20 -4.093 -15.624 1.915 155 HD12 ILE 20 1HD1 ILE 20 -2.932 -14.527 1.165 156 HD13 ILE 20 2HD1 ILE 20 -2.422 -16.135 1.675 157 HA PRO 21 HA PRO 21 -7.834 -18.966 -2.321 158 HB2 PRO 21 2HB PRO 21 -10.070 -19.465 -0.833 159 HB3 PRO 21 1HB PRO 21 -8.885 -20.724 -1.237 160 HG2 PRO 21 2HG PRO 21 -9.243 -19.208 1.296 161 HG3 PRO 21 1HG PRO 21 -8.818 -20.908 1.046 162 HD2 PRO 21 2HD PRO 21 -7.013 -18.959 1.687 163 HD3 PRO 21 1HD PRO 21 -6.597 -20.450 0.815 164 H ASP 22 H ASP 22 -9.692 -17.613 -2.959 165 HA ASP 22 HA ASP 22 -10.756 -15.516 -3.149 166 HB2 ASP 22 2HB ASP 22 -10.687 -16.153 -0.204 167 HB3 ASP 22 1HB ASP 22 -11.394 -14.636 -0.758 168 H ALA 23 H ALA 23 -7.812 -15.557 -3.139 169 HA ALA 23 HA ALA 23 -7.342 -12.743 -2.232 170 HB1 ALA 23 1HB ALA 23 -6.466 -14.939 -0.871 171 HB2 ALA 23 2HB ALA 23 -5.626 -13.388 -0.864 172 HB3 ALA 23 3HB ALA 23 -5.107 -14.666 -1.962 173 H THR 24 H THR 24 -7.917 -13.522 -4.886 174 HA THR 24 HA THR 24 -5.620 -14.122 -6.500 175 HB THR 24 HB THR 24 -7.106 -13.129 -8.297 176 HG1 THR 24 1HG THR 24 -8.314 -11.619 -7.426 177 HG21 THR 24 3HG2 THR 24 -8.904 -14.802 -8.002 178 HG22 THR 24 1HG2 THR 24 -8.419 -15.017 -6.320 179 HG23 THR 24 2HG2 THR 24 -7.324 -15.485 -7.621 180 H HIS 25 H HIS 25 -7.061 -11.037 -5.468 181 HA HIS 25 HA HIS 25 -5.304 -9.317 -6.952 182 HB2 HIS 25 2HB HIS 25 -6.231 -7.593 -5.468 183 HB3 HIS 25 1HB HIS 25 -7.511 -8.708 -5.934 184 HD2 HIS 25 2HD HIS 25 -5.826 -7.404 -2.717 185 HE1 HIS 25 1HE HIS 25 -8.202 -10.700 -1.566 186 HE2 HIS 25 2HE HIS 25 -6.822 -8.748 -0.718 187 H LEU 26 H LEU 26 -5.134 -10.650 -3.656 188 HA LEU 26 HA LEU 26 -2.337 -9.596 -3.449 189 HB2 LEU 26 2HB LEU 26 -4.626 -9.986 -1.571 190 HB3 LEU 26 1HB LEU 26 -3.000 -10.182 -0.918 191 HG LEU 26 HG LEU 26 -3.878 -7.768 -2.521 192 HD11 LEU 26 1HD1 LEU 26 -4.946 -8.305 -0.139 193 HD12 LEU 26 2HD1 LEU 26 -4.451 -6.668 -0.565 194 HD13 LEU 26 3HD1 LEU 26 -3.401 -7.677 0.431 195 HD21 LEU 26 3HD2 LEU 26 -1.593 -7.625 -2.608 196 HD22 LEU 26 1HD2 LEU 26 -1.372 -8.710 -1.236 197 HD23 LEU 26 2HD2 LEU 26 -1.774 -7.014 -0.964 198 H GLY 27 H GLY 27 -1.095 -11.324 -4.190 199 HA2 GLY 27 2HA GLY 27 -1.456 -13.919 -2.746 200 HA3 GLY 27 1HA GLY 27 -1.136 -13.890 -4.481 201 HA PRO 28 HA PRO 28 3.146 -13.992 -3.488 202 HB2 PRO 28 2HB PRO 28 4.225 -12.856 -5.727 203 HB3 PRO 28 1HB PRO 28 3.557 -14.501 -5.708 204 HG2 PRO 28 2HG PRO 28 2.325 -11.971 -6.686 205 HG3 PRO 28 1HG PRO 28 2.268 -13.598 -7.383 206 HD2 PRO 28 2HD PRO 28 0.221 -12.528 -5.955 207 HD3 PRO 28 1HD PRO 28 0.557 -14.272 -6.012 208 H GLN 29 H GLN 29 4.662 -12.623 -2.515 209 HA GLN 29 HA GLN 29 4.132 -9.685 -2.741 210 HB2 GLN 29 2HB GLN 29 4.746 -9.612 -0.287 211 HB3 GLN 29 1HB GLN 29 3.239 -10.448 -0.640 212 HG2 GLN 29 2HG GLN 29 5.650 -12.167 -0.652 213 HG3 GLN 29 1HG GLN 29 5.223 -11.486 0.918 214 HE21 GLN 29 1HE2 GLN 29 4.874 -14.304 -0.454 215 HE22 GLN 29 2HE2 GLN 29 3.262 -14.695 -0.093 216 H PHE 30 H PHE 30 5.842 -9.338 -4.155 217 HA PHE 30 HA PHE 30 8.576 -9.600 -2.963 218 HB2 PHE 30 2HB PHE 30 7.585 -10.368 -5.726 219 HB3 PHE 30 1HB PHE 30 9.297 -10.178 -5.346 220 HD1 PHE 30 1HD PHE 30 6.249 -12.151 -4.658 221 HD2 PHE 30 2HD PHE 30 10.467 -11.765 -3.949 222 HE1 PHE 30 1HE PHE 30 6.298 -14.440 -3.705 223 HE2 PHE 30 2HE PHE 30 10.517 -14.053 -2.999 224 HZ PHE 30 HZ PHE 30 8.433 -15.391 -2.874 225 H CYS 31 H CYS 31 9.764 -7.675 -3.214 226 HA CYS 31 HA CYS 31 8.389 -5.352 -4.349 227 HB2 CYS 31 2HB CYS 31 10.026 -5.578 -2.313 228 HB3 CYS 31 1HB CYS 31 11.290 -5.462 -3.535 229 HG CYS 31 HG CYS 31 10.765 -3.019 -2.840 230 H LYS 32 H LYS 32 8.324 -5.157 -6.538 231 HA LYS 32 HA LYS 32 10.575 -6.159 -8.195 232 HB2 LYS 32 2HB LYS 32 8.194 -6.716 -8.683 233 HB3 LYS 32 1HB LYS 32 7.858 -4.999 -8.901 234 HG2 LYS 32 2HG LYS 32 8.212 -6.003 -11.085 235 HG3 LYS 32 1HG LYS 32 9.578 -4.948 -10.726 236 HD2 LYS 32 2HD LYS 32 10.921 -6.866 -10.023 237 HD3 LYS 32 1HD LYS 32 9.546 -7.945 -10.265 238 HE2 LYS 32 2HE LYS 32 9.529 -7.404 -12.676 239 HE3 LYS 32 1HE LYS 32 10.907 -6.312 -12.438 240 HZ1 LYS 32 3HZ LYS 32 12.080 -8.233 -11.391 241 HZ2 LYS 32 1HZ LYS 32 11.789 -8.418 -13.052 242 HZ3 LYS 32 2HZ LYS 32 10.816 -9.235 -11.924 243 H SER 33 H SER 33 9.566 -3.218 -6.744 244 HA SER 33 HA SER 33 10.328 -1.386 -8.859 245 HB2 SER 33 2HB SER 33 10.105 0.258 -7.020 246 HB3 SER 33 1HB SER 33 8.755 -0.873 -7.037 247 HG SER 33 HG SER 33 10.630 -0.436 -5.133 248 H CYS 34 H CYS 34 11.924 -1.875 -5.649 249 HA CYS 34 HA CYS 34 14.418 -0.799 -6.746 250 HB2 CYS 34 2HB CYS 34 15.204 -0.950 -4.447 251 HB3 CYS 34 1HB CYS 34 13.576 -0.288 -4.464 252 HG CYS 34 HG CYS 34 12.682 -2.590 -3.619 253 H TRP 35 H TRP 35 13.350 -4.027 -5.599 254 HA TRP 35 HA TRP 35 14.897 -5.556 -7.407 255 HB2 TRP 35 2HB TRP 35 16.740 -6.267 -5.740 256 HB3 TRP 35 1HB TRP 35 16.929 -4.679 -6.473 257 HD1 TRP 35 HD TRP 35 15.429 -6.222 -3.243 258 HE1 TRP 35 1HE TRP 35 15.773 -4.537 -1.326 259 HE3 TRP 35 3HE TRP 35 17.592 -2.366 -5.813 260 HZ2 TRP 35 2HZ TRP 35 16.824 -1.912 -0.926 261 HZ3 TRP 35 3HZ TRP 35 18.253 -0.289 -4.637 262 HH2 TRP 35 HH TRP 35 17.874 -0.057 -2.197 263 H PHE 36 H PHE 36 15.124 -7.883 -6.617 264 HA PHE 36 HA PHE 36 12.711 -8.674 -5.182 265 HB2 PHE 36 2HB PHE 36 13.441 -10.926 -5.781 266 HB3 PHE 36 1HB PHE 36 13.698 -9.863 -7.158 267 HD1 PHE 36 1HD PHE 36 15.982 -9.205 -7.837 268 HD2 PHE 36 2HD PHE 36 15.311 -11.862 -4.527 269 HE1 PHE 36 1HE PHE 36 18.368 -9.876 -7.889 270 HE2 PHE 36 2HE PHE 36 17.700 -12.527 -4.578 271 HZ PHE 36 HZ PHE 36 19.229 -11.535 -6.259 272 H GLU 37 H GLU 37 12.567 -8.876 -2.984 273 HA GLU 37 HA GLU 37 14.719 -10.033 -1.385 274 HB2 GLU 37 2HB GLU 37 15.527 -7.729 -1.835 275 HB3 GLU 37 1HB GLU 37 14.046 -7.085 -1.127 276 HG2 GLU 37 2HG GLU 37 14.587 -8.074 1.023 277 HG3 GLU 37 1HG GLU 37 16.003 -8.872 0.348 278 H ASN 38 H ASN 38 13.659 -11.134 0.205 279 HA ASN 38 HA ASN 38 10.942 -10.216 1.057 280 HB2 ASN 38 2HB ASN 38 12.424 -12.857 1.154 281 HB3 ASN 38 1HB ASN 38 10.838 -12.612 1.888 282 HD21 ASN 38 1HD2 ASN 38 9.407 -11.180 0.068 283 HD22 ASN 38 2HD2 ASN 38 9.341 -11.967 -1.434 284 H LYS 39 H LYS 39 13.884 -9.513 2.062 285 HA LYS 39 HA LYS 39 14.190 -10.446 4.733 286 HB2 LYS 39 2HB LYS 39 15.882 -9.295 3.312 287 HB3 LYS 39 1HB LYS 39 14.976 -7.792 3.485 288 HG2 LYS 39 2HG LYS 39 15.297 -7.856 5.919 289 HG3 LYS 39 1HG LYS 39 16.164 -9.386 5.773 290 HD2 LYS 39 2HD LYS 39 17.880 -8.290 4.381 291 HD3 LYS 39 1HD LYS 39 17.014 -6.759 4.516 292 HE2 LYS 39 2HE LYS 39 18.846 -6.817 6.159 293 HE3 LYS 39 1HE LYS 39 17.293 -6.881 7.014 294 HZ1 LYS 39 3HZ LYS 39 18.999 -8.620 7.661 295 HZ2 LYS 39 1HZ LYS 39 18.720 -9.330 6.147 296 HZ3 LYS 39 2HZ LYS 39 17.450 -9.195 7.268 297 H GLY 40 H GLY 40 12.602 -7.472 3.516 298 HA2 GLY 40 2HA GLY 40 10.872 -7.434 5.908 299 HA3 GLY 40 1HA GLY 40 11.953 -6.052 5.730 300 H LEU 41 H LEU 41 9.921 -7.951 3.493 301 HA LEU 41 HA LEU 41 9.268 -5.626 1.884 302 HB2 LEU 41 2HB LEU 41 9.444 -7.923 1.021 303 HB3 LEU 41 1HB LEU 41 8.091 -8.415 2.041 304 HG LEU 41 HG LEU 41 6.685 -6.675 0.868 305 HD11 LEU 41 1HD1 LEU 41 9.183 -6.539 -0.828 306 HD12 LEU 41 2HD1 LEU 41 8.378 -5.209 0.004 307 HD13 LEU 41 3HD1 LEU 41 7.611 -5.971 -1.391 308 HD21 LEU 41 3HD2 LEU 41 7.949 -8.841 -0.831 309 HD22 LEU 41 1HD2 LEU 41 6.427 -8.029 -1.196 310 HD23 LEU 41 2HD2 LEU 41 6.566 -9.040 0.243 311 H VAL 42 H VAL 42 7.296 -4.531 1.765 312 HA VAL 42 HA VAL 42 5.367 -4.955 4.023 313 HB VAL 42 HB VAL 42 6.194 -2.436 2.527 314 HG11 VAL 42 1HG1 VAL 42 4.063 -1.875 3.197 315 HG12 VAL 42 2HG1 VAL 42 4.919 -1.522 4.699 316 HG13 VAL 42 3HG1 VAL 42 4.054 -3.048 4.514 317 HG21 VAL 42 3HG2 VAL 42 7.842 -3.497 4.184 318 HG22 VAL 42 1HG2 VAL 42 6.662 -3.118 5.438 319 HG23 VAL 42 2HG2 VAL 42 7.396 -1.820 4.495 320 H GLU 43 H GLU 43 3.340 -5.541 3.286 321 HA GLU 43 HA GLU 43 2.840 -5.490 0.372 322 HB2 GLU 43 2HB GLU 43 1.476 -6.720 2.775 323 HB3 GLU 43 1HB GLU 43 0.869 -6.894 1.128 324 HG2 GLU 43 2HG GLU 43 2.943 -7.950 0.423 325 HG3 GLU 43 1HG GLU 43 3.663 -7.674 2.007 326 H CYS 44 H CYS 44 2.000 -3.612 -0.391 327 HA CYS 44 HA CYS 44 0.166 -1.860 1.064 328 HB2 CYS 44 2HB CYS 44 1.719 -1.812 -1.271 329 HB3 CYS 44 1HB CYS 44 0.070 -1.865 -1.878 330 HG CYS 44 HG CYS 44 -0.366 0.294 -0.296 331 H ASN 45 H ASN 45 -2.226 -1.645 -0.002 332 HA ASN 45 HA ASN 45 -3.633 -4.080 0.336 333 HB2 ASN 45 2HB ASN 45 -4.203 -1.568 -1.256 334 HB3 ASN 45 1HB ASN 45 -5.406 -2.838 -1.039 335 HD21 ASN 45 1HD2 ASN 45 -5.752 -0.174 0.028 336 HD22 ASN 45 2HD2 ASN 45 -5.744 -0.287 1.723 337 H ASN 46 H ASN 46 -3.317 -2.530 -2.885 338 HA ASN 46 HA ASN 46 -3.116 -5.262 -4.097 339 HB2 ASN 46 2HB ASN 46 -4.211 -2.599 -4.984 340 HB3 ASN 46 1HB ASN 46 -3.829 -3.853 -6.167 341 HD21 ASN 46 1HD2 ASN 46 -5.538 -3.625 -2.979 342 HD22 ASN 46 2HD2 ASN 46 -6.806 -4.659 -3.428 343 H HIS 47 H HIS 47 -0.833 -3.639 -2.950 344 HA HIS 47 HA HIS 47 0.915 -3.686 -5.365 345 HB2 HIS 47 2HB HIS 47 0.202 -1.469 -5.466 346 HB3 HIS 47 1HB HIS 47 -0.021 -1.345 -3.733 347 HD2 HIS 47 2HD HIS 47 3.427 -2.190 -5.526 348 HE1 HIS 47 1HE HIS 47 3.852 1.381 -3.312 349 HE2 HIS 47 2HE HIS 47 5.052 -0.312 -4.776 350 H TYR 48 H TYR 48 3.204 -3.989 -4.789 351 HA TYR 48 HA TYR 48 3.662 -4.629 -1.887 352 HB2 TYR 48 2HB TYR 48 4.855 -5.858 -4.386 353 HB3 TYR 48 1HB TYR 48 5.219 -6.346 -2.734 354 HD1 TYR 48 2HD TYR 48 3.043 -6.886 -1.254 355 HD2 TYR 48 1HD TYR 48 3.250 -7.045 -5.539 356 HE1 TYR 48 2HE TYR 48 1.103 -8.434 -1.290 357 HE2 TYR 48 1HE TYR 48 1.315 -8.591 -5.579 358 HH TYR 48 HH TYR 48 -0.536 -9.253 -4.223 359 H LEU 49 H LEU 49 5.250 -3.454 -0.920 360 HA LEU 49 HA LEU 49 7.649 -2.622 -2.467 361 HB2 LEU 49 2HB LEU 49 5.553 -0.858 -1.360 362 HB3 LEU 49 1HB LEU 49 7.183 -0.427 -0.842 363 HG LEU 49 HG LEU 49 6.439 -0.931 -3.728 364 HD11 LEU 49 1HD1 LEU 49 7.056 1.826 -2.822 365 HD12 LEU 49 2HD1 LEU 49 5.510 1.190 -2.267 366 HD13 LEU 49 3HD1 LEU 49 5.859 1.277 -3.992 367 HD21 LEU 49 3HD2 LEU 49 8.587 -0.215 -4.254 368 HD22 LEU 49 1HD2 LEU 49 8.871 -1.078 -2.743 369 HD23 LEU 49 2HD2 LEU 49 8.764 0.682 -2.747 370 H CYS 50 H CYS 50 9.517 -2.337 -0.991 371 HA CYS 50 HA CYS 50 9.046 -3.706 1.605 372 HB2 CYS 50 2HB CYS 50 11.386 -4.329 1.497 373 HB3 CYS 50 1HB CYS 50 10.636 -4.694 -0.050 374 HG CYS 50 HG CYS 50 11.813 -2.619 -1.077 375 H LEU 51 H LEU 51 10.080 -2.893 3.500 376 HA LEU 51 HA LEU 51 9.658 -0.151 3.994 377 HB2 LEU 51 2HB LEU 51 9.884 -2.219 5.551 378 HB3 LEU 51 1HB LEU 51 11.611 -1.860 5.527 379 HG LEU 51 HG LEU 51 11.003 0.519 6.200 380 HD11 LEU 51 1HD1 LEU 51 8.664 0.343 7.503 381 HD12 LEU 51 2HD1 LEU 51 8.329 -0.798 6.202 382 HD13 LEU 51 3HD1 LEU 51 8.760 0.868 5.821 383 HD21 LEU 51 3HD2 LEU 51 11.896 -0.695 7.976 384 HD22 LEU 51 1HD2 LEU 51 10.633 -1.923 7.904 385 HD23 LEU 51 2HD2 LEU 51 10.288 -0.343 8.607 386 H ASN 52 H ASN 52 12.506 -1.816 2.800 387 HA ASN 52 HA ASN 52 14.512 0.095 3.439 388 HB2 ASN 52 2HB ASN 52 14.221 -1.648 0.970 389 HB3 ASN 52 1HB ASN 52 15.729 -0.983 1.590 390 HD21 ASN 52 1HD2 ASN 52 14.665 -3.886 1.322 391 HD22 ASN 52 2HD2 ASN 52 14.925 -4.551 2.862 392 H CYS 53 H CYS 53 12.554 -0.160 0.410 393 HA CYS 53 HA CYS 53 13.493 2.560 -0.364 394 HB2 CYS 53 2HB CYS 53 12.473 2.007 -2.529 395 HB3 CYS 53 1HB CYS 53 13.537 0.708 -2.003 396 HG CYS 53 HG CYS 53 11.595 -0.800 -2.177 397 H LEU 54 H LEU 54 10.659 0.893 0.813 398 HA LEU 54 HA LEU 54 8.621 2.776 0.170 399 HB2 LEU 54 2HB LEU 54 8.314 0.481 1.065 400 HB3 LEU 54 1HB LEU 54 8.981 1.005 2.606 401 HG LEU 54 HG LEU 54 6.628 2.426 1.411 402 HD11 LEU 54 1HD1 LEU 54 6.667 -0.171 2.952 403 HD12 LEU 54 2HD1 LEU 54 5.873 0.160 1.412 404 HD13 LEU 54 3HD1 LEU 54 5.243 0.868 2.900 405 HD21 LEU 54 3HD2 LEU 54 7.981 2.201 4.064 406 HD22 LEU 54 1HD2 LEU 54 6.227 2.394 4.075 407 HD23 LEU 54 2HD2 LEU 54 7.244 3.609 3.300 408 H THR 55 H THR 55 10.802 2.576 2.976 409 HA THR 55 HA THR 55 9.726 4.788 4.451 410 HB THR 55 HB THR 55 12.496 3.559 4.278 411 HG1 THR 55 1HG THR 55 10.268 3.137 5.962 412 HG21 THR 55 3HG2 THR 55 12.359 4.507 6.801 413 HG22 THR 55 1HG2 THR 55 11.376 5.723 5.986 414 HG23 THR 55 2HG2 THR 55 13.040 5.447 5.472 415 H LEU 56 H LEU 56 12.303 4.630 1.974 416 HA LEU 56 HA LEU 56 13.176 7.337 2.118 417 HB2 LEU 56 2HB LEU 56 14.368 5.592 0.904 418 HB3 LEU 56 1HB LEU 56 12.996 5.350 -0.174 419 HG LEU 56 HG LEU 56 13.276 7.622 -1.066 420 HD11 LEU 56 1HD1 LEU 56 15.190 9.004 -0.409 421 HD12 LEU 56 2HD1 LEU 56 15.719 7.765 0.729 422 HD13 LEU 56 3HD1 LEU 56 14.212 8.636 1.012 423 HD21 LEU 56 3HD2 LEU 56 15.282 7.228 -2.332 424 HD22 LEU 56 1HD2 LEU 56 14.570 5.649 -1.998 425 HD23 LEU 56 2HD2 LEU 56 15.954 6.208 -1.059 426 H LEU 57 H LEU 57 10.571 5.863 0.166 427 HA LEU 57 HA LEU 57 9.672 8.567 -0.723 428 HB2 LEU 57 2HB LEU 57 9.244 5.708 -1.545 429 HB3 LEU 57 1HB LEU 57 8.076 6.933 -2.040 430 HG LEU 57 HG LEU 57 10.939 7.616 -2.450 431 HD11 LEU 57 1HD1 LEU 57 9.512 5.685 -4.301 432 HD12 LEU 57 2HD1 LEU 57 10.703 5.170 -3.105 433 HD13 LEU 57 3HD1 LEU 57 11.179 6.248 -4.419 434 HD21 LEU 57 3HD2 LEU 57 8.453 7.809 -4.190 435 HD22 LEU 57 1HD2 LEU 57 10.002 8.596 -4.502 436 HD23 LEU 57 2HD2 LEU 57 9.030 9.082 -3.112 437 H LEU 58 H LEU 58 9.161 6.754 1.976 438 HA LEU 58 HA LEU 58 7.393 6.617 3.540 439 HB2 LEU 58 2HB LEU 58 7.063 9.058 2.041 440 HB3 LEU 58 1HB LEU 58 5.479 8.376 2.401 441 HG LEU 58 HG LEU 58 6.228 9.885 4.196 442 HD11 LEU 58 1HD1 LEU 58 6.387 7.080 5.262 443 HD12 LEU 58 2HD1 LEU 58 4.886 7.734 4.609 444 HD13 LEU 58 3HD1 LEU 58 5.647 8.498 6.005 445 HD21 LEU 58 3HD2 LEU 58 8.213 9.603 5.405 446 HD22 LEU 58 1HD2 LEU 58 8.716 9.228 3.756 447 HD23 LEU 58 2HD2 LEU 58 8.391 7.923 4.897 448 H SER 59 H SER 59 5.246 5.590 3.707 449 HA SER 59 HA SER 59 4.703 3.764 1.511 450 HB2 SER 59 2HB SER 59 2.808 3.104 2.961 451 HB3 SER 59 1HB SER 59 4.277 3.283 3.916 452 HG SER 59 HG SER 59 1.936 4.680 4.006 453 H VAL 60 H VAL 60 2.774 6.365 2.977 454 HA VAL 60 HA VAL 60 1.946 7.334 0.299 455 HB VAL 60 HB VAL 60 -0.447 7.222 0.994 456 HG11 VAL 60 1HG1 VAL 60 0.932 5.341 -0.246 457 HG12 VAL 60 2HG1 VAL 60 -0.730 5.040 0.255 458 HG13 VAL 60 3HG1 VAL 60 0.609 4.425 1.226 459 HG21 VAL 60 3HG2 VAL 60 0.142 5.207 3.093 460 HG22 VAL 60 1HG2 VAL 60 -1.136 6.420 3.023 461 HG23 VAL 60 2HG2 VAL 60 0.490 6.882 3.524 462 H SER 61 H SER 61 3.636 8.802 1.801 463 HA SER 61 HA SER 61 2.697 10.384 3.948 464 HB2 SER 61 2HB SER 61 4.978 10.296 2.701 465 HB3 SER 61 1HB SER 61 4.283 11.512 1.639 466 HG SER 61 HG SER 61 5.235 11.738 4.176 467 H ASN 62 H ASN 62 2.301 10.879 0.470 468 HA ASN 62 HA ASN 62 0.031 12.753 1.032 469 HB2 ASN 62 2HB ASN 62 2.184 13.777 0.110 470 HB3 ASN 62 1HB ASN 62 1.920 12.813 -1.344 471 HD21 ASN 62 1HD2 ASN 62 1.594 14.841 -2.595 472 HD22 ASN 62 2HD2 ASN 62 0.133 15.696 -2.465 473 H ARG 63 H ARG 63 1.520 10.526 -1.322 474 HA ARG 63 HA ARG 63 -1.086 9.238 -1.821 475 HB2 ARG 63 2HB ARG 63 -1.037 11.281 -3.230 476 HB3 ARG 63 1HB ARG 63 0.455 10.709 -3.976 477 HG2 ARG 63 2HG ARG 63 -0.700 8.714 -4.813 478 HG3 ARG 63 1HG ARG 63 -2.193 9.233 -4.028 479 HD2 ARG 63 2HD ARG 63 -2.267 9.870 -6.386 480 HD3 ARG 63 1HD ARG 63 -2.104 11.335 -5.401 481 HE ARG 63 HE ARG 63 0.502 10.303 -6.039 482 HH11 ARG 63 1HH1 ARG 63 -2.168 12.140 -7.355 483 HH12 ARG 63 2HH1 ARG 63 -1.192 12.866 -8.585 484 HH21 ARG 63 1HH2 ARG 63 1.710 11.207 -7.690 485 HH22 ARG 63 2HH2 ARG 63 0.981 12.346 -8.774 486 H CYS 64 H CYS 64 -0.812 7.118 -2.669 487 HA CYS 64 HA CYS 64 1.950 6.064 -2.741 488 HB2 CYS 64 2HB CYS 64 -0.316 5.017 -1.813 489 HB3 CYS 64 1HB CYS 64 -0.510 4.511 -3.487 490 HG CYS 64 HG CYS 64 0.852 2.619 -2.339 491 HA PRO 65 HA PRO 65 1.764 7.221 -7.103 492 HB2 PRO 65 2HB PRO 65 4.313 6.452 -7.756 493 HB3 PRO 65 1HB PRO 65 3.926 7.985 -6.948 494 HG2 PRO 65 2HG PRO 65 4.889 5.417 -5.764 495 HG3 PRO 65 1HG PRO 65 5.394 7.079 -5.411 496 HD2 PRO 65 2HD PRO 65 3.696 5.742 -3.814 497 HD3 PRO 65 1HD PRO 65 3.561 7.496 -4.074 498 H ILE 66 H ILE 66 2.944 4.048 -5.970 499 HA ILE 66 HA ILE 66 2.684 2.781 -8.563 500 HB ILE 66 HB ILE 66 2.723 1.591 -5.792 501 HG12 ILE 66 2HG1 ILE 66 4.665 3.067 -6.158 502 HG13 ILE 66 1HG1 ILE 66 5.176 1.381 -6.168 503 HG21 ILE 66 1HG2 ILE 66 2.228 -0.241 -7.098 504 HG22 ILE 66 2HG2 ILE 66 3.978 -0.215 -7.331 505 HG23 ILE 66 3HG2 ILE 66 2.915 0.488 -8.551 506 HD11 ILE 66 3HD1 ILE 66 4.547 1.835 -8.828 507 HD12 ILE 66 1HD1 ILE 66 6.174 1.867 -8.148 508 HD13 ILE 66 2HD1 ILE 66 5.265 3.367 -8.331 509 H CYS 67 H CYS 67 0.559 2.838 -5.676 510 HA CYS 67 HA CYS 67 -1.486 1.145 -6.779 511 HB2 CYS 67 2HB CYS 67 -1.470 3.333 -4.687 512 HB3 CYS 67 1HB CYS 67 -2.900 2.367 -5.029 513 HG CYS 67 HG CYS 67 -1.646 0.249 -4.204 514 H LYS 68 H LYS 68 -0.547 4.394 -7.524 515 HA LYS 68 HA LYS 68 -1.455 6.020 -8.955 516 HB2 LYS 68 2HB LYS 68 -2.734 3.446 -9.924 517 HB3 LYS 68 1HB LYS 68 -2.885 4.976 -10.789 518 HG2 LYS 68 2HG LYS 68 -0.449 5.128 -10.997 519 HG3 LYS 68 1HG LYS 68 -0.261 3.636 -10.074 520 HD2 LYS 68 2HD LYS 68 -1.561 2.423 -11.811 521 HD3 LYS 68 1HD LYS 68 -1.662 3.914 -12.749 522 HE2 LYS 68 2HE LYS 68 0.965 2.641 -11.908 523 HE3 LYS 68 1HE LYS 68 0.212 2.404 -13.498 524 HZ1 LYS 68 3HZ LYS 68 0.080 4.882 -13.648 525 HZ2 LYS 68 1HZ LYS 68 1.656 4.259 -13.698 526 HZ3 LYS 68 2HZ LYS 68 1.069 4.968 -12.270 527 H MET 69 H MET 69 -2.850 5.409 -6.381 528 HA MET 69 HA MET 69 -5.496 6.573 -7.146 529 HB2 MET 69 2HB MET 69 -4.836 4.101 -5.604 530 HB3 MET 69 1HB MET 69 -6.270 5.019 -5.135 531 HG2 MET 69 2HG MET 69 -7.256 4.790 -7.280 532 HG3 MET 69 1HG MET 69 -5.737 4.271 -8.011 533 HE1 MET 69 3HE MET 69 -9.078 2.716 -7.409 534 HE2 MET 69 1HE MET 69 -8.679 3.736 -6.019 535 HE3 MET 69 2HE MET 69 -8.907 2.002 -5.806 536 HA PRO 70 HA PRO 70 -4.386 9.316 -3.848 537 HB2 PRO 70 2HB PRO 70 -6.717 10.720 -3.673 538 HB3 PRO 70 1HB PRO 70 -5.566 10.930 -5.003 539 HG2 PRO 70 2HG PRO 70 -8.162 9.524 -4.958 540 HG3 PRO 70 1HG PRO 70 -7.344 10.355 -6.287 541 HD2 PRO 70 2HD PRO 70 -7.444 7.592 -5.879 542 HD3 PRO 70 1HD PRO 70 -6.357 8.451 -6.989 543 H LEU 71 H LEU 71 -4.909 9.725 -1.600 544 HA LEU 71 HA LEU 71 -7.075 8.066 -0.386 545 HB2 LEU 71 2HB LEU 71 -5.368 7.239 1.277 546 HB3 LEU 71 1HB LEU 71 -5.063 6.677 -0.368 547 HG LEU 71 HG LEU 71 -3.809 9.265 0.382 548 HD11 LEU 71 1HD1 LEU 71 -2.643 6.651 1.362 549 HD12 LEU 71 2HD1 LEU 71 -3.529 7.762 2.407 550 HD13 LEU 71 3HD1 LEU 71 -2.024 8.278 1.646 551 HD21 LEU 71 3HD2 LEU 71 -3.333 6.915 -1.374 552 HD22 LEU 71 1HD2 LEU 71 -1.895 7.725 -0.754 553 HD23 LEU 71 2HD2 LEU 71 -3.079 8.630 -1.695 554 HA PRO 72 HA PRO 72 -6.265 12.385 1.368 555 HB2 PRO 72 2HB PRO 72 -8.742 13.434 0.840 556 HB3 PRO 72 1HB PRO 72 -7.377 13.548 -0.290 557 HG2 PRO 72 2HG PRO 72 -9.669 11.638 -0.284 558 HG3 PRO 72 1HG PRO 72 -8.919 12.494 -1.643 559 HD2 PRO 72 2HD PRO 72 -8.388 9.906 -1.109 560 HD3 PRO 72 1HD PRO 72 -7.168 11.004 -1.789 561 H THR 73 H THR 73 -8.687 9.901 1.636 562 HA THR 73 HA THR 73 -10.170 10.815 3.897 563 HB THR 73 HB THR 73 -10.795 8.907 2.473 564 HG1 THR 73 1HG THR 73 -11.530 7.690 4.100 565 HG21 THR 73 3HG2 THR 73 -8.738 7.913 1.859 566 HG22 THR 73 1HG2 THR 73 -9.490 6.719 2.917 567 HG23 THR 73 2HG2 THR 73 -8.211 7.764 3.535 568 H LYS 74 H LYS 74 -9.919 9.273 6.035 569 HA LYS 74 HA LYS 74 -8.661 8.971 8.017 570 HB2 LYS 74 2HB LYS 74 -7.621 7.496 5.988 571 HB3 LYS 74 1HB LYS 74 -6.211 8.468 6.408 572 HG2 LYS 74 2HG LYS 74 -6.325 7.741 8.718 573 HG3 LYS 74 1HG LYS 74 -7.843 6.893 8.416 574 HD2 LYS 74 2HD LYS 74 -6.703 5.398 6.825 575 HD3 LYS 74 1HD LYS 74 -5.185 6.248 7.107 576 HE2 LYS 74 2HE LYS 74 -5.237 5.587 9.484 577 HE3 LYS 74 1HE LYS 74 -6.777 4.745 9.217 578 HZ1 LYS 74 3HZ LYS 74 -4.949 3.196 8.981 579 HZ2 LYS 74 1HZ LYS 74 -4.209 4.192 7.824 580 HZ3 LYS 74 2HZ LYS 74 -5.690 3.438 7.471 581 H LEU 75 H LEU 75 -8.590 11.672 6.562 582 HA LEU 75 HA LEU 75 -6.054 12.715 7.787 583 HB2 LEU 75 2HB LEU 75 -6.239 12.733 5.278 584 HB3 LEU 75 1HB LEU 75 -7.648 13.781 5.434 585 HG LEU 75 HG LEU 75 -6.241 15.429 6.670 586 HD11 LEU 75 1HD1 LEU 75 -4.096 13.396 6.021 587 HD12 LEU 75 2HD1 LEU 75 -4.520 14.057 7.600 588 HD13 LEU 75 3HD1 LEU 75 -3.721 15.077 6.403 589 HD21 LEU 75 3HD2 LEU 75 -5.373 14.560 3.901 590 HD22 LEU 75 1HD2 LEU 75 -4.820 16.057 4.649 591 HD23 LEU 75 2HD2 LEU 75 -6.535 15.819 4.320 592 H ARG 76 H ARG 76 -6.463 14.030 9.520 593 HA ARG 76 HA ARG 76 -8.564 16.051 9.460 594 HB2 ARG 76 2HB ARG 76 -9.626 13.734 9.966 595 HB3 ARG 76 1HB ARG 76 -8.855 13.890 11.545 596 HG2 ARG 76 2HG ARG 76 -10.167 15.703 12.163 597 HG3 ARG 76 1HG ARG 76 -10.452 16.197 10.494 598 HD2 ARG 76 2HD ARG 76 -12.227 14.758 10.230 599 HD3 ARG 76 1HD ARG 76 -11.524 13.532 11.302 600 HE ARG 76 HE ARG 76 -12.195 15.982 12.725 601 HH11 ARG 76 1HH1 ARG 76 -13.794 13.328 11.176 602 HH12 ARG 76 2HH1 ARG 76 -14.926 13.103 12.466 603 HH21 ARG 76 1HH2 ARG 76 -13.533 15.529 14.507 604 HH22 ARG 76 2HH2 ARG 76 -14.782 14.342 14.337 605 HA PRO 77 HA PRO 77 -4.999 16.840 12.282 606 HB2 PRO 77 2HB PRO 77 -4.509 19.391 11.434 607 HB3 PRO 77 1HB PRO 77 -3.822 17.962 10.637 608 HG2 PRO 77 2HG PRO 77 -6.130 19.650 9.830 609 HG3 PRO 77 1HG PRO 77 -4.900 18.863 8.831 610 HD2 PRO 77 2HD PRO 77 -7.444 17.903 9.181 611 HD3 PRO 77 1HD PRO 77 -6.047 16.896 8.746 612 H SER 78 H SER 78 -5.061 18.119 14.209 613 HA SER 78 HA SER 78 -7.691 19.023 15.057 614 HB2 SER 78 2HB SER 78 -4.897 19.004 16.195 615 HB3 SER 78 1HB SER 78 -6.216 19.784 17.062 616 HG SER 78 HG SER 78 -6.718 17.855 17.704 617 H ALA 79 H ALA 79 -8.447 21.130 15.206 618 HA ALA 79 HA ALA 79 -6.715 23.469 15.002 619 HB1 ALA 79 1HB ALA 79 -8.414 22.557 12.658 620 HB2 ALA 79 2HB ALA 79 -6.659 22.729 12.686 621 HB3 ALA 79 3HB ALA 79 -7.689 24.159 12.777 622 H ALA 80 H ALA 80 -7.943 25.430 15.367 623 HA ALA 80 HA ALA 80 -10.871 25.299 15.561 624 HB1 ALA 80 1HB ALA 80 -10.905 25.639 17.987 625 HB2 ALA 80 2HB ALA 80 -9.142 25.638 18.029 626 HB3 ALA 80 3HB ALA 80 -10.014 24.165 17.610 627 HA PRO 81 HA PRO 81 -9.891 29.587 14.758 628 HB2 PRO 81 2HB PRO 81 -12.435 30.580 14.723 629 HB3 PRO 81 1HB PRO 81 -11.752 29.641 13.380 630 HG2 PRO 81 2HG PRO 81 -13.631 28.793 15.520 631 HG3 PRO 81 1HG PRO 81 -13.571 28.323 13.814 632 HD2 PRO 81 2HD PRO 81 -12.638 26.773 15.878 633 HD3 PRO 81 1HD PRO 81 -12.074 26.651 14.199 634 H THR 82 H THR 82 -9.827 31.563 15.992 635 HA THR 82 HA THR 82 -10.225 31.226 18.883 636 HB THR 82 HB THR 82 -9.270 33.604 18.811 637 HG1 THR 82 1HG THR 82 -9.629 34.415 16.888 638 HG21 THR 82 3HG2 THR 82 -7.548 31.747 17.202 639 HG22 THR 82 1HG2 THR 82 -8.005 31.298 18.845 640 HG23 THR 82 2HG2 THR 82 -7.103 32.786 18.557 641 H ALA 83 H ALA 83 -11.423 32.971 20.118 642 HA ALA 83 HA ALA 83 -14.097 33.358 18.990 643 HB1 ALA 83 1HB ALA 83 -13.201 32.864 21.439 644 HB2 ALA 83 2HB ALA 83 -14.661 33.825 21.200 645 HB3 ALA 83 3HB ALA 83 -13.122 34.624 21.527 646 HA PRO 84 HA PRO 84 -13.430 37.459 17.488 647 HB2 PRO 84 2HB PRO 84 -15.956 38.490 17.670 648 HB3 PRO 84 1HB PRO 84 -15.487 37.300 16.442 649 HG2 PRO 84 2HG PRO 84 -17.001 36.917 18.967 650 HG3 PRO 84 1HG PRO 84 -17.197 36.122 17.398 651 HD2 PRO 84 2HD PRO 84 -15.944 34.989 19.563 652 HD3 PRO 84 1HD PRO 84 -15.648 34.524 17.874 653 HA PRO 85 HA PRO 85 -12.941 40.061 21.030 654 HB2 PRO 85 2HB PRO 85 -12.974 42.555 19.909 655 HB3 PRO 85 1HB PRO 85 -11.605 41.438 19.733 656 HG2 PRO 85 2HG PRO 85 -13.792 42.069 17.816 657 HG3 PRO 85 1HG PRO 85 -12.072 41.779 17.513 658 HD2 PRO 85 2HD PRO 85 -14.014 39.912 17.080 659 HD3 PRO 85 1HD PRO 85 -12.327 39.508 17.466 660 H THR 86 H THR 86 -14.165 41.465 22.449 661 HA THR 86 HA THR 86 -16.885 42.280 21.533 662 HB THR 86 HB THR 86 -17.080 40.016 22.472 663 HG1 THR 86 1HG THR 86 -17.942 42.008 24.297 664 HG21 THR 86 3HG2 THR 86 -15.743 41.220 24.914 665 HG22 THR 86 1HG2 THR 86 -15.046 40.004 23.842 666 HG23 THR 86 2HG2 THR 86 -16.446 39.605 24.838 667 H GLY 87 H GLY 87 -17.835 43.916 22.955 668 HA2 GLY 87 2HA GLY 87 -16.250 44.978 25.180 669 HA3 GLY 87 1HA GLY 87 -16.286 46.025 23.760 670 H ALA 88 H ALA 88 -18.244 47.049 23.188 671 HA ALA 88 HA ALA 88 -20.132 47.457 25.386 672 HB1 ALA 88 1HB ALA 88 -21.077 49.100 23.809 673 HB2 ALA 88 2HB ALA 88 -20.105 48.416 22.505 674 HB3 ALA 88 3HB ALA 88 -19.319 49.238 23.853 675 H ALA 89 H ALA 89 -20.951 45.192 25.483 676 HA ALA 89 HA ALA 89 -22.293 43.890 23.310 677 HB1 ALA 89 1HB ALA 89 -22.763 42.314 24.933 678 HB2 ALA 89 2HB ALA 89 -23.219 43.531 26.125 679 HB3 ALA 89 3HB ALA 89 -21.515 43.214 25.795 680 H ASP 90 H ASP 90 -23.423 46.175 25.785 681 HA ASP 90 HA ASP 90 -26.216 46.026 24.851 682 HB2 ASP 90 2HB ASP 90 -25.393 46.319 27.249 683 HB3 ASP 90 1HB ASP 90 -24.918 47.955 26.792 684 H SER 91 H SER 91 -26.726 47.104 22.996 685 HA SER 91 HA SER 91 -25.134 49.265 21.893 686 HB2 SER 91 2HB SER 91 -27.818 48.006 21.318 687 HB3 SER 91 1HB SER 91 -27.244 49.386 20.389 688 HG SER 91 HG SER 91 -26.707 47.202 19.586 689 H ILE 92 H ILE 92 -25.752 51.498 21.740 690 HA ILE 92 HA ILE 92 -27.585 52.402 23.927 691 HB ILE 92 HB ILE 92 -25.393 53.829 22.379 692 HG12 ILE 92 2HG1 ILE 92 -24.515 52.009 23.801 693 HG13 ILE 92 1HG1 ILE 92 -24.076 53.583 24.460 694 HG21 ILE 92 1HG2 ILE 92 -25.588 55.497 24.243 695 HG22 ILE 92 2HG2 ILE 92 -27.018 54.635 24.807 696 HG23 ILE 92 3HG2 ILE 92 -27.025 55.412 23.224 697 HD11 ILE 92 3HD1 ILE 92 -26.067 53.426 25.991 698 HD12 ILE 92 1HD1 ILE 92 -24.849 52.186 26.288 699 HD13 ILE 92 2HD1 ILE 92 -26.324 51.780 25.409 700 H ARG 93 H ARG 93 -29.509 53.296 23.317 701 HA ARG 93 HA ARG 93 -29.747 54.389 20.539 702 HB2 ARG 93 2HB ARG 93 -30.783 52.078 21.187 703 HB3 ARG 93 1HB ARG 93 -31.996 53.054 22.019 704 HG2 ARG 93 2HG ARG 93 -32.016 54.378 19.718 705 HG3 ARG 93 1HG ARG 93 -31.417 52.842 19.090 706 HD2 ARG 93 2HD ARG 93 -33.941 53.166 20.756 707 HD3 ARG 93 1HD ARG 93 -33.897 52.933 18.997 708 HE ARG 93 HE ARG 93 -33.029 50.915 21.011 709 HH11 ARG 93 1HH1 ARG 93 -35.139 51.046 18.597 710 HH12 ARG 93 2HH1 ARG 93 -34.431 49.834 17.581 711 HH21 ARG 93 1HH2 ARG 93 -31.448 49.721 19.348 712 HH22 ARG 93 2HH2 ARG 93 -32.340 49.084 18.007 713 HA PRO 94 HA PRO 94 -31.060 57.867 23.093 714 HB2 PRO 94 2HB PRO 94 -31.396 59.665 21.061 715 HB3 PRO 94 1HB PRO 94 -29.805 59.252 21.730 716 HG2 PRO 94 2HG PRO 94 -31.113 58.299 19.233 717 HG3 PRO 94 1HG PRO 94 -29.415 58.704 19.538 718 HD2 PRO 94 2HD PRO 94 -30.364 56.149 19.443 719 HD3 PRO 94 1HD PRO 94 -28.939 56.637 20.385 720 HA PRO 95 HA PRO 95 -35.446 57.734 22.583 721 HB2 PRO 95 2HB PRO 95 -36.235 60.221 23.399 722 HB3 PRO 95 1HB PRO 95 -35.650 58.978 24.523 723 HG2 PRO 95 2HG PRO 95 -34.231 61.339 23.406 724 HG3 PRO 95 1HG PRO 95 -34.140 60.626 25.023 725 HD2 PRO 95 2HD PRO 95 -32.252 60.247 23.081 726 HD3 PRO 95 1HD PRO 95 -32.563 59.100 24.402 727 HA PRO 96 HA PRO 96 -36.455 59.488 18.651 728 HB2 PRO 96 2HB PRO 96 -39.189 59.632 18.795 729 HB3 PRO 96 1HB PRO 96 -38.308 58.108 18.571 730 HG2 PRO 96 2HG PRO 96 -39.480 59.267 21.053 731 HG3 PRO 96 1HG PRO 96 -39.473 57.589 20.486 732 HD2 PRO 96 2HD PRO 96 -37.783 58.496 22.398 733 HD3 PRO 96 1HD PRO 96 -37.351 57.191 21.271 734 H TYR 97 H TYR 97 -37.517 61.046 21.601 735 HA TYR 97 HA TYR 97 -37.964 63.619 20.133 736 HB2 TYR 97 2HB TYR 97 -38.822 62.576 22.849 737 HB3 TYR 97 1HB TYR 97 -39.149 64.215 22.283 738 HD1 TYR 97 2HD TYR 97 -40.443 64.508 20.097 739 HD2 TYR 97 1HD TYR 97 -40.212 60.771 22.202 740 HE1 TYR 97 2HE TYR 97 -42.432 63.691 18.863 741 HE2 TYR 97 1HE TYR 97 -42.201 59.953 20.968 742 HH TYR 97 HH TYR 97 -43.396 60.396 18.914 743 H SER 98 H SER 98 -36.609 65.345 20.589 744 HA SER 98 HA SER 98 -34.277 64.819 22.351 745 HB2 SER 98 2HB SER 98 -33.709 65.607 20.194 746 HB3 SER 98 1HB SER 98 -35.013 66.790 20.190 747 HG SER 98 HG SER 98 -33.887 68.032 21.614 748 HA PRO 99 HA PRO 99 -35.822 67.482 25.520 749 HB2 PRO 99 2HB PRO 99 -33.484 68.315 26.667 750 HB3 PRO 99 1HB PRO 99 -34.130 66.676 26.875 751 HG2 PRO 99 2HG PRO 99 -31.944 67.639 25.111 752 HG3 PRO 99 1HG PRO 99 -32.094 66.114 25.997 753 HD2 PRO 99 2HD PRO 99 -32.560 66.395 23.306 754 HD3 PRO 99 1HD PRO 99 -33.253 65.108 24.316 Start of MODEL 3 1 H1 MET 1 1HT MET 1 -26.375 -42.694 -48.414 2 H2 MET 1 2HT MET 1 -26.349 -41.344 -47.384 3 H3 MET 1 3HT MET 1 -26.836 -42.858 -46.789 4 HA MET 1 HA MET 1 -24.651 -43.740 -46.932 5 HB2 MET 1 2HB MET 1 -22.887 -42.370 -48.043 6 HB3 MET 1 1HB MET 1 -24.209 -42.761 -49.142 7 HG2 MET 1 2HG MET 1 -25.182 -40.557 -48.849 8 HG3 MET 1 1HG MET 1 -24.009 -40.161 -47.593 9 HE1 MET 1 2HE MET 1 -24.145 -40.311 -51.878 10 HE2 MET 1 3HE MET 1 -24.523 -41.663 -50.814 11 HE3 MET 1 1HE MET 1 -22.967 -41.602 -51.656 12 H GLY 2 H GLY 2 -22.604 -42.792 -45.743 13 HA2 GLY 2 2HA GLY 2 -23.553 -41.443 -43.340 14 HA3 GLY 2 1HA GLY 2 -21.895 -41.961 -43.649 15 H ASN 3 H ASN 3 -22.183 -39.516 -42.498 16 HA ASN 3 HA ASN 3 -22.202 -37.419 -44.589 17 HB2 ASN 3 2HB ASN 3 -21.897 -37.468 -41.572 18 HB3 ASN 3 1HB ASN 3 -21.873 -35.981 -42.522 19 HD21 ASN 3 1HD2 ASN 3 -23.886 -36.324 -44.369 20 HD22 ASN 3 2HD2 ASN 3 -25.377 -36.582 -43.600 21 H LYS 4 H LYS 4 -20.305 -37.363 -45.767 22 HA LYS 4 HA LYS 4 -17.734 -38.228 -44.866 23 HB2 LYS 4 2HB LYS 4 -18.496 -37.943 -47.224 24 HB3 LYS 4 1HB LYS 4 -18.461 -36.194 -46.998 25 HG2 LYS 4 2HG LYS 4 -16.061 -36.277 -46.513 26 HG3 LYS 4 1HG LYS 4 -16.075 -38.034 -46.654 27 HD2 LYS 4 2HD LYS 4 -16.791 -37.838 -49.011 28 HD3 LYS 4 1HD LYS 4 -16.756 -36.080 -48.872 29 HE2 LYS 4 2HE LYS 4 -14.340 -36.151 -48.369 30 HE3 LYS 4 1HE LYS 4 -14.366 -37.922 -48.490 31 HZ1 LYS 4 3HZ LYS 4 -15.168 -37.754 -50.739 32 HZ2 LYS 4 1HZ LYS 4 -13.737 -36.854 -50.601 33 HZ3 LYS 4 2HZ LYS 4 -15.238 -36.060 -50.637 34 H GLN 5 H GLN 5 -19.154 -34.941 -45.021 35 HA GLN 5 HA GLN 5 -16.811 -33.905 -43.476 36 HB2 GLN 5 2HB GLN 5 -18.996 -32.616 -45.137 37 HB3 GLN 5 1HB GLN 5 -17.797 -31.694 -44.231 38 HG2 GLN 5 2HG GLN 5 -15.985 -32.777 -45.489 39 HG3 GLN 5 1HG GLN 5 -17.163 -33.743 -46.376 40 HE21 GLN 5 1HE2 GLN 5 -15.835 -32.415 -48.175 41 HE22 GLN 5 2HE2 GLN 5 -16.560 -30.959 -48.660 42 H ALA 6 H ALA 6 -17.099 -33.151 -41.398 43 HA ALA 6 HA ALA 6 -19.576 -33.734 -39.983 44 HB1 ALA 6 1HB ALA 6 -18.250 -33.373 -38.128 45 HB2 ALA 6 2HB ALA 6 -17.469 -31.959 -38.837 46 HB3 ALA 6 3HB ALA 6 -16.967 -33.580 -39.319 47 H LYS 7 H LYS 7 -21.165 -32.380 -41.037 48 HA LYS 7 HA LYS 7 -20.922 -29.562 -41.461 49 HB2 LYS 7 2HB LYS 7 -22.641 -31.107 -42.419 50 HB3 LYS 7 1HB LYS 7 -23.383 -31.223 -40.822 51 HG2 LYS 7 2HG LYS 7 -23.805 -28.811 -40.811 52 HG3 LYS 7 1HG LYS 7 -23.004 -28.645 -42.374 53 HD2 LYS 7 2HD LYS 7 -24.693 -30.136 -43.393 54 HD3 LYS 7 1HD LYS 7 -25.502 -30.279 -41.831 55 HE2 LYS 7 2HE LYS 7 -25.931 -27.849 -41.809 56 HE3 LYS 7 1HE LYS 7 -25.099 -27.687 -43.370 57 HZ1 LYS 7 3HZ LYS 7 -27.448 -27.944 -43.758 58 HZ2 LYS 7 1HZ LYS 7 -27.499 -29.348 -42.809 59 HZ3 LYS 7 2HZ LYS 7 -26.648 -29.349 -44.280 60 H ALA 8 H ALA 8 -22.291 -31.407 -38.721 61 HA ALA 8 HA ALA 8 -23.038 -29.111 -37.153 62 HB1 ALA 8 1HB ALA 8 -23.453 -31.801 -37.071 63 HB2 ALA 8 2HB ALA 8 -23.768 -30.730 -35.704 64 HB3 ALA 8 3HB ALA 8 -22.252 -31.627 -35.791 65 HA PRO 9 HA PRO 9 -19.205 -27.854 -35.412 66 HB2 PRO 9 2HB PRO 9 -19.865 -27.304 -32.810 67 HB3 PRO 9 1HB PRO 9 -20.325 -26.262 -34.171 68 HG2 PRO 9 2HG PRO 9 -21.945 -28.291 -32.712 69 HG3 PRO 9 1HG PRO 9 -22.414 -26.693 -33.314 70 HD2 PRO 9 2HD PRO 9 -23.051 -28.995 -34.596 71 HD3 PRO 9 1HD PRO 9 -22.783 -27.457 -35.447 72 H GLU 10 H GLU 10 -20.923 -30.535 -33.966 73 HA GLU 10 HA GLU 10 -20.185 -32.417 -32.762 74 HB2 GLU 10 2HB GLU 10 -17.707 -31.559 -34.289 75 HB3 GLU 10 1HB GLU 10 -17.832 -33.098 -33.436 76 HG2 GLU 10 2HG GLU 10 -19.740 -32.177 -35.605 77 HG3 GLU 10 1HG GLU 10 -18.394 -33.286 -35.864 78 H SER 11 H SER 11 -16.964 -30.980 -32.530 79 HA SER 11 HA SER 11 -16.883 -31.207 -29.659 80 HB2 SER 11 2HB SER 11 -14.916 -31.328 -31.124 81 HB3 SER 11 1HB SER 11 -15.206 -29.684 -31.684 82 HG SER 11 HG SER 11 -14.177 -29.017 -29.993 83 H LYS 12 H LYS 12 -17.244 -29.618 -28.096 84 HA LYS 12 HA LYS 12 -18.794 -27.254 -28.907 85 HB2 LYS 12 2HB LYS 12 -17.856 -28.408 -26.264 86 HB3 LYS 12 1HB LYS 12 -18.909 -26.999 -26.396 87 HG2 LYS 12 2HG LYS 12 -20.571 -28.338 -27.621 88 HG3 LYS 12 1HG LYS 12 -19.518 -29.750 -27.518 89 HD2 LYS 12 2HD LYS 12 -19.632 -29.668 -25.058 90 HD3 LYS 12 1HD LYS 12 -20.678 -28.250 -25.152 91 HE2 LYS 12 2HE LYS 12 -22.381 -29.570 -26.363 92 HE3 LYS 12 1HE LYS 12 -21.332 -31.000 -26.274 93 HZ1 LYS 12 3HZ LYS 12 -21.352 -30.900 -23.906 94 HZ2 LYS 12 1HZ LYS 12 -22.966 -30.847 -24.424 95 HZ3 LYS 12 2HZ LYS 12 -22.193 -29.424 -23.908 96 H ASP 13 H ASP 13 -18.071 -25.127 -28.797 97 HA ASP 13 HA ASP 13 -15.272 -24.558 -29.014 98 HB2 ASP 13 2HB ASP 13 -17.281 -23.245 -29.872 99 HB3 ASP 13 1HB ASP 13 -17.501 -22.661 -28.222 100 H SER 14 H SER 14 -17.547 -24.332 -26.281 101 HA SER 14 HA SER 14 -17.172 -23.993 -23.972 102 HB2 SER 14 2HB SER 14 -15.610 -25.997 -24.804 103 HB3 SER 14 1HB SER 14 -14.331 -24.864 -24.377 104 HG SER 14 HG SER 14 -16.479 -25.680 -22.700 105 HA PRO 15 HA PRO 15 -14.773 -20.115 -25.090 106 HB2 PRO 15 2HB PRO 15 -16.768 -18.332 -24.502 107 HB3 PRO 15 1HB PRO 15 -16.556 -19.062 -26.106 108 HG2 PRO 15 2HG PRO 15 -18.454 -19.791 -23.931 109 HG3 PRO 15 1HG PRO 15 -18.714 -19.728 -25.681 110 HD2 PRO 15 2HD PRO 15 -18.302 -22.045 -24.330 111 HD3 PRO 15 1HD PRO 15 -17.818 -21.812 -26.024 112 H ARG 16 H ARG 16 -16.652 -21.209 -22.352 113 HA ARG 16 HA ARG 16 -16.439 -20.794 -20.033 114 HB2 ARG 16 2HB ARG 16 -13.645 -20.087 -20.999 115 HB3 ARG 16 1HB ARG 16 -14.078 -20.498 -19.340 116 HG2 ARG 16 2HG ARG 16 -14.571 -22.354 -21.681 117 HG3 ARG 16 1HG ARG 16 -13.109 -22.412 -20.698 118 HD2 ARG 16 2HD ARG 16 -15.892 -22.610 -19.503 119 HD3 ARG 16 1HD ARG 16 -14.925 -24.026 -19.955 120 HE ARG 16 HE ARG 16 -13.175 -22.480 -18.454 121 HH11 ARG 16 1HH1 ARG 16 -15.350 -24.921 -17.966 122 HH12 ARG 16 2HH1 ARG 16 -15.617 -24.616 -16.282 123 HH21 ARG 16 1HH2 ARG 16 -13.934 -21.583 -16.295 124 HH22 ARG 16 2HH2 ARG 16 -14.816 -22.725 -15.335 125 H ALA 17 H ALA 17 -17.894 -18.923 -20.136 126 HA ALA 17 HA ALA 17 -16.981 -16.229 -20.648 127 HB1 ALA 17 1HB ALA 17 -19.176 -15.646 -19.868 128 HB2 ALA 17 2HB ALA 17 -19.293 -17.119 -18.904 129 HB3 ALA 17 3HB ALA 17 -19.347 -17.210 -20.666 130 H SER 18 H SER 18 -16.302 -14.624 -19.144 131 HA SER 18 HA SER 18 -15.203 -13.830 -17.202 132 HB2 SER 18 2HB SER 18 -17.734 -15.150 -16.532 133 HB3 SER 18 1HB SER 18 -16.627 -15.094 -15.164 134 HG SER 18 HG SER 18 -17.142 -13.066 -15.007 135 H LEU 19 H LEU 19 -13.184 -14.949 -17.543 136 HA LEU 19 HA LEU 19 -12.702 -17.683 -16.746 137 HB2 LEU 19 2HB LEU 19 -10.982 -15.277 -17.416 138 HB3 LEU 19 1HB LEU 19 -10.303 -16.896 -17.167 139 HG LEU 19 HG LEU 19 -12.749 -16.859 -18.850 140 HD11 LEU 19 1HD1 LEU 19 -11.610 -14.819 -19.710 141 HD12 LEU 19 2HD1 LEU 19 -11.752 -16.118 -20.888 142 HD13 LEU 19 3HD1 LEU 19 -10.199 -15.803 -20.111 143 HD21 LEU 19 3HD2 LEU 19 -10.916 -18.685 -18.176 144 HD22 LEU 19 1HD2 LEU 19 -10.191 -18.122 -19.685 145 HD23 LEU 19 2HD2 LEU 19 -11.838 -18.752 -19.675 146 H ILE 20 H ILE 20 -12.161 -14.595 -15.127 147 HA ILE 20 HA ILE 20 -11.715 -16.148 -12.606 148 HB ILE 20 HB ILE 20 -10.533 -13.518 -13.551 149 HG12 ILE 20 2HG1 ILE 20 -9.197 -16.195 -13.023 150 HG13 ILE 20 1HG1 ILE 20 -9.710 -15.673 -14.627 151 HG21 ILE 20 1HG2 ILE 20 -10.868 -13.570 -11.115 152 HG22 ILE 20 2HG2 ILE 20 -9.154 -13.710 -11.504 153 HG23 ILE 20 3HG2 ILE 20 -10.072 -15.141 -11.031 154 HD11 ILE 20 3HD1 ILE 20 -8.322 -13.512 -14.037 155 HD12 ILE 20 1HD1 ILE 20 -7.505 -14.961 -14.621 156 HD13 ILE 20 2HD1 ILE 20 -7.518 -14.592 -12.897 157 HA PRO 21 HA PRO 21 -15.426 -13.364 -12.227 158 HB2 PRO 21 2HB PRO 21 -17.236 -15.284 -11.518 159 HB3 PRO 21 1HB PRO 21 -16.880 -14.883 -13.209 160 HG2 PRO 21 2HG PRO 21 -16.003 -17.200 -11.591 161 HG3 PRO 21 1HG PRO 21 -16.345 -17.092 -13.323 162 HD2 PRO 21 2HD PRO 21 -13.815 -17.108 -12.172 163 HD3 PRO 21 1HD PRO 21 -14.204 -16.569 -13.813 164 H ASP 22 H ASP 22 -13.463 -13.413 -10.336 165 HA ASP 22 HA ASP 22 -14.966 -13.631 -7.808 166 HB2 ASP 22 2HB ASP 22 -13.223 -15.108 -6.828 167 HB3 ASP 22 1HB ASP 22 -14.020 -15.880 -8.198 168 H ALA 23 H ALA 23 -13.478 -12.810 -5.968 169 HA ALA 23 HA ALA 23 -12.357 -10.252 -6.703 170 HB1 ALA 23 1HB ALA 23 -11.700 -10.261 -4.279 171 HB2 ALA 23 2HB ALA 23 -12.195 -11.951 -4.191 172 HB3 ALA 23 3HB ALA 23 -13.390 -10.699 -4.533 173 H THR 24 H THR 24 -10.148 -9.643 -6.817 174 HA THR 24 HA THR 24 -8.246 -11.895 -7.280 175 HB THR 24 HB THR 24 -8.116 -8.930 -7.930 176 HG1 THR 24 1HG THR 24 -8.775 -9.546 -9.938 177 HG21 THR 24 3HG2 THR 24 -6.390 -9.930 -9.625 178 HG22 THR 24 1HG2 THR 24 -6.320 -11.274 -8.487 179 HG23 THR 24 2HG2 THR 24 -5.890 -9.648 -7.958 180 H HIS 25 H HIS 25 -6.661 -12.287 -5.799 181 HA HIS 25 HA HIS 25 -6.223 -10.298 -3.609 182 HB2 HIS 25 2HB HIS 25 -5.942 -13.284 -3.927 183 HB3 HIS 25 1HB HIS 25 -5.124 -12.446 -2.609 184 HD2 HIS 25 2HD HIS 25 -6.996 -10.975 -0.860 185 HE1 HIS 25 1HE HIS 25 -10.299 -13.347 -2.003 186 HE2 HIS 25 2HE HIS 25 -9.456 -11.653 -0.315 187 H LEU 26 H LEU 26 -3.919 -10.177 -2.821 188 HA LEU 26 HA LEU 26 -2.095 -9.432 -4.878 189 HB2 LEU 26 2HB LEU 26 -1.682 -10.260 -1.986 190 HB3 LEU 26 1HB LEU 26 -0.468 -9.438 -2.965 191 HG LEU 26 HG LEU 26 -3.245 -8.346 -2.446 192 HD11 LEU 26 1HD1 LEU 26 -2.459 -7.196 -0.624 193 HD12 LEU 26 2HD1 LEU 26 -0.824 -7.076 -1.275 194 HD13 LEU 26 3HD1 LEU 26 -1.366 -8.577 -0.524 195 HD21 LEU 26 3HD2 LEU 26 -1.765 -6.228 -3.139 196 HD22 LEU 26 1HD2 LEU 26 -2.546 -7.243 -4.351 197 HD23 LEU 26 2HD2 LEU 26 -0.836 -7.468 -3.980 198 H GLY 27 H GLY 27 -1.435 -12.120 -2.610 199 HA2 GLY 27 2HA GLY 27 -1.039 -14.416 -3.300 200 HA3 GLY 27 1HA GLY 27 -0.681 -13.835 -4.922 201 HA PRO 28 HA PRO 28 3.547 -14.288 -3.663 202 HB2 PRO 28 2HB PRO 28 4.764 -12.979 -5.730 203 HB3 PRO 28 1HB PRO 28 4.074 -14.607 -5.897 204 HG2 PRO 28 2HG PRO 28 2.930 -11.976 -6.701 205 HG3 PRO 28 1HG PRO 28 2.895 -13.529 -7.553 206 HD2 PRO 28 2HD PRO 28 0.782 -12.563 -6.147 207 HD3 PRO 28 1HD PRO 28 1.100 -14.300 -6.346 208 H GLN 29 H GLN 29 5.194 -12.966 -2.696 209 HA GLN 29 HA GLN 29 4.503 -10.056 -2.496 210 HB2 GLN 29 2HB GLN 29 4.704 -12.166 -0.502 211 HB3 GLN 29 1HB GLN 29 5.834 -10.862 -0.142 212 HG2 GLN 29 2HG GLN 29 3.946 -10.008 0.880 213 HG3 GLN 29 1HG GLN 29 3.717 -9.354 -0.742 214 HE21 GLN 29 1HE2 GLN 29 1.341 -9.400 -0.409 215 HE22 GLN 29 2HE2 GLN 29 0.494 -10.869 -0.491 216 H PHE 30 H PHE 30 6.079 -9.615 -4.146 217 HA PHE 30 HA PHE 30 8.903 -9.739 -3.152 218 HB2 PHE 30 2HB PHE 30 7.764 -10.364 -5.896 219 HB3 PHE 30 1HB PHE 30 9.489 -10.145 -5.590 220 HD1 PHE 30 2HD PHE 30 10.712 -11.708 -4.104 221 HD2 PHE 30 1HD PHE 30 6.601 -12.345 -5.169 222 HE1 PHE 30 2HE PHE 30 10.877 -14.056 -3.327 223 HE2 PHE 30 1HE PHE 30 6.763 -14.696 -4.393 224 HZ PHE 30 HZ PHE 30 8.902 -15.552 -3.473 225 H CYS 31 H CYS 31 9.846 -7.693 -3.227 226 HA CYS 31 HA CYS 31 8.289 -5.433 -4.209 227 HB2 CYS 31 2HB CYS 31 9.943 -5.558 -2.233 228 HB3 CYS 31 1HB CYS 31 11.217 -5.448 -3.448 229 HG CYS 31 HG CYS 31 10.601 -3.000 -2.718 230 H LYS 32 H LYS 32 8.234 -4.821 -6.310 231 HA LYS 32 HA LYS 32 10.404 -5.720 -8.145 232 HB2 LYS 32 2HB LYS 32 7.768 -5.979 -8.359 233 HB3 LYS 32 1HB LYS 32 7.887 -4.339 -9.001 234 HG2 LYS 32 2HG LYS 32 9.464 -5.063 -10.702 235 HG3 LYS 32 1HG LYS 32 9.519 -6.685 -10.011 236 HD2 LYS 32 2HD LYS 32 7.115 -6.975 -10.496 237 HD3 LYS 32 1HD LYS 32 7.063 -5.357 -11.195 238 HE2 LYS 32 2HE LYS 32 8.690 -6.023 -12.921 239 HE3 LYS 32 1HE LYS 32 8.785 -7.648 -12.211 240 HZ1 LYS 32 3HZ LYS 32 7.156 -7.642 -13.973 241 HZ2 LYS 32 1HZ LYS 32 6.341 -6.329 -13.273 242 HZ3 LYS 32 2HZ LYS 32 6.364 -7.832 -12.482 243 H SER 33 H SER 33 9.432 -2.921 -6.406 244 HA SER 33 HA SER 33 10.126 -0.911 -8.382 245 HB2 SER 33 2HB SER 33 8.650 -0.858 -6.224 246 HB3 SER 33 1HB SER 33 10.169 -0.536 -5.396 247 HG SER 33 HG SER 33 9.211 0.919 -7.638 248 H CYS 34 H CYS 34 11.806 -1.653 -5.259 249 HA CYS 34 HA CYS 34 14.241 -0.413 -6.314 250 HB2 CYS 34 2HB CYS 34 15.128 -0.836 -4.069 251 HB3 CYS 34 1HB CYS 34 13.522 -0.125 -3.974 252 HG CYS 34 HG CYS 34 12.577 -2.499 -3.378 253 H TRP 35 H TRP 35 13.283 -3.760 -5.453 254 HA TRP 35 HA TRP 35 14.824 -5.047 -7.454 255 HB2 TRP 35 2HB TRP 35 16.703 -5.893 -5.917 256 HB3 TRP 35 1HB TRP 35 16.834 -4.213 -6.420 257 HD1 TRP 35 HD TRP 35 15.219 -6.148 -3.472 258 HE1 TRP 35 1HE TRP 35 15.617 -4.795 -1.314 259 HE3 TRP 35 3HE TRP 35 17.687 -2.113 -5.400 260 HZ2 TRP 35 2HZ TRP 35 16.821 -2.329 -0.513 261 HZ3 TRP 35 3HZ TRP 35 18.444 -0.277 -3.917 262 HH2 TRP 35 HH TRP 35 18.014 -0.380 -1.478 263 H PHE 36 H PHE 36 15.255 -7.468 -6.734 264 HA PHE 36 HA PHE 36 12.781 -8.438 -5.451 265 HB2 PHE 36 2HB PHE 36 15.172 -9.668 -6.841 266 HB3 PHE 36 1HB PHE 36 13.893 -10.655 -6.135 267 HD1 PHE 36 2HD PHE 36 11.488 -10.267 -6.911 268 HD2 PHE 36 1HD PHE 36 14.903 -8.658 -8.961 269 HE1 PHE 36 2HE PHE 36 10.111 -9.938 -8.949 270 HE2 PHE 36 1HE PHE 36 13.527 -8.331 -10.998 271 HZ PHE 36 HZ PHE 36 11.132 -8.971 -10.992 272 H GLU 37 H GLU 37 12.768 -8.561 -3.217 273 HA GLU 37 HA GLU 37 14.851 -10.093 -1.827 274 HB2 GLU 37 2HB GLU 37 15.617 -7.634 -2.212 275 HB3 GLU 37 1HB GLU 37 14.422 -7.229 -0.980 276 HG2 GLU 37 2HG GLU 37 16.515 -7.534 0.162 277 HG3 GLU 37 1HG GLU 37 15.530 -8.952 0.514 278 H ASN 38 H ASN 38 14.021 -10.930 0.107 279 HA ASN 38 HA ASN 38 11.257 -10.051 0.886 280 HB2 ASN 38 2HB ASN 38 12.724 -12.700 1.092 281 HB3 ASN 38 1HB ASN 38 11.115 -12.414 1.754 282 HD21 ASN 38 1HD2 ASN 38 9.882 -10.920 -0.252 283 HD22 ASN 38 2HD2 ASN 38 9.816 -11.819 -1.691 284 H LYS 39 H LYS 39 14.043 -9.096 1.816 285 HA LYS 39 HA LYS 39 14.563 -10.016 4.471 286 HB2 LYS 39 2HB LYS 39 16.086 -8.723 2.991 287 HB3 LYS 39 1HB LYS 39 15.052 -7.308 3.196 288 HG2 LYS 39 2HG LYS 39 15.465 -7.324 5.612 289 HG3 LYS 39 1HG LYS 39 16.455 -8.776 5.447 290 HD2 LYS 39 2HD LYS 39 18.014 -7.545 3.978 291 HD3 LYS 39 1HD LYS 39 17.033 -6.090 4.165 292 HE2 LYS 39 2HE LYS 39 17.452 -6.097 6.596 293 HE3 LYS 39 1HE LYS 39 18.425 -7.572 6.426 294 HZ1 LYS 39 3HZ LYS 39 19.928 -5.762 6.310 295 HZ2 LYS 39 1HZ LYS 39 18.945 -4.910 5.223 296 HZ3 LYS 39 2HZ LYS 39 19.745 -6.322 4.717 297 H GLY 40 H GLY 40 12.640 -7.216 3.323 298 HA2 GLY 40 2HA GLY 40 11.012 -7.337 5.780 299 HA3 GLY 40 1HA GLY 40 11.959 -5.862 5.579 300 H LEU 41 H LEU 41 10.014 -7.919 3.400 301 HA LEU 41 HA LEU 41 9.098 -5.647 1.839 302 HB2 LEU 41 2HB LEU 41 9.445 -7.916 0.946 303 HB3 LEU 41 1HB LEU 41 8.184 -8.535 2.010 304 HG LEU 41 HG LEU 41 6.580 -6.932 0.902 305 HD11 LEU 41 1HD1 LEU 41 7.524 -6.325 -1.500 306 HD12 LEU 41 2HD1 LEU 41 9.075 -6.397 -0.665 307 HD13 LEU 41 3HD1 LEU 41 7.835 -5.268 -0.123 308 HD21 LEU 41 3HD2 LEU 41 7.156 -9.428 0.250 309 HD22 LEU 41 1HD2 LEU 41 7.780 -8.677 -1.218 310 HD23 LEU 41 2HD2 LEU 41 6.087 -8.467 -0.771 311 H VAL 42 H VAL 42 7.075 -4.685 1.850 312 HA VAL 42 HA VAL 42 5.214 -5.375 4.098 313 HB VAL 42 HB VAL 42 5.942 -2.674 2.897 314 HG11 VAL 42 1HG1 VAL 42 3.841 -3.587 4.795 315 HG12 VAL 42 2HG1 VAL 42 3.814 -2.253 3.642 316 HG13 VAL 42 3HG1 VAL 42 4.668 -2.076 5.176 317 HG21 VAL 42 3HG2 VAL 42 7.758 -3.094 4.256 318 HG22 VAL 42 1HG2 VAL 42 6.861 -4.215 5.281 319 HG23 VAL 42 2HG2 VAL 42 6.644 -2.476 5.475 320 H GLU 43 H GLU 43 3.115 -5.764 3.384 321 HA GLU 43 HA GLU 43 2.640 -5.675 0.478 322 HB2 GLU 43 2HB GLU 43 1.102 -6.693 2.881 323 HB3 GLU 43 1HB GLU 43 0.540 -6.871 1.219 324 HG2 GLU 43 2HG GLU 43 2.522 -8.149 0.628 325 HG3 GLU 43 1HG GLU 43 3.218 -7.874 2.225 326 H CYS 44 H CYS 44 1.963 -3.769 -0.365 327 HA CYS 44 HA CYS 44 0.358 -1.770 1.042 328 HB2 CYS 44 2HB CYS 44 1.914 -1.897 -1.237 329 HB3 CYS 44 1HB CYS 44 0.298 -1.969 -1.930 330 HG CYS 44 HG CYS 44 -0.152 0.313 -0.482 331 H ASN 45 H ASN 45 -2.027 -1.347 -0.023 332 HA ASN 45 HA ASN 45 -3.654 -3.615 0.463 333 HB2 ASN 45 2HB ASN 45 -4.413 -1.259 0.347 334 HB3 ASN 45 1HB ASN 45 -4.145 -1.258 -1.394 335 HD21 ASN 45 1HD2 ASN 45 -6.738 -0.730 -0.425 336 HD22 ASN 45 2HD2 ASN 45 -7.756 -2.040 -0.783 337 H ASN 46 H ASN 46 -3.266 -2.265 -2.844 338 HA ASN 46 HA ASN 46 -3.374 -5.058 -3.918 339 HB2 ASN 46 2HB ASN 46 -4.107 -2.342 -5.039 340 HB3 ASN 46 1HB ASN 46 -4.118 -3.821 -6.004 341 HD21 ASN 46 1HD2 ASN 46 -5.263 -5.727 -4.471 342 HD22 ASN 46 2HD2 ASN 46 -6.796 -5.262 -3.907 343 H HIS 47 H HIS 47 -0.896 -3.650 -2.916 344 HA HIS 47 HA HIS 47 0.779 -4.036 -5.339 345 HB2 HIS 47 2HB HIS 47 0.291 -1.799 -5.725 346 HB3 HIS 47 1HB HIS 47 -0.035 -1.475 -4.033 347 HD2 HIS 47 2HD HIS 47 3.454 -2.564 -5.641 348 HE1 HIS 47 1HE HIS 47 3.961 1.031 -3.498 349 HE2 HIS 47 2HE HIS 47 5.152 -0.799 -4.788 350 H TYR 48 H TYR 48 3.130 -4.177 -4.729 351 HA TYR 48 HA TYR 48 3.512 -4.844 -1.830 352 HB2 TYR 48 2HB TYR 48 5.186 -5.738 -4.194 353 HB3 TYR 48 1HB TYR 48 5.179 -6.414 -2.570 354 HD1 TYR 48 1HD TYR 48 3.174 -7.692 -1.758 355 HD2 TYR 48 2HD TYR 48 3.607 -6.395 -5.827 356 HE1 TYR 48 1HE TYR 48 1.430 -9.306 -2.463 357 HE2 TYR 48 2HE TYR 48 1.861 -8.004 -6.530 358 HH TYR 48 HH TYR 48 -0.069 -9.186 -5.488 359 H LEU 49 H LEU 49 4.951 -3.622 -0.711 360 HA LEU 49 HA LEU 49 7.207 -2.292 -2.126 361 HB2 LEU 49 2HB LEU 49 4.868 -0.978 -1.020 362 HB3 LEU 49 1HB LEU 49 6.298 -0.498 -0.110 363 HG LEU 49 HG LEU 49 5.963 -0.327 -3.116 364 HD11 LEU 49 1HD1 LEU 49 6.446 1.949 -1.205 365 HD12 LEU 49 2HD1 LEU 49 4.810 1.384 -1.549 366 HD13 LEU 49 3HD1 LEU 49 5.820 2.010 -2.852 367 HD21 LEU 49 3HD2 LEU 49 8.169 1.009 -2.830 368 HD22 LEU 49 1HD2 LEU 49 8.262 -0.752 -2.801 369 HD23 LEU 49 2HD2 LEU 49 8.310 0.158 -1.291 370 H CYS 50 H CYS 50 9.089 -2.239 -0.776 371 HA CYS 50 HA CYS 50 8.742 -3.684 1.808 372 HB2 CYS 50 2HB CYS 50 10.983 -4.463 1.494 373 HB3 CYS 50 1HB CYS 50 10.187 -4.606 -0.067 374 HG CYS 50 HG CYS 50 11.437 -2.050 -0.347 375 H LEU 51 H LEU 51 9.789 -2.898 3.678 376 HA LEU 51 HA LEU 51 9.629 -0.136 4.195 377 HB2 LEU 51 2HB LEU 51 10.901 -0.738 6.262 378 HB3 LEU 51 1HB LEU 51 9.587 -1.862 5.926 379 HG LEU 51 HG LEU 51 11.495 -3.163 4.606 380 HD11 LEU 51 1HD1 LEU 51 13.523 -2.836 6.387 381 HD12 LEU 51 2HD1 LEU 51 12.922 -1.182 6.291 382 HD13 LEU 51 3HD1 LEU 51 13.460 -2.010 4.833 383 HD21 LEU 51 3HD2 LEU 51 12.094 -4.129 7.028 384 HD22 LEU 51 1HD2 LEU 51 10.516 -4.399 6.289 385 HD23 LEU 51 2HD2 LEU 51 10.720 -3.122 7.487 386 H ASN 52 H ASN 52 12.205 -1.966 2.728 387 HA ASN 52 HA ASN 52 14.440 -0.307 3.320 388 HB2 ASN 52 2HB ASN 52 14.079 -2.618 2.053 389 HB3 ASN 52 1HB ASN 52 14.060 -1.576 0.630 390 HD21 ASN 52 1HD2 ASN 52 16.164 -3.544 1.851 391 HD22 ASN 52 2HD2 ASN 52 17.598 -2.637 1.816 392 H CYS 53 H CYS 53 12.347 -0.268 0.388 393 HA CYS 53 HA CYS 53 13.364 2.461 -0.242 394 HB2 CYS 53 2HB CYS 53 12.270 2.083 -2.415 395 HB3 CYS 53 1HB CYS 53 13.329 0.738 -2.005 396 HG CYS 53 HG CYS 53 10.922 -0.107 -2.838 397 H LEU 54 H LEU 54 10.493 0.817 0.879 398 HA LEU 54 HA LEU 54 8.508 2.797 0.381 399 HB2 LEU 54 2HB LEU 54 8.179 0.447 1.165 400 HB3 LEU 54 1HB LEU 54 8.829 0.905 2.735 401 HG LEU 54 HG LEU 54 6.500 2.379 1.544 402 HD11 LEU 54 1HD1 LEU 54 5.235 0.747 3.218 403 HD12 LEU 54 2HD1 LEU 54 6.585 -0.318 2.824 404 HD13 LEU 54 3HD1 LEU 54 5.527 0.276 1.543 405 HD21 LEU 54 3HD2 LEU 54 6.115 2.277 4.233 406 HD22 LEU 54 1HD2 LEU 54 7.051 3.548 3.446 407 HD23 LEU 54 2HD2 LEU 54 7.874 2.168 4.171 408 H THR 55 H THR 55 10.710 2.372 3.160 409 HA THR 55 HA THR 55 9.729 4.585 4.722 410 HB THR 55 HB THR 55 12.425 3.194 4.547 411 HG1 THR 55 1HG THR 55 11.569 1.761 5.817 412 HG21 THR 55 3HG2 THR 55 12.853 4.072 6.801 413 HG22 THR 55 1HG2 THR 55 11.309 4.923 6.776 414 HG23 THR 55 2HG2 THR 55 12.598 5.401 5.672 415 H LEU 56 H LEU 56 12.346 4.355 2.282 416 HA LEU 56 HA LEU 56 13.393 6.988 2.561 417 HB2 LEU 56 2HB LEU 56 14.445 5.177 1.274 418 HB3 LEU 56 1HB LEU 56 13.104 5.185 0.130 419 HG LEU 56 HG LEU 56 13.665 7.492 -0.529 420 HD11 LEU 56 1HD1 LEU 56 14.656 8.610 1.230 421 HD12 LEU 56 2HD1 LEU 56 16.108 8.147 0.342 422 HD13 LEU 56 3HD1 LEU 56 15.589 7.202 1.738 423 HD21 LEU 56 3HD2 LEU 56 14.767 5.458 -1.591 424 HD22 LEU 56 1HD2 LEU 56 16.174 5.799 -0.583 425 HD23 LEU 56 2HD2 LEU 56 15.643 6.977 -1.783 426 H LEU 57 H LEU 57 10.747 5.795 0.455 427 HA LEU 57 HA LEU 57 10.039 8.628 -0.201 428 HB2 LEU 57 2HB LEU 57 10.369 6.749 -1.944 429 HB3 LEU 57 1HB LEU 57 8.855 6.081 -1.329 430 HG LEU 57 HG LEU 57 7.797 8.345 -1.753 431 HD11 LEU 57 1HD1 LEU 57 9.043 9.754 -3.438 432 HD12 LEU 57 2HD1 LEU 57 10.468 8.771 -3.099 433 HD13 LEU 57 3HD1 LEU 57 9.742 9.745 -1.819 434 HD21 LEU 57 3HD2 LEU 57 8.970 7.080 -4.238 435 HD22 LEU 57 1HD2 LEU 57 7.424 7.914 -4.081 436 HD23 LEU 57 2HD2 LEU 57 7.661 6.345 -3.312 437 H LEU 58 H LEU 58 9.388 6.750 2.332 438 HA LEU 58 HA LEU 58 7.551 6.561 3.815 439 HB2 LEU 58 2HB LEU 58 7.283 9.024 2.383 440 HB3 LEU 58 1HB LEU 58 5.684 8.307 2.529 441 HG LEU 58 HG LEU 58 6.190 9.760 4.444 442 HD11 LEU 58 1HD1 LEU 58 4.817 7.618 4.635 443 HD12 LEU 58 2HD1 LEU 58 5.450 8.279 6.142 444 HD13 LEU 58 3HD1 LEU 58 6.244 6.899 5.384 445 HD21 LEU 58 3HD2 LEU 58 8.264 7.823 5.397 446 HD22 LEU 58 1HD2 LEU 58 8.046 9.522 5.818 447 HD23 LEU 58 2HD2 LEU 58 8.732 9.083 4.254 448 H SER 59 H SER 59 5.371 5.512 3.848 449 HA SER 59 HA SER 59 4.993 3.680 1.626 450 HB2 SER 59 2HB SER 59 2.943 3.074 2.910 451 HB3 SER 59 1HB SER 59 4.348 3.185 3.966 452 HG SER 59 HG SER 59 3.358 4.714 4.990 453 H VAL 60 H VAL 60 3.072 6.391 2.885 454 HA VAL 60 HA VAL 60 2.449 7.277 0.136 455 HB VAL 60 HB VAL 60 0.022 7.311 0.648 456 HG11 VAL 60 1HG1 VAL 60 1.013 4.507 1.117 457 HG12 VAL 60 2HG1 VAL 60 1.313 5.324 -0.417 458 HG13 VAL 60 3HG1 VAL 60 -0.343 5.050 0.128 459 HG21 VAL 60 3HG2 VAL 60 -0.410 5.553 2.679 460 HG22 VAL 60 1HG2 VAL 60 -0.404 7.303 2.894 461 HG23 VAL 60 2HG2 VAL 60 1.040 6.364 3.270 462 H SER 61 H SER 61 4.090 8.806 1.513 463 HA SER 61 HA SER 61 3.190 10.488 3.593 464 HB2 SER 61 2HB SER 61 4.844 12.098 2.660 465 HB3 SER 61 1HB SER 61 5.478 10.459 2.681 466 HG SER 61 HG SER 61 5.787 11.588 0.669 467 H ASN 62 H ASN 62 2.640 10.732 0.123 468 HA ASN 62 HA ASN 62 0.480 12.742 0.650 469 HB2 ASN 62 2HB ASN 62 2.604 13.607 -0.463 470 HB3 ASN 62 1HB ASN 62 2.242 12.532 -1.814 471 HD21 ASN 62 1HD2 ASN 62 1.665 14.131 -3.382 472 HD22 ASN 62 2HD2 ASN 62 0.341 15.177 -3.192 473 H ARG 63 H ARG 63 1.745 10.389 -1.718 474 HA ARG 63 HA ARG 63 -0.890 9.072 -1.915 475 HB2 ARG 63 2HB ARG 63 -1.063 9.590 -4.346 476 HB3 ARG 63 1HB ARG 63 -1.096 11.053 -3.362 477 HG2 ARG 63 2HG ARG 63 1.328 11.376 -3.776 478 HG3 ARG 63 1HG ARG 63 1.339 9.931 -4.787 479 HD2 ARG 63 2HD ARG 63 -0.300 10.990 -6.315 480 HD3 ARG 63 1HD ARG 63 -0.271 12.451 -5.308 481 HE ARG 63 HE ARG 63 1.871 12.952 -6.165 482 HH11 ARG 63 1HH1 ARG 63 1.019 9.642 -6.905 483 HH12 ARG 63 2HH1 ARG 63 2.445 9.383 -7.845 484 HH21 ARG 63 1HH2 ARG 63 3.732 12.548 -7.333 485 HH22 ARG 63 2HH2 ARG 63 3.969 11.004 -8.081 486 H CYS 64 H CYS 64 -0.700 6.943 -2.800 487 HA CYS 64 HA CYS 64 2.059 5.924 -3.132 488 HB2 CYS 64 2HB CYS 64 0.013 4.811 -1.927 489 HB3 CYS 64 1HB CYS 64 -0.498 4.367 -3.557 490 HG CYS 64 HG CYS 64 1.516 2.841 -2.060 491 HA PRO 65 HA PRO 65 1.443 7.006 -7.473 492 HB2 PRO 65 2HB PRO 65 3.938 6.279 -8.348 493 HB3 PRO 65 1HB PRO 65 3.597 7.815 -7.528 494 HG2 PRO 65 2HG PRO 65 4.732 5.291 -6.417 495 HG3 PRO 65 1HG PRO 65 5.214 6.970 -6.119 496 HD2 PRO 65 2HD PRO 65 3.703 5.572 -4.375 497 HD3 PRO 65 1HD PRO 65 3.519 7.327 -4.598 498 H ILE 66 H ILE 66 2.776 3.876 -6.394 499 HA ILE 66 HA ILE 66 2.332 2.558 -8.933 500 HB ILE 66 HB ILE 66 2.648 1.419 -6.140 501 HG12 ILE 66 2HG1 ILE 66 4.720 1.965 -8.297 502 HG13 ILE 66 1HG1 ILE 66 4.484 2.966 -6.866 503 HG21 ILE 66 1HG2 ILE 66 3.542 -0.551 -7.441 504 HG22 ILE 66 2HG2 ILE 66 2.979 0.237 -8.915 505 HG23 ILE 66 3HG2 ILE 66 1.818 -0.262 -7.684 506 HD11 ILE 66 3HD1 ILE 66 5.002 0.008 -6.638 507 HD12 ILE 66 1HD1 ILE 66 5.207 1.256 -5.407 508 HD13 ILE 66 2HD1 ILE 66 6.329 1.161 -6.766 509 H CYS 67 H CYS 67 0.432 2.646 -5.891 510 HA CYS 67 HA CYS 67 -1.647 0.884 -6.776 511 HB2 CYS 67 2HB CYS 67 -1.511 3.162 -4.788 512 HB3 CYS 67 1HB CYS 67 -2.970 2.196 -5.008 513 HG CYS 67 HG CYS 67 -1.929 0.489 -3.559 514 H LYS 68 H LYS 68 -0.863 4.149 -7.668 515 HA LYS 68 HA LYS 68 -1.873 5.631 -9.191 516 HB2 LYS 68 2HB LYS 68 -2.186 3.069 -10.132 517 HB3 LYS 68 1HB LYS 68 -3.859 3.626 -10.087 518 HG2 LYS 68 2HG LYS 68 -3.313 5.547 -11.457 519 HG3 LYS 68 1HG LYS 68 -1.594 5.156 -11.394 520 HD2 LYS 68 2HD LYS 68 -2.058 3.003 -12.534 521 HD3 LYS 68 1HD LYS 68 -3.763 3.445 -12.643 522 HE2 LYS 68 2HE LYS 68 -1.509 5.106 -13.823 523 HE3 LYS 68 1HE LYS 68 -2.498 3.960 -14.750 524 HZ1 LYS 68 3HZ LYS 68 -3.565 6.053 -14.923 525 HZ2 LYS 68 1HZ LYS 68 -3.421 6.355 -13.261 526 HZ3 LYS 68 2HZ LYS 68 -4.483 5.149 -13.815 527 H MET 69 H MET 69 -2.978 5.275 -6.439 528 HA MET 69 HA MET 69 -5.712 6.348 -7.018 529 HB2 MET 69 2HB MET 69 -4.821 4.206 -5.097 530 HB3 MET 69 1HB MET 69 -6.318 5.102 -4.824 531 HG2 MET 69 2HG MET 69 -5.700 3.778 -7.469 532 HG3 MET 69 1HG MET 69 -6.537 2.930 -6.168 533 HE1 MET 69 3HE MET 69 -8.747 2.508 -6.618 534 HE2 MET 69 1HE MET 69 -8.369 2.709 -8.334 535 HE3 MET 69 2HE MET 69 -9.831 3.426 -7.660 536 HA PRO 70 HA PRO 70 -4.232 9.532 -4.307 537 HB2 PRO 70 2HB PRO 70 -6.527 10.990 -4.108 538 HB3 PRO 70 1HB PRO 70 -5.524 10.973 -5.570 539 HG2 PRO 70 2HG PRO 70 -8.108 9.650 -5.042 540 HG3 PRO 70 1HG PRO 70 -7.425 10.237 -6.564 541 HD2 PRO 70 2HD PRO 70 -7.501 7.575 -5.687 542 HD3 PRO 70 1HD PRO 70 -6.554 8.213 -7.048 543 H LEU 71 H LEU 71 -4.439 10.193 -2.086 544 HA LEU 71 HA LEU 71 -6.422 8.644 -0.451 545 HB2 LEU 71 2HB LEU 71 -3.457 9.142 -0.094 546 HB3 LEU 71 1HB LEU 71 -4.483 8.620 1.243 547 HG LEU 71 HG LEU 71 -5.248 6.832 -0.640 548 HD11 LEU 71 1HD1 LEU 71 -3.495 7.902 -2.180 549 HD12 LEU 71 2HD1 LEU 71 -3.428 6.148 -2.012 550 HD13 LEU 71 3HD1 LEU 71 -2.284 7.163 -1.132 551 HD21 LEU 71 3HD2 LEU 71 -4.436 6.363 1.664 552 HD22 LEU 71 1HD2 LEU 71 -2.776 6.578 1.105 553 HD23 LEU 71 2HD2 LEU 71 -3.750 5.245 0.485 554 HA PRO 72 HA PRO 72 -6.579 13.256 0.291 555 HB2 PRO 72 2HB PRO 72 -9.316 13.449 0.249 556 HB3 PRO 72 1HB PRO 72 -8.308 13.589 -1.207 557 HG2 PRO 72 2HG PRO 72 -9.822 11.231 -0.178 558 HG3 PRO 72 1HG PRO 72 -9.679 11.841 -1.837 559 HD2 PRO 72 2HD PRO 72 -8.249 9.732 -0.962 560 HD3 PRO 72 1HD PRO 72 -7.601 10.886 -2.151 561 H THR 73 H THR 73 -6.893 14.138 2.337 562 HA THR 73 HA THR 73 -7.304 12.351 4.578 563 HB THR 73 HB THR 73 -7.086 14.490 5.853 564 HG1 THR 73 1HG THR 73 -7.038 16.387 4.767 565 HG21 THR 73 3HG2 THR 73 -4.845 15.117 4.897 566 HG22 THR 73 1HG2 THR 73 -5.194 14.059 3.528 567 HG23 THR 73 2HG2 THR 73 -5.054 13.384 5.152 568 H LYS 74 H LYS 74 -9.369 14.594 2.801 569 HA LYS 74 HA LYS 74 -11.686 15.041 2.954 570 HB2 LYS 74 2HB LYS 74 -11.214 12.316 3.155 571 HB3 LYS 74 1HB LYS 74 -12.243 12.632 4.551 572 HG2 LYS 74 2HG LYS 74 -13.943 13.639 3.145 573 HG3 LYS 74 1HG LYS 74 -12.891 13.533 1.731 574 HD2 LYS 74 2HD LYS 74 -14.459 11.678 1.658 575 HD3 LYS 74 1HD LYS 74 -12.853 11.042 2.017 576 HE2 LYS 74 2HE LYS 74 -13.398 10.952 4.418 577 HE3 LYS 74 1HE LYS 74 -15.008 11.623 4.083 578 HZ1 LYS 74 3HZ LYS 74 -15.502 9.778 2.666 579 HZ2 LYS 74 1HZ LYS 74 -14.978 9.162 4.156 580 HZ3 LYS 74 2HZ LYS 74 -13.927 9.160 2.821 581 H LEU 75 H LEU 75 -9.919 16.014 5.096 582 HA LEU 75 HA LEU 75 -11.804 15.981 7.429 583 HB2 LEU 75 2HB LEU 75 -9.525 15.004 7.737 584 HB3 LEU 75 1HB LEU 75 -8.829 16.566 7.302 585 HG LEU 75 HG LEU 75 -10.086 17.605 9.194 586 HD11 LEU 75 1HD1 LEU 75 -10.969 15.979 10.930 587 HD12 LEU 75 2HD1 LEU 75 -10.831 14.714 9.708 588 HD13 LEU 75 3HD1 LEU 75 -11.923 16.074 9.449 589 HD21 LEU 75 3HD2 LEU 75 -7.708 16.653 9.346 590 HD22 LEU 75 1HD2 LEU 75 -8.429 15.272 10.173 591 HD23 LEU 75 2HD2 LEU 75 -8.557 16.885 10.875 592 H ARG 76 H ARG 76 -12.797 17.905 7.842 593 HA ARG 76 HA ARG 76 -11.574 20.400 6.712 594 HB2 ARG 76 2HB ARG 76 -13.935 21.156 6.464 595 HB3 ARG 76 1HB ARG 76 -13.611 19.684 5.550 596 HG2 ARG 76 2HG ARG 76 -14.679 18.314 7.207 597 HG3 ARG 76 1HG ARG 76 -14.772 19.659 8.347 598 HD2 ARG 76 2HD ARG 76 -16.910 19.832 7.508 599 HD3 ARG 76 1HD ARG 76 -16.093 20.735 6.217 600 HE ARG 76 HE ARG 76 -15.989 17.877 5.735 601 HH11 ARG 76 1HH1 ARG 76 -18.364 20.404 5.838 602 HH12 ARG 76 2HH1 ARG 76 -19.148 19.884 4.387 603 HH21 ARG 76 1HH2 ARG 76 -16.895 17.344 3.725 604 HH22 ARG 76 2HH2 ARG 76 -18.327 18.165 3.201 605 HA PRO 77 HA PRO 77 -11.654 21.870 10.881 606 HB2 PRO 77 2HB PRO 77 -11.531 24.561 10.437 607 HB3 PRO 77 1HB PRO 77 -10.142 23.483 10.204 608 HG2 PRO 77 2HG PRO 77 -11.961 24.686 8.191 609 HG3 PRO 77 1HG PRO 77 -10.226 24.355 8.094 610 HD2 PRO 77 2HD PRO 77 -12.186 22.801 6.940 611 HD3 PRO 77 1HD PRO 77 -10.552 22.233 7.345 612 H SER 78 H SER 78 -13.122 22.887 12.391 613 HA SER 78 HA SER 78 -15.911 23.012 11.481 614 HB2 SER 78 2HB SER 78 -16.345 23.187 13.874 615 HB3 SER 78 1HB SER 78 -15.092 21.976 13.619 616 HG SER 78 HG SER 78 -13.663 23.256 14.530 617 H ALA 79 H ALA 79 -17.284 24.926 12.140 618 HA ALA 79 HA ALA 79 -16.326 27.379 11.029 619 HB1 ALA 79 1HB ALA 79 -18.727 26.326 11.672 620 HB2 ALA 79 2HB ALA 79 -18.498 28.057 11.419 621 HB3 ALA 79 3HB ALA 79 -18.515 27.399 13.055 622 H ALA 80 H ALA 80 -16.632 26.292 14.415 623 HA ALA 80 HA ALA 80 -15.774 27.201 16.421 624 HB1 ALA 80 1HB ALA 80 -13.463 28.336 15.926 625 HB2 ALA 80 2HB ALA 80 -13.755 27.804 14.269 626 HB3 ALA 80 3HB ALA 80 -13.662 26.620 15.573 627 HA PRO 81 HA PRO 81 -17.533 31.361 15.542 628 HB2 PRO 81 2HB PRO 81 -19.156 31.451 17.741 629 HB3 PRO 81 1HB PRO 81 -19.637 30.673 16.220 630 HG2 PRO 81 2HG PRO 81 -18.635 29.446 18.737 631 HG3 PRO 81 1HG PRO 81 -19.893 28.880 17.628 632 HD2 PRO 81 2HD PRO 81 -17.356 27.874 17.679 633 HD3 PRO 81 1HD PRO 81 -18.390 27.867 16.233 634 H THR 82 H THR 82 -16.821 33.305 16.470 635 HA THR 82 HA THR 82 -14.978 33.043 18.808 636 HB THR 82 HB THR 82 -14.091 35.194 17.913 637 HG1 THR 82 1HG THR 82 -15.985 35.975 16.988 638 HG21 THR 82 3HG2 THR 82 -13.303 32.934 17.108 639 HG22 THR 82 1HG2 THR 82 -13.051 34.250 15.961 640 HG23 THR 82 2HG2 THR 82 -14.388 33.122 15.730 641 H ALA 83 H ALA 83 -18.010 34.446 17.807 642 HA ALA 83 HA ALA 83 -18.222 35.781 20.471 643 HB1 ALA 83 1HB ALA 83 -17.593 37.256 18.413 644 HB2 ALA 83 2HB ALA 83 -18.892 37.805 19.471 645 HB3 ALA 83 3HB ALA 83 -19.276 37.027 17.937 646 HA PRO 84 HA PRO 84 -22.219 33.943 20.498 647 HB2 PRO 84 2HB PRO 84 -23.657 35.737 21.976 648 HB3 PRO 84 1HB PRO 84 -22.434 34.663 22.685 649 HG2 PRO 84 2HG PRO 84 -22.246 37.544 21.985 650 HG3 PRO 84 1HG PRO 84 -21.548 36.665 23.353 651 HD2 PRO 84 2HD PRO 84 -20.140 37.410 21.123 652 HD3 PRO 84 1HD PRO 84 -19.700 36.047 22.175 653 HA PRO 85 HA PRO 85 -24.790 35.782 17.423 654 HB2 PRO 85 2HB PRO 85 -27.336 35.214 18.246 655 HB3 PRO 85 1HB PRO 85 -26.234 33.981 17.604 656 HG2 PRO 85 2HG PRO 85 -26.944 34.597 20.429 657 HG3 PRO 85 1HG PRO 85 -26.683 33.031 19.646 658 HD2 PRO 85 2HD PRO 85 -24.826 34.251 21.223 659 HD3 PRO 85 1HD PRO 85 -24.413 33.131 19.907 660 H THR 86 H THR 86 -25.935 37.728 16.967 661 HA THR 86 HA THR 86 -26.060 39.679 19.179 662 HB THR 86 HB THR 86 -26.628 41.190 17.206 663 HG1 THR 86 1HG THR 86 -26.718 40.316 15.241 664 HG21 THR 86 3HG2 THR 86 -24.193 39.699 16.398 665 HG22 THR 86 1HG2 THR 86 -24.236 40.263 18.067 666 HG23 THR 86 2HG2 THR 86 -24.400 41.416 16.744 667 H GLY 87 H GLY 87 -28.062 41.028 19.431 668 HA2 GLY 87 2HA GLY 87 -30.437 41.348 19.309 669 HA3 GLY 87 1HA GLY 87 -30.581 39.788 18.498 670 H ALA 88 H ALA 88 -30.993 41.386 21.437 671 HA ALA 88 HA ALA 88 -31.308 38.767 22.855 672 HB1 ALA 88 1HB ALA 88 -29.148 40.085 23.333 673 HB2 ALA 88 2HB ALA 88 -30.116 39.627 24.736 674 HB3 ALA 88 3HB ALA 88 -30.185 41.277 24.117 675 H ALA 89 H ALA 89 -33.237 38.644 23.959 676 HA ALA 89 HA ALA 89 -35.271 40.653 23.657 677 HB1 ALA 89 1HB ALA 89 -36.172 39.084 25.669 678 HB2 ALA 89 2HB ALA 89 -34.863 38.066 25.073 679 HB3 ALA 89 3HB ALA 89 -36.163 38.557 23.987 680 H ASP 90 H ASP 90 -33.100 39.816 26.351 681 HA ASP 90 HA ASP 90 -34.256 41.643 28.268 682 HB2 ASP 90 2HB ASP 90 -31.650 40.155 27.942 683 HB3 ASP 90 1HB ASP 90 -31.882 41.266 29.291 684 H SER 91 H SER 91 -33.750 43.795 28.666 685 HA SER 91 HA SER 91 -31.493 45.064 27.195 686 HB2 SER 91 2HB SER 91 -33.528 45.138 25.764 687 HB3 SER 91 1HB SER 91 -34.396 45.950 27.064 688 HG SER 91 HG SER 91 -32.082 46.871 25.694 689 H ILE 92 H ILE 92 -30.652 46.836 28.327 690 HA ILE 92 HA ILE 92 -32.044 47.569 30.885 691 HB ILE 92 HB ILE 92 -29.087 47.406 30.209 692 HG12 ILE 92 2HG1 ILE 92 -30.148 45.190 30.395 693 HG13 ILE 92 1HG1 ILE 92 -29.088 45.484 31.771 694 HG21 ILE 92 1HG2 ILE 92 -28.858 47.682 32.725 695 HG22 ILE 92 2HG2 ILE 92 -30.562 48.141 32.751 696 HG23 ILE 92 3HG2 ILE 92 -29.397 49.121 31.860 697 HD11 ILE 92 3HD1 ILE 92 -30.871 44.904 33.048 698 HD12 ILE 92 1HD1 ILE 92 -31.999 45.094 31.706 699 HD13 ILE 92 2HD1 ILE 92 -31.508 46.500 32.651 700 H ARG 93 H ARG 93 -32.554 49.702 31.052 701 HA ARG 93 HA ARG 93 -30.888 51.814 29.923 702 HB2 ARG 93 2HB ARG 93 -32.119 50.839 27.960 703 HB3 ARG 93 1HB ARG 93 -33.635 51.293 28.742 704 HG2 ARG 93 2HG ARG 93 -32.870 53.660 28.787 705 HG3 ARG 93 1HG ARG 93 -31.408 53.180 27.923 706 HD2 ARG 93 2HD ARG 93 -34.131 52.507 26.807 707 HD3 ARG 93 1HD ARG 93 -33.381 54.087 26.499 708 HE ARG 93 HE ARG 93 -31.942 51.528 25.902 709 HH11 ARG 93 1HH1 ARG 93 -33.827 53.376 24.073 710 HH12 ARG 93 2HH1 ARG 93 -32.600 54.054 23.056 711 HH21 ARG 93 1HH2 ARG 93 -29.979 52.976 25.057 712 HH22 ARG 93 2HH2 ARG 93 -30.420 53.827 23.614 713 HA PRO 94 HA PRO 94 -33.737 52.863 33.455 714 HB2 PRO 94 2HB PRO 94 -31.804 53.833 35.130 715 HB3 PRO 94 1HB PRO 94 -32.266 52.119 35.076 716 HG2 PRO 94 2HG PRO 94 -29.925 53.488 33.853 717 HG3 PRO 94 1HG PRO 94 -30.029 51.895 34.620 718 HD2 PRO 94 2HD PRO 94 -29.989 52.267 31.919 719 HD3 PRO 94 1HD PRO 94 -30.770 50.879 32.709 720 HA PRO 95 HA PRO 95 -33.757 57.105 32.244 721 HB2 PRO 95 2HB PRO 95 -35.021 58.278 34.364 722 HB3 PRO 95 1HB PRO 95 -35.867 57.272 33.172 723 HG2 PRO 95 2HG PRO 95 -34.946 56.586 35.914 724 HG3 PRO 95 1HG PRO 95 -36.415 56.094 35.058 725 HD2 PRO 95 2HD PRO 95 -34.215 54.495 35.362 726 HD3 PRO 95 1HD PRO 95 -35.383 54.338 34.031 727 HA PRO 96 HA PRO 96 -30.299 59.091 34.136 728 HB2 PRO 96 2HB PRO 96 -30.847 61.734 33.668 729 HB3 PRO 96 1HB PRO 96 -30.296 60.619 32.401 730 HG2 PRO 96 2HG PRO 96 -33.053 61.569 33.018 731 HG3 PRO 96 1HG PRO 96 -32.270 61.324 31.448 732 HD2 PRO 96 2HD PRO 96 -34.029 59.554 32.503 733 HD3 PRO 96 1HD PRO 96 -32.687 59.065 31.443 734 H TYR 97 H TYR 97 -33.558 59.965 35.094 735 HA TYR 97 HA TYR 97 -34.437 60.781 37.130 736 HB2 TYR 97 2HB TYR 97 -32.869 58.663 37.601 737 HB3 TYR 97 1HB TYR 97 -31.932 59.867 38.485 738 HD1 TYR 97 1HD TYR 97 -35.334 58.387 38.144 739 HD2 TYR 97 2HD TYR 97 -32.654 60.681 40.592 740 HE1 TYR 97 1HE TYR 97 -36.942 58.254 40.027 741 HE2 TYR 97 2HE TYR 97 -34.260 60.550 42.476 742 HH TYR 97 HH TYR 97 -36.745 60.209 42.749 743 H SER 98 H SER 98 -34.054 63.044 36.378 744 HA SER 98 HA SER 98 -32.163 64.445 38.189 745 HB2 SER 98 2HB SER 98 -32.003 64.198 35.221 746 HB3 SER 98 1HB SER 98 -31.600 65.764 35.921 747 HG SER 98 HG SER 98 -29.733 64.812 36.212 748 HA PRO 99 HA PRO 99 -35.390 67.439 38.224 749 HB2 PRO 99 2HB PRO 99 -34.014 69.757 38.680 750 HB3 PRO 99 1HB PRO 99 -34.245 68.513 39.925 751 HG2 PRO 99 2HG PRO 99 -31.860 69.094 38.253 752 HG3 PRO 99 1HG PRO 99 -31.958 68.575 39.942 753 HD2 PRO 99 2HD PRO 99 -31.352 66.911 37.848 754 HD3 PRO 99 1HD PRO 99 -32.051 66.368 39.388 Start of MODEL 4 1 H1 MET 1 1HT MET 1 3.700 -41.347 -45.532 2 H2 MET 1 2HT MET 1 2.020 -41.594 -45.500 3 H3 MET 1 3HT MET 1 2.980 -42.083 -44.185 4 HA MET 1 HA MET 1 2.288 -39.317 -45.014 5 HB2 MET 1 2HB MET 1 1.959 -41.067 -42.558 6 HB3 MET 1 1HB MET 1 1.578 -39.346 -42.575 7 HG2 MET 1 2HG MET 1 -0.053 -39.699 -44.371 8 HG3 MET 1 1HG MET 1 0.355 -41.413 -44.426 9 HE1 MET 1 2HE MET 1 -0.099 -38.957 -41.276 10 HE2 MET 1 3HE MET 1 -1.852 -39.093 -41.161 11 HE3 MET 1 1HE MET 1 -1.103 -38.489 -42.645 12 H GLY 2 H GLY 2 4.243 -38.227 -45.196 13 HA2 GLY 2 2HA GLY 2 6.495 -38.856 -43.415 14 HA3 GLY 2 1HA GLY 2 6.483 -37.624 -44.678 15 H ASN 3 H ASN 3 7.569 -36.892 -42.297 16 HA ASN 3 HA ASN 3 5.481 -35.520 -40.685 17 HB2 ASN 3 2HB ASN 3 7.348 -36.833 -39.662 18 HB3 ASN 3 1HB ASN 3 8.499 -35.705 -40.380 19 HD21 ASN 3 1HD2 ASN 3 8.248 -36.058 -37.520 20 HD22 ASN 3 2HD2 ASN 3 7.665 -34.605 -36.865 21 H LYS 4 H LYS 4 4.839 -33.598 -41.644 22 HA LYS 4 HA LYS 4 6.948 -31.832 -42.835 23 HB2 LYS 4 2HB LYS 4 3.943 -32.045 -43.198 24 HB3 LYS 4 1HB LYS 4 4.940 -30.817 -43.977 25 HG2 LYS 4 2HG LYS 4 6.272 -32.589 -45.067 26 HG3 LYS 4 1HG LYS 4 5.268 -33.816 -44.295 27 HD2 LYS 4 2HD LYS 4 4.163 -31.661 -46.116 28 HD3 LYS 4 1HD LYS 4 4.608 -33.273 -46.675 29 HE2 LYS 4 2HE LYS 4 3.000 -34.278 -45.082 30 HE3 LYS 4 1HE LYS 4 2.541 -32.654 -44.531 31 HZ1 LYS 4 3HZ LYS 4 1.036 -33.322 -46.259 32 HZ2 LYS 4 1HZ LYS 4 2.317 -33.723 -47.295 33 HZ3 LYS 4 2HZ LYS 4 2.044 -32.100 -46.874 34 H GLN 5 H GLN 5 7.215 -29.767 -41.987 35 HA GLN 5 HA GLN 5 5.496 -29.018 -39.640 36 HB2 GLN 5 2HB GLN 5 8.423 -28.553 -40.291 37 HB3 GLN 5 1HB GLN 5 7.601 -27.796 -38.926 38 HG2 GLN 5 2HG GLN 5 7.048 -29.995 -38.003 39 HG3 GLN 5 1HG GLN 5 7.797 -30.784 -39.391 40 HE21 GLN 5 1HE2 GLN 5 8.421 -29.832 -36.225 41 HE22 GLN 5 2HE2 GLN 5 10.115 -29.771 -36.300 42 H ALA 6 H ALA 6 4.524 -28.249 -42.103 43 HA ALA 6 HA ALA 6 5.491 -25.768 -43.157 44 HB1 ALA 6 1HB ALA 6 3.903 -27.312 -44.272 45 HB2 ALA 6 2HB ALA 6 3.241 -25.680 -44.176 46 HB3 ALA 6 3HB ALA 6 2.683 -26.923 -43.057 47 H LYS 7 H LYS 7 3.118 -26.485 -40.594 48 HA LYS 7 HA LYS 7 3.224 -23.590 -39.806 49 HB2 LYS 7 2HB LYS 7 1.103 -24.286 -40.918 50 HB3 LYS 7 1HB LYS 7 0.882 -25.520 -39.675 51 HG2 LYS 7 2HG LYS 7 0.828 -23.783 -37.936 52 HG3 LYS 7 1HG LYS 7 1.093 -22.538 -39.158 53 HD2 LYS 7 2HD LYS 7 -1.019 -23.184 -40.270 54 HD3 LYS 7 1HD LYS 7 -1.289 -24.411 -39.033 55 HE2 LYS 7 2HE LYS 7 -1.344 -22.659 -37.289 56 HE3 LYS 7 1HE LYS 7 -1.074 -21.420 -38.531 57 HZ1 LYS 7 3HZ LYS 7 -3.445 -21.731 -38.083 58 HZ2 LYS 7 1HZ LYS 7 -3.319 -23.367 -38.510 59 HZ3 LYS 7 2HZ LYS 7 -3.055 -22.163 -39.680 60 H ALA 8 H ALA 8 3.825 -23.291 -37.690 61 HA ALA 8 HA ALA 8 3.678 -25.664 -35.867 62 HB1 ALA 8 1HB ALA 8 5.784 -24.668 -34.866 63 HB2 ALA 8 2HB ALA 8 5.799 -23.528 -36.212 64 HB3 ALA 8 3HB ALA 8 5.962 -25.257 -36.519 65 HA PRO 9 HA PRO 9 1.272 -22.740 -33.466 66 HB2 PRO 9 2HB PRO 9 0.884 -24.310 -31.260 67 HB3 PRO 9 1HB PRO 9 -0.013 -24.546 -32.772 68 HG2 PRO 9 2HG PRO 9 2.327 -26.043 -31.710 69 HG3 PRO 9 1HG PRO 9 0.905 -26.636 -32.581 70 HD2 PRO 9 2HD PRO 9 3.346 -26.257 -33.743 71 HD3 PRO 9 1HD PRO 9 1.807 -26.182 -34.628 72 H GLU 10 H GLU 10 1.795 -21.269 -31.791 73 HA GLU 10 HA GLU 10 4.222 -21.845 -30.139 74 HB2 GLU 10 2HB GLU 10 3.665 -19.441 -31.903 75 HB3 GLU 10 1HB GLU 10 4.969 -19.502 -30.716 76 HG2 GLU 10 2HG GLU 10 5.936 -21.454 -31.855 77 HG3 GLU 10 1HG GLU 10 4.617 -21.437 -33.023 78 H SER 11 H SER 11 3.145 -21.836 -28.147 79 HA SER 11 HA SER 11 1.932 -20.983 -26.303 80 HB2 SER 11 2HB SER 11 3.800 -19.330 -26.646 81 HB3 SER 11 1HB SER 11 2.708 -18.365 -27.635 82 HG SER 11 HG SER 11 2.736 -18.818 -24.881 83 H LYS 12 H LYS 12 0.134 -19.084 -25.861 84 HA LYS 12 HA LYS 12 -2.075 -19.724 -27.690 85 HB2 LYS 12 2HB LYS 12 -1.939 -19.414 -25.066 86 HB3 LYS 12 1HB LYS 12 -2.196 -17.714 -25.464 87 HG2 LYS 12 2HG LYS 12 -4.244 -18.250 -26.659 88 HG3 LYS 12 1HG LYS 12 -3.963 -19.978 -26.432 89 HD2 LYS 12 2HD LYS 12 -4.111 -19.687 -23.989 90 HD3 LYS 12 1HD LYS 12 -4.394 -17.961 -24.212 91 HE2 LYS 12 2HE LYS 12 -6.463 -18.450 -25.471 92 HE3 LYS 12 1HE LYS 12 -6.183 -20.189 -25.248 93 HZ1 LYS 12 3HZ LYS 12 -6.331 -18.230 -23.021 94 HZ2 LYS 12 1HZ LYS 12 -6.237 -19.918 -22.890 95 HZ3 LYS 12 2HZ LYS 12 -7.638 -19.194 -23.519 96 H ASP 13 H ASP 13 -2.664 -18.461 -29.396 97 HA ASP 13 HA ASP 13 -1.253 -16.078 -30.165 98 HB2 ASP 13 2HB ASP 13 -2.541 -17.760 -31.593 99 HB3 ASP 13 1HB ASP 13 -4.015 -16.967 -31.038 100 H SER 14 H SER 14 -4.409 -16.599 -28.594 101 HA SER 14 HA SER 14 -4.495 -13.663 -27.974 102 HB2 SER 14 2HB SER 14 -6.834 -15.547 -28.387 103 HB3 SER 14 1HB SER 14 -6.892 -13.791 -28.265 104 HG SER 14 HG SER 14 -5.873 -13.630 -30.215 105 HA PRO 15 HA PRO 15 -4.347 -15.964 -24.000 106 HB2 PRO 15 2HB PRO 15 -2.957 -14.043 -22.636 107 HB3 PRO 15 1HB PRO 15 -2.168 -15.271 -23.644 108 HG2 PRO 15 2HG PRO 15 -2.767 -12.422 -24.256 109 HG3 PRO 15 1HG PRO 15 -1.349 -13.395 -24.674 110 HD2 PRO 15 2HD PRO 15 -3.360 -12.820 -26.427 111 HD3 PRO 15 1HD PRO 15 -2.335 -14.268 -26.540 112 H ARG 16 H ARG 16 -5.502 -15.506 -22.021 113 HA ARG 16 HA ARG 16 -7.414 -13.214 -22.241 114 HB2 ARG 16 2HB ARG 16 -8.293 -15.550 -22.214 115 HB3 ARG 16 1HB ARG 16 -7.538 -15.792 -20.637 116 HG2 ARG 16 2HG ARG 16 -8.889 -13.933 -19.714 117 HG3 ARG 16 1HG ARG 16 -9.663 -13.725 -21.286 118 HD2 ARG 16 2HD ARG 16 -9.728 -16.323 -19.710 119 HD3 ARG 16 1HD ARG 16 -11.033 -15.120 -19.702 120 HE ARG 16 HE ARG 16 -10.396 -15.634 -22.415 121 HH11 ARG 16 1HH1 ARG 16 -12.694 -16.328 -20.143 122 HH12 ARG 16 2HH1 ARG 16 -13.203 -17.836 -20.827 123 HH21 ARG 16 1HH2 ARG 16 -10.584 -17.989 -23.097 124 HH22 ARG 16 2HH2 ARG 16 -12.007 -18.778 -22.502 125 H ALA 17 H ALA 17 -7.394 -11.657 -20.665 126 HA ALA 17 HA ALA 17 -5.227 -11.420 -18.805 127 HB1 ALA 17 1HB ALA 17 -7.852 -10.025 -18.402 128 HB2 ALA 17 2HB ALA 17 -6.964 -9.722 -19.896 129 HB3 ALA 17 3HB ALA 17 -6.218 -9.365 -18.339 130 H SER 18 H SER 18 -5.135 -13.228 -17.414 131 HA SER 18 HA SER 18 -7.321 -14.419 -16.024 132 HB2 SER 18 2HB SER 18 -4.358 -14.168 -15.444 133 HB3 SER 18 1HB SER 18 -5.436 -15.177 -14.484 134 HG SER 18 HG SER 18 -4.827 -16.555 -16.006 135 H LEU 19 H LEU 19 -5.186 -11.685 -15.143 136 HA LEU 19 HA LEU 19 -6.212 -11.329 -12.456 137 HB2 LEU 19 2HB LEU 19 -4.831 -9.479 -14.446 138 HB3 LEU 19 1HB LEU 19 -5.148 -9.053 -12.766 139 HG LEU 19 HG LEU 19 -3.596 -11.506 -13.581 140 HD11 LEU 19 1HD1 LEU 19 -2.554 -8.785 -12.744 141 HD12 LEU 19 2HD1 LEU 19 -2.495 -9.422 -14.387 142 HD13 LEU 19 3HD1 LEU 19 -1.571 -10.204 -13.104 143 HD21 LEU 19 3HD2 LEU 19 -4.228 -11.805 -11.342 144 HD22 LEU 19 1HD2 LEU 19 -4.197 -10.075 -11.004 145 HD23 LEU 19 2HD2 LEU 19 -2.684 -10.969 -11.166 146 H ILE 20 H ILE 20 -7.916 -10.010 -11.768 147 HA ILE 20 HA ILE 20 -9.530 -8.654 -13.903 148 HB ILE 20 HB ILE 20 -11.528 -9.403 -12.640 149 HG12 ILE 20 2HG1 ILE 20 -9.606 -11.079 -11.001 150 HG13 ILE 20 1HG1 ILE 20 -10.272 -9.550 -10.426 151 HG21 ILE 20 1HG2 ILE 20 -10.291 -10.786 -14.457 152 HG22 ILE 20 2HG2 ILE 20 -11.504 -11.605 -13.470 153 HG23 ILE 20 3HG2 ILE 20 -9.789 -11.814 -13.116 154 HD11 ILE 20 3HD1 ILE 20 -12.512 -10.389 -10.510 155 HD12 ILE 20 1HD1 ILE 20 -11.552 -11.640 -9.721 156 HD13 ILE 20 2HD1 ILE 20 -12.012 -11.819 -11.414 157 HA PRO 21 HA PRO 21 -9.393 -5.121 -11.253 158 HB2 PRO 21 2HB PRO 21 -11.815 -3.943 -11.723 159 HB3 PRO 21 1HB PRO 21 -10.501 -3.943 -12.915 160 HG2 PRO 21 2HG PRO 21 -12.945 -5.622 -12.792 161 HG3 PRO 21 1HG PRO 21 -12.100 -4.956 -14.196 162 HD2 PRO 21 2HD PRO 21 -11.905 -7.567 -13.360 163 HD3 PRO 21 1HD PRO 21 -10.679 -6.730 -14.337 164 H ASP 22 H ASP 22 -11.138 -3.870 -9.655 165 HA ASP 22 HA ASP 22 -12.279 -4.013 -7.590 166 HB2 ASP 22 2HB ASP 22 -13.918 -4.952 -9.330 167 HB3 ASP 22 1HB ASP 22 -13.431 -6.551 -8.771 168 H ALA 23 H ALA 23 -9.663 -5.112 -7.595 169 HA ALA 23 HA ALA 23 -9.822 -7.706 -6.155 170 HB1 ALA 23 1HB ALA 23 -8.148 -7.302 -7.937 171 HB2 ALA 23 2HB ALA 23 -7.362 -7.592 -6.386 172 HB3 ALA 23 3HB ALA 23 -7.496 -5.949 -7.012 173 H THR 24 H THR 24 -9.508 -7.865 -3.949 174 HA THR 24 HA THR 24 -8.808 -5.352 -2.459 175 HB THR 24 HB THR 24 -10.458 -6.155 -0.770 176 HG1 THR 24 1HG THR 24 -11.846 -7.877 -1.525 177 HG21 THR 24 3HG2 THR 24 -12.410 -5.536 -2.015 178 HG22 THR 24 1HG2 THR 24 -11.686 -6.071 -3.532 179 HG23 THR 24 2HG2 THR 24 -11.061 -4.640 -2.714 180 H HIS 25 H HIS 25 -7.166 -7.781 -3.303 181 HA HIS 25 HA HIS 25 -6.054 -8.368 -0.601 182 HB2 HIS 25 2HB HIS 25 -6.032 -10.792 -1.175 183 HB3 HIS 25 1HB HIS 25 -7.676 -10.150 -1.154 184 HD2 HIS 25 2HD HIS 25 -4.937 -10.717 -4.015 185 HE1 HIS 25 1HE HIS 25 -8.791 -11.345 -5.629 186 HE2 HIS 25 2HE HIS 25 -6.307 -11.379 -6.134 187 H LEU 26 H LEU 26 -3.839 -9.328 -0.788 188 HA LEU 26 HA LEU 26 -2.517 -9.212 -3.414 189 HB2 LEU 26 2HB LEU 26 -2.751 -6.854 -2.613 190 HB3 LEU 26 1HB LEU 26 -1.787 -7.276 -1.196 191 HG LEU 26 HG LEU 26 0.032 -8.039 -2.763 192 HD11 LEU 26 1HD1 LEU 26 -1.790 -6.719 -4.798 193 HD12 LEU 26 2HD1 LEU 26 -1.328 -8.420 -4.758 194 HD13 LEU 26 3HD1 LEU 26 -0.119 -7.188 -5.106 195 HD21 LEU 26 3HD2 LEU 26 -0.958 -5.197 -2.680 196 HD22 LEU 26 1HD2 LEU 26 0.514 -5.610 -3.552 197 HD23 LEU 26 2HD2 LEU 26 0.404 -5.918 -1.821 198 H GLY 27 H GLY 27 -1.706 -8.974 0.067 199 HA2 GLY 27 2HA GLY 27 -0.509 -10.474 1.428 200 HA3 GLY 27 1HA GLY 27 -0.481 -11.614 0.084 201 HA PRO 28 HA PRO 28 3.520 -8.943 0.344 202 HB2 PRO 28 2HB PRO 28 4.972 -10.063 2.362 203 HB3 PRO 28 1HB PRO 28 3.888 -8.681 2.621 204 HG2 PRO 28 2HG PRO 28 3.449 -11.563 3.203 205 HG3 PRO 28 1HG PRO 28 2.969 -10.139 4.135 206 HD2 PRO 28 2HD PRO 28 1.264 -11.558 2.545 207 HD3 PRO 28 1HD PRO 28 1.057 -9.837 2.927 208 H GLN 29 H GLN 29 5.139 -9.751 -0.982 209 HA GLN 29 HA GLN 29 5.794 -12.653 -0.926 210 HB2 GLN 29 2HB GLN 29 5.482 -11.882 -3.674 211 HB3 GLN 29 1HB GLN 29 4.560 -13.083 -2.785 212 HG2 GLN 29 2HG GLN 29 2.987 -11.342 -2.026 213 HG3 GLN 29 1HG GLN 29 3.927 -10.108 -2.860 214 HE21 GLN 29 1HE2 GLN 29 1.082 -11.214 -3.283 215 HE22 GLN 29 2HE2 GLN 29 1.027 -11.577 -4.940 216 H PHE 30 H PHE 30 6.402 -10.181 -3.404 217 HA PHE 30 HA PHE 30 9.258 -10.014 -2.557 218 HB2 PHE 30 2HB PHE 30 8.154 -10.770 -5.277 219 HB3 PHE 30 1HB PHE 30 9.852 -10.411 -4.965 220 HD1 PHE 30 1HD PHE 30 11.244 -11.919 -3.633 221 HD2 PHE 30 2HD PHE 30 7.109 -12.801 -4.398 222 HE1 PHE 30 1HE PHE 30 11.595 -14.248 -2.856 223 HE2 PHE 30 2HE PHE 30 7.462 -15.130 -3.622 224 HZ PHE 30 HZ PHE 30 9.705 -15.853 -2.852 225 H CYS 31 H CYS 31 10.061 -7.908 -2.864 226 HA CYS 31 HA CYS 31 8.182 -5.832 -3.634 227 HB2 CYS 31 2HB CYS 31 10.048 -5.640 -1.939 228 HB3 CYS 31 1HB CYS 31 11.192 -5.667 -3.281 229 HG CYS 31 HG CYS 31 10.553 -3.149 -2.713 230 H LYS 32 H LYS 32 7.740 -5.281 -5.707 231 HA LYS 32 HA LYS 32 9.590 -6.136 -7.870 232 HB2 LYS 32 2HB LYS 32 6.757 -5.060 -7.776 233 HB3 LYS 32 1HB LYS 32 7.599 -5.457 -9.274 234 HG2 LYS 32 2HG LYS 32 7.909 -7.775 -8.493 235 HG3 LYS 32 1HG LYS 32 7.068 -7.382 -6.992 236 HD2 LYS 32 2HD LYS 32 5.037 -6.816 -8.263 237 HD3 LYS 32 1HD LYS 32 5.873 -7.183 -9.773 238 HE2 LYS 32 2HE LYS 32 6.188 -9.526 -9.039 239 HE3 LYS 32 1HE LYS 32 5.340 -9.159 -7.523 240 HZ1 LYS 32 3HZ LYS 32 3.463 -8.342 -8.893 241 HZ2 LYS 32 1HZ LYS 32 3.747 -10.003 -9.076 242 HZ3 LYS 32 2HZ LYS 32 4.258 -8.918 -10.280 243 H SER 33 H SER 33 8.918 -3.318 -6.026 244 HA SER 33 HA SER 33 9.270 -1.322 -8.112 245 HB2 SER 33 2HB SER 33 9.345 -1.380 -5.097 246 HB3 SER 33 1HB SER 33 9.600 0.110 -5.999 247 HG SER 33 HG SER 33 7.562 0.048 -6.699 248 H CYS 34 H CYS 34 11.410 -1.948 -5.272 249 HA CYS 34 HA CYS 34 13.664 -0.826 -6.780 250 HB2 CYS 34 2HB CYS 34 14.895 -1.077 -4.682 251 HB3 CYS 34 1HB CYS 34 13.333 -0.320 -4.387 252 HG CYS 34 HG CYS 34 12.473 -2.688 -3.518 253 H TRP 35 H TRP 35 12.822 -4.069 -5.499 254 HA TRP 35 HA TRP 35 14.036 -5.551 -7.593 255 HB2 TRP 35 2HB TRP 35 16.120 -6.293 -6.208 256 HB3 TRP 35 1HB TRP 35 16.192 -4.727 -7.007 257 HD1 TRP 35 HD TRP 35 14.728 -5.877 -3.596 258 HE1 TRP 35 1HE TRP 35 15.584 -4.263 -1.775 259 HE3 TRP 35 3HE TRP 35 17.619 -2.779 -6.446 260 HZ2 TRP 35 2HZ TRP 35 17.263 -1.959 -1.557 261 HZ3 TRP 35 3HZ TRP 35 18.826 -0.880 -5.409 262 HH2 TRP 35 HH TRP 35 18.653 -0.465 -2.970 263 H PHE 36 H PHE 36 14.502 -7.917 -6.781 264 HA PHE 36 HA PHE 36 12.244 -8.769 -5.115 265 HB2 PHE 36 2HB PHE 36 14.565 -10.188 -6.454 266 HB3 PHE 36 1HB PHE 36 13.226 -11.019 -5.669 267 HD1 PHE 36 1HD PHE 36 10.941 -10.907 -6.612 268 HD2 PHE 36 2HD PHE 36 14.284 -9.068 -8.591 269 HE1 PHE 36 1HE PHE 36 9.616 -10.746 -8.703 270 HE2 PHE 36 2HE PHE 36 12.957 -8.906 -10.681 271 HZ PHE 36 HZ PHE 36 10.625 -9.748 -10.739 272 H GLU 37 H GLU 37 12.548 -8.334 -2.927 273 HA GLU 37 HA GLU 37 14.834 -9.682 -1.564 274 HB2 GLU 37 2HB GLU 37 14.049 -6.761 -1.430 275 HB3 GLU 37 1HB GLU 37 14.996 -7.525 -0.152 276 HG2 GLU 37 2HG GLU 37 15.760 -7.530 -3.083 277 HG3 GLU 37 1HG GLU 37 16.413 -6.409 -1.892 278 H ASN 38 H ASN 38 14.345 -10.258 0.618 279 HA ASN 38 HA ASN 38 11.465 -9.948 1.414 280 HB2 ASN 38 2HB ASN 38 13.429 -12.245 1.686 281 HB3 ASN 38 1HB ASN 38 11.858 -12.216 2.487 282 HD21 ASN 38 1HD2 ASN 38 12.575 -14.163 0.451 283 HD22 ASN 38 2HD2 ASN 38 11.557 -13.903 -0.881 284 H LYS 39 H LYS 39 14.174 -8.508 2.125 285 HA LYS 39 HA LYS 39 14.836 -9.091 4.847 286 HB2 LYS 39 2HB LYS 39 15.030 -6.608 3.117 287 HB3 LYS 39 1HB LYS 39 15.807 -6.752 4.695 288 HG2 LYS 39 2HG LYS 39 17.063 -8.718 3.915 289 HG3 LYS 39 1HG LYS 39 16.266 -8.616 2.344 290 HD2 LYS 39 2HD LYS 39 17.235 -6.370 2.000 291 HD3 LYS 39 1HD LYS 39 18.042 -6.481 3.564 292 HE2 LYS 39 2HE LYS 39 19.313 -8.452 2.785 293 HE3 LYS 39 1HE LYS 39 18.500 -8.351 1.210 294 HZ1 LYS 39 3HZ LYS 39 19.274 -6.006 1.095 295 HZ2 LYS 39 1HZ LYS 39 20.531 -7.142 1.040 296 HZ3 LYS 39 2HZ LYS 39 20.221 -6.289 2.477 297 H GLY 40 H GLY 40 12.583 -6.669 3.469 298 HA2 GLY 40 2HA GLY 40 10.979 -6.737 5.935 299 HA3 GLY 40 1HA GLY 40 11.765 -5.191 5.608 300 H LEU 41 H LEU 41 10.081 -7.620 3.602 301 HA LEU 41 HA LEU 41 8.977 -5.662 1.800 302 HB2 LEU 41 2HB LEU 41 9.422 -8.044 1.289 303 HB3 LEU 41 1HB LEU 41 8.145 -8.510 2.411 304 HG LEU 41 HG LEU 41 6.504 -7.242 1.050 305 HD11 LEU 41 1HD1 LEU 41 7.922 -5.547 0.062 306 HD12 LEU 41 2HD1 LEU 41 7.269 -6.524 -1.253 307 HD13 LEU 41 3HD1 LEU 41 8.929 -6.771 -0.712 308 HD21 LEU 41 3HD2 LEU 41 8.193 -9.413 -0.153 309 HD22 LEU 41 1HD2 LEU 41 6.848 -8.738 -1.073 310 HD23 LEU 41 2HD2 LEU 41 6.554 -9.508 0.488 311 H VAL 42 H VAL 42 7.101 -4.539 1.904 312 HA VAL 42 HA VAL 42 5.088 -5.208 4.024 313 HB VAL 42 HB VAL 42 6.100 -2.502 3.059 314 HG11 VAL 42 1HG1 VAL 42 3.934 -3.318 4.997 315 HG12 VAL 42 2HG1 VAL 42 3.831 -2.178 3.655 316 HG13 VAL 42 3HG1 VAL 42 4.727 -1.747 5.114 317 HG21 VAL 42 3HG2 VAL 42 6.414 -3.883 5.745 318 HG22 VAL 42 1HG2 VAL 42 7.055 -2.299 5.310 319 HG23 VAL 42 2HG2 VAL 42 7.683 -3.750 4.527 320 H GLU 43 H GLU 43 3.345 -5.921 2.854 321 HA GLU 43 HA GLU 43 2.929 -5.358 0.075 322 HB2 GLU 43 2HB GLU 43 0.850 -6.591 0.444 323 HB3 GLU 43 1HB GLU 43 2.157 -7.360 1.341 324 HG2 GLU 43 2HG GLU 43 1.418 -6.077 3.382 325 HG3 GLU 43 1HG GLU 43 0.031 -5.506 2.456 326 H CYS 44 H CYS 44 1.929 -3.746 -0.919 327 HA CYS 44 HA CYS 44 0.607 -1.551 0.578 328 HB2 CYS 44 2HB CYS 44 2.200 -1.685 -1.657 329 HB3 CYS 44 1HB CYS 44 0.606 -1.732 -2.402 330 HG CYS 44 HG CYS 44 0.130 0.565 -1.007 331 H ASN 45 H ASN 45 -1.740 -0.999 -0.578 332 HA ASN 45 HA ASN 45 -3.505 -3.154 -0.098 333 HB2 ASN 45 2HB ASN 45 -3.622 -0.692 -1.849 334 HB3 ASN 45 1HB ASN 45 -5.003 -1.782 -1.727 335 HD21 ASN 45 1HD2 ASN 45 -5.083 -2.487 0.933 336 HD22 ASN 45 2HD2 ASN 45 -5.243 -1.113 1.919 337 H ASN 46 H ASN 46 -2.926 -1.954 -3.422 338 HA ASN 46 HA ASN 46 -3.037 -4.784 -4.395 339 HB2 ASN 46 2HB ASN 46 -3.697 -2.138 -5.717 340 HB3 ASN 46 1HB ASN 46 -3.765 -3.705 -6.528 341 HD21 ASN 46 1HD2 ASN 46 -4.914 -5.369 -4.634 342 HD22 ASN 46 2HD2 ASN 46 -6.459 -4.810 -4.208 343 H HIS 47 H HIS 47 -0.574 -3.353 -3.390 344 HA HIS 47 HA HIS 47 1.133 -3.790 -5.790 345 HB2 HIS 47 2HB HIS 47 0.715 -1.543 -6.178 346 HB3 HIS 47 1HB HIS 47 0.338 -1.228 -4.495 347 HD2 HIS 47 2HD HIS 47 3.857 -2.389 -5.954 348 HE1 HIS 47 1HE HIS 47 4.359 1.216 -3.824 349 HE2 HIS 47 2HE HIS 47 5.563 -0.664 -5.021 350 H TYR 48 H TYR 48 3.466 -4.060 -5.151 351 HA TYR 48 HA TYR 48 3.764 -4.781 -2.257 352 HB2 TYR 48 2HB TYR 48 5.553 -5.526 -4.585 353 HB3 TYR 48 1HB TYR 48 5.484 -6.287 -3.000 354 HD1 TYR 48 1HD TYR 48 3.385 -7.544 -2.332 355 HD2 TYR 48 2HD TYR 48 4.131 -6.195 -6.336 356 HE1 TYR 48 1HE TYR 48 1.688 -9.141 -3.183 357 HE2 TYR 48 2HE TYR 48 2.438 -7.786 -7.193 358 HH TYR 48 HH TYR 48 0.302 -9.510 -5.086 359 H LEU 49 H LEU 49 5.181 -3.667 -1.021 360 HA LEU 49 HA LEU 49 7.439 -2.178 -2.249 361 HB2 LEU 49 2HB LEU 49 5.056 -1.024 -1.016 362 HB3 LEU 49 1HB LEU 49 6.518 -0.532 -0.163 363 HG LEU 49 HG LEU 49 6.051 -0.278 -3.143 364 HD11 LEU 49 1HD1 LEU 49 4.806 1.331 -1.626 365 HD12 LEU 49 2HD1 LEU 49 5.909 2.083 -2.778 366 HD13 LEU 49 3HD1 LEU 49 6.383 1.911 -1.089 367 HD21 LEU 49 3HD2 LEU 49 8.416 0.310 -1.371 368 HD22 LEU 49 1HD2 LEU 49 8.181 1.167 -2.895 369 HD23 LEU 49 2HD2 LEU 49 8.380 -0.582 -2.892 370 H CYS 50 H CYS 50 9.255 -2.064 -0.769 371 HA CYS 50 HA CYS 50 8.856 -3.715 1.691 372 HB2 CYS 50 2HB CYS 50 11.139 -4.481 1.400 373 HB3 CYS 50 1HB CYS 50 10.308 -4.656 -0.137 374 HG CYS 50 HG CYS 50 12.148 -3.315 -1.071 375 H LEU 51 H LEU 51 10.029 -3.057 3.596 376 HA LEU 51 HA LEU 51 9.812 -0.327 4.281 377 HB2 LEU 51 2HB LEU 51 10.066 -2.547 5.655 378 HB3 LEU 51 1HB LEU 51 11.790 -2.181 5.574 379 HG LEU 51 HG LEU 51 10.910 0.240 6.299 380 HD11 LEU 51 1HD1 LEU 51 8.607 -0.060 6.495 381 HD12 LEU 51 2HD1 LEU 51 9.136 -0.367 8.150 382 HD13 LEU 51 3HD1 LEU 51 8.772 -1.717 7.077 383 HD21 LEU 51 3HD2 LEU 51 10.997 -1.761 8.515 384 HD22 LEU 51 1HD2 LEU 51 11.861 -0.231 8.350 385 HD23 LEU 51 2HD2 LEU 51 12.408 -1.653 7.461 386 H ASN 52 H ASN 52 12.498 -2.102 2.838 387 HA ASN 52 HA ASN 52 14.639 -0.317 3.407 388 HB2 ASN 52 2HB ASN 52 13.948 -2.336 1.325 389 HB3 ASN 52 1HB ASN 52 15.329 -1.297 1.010 390 HD21 ASN 52 1HD2 ASN 52 17.089 -1.331 2.650 391 HD22 ASN 52 2HD2 ASN 52 17.293 -2.699 3.632 392 H CYS 53 H CYS 53 12.490 -0.383 0.499 393 HA CYS 53 HA CYS 53 13.507 2.311 -0.250 394 HB2 CYS 53 2HB CYS 53 12.388 1.872 -2.380 395 HB3 CYS 53 1HB CYS 53 13.382 0.493 -1.930 396 HG CYS 53 HG CYS 53 10.604 0.169 -2.634 397 H LEU 54 H LEU 54 10.656 0.732 1.012 398 HA LEU 54 HA LEU 54 8.683 2.730 0.532 399 HB2 LEU 54 2HB LEU 54 8.232 0.454 1.330 400 HB3 LEU 54 1HB LEU 54 9.089 0.785 2.833 401 HG LEU 54 HG LEU 54 6.787 2.516 2.015 402 HD11 LEU 54 1HD1 LEU 54 5.763 0.378 1.864 403 HD12 LEU 54 2HD1 LEU 54 5.413 0.921 3.506 404 HD13 LEU 54 3HD1 LEU 54 6.704 -0.246 3.221 405 HD21 LEU 54 3HD2 LEU 54 6.635 2.188 4.697 406 HD22 LEU 54 1HD2 LEU 54 7.649 3.421 3.950 407 HD23 LEU 54 2HD2 LEU 54 8.358 1.891 4.465 408 H THR 55 H THR 55 10.933 2.319 3.278 409 HA THR 55 HA THR 55 10.029 4.586 4.793 410 HB THR 55 HB THR 55 12.690 3.148 4.632 411 HG1 THR 55 1HG THR 55 11.865 1.984 6.339 412 HG21 THR 55 3HG2 THR 55 13.006 5.320 5.704 413 HG22 THR 55 1HG2 THR 55 13.047 4.059 6.937 414 HG23 THR 55 2HG2 THR 55 11.599 5.044 6.730 415 H LEU 56 H LEU 56 12.712 4.234 2.433 416 HA LEU 56 HA LEU 56 13.699 6.915 2.614 417 HB2 LEU 56 2HB LEU 56 14.890 5.009 1.598 418 HB3 LEU 56 1HB LEU 56 13.692 4.940 0.306 419 HG LEU 56 HG LEU 56 14.316 7.239 -0.383 420 HD11 LEU 56 1HD1 LEU 56 15.152 8.397 1.440 421 HD12 LEU 56 2HD1 LEU 56 16.669 7.907 0.686 422 HD13 LEU 56 3HD1 LEU 56 16.033 6.998 2.056 423 HD21 LEU 56 3HD2 LEU 56 16.947 5.854 -0.228 424 HD22 LEU 56 1HD2 LEU 56 16.100 6.506 -1.632 425 HD23 LEU 56 2HD2 LEU 56 15.621 4.949 -0.957 426 H LEU 57 H LEU 57 11.269 5.477 0.414 427 HA LEU 57 HA LEU 57 10.660 8.200 -0.648 428 HB2 LEU 57 2HB LEU 57 11.048 6.219 -2.150 429 HB3 LEU 57 1HB LEU 57 9.618 5.464 -1.447 430 HG LEU 57 HG LEU 57 9.088 8.212 -2.314 431 HD11 LEU 57 1HD1 LEU 57 10.042 6.183 -4.343 432 HD12 LEU 57 2HD1 LEU 57 10.721 7.782 -4.033 433 HD13 LEU 57 3HD1 LEU 57 9.119 7.627 -4.758 434 HD21 LEU 57 3HD2 LEU 57 7.566 6.050 -1.809 435 HD22 LEU 57 1HD2 LEU 57 7.773 5.828 -3.547 436 HD23 LEU 57 2HD2 LEU 57 7.051 7.312 -2.928 437 H LEU 58 H LEU 58 9.719 6.673 2.070 438 HA LEU 58 HA LEU 58 7.746 6.735 3.393 439 HB2 LEU 58 2HB LEU 58 7.476 8.932 1.410 440 HB3 LEU 58 1HB LEU 58 5.974 8.398 2.144 441 HG LEU 58 HG LEU 58 8.386 8.921 3.853 442 HD11 LEU 58 1HD1 LEU 58 6.546 11.179 3.721 443 HD12 LEU 58 2HD1 LEU 58 7.277 10.867 2.148 444 HD13 LEU 58 3HD1 LEU 58 8.301 11.164 3.551 445 HD21 LEU 58 3HD2 LEU 58 6.190 9.748 5.222 446 HD22 LEU 58 1HD2 LEU 58 6.762 8.078 5.238 447 HD23 LEU 58 2HD2 LEU 58 5.449 8.550 4.160 448 H SER 59 H SER 59 5.912 5.338 3.449 449 HA SER 59 HA SER 59 5.450 3.677 1.111 450 HB2 SER 59 2HB SER 59 3.589 2.791 2.520 451 HB3 SER 59 1HB SER 59 5.101 2.892 3.414 452 HG SER 59 HG SER 59 4.193 4.276 4.695 453 H VAL 60 H VAL 60 3.204 5.818 2.844 454 HA VAL 60 HA VAL 60 2.334 7.060 0.290 455 HB VAL 60 HB VAL 60 -0.034 6.636 0.893 456 HG11 VAL 60 1HG1 VAL 60 1.194 3.921 0.905 457 HG12 VAL 60 2HG1 VAL 60 1.607 4.997 -0.429 458 HG13 VAL 60 3HG1 VAL 60 -0.078 4.576 -0.126 459 HG21 VAL 60 3HG2 VAL 60 -0.114 4.553 2.621 460 HG22 VAL 60 1HG2 VAL 60 -0.287 6.232 3.137 461 HG23 VAL 60 2HG2 VAL 60 1.273 5.423 3.274 462 H SER 61 H SER 61 3.809 8.583 1.815 463 HA SER 61 HA SER 61 2.790 9.728 4.198 464 HB2 SER 61 2HB SER 61 5.009 10.071 2.901 465 HB3 SER 61 1HB SER 61 4.135 11.311 2.009 466 HG SER 61 HG SER 61 3.656 12.286 4.033 467 H ASN 62 H ASN 62 2.130 10.540 0.818 468 HA ASN 62 HA ASN 62 -0.298 12.061 1.702 469 HB2 ASN 62 2HB ASN 62 1.694 12.590 -0.529 470 HB3 ASN 62 1HB ASN 62 0.167 13.457 -0.358 471 HD21 ASN 62 1HD2 ASN 62 3.021 14.463 -0.050 472 HD22 ASN 62 2HD2 ASN 62 3.067 15.161 1.497 473 H ARG 63 H ARG 63 1.261 10.311 -0.990 474 HA ARG 63 HA ARG 63 -1.236 8.820 -1.521 475 HB2 ARG 63 2HB ARG 63 -1.457 11.033 -2.640 476 HB3 ARG 63 1HB ARG 63 0.032 10.711 -3.526 477 HG2 ARG 63 2HG ARG 63 -1.009 8.704 -4.530 478 HG3 ARG 63 1HG ARG 63 -2.511 9.071 -3.678 479 HD2 ARG 63 2HD ARG 63 -2.553 11.299 -4.820 480 HD3 ARG 63 1HD ARG 63 -1.147 10.787 -5.771 481 HE ARG 63 HE ARG 63 -3.879 9.749 -6.042 482 HH11 ARG 63 1HH1 ARG 63 -0.482 9.006 -6.482 483 HH12 ARG 63 2HH1 ARG 63 -0.788 7.941 -7.807 484 HH21 ARG 63 1HH2 ARG 63 -4.207 8.400 -7.800 485 HH22 ARG 63 2HH2 ARG 63 -2.863 7.608 -8.547 486 H CYS 64 H CYS 64 -0.851 6.986 -2.946 487 HA CYS 64 HA CYS 64 2.038 6.290 -3.236 488 HB2 CYS 64 2HB CYS 64 0.268 4.797 -2.082 489 HB3 CYS 64 1HB CYS 64 -0.376 4.518 -3.694 490 HG CYS 64 HG CYS 64 2.518 3.944 -3.890 491 HA PRO 65 HA PRO 65 1.195 7.769 -7.416 492 HB2 PRO 65 2HB PRO 65 3.734 7.405 -8.406 493 HB3 PRO 65 1HB PRO 65 3.255 8.790 -7.404 494 HG2 PRO 65 2HG PRO 65 4.663 6.282 -6.609 495 HG3 PRO 65 1HG PRO 65 4.980 7.956 -6.123 496 HD2 PRO 65 2HD PRO 65 3.658 6.232 -4.532 497 HD3 PRO 65 1HD PRO 65 3.287 7.972 -4.565 498 H ILE 66 H ILE 66 2.854 4.692 -6.763 499 HA ILE 66 HA ILE 66 2.409 3.649 -9.441 500 HB ILE 66 HB ILE 66 4.275 2.972 -7.998 501 HG12 ILE 66 2HG1 ILE 66 2.411 0.622 -8.425 502 HG13 ILE 66 1HG1 ILE 66 3.262 1.427 -9.743 503 HG21 ILE 66 1HG2 ILE 66 4.039 2.168 -5.896 504 HG22 ILE 66 2HG2 ILE 66 2.601 1.231 -6.305 505 HG23 ILE 66 3HG2 ILE 66 2.466 2.950 -5.962 506 HD11 ILE 66 3HD1 ILE 66 5.393 1.034 -8.305 507 HD12 ILE 66 1HD1 ILE 66 4.711 -0.335 -9.182 508 HD13 ILE 66 2HD1 ILE 66 4.409 -0.155 -7.453 509 H CYS 67 H CYS 67 0.631 3.455 -6.373 510 HA CYS 67 HA CYS 67 -1.138 1.330 -7.207 511 HB2 CYS 67 2HB CYS 67 -1.105 3.447 -5.085 512 HB3 CYS 67 1HB CYS 67 -2.569 2.516 -5.350 513 HG CYS 67 HG CYS 67 -1.414 0.917 -3.826 514 H LYS 68 H LYS 68 -0.852 4.622 -8.165 515 HA LYS 68 HA LYS 68 -2.181 6.009 -9.525 516 HB2 LYS 68 2HB LYS 68 -3.216 3.236 -10.172 517 HB3 LYS 68 1HB LYS 68 -3.644 4.671 -11.099 518 HG2 LYS 68 2HG LYS 68 -1.262 5.085 -11.572 519 HG3 LYS 68 1HG LYS 68 -0.825 3.656 -10.633 520 HD2 LYS 68 2HD LYS 68 -2.081 2.225 -12.166 521 HD3 LYS 68 1HD LYS 68 -2.610 3.636 -13.082 522 HE2 LYS 68 2HE LYS 68 -0.700 2.600 -14.226 523 HE3 LYS 68 1HE LYS 68 -0.190 4.160 -13.552 524 HZ1 LYS 68 3HZ LYS 68 0.036 1.629 -12.025 525 HZ2 LYS 68 1HZ LYS 68 0.781 3.119 -11.700 526 HZ3 LYS 68 2HZ LYS 68 1.287 2.189 -13.029 527 H MET 69 H MET 69 -3.134 5.318 -6.745 528 HA MET 69 HA MET 69 -5.957 6.196 -7.167 529 HB2 MET 69 2HB MET 69 -6.718 4.525 -5.539 530 HB3 MET 69 1HB MET 69 -5.865 3.729 -6.860 531 HG2 MET 69 2HG MET 69 -3.774 3.904 -5.390 532 HG3 MET 69 1HG MET 69 -4.867 4.294 -4.069 533 HE1 MET 69 3HE MET 69 -7.318 2.713 -4.032 534 HE2 MET 69 1HE MET 69 -6.097 2.877 -2.764 535 HE3 MET 69 2HE MET 69 -6.746 1.289 -3.165 536 HA PRO 70 HA PRO 70 -5.039 8.922 -3.847 537 HB2 PRO 70 2HB PRO 70 -7.527 9.375 -2.827 538 HB3 PRO 70 1HB PRO 70 -6.994 10.018 -4.392 539 HG2 PRO 70 2HG PRO 70 -8.769 7.723 -3.797 540 HG3 PRO 70 1HG PRO 70 -8.803 8.859 -5.151 541 HD2 PRO 70 2HD PRO 70 -7.799 6.279 -5.248 542 HD3 PRO 70 1HD PRO 70 -7.429 7.574 -6.408 543 H LEU 71 H LEU 71 -4.818 9.023 -1.547 544 HA LEU 71 HA LEU 71 -5.513 6.478 -0.120 545 HB2 LEU 71 2HB LEU 71 -3.074 8.002 -0.467 546 HB3 LEU 71 1HB LEU 71 -3.476 7.914 1.247 547 HG LEU 71 HG LEU 71 -2.076 5.992 0.574 548 HD11 LEU 71 1HD1 LEU 71 -4.757 4.739 0.944 549 HD12 LEU 71 2HD1 LEU 71 -4.246 5.904 2.164 550 HD13 LEU 71 3HD1 LEU 71 -3.263 4.476 1.842 551 HD21 LEU 71 3HD2 LEU 71 -4.385 5.094 -1.161 552 HD22 LEU 71 1HD2 LEU 71 -2.745 4.445 -1.108 553 HD23 LEU 71 2HD2 LEU 71 -3.044 6.031 -1.820 554 HA PRO 72 HA PRO 72 -8.049 9.687 1.924 555 HB2 PRO 72 2HB PRO 72 -9.878 7.933 2.960 556 HB3 PRO 72 1HB PRO 72 -9.967 8.556 1.300 557 HG2 PRO 72 2HG PRO 72 -8.902 5.946 2.280 558 HG3 PRO 72 1HG PRO 72 -9.923 6.288 0.874 559 HD2 PRO 72 2HD PRO 72 -7.272 5.867 0.649 560 HD3 PRO 72 1HD PRO 72 -8.147 6.992 -0.417 561 H THR 73 H THR 73 -8.190 10.214 4.154 562 HA THR 73 HA THR 73 -6.238 8.901 5.906 563 HB THR 73 HB THR 73 -8.243 11.134 6.382 564 HG1 THR 73 1HG THR 73 -6.860 12.399 5.433 565 HG21 THR 73 3HG2 THR 73 -7.042 11.669 8.320 566 HG22 THR 73 1HG2 THR 73 -5.621 10.760 7.806 567 HG23 THR 73 2HG2 THR 73 -7.062 9.906 8.357 568 H LYS 74 H LYS 74 -6.732 7.326 7.373 569 HA LYS 74 HA LYS 74 -9.291 6.077 7.552 570 HB2 LYS 74 2HB LYS 74 -8.237 4.867 9.427 571 HB3 LYS 74 1HB LYS 74 -7.092 5.048 8.100 572 HG2 LYS 74 2HG LYS 74 -6.121 7.035 9.240 573 HG3 LYS 74 1HG LYS 74 -7.230 6.781 10.586 574 HD2 LYS 74 2HD LYS 74 -6.264 4.551 10.972 575 HD3 LYS 74 1HD LYS 74 -5.156 4.794 9.620 576 HE2 LYS 74 2HE LYS 74 -4.159 6.741 10.770 577 HE3 LYS 74 1HE LYS 74 -5.271 6.500 12.134 578 HZ1 LYS 74 3HZ LYS 74 -3.399 4.446 11.087 579 HZ2 LYS 74 1HZ LYS 74 -4.424 4.281 12.427 580 HZ3 LYS 74 2HZ LYS 74 -3.128 5.378 12.481 581 H LEU 75 H LEU 75 -11.040 6.449 8.902 582 HA LEU 75 HA LEU 75 -10.841 8.787 10.768 583 HB2 LEU 75 2HB LEU 75 -12.383 8.836 8.769 584 HB3 LEU 75 1HB LEU 75 -13.275 7.500 9.497 585 HG LEU 75 HG LEU 75 -12.742 9.890 11.202 586 HD11 LEU 75 1HD1 LEU 75 -14.236 11.295 10.160 587 HD12 LEU 75 2HD1 LEU 75 -15.179 9.964 9.489 588 HD13 LEU 75 3HD1 LEU 75 -13.657 10.435 8.733 589 HD21 LEU 75 3HD2 LEU 75 -14.885 7.796 10.853 590 HD22 LEU 75 1HD2 LEU 75 -15.201 9.262 11.781 591 HD23 LEU 75 2HD2 LEU 75 -13.922 8.157 12.286 592 H ARG 76 H ARG 76 -10.989 8.328 12.923 593 HA ARG 76 HA ARG 76 -11.489 5.596 13.805 594 HB2 ARG 76 2HB ARG 76 -10.684 8.217 14.983 595 HB3 ARG 76 1HB ARG 76 -11.352 7.003 16.080 596 HG2 ARG 76 2HG ARG 76 -9.667 5.440 15.580 597 HG3 ARG 76 1HG ARG 76 -9.216 6.274 14.091 598 HD2 ARG 76 2HD ARG 76 -7.518 6.752 15.766 599 HD3 ARG 76 1HD ARG 76 -8.470 8.228 15.511 600 HE ARG 76 HE ARG 76 -9.482 6.440 17.621 601 HH11 ARG 76 1HH1 ARG 76 -7.141 8.931 16.986 602 HH12 ARG 76 2HH1 ARG 76 -7.417 9.734 18.493 603 HH21 ARG 76 1HH2 ARG 76 -9.968 7.627 19.498 604 HH22 ARG 76 2HH2 ARG 76 -8.995 9.001 19.902 605 HA PRO 77 HA PRO 77 -15.882 6.283 14.228 606 HB2 PRO 77 2HB PRO 77 -16.506 3.916 15.455 607 HB3 PRO 77 1HB PRO 77 -16.183 4.050 13.715 608 HG2 PRO 77 2HG PRO 77 -14.413 3.089 15.898 609 HG3 PRO 77 1HG PRO 77 -14.580 2.505 14.236 610 HD2 PRO 77 2HD PRO 77 -12.535 4.104 15.093 611 HD3 PRO 77 1HD PRO 77 -13.107 4.035 13.411 612 H SER 78 H SER 78 -13.642 5.697 16.824 613 HA SER 78 HA SER 78 -15.424 5.885 19.073 614 HB2 SER 78 2HB SER 78 -13.113 5.027 19.155 615 HB3 SER 78 1HB SER 78 -12.495 6.617 18.715 616 HG SER 78 HG SER 78 -12.408 6.680 20.862 617 H ALA 79 H ALA 79 -16.181 7.690 20.174 618 HA ALA 79 HA ALA 79 -15.301 10.398 19.255 619 HB1 ALA 79 1HB ALA 79 -17.364 9.616 18.058 620 HB2 ALA 79 2HB ALA 79 -17.653 11.045 19.049 621 HB3 ALA 79 3HB ALA 79 -18.167 9.458 19.620 622 H ALA 80 H ALA 80 -15.321 11.937 20.923 623 HA ALA 80 HA ALA 80 -16.703 11.518 23.453 624 HB1 ALA 80 1HB ALA 80 -13.935 10.585 22.990 625 HB2 ALA 80 2HB ALA 80 -15.099 10.082 24.216 626 HB3 ALA 80 3HB ALA 80 -14.146 11.546 24.453 627 HA PRO 81 HA PRO 81 -15.208 15.805 22.345 628 HB2 PRO 81 2HB PRO 81 -17.660 16.969 22.026 629 HB3 PRO 81 1HB PRO 81 -16.802 16.163 20.699 630 HG2 PRO 81 2HG PRO 81 -19.066 15.189 22.353 631 HG3 PRO 81 1HG PRO 81 -18.721 14.922 20.639 632 HD2 PRO 81 2HD PRO 81 -18.248 13.086 22.630 633 HD3 PRO 81 1HD PRO 81 -17.417 13.109 21.059 634 H THR 82 H THR 82 -14.598 16.582 24.344 635 HA THR 82 HA THR 82 -16.749 17.065 26.383 636 HB THR 82 HB THR 82 -13.858 16.222 26.799 637 HG1 THR 82 1HG THR 82 -16.264 14.775 27.179 638 HG21 THR 82 3HG2 THR 82 -15.848 15.927 28.959 639 HG22 THR 82 1HG2 THR 82 -15.461 17.596 28.543 640 HG23 THR 82 2HG2 THR 82 -14.179 16.491 29.036 641 H ALA 83 H ALA 83 -16.865 19.201 26.971 642 HA ALA 83 HA ALA 83 -14.420 20.882 26.928 643 HB1 ALA 83 1HB ALA 83 -16.794 21.080 25.107 644 HB2 ALA 83 2HB ALA 83 -15.087 21.341 24.749 645 HB3 ALA 83 3HB ALA 83 -16.003 22.571 25.618 646 HA PRO 84 HA PRO 84 -17.385 21.777 30.365 647 HB2 PRO 84 2HB PRO 84 -15.542 21.689 32.382 648 HB3 PRO 84 1HB PRO 84 -16.390 20.247 31.789 649 HG2 PRO 84 2HG PRO 84 -13.629 21.185 31.228 650 HG3 PRO 84 1HG PRO 84 -14.245 19.539 31.433 651 HD2 PRO 84 2HD PRO 84 -13.685 20.685 29.005 652 HD3 PRO 84 1HD PRO 84 -14.836 19.353 29.242 653 HA PRO 85 HA PRO 85 -16.169 26.029 30.384 654 HB2 PRO 85 2HB PRO 85 -17.552 26.941 32.559 655 HB3 PRO 85 1HB PRO 85 -18.339 26.527 31.022 656 HG2 PRO 85 2HG PRO 85 -18.160 24.951 33.539 657 HG3 PRO 85 1HG PRO 85 -19.511 25.127 32.410 658 HD2 PRO 85 2HD PRO 85 -17.870 22.947 32.476 659 HD3 PRO 85 1HD PRO 85 -18.730 23.491 31.018 660 H THR 86 H THR 86 -14.738 27.467 31.513 661 HA THR 86 HA THR 86 -13.532 26.420 34.050 662 HB THR 86 HB THR 86 -11.317 26.949 33.068 663 HG1 THR 86 1HG THR 86 -12.774 27.432 30.689 664 HG21 THR 86 3HG2 THR 86 -12.537 24.703 32.727 665 HG22 THR 86 1HG2 THR 86 -11.176 25.051 31.660 666 HG23 THR 86 2HG2 THR 86 -12.828 25.258 31.079 667 H GLY 87 H GLY 87 -12.544 28.117 35.357 668 HA2 GLY 87 2HA GLY 87 -12.372 30.287 36.241 669 HA3 GLY 87 1HA GLY 87 -12.519 30.887 34.588 670 H ALA 88 H ALA 88 -14.952 28.815 36.043 671 HA ALA 88 HA ALA 88 -16.994 30.909 35.621 672 HB1 ALA 88 1HB ALA 88 -17.138 28.420 35.009 673 HB2 ALA 88 2HB ALA 88 -18.518 29.076 35.891 674 HB3 ALA 88 3HB ALA 88 -17.309 28.109 36.736 675 H ALA 89 H ALA 89 -15.875 32.211 37.450 676 HA ALA 89 HA ALA 89 -17.242 31.562 40.021 677 HB1 ALA 89 1HB ALA 89 -15.005 30.638 40.198 678 HB2 ALA 89 2HB ALA 89 -15.062 32.108 41.170 679 HB3 ALA 89 3HB ALA 89 -14.296 32.131 39.581 680 H ASP 90 H ASP 90 -18.172 33.383 40.863 681 HA ASP 90 HA ASP 90 -18.157 35.900 39.505 682 HB2 ASP 90 2HB ASP 90 -19.898 34.949 41.074 683 HB3 ASP 90 1HB ASP 90 -18.813 35.322 42.413 684 H SER 91 H SER 91 -16.464 34.826 42.463 685 HA SER 91 HA SER 91 -14.321 36.798 41.978 686 HB2 SER 91 2HB SER 91 -16.328 36.915 44.231 687 HB3 SER 91 1HB SER 91 -14.733 37.646 44.393 688 HG SER 91 HG SER 91 -16.167 39.167 43.572 689 H ILE 92 H ILE 92 -12.432 36.312 43.261 690 HA ILE 92 HA ILE 92 -12.537 33.649 44.648 691 HB ILE 92 HB ILE 92 -10.335 34.981 43.030 692 HG12 ILE 92 2HG1 ILE 92 -11.922 32.474 42.420 693 HG13 ILE 92 1HG1 ILE 92 -12.352 34.064 41.786 694 HG21 ILE 92 1HG2 ILE 92 -9.188 33.646 44.592 695 HG22 ILE 92 2HG2 ILE 92 -9.409 32.540 43.236 696 HG23 ILE 92 3HG2 ILE 92 -10.471 32.436 44.639 697 HD11 ILE 92 3HD1 ILE 92 -9.997 32.338 41.137 698 HD12 ILE 92 1HD1 ILE 92 -9.789 34.089 41.077 699 HD13 ILE 92 2HD1 ILE 92 -11.004 33.310 40.064 700 H ARG 93 H ARG 93 -11.942 33.729 46.784 701 HA ARG 93 HA ARG 93 -11.157 34.594 48.839 702 HB2 ARG 93 2HB ARG 93 -9.115 35.032 46.725 703 HB3 ARG 93 1HB ARG 93 -8.861 35.926 48.225 704 HG2 ARG 93 2HG ARG 93 -7.755 33.830 48.532 705 HG3 ARG 93 1HG ARG 93 -9.260 33.713 49.444 706 HD2 ARG 93 2HD ARG 93 -10.239 32.251 47.904 707 HD3 ARG 93 1HD ARG 93 -9.202 32.804 46.573 708 HE ARG 93 HE ARG 93 -7.291 31.765 48.022 709 HH11 ARG 93 1HH1 ARG 93 -9.879 30.791 49.658 710 HH12 ARG 93 2HH1 ARG 93 -9.792 29.104 49.276 711 HH21 ARG 93 1HH2 ARG 93 -7.457 29.526 46.749 712 HH22 ARG 93 2HH2 ARG 93 -8.421 28.389 47.629 713 HA PRO 94 HA PRO 94 -12.715 38.848 47.558 714 HB2 PRO 94 2HB PRO 94 -15.207 38.698 48.672 715 HB3 PRO 94 1HB PRO 94 -14.862 38.201 47.003 716 HG2 PRO 94 2HG PRO 94 -15.196 36.535 49.445 717 HG3 PRO 94 1HG PRO 94 -15.737 36.230 47.787 718 HD2 PRO 94 2HD PRO 94 -13.532 35.065 48.887 719 HD3 PRO 94 1HD PRO 94 -13.718 35.368 47.145 720 HA PRO 95 HA PRO 95 -11.744 40.219 51.632 721 HB2 PRO 95 2HB PRO 95 -12.617 42.805 51.520 722 HB3 PRO 95 1HB PRO 95 -11.151 42.246 50.692 723 HG2 PRO 95 2HG PRO 95 -13.860 42.774 49.593 724 HG3 PRO 95 1HG PRO 95 -12.270 43.070 48.873 725 HD2 PRO 95 2HD PRO 95 -13.883 40.952 48.222 726 HD3 PRO 95 1HD PRO 95 -12.115 40.952 48.042 727 HA PRO 96 HA PRO 96 -15.465 39.849 53.991 728 HB2 PRO 96 2HB PRO 96 -14.683 40.962 56.363 729 HB3 PRO 96 1HB PRO 96 -14.117 39.369 55.818 730 HG2 PRO 96 2HG PRO 96 -12.734 42.002 55.723 731 HG3 PRO 96 1HG PRO 96 -12.083 40.396 56.084 732 HD2 PRO 96 2HD PRO 96 -11.797 41.638 53.670 733 HD3 PRO 96 1HD PRO 96 -11.799 39.872 53.878 734 H TYR 97 H TYR 97 -17.267 41.141 54.657 735 HA TYR 97 HA TYR 97 -17.546 43.732 53.479 736 HB2 TYR 97 2HB TYR 97 -19.070 42.229 55.625 737 HB3 TYR 97 1HB TYR 97 -19.640 43.744 54.923 738 HD1 TYR 97 1HD TYR 97 -20.348 43.874 52.589 739 HD2 TYR 97 2HD TYR 97 -18.989 40.177 54.299 740 HE1 TYR 97 1HE TYR 97 -21.276 42.637 50.650 741 HE2 TYR 97 2HE TYR 97 -19.917 38.938 52.362 742 HH TYR 97 HH TYR 97 -20.460 39.523 49.896 743 H SER 98 H SER 98 -16.935 42.744 56.857 744 HA SER 98 HA SER 98 -15.681 45.366 57.396 745 HB2 SER 98 2HB SER 98 -17.265 45.619 59.397 746 HB3 SER 98 1HB SER 98 -17.973 45.897 57.808 747 HG SER 98 HG SER 98 -19.086 44.419 59.376 748 HA PRO 99 HA PRO 99 -13.760 41.863 59.673 749 HB2 PRO 99 2HB PRO 99 -11.175 42.642 59.246 750 HB3 PRO 99 1HB PRO 99 -12.093 41.676 58.074 751 HG2 PRO 99 2HG PRO 99 -11.469 44.578 58.057 752 HG3 PRO 99 1HG PRO 99 -11.575 43.436 56.710 753 HD2 PRO 99 2HD PRO 99 -13.537 45.238 57.375 754 HD3 PRO 99 1HD PRO 99 -13.817 43.734 56.473 Start of MODEL 5 1 H1 MET 1 1HT MET 1 -9.736 -41.117 -42.451 2 H2 MET 1 2HT MET 1 -10.784 -39.792 -42.274 3 H3 MET 1 3HT MET 1 -11.302 -41.183 -43.101 4 HA MET 1 HA MET 1 -12.318 -41.395 -41.021 5 HB2 MET 1 2HB MET 1 -9.649 -42.842 -41.118 6 HB3 MET 1 1HB MET 1 -10.966 -43.284 -40.033 7 HG2 MET 1 2HG MET 1 -11.201 -43.180 -43.054 8 HG3 MET 1 1HG MET 1 -10.931 -44.653 -42.125 9 HE1 MET 1 2HE MET 1 -14.053 -45.219 -40.094 10 HE2 MET 1 3HE MET 1 -12.511 -44.516 -39.611 11 HE3 MET 1 1HE MET 1 -12.553 -45.871 -40.749 12 H GLY 2 H GLY 2 -8.888 -40.477 -40.656 13 HA2 GLY 2 2HA GLY 2 -9.304 -38.477 -38.716 14 HA3 GLY 2 1HA GLY 2 -9.007 -39.973 -37.828 15 H ASN 3 H ASN 3 -7.575 -37.448 -39.674 16 HA ASN 3 HA ASN 3 -4.879 -38.694 -39.277 17 HB2 ASN 3 2HB ASN 3 -4.289 -37.787 -41.518 18 HB3 ASN 3 1HB ASN 3 -5.621 -38.938 -41.615 19 HD21 ASN 3 1HD2 ASN 3 -5.668 -37.380 -43.757 20 HD22 ASN 3 2HD2 ASN 3 -6.777 -36.101 -43.638 21 H LYS 4 H LYS 4 -5.946 -36.884 -37.443 22 HA LYS 4 HA LYS 4 -5.484 -34.114 -37.979 23 HB2 LYS 4 2HB LYS 4 -5.429 -35.802 -35.461 24 HB3 LYS 4 1HB LYS 4 -5.350 -34.039 -35.440 25 HG2 LYS 4 2HG LYS 4 -7.499 -33.893 -36.594 26 HG3 LYS 4 1HG LYS 4 -7.570 -35.650 -36.731 27 HD2 LYS 4 2HD LYS 4 -8.918 -35.135 -34.844 28 HD3 LYS 4 1HD LYS 4 -7.388 -35.691 -34.167 29 HE2 LYS 4 2HE LYS 4 -6.657 -33.410 -33.770 30 HE3 LYS 4 1HE LYS 4 -8.074 -32.766 -34.623 31 HZ1 LYS 4 3HZ LYS 4 -8.247 -34.578 -32.278 32 HZ2 LYS 4 1HZ LYS 4 -9.519 -33.744 -33.025 33 HZ3 LYS 4 2HZ LYS 4 -8.338 -32.885 -32.159 34 H GLN 5 H GLN 5 -3.319 -36.626 -36.634 35 HA GLN 5 HA GLN 5 -0.974 -36.620 -36.295 36 HB2 GLN 5 2HB GLN 5 -1.344 -34.764 -38.665 37 HB3 GLN 5 1HB GLN 5 0.225 -35.385 -38.152 38 HG2 GLN 5 2HG GLN 5 -0.529 -37.681 -38.492 39 HG3 GLN 5 1HG GLN 5 -2.149 -37.116 -38.903 40 HE21 GLN 5 1HE2 GLN 5 0.753 -38.083 -40.296 41 HE22 GLN 5 2HE2 GLN 5 0.589 -37.321 -41.804 42 H ALA 6 H ALA 6 -2.435 -34.783 -34.624 43 HA ALA 6 HA ALA 6 -2.084 -32.921 -33.215 44 HB1 ALA 6 1HB ALA 6 0.180 -32.679 -32.520 45 HB2 ALA 6 2HB ALA 6 0.799 -33.152 -34.102 46 HB3 ALA 6 3HB ALA 6 0.058 -34.358 -33.048 47 H LYS 7 H LYS 7 -3.191 -31.339 -34.489 48 HA LYS 7 HA LYS 7 -1.884 -29.954 -36.703 49 HB2 LYS 7 2HB LYS 7 -4.369 -29.430 -35.041 50 HB3 LYS 7 1HB LYS 7 -3.935 -28.505 -36.478 51 HG2 LYS 7 2HG LYS 7 -3.983 -30.554 -37.832 52 HG3 LYS 7 1HG LYS 7 -4.387 -31.502 -36.400 53 HD2 LYS 7 2HD LYS 7 -6.456 -30.150 -36.120 54 HD3 LYS 7 1HD LYS 7 -6.065 -29.283 -37.606 55 HE2 LYS 7 2HE LYS 7 -6.399 -32.300 -37.465 56 HE3 LYS 7 1HE LYS 7 -7.683 -31.182 -37.970 57 HZ1 LYS 7 3HZ LYS 7 -6.026 -30.234 -39.572 58 HZ2 LYS 7 1HZ LYS 7 -6.531 -31.813 -39.928 59 HZ3 LYS 7 2HZ LYS 7 -5.013 -31.551 -39.214 60 H ALA 8 H ALA 8 -0.913 -27.908 -36.637 61 HA ALA 8 HA ALA 8 0.234 -26.067 -35.712 62 HB1 ALA 8 1HB ALA 8 -1.073 -24.808 -34.267 63 HB2 ALA 8 2HB ALA 8 -1.523 -26.208 -33.293 64 HB3 ALA 8 3HB ALA 8 -2.295 -25.937 -34.855 65 HA PRO 9 HA PRO 9 3.104 -27.719 -32.817 66 HB2 PRO 9 2HB PRO 9 4.084 -25.486 -31.583 67 HB3 PRO 9 1HB PRO 9 4.479 -25.910 -33.261 68 HG2 PRO 9 2HG PRO 9 2.527 -23.919 -32.223 69 HG3 PRO 9 1HG PRO 9 3.598 -23.825 -33.629 70 HD2 PRO 9 2HD PRO 9 0.927 -24.391 -33.782 71 HD3 PRO 9 1HD PRO 9 2.124 -24.919 -34.986 72 H GLU 10 H GLU 10 3.331 -28.251 -30.549 73 HA GLU 10 HA GLU 10 1.090 -27.249 -28.815 74 HB2 GLU 10 2HB GLU 10 0.901 -29.602 -29.605 75 HB3 GLU 10 1HB GLU 10 2.467 -29.956 -28.875 76 HG2 GLU 10 2HG GLU 10 0.764 -30.653 -27.310 77 HG3 GLU 10 1HG GLU 10 1.521 -29.200 -26.662 78 H SER 11 H SER 11 1.726 -26.330 -26.900 79 HA SER 11 HA SER 11 4.606 -26.572 -26.111 80 HB2 SER 11 2HB SER 11 2.468 -24.492 -25.555 81 HB3 SER 11 1HB SER 11 4.115 -24.413 -24.936 82 HG SER 11 HG SER 11 3.180 -24.249 -27.595 83 H LYS 12 H LYS 12 4.902 -27.959 -24.423 84 HA LYS 12 HA LYS 12 2.813 -29.018 -22.768 85 HB2 LYS 12 2HB LYS 12 5.821 -28.828 -22.407 86 HB3 LYS 12 1HB LYS 12 4.769 -29.880 -21.461 87 HG2 LYS 12 2HG LYS 12 4.997 -29.975 -24.483 88 HG3 LYS 12 1HG LYS 12 5.868 -31.049 -23.391 89 HD2 LYS 12 2HD LYS 12 3.722 -31.854 -22.469 90 HD3 LYS 12 1HD LYS 12 2.851 -30.792 -23.574 91 HE2 LYS 12 2HE LYS 12 3.809 -31.971 -25.509 92 HE3 LYS 12 1HE LYS 12 4.727 -33.029 -24.417 93 HZ1 LYS 12 3HZ LYS 12 2.684 -33.758 -23.407 94 HZ2 LYS 12 1HZ LYS 12 2.583 -34.010 -25.081 95 HZ3 LYS 12 2HZ LYS 12 1.773 -32.696 -24.371 96 H ASP 13 H ASP 13 5.205 -26.434 -22.204 97 HA ASP 13 HA ASP 13 3.883 -25.777 -19.611 98 HB2 ASP 13 2HB ASP 13 6.493 -24.981 -20.934 99 HB3 ASP 13 1HB ASP 13 5.965 -24.365 -19.370 100 H SER 14 H SER 14 2.791 -23.840 -19.339 101 HA SER 14 HA SER 14 3.092 -21.607 -21.212 102 HB2 SER 14 2HB SER 14 0.780 -23.531 -21.280 103 HB3 SER 14 1HB SER 14 0.537 -21.849 -21.739 104 HG SER 14 HG SER 14 1.914 -22.095 -23.404 105 HA PRO 15 HA PRO 15 1.682 -19.502 -17.613 106 HB2 PRO 15 2HB PRO 15 0.629 -17.219 -18.698 107 HB3 PRO 15 1HB PRO 15 2.373 -17.526 -18.580 108 HG2 PRO 15 2HG PRO 15 0.553 -17.832 -20.918 109 HG3 PRO 15 1HG PRO 15 2.209 -17.206 -20.850 110 HD2 PRO 15 2HD PRO 15 1.608 -19.711 -21.701 111 HD3 PRO 15 1HD PRO 15 3.145 -19.299 -20.905 112 H ARG 16 H ARG 16 -0.608 -19.987 -20.266 113 HA ARG 16 HA ARG 16 -2.962 -20.261 -20.267 114 HB2 ARG 16 2HB ARG 16 -2.178 -21.227 -17.497 115 HB3 ARG 16 1HB ARG 16 -3.743 -21.539 -18.249 116 HG2 ARG 16 2HG ARG 16 -1.119 -22.309 -19.545 117 HG3 ARG 16 1HG ARG 16 -2.026 -23.402 -18.498 118 HD2 ARG 16 2HD ARG 16 -3.958 -23.308 -19.986 119 HD3 ARG 16 1HD ARG 16 -3.155 -22.093 -21.000 120 HE ARG 16 HE ARG 16 -2.005 -24.829 -20.598 121 HH11 ARG 16 1HH1 ARG 16 -1.401 -21.971 -22.150 122 HH12 ARG 16 2HH1 ARG 16 -1.315 -22.627 -23.750 123 HH21 ARG 16 1HH2 ARG 16 -2.529 -25.741 -22.824 124 HH22 ARG 16 2HH2 ARG 16 -1.957 -24.761 -24.132 125 H ALA 17 H ALA 17 -1.780 -17.664 -19.210 126 HA ALA 17 HA ALA 17 -4.261 -16.668 -17.888 127 HB1 ALA 17 1HB ALA 17 -2.470 -17.349 -16.221 128 HB2 ALA 17 2HB ALA 17 -2.954 -15.655 -16.119 129 HB3 ALA 17 3HB ALA 17 -1.445 -16.093 -16.921 130 H SER 18 H SER 18 -4.689 -15.521 -19.879 131 HA SER 18 HA SER 18 -2.807 -13.251 -20.457 132 HB2 SER 18 2HB SER 18 -4.555 -14.926 -22.286 133 HB3 SER 18 1HB SER 18 -3.613 -13.533 -22.813 134 HG SER 18 HG SER 18 -2.832 -16.066 -22.447 135 H LEU 19 H LEU 19 -3.813 -11.303 -19.985 136 HA LEU 19 HA LEU 19 -5.557 -9.707 -19.659 137 HB2 LEU 19 2HB LEU 19 -5.395 -10.187 -22.102 138 HB3 LEU 19 1HB LEU 19 -6.617 -11.422 -21.928 139 HG LEU 19 HG LEU 19 -8.298 -9.747 -21.317 140 HD11 LEU 19 1HD1 LEU 19 -6.048 -7.738 -21.760 141 HD12 LEU 19 2HD1 LEU 19 -6.696 -8.181 -20.176 142 HD13 LEU 19 3HD1 LEU 19 -7.721 -7.372 -21.359 143 HD21 LEU 19 3HD2 LEU 19 -8.194 -8.478 -23.525 144 HD22 LEU 19 1HD2 LEU 19 -8.009 -10.223 -23.676 145 HD23 LEU 19 2HD2 LEU 19 -6.593 -9.178 -23.775 146 H ILE 20 H ILE 20 -5.753 -12.486 -18.282 147 HA ILE 20 HA ILE 20 -8.486 -12.136 -17.227 148 HB ILE 20 HB ILE 20 -8.761 -13.453 -19.302 149 HG12 ILE 20 2HG1 ILE 20 -9.046 -15.387 -17.005 150 HG13 ILE 20 1HG1 ILE 20 -10.050 -13.938 -17.115 151 HG21 ILE 20 1HG2 ILE 20 -7.251 -15.753 -18.152 152 HG22 ILE 20 2HG2 ILE 20 -6.323 -14.454 -18.898 153 HG23 ILE 20 3HG2 ILE 20 -7.534 -15.323 -19.840 154 HD11 ILE 20 3HD1 ILE 20 -10.870 -16.182 -18.232 155 HD12 ILE 20 1HD1 ILE 20 -9.766 -15.699 -19.520 156 HD13 ILE 20 2HD1 ILE 20 -11.102 -14.644 -19.064 157 HA PRO 21 HA PRO 21 -5.465 -13.694 -14.098 158 HB2 PRO 21 2HB PRO 21 -6.360 -12.115 -12.054 159 HB3 PRO 21 1HB PRO 21 -5.169 -11.559 -13.249 160 HG2 PRO 21 2HG PRO 21 -8.084 -11.004 -13.079 161 HG3 PRO 21 1HG PRO 21 -6.758 -9.940 -13.569 162 HD2 PRO 21 2HD PRO 21 -8.453 -11.178 -15.329 163 HD3 PRO 21 1HD PRO 21 -6.798 -10.675 -15.731 164 H ASP 22 H ASP 22 -5.915 -15.012 -12.184 165 HA ASP 22 HA ASP 22 -8.656 -16.152 -12.183 166 HB2 ASP 22 2HB ASP 22 -6.565 -17.531 -12.353 167 HB3 ASP 22 1HB ASP 22 -6.116 -16.978 -10.739 168 H ALA 23 H ALA 23 -8.795 -13.637 -11.087 169 HA ALA 23 HA ALA 23 -9.388 -12.441 -9.134 170 HB1 ALA 23 1HB ALA 23 -9.907 -15.110 -7.851 171 HB2 ALA 23 2HB ALA 23 -10.850 -14.639 -9.264 172 HB3 ALA 23 3HB ALA 23 -10.890 -13.647 -7.807 173 H THR 24 H THR 24 -6.953 -12.057 -8.934 174 HA THR 24 HA THR 24 -5.889 -13.345 -6.438 175 HB THR 24 HB THR 24 -4.707 -14.074 -8.455 176 HG1 THR 24 1HG THR 24 -3.127 -13.902 -7.090 177 HG21 THR 24 3HG2 THR 24 -4.718 -12.656 -10.211 178 HG22 THR 24 1HG2 THR 24 -3.392 -11.814 -9.413 179 HG23 THR 24 2HG2 THR 24 -5.051 -11.264 -9.182 180 H HIS 25 H HIS 25 -7.014 -11.443 -5.372 181 HA HIS 25 HA HIS 25 -6.288 -8.715 -5.868 182 HB2 HIS 25 2HB HIS 25 -7.513 -10.347 -3.693 183 HB3 HIS 25 1HB HIS 25 -6.927 -8.745 -3.245 184 HD2 HIS 25 2HD HIS 25 -8.391 -6.584 -4.362 185 HE1 HIS 25 1HE HIS 25 -11.285 -8.958 -6.318 186 HE2 HIS 25 2HE HIS 25 -10.649 -6.591 -5.665 187 H LEU 26 H LEU 26 -4.988 -11.089 -3.530 188 HA LEU 26 HA LEU 26 -2.415 -9.583 -3.513 189 HB2 LEU 26 2HB LEU 26 -4.265 -10.184 -1.214 190 HB3 LEU 26 1HB LEU 26 -2.533 -10.003 -0.933 191 HG LEU 26 HG LEU 26 -4.222 -7.955 -2.391 192 HD11 LEU 26 1HD1 LEU 26 -3.969 -6.645 -0.252 193 HD12 LEU 26 2HD1 LEU 26 -3.338 -8.106 0.506 194 HD13 LEU 26 3HD1 LEU 26 -4.995 -8.071 -0.097 195 HD21 LEU 26 3HD2 LEU 26 -2.261 -6.892 -2.784 196 HD22 LEU 26 1HD2 LEU 26 -1.437 -8.357 -2.251 197 HD23 LEU 26 2HD2 LEU 26 -1.762 -7.060 -1.102 198 H GLY 27 H GLY 27 -1.877 -11.567 -4.833 199 HA2 GLY 27 2HA GLY 27 -1.654 -14.059 -3.222 200 HA3 GLY 27 1HA GLY 27 -1.448 -13.955 -4.971 201 HA PRO 28 HA PRO 28 2.888 -13.873 -4.195 202 HB2 PRO 28 2HB PRO 28 3.790 -12.762 -6.524 203 HB3 PRO 28 1HB PRO 28 3.195 -14.432 -6.423 204 HG2 PRO 28 2HG PRO 28 1.810 -11.984 -7.406 205 HG3 PRO 28 1HG PRO 28 1.775 -13.635 -8.046 206 HD2 PRO 28 2HD PRO 28 -0.223 -12.577 -6.529 207 HD3 PRO 28 1HD PRO 28 0.157 -14.314 -6.572 208 H GLN 29 H GLN 29 4.402 -12.382 -3.351 209 HA GLN 29 HA GLN 29 3.755 -9.479 -3.701 210 HB2 GLN 29 2HB GLN 29 4.221 -9.202 -1.285 211 HB3 GLN 29 1HB GLN 29 2.883 -10.313 -1.562 212 HG2 GLN 29 2HG GLN 29 5.261 -11.876 -1.571 213 HG3 GLN 29 1HG GLN 29 5.371 -10.787 -0.188 214 HE21 GLN 29 1HE2 GLN 29 4.806 -13.769 -0.258 215 HE22 GLN 29 2HE2 GLN 29 3.338 -13.951 0.573 216 H PHE 30 H PHE 30 5.495 -9.357 -5.225 217 HA PHE 30 HA PHE 30 8.248 -9.670 -4.062 218 HB2 PHE 30 2HB PHE 30 7.038 -10.003 -6.809 219 HB3 PHE 30 1HB PHE 30 8.771 -9.731 -6.624 220 HD1 PHE 30 2HD PHE 30 10.160 -11.330 -5.340 221 HD2 PHE 30 1HD PHE 30 6.024 -12.106 -6.197 222 HE1 PHE 30 2HE PHE 30 10.496 -13.719 -4.779 223 HE2 PHE 30 1HE PHE 30 6.358 -14.500 -5.638 224 HZ PHE 30 HZ PHE 30 8.595 -15.307 -4.928 225 H CYS 31 H CYS 31 9.492 -7.753 -3.973 226 HA CYS 31 HA CYS 31 8.191 -5.238 -4.704 227 HB2 CYS 31 2HB CYS 31 9.684 -5.619 -2.703 228 HB3 CYS 31 1HB CYS 31 11.046 -5.741 -3.819 229 HG CYS 31 HG CYS 31 10.787 -3.214 -3.010 230 H LYS 32 H LYS 32 8.275 -4.379 -6.668 231 HA LYS 32 HA LYS 32 10.373 -5.253 -8.593 232 HB2 LYS 32 2HB LYS 32 8.800 -4.371 -10.260 233 HB3 LYS 32 1HB LYS 32 7.948 -5.443 -9.153 234 HG2 LYS 32 2HG LYS 32 7.094 -3.520 -7.896 235 HG3 LYS 32 1HG LYS 32 8.019 -2.418 -8.914 236 HD2 LYS 32 2HD LYS 32 5.805 -2.400 -9.791 237 HD3 LYS 32 1HD LYS 32 6.743 -3.413 -10.890 238 HE2 LYS 32 2HE LYS 32 5.837 -5.425 -9.985 239 HE3 LYS 32 1HE LYS 32 5.192 -4.582 -8.563 240 HZ1 LYS 32 3HZ LYS 32 3.408 -4.846 -10.098 241 HZ2 LYS 32 1HZ LYS 32 4.338 -4.254 -11.387 242 HZ3 LYS 32 2HZ LYS 32 3.861 -3.208 -10.136 243 H SER 33 H SER 33 9.627 -2.634 -6.495 244 HA SER 33 HA SER 33 10.591 -0.449 -8.137 245 HB2 SER 33 2HB SER 33 10.142 -0.877 -5.178 246 HB3 SER 33 1HB SER 33 10.596 0.681 -5.860 247 HG SER 33 HG SER 33 8.302 0.358 -5.632 248 H CYS 34 H CYS 34 12.087 -1.700 -5.087 249 HA CYS 34 HA CYS 34 14.677 -0.648 -5.971 250 HB2 CYS 34 2HB CYS 34 15.419 -1.225 -3.742 251 HB3 CYS 34 1HB CYS 34 13.825 -0.492 -3.629 252 HG CYS 34 HG CYS 34 12.830 -2.922 -3.291 253 H TRP 35 H TRP 35 13.336 -3.917 -5.398 254 HA TRP 35 HA TRP 35 14.774 -5.251 -7.435 255 HB2 TRP 35 2HB TRP 35 16.524 -6.378 -5.898 256 HB3 TRP 35 1HB TRP 35 16.859 -4.720 -6.373 257 HD1 TRP 35 HD TRP 35 15.125 -6.571 -3.432 258 HE1 TRP 35 1HE TRP 35 15.625 -5.268 -1.269 259 HE3 TRP 35 3HE TRP 35 17.802 -2.654 -5.343 260 HZ2 TRP 35 2HZ TRP 35 16.976 -2.889 -0.447 261 HZ3 TRP 35 3HZ TRP 35 18.681 -0.887 -3.842 262 HH2 TRP 35 HH TRP 35 18.271 -1.000 -1.400 263 H PHE 36 H PHE 36 15.160 -7.751 -6.551 264 HA PHE 36 HA PHE 36 12.510 -8.553 -5.476 265 HB2 PHE 36 2HB PHE 36 14.874 -9.981 -6.733 266 HB3 PHE 36 1HB PHE 36 13.454 -10.835 -6.135 267 HD1 PHE 36 1HD PHE 36 11.224 -10.438 -7.162 268 HD2 PHE 36 2HD PHE 36 14.812 -8.720 -8.780 269 HE1 PHE 36 1HE PHE 36 10.042 -9.980 -9.293 270 HE2 PHE 36 2HE PHE 36 13.631 -8.258 -10.911 271 HZ PHE 36 HZ PHE 36 11.246 -8.890 -11.169 272 H GLU 37 H GLU 37 12.410 -8.668 -3.234 273 HA GLU 37 HA GLU 37 14.330 -10.352 -1.786 274 HB2 GLU 37 2HB GLU 37 15.500 -8.172 -2.018 275 HB3 GLU 37 1HB GLU 37 14.135 -7.371 -1.239 276 HG2 GLU 37 2HG GLU 37 14.496 -8.635 0.806 277 HG3 GLU 37 1HG GLU 37 15.776 -9.576 0.046 278 H ASN 38 H ASN 38 13.104 -11.412 -0.284 279 HA ASN 38 HA ASN 38 10.550 -10.155 0.641 280 HB2 ASN 38 2HB ASN 38 11.618 -12.996 0.541 281 HB3 ASN 38 1HB ASN 38 10.068 -12.570 1.266 282 HD21 ASN 38 1HD2 ASN 38 10.302 -14.293 -1.054 283 HD22 ASN 38 2HD2 ASN 38 9.575 -13.495 -2.365 284 H LYS 39 H LYS 39 13.586 -10.071 1.707 285 HA LYS 39 HA LYS 39 13.641 -11.220 4.314 286 HB2 LYS 39 2HB LYS 39 15.557 -10.339 2.988 287 HB3 LYS 39 1HB LYS 39 14.960 -8.700 3.249 288 HG2 LYS 39 2HG LYS 39 15.212 -8.975 5.675 289 HG3 LYS 39 1HG LYS 39 15.765 -10.633 5.441 290 HD2 LYS 39 2HD LYS 39 17.688 -9.816 4.132 291 HD3 LYS 39 1HD LYS 39 17.138 -8.155 4.360 292 HE2 LYS 39 2HE LYS 39 18.781 -8.477 6.060 293 HE3 LYS 39 1HE LYS 39 17.234 -8.695 6.905 294 HZ1 LYS 39 3HZ LYS 39 18.814 -10.534 7.312 295 HZ2 LYS 39 1HZ LYS 39 18.794 -10.893 5.655 296 HZ3 LYS 39 2HZ LYS 39 17.374 -11.052 6.573 297 H GLY 40 H GLY 40 12.736 -7.903 3.293 298 HA2 GLY 40 2HA GLY 40 11.094 -7.667 5.766 299 HA3 GLY 40 1HA GLY 40 12.291 -6.413 5.430 300 H LEU 41 H LEU 41 9.941 -8.187 3.411 301 HA LEU 41 HA LEU 41 9.335 -5.774 1.874 302 HB2 LEU 41 2HB LEU 41 9.503 -8.036 0.895 303 HB3 LEU 41 1HB LEU 41 8.143 -8.562 1.888 304 HG LEU 41 HG LEU 41 6.748 -6.767 0.801 305 HD11 LEU 41 1HD1 LEU 41 7.608 -5.787 -1.299 306 HD12 LEU 41 2HD1 LEU 41 9.163 -6.574 -1.026 307 HD13 LEU 41 3HD1 LEU 41 8.605 -5.317 0.078 308 HD21 LEU 41 3HD2 LEU 41 6.188 -8.146 -0.993 309 HD22 LEU 41 1HD2 LEU 41 7.096 -9.269 0.021 310 HD23 LEU 41 2HD2 LEU 41 7.871 -8.513 -1.370 311 H VAL 42 H VAL 42 7.499 -4.536 2.006 312 HA VAL 42 HA VAL 42 5.555 -5.129 4.213 313 HB VAL 42 HB VAL 42 6.370 -2.549 2.817 314 HG11 VAL 42 1HG1 VAL 42 4.405 -3.135 5.041 315 HG12 VAL 42 2HG1 VAL 42 4.107 -2.279 3.528 316 HG13 VAL 42 3HG1 VAL 42 5.089 -1.530 4.786 317 HG21 VAL 42 3HG2 VAL 42 8.030 -3.677 4.401 318 HG22 VAL 42 1HG2 VAL 42 6.862 -3.366 5.687 319 HG23 VAL 42 2HG2 VAL 42 7.580 -2.020 4.804 320 H GLU 43 H GLU 43 3.482 -5.599 3.518 321 HA GLU 43 HA GLU 43 2.938 -5.526 0.623 322 HB2 GLU 43 2HB GLU 43 2.498 -7.494 2.062 323 HB3 GLU 43 1HB GLU 43 1.330 -6.545 2.981 324 HG2 GLU 43 2HG GLU 43 -0.026 -6.214 0.961 325 HG3 GLU 43 1HG GLU 43 1.154 -7.109 0.005 326 H CYS 44 H CYS 44 2.222 -3.601 -0.160 327 HA CYS 44 HA CYS 44 0.542 -1.690 1.280 328 HB2 CYS 44 2HB CYS 44 2.119 -1.712 -0.989 329 HB3 CYS 44 1HB CYS 44 0.511 -1.821 -1.695 330 HG CYS 44 HG CYS 44 -0.059 0.418 -0.290 331 H ASN 45 H ASN 45 -1.837 -1.310 0.202 332 HA ASN 45 HA ASN 45 -3.427 -3.614 0.613 333 HB2 ASN 45 2HB ASN 45 -4.245 -1.287 0.514 334 HB3 ASN 45 1HB ASN 45 -3.905 -1.233 -1.216 335 HD21 ASN 45 1HD2 ASN 45 -6.080 -1.082 -1.992 336 HD22 ASN 45 2HD2 ASN 45 -7.241 -2.293 -1.734 337 H ASN 46 H ASN 46 -2.989 -2.220 -2.674 338 HA ASN 46 HA ASN 46 -3.000 -5.009 -3.769 339 HB2 ASN 46 2HB ASN 46 -3.795 -2.309 -4.885 340 HB3 ASN 46 1HB ASN 46 -3.722 -3.774 -5.868 341 HD21 ASN 46 1HD2 ASN 46 -4.790 -5.728 -4.240 342 HD22 ASN 46 2HD2 ASN 46 -6.376 -5.333 -3.781 343 H HIS 47 H HIS 47 -0.591 -3.542 -2.708 344 HA HIS 47 HA HIS 47 1.132 -3.807 -5.122 345 HB2 HIS 47 2HB HIS 47 0.584 -1.565 -5.373 346 HB3 HIS 47 1HB HIS 47 0.268 -1.347 -3.662 347 HD2 HIS 47 2HD HIS 47 3.782 -2.384 -5.213 348 HE1 HIS 47 1HE HIS 47 4.200 1.259 -3.124 349 HE2 HIS 47 2HE HIS 47 5.430 -0.564 -4.384 350 H TYR 48 H TYR 48 3.423 -4.140 -4.527 351 HA TYR 48 HA TYR 48 3.843 -4.639 -1.591 352 HB2 TYR 48 2HB TYR 48 5.170 -6.059 -3.914 353 HB3 TYR 48 1HB TYR 48 5.229 -6.513 -2.215 354 HD1 TYR 48 2HD TYR 48 3.007 -7.162 -1.063 355 HD2 TYR 48 1HD TYR 48 3.498 -6.863 -5.317 356 HE1 TYR 48 2HE TYR 48 0.990 -8.570 -1.397 357 HE2 TYR 48 1HE TYR 48 1.489 -8.270 -5.654 358 HH TYR 48 HH TYR 48 -0.629 -8.798 -4.279 359 H LEU 49 H LEU 49 5.461 -3.478 -0.688 360 HA LEU 49 HA LEU 49 7.886 -2.794 -2.267 361 HB2 LEU 49 2HB LEU 49 5.818 -0.935 -1.382 362 HB3 LEU 49 1HB LEU 49 7.366 -0.547 -0.630 363 HG LEU 49 HG LEU 49 7.090 -1.052 -3.601 364 HD11 LEU 49 1HD1 LEU 49 7.522 1.730 -2.773 365 HD12 LEU 49 2HD1 LEU 49 5.957 1.108 -2.260 366 HD13 LEU 49 3HD1 LEU 49 6.402 1.079 -3.962 367 HD21 LEU 49 3HD2 LEU 49 9.336 -1.270 -2.578 368 HD22 LEU 49 1HD2 LEU 49 9.195 0.368 -1.953 369 HD23 LEU 49 2HD2 LEU 49 9.248 0.090 -3.693 370 H CYS 50 H CYS 50 9.714 -2.303 -0.721 371 HA CYS 50 HA CYS 50 9.370 -3.821 1.811 372 HB2 CYS 50 2HB CYS 50 12.020 -2.709 0.975 373 HB3 CYS 50 1HB CYS 50 11.651 -4.252 1.732 374 HG CYS 50 HG CYS 50 11.030 -5.224 -0.568 375 H LEU 51 H LEU 51 9.947 -2.909 3.824 376 HA LEU 51 HA LEU 51 9.250 -0.195 4.270 377 HB2 LEU 51 2HB LEU 51 9.211 -2.072 5.920 378 HB3 LEU 51 1HB LEU 51 10.971 -2.066 5.935 379 HG LEU 51 HG LEU 51 10.943 0.279 6.744 380 HD11 LEU 51 1HD1 LEU 51 7.940 -0.159 6.805 381 HD12 LEU 51 2HD1 LEU 51 8.806 0.997 5.792 382 HD13 LEU 51 3HD1 LEU 51 8.771 1.211 7.542 383 HD21 LEU 51 3HD2 LEU 51 9.607 -1.955 8.227 384 HD22 LEU 51 1HD2 LEU 51 9.627 -0.356 8.973 385 HD23 LEU 51 2HD2 LEU 51 11.144 -1.155 8.558 386 H ASN 52 H ASN 52 12.405 -1.728 3.751 387 HA ASN 52 HA ASN 52 14.079 0.457 4.499 388 HB2 ASN 52 2HB ASN 52 14.311 -1.865 2.582 389 HB3 ASN 52 1HB ASN 52 15.650 -0.746 2.830 390 HD21 ASN 52 1HD2 ASN 52 15.803 -3.524 3.573 391 HD22 ASN 52 2HD2 ASN 52 15.927 -3.611 5.264 392 H CYS 53 H CYS 53 12.677 -0.369 1.292 393 HA CYS 53 HA CYS 53 13.809 2.125 0.163 394 HB2 CYS 53 2HB CYS 53 12.903 1.233 -1.966 395 HB3 CYS 53 1HB CYS 53 13.904 0.044 -1.140 396 HG CYS 53 HG CYS 53 11.940 -1.455 -0.947 397 H LEU 54 H LEU 54 10.765 0.838 1.299 398 HA LEU 54 HA LEU 54 8.985 2.780 0.159 399 HB2 LEU 54 2HB LEU 54 8.403 0.584 1.206 400 HB3 LEU 54 1HB LEU 54 8.826 1.250 2.779 401 HG LEU 54 HG LEU 54 6.356 1.210 2.161 402 HD11 LEU 54 1HD1 LEU 54 7.648 2.762 3.856 403 HD12 LEU 54 2HD1 LEU 54 5.945 3.053 3.502 404 HD13 LEU 54 3HD1 LEU 54 7.187 4.029 2.720 405 HD21 LEU 54 3HD2 LEU 54 5.482 2.568 0.514 406 HD22 LEU 54 1HD2 LEU 54 7.064 2.264 -0.203 407 HD23 LEU 54 2HD2 LEU 54 6.767 3.764 0.674 408 H THR 55 H THR 55 10.844 2.744 3.209 409 HA THR 55 HA THR 55 9.757 5.056 4.453 410 HB THR 55 HB THR 55 12.596 3.958 4.407 411 HG1 THR 55 1HG THR 55 11.900 2.586 5.864 412 HG21 THR 55 3HG2 THR 55 12.887 6.019 5.446 413 HG22 THR 55 1HG2 THR 55 12.465 5.004 6.826 414 HG23 THR 55 2HG2 THR 55 11.245 6.043 6.089 415 H LEU 56 H LEU 56 12.186 4.786 1.865 416 HA LEU 56 HA LEU 56 13.121 7.488 1.891 417 HB2 LEU 56 2HB LEU 56 12.896 5.263 -0.120 418 HB3 LEU 56 1HB LEU 56 13.416 6.854 -0.668 419 HG LEU 56 HG LEU 56 15.351 5.430 -0.078 420 HD11 LEU 56 1HD1 LEU 56 16.521 7.136 0.944 421 HD12 LEU 56 2HD1 LEU 56 15.251 7.440 2.130 422 HD13 LEU 56 3HD1 LEU 56 15.071 8.023 0.475 423 HD21 LEU 56 3HD2 LEU 56 14.228 5.504 2.740 424 HD22 LEU 56 1HD2 LEU 56 15.711 4.705 2.217 425 HD23 LEU 56 2HD2 LEU 56 14.146 4.101 1.675 426 H LEU 57 H LEU 57 10.345 6.003 0.184 427 HA LEU 57 HA LEU 57 9.460 8.739 -0.649 428 HB2 LEU 57 2HB LEU 57 9.750 6.774 -2.281 429 HB3 LEU 57 1HB LEU 57 8.347 6.049 -1.492 430 HG LEU 57 HG LEU 57 7.032 8.107 -2.005 431 HD11 LEU 57 1HD1 LEU 57 8.473 9.891 -2.246 432 HD12 LEU 57 2HD1 LEU 57 8.254 9.470 -3.945 433 HD13 LEU 57 3HD1 LEU 57 9.693 8.928 -3.081 434 HD21 LEU 57 3HD2 LEU 57 7.386 6.028 -3.595 435 HD22 LEU 57 1HD2 LEU 57 8.220 7.208 -4.607 436 HD23 LEU 57 2HD2 LEU 57 6.527 7.455 -4.176 437 H LEU 58 H LEU 58 9.045 6.874 2.017 438 HA LEU 58 HA LEU 58 7.339 6.743 3.653 439 HB2 LEU 58 2HB LEU 58 6.973 9.192 2.214 440 HB3 LEU 58 1HB LEU 58 5.387 8.495 2.510 441 HG LEU 58 HG LEU 58 6.039 9.958 4.360 442 HD11 LEU 58 1HD1 LEU 58 4.797 7.696 4.676 443 HD12 LEU 58 2HD1 LEU 58 5.415 8.529 6.104 444 HD13 LEU 58 3HD1 LEU 58 6.302 7.163 5.427 445 HD21 LEU 58 3HD2 LEU 58 8.549 9.439 3.962 446 HD22 LEU 58 1HD2 LEU 58 8.274 8.053 5.018 447 HD23 LEU 58 2HD2 LEU 58 8.006 9.687 5.622 448 H SER 59 H SER 59 5.208 5.666 3.897 449 HA SER 59 HA SER 59 4.605 3.794 1.788 450 HB2 SER 59 2HB SER 59 4.001 3.243 4.034 451 HB3 SER 59 1HB SER 59 3.172 4.780 4.267 452 HG SER 59 HG SER 59 2.267 2.438 3.212 453 H VAL 60 H VAL 60 2.886 6.657 2.974 454 HA VAL 60 HA VAL 60 2.097 7.400 0.229 455 HB VAL 60 HB VAL 60 -0.289 7.533 0.887 456 HG11 VAL 60 1HG1 VAL 60 0.621 4.722 1.445 457 HG12 VAL 60 2HG1 VAL 60 0.888 5.450 -0.140 458 HG13 VAL 60 3HG1 VAL 60 -0.750 5.275 0.483 459 HG21 VAL 60 3HG2 VAL 60 -0.571 7.650 3.156 460 HG22 VAL 60 1HG2 VAL 60 0.856 6.671 3.487 461 HG23 VAL 60 2HG2 VAL 60 -0.656 5.895 3.022 462 H SER 61 H SER 61 3.857 8.956 1.386 463 HA SER 61 HA SER 61 3.130 10.757 3.451 464 HB2 SER 61 2HB SER 61 5.367 10.752 2.604 465 HB3 SER 61 1HB SER 61 4.819 11.014 0.951 466 HG SER 61 HG SER 61 4.948 13.064 1.353 467 H ASN 62 H ASN 62 2.527 10.944 -0.026 468 HA ASN 62 HA ASN 62 0.338 12.915 0.506 469 HB2 ASN 62 2HB ASN 62 2.321 12.781 -1.799 470 HB3 ASN 62 1HB ASN 62 0.978 13.921 -1.693 471 HD21 ASN 62 1HD2 ASN 62 1.079 14.696 0.997 472 HD22 ASN 62 2HD2 ASN 62 2.559 15.463 1.320 473 H ARG 63 H ARG 63 1.686 10.557 -1.804 474 HA ARG 63 HA ARG 63 -0.938 9.228 -2.071 475 HB2 ARG 63 2HB ARG 63 -1.007 11.219 -3.557 476 HB3 ARG 63 1HB ARG 63 0.437 10.633 -4.380 477 HG2 ARG 63 2HG ARG 63 -0.793 8.556 -5.000 478 HG3 ARG 63 1HG ARG 63 -2.246 9.226 -4.252 479 HD2 ARG 63 2HD ARG 63 -2.061 11.204 -5.780 480 HD3 ARG 63 1HD ARG 63 -0.722 10.383 -6.602 481 HE ARG 63 HE ARG 63 -3.030 8.646 -6.357 482 HH11 ARG 63 1HH1 ARG 63 -1.568 11.184 -8.269 483 HH12 ARG 63 2HH1 ARG 63 -2.513 10.815 -9.667 484 HH21 ARG 63 1HH2 ARG 63 -4.278 8.242 -8.175 485 HH22 ARG 63 2HH2 ARG 63 -4.031 9.168 -9.618 486 H CYS 64 H CYS 64 -0.686 7.073 -2.868 487 HA CYS 64 HA CYS 64 2.100 6.092 -3.164 488 HB2 CYS 64 2HB CYS 64 0.029 5.043 -1.882 489 HB3 CYS 64 1HB CYS 64 -0.401 4.444 -3.476 490 HG CYS 64 HG CYS 64 1.634 3.159 -1.760 491 HA PRO 65 HA PRO 65 1.297 7.010 -7.526 492 HB2 PRO 65 2HB PRO 65 3.807 6.411 -8.454 493 HB3 PRO 65 1HB PRO 65 3.391 7.951 -7.675 494 HG2 PRO 65 2HG PRO 65 4.701 5.535 -6.509 495 HG3 PRO 65 1HG PRO 65 5.106 7.246 -6.294 496 HD2 PRO 65 2HD PRO 65 3.732 5.861 -4.440 497 HD3 PRO 65 1HD PRO 65 3.424 7.587 -4.747 498 H ILE 66 H ILE 66 2.876 4.004 -6.410 499 HA ILE 66 HA ILE 66 2.415 2.583 -8.890 500 HB ILE 66 HB ILE 66 2.942 1.584 -6.075 501 HG12 ILE 66 2HG1 ILE 66 4.873 2.041 -8.371 502 HG13 ILE 66 1HG1 ILE 66 4.611 3.215 -7.083 503 HG21 ILE 66 1HG2 ILE 66 2.796 0.289 -8.768 504 HG22 ILE 66 2HG2 ILE 66 2.350 -0.361 -7.191 505 HG23 ILE 66 3HG2 ILE 66 4.050 -0.264 -7.658 506 HD11 ILE 66 3HD1 ILE 66 6.489 1.239 -6.986 507 HD12 ILE 66 1HD1 ILE 66 5.140 0.462 -6.161 508 HD13 ILE 66 2HD1 ILE 66 5.775 1.995 -5.564 509 H CYS 67 H CYS 67 0.645 2.685 -5.783 510 HA CYS 67 HA CYS 67 -1.346 0.742 -6.405 511 HB2 CYS 67 2HB CYS 67 -1.175 3.182 -4.662 512 HB3 CYS 67 1HB CYS 67 -2.698 2.308 -4.787 513 HG CYS 67 HG CYS 67 -0.060 1.089 -3.644 514 H LYS 68 H LYS 68 -0.855 3.978 -7.613 515 HA LYS 68 HA LYS 68 -1.997 5.209 -9.264 516 HB2 LYS 68 2HB LYS 68 -2.186 2.521 -9.904 517 HB3 LYS 68 1HB LYS 68 -3.872 3.032 -9.926 518 HG2 LYS 68 2HG LYS 68 -3.375 4.797 -11.512 519 HG3 LYS 68 1HG LYS 68 -1.645 4.466 -11.399 520 HD2 LYS 68 2HD LYS 68 -2.501 3.404 -13.413 521 HD3 LYS 68 1HD LYS 68 -2.091 2.148 -12.244 522 HE2 LYS 68 2HE LYS 68 -4.447 1.956 -11.573 523 HE3 LYS 68 1HE LYS 68 -4.885 3.263 -12.692 524 HZ1 LYS 68 3HZ LYS 68 -5.213 1.224 -13.842 525 HZ2 LYS 68 1HZ LYS 68 -3.696 0.630 -13.373 526 HZ3 LYS 68 2HZ LYS 68 -3.797 1.921 -14.474 527 H MET 69 H MET 69 -2.997 5.046 -6.452 528 HA MET 69 HA MET 69 -5.775 5.984 -7.027 529 HB2 MET 69 2HB MET 69 -4.842 3.739 -5.301 530 HB3 MET 69 1HB MET 69 -6.181 4.718 -4.694 531 HG2 MET 69 2HG MET 69 -7.364 4.383 -6.863 532 HG3 MET 69 1HG MET 69 -6.056 3.321 -7.383 533 HE1 MET 69 3HE MET 69 -8.753 1.074 -7.221 534 HE2 MET 69 1HE MET 69 -8.662 2.788 -7.651 535 HE3 MET 69 2HE MET 69 -9.701 2.262 -6.329 536 HA PRO 70 HA PRO 70 -4.548 9.238 -4.326 537 HB2 PRO 70 2HB PRO 70 -6.992 10.276 -3.698 538 HB3 PRO 70 1HB PRO 70 -6.247 10.469 -5.295 539 HG2 PRO 70 2HG PRO 70 -8.434 8.671 -4.435 540 HG3 PRO 70 1HG PRO 70 -8.158 9.452 -5.996 541 HD2 PRO 70 2HD PRO 70 -7.619 6.793 -5.397 542 HD3 PRO 70 1HD PRO 70 -6.968 7.696 -6.781 543 H LEU 71 H LEU 71 -4.673 9.935 -2.053 544 HA LEU 71 HA LEU 71 -5.665 7.761 -0.243 545 HB2 LEU 71 2HB LEU 71 -3.265 9.469 -0.433 546 HB3 LEU 71 1HB LEU 71 -3.922 9.343 1.198 547 HG LEU 71 HG LEU 71 -2.252 7.570 0.748 548 HD11 LEU 71 1HD1 LEU 71 -4.778 6.018 0.808 549 HD12 LEU 71 2HD1 LEU 71 -4.632 7.297 2.013 550 HD13 LEU 71 3HD1 LEU 71 -3.424 6.014 1.938 551 HD21 LEU 71 3HD2 LEU 71 -4.231 6.501 -1.283 552 HD22 LEU 71 1HD2 LEU 71 -2.622 5.875 -0.922 553 HD23 LEU 71 2HD2 LEU 71 -2.803 7.432 -1.732 554 HA PRO 72 HA PRO 72 -8.377 11.444 0.483 555 HB2 PRO 72 2HB PRO 72 -10.643 9.993 0.999 556 HB3 PRO 72 1HB PRO 72 -10.142 10.455 -0.640 557 HG2 PRO 72 2HG PRO 72 -9.783 7.860 0.784 558 HG3 PRO 72 1HG PRO 72 -10.247 8.167 -0.898 559 HD2 PRO 72 2HD PRO 72 -7.737 7.453 -0.196 560 HD3 PRO 72 1HD PRO 72 -8.076 8.522 -1.575 561 H THR 73 H THR 73 -9.279 12.145 2.516 562 HA THR 73 HA THR 73 -8.832 10.345 4.862 563 HB THR 73 HB THR 73 -6.836 11.744 4.560 564 HG1 THR 73 1HG THR 73 -7.589 11.438 6.684 565 HG21 THR 73 3HG2 THR 73 -8.799 14.056 4.590 566 HG22 THR 73 1HG2 THR 73 -7.825 13.535 3.216 567 HG23 THR 73 2HG2 THR 73 -7.044 14.223 4.639 568 H LYS 74 H LYS 74 -10.067 11.079 6.775 569 HA LYS 74 HA LYS 74 -12.495 12.645 5.989 570 HB2 LYS 74 2HB LYS 74 -11.966 10.645 8.214 571 HB3 LYS 74 1HB LYS 74 -13.526 11.392 7.871 572 HG2 LYS 74 2HG LYS 74 -11.966 9.697 5.898 573 HG3 LYS 74 1HG LYS 74 -13.308 9.107 6.878 574 HD2 LYS 74 2HD LYS 74 -14.800 10.786 5.849 575 HD3 LYS 74 1HD LYS 74 -13.461 11.371 4.864 576 HE2 LYS 74 2HE LYS 74 -13.257 9.165 3.786 577 HE3 LYS 74 1HE LYS 74 -14.588 8.551 4.786 578 HZ1 LYS 74 3HZ LYS 74 -15.367 9.368 2.617 579 HZ2 LYS 74 1HZ LYS 74 -14.761 10.910 2.985 580 HZ3 LYS 74 2HZ LYS 74 -16.029 10.253 3.907 581 H LEU 75 H LEU 75 -12.994 14.508 7.106 582 HA LEU 75 HA LEU 75 -11.016 15.867 8.666 583 HB2 LEU 75 2HB LEU 75 -13.943 16.197 8.056 584 HB3 LEU 75 1HB LEU 75 -13.179 17.265 9.233 585 HG LEU 75 HG LEU 75 -11.406 17.756 7.494 586 HD11 LEU 75 1HD1 LEU 75 -12.155 17.278 5.115 587 HD12 LEU 75 2HD1 LEU 75 -13.362 16.187 5.796 588 HD13 LEU 75 3HD1 LEU 75 -11.646 15.862 6.035 589 HD21 LEU 75 3HD2 LEU 75 -14.311 18.472 7.178 590 HD22 LEU 75 1HD2 LEU 75 -13.130 19.082 6.020 591 HD23 LEU 75 2HD2 LEU 75 -12.974 19.479 7.731 592 H ARG 76 H ARG 76 -13.938 14.047 9.609 593 HA ARG 76 HA ARG 76 -14.654 13.251 11.715 594 HB2 ARG 76 2HB ARG 76 -11.636 13.179 11.780 595 HB3 ARG 76 1HB ARG 76 -12.582 12.595 13.151 596 HG2 ARG 76 2HG ARG 76 -13.445 10.806 11.975 597 HG3 ARG 76 1HG ARG 76 -13.362 11.649 10.427 598 HD2 ARG 76 2HD ARG 76 -11.647 9.969 10.342 599 HD3 ARG 76 1HD ARG 76 -10.795 11.490 10.675 600 HE ARG 76 HE ARG 76 -10.439 10.773 12.917 601 HH11 ARG 76 1HH1 ARG 76 -12.997 8.887 11.527 602 HH12 ARG 76 2HH1 ARG 76 -12.782 7.572 12.629 603 HH21 ARG 76 1HH2 ARG 76 -10.033 8.964 14.209 604 HH22 ARG 76 2HH2 ARG 76 -11.118 7.615 14.141 605 HA PRO 77 HA PRO 77 -13.780 17.479 13.580 606 HB2 PRO 77 2HB PRO 77 -16.264 18.572 13.254 607 HB3 PRO 77 1HB PRO 77 -14.983 18.704 12.032 608 HG2 PRO 77 2HG PRO 77 -17.339 16.895 12.114 609 HG3 PRO 77 1HG PRO 77 -16.585 17.709 10.735 610 HD2 PRO 77 2HD PRO 77 -16.212 15.065 11.347 611 HD3 PRO 77 1HD PRO 77 -15.048 16.050 10.435 612 H SER 78 H SER 78 -14.659 18.214 15.651 613 HA SER 78 HA SER 78 -15.638 16.077 17.333 614 HB2 SER 78 2HB SER 78 -15.187 19.049 17.618 615 HB3 SER 78 1HB SER 78 -15.845 18.098 18.947 616 HG SER 78 HG SER 78 -13.526 18.284 18.951 617 H ALA 79 H ALA 79 -17.720 15.772 18.186 618 HA ALA 79 HA ALA 79 -19.978 16.685 16.618 619 HB1 ALA 79 1HB ALA 79 -20.070 14.542 17.667 620 HB2 ALA 79 2HB ALA 79 -21.203 15.542 18.576 621 HB3 ALA 79 3HB ALA 79 -19.600 15.206 19.232 622 H ALA 80 H ALA 80 -21.503 18.284 17.130 623 HA ALA 80 HA ALA 80 -21.404 19.710 19.706 624 HB1 ALA 80 1HB ALA 80 -20.416 20.832 17.078 625 HB2 ALA 80 2HB ALA 80 -19.605 20.838 18.644 626 HB3 ALA 80 3HB ALA 80 -20.990 21.893 18.365 627 HA PRO 81 HA PRO 81 -25.501 19.565 17.517 628 HB2 PRO 81 2HB PRO 81 -26.963 18.844 19.720 629 HB3 PRO 81 1HB PRO 81 -26.175 17.666 18.651 630 HG2 PRO 81 2HG PRO 81 -25.288 18.711 21.293 631 HG3 PRO 81 1HG PRO 81 -25.186 17.070 20.636 632 HD2 PRO 81 2HD PRO 81 -23.070 18.773 20.716 633 HD3 PRO 81 1HD PRO 81 -23.256 17.510 19.479 634 H THR 82 H THR 82 -24.453 20.950 20.582 635 HA THR 82 HA THR 82 -26.276 23.284 20.100 636 HB THR 82 HB THR 82 -26.442 23.375 22.606 637 HG1 THR 82 1HG THR 82 -25.147 22.160 23.688 638 HG21 THR 82 3HG2 THR 82 -27.248 20.691 21.459 639 HG22 THR 82 1HG2 THR 82 -28.122 22.192 21.156 640 HG23 THR 82 2HG2 THR 82 -28.016 21.550 22.795 641 H ALA 83 H ALA 83 -25.211 25.227 20.075 642 HA ALA 83 HA ALA 83 -22.316 25.327 20.404 643 HB1 ALA 83 1HB ALA 83 -23.310 27.929 20.266 644 HB2 ALA 83 2HB ALA 83 -24.522 26.975 19.411 645 HB3 ALA 83 3HB ALA 83 -22.838 26.932 18.889 646 HA PRO 84 HA PRO 84 -23.361 27.901 24.260 647 HB2 PRO 84 2HB PRO 84 -25.952 28.139 25.086 648 HB3 PRO 84 1HB PRO 84 -25.207 29.249 23.920 649 HG2 PRO 84 2HG PRO 84 -27.092 27.010 23.461 650 HG3 PRO 84 1HG PRO 84 -26.930 28.548 22.604 651 HD2 PRO 84 2HD PRO 84 -25.984 26.111 21.702 652 HD3 PRO 84 1HD PRO 84 -25.427 27.700 21.139 653 HA PRO 85 HA PRO 85 -23.625 23.949 26.423 654 HB2 PRO 85 2HB PRO 85 -22.307 24.717 28.699 655 HB3 PRO 85 1HB PRO 85 -21.471 24.290 27.193 656 HG2 PRO 85 2HG PRO 85 -22.125 26.981 28.295 657 HG3 PRO 85 1HG PRO 85 -20.650 26.421 27.492 658 HD2 PRO 85 2HD PRO 85 -22.534 27.895 26.225 659 HD3 PRO 85 1HD PRO 85 -21.536 26.685 25.386 660 H THR 86 H THR 86 -24.659 27.080 27.614 661 HA THR 86 HA THR 86 -25.972 26.292 30.033 662 HB THR 86 HB THR 86 -26.576 28.499 28.029 663 HG1 THR 86 1HG THR 86 -25.020 28.504 30.400 664 HG21 THR 86 3HG2 THR 86 -28.435 28.556 29.425 665 HG22 THR 86 1HG2 THR 86 -27.319 29.592 30.315 666 HG23 THR 86 2HG2 THR 86 -27.545 27.913 30.806 667 H GLY 87 H GLY 87 -27.202 26.590 26.687 668 HA2 GLY 87 2HA GLY 87 -28.940 25.350 25.658 669 HA3 GLY 87 1HA GLY 87 -29.196 24.503 27.183 670 H ALA 88 H ALA 88 -31.254 25.667 25.472 671 HA ALA 88 HA ALA 88 -32.198 28.167 26.608 672 HB1 ALA 88 1HB ALA 88 -33.359 25.952 24.911 673 HB2 ALA 88 2HB ALA 88 -32.912 27.586 24.420 674 HB3 ALA 88 3HB ALA 88 -34.342 27.326 25.419 675 H ALA 89 H ALA 89 -33.719 28.471 28.266 676 HA ALA 89 HA ALA 89 -35.192 26.252 29.469 677 HB1 ALA 89 1HB ALA 89 -33.259 25.626 30.578 678 HB2 ALA 89 2HB ALA 89 -33.843 26.849 31.708 679 HB3 ALA 89 3HB ALA 89 -32.587 27.256 30.538 680 H ASP 90 H ASP 90 -33.753 29.338 30.604 681 HA ASP 90 HA ASP 90 -36.458 30.204 31.524 682 HB2 ASP 90 2HB ASP 90 -34.426 30.132 33.036 683 HB3 ASP 90 1HB ASP 90 -33.722 31.409 32.044 684 H SER 91 H SER 91 -35.214 30.333 28.648 685 HA SER 91 HA SER 91 -34.711 33.048 27.944 686 HB2 SER 91 2HB SER 91 -34.195 31.300 26.407 687 HB3 SER 91 1HB SER 91 -35.822 30.634 26.500 688 HG SER 91 HG SER 91 -34.953 33.048 25.294 689 H ILE 92 H ILE 92 -37.774 31.200 28.004 690 HA ILE 92 HA ILE 92 -39.241 33.817 27.848 691 HB ILE 92 HB ILE 92 -40.006 31.073 26.791 692 HG12 ILE 92 2HG1 ILE 92 -38.194 32.134 25.489 693 HG13 ILE 92 1HG1 ILE 92 -39.693 32.100 24.564 694 HG21 ILE 92 1HG2 ILE 92 -41.897 32.259 25.739 695 HG22 ILE 92 2HG2 ILE 92 -41.385 33.761 26.510 696 HG23 ILE 92 3HG2 ILE 92 -41.954 32.414 27.495 697 HD11 ILE 92 3HD1 ILE 92 -40.134 34.461 25.316 698 HD12 ILE 92 1HD1 ILE 92 -38.695 34.297 24.310 699 HD13 ILE 92 2HD1 ILE 92 -38.534 34.473 26.057 700 H ARG 93 H ARG 93 -40.496 34.211 29.613 701 HA ARG 93 HA ARG 93 -41.978 32.144 31.018 702 HB2 ARG 93 2HB ARG 93 -39.332 32.230 31.653 703 HB3 ARG 93 1HB ARG 93 -39.965 33.407 32.805 704 HG2 ARG 93 2HG ARG 93 -41.454 31.818 33.770 705 HG3 ARG 93 1HG ARG 93 -41.219 30.681 32.443 706 HD2 ARG 93 2HD ARG 93 -39.736 29.713 33.913 707 HD3 ARG 93 1HD ARG 93 -38.643 30.980 33.317 708 HE ARG 93 HE ARG 93 -40.433 31.538 35.642 709 HH11 ARG 93 1HH1 ARG 93 -37.575 30.070 35.599 710 HH12 ARG 93 2HH1 ARG 93 -36.626 31.356 36.265 711 HH21 ARG 93 1HH2 ARG 93 -39.114 33.743 35.881 712 HH22 ARG 93 2HH2 ARG 93 -37.498 33.438 36.426 713 HA PRO 94 HA PRO 94 -43.048 36.721 31.531 714 HB2 PRO 94 2HB PRO 94 -45.367 36.728 30.072 715 HB3 PRO 94 1HB PRO 94 -43.779 37.089 29.368 716 HG2 PRO 94 2HG PRO 94 -45.362 34.569 29.276 717 HG3 PRO 94 1HG PRO 94 -44.381 35.333 28.015 718 HD2 PRO 94 2HD PRO 94 -43.532 33.206 29.482 719 HD3 PRO 94 1HD PRO 94 -42.431 34.419 28.794 720 HA PRO 95 HA PRO 95 -45.853 35.456 34.710 721 HB2 PRO 95 2HB PRO 95 -46.938 37.868 35.411 722 HB3 PRO 95 1HB PRO 95 -45.288 37.386 35.848 723 HG2 PRO 95 2HG PRO 95 -46.220 39.203 33.691 724 HG3 PRO 95 1HG PRO 95 -44.781 39.306 34.717 725 HD2 PRO 95 2HD PRO 95 -44.759 38.428 32.121 726 HD3 PRO 95 1HD PRO 95 -43.547 37.975 33.339 727 HA PRO 96 HA PRO 96 -49.536 35.260 32.058 728 HB2 PRO 96 2HB PRO 96 -50.725 33.153 33.332 729 HB3 PRO 96 1HB PRO 96 -49.417 32.947 32.148 730 HG2 PRO 96 2HG PRO 96 -49.300 32.900 35.124 731 HG3 PRO 96 1HG PRO 96 -48.456 31.884 33.945 732 HD2 PRO 96 2HD PRO 96 -47.276 33.973 35.228 733 HD3 PRO 96 1HD PRO 96 -46.794 33.426 33.605 734 H TYR 97 H TYR 97 -51.716 35.953 32.423 735 HA TYR 97 HA TYR 97 -52.362 36.752 35.245 736 HB2 TYR 97 2HB TYR 97 -51.664 38.627 33.755 737 HB3 TYR 97 1HB TYR 97 -52.970 38.204 32.647 738 HD1 TYR 97 2HD TYR 97 -52.283 39.205 36.180 739 HD2 TYR 97 1HD TYR 97 -55.165 39.011 33.001 740 HE1 TYR 97 2HE TYR 97 -53.868 40.550 37.534 741 HE2 TYR 97 1HE TYR 97 -56.749 40.357 34.355 742 HH TYR 97 HH TYR 97 -57.084 40.764 36.922 743 H SER 98 H SER 98 -54.280 35.903 35.948 744 HA SER 98 HA SER 98 -56.571 35.555 34.154 745 HB2 SER 98 2HB SER 98 -54.854 33.607 33.865 746 HB3 SER 98 1HB SER 98 -55.449 33.066 35.432 747 HG SER 98 HG SER 98 -56.728 32.116 33.900 748 HA PRO 99 HA PRO 99 -57.604 36.159 38.603 749 HB2 PRO 99 2HB PRO 99 -59.599 37.983 38.187 750 HB3 PRO 99 1HB PRO 99 -57.887 38.436 38.303 751 HG2 PRO 99 2HG PRO 99 -59.605 38.136 35.901 752 HG3 PRO 99 1HG PRO 99 -58.314 39.300 36.229 753 HD2 PRO 99 2HD PRO 99 -58.029 37.081 34.640 754 HD3 PRO 99 1HD PRO 99 -56.688 37.897 35.472 Start of MODEL 6 1 H1 MET 1 1HT MET 1 31.493 -24.058 -35.071 2 H2 MET 1 2HT MET 1 30.085 -23.187 -34.690 3 H3 MET 1 3HT MET 1 31.251 -22.510 -35.722 4 HA MET 1 HA MET 1 29.526 -23.242 -37.139 5 HB2 MET 1 2HB MET 1 31.879 -25.139 -36.915 6 HB3 MET 1 1HB MET 1 30.776 -25.136 -38.292 7 HG2 MET 1 2HG MET 1 31.317 -22.791 -38.754 8 HG3 MET 1 1HG MET 1 32.374 -22.738 -37.343 9 HE1 MET 1 2HE MET 1 32.979 -25.056 -41.252 10 HE2 MET 1 3HE MET 1 31.657 -23.972 -40.826 11 HE3 MET 1 1HE MET 1 31.779 -25.565 -40.067 12 H GLY 2 H GLY 2 27.797 -23.842 -35.515 13 HA2 GLY 2 2HA GLY 2 27.613 -26.748 -34.940 14 HA3 GLY 2 1HA GLY 2 26.577 -25.497 -34.249 15 H ASN 3 H ASN 3 24.738 -26.827 -34.909 16 HA ASN 3 HA ASN 3 23.943 -26.295 -37.732 17 HB2 ASN 3 2HB ASN 3 23.216 -28.691 -37.903 18 HB3 ASN 3 1HB ASN 3 24.959 -28.521 -37.711 19 HD21 ASN 3 1HD2 ASN 3 24.604 -30.892 -36.895 20 HD22 ASN 3 2HD2 ASN 3 24.280 -31.082 -35.239 21 H LYS 4 H LYS 4 21.531 -26.932 -37.984 22 HA LYS 4 HA LYS 4 20.060 -26.017 -35.549 23 HB2 LYS 4 2HB LYS 4 19.302 -26.172 -38.488 24 HB3 LYS 4 1HB LYS 4 18.310 -25.456 -37.220 25 HG2 LYS 4 2HG LYS 4 21.108 -24.528 -37.932 26 HG3 LYS 4 1HG LYS 4 19.627 -23.757 -38.498 27 HD2 LYS 4 2HD LYS 4 18.956 -23.326 -36.162 28 HD3 LYS 4 1HD LYS 4 20.439 -24.089 -35.595 29 HE2 LYS 4 2HE LYS 4 21.784 -22.386 -36.781 30 HE3 LYS 4 1HE LYS 4 20.292 -21.611 -37.350 31 HZ1 LYS 4 3HZ LYS 4 21.190 -20.660 -35.242 32 HZ2 LYS 4 1HZ LYS 4 20.883 -22.150 -34.491 33 HZ3 LYS 4 2HZ LYS 4 19.596 -21.236 -35.121 34 H GLN 5 H GLN 5 18.227 -27.199 -34.812 35 HA GLN 5 HA GLN 5 17.797 -29.908 -36.021 36 HB2 GLN 5 2HB GLN 5 18.258 -29.128 -33.126 37 HB3 GLN 5 1HB GLN 5 17.692 -30.722 -33.625 38 HG2 GLN 5 2HG GLN 5 19.713 -31.061 -34.959 39 HG3 GLN 5 1HG GLN 5 20.274 -29.436 -34.564 40 HE21 GLN 5 1HE2 GLN 5 22.159 -30.998 -33.747 41 HE22 GLN 5 2HE2 GLN 5 22.058 -31.457 -32.116 42 H ALA 6 H ALA 6 15.660 -30.800 -35.510 43 HA ALA 6 HA ALA 6 13.618 -28.672 -35.031 44 HB1 ALA 6 1HB ALA 6 13.838 -30.329 -37.074 45 HB2 ALA 6 2HB ALA 6 12.243 -29.973 -36.408 46 HB3 ALA 6 3HB ALA 6 13.066 -31.471 -35.975 47 H LYS 7 H LYS 7 15.149 -30.004 -32.830 48 HA LYS 7 HA LYS 7 13.577 -32.016 -31.526 49 HB2 LYS 7 2HB LYS 7 15.946 -31.382 -31.036 50 HB3 LYS 7 1HB LYS 7 15.366 -29.867 -30.342 51 HG2 LYS 7 2HG LYS 7 14.078 -31.095 -28.662 52 HG3 LYS 7 1HG LYS 7 14.570 -32.630 -29.377 53 HD2 LYS 7 2HD LYS 7 16.935 -32.092 -28.889 54 HD3 LYS 7 1HD LYS 7 16.429 -30.571 -28.152 55 HE2 LYS 7 2HE LYS 7 15.124 -31.803 -26.459 56 HE3 LYS 7 1HE LYS 7 15.606 -33.341 -27.203 57 HZ1 LYS 7 3HZ LYS 7 17.115 -32.779 -25.408 58 HZ2 LYS 7 1HZ LYS 7 17.445 -31.274 -26.115 59 HZ3 LYS 7 2HZ LYS 7 17.930 -32.701 -26.897 60 H ALA 8 H ALA 8 13.546 -28.454 -31.286 61 HA ALA 8 HA ALA 8 10.975 -28.663 -29.750 62 HB1 ALA 8 1HB ALA 8 12.300 -27.569 -28.238 63 HB2 ALA 8 2HB ALA 8 11.956 -26.160 -29.242 64 HB3 ALA 8 3HB ALA 8 13.452 -27.064 -29.475 65 HA PRO 9 HA PRO 9 10.094 -26.589 -33.799 66 HB2 PRO 9 2HB PRO 9 7.705 -27.844 -34.248 67 HB3 PRO 9 1HB PRO 9 9.265 -28.543 -34.730 68 HG2 PRO 9 2HG PRO 9 7.562 -29.160 -32.368 69 HG3 PRO 9 1HG PRO 9 8.500 -30.250 -33.398 70 HD2 PRO 9 2HD PRO 9 9.330 -29.420 -30.936 71 HD3 PRO 9 1HD PRO 9 10.442 -29.882 -32.242 72 H GLU 10 H GLU 10 8.567 -24.876 -34.116 73 HA GLU 10 HA GLU 10 7.257 -23.912 -31.653 74 HB2 GLU 10 2HB GLU 10 7.651 -22.808 -34.450 75 HB3 GLU 10 1HB GLU 10 6.859 -21.913 -33.154 76 HG2 GLU 10 2HG GLU 10 8.881 -22.052 -31.778 77 HG3 GLU 10 1HG GLU 10 9.679 -23.024 -33.012 78 H SER 11 H SER 11 4.988 -23.357 -31.590 79 HA SER 11 HA SER 11 3.232 -24.312 -33.773 80 HB2 SER 11 2HB SER 11 2.097 -25.908 -32.315 81 HB3 SER 11 1HB SER 11 3.820 -26.275 -32.324 82 HG SER 11 HG SER 11 2.806 -26.194 -30.207 83 H LYS 12 H LYS 12 0.973 -23.628 -33.395 84 HA LYS 12 HA LYS 12 0.769 -20.997 -32.207 85 HB2 LYS 12 2HB LYS 12 -0.494 -21.871 -34.184 86 HB3 LYS 12 1HB LYS 12 -1.389 -22.936 -33.099 87 HG2 LYS 12 2HG LYS 12 -2.225 -20.985 -31.854 88 HG3 LYS 12 1HG LYS 12 -1.318 -19.910 -32.919 89 HD2 LYS 12 2HD LYS 12 -3.400 -21.866 -33.925 90 HD3 LYS 12 1HD LYS 12 -3.764 -20.186 -33.525 91 HE2 LYS 12 2HE LYS 12 -1.958 -19.483 -35.147 92 HE3 LYS 12 1HE LYS 12 -1.838 -21.181 -35.650 93 HZ1 LYS 12 3HZ LYS 12 -4.236 -21.168 -36.065 94 HZ2 LYS 12 1HZ LYS 12 -3.434 -20.032 -37.036 95 HZ3 LYS 12 2HZ LYS 12 -4.301 -19.517 -35.668 96 H ASP 13 H ASP 13 0.133 -20.443 -30.159 97 HA ASP 13 HA ASP 13 -0.509 -22.624 -28.243 98 HB2 ASP 13 2HB ASP 13 0.297 -19.710 -28.035 99 HB3 ASP 13 1HB ASP 13 -0.143 -20.670 -26.624 100 H SER 14 H SER 14 -2.682 -23.067 -28.145 101 HA SER 14 HA SER 14 -4.588 -20.750 -28.025 102 HB2 SER 14 2HB SER 14 -4.734 -23.467 -29.344 103 HB3 SER 14 1HB SER 14 -6.187 -22.526 -29.016 104 HG SER 14 HG SER 14 -4.903 -22.286 -31.127 105 HA PRO 15 HA PRO 15 -4.784 -23.307 -24.142 106 HB2 PRO 15 2HB PRO 15 -4.719 -21.208 -22.389 107 HB3 PRO 15 1HB PRO 15 -3.254 -21.980 -23.026 108 HG2 PRO 15 2HG PRO 15 -4.557 -19.435 -23.838 109 HG3 PRO 15 1HG PRO 15 -2.838 -19.833 -23.709 110 HD2 PRO 15 2HD PRO 15 -4.208 -19.743 -26.075 111 HD3 PRO 15 1HD PRO 15 -2.759 -20.734 -25.809 112 H ARG 16 H ARG 16 -6.742 -23.749 -23.120 113 HA ARG 16 HA ARG 16 -9.161 -22.488 -24.072 114 HB2 ARG 16 2HB ARG 16 -8.500 -24.412 -21.824 115 HB3 ARG 16 1HB ARG 16 -10.153 -23.967 -22.250 116 HG2 ARG 16 2HG ARG 16 -9.795 -24.777 -24.545 117 HG3 ARG 16 1HG ARG 16 -8.132 -25.205 -24.141 118 HD2 ARG 16 2HD ARG 16 -8.943 -26.816 -22.451 119 HD3 ARG 16 1HD ARG 16 -10.618 -26.387 -22.850 120 HE ARG 16 HE ARG 16 -9.352 -27.023 -25.294 121 HH11 ARG 16 1HH1 ARG 16 -11.419 -28.335 -23.074 122 HH12 ARG 16 2HH1 ARG 16 -11.042 -29.993 -23.404 123 HH21 ARG 16 1HH2 ARG 16 -8.306 -29.250 -25.400 124 HH22 ARG 16 2HH2 ARG 16 -9.279 -30.511 -24.721 125 H ALA 17 H ALA 17 -7.300 -22.246 -21.047 126 HA ALA 17 HA ALA 17 -8.563 -19.633 -20.475 127 HB1 ALA 17 1HB ALA 17 -8.993 -20.710 -18.075 128 HB2 ALA 17 2HB ALA 17 -9.059 -22.201 -19.015 129 HB3 ALA 17 3HB ALA 17 -10.178 -20.885 -19.370 130 H SER 18 H SER 18 -7.303 -18.380 -19.028 131 HA SER 18 HA SER 18 -4.512 -19.272 -18.689 132 HB2 SER 18 2HB SER 18 -4.983 -17.026 -19.481 133 HB3 SER 18 1HB SER 18 -6.028 -16.711 -18.099 134 HG SER 18 HG SER 18 -4.265 -16.728 -16.773 135 H LEU 19 H LEU 19 -3.488 -18.716 -16.480 136 HA LEU 19 HA LEU 19 -5.093 -20.049 -14.383 137 HB2 LEU 19 2HB LEU 19 -2.247 -19.492 -15.026 138 HB3 LEU 19 1HB LEU 19 -2.643 -19.570 -13.304 139 HG LEU 19 HG LEU 19 -2.018 -21.792 -14.279 140 HD11 LEU 19 1HD1 LEU 19 -4.625 -22.618 -13.623 141 HD12 LEU 19 2HD1 LEU 19 -4.381 -21.117 -12.728 142 HD13 LEU 19 3HD1 LEU 19 -3.251 -22.453 -12.530 143 HD21 LEU 19 3HD2 LEU 19 -3.323 -22.866 -15.921 144 HD22 LEU 19 1HD2 LEU 19 -3.231 -21.208 -16.521 145 HD23 LEU 19 2HD2 LEU 19 -4.687 -21.772 -15.703 146 H ILE 20 H ILE 20 -6.569 -18.440 -13.821 147 HA ILE 20 HA ILE 20 -5.638 -16.515 -11.850 148 HB ILE 20 HB ILE 20 -5.034 -15.378 -13.930 149 HG12 ILE 20 2HG1 ILE 20 -7.531 -13.933 -13.178 150 HG13 ILE 20 1HG1 ILE 20 -6.364 -14.258 -11.894 151 HG21 ILE 20 1HG2 ILE 20 -7.959 -15.595 -14.701 152 HG22 ILE 20 2HG2 ILE 20 -6.669 -16.581 -15.386 153 HG23 ILE 20 3HG2 ILE 20 -6.673 -14.837 -15.639 154 HD11 ILE 20 3HD1 ILE 20 -5.431 -13.137 -14.520 155 HD12 ILE 20 1HD1 ILE 20 -4.675 -13.017 -12.933 156 HD13 ILE 20 2HD1 ILE 20 -6.113 -12.063 -13.298 157 HA PRO 21 HA PRO 21 -10.108 -18.014 -11.798 158 HB2 PRO 21 2HB PRO 21 -9.958 -19.542 -9.536 159 HB3 PRO 21 1HB PRO 21 -9.636 -20.193 -11.156 160 HG2 PRO 21 2HG PRO 21 -7.727 -19.361 -9.034 161 HG3 PRO 21 1HG PRO 21 -7.634 -20.716 -10.170 162 HD2 PRO 21 2HD PRO 21 -6.247 -18.378 -10.474 163 HD3 PRO 21 1HD PRO 21 -6.714 -19.434 -11.825 164 H ASP 22 H ASP 22 -11.699 -17.194 -10.278 165 HA ASP 22 HA ASP 22 -12.499 -15.586 -8.733 166 HB2 ASP 22 2HB ASP 22 -10.113 -16.866 -7.371 167 HB3 ASP 22 1HB ASP 22 -11.163 -15.722 -6.536 168 H ALA 23 H ALA 23 -11.468 -13.697 -7.178 169 HA ALA 23 HA ALA 23 -9.439 -12.245 -8.851 170 HB1 ALA 23 1HB ALA 23 -11.963 -11.552 -8.795 171 HB2 ALA 23 2HB ALA 23 -10.741 -10.294 -8.610 172 HB3 ALA 23 3HB ALA 23 -11.582 -10.922 -7.192 173 H THR 24 H THR 24 -7.622 -11.722 -7.722 174 HA THR 24 HA THR 24 -7.795 -11.189 -4.803 175 HB THR 24 HB THR 24 -7.419 -13.605 -5.044 176 HG1 THR 24 1HG THR 24 -6.298 -12.889 -3.354 177 HG21 THR 24 3HG2 THR 24 -6.486 -13.727 -7.264 178 HG22 THR 24 1HG2 THR 24 -5.274 -14.361 -6.149 179 HG23 THR 24 2HG2 THR 24 -5.110 -12.727 -6.795 180 H HIS 25 H HIS 25 -5.977 -9.979 -4.031 181 HA HIS 25 HA HIS 25 -3.964 -9.090 -6.042 182 HB2 HIS 25 2HB HIS 25 -4.474 -6.728 -5.394 183 HB3 HIS 25 1HB HIS 25 -5.855 -7.526 -6.142 184 HD2 HIS 25 2HD HIS 25 -5.082 -5.624 -2.925 185 HE1 HIS 25 1HE HIS 25 -8.584 -7.840 -2.119 186 HE2 HIS 25 2HE HIS 25 -7.058 -6.002 -1.268 187 H LEU 26 H LEU 26 -4.269 -10.564 -3.223 188 HA LEU 26 HA LEU 26 -1.846 -9.276 -2.075 189 HB2 LEU 26 2HB LEU 26 -4.541 -9.721 -0.804 190 HB3 LEU 26 1HB LEU 26 -3.084 -9.619 0.188 191 HG LEU 26 HG LEU 26 -3.820 -7.518 -1.863 192 HD11 LEU 26 1HD1 LEU 26 -5.402 -7.986 0.249 193 HD12 LEU 26 2HD1 LEU 26 -5.040 -6.348 -0.295 194 HD13 LEU 26 3HD1 LEU 26 -4.156 -7.042 1.064 195 HD21 LEU 26 3HD2 LEU 26 -1.690 -7.940 0.180 196 HD22 LEU 26 1HD2 LEU 26 -2.309 -6.297 0.007 197 HD23 LEU 26 2HD2 LEU 26 -1.604 -7.124 -1.382 198 H GLY 27 H GLY 27 -0.478 -11.054 -2.357 199 HA2 GLY 27 2HA GLY 27 -0.875 -13.373 -0.659 200 HA3 GLY 27 1HA GLY 27 -1.107 -13.774 -2.360 201 HA PRO 28 HA PRO 28 3.217 -14.044 -2.992 202 HB2 PRO 28 2HB PRO 28 3.733 -12.576 -5.244 203 HB3 PRO 28 1HB PRO 28 2.898 -14.143 -5.281 204 HG2 PRO 28 2HG PRO 28 1.756 -11.389 -5.383 205 HG3 PRO 28 1HG PRO 28 1.306 -12.830 -6.311 206 HD2 PRO 28 2HD PRO 28 -0.120 -11.973 -4.178 207 HD3 PRO 28 1HD PRO 28 0.023 -13.695 -4.602 208 H GLN 29 H GLN 29 5.131 -13.012 -2.364 209 HA GLN 29 HA GLN 29 4.927 -10.071 -1.817 210 HB2 GLN 29 2HB GLN 29 5.977 -12.389 -0.203 211 HB3 GLN 29 1HB GLN 29 6.543 -10.746 0.111 212 HG2 GLN 29 2HG GLN 29 4.251 -9.988 0.473 213 HG3 GLN 29 1HG GLN 29 3.632 -11.587 0.064 214 HE21 GLN 29 1HE2 GLN 29 3.530 -10.018 2.695 215 HE22 GLN 29 2HE2 GLN 29 4.175 -11.087 3.846 216 H PHE 30 H PHE 30 6.016 -9.514 -3.733 217 HA PHE 30 HA PHE 30 8.952 -10.087 -3.719 218 HB2 PHE 30 2HB PHE 30 7.766 -11.575 -5.327 219 HB3 PHE 30 1HB PHE 30 7.067 -10.154 -6.105 220 HD1 PHE 30 2HD PHE 30 8.603 -8.454 -7.188 221 HD2 PHE 30 1HD PHE 30 9.992 -12.283 -5.818 222 HE1 PHE 30 2HE PHE 30 10.640 -8.213 -8.581 223 HE2 PHE 30 1HE PHE 30 12.029 -12.039 -7.212 224 HZ PHE 30 HZ PHE 30 12.353 -10.006 -8.593 225 H CYS 31 H CYS 31 9.663 -7.993 -3.232 226 HA CYS 31 HA CYS 31 8.267 -5.617 -4.181 227 HB2 CYS 31 2HB CYS 31 9.789 -5.985 -2.098 228 HB3 CYS 31 1HB CYS 31 11.126 -5.732 -3.222 229 HG CYS 31 HG CYS 31 10.470 -3.373 -2.341 230 H LYS 32 H LYS 32 8.292 -5.190 -6.335 231 HA LYS 32 HA LYS 32 10.674 -5.861 -7.978 232 HB2 LYS 32 2HB LYS 32 9.142 -5.442 -9.837 233 HB3 LYS 32 1HB LYS 32 8.323 -6.448 -8.644 234 HG2 LYS 32 2HG LYS 32 7.200 -4.446 -7.723 235 HG3 LYS 32 1HG LYS 32 8.028 -3.440 -8.908 236 HD2 LYS 32 2HD LYS 32 6.929 -4.673 -10.734 237 HD3 LYS 32 1HD LYS 32 6.107 -5.695 -9.552 238 HE2 LYS 32 2HE LYS 32 4.979 -3.716 -8.604 239 HE3 LYS 32 1HE LYS 32 5.805 -2.680 -9.784 240 HZ1 LYS 32 3HZ LYS 32 4.867 -4.076 -11.556 241 HZ2 LYS 32 1HZ LYS 32 3.662 -3.302 -10.649 242 HZ3 LYS 32 2HZ LYS 32 3.987 -4.950 -10.393 243 H SER 33 H SER 33 9.404 -3.160 -6.284 244 HA SER 33 HA SER 33 10.138 -1.040 -8.095 245 HB2 SER 33 2HB SER 33 8.607 -1.165 -5.970 246 HB3 SER 33 1HB SER 33 10.097 -0.823 -5.096 247 HG SER 33 HG SER 33 8.519 0.869 -6.375 248 H CYS 34 H CYS 34 11.753 -1.958 -4.986 249 HA CYS 34 HA CYS 34 14.152 -0.528 -5.844 250 HB2 CYS 34 2HB CYS 34 15.030 -1.247 -3.635 251 HB3 CYS 34 1HB CYS 34 13.463 -0.468 -3.524 252 HG CYS 34 HG CYS 34 12.380 -2.814 -3.126 253 H TRP 35 H TRP 35 13.400 -3.999 -5.279 254 HA TRP 35 HA TRP 35 14.908 -5.067 -7.394 255 HB2 TRP 35 2HB TRP 35 16.972 -5.813 -6.003 256 HB3 TRP 35 1HB TRP 35 16.940 -4.134 -6.527 257 HD1 TRP 35 HD TRP 35 15.574 -6.070 -3.463 258 HE1 TRP 35 1HE TRP 35 16.088 -4.693 -1.347 259 HE3 TRP 35 3HE TRP 35 17.915 -2.047 -5.572 260 HZ2 TRP 35 2HZ TRP 35 17.326 -2.215 -0.642 261 HZ3 TRP 35 3HZ TRP 35 18.749 -0.194 -4.153 262 HH2 TRP 35 HH TRP 35 18.457 -0.274 -1.692 263 H PHE 36 H PHE 36 15.834 -7.428 -6.563 264 HA PHE 36 HA PHE 36 13.504 -8.699 -5.208 265 HB2 PHE 36 2HB PHE 36 14.166 -9.617 -7.323 266 HB3 PHE 36 1HB PHE 36 15.867 -9.613 -6.875 267 HD1 PHE 36 1HD PHE 36 12.788 -10.889 -5.116 268 HD2 PHE 36 2HD PHE 36 16.638 -11.801 -6.789 269 HE1 PHE 36 1HE PHE 36 12.583 -13.224 -4.318 270 HE2 PHE 36 2HE PHE 36 16.430 -14.139 -5.992 271 HZ PHE 36 HZ PHE 36 14.401 -14.851 -4.755 272 H GLU 37 H GLU 37 13.655 -9.249 -3.081 273 HA GLU 37 HA GLU 37 16.125 -10.296 -1.913 274 HB2 GLU 37 2HB GLU 37 16.443 -7.804 -1.996 275 HB3 GLU 37 1HB GLU 37 15.017 -7.633 -0.970 276 HG2 GLU 37 2HG GLU 37 16.938 -7.584 0.485 277 HG3 GLU 37 1HG GLU 37 16.155 -9.148 0.705 278 H ASN 38 H ASN 38 12.859 -8.960 -1.334 279 HA ASN 38 HA ASN 38 11.123 -9.688 0.098 280 HB2 ASN 38 2HB ASN 38 11.973 -11.814 -1.213 281 HB3 ASN 38 1HB ASN 38 12.622 -12.287 0.355 282 HD21 ASN 38 1HD2 ASN 38 10.048 -12.932 -1.499 283 HD22 ASN 38 2HD2 ASN 38 8.835 -13.105 -0.325 284 H LYS 39 H LYS 39 13.705 -8.536 1.182 285 HA LYS 39 HA LYS 39 14.406 -9.835 3.653 286 HB2 LYS 39 2HB LYS 39 15.758 -8.168 2.396 287 HB3 LYS 39 1HB LYS 39 14.582 -6.923 2.819 288 HG2 LYS 39 2HG LYS 39 15.032 -7.278 5.205 289 HG3 LYS 39 1HG LYS 39 16.171 -8.566 4.810 290 HD2 LYS 39 2HD LYS 39 17.566 -6.954 3.566 291 HD3 LYS 39 1HD LYS 39 16.435 -5.663 3.975 292 HE2 LYS 39 2HE LYS 39 16.881 -6.014 6.377 293 HE3 LYS 39 1HE LYS 39 18.015 -7.320 5.975 294 HZ1 LYS 39 3HZ LYS 39 18.215 -4.559 4.902 295 HZ2 LYS 39 1HZ LYS 39 19.344 -5.810 4.715 296 HZ3 LYS 39 2HZ LYS 39 19.097 -5.114 6.244 297 H GLY 40 H GLY 40 12.229 -7.071 2.976 298 HA2 GLY 40 2HA GLY 40 10.589 -7.769 5.323 299 HA3 GLY 40 1HA GLY 40 11.413 -6.212 5.424 300 H LEU 41 H LEU 41 9.685 -7.978 2.840 301 HA LEU 41 HA LEU 41 8.677 -5.617 1.577 302 HB2 LEU 41 2HB LEU 41 8.966 -7.791 0.474 303 HB3 LEU 41 1HB LEU 41 7.746 -8.499 1.530 304 HG LEU 41 HG LEU 41 6.102 -6.809 0.618 305 HD11 LEU 41 1HD1 LEU 41 6.649 -5.371 -1.098 306 HD12 LEU 41 2HD1 LEU 41 7.893 -6.441 -1.740 307 HD13 LEU 41 3HD1 LEU 41 8.226 -5.458 -0.315 308 HD21 LEU 41 3HD2 LEU 41 6.274 -7.990 -1.796 309 HD22 LEU 41 1HD2 LEU 41 5.717 -8.849 -0.359 310 HD23 LEU 41 2HD2 LEU 41 7.386 -9.019 -0.896 311 H VAL 42 H VAL 42 6.782 -4.519 1.819 312 HA VAL 42 HA VAL 42 4.948 -5.354 4.039 313 HB VAL 42 HB VAL 42 5.588 -2.630 2.849 314 HG11 VAL 42 1HG1 VAL 42 3.486 -2.250 3.695 315 HG12 VAL 42 2HG1 VAL 42 4.401 -2.082 5.194 316 HG13 VAL 42 3HG1 VAL 42 3.583 -3.601 4.826 317 HG21 VAL 42 3HG2 VAL 42 6.402 -3.961 5.449 318 HG22 VAL 42 1HG2 VAL 42 6.635 -2.247 5.101 319 HG23 VAL 42 2HG2 VAL 42 7.467 -3.465 4.134 320 H GLU 43 H GLU 43 2.919 -5.925 3.322 321 HA GLU 43 HA GLU 43 2.304 -5.730 0.478 322 HB2 GLU 43 2HB GLU 43 0.924 -6.834 2.927 323 HB3 GLU 43 1HB GLU 43 0.171 -6.875 1.332 324 HG2 GLU 43 2HG GLU 43 2.056 -8.133 0.427 325 HG3 GLU 43 1HG GLU 43 2.904 -8.027 1.969 326 H CYS 44 H CYS 44 1.752 -3.724 -0.236 327 HA CYS 44 HA CYS 44 0.085 -1.796 1.188 328 HB2 CYS 44 2HB CYS 44 1.709 -1.842 -1.052 329 HB3 CYS 44 1HB CYS 44 0.110 -1.872 -1.787 330 HG CYS 44 HG CYS 44 -0.397 0.356 -0.350 331 H ASN 45 H ASN 45 -2.263 -1.326 0.004 332 HA ASN 45 HA ASN 45 -3.943 -3.559 0.397 333 HB2 ASN 45 2HB ASN 45 -4.695 -1.222 0.180 334 HB3 ASN 45 1HB ASN 45 -4.245 -1.223 -1.525 335 HD21 ASN 45 1HD2 ASN 45 -6.670 -2.309 0.782 336 HD22 ASN 45 2HD2 ASN 45 -7.751 -2.939 -0.365 337 H ASN 46 H ASN 46 -3.329 -2.297 -2.907 338 HA ASN 46 HA ASN 46 -3.296 -5.128 -3.897 339 HB2 ASN 46 2HB ASN 46 -4.073 -4.111 -6.022 340 HB3 ASN 46 1HB ASN 46 -5.144 -3.715 -4.680 341 HD21 ASN 46 1HD2 ASN 46 -2.344 -2.368 -6.497 342 HD22 ASN 46 2HD2 ASN 46 -2.787 -0.745 -6.272 343 H HIS 47 H HIS 47 -0.930 -3.524 -2.842 344 HA HIS 47 HA HIS 47 0.833 -3.825 -5.240 345 HB2 HIS 47 2HB HIS 47 0.339 -1.561 -5.446 346 HB3 HIS 47 1HB HIS 47 -0.023 -1.378 -3.739 347 HD2 HIS 47 2HD HIS 47 3.525 -2.457 -5.189 348 HE1 HIS 47 1HE HIS 47 3.961 1.140 -3.026 349 HE2 HIS 47 2HE HIS 47 5.197 -0.689 -4.274 350 H TYR 48 H TYR 48 3.075 -4.281 -4.649 351 HA TYR 48 HA TYR 48 3.495 -4.847 -1.725 352 HB2 TYR 48 2HB TYR 48 4.741 -6.108 -4.186 353 HB3 TYR 48 1HB TYR 48 5.057 -6.585 -2.522 354 HD1 TYR 48 2HD TYR 48 3.121 -7.465 -1.113 355 HD2 TYR 48 1HD TYR 48 2.897 -6.946 -5.369 356 HE1 TYR 48 2HE TYR 48 1.192 -9.024 -1.203 357 HE2 TYR 48 1HE TYR 48 0.973 -8.505 -5.461 358 HH TYR 48 HH TYR 48 -0.738 -9.398 -4.031 359 H LEU 49 H LEU 49 4.936 -3.517 -0.778 360 HA LEU 49 HA LEU 49 7.439 -2.778 -2.205 361 HB2 LEU 49 2HB LEU 49 5.640 -0.931 -2.357 362 HB3 LEU 49 1HB LEU 49 5.821 -0.757 -0.614 363 HG LEU 49 HG LEU 49 8.307 -0.450 -1.003 364 HD11 LEU 49 1HD1 LEU 49 8.611 -1.386 -3.176 365 HD12 LEU 49 2HD1 LEU 49 8.850 0.348 -3.368 366 HD13 LEU 49 3HD1 LEU 49 7.329 -0.392 -3.865 367 HD21 LEU 49 3HD2 LEU 49 8.089 1.891 -1.676 368 HD22 LEU 49 1HD2 LEU 49 6.744 1.455 -0.622 369 HD23 LEU 49 2HD2 LEU 49 6.498 1.570 -2.365 370 H CYS 50 H CYS 50 9.210 -2.642 -0.664 371 HA CYS 50 HA CYS 50 8.528 -3.700 2.013 372 HB2 CYS 50 2HB CYS 50 10.854 -4.390 2.074 373 HB3 CYS 50 1HB CYS 50 10.185 -4.836 0.509 374 HG CYS 50 HG CYS 50 12.375 -3.672 -0.103 375 H LEU 51 H LEU 51 9.470 -2.753 3.900 376 HA LEU 51 HA LEU 51 9.192 0.059 4.098 377 HB2 LEU 51 2HB LEU 51 10.208 -0.299 6.350 378 HB3 LEU 51 1HB LEU 51 8.968 -1.495 5.984 379 HG LEU 51 HG LEU 51 11.090 -2.822 5.017 380 HD11 LEU 51 1HD1 LEU 51 12.888 -2.402 6.888 381 HD12 LEU 51 2HD1 LEU 51 12.163 -0.795 6.953 382 HD13 LEU 51 3HD1 LEU 51 12.871 -1.384 5.451 383 HD21 LEU 51 3HD2 LEU 51 10.497 -2.663 7.984 384 HD22 LEU 51 1HD2 LEU 51 11.112 -4.058 7.094 385 HD23 LEU 51 2HD2 LEU 51 9.464 -3.494 6.822 386 H ASN 52 H ASN 52 11.909 -1.881 3.118 387 HA ASN 52 HA ASN 52 14.067 -0.139 3.763 388 HB2 ASN 52 2HB ASN 52 13.900 -2.578 2.782 389 HB3 ASN 52 1HB ASN 52 13.932 -1.750 1.225 390 HD21 ASN 52 1HD2 ASN 52 16.092 -2.739 0.845 391 HD22 ASN 52 2HD2 ASN 52 17.467 -2.078 1.592 392 H CYS 53 H CYS 53 12.192 -0.394 0.692 393 HA CYS 53 HA CYS 53 13.374 2.190 -0.192 394 HB2 CYS 53 2HB CYS 53 12.361 1.605 -2.354 395 HB3 CYS 53 1HB CYS 53 13.293 0.254 -1.722 396 HG CYS 53 HG CYS 53 11.232 -1.114 -1.662 397 H LEU 54 H LEU 54 10.348 0.808 0.895 398 HA LEU 54 HA LEU 54 8.546 2.888 0.123 399 HB2 LEU 54 2HB LEU 54 7.975 0.614 0.977 400 HB3 LEU 54 1HB LEU 54 8.559 1.087 2.568 401 HG LEU 54 HG LEU 54 6.442 2.696 1.179 402 HD11 LEU 54 1HD1 LEU 54 5.849 0.436 3.084 403 HD12 LEU 54 2HD1 LEU 54 5.861 0.199 1.336 404 HD13 LEU 54 3HD1 LEU 54 4.717 1.328 2.066 405 HD21 LEU 54 3HD2 LEU 54 7.645 2.500 3.877 406 HD22 LEU 54 1HD2 LEU 54 5.889 2.670 3.865 407 HD23 LEU 54 2HD2 LEU 54 6.900 3.883 3.080 408 H THR 55 H THR 55 10.469 2.439 3.108 409 HA THR 55 HA THR 55 9.546 4.788 4.475 410 HB THR 55 HB THR 55 12.139 3.228 4.594 411 HG1 THR 55 1HG THR 55 9.834 3.110 6.226 412 HG21 THR 55 3HG2 THR 55 12.874 4.710 6.121 413 HG22 THR 55 1HG2 THR 55 11.455 4.370 7.110 414 HG23 THR 55 2HG2 THR 55 11.407 5.667 5.916 415 H LEU 56 H LEU 56 12.381 4.256 2.340 416 HA LEU 56 HA LEU 56 13.512 6.866 2.584 417 HB2 LEU 56 2HB LEU 56 13.520 4.787 0.379 418 HB3 LEU 56 1HB LEU 56 14.516 6.239 0.323 419 HG LEU 56 HG LEU 56 14.577 4.299 2.645 420 HD11 LEU 56 1HD1 LEU 56 16.557 4.456 0.359 421 HD12 LEU 56 2HD1 LEU 56 15.259 3.264 0.425 422 HD13 LEU 56 3HD1 LEU 56 16.513 3.272 1.665 423 HD21 LEU 56 3HD2 LEU 56 16.292 5.591 3.466 424 HD22 LEU 56 1HD2 LEU 56 15.471 6.850 2.546 425 HD23 LEU 56 2HD2 LEU 56 16.871 6.029 1.859 426 H LEU 57 H LEU 57 11.085 5.582 0.301 427 HA LEU 57 HA LEU 57 10.712 8.309 -0.848 428 HB2 LEU 57 2HB LEU 57 10.848 5.948 -2.067 429 HB3 LEU 57 1HB LEU 57 9.136 5.890 -1.647 430 HG LEU 57 HG LEU 57 10.114 8.435 -2.835 431 HD11 LEU 57 1HD1 LEU 57 11.257 6.737 -4.209 432 HD12 LEU 57 2HD1 LEU 57 9.974 7.534 -5.117 433 HD13 LEU 57 3HD1 LEU 57 9.718 5.913 -4.470 434 HD21 LEU 57 3HD2 LEU 57 7.627 6.792 -2.723 435 HD22 LEU 57 1HD2 LEU 57 7.870 7.767 -4.174 436 HD23 LEU 57 2HD2 LEU 57 7.829 8.540 -2.594 437 H LEU 58 H LEU 58 9.714 7.218 1.948 438 HA LEU 58 HA LEU 58 7.773 7.542 3.285 439 HB2 LEU 58 2HB LEU 58 7.457 9.406 0.965 440 HB3 LEU 58 1HB LEU 58 6.029 9.086 1.951 441 HG LEU 58 HG LEU 58 8.650 9.775 3.231 442 HD11 LEU 58 1HD1 LEU 58 6.778 11.554 1.737 443 HD12 LEU 58 2HD1 LEU 58 8.522 11.698 1.964 444 HD13 LEU 58 3HD1 LEU 58 7.422 12.159 3.263 445 HD21 LEU 58 3HD2 LEU 58 6.040 9.140 4.142 446 HD22 LEU 58 1HD2 LEU 58 6.268 10.863 4.449 447 HD23 LEU 58 2HD2 LEU 58 7.408 9.689 5.108 448 H SER 59 H SER 59 5.861 6.293 3.550 449 HA SER 59 HA SER 59 5.291 4.291 1.532 450 HB2 SER 59 2HB SER 59 4.845 4.380 4.149 451 HB3 SER 59 1HB SER 59 3.325 5.127 3.667 452 HG SER 59 HG SER 59 2.667 3.189 3.216 453 H VAL 60 H VAL 60 3.247 6.913 2.804 454 HA VAL 60 HA VAL 60 2.541 7.761 0.081 455 HB VAL 60 HB VAL 60 0.976 5.953 0.527 456 HG11 VAL 60 1HG1 VAL 60 1.185 6.555 3.135 457 HG12 VAL 60 2HG1 VAL 60 -0.192 5.669 2.483 458 HG13 VAL 60 3HG1 VAL 60 -0.318 7.403 2.776 459 HG21 VAL 60 3HG2 VAL 60 0.240 8.674 -0.002 460 HG22 VAL 60 1HG2 VAL 60 -1.059 7.912 0.917 461 HG23 VAL 60 2HG2 VAL 60 -0.516 7.200 -0.600 462 H SER 61 H SER 61 3.960 9.393 1.520 463 HA SER 61 HA SER 61 2.825 10.908 3.631 464 HB2 SER 61 2HB SER 61 4.391 12.660 2.878 465 HB3 SER 61 1HB SER 61 5.148 11.074 2.760 466 HG SER 61 HG SER 61 5.073 11.183 0.627 467 H ASN 62 H ASN 62 2.301 11.074 0.166 468 HA ASN 62 HA ASN 62 -0.003 12.930 0.632 469 HB2 ASN 62 2HB ASN 62 2.093 12.859 -1.560 470 HB3 ASN 62 1HB ASN 62 0.597 13.786 -1.699 471 HD21 ASN 62 1HD2 ASN 62 3.185 15.061 -1.652 472 HD22 ASN 62 2HD2 ASN 62 3.294 15.973 -0.226 473 H ARG 63 H ARG 63 1.468 10.591 -1.630 474 HA ARG 63 HA ARG 63 -1.106 9.150 -1.878 475 HB2 ARG 63 2HB ARG 63 0.104 10.967 -3.912 476 HB3 ARG 63 1HB ARG 63 -0.626 9.475 -4.499 477 HG2 ARG 63 2HG ARG 63 -2.617 10.518 -4.396 478 HG3 ARG 63 1HG ARG 63 -2.477 10.451 -2.640 479 HD2 ARG 63 2HD ARG 63 -1.329 12.629 -2.633 480 HD3 ARG 63 1HD ARG 63 -1.458 12.709 -4.403 481 HE ARG 63 HE ARG 63 -3.659 13.065 -2.501 482 HH11 ARG 63 1HH1 ARG 63 -2.833 12.010 -5.717 483 HH12 ARG 63 2HH1 ARG 63 -4.363 12.486 -6.374 484 HH21 ARG 63 1HH2 ARG 63 -5.591 13.734 -3.396 485 HH22 ARG 63 2HH2 ARG 63 -5.909 13.451 -5.076 486 H CYS 64 H CYS 64 -0.804 7.007 -2.727 487 HA CYS 64 HA CYS 64 1.992 6.045 -2.770 488 HB2 CYS 64 2HB CYS 64 -0.101 4.943 -1.668 489 HB3 CYS 64 1HB CYS 64 -0.503 4.427 -3.307 490 HG CYS 64 HG CYS 64 1.104 2.584 -2.935 491 HA PRO 65 HA PRO 65 1.795 6.882 -7.184 492 HB2 PRO 65 2HB PRO 65 4.310 6.009 -7.811 493 HB3 PRO 65 1HB PRO 65 3.980 7.598 -7.092 494 HG2 PRO 65 2HG PRO 65 4.901 5.081 -5.781 495 HG3 PRO 65 1HG PRO 65 5.434 6.751 -5.516 496 HD2 PRO 65 2HD PRO 65 3.722 5.495 -3.844 497 HD3 PRO 65 1HD PRO 65 3.639 7.246 -4.149 498 H ILE 66 H ILE 66 2.878 3.752 -5.852 499 HA ILE 66 HA ILE 66 2.594 2.325 -8.359 500 HB ILE 66 HB ILE 66 2.572 1.321 -5.511 501 HG12 ILE 66 2HG1 ILE 66 4.562 2.707 -5.980 502 HG13 ILE 66 1HG1 ILE 66 5.013 1.009 -5.846 503 HG21 ILE 66 1HG2 ILE 66 2.019 -0.575 -6.679 504 HG22 ILE 66 2HG2 ILE 66 3.763 -0.621 -6.945 505 HG23 ILE 66 3HG2 ILE 66 2.697 0.033 -8.189 506 HD11 ILE 66 3HD1 ILE 66 6.146 1.911 -7.778 507 HD12 ILE 66 1HD1 ILE 66 4.649 2.610 -8.393 508 HD13 ILE 66 2HD1 ILE 66 4.858 0.859 -8.367 509 H CYS 67 H CYS 67 0.433 2.652 -5.517 510 HA CYS 67 HA CYS 67 -1.631 0.950 -6.600 511 HB2 CYS 67 2HB CYS 67 -1.644 3.217 -4.577 512 HB3 CYS 67 1HB CYS 67 -3.021 2.155 -4.867 513 HG CYS 67 HG CYS 67 -1.896 0.322 -3.610 514 H LYS 68 H LYS 68 -0.580 4.142 -7.420 515 HA LYS 68 HA LYS 68 -1.447 5.771 -8.880 516 HB2 LYS 68 2HB LYS 68 -2.878 3.266 -9.830 517 HB3 LYS 68 1HB LYS 68 -2.752 4.762 -10.756 518 HG2 LYS 68 2HG LYS 68 -0.370 3.187 -9.752 519 HG3 LYS 68 1HG LYS 68 -1.025 3.050 -11.382 520 HD2 LYS 68 2HD LYS 68 -0.624 5.465 -11.735 521 HD3 LYS 68 1HD LYS 68 0.051 5.587 -10.111 522 HE2 LYS 68 2HE LYS 68 1.835 3.999 -10.703 523 HE3 LYS 68 1HE LYS 68 1.154 3.835 -12.334 524 HZ1 LYS 68 3HZ LYS 68 1.944 6.423 -11.112 525 HZ2 LYS 68 1HZ LYS 68 1.441 6.162 -12.710 526 HZ3 LYS 68 2HZ LYS 68 2.930 5.541 -12.178 527 H MET 69 H MET 69 -2.950 5.068 -6.313 528 HA MET 69 HA MET 69 -5.549 6.319 -7.131 529 HB2 MET 69 2HB MET 69 -4.936 3.847 -5.585 530 HB3 MET 69 1HB MET 69 -6.313 4.813 -5.049 531 HG2 MET 69 2HG MET 69 -7.370 4.662 -7.193 532 HG3 MET 69 1HG MET 69 -5.917 3.989 -7.932 533 HE1 MET 69 3HE MET 69 -8.861 2.902 -8.126 534 HE2 MET 69 1HE MET 69 -9.260 3.332 -6.458 535 HE3 MET 69 2HE MET 69 -9.342 1.652 -6.982 536 HA PRO 70 HA PRO 70 -4.734 9.166 -3.900 537 HB2 PRO 70 2HB PRO 70 -7.261 9.969 -3.261 538 HB3 PRO 70 1HB PRO 70 -6.457 10.428 -4.773 539 HG2 PRO 70 2HG PRO 70 -8.558 8.396 -4.292 540 HG3 PRO 70 1HG PRO 70 -8.282 9.430 -5.701 541 HD2 PRO 70 2HD PRO 70 -7.594 6.753 -5.521 542 HD3 PRO 70 1HD PRO 70 -6.919 7.910 -6.686 543 H LEU 71 H LEU 71 -4.594 9.252 -1.639 544 HA LEU 71 HA LEU 71 -6.111 7.169 -0.101 545 HB2 LEU 71 2HB LEU 71 -3.210 7.851 -0.297 546 HB3 LEU 71 1HB LEU 71 -3.823 7.373 1.289 547 HG LEU 71 HG LEU 71 -4.866 5.359 0.172 548 HD11 LEU 71 1HD1 LEU 71 -3.326 4.971 -2.058 549 HD12 LEU 71 2HD1 LEU 71 -3.631 6.708 -2.150 550 HD13 LEU 71 3HD1 LEU 71 -4.981 5.575 -2.089 551 HD21 LEU 71 3HD2 LEU 71 -2.671 5.346 1.411 552 HD22 LEU 71 1HD2 LEU 71 -1.856 5.561 -0.138 553 HD23 LEU 71 2HD2 LEU 71 -2.797 4.101 0.168 554 HA PRO 72 HA PRO 72 -6.968 11.286 1.725 555 HB2 PRO 72 2HB PRO 72 -9.403 10.595 2.772 556 HB3 PRO 72 1HB PRO 72 -9.186 11.126 1.092 557 HG2 PRO 72 2HG PRO 72 -9.429 8.358 2.183 558 HG3 PRO 72 1HG PRO 72 -10.169 9.065 0.735 559 HD2 PRO 72 2HD PRO 72 -7.991 7.478 0.607 560 HD3 PRO 72 1HD PRO 72 -8.249 8.827 -0.525 561 H THR 73 H THR 73 -6.820 11.913 3.917 562 HA THR 73 HA THR 73 -6.261 9.696 5.860 563 HB THR 73 HB THR 73 -4.328 11.082 5.249 564 HG1 THR 73 1HG THR 73 -3.766 11.072 7.258 565 HG21 THR 73 3HG2 THR 73 -4.912 13.582 6.398 566 HG22 THR 73 1HG2 THR 73 -6.306 13.200 5.386 567 HG23 THR 73 2HG2 THR 73 -4.687 13.232 4.686 568 H LYS 74 H LYS 74 -8.209 12.511 5.208 569 HA LYS 74 HA LYS 74 -9.098 12.744 8.030 570 HB2 LYS 74 2HB LYS 74 -9.647 14.279 5.471 571 HB3 LYS 74 1HB LYS 74 -10.349 14.701 7.034 572 HG2 LYS 74 2HG LYS 74 -8.113 15.006 7.988 573 HG3 LYS 74 1HG LYS 74 -7.377 14.515 6.462 574 HD2 LYS 74 2HD LYS 74 -7.342 16.895 6.433 575 HD3 LYS 74 1HD LYS 74 -8.687 16.439 5.386 576 HE2 LYS 74 2HE LYS 74 -10.299 16.900 7.129 577 HE3 LYS 74 1HE LYS 74 -9.010 17.129 8.327 578 HZ1 LYS 74 3HZ LYS 74 -9.276 18.721 5.834 579 HZ2 LYS 74 1HZ LYS 74 -8.162 18.975 7.086 580 HZ3 LYS 74 2HZ LYS 74 -9.818 19.242 7.356 581 H LEU 75 H LEU 75 -11.239 12.296 8.652 582 HA LEU 75 HA LEU 75 -12.862 10.719 6.686 583 HB2 LEU 75 2HB LEU 75 -12.678 10.655 9.714 584 HB3 LEU 75 1HB LEU 75 -13.743 9.630 8.751 585 HG LEU 75 HG LEU 75 -11.405 9.136 7.497 586 HD11 LEU 75 1HD1 LEU 75 -10.492 10.682 9.532 587 HD12 LEU 75 2HD1 LEU 75 -9.538 9.399 8.793 588 HD13 LEU 75 3HD1 LEU 75 -10.411 9.095 10.295 589 HD21 LEU 75 3HD2 LEU 75 -11.539 7.027 8.481 590 HD22 LEU 75 1HD2 LEU 75 -13.153 7.655 8.817 591 HD23 LEU 75 2HD2 LEU 75 -11.917 7.684 10.075 592 H ARG 76 H ARG 76 -14.920 11.438 6.267 593 HA ARG 76 HA ARG 76 -16.802 12.858 6.282 594 HB2 ARG 76 2HB ARG 76 -16.375 11.712 8.797 595 HB3 ARG 76 1HB ARG 76 -16.645 13.419 9.156 596 HG2 ARG 76 2HG ARG 76 -18.459 11.929 7.262 597 HG3 ARG 76 1HG ARG 76 -18.726 11.875 9.005 598 HD2 ARG 76 2HD ARG 76 -18.260 14.579 7.840 599 HD3 ARG 76 1HD ARG 76 -19.813 13.809 7.457 600 HE ARG 76 HE ARG 76 -19.029 13.611 10.280 601 HH11 ARG 76 1HH1 ARG 76 -20.347 15.841 7.986 602 HH12 ARG 76 2HH1 ARG 76 -21.551 16.435 9.079 603 HH21 ARG 76 1HH2 ARG 76 -20.744 14.240 11.624 604 HH22 ARG 76 2HH2 ARG 76 -21.773 15.539 11.123 605 HA PRO 77 HA PRO 77 -14.184 16.638 6.448 606 HB2 PRO 77 2HB PRO 77 -15.010 17.651 4.045 607 HB3 PRO 77 1HB PRO 77 -13.697 16.466 4.193 608 HG2 PRO 77 2HG PRO 77 -16.531 16.061 3.394 609 HG3 PRO 77 1HG PRO 77 -15.061 15.288 2.782 610 HD2 PRO 77 2HD PRO 77 -16.786 14.109 4.553 611 HD3 PRO 77 1HD PRO 77 -15.063 13.696 4.421 612 H SER 78 H SER 78 -14.887 18.874 6.722 613 HA SER 78 HA SER 78 -17.419 19.212 7.996 614 HB2 SER 78 2HB SER 78 -16.783 21.575 7.981 615 HB3 SER 78 1HB SER 78 -15.348 20.598 8.277 616 HG SER 78 HG SER 78 -14.830 20.811 6.079 617 H ALA 79 H ALA 79 -19.410 19.880 7.201 618 HA ALA 79 HA ALA 79 -19.615 20.308 4.235 619 HB1 ALA 79 1HB ALA 79 -21.747 19.290 6.130 620 HB2 ALA 79 2HB ALA 79 -20.588 18.215 5.348 621 HB3 ALA 79 3HB ALA 79 -21.715 19.157 4.372 622 H ALA 80 H ALA 80 -20.543 21.459 7.428 623 HA ALA 80 HA ALA 80 -21.550 23.466 8.133 624 HB1 ALA 80 1HB ALA 80 -20.695 25.284 7.023 625 HB2 ALA 80 2HB ALA 80 -21.222 24.692 5.447 626 HB3 ALA 80 3HB ALA 80 -19.751 24.053 6.180 627 HA PRO 81 HA PRO 81 -25.700 23.426 6.692 628 HB2 PRO 81 2HB PRO 81 -26.554 25.983 7.149 629 HB3 PRO 81 1HB PRO 81 -26.250 24.823 8.457 630 HG2 PRO 81 2HG PRO 81 -24.561 27.066 7.486 631 HG3 PRO 81 1HG PRO 81 -24.821 26.479 9.135 632 HD2 PRO 81 2HD PRO 81 -22.593 25.918 7.640 633 HD3 PRO 81 1HD PRO 81 -23.188 24.893 8.965 634 H THR 82 H THR 82 -27.111 24.158 4.934 635 HA THR 82 HA THR 82 -25.777 24.811 2.486 636 HB THR 82 HB THR 82 -28.688 25.070 3.325 637 HG1 THR 82 1HG THR 82 -27.308 22.968 2.022 638 HG21 THR 82 3HG2 THR 82 -27.510 25.966 0.971 639 HG22 THR 82 1HG2 THR 82 -29.218 25.582 1.191 640 HG23 THR 82 2HG2 THR 82 -28.118 24.366 0.545 641 H ALA 83 H ALA 83 -27.757 26.820 4.689 642 HA ALA 83 HA ALA 83 -27.068 29.247 3.125 643 HB1 ALA 83 1HB ALA 83 -29.352 28.419 4.276 644 HB2 ALA 83 2HB ALA 83 -28.963 30.130 4.097 645 HB3 ALA 83 3HB ALA 83 -28.674 29.317 5.635 646 HA PRO 84 HA PRO 84 -24.037 30.664 5.977 647 HB2 PRO 84 2HB PRO 84 -24.524 33.348 6.128 648 HB3 PRO 84 1HB PRO 84 -23.821 32.573 4.695 649 HG2 PRO 84 2HG PRO 84 -26.611 33.476 5.179 650 HG3 PRO 84 1HG PRO 84 -25.647 33.531 3.696 651 HD2 PRO 84 2HD PRO 84 -27.588 31.663 4.203 652 HD3 PRO 84 1HD PRO 84 -26.219 31.406 3.097 653 HA PRO 85 HA PRO 85 -25.913 30.736 9.982 654 HB2 PRO 85 2HB PRO 85 -23.842 31.723 11.479 655 HB3 PRO 85 1HB PRO 85 -23.882 30.061 10.856 656 HG2 PRO 85 2HG PRO 85 -22.440 32.444 9.802 657 HG3 PRO 85 1HG PRO 85 -21.903 30.760 9.917 658 HD2 PRO 85 2HD PRO 85 -22.776 31.879 7.601 659 HD3 PRO 85 1HD PRO 85 -22.964 30.150 7.971 660 H THR 86 H THR 86 -24.364 33.627 8.704 661 HA THR 86 HA THR 86 -26.371 35.305 10.163 662 HB THR 86 HB THR 86 -24.542 36.900 10.646 663 HG1 THR 86 1HG THR 86 -23.059 36.620 9.123 664 HG21 THR 86 3HG2 THR 86 -23.837 35.771 12.508 665 HG22 THR 86 1HG2 THR 86 -23.350 34.348 11.586 666 HG23 THR 86 2HG2 THR 86 -25.050 34.605 11.981 667 H GLY 87 H GLY 87 -26.744 37.396 9.074 668 HA2 GLY 87 2HA GLY 87 -26.118 37.261 6.152 669 HA3 GLY 87 1HA GLY 87 -27.578 37.998 6.814 670 H ALA 88 H ALA 88 -25.742 39.357 5.089 671 HA ALA 88 HA ALA 88 -23.931 41.053 6.580 672 HB1 ALA 88 1HB ALA 88 -23.811 42.262 4.454 673 HB2 ALA 88 2HB ALA 88 -25.295 41.486 3.902 674 HB3 ALA 88 3HB ALA 88 -23.834 40.527 4.133 675 H ALA 89 H ALA 89 -24.269 43.234 7.252 676 HA ALA 89 HA ALA 89 -26.824 43.898 8.340 677 HB1 ALA 89 1HB ALA 89 -25.737 45.925 8.969 678 HB2 ALA 89 2HB ALA 89 -24.662 45.871 7.572 679 HB3 ALA 89 3HB ALA 89 -24.441 44.730 8.898 680 H ASP 90 H ASP 90 -25.240 44.889 5.302 681 HA ASP 90 HA ASP 90 -26.097 46.002 3.401 682 HB2 ASP 90 2HB ASP 90 -28.479 44.502 4.530 683 HB3 ASP 90 1HB ASP 90 -28.529 45.324 2.971 684 H SER 91 H SER 91 -25.991 47.573 5.850 685 HA SER 91 HA SER 91 -28.394 49.034 6.381 686 HB2 SER 91 2HB SER 91 -25.433 49.580 6.637 687 HB3 SER 91 1HB SER 91 -26.625 50.775 7.142 688 HG SER 91 HG SER 91 -26.850 49.639 8.884 689 H ILE 92 H ILE 92 -29.361 50.711 5.273 690 HA ILE 92 HA ILE 92 -28.662 51.273 2.547 691 HB ILE 92 HB ILE 92 -30.403 52.701 4.590 692 HG12 ILE 92 2HG1 ILE 92 -31.071 50.381 4.089 693 HG13 ILE 92 1HG1 ILE 92 -32.238 51.520 3.420 694 HG21 ILE 92 1HG2 ILE 92 -29.948 54.304 2.860 695 HG22 ILE 92 2HG2 ILE 92 -31.543 53.637 2.516 696 HG23 ILE 92 3HG2 ILE 92 -30.141 53.091 1.595 697 HD11 ILE 92 3HD1 ILE 92 -30.577 49.570 2.043 698 HD12 ILE 92 1HD1 ILE 92 -30.337 51.190 1.386 699 HD13 ILE 92 2HD1 ILE 92 -31.955 50.487 1.436 700 H ARG 93 H ARG 93 -28.144 53.103 5.573 701 HA ARG 93 HA ARG 93 -26.702 54.913 6.052 702 HB2 ARG 93 2HB ARG 93 -25.212 52.991 5.120 703 HB3 ARG 93 1HB ARG 93 -25.119 53.971 3.656 704 HG2 ARG 93 2HG ARG 93 -23.285 54.792 4.816 705 HG3 ARG 93 1HG ARG 93 -24.539 55.897 5.384 706 HD2 ARG 93 2HD ARG 93 -24.159 53.334 6.887 707 HD3 ARG 93 1HD ARG 93 -22.976 54.634 7.132 708 HE ARG 93 HE ARG 93 -25.834 54.751 7.847 709 HH11 ARG 93 1HH1 ARG 93 -23.022 55.784 9.009 710 HH12 ARG 93 2HH1 ARG 93 -23.396 57.473 9.097 711 HH21 ARG 93 1HH2 ARG 93 -26.274 57.206 7.181 712 HH22 ARG 93 2HH2 ARG 93 -25.238 58.278 8.061 713 HA PRO 94 HA PRO 94 -28.453 57.092 2.248 714 HB2 PRO 94 2HB PRO 94 -30.472 58.461 3.485 715 HB3 PRO 94 1HB PRO 94 -30.686 56.842 2.788 716 HG2 PRO 94 2HG PRO 94 -30.277 57.642 5.626 717 HG3 PRO 94 1HG PRO 94 -31.333 56.394 4.946 718 HD2 PRO 94 2HD PRO 94 -28.938 55.847 6.122 719 HD3 PRO 94 1HD PRO 94 -29.651 54.840 4.843 720 HA PRO 95 HA PRO 95 -26.404 60.813 3.376 721 HB2 PRO 95 2HB PRO 95 -27.696 62.729 1.915 722 HB3 PRO 95 1HB PRO 95 -26.607 61.530 1.187 723 HG2 PRO 95 2HG PRO 95 -29.578 61.592 1.259 724 HG3 PRO 95 1HG PRO 95 -28.489 61.060 -0.033 725 HD2 PRO 95 2HD PRO 95 -29.818 59.355 1.651 726 HD3 PRO 95 1HD PRO 95 -28.296 58.955 0.826 727 HA PRO 96 HA PRO 96 -28.640 62.944 6.529 728 HB2 PRO 96 2HB PRO 96 -27.533 65.444 6.502 729 HB3 PRO 96 1HB PRO 96 -26.666 64.020 7.111 730 HG2 PRO 96 2HG PRO 96 -26.437 65.395 4.481 731 HG3 PRO 96 1HG PRO 96 -25.171 64.692 5.500 732 HD2 PRO 96 2HD PRO 96 -26.182 63.457 3.289 733 HD3 PRO 96 1HD PRO 96 -25.503 62.578 4.677 734 H TYR 97 H TYR 97 -30.364 64.526 6.835 735 HA TYR 97 HA TYR 97 -32.250 65.749 6.100 736 HB2 TYR 97 2HB TYR 97 -30.024 67.143 5.612 737 HB3 TYR 97 1HB TYR 97 -30.530 66.914 3.939 738 HD1 TYR 97 1HD TYR 97 -31.621 68.210 7.254 739 HD2 TYR 97 2HD TYR 97 -32.369 68.119 3.025 740 HE1 TYR 97 1HE TYR 97 -33.287 70.030 7.509 741 HE2 TYR 97 2HE TYR 97 -34.035 69.937 3.280 742 HH TYR 97 HH TYR 97 -35.417 70.780 6.090 743 H SER 98 H SER 98 -33.024 63.563 5.226 744 HA SER 98 HA SER 98 -32.756 62.856 2.451 745 HB2 SER 98 2HB SER 98 -34.294 62.081 4.829 746 HB3 SER 98 1HB SER 98 -35.201 61.866 3.336 747 HG SER 98 HG SER 98 -33.971 60.026 3.761 748 HA PRO 99 HA PRO 99 -36.914 65.095 1.776 749 HB2 PRO 99 2HB PRO 99 -38.005 66.569 3.796 750 HB3 PRO 99 1HB PRO 99 -38.324 64.836 3.594 751 HG2 PRO 99 2HG PRO 99 -36.501 66.215 5.487 752 HG3 PRO 99 1HG PRO 99 -37.494 64.771 5.727 753 HD2 PRO 99 2HD PRO 99 -34.785 64.734 5.255 754 HD3 PRO 99 1HD PRO 99 -35.880 63.379 4.911 Start of MODEL 7 1 H1 MET 1 1HT MET 1 -16.483 -50.130 -33.477 2 H2 MET 1 2HT MET 1 -16.362 -49.672 -31.844 3 H3 MET 1 3HT MET 1 -15.065 -50.461 -32.607 4 HA MET 1 HA MET 1 -14.936 -48.502 -34.172 5 HB2 MET 1 2HB MET 1 -16.890 -47.568 -32.049 6 HB3 MET 1 1HB MET 1 -16.082 -46.471 -33.171 7 HG2 MET 1 2HG MET 1 -17.036 -47.744 -35.076 8 HG3 MET 1 1HG MET 1 -17.886 -48.786 -33.935 9 HE1 MET 1 2HE MET 1 -18.890 -47.235 -31.693 10 HE2 MET 1 3HE MET 1 -19.960 -48.238 -32.671 11 HE3 MET 1 1HE MET 1 -20.445 -46.596 -32.221 12 H GLY 2 H GLY 2 -15.190 -48.514 -30.599 13 HA2 GLY 2 2HA GLY 2 -13.087 -48.624 -29.280 14 HA3 GLY 2 1HA GLY 2 -12.346 -47.587 -30.500 15 H ASN 3 H ASN 3 -14.957 -47.618 -28.069 16 HA ASN 3 HA ASN 3 -15.127 -44.679 -28.043 17 HB2 ASN 3 2HB ASN 3 -16.387 -46.954 -26.489 18 HB3 ASN 3 1HB ASN 3 -16.757 -45.261 -26.160 19 HD21 ASN 3 1HD2 ASN 3 -18.734 -47.135 -27.149 20 HD22 ASN 3 2HD2 ASN 3 -19.193 -46.629 -28.702 21 H LYS 4 H LYS 4 -13.637 -43.502 -26.930 22 HA LYS 4 HA LYS 4 -12.723 -44.474 -24.263 23 HB2 LYS 4 2HB LYS 4 -10.392 -43.979 -24.922 24 HB3 LYS 4 1HB LYS 4 -11.101 -45.186 -25.993 25 HG2 LYS 4 2HG LYS 4 -11.599 -43.423 -27.653 26 HG3 LYS 4 1HG LYS 4 -10.880 -42.217 -26.585 27 HD2 LYS 4 2HD LYS 4 -8.731 -43.495 -26.667 28 HD3 LYS 4 1HD LYS 4 -9.462 -44.579 -27.851 29 HE2 LYS 4 2HE LYS 4 -9.274 -41.570 -28.233 30 HE3 LYS 4 1HE LYS 4 -8.109 -42.729 -28.906 31 HZ1 LYS 4 3HZ LYS 4 -9.787 -42.410 -30.539 32 HZ2 LYS 4 1HZ LYS 4 -11.033 -42.613 -29.407 33 HZ3 LYS 4 2HZ LYS 4 -10.064 -43.937 -29.850 34 H GLN 5 H GLN 5 -11.992 -42.737 -22.875 35 HA GLN 5 HA GLN 5 -13.346 -40.197 -23.296 36 HB2 GLN 5 2HB GLN 5 -11.335 -41.221 -21.266 37 HB3 GLN 5 1HB GLN 5 -12.157 -39.666 -21.130 38 HG2 GLN 5 2HG GLN 5 -14.336 -40.791 -21.113 39 HG3 GLN 5 1HG GLN 5 -13.547 -42.355 -21.317 40 HE21 GLN 5 1HE2 GLN 5 -14.907 -42.566 -19.125 41 HE22 GLN 5 2HE2 GLN 5 -14.042 -42.219 -17.708 42 H ALA 6 H ALA 6 -12.487 -38.310 -24.115 43 HA ALA 6 HA ALA 6 -9.585 -38.327 -24.881 44 HB1 ALA 6 1HB ALA 6 -11.174 -38.319 -26.748 45 HB2 ALA 6 2HB ALA 6 -10.363 -36.756 -26.664 46 HB3 ALA 6 3HB ALA 6 -12.010 -36.928 -26.057 47 H LYS 7 H LYS 7 -8.359 -36.458 -24.410 48 HA LYS 7 HA LYS 7 -9.605 -34.571 -22.448 49 HB2 LYS 7 2HB LYS 7 -6.741 -35.406 -23.018 50 HB3 LYS 7 1HB LYS 7 -7.210 -34.236 -21.783 51 HG2 LYS 7 2HG LYS 7 -8.605 -35.960 -20.687 52 HG3 LYS 7 1HG LYS 7 -8.106 -37.131 -21.908 53 HD2 LYS 7 2HD LYS 7 -6.151 -35.646 -20.134 54 HD3 LYS 7 1HD LYS 7 -6.792 -37.242 -19.746 55 HE2 LYS 7 2HE LYS 7 -5.928 -38.050 -21.983 56 HE3 LYS 7 1HE LYS 7 -5.113 -36.484 -22.159 57 HZ1 LYS 7 3HZ LYS 7 -3.612 -38.005 -21.097 58 HZ2 LYS 7 1HZ LYS 7 -4.773 -38.422 -19.933 59 HZ3 LYS 7 2HZ LYS 7 -4.111 -36.858 -19.947 60 H ALA 8 H ALA 8 -9.426 -32.331 -22.816 61 HA ALA 8 HA ALA 8 -7.903 -31.362 -25.174 62 HB1 ALA 8 1HB ALA 8 -9.971 -31.901 -26.203 63 HB2 ALA 8 2HB ALA 8 -10.108 -30.177 -25.862 64 HB3 ALA 8 3HB ALA 8 -10.902 -31.350 -24.812 65 HA PRO 9 HA PRO 9 -8.035 -28.486 -21.517 66 HB2 PRO 9 2HB PRO 9 -5.342 -28.029 -21.383 67 HB3 PRO 9 1HB PRO 9 -6.130 -29.390 -20.559 68 HG2 PRO 9 2HG PRO 9 -4.601 -29.353 -23.111 69 HG3 PRO 9 1HG PRO 9 -4.620 -30.568 -21.823 70 HD2 PRO 9 2HD PRO 9 -5.985 -30.838 -24.171 71 HD3 PRO 9 1HD PRO 9 -6.486 -31.603 -22.648 72 H GLU 10 H GLU 10 -7.679 -26.161 -21.617 73 HA GLU 10 HA GLU 10 -7.143 -25.166 -24.393 74 HB2 GLU 10 2HB GLU 10 -8.736 -24.066 -22.054 75 HB3 GLU 10 1HB GLU 10 -8.511 -23.213 -23.581 76 HG2 GLU 10 2HG GLU 10 -10.501 -24.279 -24.052 77 HG3 GLU 10 1HG GLU 10 -9.379 -25.532 -24.580 78 H SER 11 H SER 11 -5.197 -24.160 -24.627 79 HA SER 11 HA SER 11 -3.392 -23.545 -22.503 80 HB2 SER 11 2HB SER 11 -3.627 -22.449 -25.325 81 HB3 SER 11 1HB SER 11 -2.196 -22.307 -24.308 82 HG SER 11 HG SER 11 -2.466 -24.177 -25.886 83 H LYS 12 H LYS 12 -5.663 -21.455 -24.307 84 HA LYS 12 HA LYS 12 -6.421 -19.257 -23.871 85 HB2 LYS 12 2HB LYS 12 -5.943 -20.383 -21.092 86 HB3 LYS 12 1HB LYS 12 -6.876 -18.922 -21.418 87 HG2 LYS 12 2HG LYS 12 -7.514 -21.637 -22.610 88 HG3 LYS 12 1HG LYS 12 -8.293 -20.986 -21.168 89 HD2 LYS 12 2HD LYS 12 -9.070 -19.033 -22.478 90 HD3 LYS 12 1HD LYS 12 -8.318 -19.710 -23.921 91 HE2 LYS 12 2HE LYS 12 -9.776 -21.691 -23.781 92 HE3 LYS 12 1HE LYS 12 -10.530 -21.034 -22.313 93 HZ1 LYS 12 3HZ LYS 12 -11.260 -19.124 -23.500 94 HZ2 LYS 12 1HZ LYS 12 -11.729 -20.474 -24.413 95 HZ3 LYS 12 2HZ LYS 12 -10.377 -19.560 -24.885 96 H ASP 13 H ASP 13 -3.519 -19.600 -24.284 97 HA ASP 13 HA ASP 13 -1.971 -18.062 -22.423 98 HB2 ASP 13 2HB ASP 13 -0.377 -17.963 -24.339 99 HB3 ASP 13 1HB ASP 13 -1.032 -19.584 -24.113 100 H SER 14 H SER 14 -3.856 -17.148 -25.291 101 HA SER 14 HA SER 14 -3.656 -14.288 -24.438 102 HB2 SER 14 2HB SER 14 -3.399 -13.824 -26.958 103 HB3 SER 14 1HB SER 14 -2.001 -14.519 -26.145 104 HG SER 14 HG SER 14 -2.250 -16.294 -27.256 105 HA PRO 15 HA PRO 15 -7.977 -15.635 -25.438 106 HB2 PRO 15 2HB PRO 15 -9.173 -14.437 -23.290 107 HB3 PRO 15 1HB PRO 15 -8.472 -16.066 -23.222 108 HG2 PRO 15 2HG PRO 15 -7.352 -13.483 -22.262 109 HG3 PRO 15 1HG PRO 15 -7.262 -15.095 -21.534 110 HD2 PRO 15 2HD PRO 15 -5.216 -13.946 -22.932 111 HD3 PRO 15 1HD PRO 15 -5.450 -15.702 -22.785 112 H ARG 16 H ARG 16 -9.713 -14.283 -26.228 113 HA ARG 16 HA ARG 16 -8.925 -11.424 -26.658 114 HB2 ARG 16 2HB ARG 16 -10.730 -13.317 -28.197 115 HB3 ARG 16 1HB ARG 16 -10.389 -11.651 -28.663 116 HG2 ARG 16 2HG ARG 16 -8.247 -13.761 -28.282 117 HG3 ARG 16 1HG ARG 16 -8.958 -13.357 -29.845 118 HD2 ARG 16 2HD ARG 16 -8.178 -11.041 -29.644 119 HD3 ARG 16 1HD ARG 16 -7.527 -11.381 -28.030 120 HE ARG 16 HE ARG 16 -5.823 -12.748 -29.030 121 HH11 ARG 16 1HH1 ARG 16 -6.988 -10.486 -31.134 122 HH12 ARG 16 2HH1 ARG 16 -6.547 -11.315 -32.589 123 HH21 ARG 16 1HH2 ARG 16 -5.726 -14.270 -30.972 124 HH22 ARG 16 2HH2 ARG 16 -5.832 -13.457 -32.497 125 H ALA 17 H ALA 17 -10.662 -12.926 -24.458 126 HA ALA 17 HA ALA 17 -12.998 -11.047 -24.581 127 HB1 ALA 17 1HB ALA 17 -13.939 -13.171 -24.843 128 HB2 ALA 17 2HB ALA 17 -13.950 -13.007 -23.085 129 HB3 ALA 17 3HB ALA 17 -12.683 -13.945 -23.876 130 H SER 18 H SER 18 -13.766 -10.407 -22.420 131 HA SER 18 HA SER 18 -13.396 -9.523 -20.275 132 HB2 SER 18 2HB SER 18 -13.055 -12.122 -20.013 133 HB3 SER 18 1HB SER 18 -11.354 -11.698 -19.843 134 HG SER 18 HG SER 18 -11.777 -11.020 -17.900 135 H LEU 19 H LEU 19 -12.340 -7.679 -20.152 136 HA LEU 19 HA LEU 19 -9.815 -7.295 -21.517 137 HB2 LEU 19 2HB LEU 19 -11.799 -5.668 -19.971 138 HB3 LEU 19 1HB LEU 19 -10.256 -4.934 -20.390 139 HG LEU 19 HG LEU 19 -11.247 -6.359 -22.710 140 HD11 LEU 19 1HD1 LEU 19 -13.377 -5.442 -21.120 141 HD12 LEU 19 2HD1 LEU 19 -13.435 -6.007 -22.784 142 HD13 LEU 19 3HD1 LEU 19 -13.230 -4.284 -22.443 143 HD21 LEU 19 3HD2 LEU 19 -9.999 -3.942 -22.099 144 HD22 LEU 19 1HD2 LEU 19 -11.542 -3.461 -22.808 145 HD23 LEU 19 2HD2 LEU 19 -10.447 -4.521 -23.696 146 H ILE 20 H ILE 20 -10.682 -7.910 -18.147 147 HA ILE 20 HA ILE 20 -7.740 -7.822 -17.535 148 HB ILE 20 HB ILE 20 -10.088 -7.168 -15.718 149 HG12 ILE 20 2HG1 ILE 20 -9.499 -5.368 -17.293 150 HG13 ILE 20 1HG1 ILE 20 -9.008 -4.920 -15.661 151 HG21 ILE 20 1HG2 ILE 20 -8.364 -6.688 -14.010 152 HG22 ILE 20 2HG2 ILE 20 -7.107 -7.225 -15.124 153 HG23 ILE 20 3HG2 ILE 20 -8.291 -8.378 -14.508 154 HD11 ILE 20 3HD1 ILE 20 -6.693 -5.841 -16.251 155 HD12 ILE 20 1HD1 ILE 20 -7.162 -4.360 -17.086 156 HD13 ILE 20 2HD1 ILE 20 -7.250 -5.911 -17.922 157 HA PRO 21 HA PRO 21 -9.503 -12.080 -17.349 158 HB2 PRO 21 2HB PRO 21 -7.331 -13.289 -18.507 159 HB3 PRO 21 1HB PRO 21 -8.664 -12.584 -19.444 160 HG2 PRO 21 2HG PRO 21 -5.983 -11.442 -18.824 161 HG3 PRO 21 1HG PRO 21 -6.910 -11.395 -20.334 162 HD2 PRO 21 2HD PRO 21 -6.783 -9.302 -18.624 163 HD3 PRO 21 1HD PRO 21 -8.202 -9.623 -19.642 164 H ASP 22 H ASP 22 -6.600 -10.524 -16.268 165 HA ASP 22 HA ASP 22 -5.428 -12.623 -14.714 166 HB2 ASP 22 2HB ASP 22 -5.451 -9.602 -14.664 167 HB3 ASP 22 1HB ASP 22 -4.545 -10.515 -13.459 168 H ALA 23 H ALA 23 -5.922 -13.338 -12.655 169 HA ALA 23 HA ALA 23 -8.328 -12.140 -11.329 170 HB1 ALA 23 1HB ALA 23 -8.154 -14.583 -12.285 171 HB2 ALA 23 2HB ALA 23 -8.890 -14.332 -10.702 172 HB3 ALA 23 3HB ALA 23 -7.222 -14.892 -10.821 173 H THR 24 H THR 24 -5.609 -11.114 -10.976 174 HA THR 24 HA THR 24 -5.127 -11.878 -8.112 175 HB THR 24 HB THR 24 -3.180 -10.893 -10.225 176 HG1 THR 24 1HG THR 24 -3.311 -12.907 -10.795 177 HG21 THR 24 3HG2 THR 24 -1.507 -11.714 -8.494 178 HG22 THR 24 1HG2 THR 24 -2.856 -11.812 -7.361 179 HG23 THR 24 2HG2 THR 24 -2.395 -10.255 -8.052 180 H HIS 25 H HIS 25 -5.437 -10.220 -6.703 181 HA HIS 25 HA HIS 25 -5.233 -7.404 -7.721 182 HB2 HIS 25 2HB HIS 25 -7.175 -6.922 -6.243 183 HB3 HIS 25 1HB HIS 25 -7.571 -8.139 -7.456 184 HD2 HIS 25 2HD HIS 25 -7.444 -7.797 -3.599 185 HE1 HIS 25 1HE HIS 25 -8.107 -11.883 -4.442 186 HE2 HIS 25 2HE HIS 25 -8.054 -10.131 -2.609 187 H LEU 26 H LEU 26 -3.519 -9.422 -5.943 188 HA LEU 26 HA LEU 26 -3.166 -7.551 -3.632 189 HB2 LEU 26 2HB LEU 26 -3.921 -10.090 -3.485 190 HB3 LEU 26 1HB LEU 26 -2.198 -10.394 -3.685 191 HG LEU 26 HG LEU 26 -2.794 -10.285 -1.295 192 HD11 LEU 26 1HD1 LEU 26 -1.345 -7.711 -1.775 193 HD12 LEU 26 2HD1 LEU 26 -0.634 -9.200 -2.394 194 HD13 LEU 26 3HD1 LEU 26 -0.954 -9.028 -0.668 195 HD21 LEU 26 3HD2 LEU 26 -4.691 -8.552 -1.869 196 HD22 LEU 26 1HD2 LEU 26 -3.415 -7.363 -1.606 197 HD23 LEU 26 2HD2 LEU 26 -3.876 -8.463 -0.307 198 H GLY 27 H GLY 27 -1.261 -9.921 -5.551 199 HA2 GLY 27 2HA GLY 27 0.684 -8.943 -6.840 200 HA3 GLY 27 1HA GLY 27 1.020 -7.992 -5.394 201 HA PRO 28 HA PRO 28 3.013 -12.332 -5.253 202 HB2 PRO 28 2HB PRO 28 5.501 -11.789 -6.256 203 HB3 PRO 28 1HB PRO 28 4.163 -12.369 -7.270 204 HG2 PRO 28 2HG PRO 28 5.207 -9.602 -6.915 205 HG3 PRO 28 1HG PRO 28 4.651 -10.419 -8.385 206 HD2 PRO 28 2HD PRO 28 3.128 -8.632 -7.020 207 HD3 PRO 28 1HD PRO 28 2.443 -9.977 -7.958 208 H GLN 29 H GLN 29 4.905 -12.796 -3.768 209 HA GLN 29 HA GLN 29 5.203 -10.628 -1.775 210 HB2 GLN 29 2HB GLN 29 4.621 -13.042 -1.271 211 HB3 GLN 29 1HB GLN 29 6.260 -13.467 -1.768 212 HG2 GLN 29 2HG GLN 29 7.205 -12.057 -0.016 213 HG3 GLN 29 1HG GLN 29 5.601 -11.483 0.430 214 HE21 GLN 29 1HE2 GLN 29 7.366 -12.871 2.271 215 HE22 GLN 29 2HE2 GLN 29 6.624 -14.343 2.679 216 H PHE 30 H PHE 30 6.543 -9.995 -4.151 217 HA PHE 30 HA PHE 30 9.387 -10.072 -3.258 218 HB2 PHE 30 2HB PHE 30 8.223 -10.771 -5.974 219 HB3 PHE 30 1HB PHE 30 9.939 -10.451 -5.716 220 HD1 PHE 30 2HD PHE 30 11.328 -11.974 -4.407 221 HD2 PHE 30 1HD PHE 30 7.158 -12.768 -5.059 222 HE1 PHE 30 2HE PHE 30 11.651 -14.304 -3.626 223 HE2 PHE 30 1HE PHE 30 7.480 -15.099 -4.278 224 HZ PHE 30 HZ PHE 30 9.726 -15.868 -3.561 225 H CYS 31 H CYS 31 10.055 -7.937 -3.164 226 HA CYS 31 HA CYS 31 8.426 -5.795 -4.247 227 HB2 CYS 31 2HB CYS 31 9.982 -5.796 -2.205 228 HB3 CYS 31 1HB CYS 31 11.315 -5.641 -3.353 229 HG CYS 31 HG CYS 31 10.571 -3.216 -2.729 230 H LYS 32 H LYS 32 8.376 -5.264 -6.361 231 HA LYS 32 HA LYS 32 10.684 -5.951 -8.112 232 HB2 LYS 32 2HB LYS 32 8.351 -6.689 -8.625 233 HB3 LYS 32 1HB LYS 32 7.870 -4.996 -8.736 234 HG2 LYS 32 2HG LYS 32 9.459 -4.642 -10.572 235 HG3 LYS 32 1HG LYS 32 10.002 -6.315 -10.443 236 HD2 LYS 32 2HD LYS 32 7.719 -7.096 -10.982 237 HD3 LYS 32 1HD LYS 32 7.186 -5.421 -11.131 238 HE2 LYS 32 2HE LYS 32 8.784 -5.061 -12.980 239 HE3 LYS 32 1HE LYS 32 9.335 -6.741 -12.830 240 HZ1 LYS 32 3HZ LYS 32 6.970 -7.416 -13.095 241 HZ2 LYS 32 1HZ LYS 32 7.632 -6.694 -14.480 242 HZ3 LYS 32 2HZ LYS 32 6.592 -5.803 -13.474 243 H SER 33 H SER 33 9.442 -3.245 -6.412 244 HA SER 33 HA SER 33 9.985 -1.192 -8.396 245 HB2 SER 33 2HB SER 33 9.624 -1.198 -5.387 246 HB3 SER 33 1HB SER 33 9.733 0.270 -6.351 247 HG SER 33 HG SER 33 7.587 -1.069 -5.860 248 H CYS 34 H CYS 34 11.668 -1.734 -5.239 249 HA CYS 34 HA CYS 34 14.031 -0.352 -6.283 250 HB2 CYS 34 2HB CYS 34 14.874 -0.599 -4.011 251 HB3 CYS 34 1HB CYS 34 13.193 -0.086 -3.958 252 HG CYS 34 HG CYS 34 12.527 -2.545 -3.320 253 H TRP 35 H TRP 35 13.262 -3.732 -5.389 254 HA TRP 35 HA TRP 35 14.949 -4.965 -7.303 255 HB2 TRP 35 2HB TRP 35 16.818 -5.670 -5.669 256 HB3 TRP 35 1HB TRP 35 16.883 -4.011 -6.251 257 HD1 TRP 35 HD TRP 35 15.171 -5.831 -3.281 258 HE1 TRP 35 1HE TRP 35 15.458 -4.368 -1.178 259 HE3 TRP 35 3HE TRP 35 17.753 -1.910 -5.285 260 HZ2 TRP 35 2HZ TRP 35 16.630 -1.864 -0.445 261 HZ3 TRP 35 3HZ TRP 35 18.442 -0.000 -3.864 262 HH2 TRP 35 HH TRP 35 17.885 0.028 -1.448 263 H PHE 36 H PHE 36 15.324 -7.326 -6.745 264 HA PHE 36 HA PHE 36 12.975 -8.429 -5.415 265 HB2 PHE 36 2HB PHE 36 13.845 -10.542 -6.249 266 HB3 PHE 36 1HB PHE 36 14.070 -9.326 -7.498 267 HD1 PHE 36 1HD PHE 36 16.335 -8.438 -8.002 268 HD2 PHE 36 2HD PHE 36 15.736 -11.551 -5.099 269 HE1 PHE 36 1HE PHE 36 18.755 -8.961 -8.063 270 HE2 PHE 36 2HE PHE 36 18.162 -12.071 -5.162 271 HZ PHE 36 HZ PHE 36 19.670 -10.775 -6.643 272 H GLU 37 H GLU 37 12.850 -8.728 -3.228 273 HA GLU 37 HA GLU 37 14.991 -10.006 -1.720 274 HB2 GLU 37 2HB GLU 37 15.614 -7.510 -2.142 275 HB3 GLU 37 1HB GLU 37 14.362 -7.160 -0.950 276 HG2 GLU 37 2HG GLU 37 16.407 -7.317 0.281 277 HG3 GLU 37 1HG GLU 37 15.536 -8.816 0.586 278 H ASN 38 H ASN 38 14.276 -10.561 0.425 279 HA ASN 38 HA ASN 38 11.387 -9.971 1.004 280 HB2 ASN 38 2HB ASN 38 13.048 -12.488 1.343 281 HB3 ASN 38 1HB ASN 38 11.409 -12.307 1.969 282 HD21 ASN 38 1HD2 ASN 38 12.446 -14.123 -0.236 283 HD22 ASN 38 2HD2 ASN 38 11.492 -13.750 -1.590 284 H LYS 39 H LYS 39 14.161 -8.873 1.989 285 HA LYS 39 HA LYS 39 14.532 -9.630 4.724 286 HB2 LYS 39 2HB LYS 39 15.159 -7.116 3.148 287 HB3 LYS 39 1HB LYS 39 15.794 -7.442 4.761 288 HG2 LYS 39 2HG LYS 39 16.176 -9.302 2.399 289 HG3 LYS 39 1HG LYS 39 17.360 -8.090 2.890 290 HD2 LYS 39 2HD LYS 39 17.503 -9.139 5.123 291 HD3 LYS 39 1HD LYS 39 16.332 -10.358 4.625 292 HE2 LYS 39 2HE LYS 39 17.863 -11.139 2.856 293 HE3 LYS 39 1HE LYS 39 19.047 -9.906 3.338 294 HZ1 LYS 39 3HZ LYS 39 19.143 -10.828 5.528 295 HZ2 LYS 39 1HZ LYS 39 19.417 -12.087 4.425 296 HZ3 LYS 39 2HZ LYS 39 17.903 -11.935 5.181 297 H GLY 40 H GLY 40 12.629 -6.985 3.255 298 HA2 GLY 40 2HA GLY 40 10.994 -6.858 5.723 299 HA3 GLY 40 1HA GLY 40 11.841 -5.379 5.267 300 H LEU 41 H LEU 41 10.013 -7.880 3.486 301 HA LEU 41 HA LEU 41 8.914 -5.909 1.639 302 HB2 LEU 41 2HB LEU 41 9.502 -8.263 1.085 303 HB3 LEU 41 1HB LEU 41 8.209 -8.813 2.149 304 HG LEU 41 HG LEU 41 6.561 -7.576 0.778 305 HD11 LEU 41 1HD1 LEU 41 9.065 -6.784 -0.697 306 HD12 LEU 41 2HD1 LEU 41 7.709 -5.775 -0.193 307 HD13 LEU 41 3HD1 LEU 41 7.527 -6.877 -1.558 308 HD21 LEU 41 3HD2 LEU 41 8.391 -9.552 -0.592 309 HD22 LEU 41 1HD2 LEU 41 6.901 -8.980 -1.342 310 HD23 LEU 41 2HD2 LEU 41 6.837 -9.865 0.183 311 H VAL 42 H VAL 42 6.954 -4.901 1.760 312 HA VAL 42 HA VAL 42 5.033 -5.721 3.909 313 HB VAL 42 HB VAL 42 5.899 -2.984 2.902 314 HG11 VAL 42 1HG1 VAL 42 4.354 -2.303 4.930 315 HG12 VAL 42 2HG1 VAL 42 3.563 -3.842 4.582 316 HG13 VAL 42 3HG1 VAL 42 3.644 -2.591 3.341 317 HG21 VAL 42 3HG2 VAL 42 5.990 -4.070 5.719 318 HG22 VAL 42 1HG2 VAL 42 6.849 -2.678 5.058 319 HG23 VAL 42 2HG2 VAL 42 7.320 -4.311 4.584 320 H GLU 43 H GLU 43 2.983 -6.132 3.074 321 HA GLU 43 HA GLU 43 2.622 -5.761 0.168 322 HB2 GLU 43 2HB GLU 43 0.697 -7.261 0.544 323 HB3 GLU 43 1HB GLU 43 2.172 -7.913 1.254 324 HG2 GLU 43 2HG GLU 43 1.021 -6.319 3.274 325 HG3 GLU 43 1HG GLU 43 -0.325 -7.195 2.548 326 H CYS 44 H CYS 44 1.865 -3.799 -0.457 327 HA CYS 44 HA CYS 44 0.131 -2.053 1.092 328 HB2 CYS 44 2HB CYS 44 1.694 -1.861 -1.158 329 HB3 CYS 44 1HB CYS 44 0.101 -2.002 -1.891 330 HG CYS 44 HG CYS 44 -0.600 0.119 -0.388 331 H ASN 45 H ASN 45 -2.241 -1.611 0.109 332 HA ASN 45 HA ASN 45 -3.821 -3.948 0.334 333 HB2 ASN 45 2HB ASN 45 -4.236 -1.305 -1.087 334 HB3 ASN 45 1HB ASN 45 -5.528 -2.490 -0.900 335 HD21 ASN 45 1HD2 ASN 45 -5.588 0.139 0.338 336 HD22 ASN 45 2HD2 ASN 45 -5.550 -0.087 2.019 337 H ASN 46 H ASN 46 -3.433 -2.225 -2.791 338 HA ASN 46 HA ASN 46 -3.545 -4.875 -4.181 339 HB2 ASN 46 2HB ASN 46 -4.173 -2.042 -5.070 340 HB3 ASN 46 1HB ASN 46 -4.320 -3.468 -6.100 341 HD21 ASN 46 1HD2 ASN 46 -5.452 -5.340 -4.316 342 HD22 ASN 46 2HD2 ASN 46 -6.975 -4.791 -3.809 343 H HIS 47 H HIS 47 -1.063 -3.608 -2.997 344 HA HIS 47 HA HIS 47 0.630 -3.771 -5.425 345 HB2 HIS 47 2HB HIS 47 0.242 -1.500 -5.613 346 HB3 HIS 47 1HB HIS 47 -0.180 -1.330 -3.920 347 HD2 HIS 47 2HD HIS 47 3.410 -2.333 -5.374 348 HE1 HIS 47 1HE HIS 47 3.788 1.116 -2.971 349 HE2 HIS 47 2HE HIS 47 5.055 -0.618 -4.316 350 H TYR 48 H TYR 48 2.934 -4.097 -4.865 351 HA TYR 48 HA TYR 48 3.362 -4.848 -1.990 352 HB2 TYR 48 2HB TYR 48 3.628 -6.289 -4.476 353 HB3 TYR 48 1HB TYR 48 5.207 -6.187 -3.701 354 HD1 TYR 48 2HD TYR 48 5.430 -6.912 -1.262 355 HD2 TYR 48 1HD TYR 48 1.949 -7.732 -3.642 356 HE1 TYR 48 2HE TYR 48 4.748 -8.680 0.341 357 HE2 TYR 48 1HE TYR 48 1.274 -9.499 -2.040 358 HH TYR 48 HH TYR 48 2.594 -11.025 -0.315 359 H LEU 49 H LEU 49 4.854 -3.616 -0.982 360 HA LEU 49 HA LEU 49 7.276 -2.694 -2.456 361 HB2 LEU 49 2HB LEU 49 5.437 -0.906 -2.363 362 HB3 LEU 49 1HB LEU 49 5.656 -0.903 -0.614 363 HG LEU 49 HG LEU 49 8.104 -0.448 -0.994 364 HD11 LEU 49 1HD1 LEU 49 8.381 -1.266 -3.241 365 HD12 LEU 49 2HD1 LEU 49 8.645 0.475 -3.298 366 HD13 LEU 49 3HD1 LEU 49 7.113 -0.202 -3.847 367 HD21 LEU 49 3HD2 LEU 49 6.082 1.527 -2.102 368 HD22 LEU 49 1HD2 LEU 49 7.750 1.943 -1.710 369 HD23 LEU 49 2HD2 LEU 49 6.650 1.416 -0.436 370 H CYS 50 H CYS 50 9.128 -2.715 -1.018 371 HA CYS 50 HA CYS 50 8.602 -3.967 1.602 372 HB2 CYS 50 2HB CYS 50 10.881 -4.697 1.509 373 HB3 CYS 50 1HB CYS 50 10.209 -4.934 -0.098 374 HG CYS 50 HG CYS 50 11.508 -2.255 -0.076 375 H LEU 51 H LEU 51 9.756 -3.186 3.487 376 HA LEU 51 HA LEU 51 9.297 -0.451 4.013 377 HB2 LEU 51 2HB LEU 51 9.685 -2.577 5.515 378 HB3 LEU 51 1HB LEU 51 11.369 -2.073 5.465 379 HG LEU 51 HG LEU 51 10.376 -1.125 7.429 380 HD11 LEU 51 1HD1 LEU 51 11.857 0.345 5.917 381 HD12 LEU 51 2HD1 LEU 51 10.940 1.130 7.203 382 HD13 LEU 51 3HD1 LEU 51 10.362 1.202 5.540 383 HD21 LEU 51 3HD2 LEU 51 8.116 -0.905 7.366 384 HD22 LEU 51 1HD2 LEU 51 8.106 -0.700 5.615 385 HD23 LEU 51 2HD2 LEU 51 8.427 0.682 6.663 386 H ASN 52 H ASN 52 12.265 -2.137 3.036 387 HA ASN 52 HA ASN 52 14.177 -0.191 3.564 388 HB2 ASN 52 2HB ASN 52 13.911 -1.988 1.126 389 HB3 ASN 52 1HB ASN 52 15.413 -1.238 1.659 390 HD21 ASN 52 1HD2 ASN 52 13.849 -4.143 1.750 391 HD22 ASN 52 2HD2 ASN 52 14.460 -4.757 3.210 392 H CYS 53 H CYS 53 12.193 -0.414 0.558 393 HA CYS 53 HA CYS 53 13.227 2.227 -0.308 394 HB2 CYS 53 2HB CYS 53 11.977 1.739 -2.379 395 HB3 CYS 53 1HB CYS 53 13.042 0.409 -1.944 396 HG CYS 53 HG CYS 53 10.955 -0.921 -2.227 397 H LEU 54 H LEU 54 10.410 0.806 1.167 398 HA LEU 54 HA LEU 54 8.403 2.739 0.621 399 HB2 LEU 54 2HB LEU 54 8.200 0.527 1.807 400 HB3 LEU 54 1HB LEU 54 8.969 1.262 3.209 401 HG LEU 54 HG LEU 54 6.507 2.461 1.976 402 HD11 LEU 54 1HD1 LEU 54 6.722 0.227 4.003 403 HD12 LEU 54 2HD1 LEU 54 5.872 0.188 2.457 404 HD13 LEU 54 3HD1 LEU 54 5.257 1.184 3.777 405 HD21 LEU 54 3HD2 LEU 54 6.336 2.899 4.636 406 HD22 LEU 54 1HD2 LEU 54 7.221 3.980 3.560 407 HD23 LEU 54 2HD2 LEU 54 8.088 2.755 4.488 408 H THR 55 H THR 55 10.911 2.687 3.164 409 HA THR 55 HA THR 55 10.098 5.081 4.525 410 HB THR 55 HB THR 55 12.780 3.698 4.191 411 HG1 THR 55 1HG THR 55 12.218 2.753 6.140 412 HG21 THR 55 3HG2 THR 55 13.163 4.854 6.498 413 HG22 THR 55 1HG2 THR 55 11.894 5.959 5.972 414 HG23 THR 55 2HG2 THR 55 13.380 5.812 5.033 415 H LEU 56 H LEU 56 12.390 4.561 1.814 416 HA LEU 56 HA LEU 56 13.402 7.217 1.630 417 HB2 LEU 56 2HB LEU 56 12.885 5.040 -0.416 418 HB3 LEU 56 1HB LEU 56 13.779 6.513 -0.793 419 HG LEU 56 HG LEU 56 14.522 4.659 1.484 420 HD11 LEU 56 1HD1 LEU 56 15.018 3.267 -0.293 421 HD12 LEU 56 2HD1 LEU 56 16.484 4.248 -0.284 422 HD13 LEU 56 3HD1 LEU 56 15.191 4.605 -1.429 423 HD21 LEU 56 3HD2 LEU 56 15.603 6.648 1.952 424 HD22 LEU 56 1HD2 LEU 56 15.610 7.160 0.265 425 HD23 LEU 56 2HD2 LEU 56 16.773 5.958 0.826 426 H LEU 57 H LEU 57 10.518 5.759 0.109 427 HA LEU 57 HA LEU 57 9.675 8.454 -0.883 428 HB2 LEU 57 2HB LEU 57 9.029 5.577 -1.505 429 HB3 LEU 57 1HB LEU 57 7.933 6.860 -2.014 430 HG LEU 57 HG LEU 57 10.823 7.251 -2.616 431 HD11 LEU 57 1HD1 LEU 57 10.740 5.809 -4.572 432 HD12 LEU 57 2HD1 LEU 57 9.065 5.378 -4.232 433 HD13 LEU 57 3HD1 LEU 57 10.351 4.837 -3.153 434 HD21 LEU 57 3HD2 LEU 57 8.369 7.584 -4.361 435 HD22 LEU 57 1HD2 LEU 57 9.929 8.392 -4.522 436 HD23 LEU 57 2HD2 LEU 57 8.856 8.806 -3.185 437 H LEU 58 H LEU 58 9.335 6.823 1.942 438 HA LEU 58 HA LEU 58 7.707 6.832 3.656 439 HB2 LEU 58 2HB LEU 58 7.350 9.194 2.092 440 HB3 LEU 58 1HB LEU 58 5.754 8.562 2.475 441 HG LEU 58 HG LEU 58 6.514 10.115 4.216 442 HD11 LEU 58 1HD1 LEU 58 6.702 7.390 5.456 443 HD12 LEU 58 2HD1 LEU 58 5.203 7.911 4.687 444 HD13 LEU 58 3HD1 LEU 58 5.860 8.824 6.045 445 HD21 LEU 58 3HD2 LEU 58 8.678 8.167 4.963 446 HD22 LEU 58 1HD2 LEU 58 8.500 9.858 5.433 447 HD23 LEU 58 2HD2 LEU 58 8.994 9.447 3.791 448 H SER 59 H SER 59 5.542 5.851 4.065 449 HA SER 59 HA SER 59 4.800 3.845 2.123 450 HB2 SER 59 2HB SER 59 4.384 4.077 4.716 451 HB3 SER 59 1HB SER 59 2.939 4.958 4.227 452 HG SER 59 HG SER 59 2.272 3.144 3.084 453 H VAL 60 H VAL 60 3.123 6.780 3.221 454 HA VAL 60 HA VAL 60 2.333 7.436 0.464 455 HB VAL 60 HB VAL 60 -0.064 7.571 1.093 456 HG11 VAL 60 1HG1 VAL 60 1.015 5.508 0.058 457 HG12 VAL 60 2HG1 VAL 60 -0.511 5.229 0.898 458 HG13 VAL 60 3HG1 VAL 60 1.014 4.803 1.675 459 HG21 VAL 60 3HG2 VAL 60 -0.357 7.748 3.359 460 HG22 VAL 60 1HG2 VAL 60 1.074 6.785 3.725 461 HG23 VAL 60 2HG2 VAL 60 -0.433 5.989 3.271 462 H SER 61 H SER 61 4.083 9.023 1.620 463 HA SER 61 HA SER 61 3.373 10.886 3.616 464 HB2 SER 61 2HB SER 61 4.992 12.373 2.456 465 HB3 SER 61 1HB SER 61 5.584 10.717 2.524 466 HG SER 61 HG SER 61 5.672 11.878 0.427 467 H ASN 62 H ASN 62 2.637 10.948 0.166 468 HA ASN 62 HA ASN 62 0.478 12.954 0.697 469 HB2 ASN 62 2HB ASN 62 2.413 12.725 -1.638 470 HB3 ASN 62 1HB ASN 62 1.045 13.840 -1.587 471 HD21 ASN 62 1HD2 ASN 62 1.081 14.973 0.865 472 HD22 ASN 62 2HD2 ASN 62 2.573 15.707 1.208 473 H ARG 63 H ARG 63 1.736 10.484 -1.544 474 HA ARG 63 HA ARG 63 -0.920 9.205 -1.724 475 HB2 ARG 63 2HB ARG 63 -1.024 9.570 -4.178 476 HB3 ARG 63 1HB ARG 63 -1.017 11.100 -3.301 477 HG2 ARG 63 2HG ARG 63 1.417 11.319 -3.699 478 HG3 ARG 63 1HG ARG 63 1.407 9.793 -4.584 479 HD2 ARG 63 2HD ARG 63 -0.184 10.757 -6.222 480 HD3 ARG 63 1HD ARG 63 -0.128 12.300 -5.349 481 HE ARG 63 HE ARG 63 2.555 11.557 -5.844 482 HH11 ARG 63 1HH1 ARG 63 -0.285 12.570 -7.615 483 HH12 ARG 63 2HH1 ARG 63 0.635 13.138 -8.965 484 HH21 ARG 63 1HH2 ARG 63 3.703 12.243 -7.646 485 HH22 ARG 63 2HH2 ARG 63 2.867 12.958 -8.983 486 H CYS 64 H CYS 64 -0.776 7.046 -2.635 487 HA CYS 64 HA CYS 64 1.951 5.891 -2.685 488 HB2 CYS 64 2HB CYS 64 -0.320 4.938 -1.694 489 HB3 CYS 64 1HB CYS 64 -0.584 4.410 -3.355 490 HG CYS 64 HG CYS 64 0.960 2.534 -2.877 491 HA PRO 65 HA PRO 65 1.764 6.920 -7.083 492 HB2 PRO 65 2HB PRO 65 4.281 6.055 -7.741 493 HB3 PRO 65 1HB PRO 65 3.951 7.623 -6.977 494 HG2 PRO 65 2HG PRO 65 4.853 5.066 -5.727 495 HG3 PRO 65 1HG PRO 65 5.408 6.723 -5.429 496 HD2 PRO 65 2HD PRO 65 3.691 5.476 -3.773 497 HD3 PRO 65 1HD PRO 65 3.607 7.227 -4.075 498 H ILE 66 H ILE 66 2.839 3.746 -5.857 499 HA ILE 66 HA ILE 66 2.540 2.405 -8.405 500 HB ILE 66 HB ILE 66 2.508 1.302 -5.589 501 HG12 ILE 66 2HG1 ILE 66 4.513 2.684 -6.004 502 HG13 ILE 66 1HG1 ILE 66 4.949 0.978 -5.939 503 HG21 ILE 66 1HG2 ILE 66 2.676 0.110 -8.321 504 HG22 ILE 66 2HG2 ILE 66 1.904 -0.522 -6.867 505 HG23 ILE 66 3HG2 ILE 66 3.656 -0.619 -7.048 506 HD11 ILE 66 3HD1 ILE 66 6.073 1.580 -7.869 507 HD12 ILE 66 1HD1 ILE 66 4.909 2.840 -8.281 508 HD13 ILE 66 2HD1 ILE 66 4.518 1.146 -8.575 509 H CYS 67 H CYS 67 0.398 2.637 -5.541 510 HA CYS 67 HA CYS 67 -1.706 0.989 -6.579 511 HB2 CYS 67 2HB CYS 67 -1.609 3.290 -4.613 512 HB3 CYS 67 1HB CYS 67 -3.073 2.355 -4.906 513 HG CYS 67 HG CYS 67 -0.493 1.249 -3.562 514 H LYS 68 H LYS 68 -0.650 4.177 -7.447 515 HA LYS 68 HA LYS 68 -1.455 5.721 -9.022 516 HB2 LYS 68 2HB LYS 68 -1.625 3.329 -10.135 517 HB3 LYS 68 1HB LYS 68 -3.359 3.601 -9.974 518 HG2 LYS 68 2HG LYS 68 -3.203 5.668 -11.248 519 HG3 LYS 68 1HG LYS 68 -1.445 5.529 -11.317 520 HD2 LYS 68 2HD LYS 68 -1.647 3.427 -12.580 521 HD3 LYS 68 1HD LYS 68 -3.406 3.543 -12.502 522 HE2 LYS 68 2HE LYS 68 -3.336 5.662 -13.768 523 HE3 LYS 68 1HE LYS 68 -1.565 5.556 -13.846 524 HZ1 LYS 68 3HZ LYS 68 -3.486 3.530 -14.869 525 HZ2 LYS 68 1HZ LYS 68 -1.797 3.369 -14.883 526 HZ3 LYS 68 2HZ LYS 68 -2.542 4.575 -15.820 527 H MET 69 H MET 69 -2.905 5.249 -6.374 528 HA MET 69 HA MET 69 -5.445 6.605 -7.192 529 HB2 MET 69 2HB MET 69 -5.617 4.120 -6.598 530 HB3 MET 69 1HB MET 69 -5.228 4.599 -4.944 531 HG2 MET 69 2HG MET 69 -7.631 4.555 -5.114 532 HG3 MET 69 1HG MET 69 -7.143 6.250 -5.074 533 HE1 MET 69 3HE MET 69 -7.044 3.493 -7.951 534 HE2 MET 69 1HE MET 69 -8.648 3.794 -8.633 535 HE3 MET 69 2HE MET 69 -8.481 3.300 -6.950 536 HA PRO 70 HA PRO 70 -3.998 9.411 -4.059 537 HB2 PRO 70 2HB PRO 70 -6.109 11.139 -4.061 538 HB3 PRO 70 1HB PRO 70 -4.888 11.109 -5.346 539 HG2 PRO 70 2HG PRO 70 -7.655 10.067 -5.344 540 HG3 PRO 70 1HG PRO 70 -6.692 10.727 -6.673 541 HD2 PRO 70 2HD PRO 70 -7.167 8.025 -6.192 542 HD3 PRO 70 1HD PRO 70 -5.901 8.688 -7.246 543 H LEU 71 H LEU 71 -4.521 9.994 -1.858 544 HA LEU 71 HA LEU 71 -6.963 8.773 -0.656 545 HB2 LEU 71 2HB LEU 71 -5.461 7.747 1.100 546 HB3 LEU 71 1HB LEU 71 -5.243 7.052 -0.506 547 HG LEU 71 HG LEU 71 -3.538 9.402 0.085 548 HD11 LEU 71 1HD1 LEU 71 -1.983 8.201 1.498 549 HD12 LEU 71 2HD1 LEU 71 -2.964 6.738 1.411 550 HD13 LEU 71 3HD1 LEU 71 -3.569 8.155 2.269 551 HD21 LEU 71 3HD2 LEU 71 -1.874 7.552 -0.834 552 HD22 LEU 71 1HD2 LEU 71 -2.999 8.364 -1.922 553 HD23 LEU 71 2HD2 LEU 71 -3.374 6.754 -1.309 554 HA PRO 72 HA PRO 72 -5.673 12.986 0.944 555 HB2 PRO 72 2HB PRO 72 -8.140 14.156 0.697 556 HB3 PRO 72 1HB PRO 72 -6.931 14.153 -0.602 557 HG2 PRO 72 2HG PRO 72 -9.299 12.380 -0.223 558 HG3 PRO 72 1HG PRO 72 -8.689 13.143 -1.701 559 HD2 PRO 72 2HD PRO 72 -8.231 10.546 -1.131 560 HD3 PRO 72 1HD PRO 72 -7.052 11.548 -2.011 561 H THR 73 H THR 73 -8.156 10.650 1.641 562 HA THR 73 HA THR 73 -9.121 11.822 4.117 563 HB THR 73 HB THR 73 -9.989 9.428 4.378 564 HG1 THR 73 1HG THR 73 -9.102 7.998 3.153 565 HG21 THR 73 3HG2 THR 73 -11.442 9.618 2.295 566 HG22 THR 73 1HG2 THR 73 -10.473 11.024 1.855 567 HG23 THR 73 2HG2 THR 73 -11.424 11.038 3.340 568 H LYS 74 H LYS 74 -8.744 10.713 6.258 569 HA LYS 74 HA LYS 74 -5.997 9.530 6.473 570 HB2 LYS 74 2HB LYS 74 -7.312 11.722 8.105 571 HB3 LYS 74 1HB LYS 74 -5.786 10.953 8.543 572 HG2 LYS 74 2HG LYS 74 -4.808 11.656 6.390 573 HG3 LYS 74 1HG LYS 74 -6.331 12.432 5.953 574 HD2 LYS 74 2HD LYS 74 -6.140 13.924 7.906 575 HD3 LYS 74 1HD LYS 74 -4.616 13.151 8.349 576 HE2 LYS 74 2HE LYS 74 -3.616 13.871 6.206 577 HE3 LYS 74 1HE LYS 74 -5.146 14.651 5.756 578 HZ1 LYS 74 3HZ LYS 74 -5.025 15.998 7.744 579 HZ2 LYS 74 1HZ LYS 74 -3.615 16.217 6.828 580 HZ3 LYS 74 2HZ LYS 74 -3.581 15.238 8.216 581 H LEU 75 H LEU 75 -5.726 8.109 8.302 582 HA LEU 75 HA LEU 75 -8.260 6.850 9.211 583 HB2 LEU 75 2HB LEU 75 -6.372 5.559 8.182 584 HB3 LEU 75 1HB LEU 75 -5.357 6.029 9.546 585 HG LEU 75 HG LEU 75 -6.999 4.962 11.090 586 HD11 LEU 75 1HD1 LEU 75 -9.059 4.964 9.977 587 HD12 LEU 75 2HD1 LEU 75 -8.559 3.280 9.822 588 HD13 LEU 75 3HD1 LEU 75 -8.354 4.388 8.466 589 HD21 LEU 75 3HD2 LEU 75 -5.698 3.343 8.898 590 HD22 LEU 75 1HD2 LEU 75 -6.534 2.565 10.242 591 HD23 LEU 75 2HD2 LEU 75 -5.138 3.598 10.551 592 H ARG 76 H ARG 76 -9.029 7.284 11.225 593 HA ARG 76 HA ARG 76 -7.861 9.107 13.058 594 HB2 ARG 76 2HB ARG 76 -9.599 8.233 14.588 595 HB3 ARG 76 1HB ARG 76 -10.244 8.453 12.964 596 HG2 ARG 76 2HG ARG 76 -9.737 5.993 12.548 597 HG3 ARG 76 1HG ARG 76 -9.399 5.855 14.273 598 HD2 ARG 76 2HD ARG 76 -11.971 7.172 13.533 599 HD3 ARG 76 1HD ARG 76 -11.864 5.418 13.282 600 HE ARG 76 HE ARG 76 -10.846 6.401 15.870 601 HH11 ARG 76 1HH1 ARG 76 -13.748 5.482 14.209 602 HH12 ARG 76 2HH1 ARG 76 -14.391 4.620 15.564 603 HH21 ARG 76 1HH2 ARG 76 -11.598 5.080 17.557 604 HH22 ARG 76 2HH2 ARG 76 -13.184 4.395 17.446 605 HA PRO 77 HA PRO 77 -4.856 6.684 15.184 606 HB2 PRO 77 2HB PRO 77 -4.950 7.767 17.698 607 HB3 PRO 77 1HB PRO 77 -4.207 8.589 16.312 608 HG2 PRO 77 2HG PRO 77 -6.876 9.013 17.554 609 HG3 PRO 77 1HG PRO 77 -5.739 10.194 16.884 610 HD2 PRO 77 2HD PRO 77 -7.962 9.320 15.562 611 HD3 PRO 77 1HD PRO 77 -6.497 9.909 14.747 612 H SER 78 H SER 78 -8.170 6.741 16.241 613 HA SER 78 HA SER 78 -9.476 5.196 17.451 614 HB2 SER 78 2HB SER 78 -7.401 3.771 15.950 615 HB3 SER 78 1HB SER 78 -7.975 2.854 17.340 616 HG SER 78 HG SER 78 -10.117 3.255 16.568 617 H ALA 79 H ALA 79 -7.564 6.788 18.965 618 HA ALA 79 HA ALA 79 -7.251 4.993 21.331 619 HB1 ALA 79 1HB ALA 79 -5.140 6.835 20.160 620 HB2 ALA 79 2HB ALA 79 -5.125 5.075 20.056 621 HB3 ALA 79 3HB ALA 79 -4.957 5.868 21.623 622 H ALA 80 H ALA 80 -7.480 6.110 23.313 623 HA ALA 80 HA ALA 80 -7.673 9.062 23.331 624 HB1 ALA 80 1HB ALA 80 -10.034 8.525 24.515 625 HB2 ALA 80 2HB ALA 80 -9.952 7.137 23.430 626 HB3 ALA 80 3HB ALA 80 -9.897 8.774 22.775 627 HA PRO 81 HA PRO 81 -6.052 7.097 27.211 628 HB2 PRO 81 2HB PRO 81 -4.011 8.886 27.590 629 HB3 PRO 81 1HB PRO 81 -3.852 7.429 26.588 630 HG2 PRO 81 2HG PRO 81 -4.328 10.251 25.762 631 HG3 PRO 81 1HG PRO 81 -3.299 9.015 25.019 632 HD2 PRO 81 2HD PRO 81 -5.745 9.683 24.049 633 HD3 PRO 81 1HD PRO 81 -5.043 8.058 23.875 634 H THR 82 H THR 82 -7.002 10.332 26.293 635 HA THR 82 HA THR 82 -7.677 10.940 29.154 636 HB THR 82 HB THR 82 -6.915 12.806 26.879 637 HG1 THR 82 1HG THR 82 -5.003 13.034 28.131 638 HG21 THR 82 3HG2 THR 82 -8.456 13.732 28.643 639 HG22 THR 82 1HG2 THR 82 -6.894 14.547 28.552 640 HG23 THR 82 2HG2 THR 82 -7.207 13.380 29.837 641 H ALA 83 H ALA 83 -9.846 11.195 29.484 642 HA ALA 83 HA ALA 83 -11.599 12.454 27.514 643 HB1 ALA 83 1HB ALA 83 -12.689 10.555 26.721 644 HB2 ALA 83 2HB ALA 83 -12.302 9.611 28.160 645 HB3 ALA 83 3HB ALA 83 -11.063 9.905 26.940 646 HA PRO 84 HA PRO 84 -12.868 12.288 32.041 647 HB2 PRO 84 2HB PRO 84 -12.651 14.958 32.593 648 HB3 PRO 84 1HB PRO 84 -11.309 13.817 32.802 649 HG2 PRO 84 2HG PRO 84 -11.820 15.756 30.610 650 HG3 PRO 84 1HG PRO 84 -10.291 15.271 31.357 651 HD2 PRO 84 2HD PRO 84 -11.172 14.345 28.935 652 HD3 PRO 84 1HD PRO 84 -10.050 13.460 29.991 653 HA PRO 85 HA PRO 85 -16.912 13.584 30.810 654 HB2 PRO 85 2HB PRO 85 -18.130 13.883 33.238 655 HB3 PRO 85 1HB PRO 85 -17.753 12.296 32.540 656 HG2 PRO 85 2HG PRO 85 -16.302 13.837 34.633 657 HG3 PRO 85 1HG PRO 85 -16.612 12.098 34.523 658 HD2 PRO 85 2HD PRO 85 -14.223 13.237 33.880 659 HD3 PRO 85 1HD PRO 85 -14.817 11.728 33.153 660 H THR 86 H THR 86 -18.228 15.508 30.702 661 HA THR 86 HA THR 86 -17.308 17.897 32.223 662 HB THR 86 HB THR 86 -15.961 17.816 30.168 663 HG1 THR 86 1HG THR 86 -18.067 19.692 29.894 664 HG21 THR 86 3HG2 THR 86 -17.157 17.984 27.955 665 HG22 THR 86 1HG2 THR 86 -18.658 17.611 28.803 666 HG23 THR 86 2HG2 THR 86 -17.353 16.427 28.760 667 H GLY 87 H GLY 87 -18.909 19.643 32.137 668 HA2 GLY 87 2HA GLY 87 -21.412 19.352 30.725 669 HA3 GLY 87 1HA GLY 87 -21.586 18.869 32.413 670 H ALA 88 H ALA 88 -19.750 20.733 33.554 671 HA ALA 88 HA ALA 88 -19.790 22.915 34.454 672 HB1 ALA 88 1HB ALA 88 -19.444 24.536 32.808 673 HB2 ALA 88 2HB ALA 88 -20.671 23.855 31.739 674 HB3 ALA 88 3HB ALA 88 -19.105 23.060 31.905 675 H ALA 89 H ALA 89 -22.139 21.555 35.002 676 HA ALA 89 HA ALA 89 -24.572 22.786 34.142 677 HB1 ALA 89 1HB ALA 89 -25.248 21.863 36.531 678 HB2 ALA 89 2HB ALA 89 -23.626 21.169 36.491 679 HB3 ALA 89 3HB ALA 89 -24.801 20.741 35.247 680 H ASP 90 H ASP 90 -22.321 23.578 36.774 681 HA ASP 90 HA ASP 90 -23.967 25.614 38.002 682 HB2 ASP 90 2HB ASP 90 -21.824 26.185 39.129 683 HB3 ASP 90 1HB ASP 90 -22.113 24.446 39.131 684 H SER 91 H SER 91 -24.470 27.556 37.087 685 HA SER 91 HA SER 91 -23.186 28.560 34.693 686 HB2 SER 91 2HB SER 91 -25.537 28.980 35.267 687 HB3 SER 91 1HB SER 91 -25.048 29.829 36.730 688 HG SER 91 HG SER 91 -25.503 31.005 34.582 689 H ILE 92 H ILE 92 -21.619 30.168 34.501 690 HA ILE 92 HA ILE 92 -20.537 31.346 37.033 691 HB ILE 92 HB ILE 92 -19.189 29.422 36.251 692 HG12 ILE 92 2HG1 ILE 92 -17.739 32.014 35.658 693 HG13 ILE 92 1HG1 ILE 92 -18.157 31.498 37.292 694 HG21 ILE 92 1HG2 ILE 92 -18.023 29.536 34.090 695 HG22 ILE 92 2HG2 ILE 92 -18.821 31.067 33.728 696 HG23 ILE 92 3HG2 ILE 92 -19.770 29.584 33.847 697 HD11 ILE 92 3HD1 ILE 92 -16.686 29.692 37.244 698 HD12 ILE 92 1HD1 ILE 92 -15.802 30.877 36.282 699 HD13 ILE 92 2HD1 ILE 92 -16.708 29.591 35.484 700 H ARG 93 H ARG 93 -19.965 33.511 36.869 701 HA ARG 93 HA ARG 93 -19.388 34.922 34.438 702 HB2 ARG 93 2HB ARG 93 -22.187 34.400 35.077 703 HB3 ARG 93 1HB ARG 93 -21.870 36.132 34.998 704 HG2 ARG 93 2HG ARG 93 -20.529 35.358 32.793 705 HG3 ARG 93 1HG ARG 93 -21.750 34.084 32.843 706 HD2 ARG 93 2HD ARG 93 -22.712 35.879 31.552 707 HD3 ARG 93 1HD ARG 93 -23.479 35.965 33.150 708 HE ARG 93 HE ARG 93 -21.197 37.530 33.415 709 HH11 ARG 93 1HH1 ARG 93 -22.289 37.687 30.391 710 HH12 ARG 93 2HH1 ARG 93 -23.006 39.261 30.472 711 HH21 ARG 93 1HH2 ARG 93 -22.822 39.454 33.931 712 HH22 ARG 93 2HH2 ARG 93 -23.308 40.263 32.478 713 HA PRO 94 HA PRO 94 -20.114 38.134 37.886 714 HB2 PRO 94 2HB PRO 94 -21.303 37.366 40.225 715 HB3 PRO 94 1HB PRO 94 -22.221 37.961 38.827 716 HG2 PRO 94 2HG PRO 94 -21.783 35.170 39.757 717 HG3 PRO 94 1HG PRO 94 -23.235 35.918 39.072 718 HD2 PRO 94 2HD PRO 94 -21.562 34.309 37.652 719 HD3 PRO 94 1HD PRO 94 -22.548 35.590 36.918 720 HA PRO 95 HA PRO 95 -16.556 36.835 40.162 721 HB2 PRO 95 2HB PRO 95 -16.281 38.880 41.958 722 HB3 PRO 95 1HB PRO 95 -15.894 39.051 40.234 723 HG2 PRO 95 2HG PRO 95 -18.307 39.936 41.729 724 HG3 PRO 95 1HG PRO 95 -17.441 40.734 40.407 725 HD2 PRO 95 2HD PRO 95 -19.780 39.361 40.079 726 HD3 PRO 95 1HD PRO 95 -18.569 39.575 38.796 727 HA PRO 96 HA PRO 96 -18.076 34.811 43.798 728 HB2 PRO 96 2HB PRO 96 -15.743 34.313 45.140 729 HB3 PRO 96 1HB PRO 96 -16.228 33.415 43.687 730 HG2 PRO 96 2HG PRO 96 -14.294 35.661 43.966 731 HG3 PRO 96 1HG PRO 96 -14.196 34.205 42.963 732 HD2 PRO 96 2HD PRO 96 -14.892 36.648 41.985 733 HD3 PRO 96 1HD PRO 96 -15.455 35.117 41.281 734 H TYR 97 H TYR 97 -18.585 35.322 45.996 735 HA TYR 97 HA TYR 97 -18.458 38.068 46.791 736 HB2 TYR 97 2HB TYR 97 -19.000 35.474 48.267 737 HB3 TYR 97 1HB TYR 97 -19.232 37.063 48.999 738 HD1 TYR 97 2HD TYR 97 -20.863 38.678 47.988 739 HD2 TYR 97 1HD TYR 97 -20.561 34.601 46.674 740 HE1 TYR 97 2HE TYR 97 -23.075 38.871 46.884 741 HE2 TYR 97 1HE TYR 97 -22.773 34.793 45.570 742 HH TYR 97 HH TYR 97 -24.872 37.463 46.112 743 H SER 98 H SER 98 -16.520 35.236 47.770 744 HA SER 98 HA SER 98 -14.476 35.084 48.944 745 HB2 SER 98 2HB SER 98 -14.064 37.907 47.928 746 HB3 SER 98 1HB SER 98 -12.844 36.665 48.193 747 HG SER 98 HG SER 98 -14.659 37.001 46.107 748 HA PRO 99 HA PRO 99 -16.157 37.684 52.399 749 HB2 PRO 99 2HB PRO 99 -16.352 35.670 54.238 750 HB3 PRO 99 1HB PRO 99 -17.643 36.051 53.083 751 HG2 PRO 99 2HG PRO 99 -15.622 33.874 53.015 752 HG3 PRO 99 1HG PRO 99 -17.319 33.857 52.512 753 HD2 PRO 99 2HD PRO 99 -15.203 34.050 50.780 754 HD3 PRO 99 1HD PRO 99 -16.839 34.647 50.428 Start of MODEL 8 1 H1 MET 1 1HT MET 1 -22.648 -32.931 -49.448 2 H2 MET 1 2HT MET 1 -22.625 -31.747 -48.228 3 H3 MET 1 3HT MET 1 -22.898 -33.377 -47.832 4 HA MET 1 HA MET 1 -20.602 -33.853 -48.768 5 HB2 MET 1 2HB MET 1 -20.698 -30.826 -48.605 6 HB3 MET 1 1HB MET 1 -19.197 -31.737 -48.760 7 HG2 MET 1 2HG MET 1 -19.973 -32.717 -50.866 8 HG3 MET 1 1HG MET 1 -21.519 -31.884 -50.705 9 HE1 MET 1 2HE MET 1 -17.803 -31.752 -51.281 10 HE2 MET 1 3HE MET 1 -17.826 -30.665 -49.897 11 HE3 MET 1 1HE MET 1 -17.392 -30.054 -51.499 12 H GLY 2 H GLY 2 -18.608 -32.939 -47.184 13 HA2 GLY 2 2HA GLY 2 -17.801 -32.896 -44.980 14 HA3 GLY 2 1HA GLY 2 -19.336 -32.154 -44.525 15 H ASN 3 H ASN 3 -18.722 -35.350 -45.974 16 HA ASN 3 HA ASN 3 -20.621 -36.726 -44.342 17 HB2 ASN 3 2HB ASN 3 -18.243 -37.495 -46.030 18 HB3 ASN 3 1HB ASN 3 -19.143 -38.728 -45.149 19 HD21 ASN 3 1HD2 ASN 3 -21.573 -38.785 -45.606 20 HD22 ASN 3 2HD2 ASN 3 -22.103 -38.349 -47.160 21 H LYS 4 H LYS 4 -17.098 -36.313 -43.993 22 HA LYS 4 HA LYS 4 -16.746 -38.018 -41.719 23 HB2 LYS 4 2HB LYS 4 -15.267 -35.561 -42.706 24 HB3 LYS 4 1HB LYS 4 -14.643 -36.659 -41.475 25 HG2 LYS 4 2HG LYS 4 -15.447 -37.523 -44.268 26 HG3 LYS 4 1HG LYS 4 -13.790 -37.161 -43.783 27 HD2 LYS 4 2HD LYS 4 -13.917 -38.922 -42.051 28 HD3 LYS 4 1HD LYS 4 -15.564 -39.296 -42.555 29 HE2 LYS 4 2HE LYS 4 -14.764 -39.909 -44.801 30 HE3 LYS 4 1HE LYS 4 -13.101 -39.513 -44.320 31 HZ1 LYS 4 3HZ LYS 4 -13.378 -41.086 -42.445 32 HZ2 LYS 4 1HZ LYS 4 -13.444 -41.843 -43.962 33 HZ3 LYS 4 2HZ LYS 4 -14.876 -41.557 -43.094 34 H GLN 5 H GLN 5 -17.431 -34.515 -41.940 35 HA GLN 5 HA GLN 5 -18.134 -32.976 -40.282 36 HB2 GLN 5 2HB GLN 5 -20.023 -34.594 -40.387 37 HB3 GLN 5 1HB GLN 5 -19.245 -35.560 -39.134 38 HG2 GLN 5 2HG GLN 5 -19.355 -33.623 -37.590 39 HG3 GLN 5 1HG GLN 5 -20.176 -32.688 -38.840 40 HE21 GLN 5 1HE2 GLN 5 -22.410 -32.718 -38.626 41 HE22 GLN 5 2HE2 GLN 5 -23.312 -33.986 -37.949 42 H ALA 6 H ALA 6 -15.657 -33.024 -39.754 43 HA ALA 6 HA ALA 6 -15.375 -33.471 -36.834 44 HB1 ALA 6 1HB ALA 6 -14.555 -35.547 -37.476 45 HB2 ALA 6 2HB ALA 6 -13.075 -34.594 -37.588 46 HB3 ALA 6 3HB ALA 6 -14.005 -34.955 -39.043 47 H LYS 7 H LYS 7 -13.788 -32.091 -35.920 48 HA LYS 7 HA LYS 7 -12.437 -30.152 -35.798 49 HB2 LYS 7 2HB LYS 7 -11.124 -31.974 -37.146 50 HB3 LYS 7 1HB LYS 7 -11.447 -30.937 -38.536 51 HG2 LYS 7 2HG LYS 7 -10.356 -29.056 -37.447 52 HG3 LYS 7 1HG LYS 7 -10.137 -29.997 -35.970 53 HD2 LYS 7 2HD LYS 7 -8.713 -31.597 -37.197 54 HD3 LYS 7 1HD LYS 7 -8.924 -30.651 -38.670 55 HE2 LYS 7 2HE LYS 7 -7.851 -28.708 -37.606 56 HE3 LYS 7 1HE LYS 7 -7.659 -29.631 -36.102 57 HZ1 LYS 7 3HZ LYS 7 -6.473 -31.339 -37.420 58 HZ2 LYS 7 1HZ LYS 7 -5.656 -29.853 -37.372 59 HZ3 LYS 7 2HZ LYS 7 -6.522 -30.300 -38.764 60 H ALA 8 H ALA 8 -14.875 -29.321 -36.438 61 HA ALA 8 HA ALA 8 -15.336 -28.165 -39.000 62 HB1 ALA 8 1HB ALA 8 -16.365 -26.758 -36.598 63 HB2 ALA 8 2HB ALA 8 -16.716 -28.485 -36.678 64 HB3 ALA 8 3HB ALA 8 -17.245 -27.415 -37.978 65 HA PRO 9 HA PRO 9 -12.547 -24.737 -38.947 66 HB2 PRO 9 2HB PRO 9 -13.796 -23.077 -40.727 67 HB3 PRO 9 1HB PRO 9 -12.906 -24.531 -41.219 68 HG2 PRO 9 2HG PRO 9 -15.836 -24.117 -40.918 69 HG3 PRO 9 1HG PRO 9 -14.945 -25.041 -42.137 70 HD2 PRO 9 2HD PRO 9 -16.224 -26.181 -40.015 71 HD3 PRO 9 1HD PRO 9 -14.813 -26.903 -40.817 72 H GLU 10 H GLU 10 -15.905 -24.427 -38.085 73 HA GLU 10 HA GLU 10 -15.540 -21.665 -37.044 74 HB2 GLU 10 2HB GLU 10 -17.904 -23.543 -37.345 75 HB3 GLU 10 1HB GLU 10 -18.023 -21.908 -36.693 76 HG2 GLU 10 2HG GLU 10 -16.934 -22.590 -39.440 77 HG3 GLU 10 1HG GLU 10 -18.571 -22.017 -39.128 78 H SER 11 H SER 11 -14.810 -21.509 -34.977 79 HA SER 11 HA SER 11 -16.017 -23.152 -32.845 80 HB2 SER 11 2HB SER 11 -13.719 -23.910 -32.121 81 HB3 SER 11 1HB SER 11 -14.238 -24.594 -33.659 82 HG SER 11 HG SER 11 -12.943 -23.153 -34.723 83 H LYS 12 H LYS 12 -15.437 -22.276 -30.699 84 HA LYS 12 HA LYS 12 -15.108 -20.450 -29.229 85 HB2 LYS 12 2HB LYS 12 -12.786 -21.131 -30.462 86 HB3 LYS 12 1HB LYS 12 -12.904 -19.440 -30.949 87 HG2 LYS 12 2HG LYS 12 -13.082 -18.731 -28.634 88 HG3 LYS 12 1HG LYS 12 -13.141 -20.409 -28.087 89 HD2 LYS 12 2HD LYS 12 -10.880 -20.791 -28.984 90 HD3 LYS 12 1HD LYS 12 -10.815 -19.119 -29.543 91 HE2 LYS 12 2HE LYS 12 -11.035 -18.318 -27.217 92 HE3 LYS 12 1HE LYS 12 -11.104 -19.999 -26.648 93 HZ1 LYS 12 3HZ LYS 12 -8.835 -19.166 -26.567 94 HZ2 LYS 12 1HZ LYS 12 -8.891 -18.787 -28.220 95 HZ3 LYS 12 2HZ LYS 12 -8.971 -20.409 -27.718 96 H ASP 13 H ASP 13 -17.209 -19.617 -30.336 97 HA ASP 13 HA ASP 13 -17.113 -17.583 -32.361 98 HB2 ASP 13 2HB ASP 13 -19.111 -18.900 -31.621 99 HB3 ASP 13 1HB ASP 13 -19.106 -17.995 -30.107 100 H SER 14 H SER 14 -16.566 -15.448 -32.200 101 HA SER 14 HA SER 14 -15.879 -13.396 -31.264 102 HB2 SER 14 2HB SER 14 -18.245 -14.237 -30.046 103 HB3 SER 14 1HB SER 14 -17.211 -13.802 -28.689 104 HG SER 14 HG SER 14 -18.525 -12.200 -30.327 105 HA PRO 15 HA PRO 15 -12.497 -14.227 -28.569 106 HB2 PRO 15 2HB PRO 15 -12.145 -11.859 -27.250 107 HB3 PRO 15 1HB PRO 15 -11.750 -12.072 -28.967 108 HG2 PRO 15 2HG PRO 15 -14.095 -10.760 -27.714 109 HG3 PRO 15 1HG PRO 15 -13.229 -10.349 -29.201 110 HD2 PRO 15 2HD PRO 15 -15.645 -11.676 -29.101 111 HD3 PRO 15 1HD PRO 15 -14.512 -11.729 -30.468 112 H ARG 16 H ARG 16 -12.696 -15.561 -26.802 113 HA ARG 16 HA ARG 16 -14.781 -15.409 -24.843 114 HB2 ARG 16 2HB ARG 16 -13.444 -17.423 -25.454 115 HB3 ARG 16 1HB ARG 16 -12.031 -16.693 -24.690 116 HG2 ARG 16 2HG ARG 16 -13.232 -16.618 -22.533 117 HG3 ARG 16 1HG ARG 16 -14.642 -17.356 -23.293 118 HD2 ARG 16 2HD ARG 16 -13.215 -19.338 -23.899 119 HD3 ARG 16 1HD ARG 16 -11.895 -18.613 -22.958 120 HE ARG 16 HE ARG 16 -13.265 -18.832 -20.950 121 HH11 ARG 16 1HH1 ARG 16 -13.700 -21.179 -23.236 122 HH12 ARG 16 2HH1 ARG 16 -15.259 -21.704 -22.693 123 HH21 ARG 16 1HH2 ARG 16 -15.679 -19.058 -20.491 124 HH22 ARG 16 2HH2 ARG 16 -16.379 -20.504 -21.139 125 H ALA 17 H ALA 17 -11.384 -14.336 -24.755 126 HA ALA 17 HA ALA 17 -11.987 -12.237 -22.800 127 HB1 ALA 17 1HB ALA 17 -11.701 -14.664 -21.715 128 HB2 ALA 17 2HB ALA 17 -11.040 -13.233 -20.925 129 HB3 ALA 17 3HB ALA 17 -9.990 -14.272 -21.886 130 H SER 18 H SER 18 -10.926 -11.998 -25.334 131 HA SER 18 HA SER 18 -8.101 -12.161 -25.655 132 HB2 SER 18 2HB SER 18 -10.205 -10.255 -26.703 133 HB3 SER 18 1HB SER 18 -8.553 -10.281 -27.303 134 HG SER 18 HG SER 18 -10.272 -12.543 -27.239 135 H LEU 19 H LEU 19 -10.133 -9.591 -24.250 136 HA LEU 19 HA LEU 19 -7.903 -7.765 -23.826 137 HB2 LEU 19 2HB LEU 19 -10.825 -7.812 -22.981 138 HB3 LEU 19 1HB LEU 19 -9.743 -6.434 -22.732 139 HG LEU 19 HG LEU 19 -9.601 -7.557 -25.464 140 HD11 LEU 19 1HD1 LEU 19 -12.159 -6.217 -24.515 141 HD12 LEU 19 2HD1 LEU 19 -11.956 -7.757 -25.346 142 HD13 LEU 19 3HD1 LEU 19 -11.647 -6.255 -26.208 143 HD21 LEU 19 3HD2 LEU 19 -9.015 -5.418 -26.005 144 HD22 LEU 19 1HD2 LEU 19 -8.600 -5.390 -24.295 145 HD23 LEU 19 2HD2 LEU 19 -10.116 -4.669 -24.849 146 H ILE 20 H ILE 20 -6.860 -7.301 -21.971 147 HA ILE 20 HA ILE 20 -6.814 -9.428 -19.977 148 HB ILE 20 HB ILE 20 -4.806 -8.438 -21.040 149 HG12 ILE 20 2HG1 ILE 20 -3.652 -7.885 -18.760 150 HG13 ILE 20 1HG1 ILE 20 -5.223 -8.307 -18.071 151 HG21 ILE 20 1HG2 ILE 20 -6.036 -6.030 -20.728 152 HG22 ILE 20 2HG2 ILE 20 -4.306 -6.217 -21.013 153 HG23 ILE 20 3HG2 ILE 20 -4.913 -5.998 -19.371 154 HD11 ILE 20 3HD1 ILE 20 -3.755 -10.298 -18.193 155 HD12 ILE 20 1HD1 ILE 20 -3.603 -10.068 -19.935 156 HD13 ILE 20 2HD1 ILE 20 -5.168 -10.476 -19.233 157 HA PRO 21 HA PRO 21 -9.650 -6.935 -17.525 158 HB2 PRO 21 2HB PRO 21 -10.080 -8.814 -15.577 159 HB3 PRO 21 1HB PRO 21 -10.915 -8.832 -17.143 160 HG2 PRO 21 2HG PRO 21 -8.572 -10.425 -16.232 161 HG3 PRO 21 1HG PRO 21 -9.954 -10.917 -17.222 162 HD2 PRO 21 2HD PRO 21 -7.513 -10.343 -18.261 163 HD3 PRO 21 1HD PRO 21 -9.032 -10.100 -19.154 164 H ASP 22 H ASP 22 -6.679 -8.502 -16.586 165 HA ASP 22 HA ASP 22 -5.070 -7.996 -14.952 166 HB2 ASP 22 2HB ASP 22 -5.923 -5.690 -16.195 167 HB3 ASP 22 1HB ASP 22 -6.155 -5.290 -14.493 168 H ALA 23 H ALA 23 -7.521 -9.221 -14.023 169 HA ALA 23 HA ALA 23 -8.214 -7.841 -11.492 170 HB1 ALA 23 1HB ALA 23 -9.243 -10.058 -13.199 171 HB2 ALA 23 2HB ALA 23 -10.125 -8.752 -12.407 172 HB3 ALA 23 3HB ALA 23 -9.601 -10.154 -11.474 173 H THR 24 H THR 24 -5.975 -8.138 -10.611 174 HA THR 24 HA THR 24 -5.556 -10.919 -9.560 175 HB THR 24 HB THR 24 -3.522 -8.773 -10.256 176 HG1 THR 24 1HG THR 24 -4.309 -11.157 -11.575 177 HG21 THR 24 3HG2 THR 24 -2.811 -11.641 -9.918 178 HG22 THR 24 1HG2 THR 24 -3.183 -10.738 -8.450 179 HG23 THR 24 2HG2 THR 24 -1.883 -10.196 -9.513 180 H HIS 25 H HIS 25 -5.556 -11.046 -7.353 181 HA HIS 25 HA HIS 25 -5.506 -8.505 -5.774 182 HB2 HIS 25 2HB HIS 25 -6.594 -11.295 -5.395 183 HB3 HIS 25 1HB HIS 25 -6.420 -10.201 -4.024 184 HD2 HIS 25 2HD HIS 25 -8.224 -8.008 -4.009 185 HE1 HIS 25 1HE HIS 25 -10.393 -9.199 -7.433 186 HE2 HIS 25 2HE HIS 25 -10.334 -7.581 -5.481 187 H LEU 26 H LEU 26 -3.564 -8.076 -4.796 188 HA LEU 26 HA LEU 26 -1.444 -8.413 -3.814 189 HB2 LEU 26 2HB LEU 26 -3.118 -10.740 -2.837 190 HB3 LEU 26 1HB LEU 26 -1.504 -10.412 -2.209 191 HG LEU 26 HG LEU 26 -3.727 -8.359 -2.237 192 HD11 LEU 26 1HD1 LEU 26 -2.913 -10.424 -0.197 193 HD12 LEU 26 2HD1 LEU 26 -4.533 -9.995 -0.747 194 HD13 LEU 26 3HD1 LEU 26 -3.641 -8.900 0.310 195 HD21 LEU 26 3HD2 LEU 26 -1.652 -7.246 -2.067 196 HD22 LEU 26 1HD2 LEU 26 -0.938 -8.534 -1.100 197 HD23 LEU 26 2HD2 LEU 26 -2.134 -7.454 -0.383 198 H GLY 27 H GLY 27 -1.867 -11.918 -3.984 199 HA2 GLY 27 2HA GLY 27 -1.034 -13.461 -5.584 200 HA3 GLY 27 1HA GLY 27 -0.344 -12.118 -6.487 201 HA PRO 28 HA PRO 28 3.355 -13.873 -4.609 202 HB2 PRO 28 2HB PRO 28 5.164 -12.417 -6.052 203 HB3 PRO 28 1HB PRO 28 4.339 -13.847 -6.706 204 HG2 PRO 28 2HG PRO 28 3.738 -10.959 -7.127 205 HG3 PRO 28 1HG PRO 28 3.713 -12.297 -8.288 206 HD2 PRO 28 2HD PRO 28 1.467 -11.274 -7.154 207 HD3 PRO 28 1HD PRO 28 1.609 -12.970 -7.668 208 H GLN 29 H GLN 29 4.937 -13.025 -3.104 209 HA GLN 29 HA GLN 29 4.353 -10.229 -2.200 210 HB2 GLN 29 2HB GLN 29 3.802 -12.149 -0.689 211 HB3 GLN 29 1HB GLN 29 5.510 -12.595 -0.688 212 HG2 GLN 29 2HG GLN 29 6.114 -10.457 0.317 213 HG3 GLN 29 1HG GLN 29 4.447 -9.896 0.199 214 HE21 GLN 29 1HE2 GLN 29 5.850 -10.076 2.716 215 HE22 GLN 29 2HE2 GLN 29 5.086 -11.267 3.654 216 H PHE 30 H PHE 30 6.039 -10.133 -4.229 217 HA PHE 30 HA PHE 30 8.797 -9.994 -3.046 218 HB2 PHE 30 2HB PHE 30 7.724 -10.704 -5.784 219 HB3 PHE 30 1HB PHE 30 9.403 -10.212 -5.563 220 HD1 PHE 30 1HD PHE 30 6.867 -12.770 -4.726 221 HD2 PHE 30 2HD PHE 30 10.994 -11.620 -4.419 222 HE1 PHE 30 1HE PHE 30 7.448 -15.057 -3.962 223 HE2 PHE 30 2HE PHE 30 11.575 -13.904 -3.654 224 HZ PHE 30 HZ PHE 30 9.802 -15.624 -3.427 225 H CYS 31 H CYS 31 9.692 -7.927 -3.069 226 HA CYS 31 HA CYS 31 8.067 -5.694 -3.997 227 HB2 CYS 31 2HB CYS 31 9.682 -5.822 -1.995 228 HB3 CYS 31 1HB CYS 31 10.981 -5.650 -3.175 229 HG CYS 31 HG CYS 31 10.344 -3.232 -2.444 230 H LYS 32 H LYS 32 7.961 -5.173 -6.117 231 HA LYS 32 HA LYS 32 10.237 -5.830 -7.921 232 HB2 LYS 32 2HB LYS 32 7.352 -4.993 -8.337 233 HB3 LYS 32 1HB LYS 32 8.482 -5.300 -9.656 234 HG2 LYS 32 2HG LYS 32 8.823 -7.602 -8.834 235 HG3 LYS 32 1HG LYS 32 7.692 -7.297 -7.516 236 HD2 LYS 32 2HD LYS 32 5.884 -6.896 -9.115 237 HD3 LYS 32 1HD LYS 32 7.003 -7.105 -10.463 238 HE2 LYS 32 2HE LYS 32 5.746 -9.193 -10.097 239 HE3 LYS 32 1HE LYS 32 7.448 -9.447 -9.664 240 HZ1 LYS 32 3HZ LYS 32 5.759 -10.184 -7.957 241 HZ2 LYS 32 1HZ LYS 32 5.423 -8.542 -7.697 242 HZ3 LYS 32 2HZ LYS 32 6.981 -9.149 -7.392 243 H SER 33 H SER 33 9.084 -3.178 -6.118 244 HA SER 33 HA SER 33 9.528 -1.057 -8.046 245 HB2 SER 33 2HB SER 33 9.651 -0.807 -5.043 246 HB3 SER 33 1HB SER 33 9.002 0.337 -6.213 247 HG SER 33 HG SER 33 7.186 -0.769 -6.294 248 H CYS 34 H CYS 34 11.388 -1.777 -5.022 249 HA CYS 34 HA CYS 34 13.679 -0.318 -6.108 250 HB2 CYS 34 2HB CYS 34 14.686 -0.781 -3.919 251 HB3 CYS 34 1HB CYS 34 13.044 -0.177 -3.743 252 HG CYS 34 HG CYS 34 12.260 -2.615 -3.192 253 H TRP 35 H TRP 35 13.036 -3.771 -5.356 254 HA TRP 35 HA TRP 35 14.583 -4.865 -7.456 255 HB2 TRP 35 2HB TRP 35 16.614 -5.560 -5.961 256 HB3 TRP 35 1HB TRP 35 16.595 -3.924 -6.610 257 HD1 TRP 35 HD TRP 35 15.025 -5.549 -3.453 258 HE1 TRP 35 1HE TRP 35 15.542 -4.030 -1.434 259 HE3 TRP 35 3HE TRP 35 17.734 -1.892 -5.769 260 HZ2 TRP 35 2HZ TRP 35 16.923 -1.589 -0.875 261 HZ3 TRP 35 3HZ TRP 35 18.635 0.017 -4.472 262 HH2 TRP 35 HH TRP 35 18.234 0.174 -2.030 263 H PHE 36 H PHE 36 15.431 -7.221 -6.681 264 HA PHE 36 HA PHE 36 13.128 -8.445 -5.254 265 HB2 PHE 36 2HB PHE 36 15.493 -9.643 -6.738 266 HB3 PHE 36 1HB PHE 36 14.062 -10.520 -6.204 267 HD1 PHE 36 1HD PHE 36 11.831 -10.012 -7.217 268 HD2 PHE 36 2HD PHE 36 15.472 -8.304 -8.724 269 HE1 PHE 36 1HE PHE 36 10.679 -9.424 -9.332 270 HE2 PHE 36 2HE PHE 36 14.320 -7.713 -10.839 271 HZ PHE 36 HZ PHE 36 11.924 -8.275 -11.144 272 H GLU 37 H GLU 37 13.409 -8.526 -3.049 273 HA GLU 37 HA GLU 37 15.875 -9.807 -1.992 274 HB2 GLU 37 2HB GLU 37 14.830 -7.064 -1.250 275 HB3 GLU 37 1HB GLU 37 15.975 -7.951 -0.248 276 HG2 GLU 37 2HG GLU 37 17.517 -8.104 -2.204 277 HG3 GLU 37 1HG GLU 37 16.393 -7.114 -3.130 278 H ASN 38 H ASN 38 12.596 -8.566 -1.323 279 HA ASN 38 HA ASN 38 10.944 -9.298 0.188 280 HB2 ASN 38 2HB ASN 38 12.583 -11.751 -0.444 281 HB3 ASN 38 1HB ASN 38 11.211 -11.852 0.658 282 HD21 ASN 38 1HD2 ASN 38 9.596 -12.826 -0.604 283 HD22 ASN 38 2HD2 ASN 38 9.086 -12.249 -2.116 284 H LYS 39 H LYS 39 13.601 -8.244 1.220 285 HA LYS 39 HA LYS 39 14.257 -9.663 3.656 286 HB2 LYS 39 2HB LYS 39 14.748 -6.868 2.600 287 HB3 LYS 39 1HB LYS 39 15.456 -7.460 4.104 288 HG2 LYS 39 2HG LYS 39 15.767 -8.891 1.455 289 HG3 LYS 39 1HG LYS 39 16.938 -7.716 2.055 290 HD2 LYS 39 2HD LYS 39 17.242 -9.086 4.097 291 HD3 LYS 39 1HD LYS 39 16.096 -10.267 3.467 292 HE2 LYS 39 2HE LYS 39 17.560 -10.689 1.529 293 HE3 LYS 39 1HE LYS 39 18.717 -9.490 2.141 294 HZ1 LYS 39 3HZ LYS 39 18.708 -10.779 4.270 295 HZ2 LYS 39 1HZ LYS 39 19.417 -11.590 2.960 296 HZ3 LYS 39 2HZ LYS 39 17.848 -12.002 3.463 297 H GLY 40 H GLY 40 12.227 -6.811 2.968 298 HA2 GLY 40 2HA GLY 40 10.700 -7.321 5.443 299 HA3 GLY 40 1HA GLY 40 11.534 -5.767 5.360 300 H LEU 41 H LEU 41 9.690 -7.726 3.008 301 HA LEU 41 HA LEU 41 8.508 -5.351 1.797 302 HB2 LEU 41 2HB LEU 41 9.137 -7.383 0.562 303 HB3 LEU 41 1HB LEU 41 7.938 -8.302 1.473 304 HG LEU 41 HG LEU 41 6.994 -5.823 0.119 305 HD11 LEU 41 1HD1 LEU 41 7.099 -8.303 -1.534 306 HD12 LEU 41 2HD1 LEU 41 8.576 -7.349 -1.399 307 HD13 LEU 41 3HD1 LEU 41 7.106 -6.614 -2.041 308 HD21 LEU 41 3HD2 LEU 41 5.973 -8.486 0.987 309 HD22 LEU 41 1HD2 LEU 41 5.197 -7.755 -0.416 310 HD23 LEU 41 2HD2 LEU 41 5.221 -6.896 1.123 311 H VAL 42 H VAL 42 6.580 -4.447 2.233 312 HA VAL 42 HA VAL 42 4.735 -5.827 4.150 313 HB VAL 42 HB VAL 42 4.023 -3.476 4.705 314 HG11 VAL 42 1HG1 VAL 42 5.984 -4.826 5.796 315 HG12 VAL 42 2HG1 VAL 42 5.793 -3.116 6.184 316 HG13 VAL 42 3HG1 VAL 42 7.007 -3.624 5.010 317 HG21 VAL 42 3HG2 VAL 42 6.469 -2.561 3.188 318 HG22 VAL 42 1HG2 VAL 42 5.155 -1.586 3.842 319 HG23 VAL 42 2HG2 VAL 42 4.881 -2.591 2.424 320 H GLU 43 H GLU 43 2.641 -6.157 3.394 321 HA GLU 43 HA GLU 43 2.172 -5.775 0.553 322 HB2 GLU 43 2HB GLU 43 0.657 -6.906 2.890 323 HB3 GLU 43 1HB GLU 43 -0.122 -6.733 1.317 324 HG2 GLU 43 2HG GLU 43 1.601 -8.079 0.260 325 HG3 GLU 43 1HG GLU 43 2.500 -8.180 1.773 326 H CYS 44 H CYS 44 1.669 -3.819 -0.227 327 HA CYS 44 HA CYS 44 0.108 -1.778 1.190 328 HB2 CYS 44 2HB CYS 44 1.862 -1.732 -0.863 329 HB3 CYS 44 1HB CYS 44 0.391 -1.953 -1.803 330 HG CYS 44 HG CYS 44 -0.501 0.290 -0.551 331 H ASN 45 H ASN 45 -2.152 -1.175 -0.108 332 HA ASN 45 HA ASN 45 -3.970 -3.306 0.198 333 HB2 ASN 45 2HB ASN 45 -4.579 -0.937 -0.072 334 HB3 ASN 45 1HB ASN 45 -4.029 -0.969 -1.747 335 HD21 ASN 45 1HD2 ASN 45 -6.816 -1.150 0.083 336 HD22 ASN 45 2HD2 ASN 45 -7.791 -2.037 -0.988 337 H ASN 46 H ASN 46 -3.110 -2.118 -3.071 338 HA ASN 46 HA ASN 46 -3.209 -4.942 -4.066 339 HB2 ASN 46 2HB ASN 46 -3.839 -3.893 -6.221 340 HB3 ASN 46 1HB ASN 46 -4.942 -3.429 -4.927 341 HD21 ASN 46 1HD2 ASN 46 -4.692 -1.232 -4.011 342 HD22 ASN 46 2HD2 ASN 46 -3.926 -0.014 -4.911 343 H HIS 47 H HIS 47 -0.798 -3.478 -2.911 344 HA HIS 47 HA HIS 47 1.048 -3.973 -5.197 345 HB2 HIS 47 2HB HIS 47 0.769 -1.735 -5.651 346 HB3 HIS 47 1HB HIS 47 0.154 -1.394 -4.047 347 HD2 HIS 47 2HD HIS 47 3.864 -2.499 -5.038 348 HE1 HIS 47 1HE HIS 47 4.014 1.051 -2.756 349 HE2 HIS 47 2HE HIS 47 5.396 -0.764 -3.862 350 H TYR 48 H TYR 48 3.312 -4.253 -4.461 351 HA TYR 48 HA TYR 48 3.531 -4.744 -1.506 352 HB2 TYR 48 2HB TYR 48 5.494 -6.168 -3.158 353 HB3 TYR 48 1HB TYR 48 4.398 -6.798 -1.941 354 HD1 TYR 48 1HD TYR 48 2.080 -7.457 -2.565 355 HD2 TYR 48 2HD TYR 48 4.994 -6.273 -5.480 356 HE1 TYR 48 1HE TYR 48 0.683 -8.453 -4.362 357 HE2 TYR 48 2HE TYR 48 3.605 -7.267 -7.282 358 HH TYR 48 HH TYR 48 0.577 -7.850 -7.144 359 H LEU 49 H LEU 49 4.906 -3.378 -0.525 360 HA LEU 49 HA LEU 49 7.387 -2.511 -1.954 361 HB2 LEU 49 2HB LEU 49 5.468 -0.764 -1.816 362 HB3 LEU 49 1HB LEU 49 5.798 -0.734 -0.086 363 HG LEU 49 HG LEU 49 8.218 -0.255 -0.642 364 HD11 LEU 49 1HD1 LEU 49 7.036 0.129 -3.408 365 HD12 LEU 49 2HD1 LEU 49 8.251 -1.061 -2.947 366 HD13 LEU 49 3HD1 LEU 49 8.645 0.656 -2.928 367 HD21 LEU 49 3HD2 LEU 49 7.854 2.101 -1.004 368 HD22 LEU 49 1HD2 LEU 49 6.506 1.512 -0.031 369 HD23 LEU 49 2HD2 LEU 49 6.289 1.799 -1.758 370 H CYS 50 H CYS 50 9.197 -2.198 -0.408 371 HA CYS 50 HA CYS 50 8.636 -3.499 2.225 372 HB2 CYS 50 2HB CYS 50 10.946 -4.323 2.092 373 HB3 CYS 50 1HB CYS 50 10.053 -4.769 0.642 374 HG CYS 50 HG CYS 50 12.538 -3.575 0.273 375 H LEU 51 H LEU 51 9.987 -2.778 4.021 376 HA LEU 51 HA LEU 51 9.825 -0.003 4.492 377 HB2 LEU 51 2HB LEU 51 10.072 -2.054 6.071 378 HB3 LEU 51 1HB LEU 51 11.807 -1.823 5.848 379 HG LEU 51 HG LEU 51 11.451 0.603 6.523 380 HD11 LEU 51 1HD1 LEU 51 8.786 -0.516 7.448 381 HD12 LEU 51 2HD1 LEU 51 8.999 0.641 6.136 382 HD13 LEU 51 3HD1 LEU 51 9.400 1.102 7.788 383 HD21 LEU 51 3HD2 LEU 51 10.833 -1.624 8.485 384 HD22 LEU 51 1HD2 LEU 51 11.263 0.018 8.961 385 HD23 LEU 51 2HD2 LEU 51 12.425 -0.980 8.085 386 H ASN 52 H ASN 52 12.445 -1.903 3.106 387 HA ASN 52 HA ASN 52 14.605 -0.096 3.467 388 HB2 ASN 52 2HB ASN 52 13.854 -2.108 1.345 389 HB3 ASN 52 1HB ASN 52 15.388 -1.252 1.291 390 HD21 ASN 52 1HD2 ASN 52 15.229 -4.107 1.654 391 HD22 ASN 52 2HD2 ASN 52 15.800 -4.472 3.211 392 H CYS 53 H CYS 53 12.310 -0.323 0.684 393 HA CYS 53 HA CYS 53 13.340 2.283 -0.316 394 HB2 CYS 53 2HB CYS 53 12.036 1.726 -2.327 395 HB3 CYS 53 1HB CYS 53 13.083 0.388 -1.867 396 HG CYS 53 HG CYS 53 10.342 0.008 -0.654 397 H LEU 54 H LEU 54 10.523 0.853 1.184 398 HA LEU 54 HA LEU 54 8.597 2.907 0.712 399 HB2 LEU 54 2HB LEU 54 8.047 0.705 1.595 400 HB3 LEU 54 1HB LEU 54 9.064 0.974 3.004 401 HG LEU 54 HG LEU 54 6.835 2.882 2.440 402 HD11 LEU 54 1HD1 LEU 54 5.614 0.853 2.303 403 HD12 LEU 54 2HD1 LEU 54 5.452 1.347 3.988 404 HD13 LEU 54 3HD1 LEU 54 6.603 0.087 3.546 405 HD21 LEU 54 3HD2 LEU 54 6.889 2.447 5.119 406 HD22 LEU 54 1HD2 LEU 54 7.917 3.638 4.323 407 HD23 LEU 54 2HD2 LEU 54 8.557 2.042 4.714 408 H THR 55 H THR 55 10.965 2.494 3.360 409 HA THR 55 HA THR 55 10.204 4.841 4.831 410 HB THR 55 HB THR 55 12.794 3.284 4.631 411 HG1 THR 55 1HG THR 55 10.617 3.182 6.435 412 HG21 THR 55 3HG2 THR 55 13.441 5.289 5.684 413 HG22 THR 55 1HG2 THR 55 13.030 4.242 7.044 414 HG23 THR 55 2HG2 THR 55 11.887 5.468 6.496 415 H LEU 56 H LEU 56 12.749 4.311 2.360 416 HA LEU 56 HA LEU 56 13.879 6.930 2.444 417 HB2 LEU 56 2HB LEU 56 13.640 4.827 0.275 418 HB3 LEU 56 1HB LEU 56 14.626 6.278 0.095 419 HG LEU 56 HG LEU 56 14.936 4.357 2.415 420 HD11 LEU 56 1HD1 LEU 56 16.840 4.476 0.097 421 HD12 LEU 56 2HD1 LEU 56 15.388 3.484 -0.034 422 HD13 LEU 56 3HD1 LEU 56 16.562 3.165 1.244 423 HD21 LEU 56 3HD2 LEU 56 16.716 5.664 3.046 424 HD22 LEU 56 1HD2 LEU 56 15.816 6.911 2.186 425 HD23 LEU 56 2HD2 LEU 56 17.140 6.072 1.384 426 H LEU 57 H LEU 57 11.222 5.629 0.425 427 HA LEU 57 HA LEU 57 10.686 8.409 -0.562 428 HB2 LEU 57 2HB LEU 57 11.031 6.212 -2.003 429 HB3 LEU 57 1HB LEU 57 9.345 5.921 -1.577 430 HG LEU 57 HG LEU 57 9.991 8.664 -2.518 431 HD11 LEU 57 1HD1 LEU 57 9.889 6.295 -4.405 432 HD12 LEU 57 2HD1 LEU 57 11.333 7.240 -4.040 433 HD13 LEU 57 3HD1 LEU 57 9.973 7.993 -4.876 434 HD21 LEU 57 3HD2 LEU 57 7.844 7.829 -3.938 435 HD22 LEU 57 1HD2 LEU 57 7.709 8.461 -2.299 436 HD23 LEU 57 2HD2 LEU 57 7.733 6.718 -2.573 437 H LEU 58 H LEU 58 9.774 6.885 2.099 438 HA LEU 58 HA LEU 58 7.816 6.881 3.437 439 HB2 LEU 58 2HB LEU 58 7.333 9.030 1.397 440 HB3 LEU 58 1HB LEU 58 5.991 8.519 2.411 441 HG LEU 58 HG LEU 58 8.619 9.082 3.709 442 HD11 LEU 58 1HD1 LEU 58 7.574 10.967 1.995 443 HD12 LEU 58 2HD1 LEU 58 8.558 11.342 3.410 444 HD13 LEU 58 3HD1 LEU 58 6.799 11.401 3.517 445 HD21 LEU 58 3HD2 LEU 58 5.739 8.916 4.408 446 HD22 LEU 58 1HD2 LEU 58 6.658 10.165 5.250 447 HD23 LEU 58 2HD2 LEU 58 7.157 8.478 5.361 448 H SER 59 H SER 59 5.856 5.625 3.493 449 HA SER 59 HA SER 59 5.448 3.830 1.235 450 HB2 SER 59 2HB SER 59 3.374 4.291 3.367 451 HB3 SER 59 1HB SER 59 3.918 2.775 2.659 452 HG SER 59 HG SER 59 4.680 3.135 4.818 453 H VAL 60 H VAL 60 3.245 6.176 2.753 454 HA VAL 60 HA VAL 60 2.479 7.263 0.098 455 HB VAL 60 HB VAL 60 0.081 6.943 0.644 456 HG11 VAL 60 1HG1 VAL 60 1.545 4.300 0.778 457 HG12 VAL 60 2HG1 VAL 60 1.421 5.262 -0.694 458 HG13 VAL 60 3HG1 VAL 60 -0.035 4.620 0.064 459 HG21 VAL 60 3HG2 VAL 60 -0.142 6.763 2.946 460 HG22 VAL 60 1HG2 VAL 60 1.266 5.713 3.107 461 HG23 VAL 60 2HG2 VAL 60 -0.248 5.066 2.481 462 H SER 61 H SER 61 4.000 8.735 1.709 463 HA SER 61 HA SER 61 2.909 10.102 3.922 464 HB2 SER 61 2HB SER 61 4.527 11.845 3.338 465 HB3 SER 61 1HB SER 61 5.231 10.269 2.995 466 HG SER 61 HG SER 61 4.176 12.194 1.225 467 H ASN 62 H ASN 62 2.383 10.577 0.495 468 HA ASN 62 HA ASN 62 0.100 12.403 1.130 469 HB2 ASN 62 2HB ASN 62 2.088 13.582 0.168 470 HB3 ASN 62 1HB ASN 62 2.011 12.513 -1.233 471 HD21 ASN 62 1HD2 ASN 62 1.655 15.416 -1.361 472 HD22 ASN 62 2HD2 ASN 62 0.071 15.702 -1.900 473 H ARG 63 H ARG 63 1.550 10.392 -1.435 474 HA ARG 63 HA ARG 63 -1.044 8.980 -1.849 475 HB2 ARG 63 2HB ARG 63 0.319 10.940 -3.650 476 HB3 ARG 63 1HB ARG 63 -0.465 9.553 -4.402 477 HG2 ARG 63 2HG ARG 63 -2.591 10.158 -3.575 478 HG3 ARG 63 1HG ARG 63 -1.911 11.251 -2.376 479 HD2 ARG 63 2HD ARG 63 -2.838 12.547 -4.243 480 HD3 ARG 63 1HD ARG 63 -1.072 12.708 -4.213 481 HE ARG 63 HE ARG 63 -1.826 10.437 -5.815 482 HH11 ARG 63 1HH1 ARG 63 -1.560 13.924 -5.850 483 HH12 ARG 63 2HH1 ARG 63 -1.515 14.005 -7.576 484 HH21 ARG 63 1HH2 ARG 63 -1.829 10.596 -8.055 485 HH22 ARG 63 2HH2 ARG 63 -1.663 12.145 -8.812 486 H CYS 64 H CYS 64 -0.769 6.967 -3.004 487 HA CYS 64 HA CYS 64 2.033 5.957 -3.094 488 HB2 CYS 64 2HB CYS 64 -0.107 4.853 -2.009 489 HB3 CYS 64 1HB CYS 64 -0.468 4.377 -3.659 490 HG CYS 64 HG CYS 64 1.358 2.681 -3.575 491 HA PRO 65 HA PRO 65 1.610 7.184 -7.419 492 HB2 PRO 65 2HB PRO 65 4.134 6.486 -8.221 493 HB3 PRO 65 1HB PRO 65 3.765 7.979 -7.335 494 HG2 PRO 65 2HG PRO 65 4.840 5.392 -6.313 495 HG3 PRO 65 1HG PRO 65 5.316 7.049 -5.905 496 HD2 PRO 65 2HD PRO 65 3.725 5.563 -4.309 497 HD3 PRO 65 1HD PRO 65 3.567 7.331 -4.434 498 H ILE 66 H ILE 66 2.880 3.991 -6.468 499 HA ILE 66 HA ILE 66 2.436 2.862 -9.125 500 HB ILE 66 HB ILE 66 4.224 2.159 -7.574 501 HG12 ILE 66 2HG1 ILE 66 2.284 -0.101 -8.095 502 HG13 ILE 66 1HG1 ILE 66 3.233 0.667 -9.368 503 HG21 ILE 66 1HG2 ILE 66 3.631 0.672 -5.688 504 HG22 ILE 66 2HG2 ILE 66 1.926 1.036 -5.952 505 HG23 ILE 66 3HG2 ILE 66 3.035 2.312 -5.447 506 HD11 ILE 66 3HD1 ILE 66 4.568 -0.390 -6.884 507 HD12 ILE 66 1HD1 ILE 66 5.275 -0.083 -8.470 508 HD13 ILE 66 2HD1 ILE 66 4.200 -1.462 -8.235 509 H CYS 67 H CYS 67 0.637 2.874 -6.064 510 HA CYS 67 HA CYS 67 -1.302 0.878 -6.772 511 HB2 CYS 67 2HB CYS 67 -1.109 3.184 -4.887 512 HB3 CYS 67 1HB CYS 67 -2.675 2.419 -5.103 513 HG CYS 67 HG CYS 67 -0.168 0.754 -4.245 514 H LYS 68 H LYS 68 -0.796 4.114 -7.919 515 HA LYS 68 HA LYS 68 -1.982 5.421 -9.477 516 HB2 LYS 68 2HB LYS 68 -2.135 2.767 -10.220 517 HB3 LYS 68 1HB LYS 68 -3.833 3.239 -10.196 518 HG2 LYS 68 2HG LYS 68 -3.402 5.076 -11.720 519 HG3 LYS 68 1HG LYS 68 -1.663 4.781 -11.645 520 HD2 LYS 68 2HD LYS 68 -2.533 3.778 -13.686 521 HD3 LYS 68 1HD LYS 68 -2.065 2.490 -12.575 522 HE2 LYS 68 2HE LYS 68 -4.404 2.210 -11.866 523 HE3 LYS 68 1HE LYS 68 -4.897 3.538 -12.937 524 HZ1 LYS 68 3HZ LYS 68 -3.518 1.045 -13.782 525 HZ2 LYS 68 1HZ LYS 68 -3.945 2.326 -14.806 526 HZ3 LYS 68 2HZ LYS 68 -5.156 1.407 -14.049 527 H MET 69 H MET 69 -3.051 4.925 -6.627 528 HA MET 69 HA MET 69 -5.760 6.037 -7.190 529 HB2 MET 69 2HB MET 69 -5.402 3.448 -6.501 530 HB3 MET 69 1HB MET 69 -5.499 4.172 -4.893 531 HG2 MET 69 2HG MET 69 -7.502 5.016 -6.949 532 HG3 MET 69 1HG MET 69 -7.705 3.440 -6.185 533 HE1 MET 69 3HE MET 69 -8.408 4.006 -2.598 534 HE2 MET 69 1HE MET 69 -6.877 3.507 -3.330 535 HE3 MET 69 2HE MET 69 -8.404 2.953 -4.010 536 HA PRO 70 HA PRO 70 -3.965 8.779 -4.107 537 HB2 PRO 70 2HB PRO 70 -5.777 10.801 -4.369 538 HB3 PRO 70 1HB PRO 70 -4.459 10.534 -5.526 539 HG2 PRO 70 2HG PRO 70 -7.339 9.899 -5.766 540 HG3 PRO 70 1HG PRO 70 -6.178 10.380 -7.009 541 HD2 PRO 70 2HD PRO 70 -7.070 7.792 -6.544 542 HD3 PRO 70 1HD PRO 70 -5.612 8.236 -7.458 543 H LEU 71 H LEU 71 -4.600 9.492 -1.981 544 HA LEU 71 HA LEU 71 -7.319 8.754 -1.007 545 HB2 LEU 71 2HB LEU 71 -6.201 7.483 0.868 546 HB3 LEU 71 1HB LEU 71 -5.969 6.741 -0.713 547 HG LEU 71 HG LEU 71 -3.920 8.746 0.013 548 HD11 LEU 71 1HD1 LEU 71 -3.806 6.066 1.394 549 HD12 LEU 71 2HD1 LEU 71 -4.493 7.484 2.186 550 HD13 LEU 71 3HD1 LEU 71 -2.806 7.491 1.676 551 HD21 LEU 71 3HD2 LEU 71 -3.592 7.472 -1.970 552 HD22 LEU 71 1HD2 LEU 71 -4.004 5.961 -1.161 553 HD23 LEU 71 2HD2 LEU 71 -2.482 6.772 -0.792 554 HA PRO 72 HA PRO 72 -5.373 12.651 0.722 555 HB2 PRO 72 2HB PRO 72 -7.510 14.294 0.240 556 HB3 PRO 72 1HB PRO 72 -6.220 14.010 -0.946 557 HG2 PRO 72 2HG PRO 72 -8.928 12.771 -0.768 558 HG3 PRO 72 1HG PRO 72 -8.050 13.356 -2.190 559 HD2 PRO 72 2HD PRO 72 -8.189 10.735 -1.559 560 HD3 PRO 72 1HD PRO 72 -6.764 11.450 -2.349 561 H THR 73 H THR 73 -5.896 13.566 2.770 562 HA THR 73 HA THR 73 -8.000 12.100 4.290 563 HB THR 73 HB THR 73 -6.702 13.134 6.222 564 HG1 THR 73 1HG THR 73 -5.873 14.857 4.878 565 HG21 THR 73 3HG2 THR 73 -4.806 11.669 4.411 566 HG22 THR 73 1HG2 THR 73 -6.253 10.856 5.007 567 HG23 THR 73 2HG2 THR 73 -5.059 11.479 6.146 568 H LYS 74 H LYS 74 -9.798 13.178 5.075 569 HA LYS 74 HA LYS 74 -10.326 15.907 4.170 570 HB2 LYS 74 2HB LYS 74 -11.807 13.889 5.878 571 HB3 LYS 74 1HB LYS 74 -12.484 15.454 5.428 572 HG2 LYS 74 2HG LYS 74 -12.187 14.882 3.035 573 HG3 LYS 74 1HG LYS 74 -11.558 13.302 3.502 574 HD2 LYS 74 2HD LYS 74 -13.683 12.767 4.619 575 HD3 LYS 74 1HD LYS 74 -14.318 14.356 4.190 576 HE2 LYS 74 2HE LYS 74 -14.074 13.808 1.785 577 HE3 LYS 74 1HE LYS 74 -13.464 12.200 2.222 578 HZ1 LYS 74 3HZ LYS 74 -15.815 12.032 1.894 579 HZ2 LYS 74 1HZ LYS 74 -16.112 13.355 2.912 580 HZ3 LYS 74 2HZ LYS 74 -15.513 11.903 3.561 581 H LEU 75 H LEU 75 -10.619 17.735 5.516 582 HA LEU 75 HA LEU 75 -9.299 17.553 8.199 583 HB2 LEU 75 2HB LEU 75 -9.706 19.824 6.223 584 HB3 LEU 75 1HB LEU 75 -8.906 19.996 7.786 585 HG LEU 75 HG LEU 75 -8.010 18.023 5.671 586 HD11 LEU 75 1HD1 LEU 75 -6.090 19.765 5.475 587 HD12 LEU 75 2HD1 LEU 75 -7.244 20.893 6.186 588 HD13 LEU 75 3HD1 LEU 75 -7.610 20.110 4.649 589 HD21 LEU 75 3HD2 LEU 75 -7.105 17.307 7.702 590 HD22 LEU 75 1HD2 LEU 75 -7.015 18.943 8.353 591 HD23 LEU 75 2HD2 LEU 75 -5.851 18.413 7.140 592 H ARG 76 H ARG 76 -10.563 17.963 9.967 593 HA ARG 76 HA ARG 76 -13.149 19.429 9.585 594 HB2 ARG 76 2HB ARG 76 -14.122 17.748 11.189 595 HB3 ARG 76 1HB ARG 76 -13.598 17.034 9.665 596 HG2 ARG 76 2HG ARG 76 -11.563 17.148 11.831 597 HG3 ARG 76 1HG ARG 76 -12.896 16.019 12.071 598 HD2 ARG 76 2HD ARG 76 -12.213 14.651 10.353 599 HD3 ARG 76 1HD ARG 76 -11.660 16.016 9.361 600 HE ARG 76 HE ARG 76 -9.566 15.952 10.484 601 HH11 ARG 76 1HH1 ARG 76 -11.915 14.289 12.416 602 HH12 ARG 76 2HH1 ARG 76 -10.729 13.357 13.263 603 HH21 ARG 76 1HH2 ARG 76 -8.048 14.575 11.446 604 HH22 ARG 76 2HH2 ARG 76 -8.556 13.519 12.721 605 HA PRO 77 HA PRO 77 -10.570 20.998 13.160 606 HB2 PRO 77 2HB PRO 77 -10.392 23.602 12.348 607 HB3 PRO 77 1HB PRO 77 -9.220 22.360 11.867 608 HG2 PRO 77 2HG PRO 77 -11.488 23.514 10.334 609 HG3 PRO 77 1HG PRO 77 -9.881 23.024 9.778 610 HD2 PRO 77 2HD PRO 77 -12.148 21.529 9.425 611 HD3 PRO 77 1HD PRO 77 -10.506 20.852 9.481 612 H SER 78 H SER 78 -11.473 22.191 14.919 613 HA SER 78 HA SER 78 -14.372 22.571 14.837 614 HB2 SER 78 2HB SER 78 -13.898 23.277 17.238 615 HB3 SER 78 1HB SER 78 -13.327 21.666 16.811 616 HG SER 78 HG SER 78 -11.927 23.720 17.722 617 H ALA 79 H ALA 79 -15.444 24.611 15.243 618 HA ALA 79 HA ALA 79 -13.882 26.986 14.307 619 HB1 ALA 79 1HB ALA 79 -15.695 26.699 12.878 620 HB2 ALA 79 2HB ALA 79 -16.415 27.768 14.083 621 HB3 ALA 79 3HB ALA 79 -16.720 26.032 14.149 622 H ALA 80 H ALA 80 -15.572 25.659 17.046 623 HA ALA 80 HA ALA 80 -15.926 26.483 19.218 624 HB1 ALA 80 1HB ALA 80 -14.225 28.869 18.598 625 HB2 ALA 80 2HB ALA 80 -13.475 27.274 18.509 626 HB3 ALA 80 3HB ALA 80 -14.208 27.822 20.017 627 HA PRO 81 HA PRO 81 -19.108 29.481 18.730 628 HB2 PRO 81 2HB PRO 81 -19.459 30.319 21.307 629 HB3 PRO 81 1HB PRO 81 -19.980 28.720 20.736 630 HG2 PRO 81 2HG PRO 81 -17.576 29.476 22.311 631 HG3 PRO 81 1HG PRO 81 -18.602 28.038 22.432 632 HD2 PRO 81 2HD PRO 81 -16.157 28.086 21.192 633 HD3 PRO 81 1HD PRO 81 -17.445 26.923 20.814 634 H THR 82 H THR 82 -19.481 31.812 18.802 635 HA THR 82 HA THR 82 -17.200 33.508 19.700 636 HB THR 82 HB THR 82 -16.743 32.899 17.365 637 HG1 THR 82 1HG THR 82 -16.662 34.978 16.549 638 HG21 THR 82 3HG2 THR 82 -19.055 32.301 16.728 639 HG22 THR 82 1HG2 THR 82 -18.355 33.447 15.585 640 HG23 THR 82 2HG2 THR 82 -19.510 34.003 16.796 641 H ALA 83 H ALA 83 -17.854 35.716 20.060 642 HA ALA 83 HA ALA 83 -20.547 36.639 19.430 643 HB1 ALA 83 1HB ALA 83 -19.883 35.294 21.992 644 HB2 ALA 83 2HB ALA 83 -21.440 35.457 21.179 645 HB3 ALA 83 3HB ALA 83 -20.804 36.792 22.140 646 HA PRO 84 HA PRO 84 -17.441 39.919 20.294 647 HB2 PRO 84 2HB PRO 84 -18.135 41.522 18.191 648 HB3 PRO 84 1HB PRO 84 -16.986 40.177 18.040 649 HG2 PRO 84 2HG PRO 84 -19.849 40.320 17.256 650 HG3 PRO 84 1HG PRO 84 -18.496 39.503 16.458 651 HD2 PRO 84 2HD PRO 84 -20.370 38.225 17.994 652 HD3 PRO 84 1HD PRO 84 -18.723 37.618 17.719 653 HA PRO 85 HA PRO 85 -20.392 42.508 22.315 654 HB2 PRO 85 2HB PRO 85 -18.975 44.829 22.592 655 HB3 PRO 85 1HB PRO 85 -18.647 43.379 23.561 656 HG2 PRO 85 2HG PRO 85 -17.218 44.416 21.164 657 HG3 PRO 85 1HG PRO 85 -16.567 43.670 22.631 658 HD2 PRO 85 2HD PRO 85 -16.846 42.340 20.271 659 HD3 PRO 85 1HD PRO 85 -16.907 41.542 21.859 660 H THR 86 H THR 86 -22.009 43.957 21.706 661 HA THR 86 HA THR 86 -21.613 45.469 19.144 662 HB THR 86 HB THR 86 -23.975 44.882 18.651 663 HG1 THR 86 1HG THR 86 -24.860 44.585 20.617 664 HG21 THR 86 3HG2 THR 86 -23.476 42.766 17.854 665 HG22 THR 86 1HG2 THR 86 -22.685 42.276 19.353 666 HG23 THR 86 2HG2 THR 86 -21.851 43.345 18.225 667 H GLY 87 H GLY 87 -21.842 45.975 22.340 668 HA2 GLY 87 2HA GLY 87 -22.218 48.136 23.327 669 HA3 GLY 87 1HA GLY 87 -23.296 48.533 21.987 670 H ALA 88 H ALA 88 -23.870 48.722 24.862 671 HA ALA 88 HA ALA 88 -26.476 47.399 24.856 672 HB1 ALA 88 1HB ALA 88 -25.999 45.911 26.734 673 HB2 ALA 88 2HB ALA 88 -24.355 46.539 26.852 674 HB3 ALA 88 3HB ALA 88 -24.837 45.590 25.446 675 H ALA 89 H ALA 89 -27.793 48.148 26.647 676 HA ALA 89 HA ALA 89 -26.623 50.491 28.115 677 HB1 ALA 89 1HB ALA 89 -28.982 51.362 27.986 678 HB2 ALA 89 2HB ALA 89 -29.399 49.954 27.010 679 HB3 ALA 89 3HB ALA 89 -28.236 51.133 26.405 680 H ASP 90 H ASP 90 -27.028 50.595 30.334 681 HA ASP 90 HA ASP 90 -27.626 48.195 31.781 682 HB2 ASP 90 2HB ASP 90 -27.333 51.125 32.376 683 HB3 ASP 90 1HB ASP 90 -27.916 50.055 33.650 684 H SER 91 H SER 91 -29.616 51.030 30.970 685 HA SER 91 HA SER 91 -32.067 49.423 31.350 686 HB2 SER 91 2HB SER 91 -31.504 50.294 33.592 687 HB3 SER 91 1HB SER 91 -31.424 51.929 32.943 688 HG SER 91 HG SER 91 -33.531 50.688 33.868 689 H ILE 92 H ILE 92 -33.837 50.326 30.189 690 HA ILE 92 HA ILE 92 -33.210 52.028 27.964 691 HB ILE 92 HB ILE 92 -35.089 50.238 28.400 692 HG12 ILE 92 2HG1 ILE 92 -34.749 51.393 26.271 693 HG13 ILE 92 1HG1 ILE 92 -36.470 51.260 26.622 694 HG21 ILE 92 1HG2 ILE 92 -36.660 52.727 29.118 695 HG22 ILE 92 2HG2 ILE 92 -36.102 51.562 30.319 696 HG23 ILE 92 3HG2 ILE 92 -37.241 51.063 29.070 697 HD11 ILE 92 3HD1 ILE 92 -36.092 53.642 27.737 698 HD12 ILE 92 1HD1 ILE 92 -36.341 53.493 25.996 699 HD13 ILE 92 2HD1 ILE 92 -34.713 53.689 26.640 700 H ARG 93 H ARG 93 -34.623 52.604 31.124 701 HA ARG 93 HA ARG 93 -35.127 54.570 32.288 702 HB2 ARG 93 2HB ARG 93 -32.930 55.361 30.378 703 HB3 ARG 93 1HB ARG 93 -33.673 56.572 31.422 704 HG2 ARG 93 2HG ARG 93 -33.172 55.157 33.395 705 HG3 ARG 93 1HG ARG 93 -32.370 53.994 32.338 706 HD2 ARG 93 2HD ARG 93 -30.690 55.483 33.339 707 HD3 ARG 93 1HD ARG 93 -30.812 55.833 31.603 708 HE ARG 93 HE ARG 93 -32.401 57.405 33.590 709 HH11 ARG 93 1HH1 ARG 93 -29.414 57.858 32.499 710 HH12 ARG 93 2HH1 ARG 93 -29.728 59.219 31.476 711 HH21 ARG 93 1HH2 ARG 93 -33.174 58.847 31.595 712 HH22 ARG 93 2HH2 ARG 93 -31.858 59.780 30.963 713 HA PRO 94 HA PRO 94 -38.067 55.697 28.895 714 HB2 PRO 94 2HB PRO 94 -40.270 55.754 30.558 715 HB3 PRO 94 1HB PRO 94 -39.736 54.322 29.654 716 HG2 PRO 94 2HG PRO 94 -39.208 55.063 32.498 717 HG3 PRO 94 1HG PRO 94 -39.680 53.498 31.816 718 HD2 PRO 94 2HD PRO 94 -37.129 53.965 32.455 719 HD3 PRO 94 1HD PRO 94 -37.542 53.060 30.982 720 HA PRO 95 HA PRO 95 -38.500 59.677 31.279 721 HB2 PRO 95 2HB PRO 95 -37.693 59.870 33.890 722 HB3 PRO 95 1HB PRO 95 -39.278 59.220 33.425 723 HG2 PRO 95 2HG PRO 95 -37.064 57.831 34.618 724 HG3 PRO 95 1HG PRO 95 -38.673 57.215 34.218 725 HD2 PRO 95 2HD PRO 95 -36.155 57.023 32.681 726 HD3 PRO 95 1HD PRO 95 -37.571 55.981 32.691 727 HA PRO 96 HA PRO 96 -34.357 61.166 30.724 728 HB2 PRO 96 2HB PRO 96 -34.595 63.763 31.543 729 HB3 PRO 96 1HB PRO 96 -35.279 63.173 30.015 730 HG2 PRO 96 2HG PRO 96 -36.628 63.680 32.620 731 HG3 PRO 96 1HG PRO 96 -37.200 63.993 30.974 732 HD2 PRO 96 2HD PRO 96 -37.998 61.858 32.469 733 HD3 PRO 96 1HD PRO 96 -37.954 61.853 30.691 734 H TYR 97 H TYR 97 -32.430 61.624 31.992 735 HA TYR 97 HA TYR 97 -31.099 61.449 33.948 736 HB2 TYR 97 2HB TYR 97 -33.456 63.193 34.663 737 HB3 TYR 97 1HB TYR 97 -32.186 62.875 35.842 738 HD1 TYR 97 2HD TYR 97 -29.800 63.460 35.285 739 HD2 TYR 97 1HD TYR 97 -33.113 64.710 32.856 740 HE1 TYR 97 2HE TYR 97 -28.368 65.181 34.218 741 HE2 TYR 97 1HE TYR 97 -31.681 66.431 31.788 742 HH TYR 97 HH TYR 97 -28.317 66.451 32.070 743 H SER 98 H SER 98 -31.695 61.135 36.627 744 HA SER 98 HA SER 98 -32.274 59.462 38.191 745 HB2 SER 98 2HB SER 98 -34.760 59.245 36.475 746 HB3 SER 98 1HB SER 98 -34.629 58.990 38.213 747 HG SER 98 HG SER 98 -35.468 61.080 37.575 748 HA PRO 99 HA PRO 99 -31.076 56.082 35.296 749 HB2 PRO 99 2HB PRO 99 -29.004 55.133 36.808 750 HB3 PRO 99 1HB PRO 99 -28.825 56.471 35.656 751 HG2 PRO 99 2HG PRO 99 -29.086 56.543 38.614 752 HG3 PRO 99 1HG PRO 99 -28.109 57.556 37.541 753 HD2 PRO 99 2HD PRO 99 -30.486 58.342 38.655 754 HD3 PRO 99 1HD PRO 99 -29.819 59.011 37.150 Start of MODEL 9 1 H1 MET 1 1HT MET 1 -17.360 -56.513 0.842 2 H2 MET 1 2HT MET 1 -17.496 -55.498 -0.514 3 H3 MET 1 3HT MET 1 -17.502 -54.836 1.050 4 HA MET 1 HA MET 1 -15.341 -54.424 0.233 5 HB2 MET 1 2HB MET 1 -15.555 -56.885 1.993 6 HB3 MET 1 1HB MET 1 -14.050 -55.998 1.751 7 HG2 MET 1 2HG MET 1 -15.093 -53.953 2.626 8 HG3 MET 1 1HG MET 1 -16.623 -54.806 2.829 9 HE1 MET 1 2HE MET 1 -12.777 -54.913 5.114 10 HE2 MET 1 3HE MET 1 -13.075 -54.535 3.419 11 HE3 MET 1 1HE MET 1 -12.786 -56.207 3.918 12 H GLY 2 H GLY 2 -14.462 -54.770 -1.768 13 HA2 GLY 2 2HA GLY 2 -14.375 -57.537 -2.850 14 HA3 GLY 2 1HA GLY 2 -14.138 -56.063 -3.791 15 H ASN 3 H ASN 3 -12.538 -56.422 -0.699 16 HA ASN 3 HA ASN 3 -10.237 -56.523 -0.163 17 HB2 ASN 3 2HB ASN 3 -10.811 -58.805 -1.168 18 HB3 ASN 3 1HB ASN 3 -10.103 -58.217 -2.673 19 HD21 ASN 3 1HD2 ASN 3 -9.310 -58.736 0.791 20 HD22 ASN 3 2HD2 ASN 3 -7.649 -58.963 0.535 21 H LYS 4 H LYS 4 -11.024 -54.250 -1.704 22 HA LYS 4 HA LYS 4 -9.195 -53.860 -3.951 23 HB2 LYS 4 2HB LYS 4 -10.885 -51.945 -2.307 24 HB3 LYS 4 1HB LYS 4 -10.145 -51.569 -3.863 25 HG2 LYS 4 2HG LYS 4 -12.151 -53.799 -3.411 26 HG3 LYS 4 1HG LYS 4 -12.550 -52.213 -4.072 27 HD2 LYS 4 2HD LYS 4 -10.979 -52.597 -5.940 28 HD3 LYS 4 1HD LYS 4 -10.593 -54.188 -5.285 29 HE2 LYS 4 2HE LYS 4 -12.933 -54.901 -5.560 30 HE3 LYS 4 1HE LYS 4 -13.353 -53.294 -6.190 31 HZ1 LYS 4 3HZ LYS 4 -12.788 -54.968 -7.939 32 HZ2 LYS 4 1HZ LYS 4 -11.203 -54.991 -7.333 33 HZ3 LYS 4 2HZ LYS 4 -11.842 -53.558 -7.984 34 H GLN 5 H GLN 5 -7.254 -52.690 -3.938 35 HA GLN 5 HA GLN 5 -6.170 -51.973 -1.232 36 HB2 GLN 5 2HB GLN 5 -4.816 -52.965 -3.764 37 HB3 GLN 5 1HB GLN 5 -3.972 -52.545 -2.273 38 HG2 GLN 5 2HG GLN 5 -6.129 -54.665 -2.496 39 HG3 GLN 5 1HG GLN 5 -4.396 -54.994 -2.461 40 HE21 GLN 5 1HE2 GLN 5 -6.972 -55.140 -0.459 41 HE22 GLN 5 2HE2 GLN 5 -6.244 -54.731 1.018 42 H ALA 6 H ALA 6 -6.014 -51.117 -4.708 43 HA ALA 6 HA ALA 6 -4.552 -48.674 -4.391 44 HB1 ALA 6 1HB ALA 6 -6.632 -49.389 -6.482 45 HB2 ALA 6 2HB ALA 6 -4.975 -49.996 -6.498 46 HB3 ALA 6 3HB ALA 6 -5.284 -48.268 -6.673 47 H LYS 7 H LYS 7 -8.059 -49.352 -4.425 48 HA LYS 7 HA LYS 7 -9.900 -47.999 -3.808 49 HB2 LYS 7 2HB LYS 7 -7.980 -48.016 -1.842 50 HB3 LYS 7 1HB LYS 7 -8.198 -46.285 -2.101 51 HG2 LYS 7 2HG LYS 7 -10.586 -46.472 -1.715 52 HG3 LYS 7 1HG LYS 7 -10.470 -48.230 -1.623 53 HD2 LYS 7 2HD LYS 7 -9.079 -48.074 0.378 54 HD3 LYS 7 1HD LYS 7 -9.074 -46.312 0.265 55 HE2 LYS 7 2HE LYS 7 -10.753 -47.028 1.916 56 HE3 LYS 7 1HE LYS 7 -11.577 -46.342 0.501 57 HZ1 LYS 7 3HZ LYS 7 -11.984 -48.478 -0.370 58 HZ2 LYS 7 1HZ LYS 7 -12.413 -48.580 1.267 59 HZ3 LYS 7 2HZ LYS 7 -10.935 -49.228 0.736 60 H ALA 8 H ALA 8 -8.555 -47.179 -6.190 61 HA ALA 8 HA ALA 8 -8.041 -44.309 -6.120 62 HB1 ALA 8 1HB ALA 8 -8.633 -46.046 -8.525 63 HB2 ALA 8 2HB ALA 8 -7.084 -46.109 -7.684 64 HB3 ALA 8 3HB ALA 8 -7.612 -44.611 -8.449 65 HA PRO 9 HA PRO 9 -12.191 -42.950 -6.679 66 HB2 PRO 9 2HB PRO 9 -11.779 -40.586 -7.985 67 HB3 PRO 9 1HB PRO 9 -11.415 -40.807 -6.262 68 HG2 PRO 9 2HG PRO 9 -9.577 -40.803 -8.599 69 HG3 PRO 9 1HG PRO 9 -9.339 -40.149 -6.971 70 HD2 PRO 9 2HD PRO 9 -8.289 -42.525 -7.833 71 HD3 PRO 9 1HD PRO 9 -8.638 -42.152 -6.130 72 H GLU 10 H GLU 10 -13.819 -42.763 -8.347 73 HA GLU 10 HA GLU 10 -13.372 -44.295 -10.730 74 HB2 GLU 10 2HB GLU 10 -15.667 -43.569 -11.259 75 HB3 GLU 10 1HB GLU 10 -15.546 -43.975 -9.549 76 HG2 GLU 10 2HG GLU 10 -15.261 -41.573 -9.004 77 HG3 GLU 10 1HG GLU 10 -15.406 -41.176 -10.716 78 H SER 11 H SER 11 -12.995 -43.609 -12.882 79 HA SER 11 HA SER 11 -12.149 -42.189 -14.580 80 HB2 SER 11 2HB SER 11 -14.506 -41.380 -14.180 81 HB3 SER 11 1HB SER 11 -13.855 -40.178 -13.071 82 HG SER 11 HG SER 11 -13.595 -39.028 -14.807 83 H LYS 12 H LYS 12 -11.509 -39.432 -14.486 84 HA LYS 12 HA LYS 12 -9.200 -39.475 -12.584 85 HB2 LYS 12 2HB LYS 12 -9.776 -37.987 -15.164 86 HB3 LYS 12 1HB LYS 12 -8.307 -37.776 -14.210 87 HG2 LYS 12 2HG LYS 12 -7.778 -40.162 -14.467 88 HG3 LYS 12 1HG LYS 12 -9.258 -40.399 -15.397 89 HD2 LYS 12 2HD LYS 12 -8.443 -38.770 -17.080 90 HD3 LYS 12 1HD LYS 12 -6.944 -38.597 -16.167 91 HE2 LYS 12 2HE LYS 12 -7.943 -41.257 -17.242 92 HE3 LYS 12 1HE LYS 12 -6.763 -40.232 -18.083 93 HZ1 LYS 12 3HZ LYS 12 -6.516 -41.403 -15.366 94 HZ2 LYS 12 1HZ LYS 12 -5.477 -40.202 -15.961 95 HZ3 LYS 12 2HZ LYS 12 -5.538 -41.722 -16.718 96 H ASP 13 H ASP 13 -8.895 -37.750 -11.159 97 HA ASP 13 HA ASP 13 -11.211 -35.916 -10.794 98 HB2 ASP 13 2HB ASP 13 -8.831 -36.687 -9.077 99 HB3 ASP 13 1HB ASP 13 -10.097 -35.570 -8.569 100 H SER 14 H SER 14 -8.670 -35.706 -12.729 101 HA SER 14 HA SER 14 -7.358 -33.939 -13.575 102 HB2 SER 14 2HB SER 14 -9.217 -32.173 -11.966 103 HB3 SER 14 1HB SER 14 -8.446 -31.813 -13.509 104 HG SER 14 HG SER 14 -10.769 -32.555 -13.442 105 HA PRO 15 HA PRO 15 -5.406 -33.621 -9.309 106 HB2 PRO 15 2HB PRO 15 -3.207 -35.170 -9.836 107 HB3 PRO 15 1HB PRO 15 -4.728 -35.823 -9.199 108 HG2 PRO 15 2HG PRO 15 -3.678 -35.847 -11.983 109 HG3 PRO 15 1HG PRO 15 -4.564 -37.099 -11.097 110 HD2 PRO 15 2HD PRO 15 -5.721 -35.472 -12.947 111 HD3 PRO 15 1HD PRO 15 -6.605 -36.185 -11.579 112 H ARG 16 H ARG 16 -4.410 -33.143 -12.601 113 HA ARG 16 HA ARG 16 -2.204 -31.320 -11.718 114 HB2 ARG 16 2HB ARG 16 -1.283 -31.749 -13.966 115 HB3 ARG 16 1HB ARG 16 -1.587 -33.270 -13.130 116 HG2 ARG 16 2HG ARG 16 -3.707 -33.541 -14.340 117 HG3 ARG 16 1HG ARG 16 -3.472 -31.986 -15.133 118 HD2 ARG 16 2HD ARG 16 -1.415 -32.848 -16.206 119 HD3 ARG 16 1HD ARG 16 -1.677 -34.418 -15.420 120 HE ARG 16 HE ARG 16 -4.047 -33.507 -16.838 121 HH11 ARG 16 1HH1 ARG 16 -1.927 -36.024 -16.551 122 HH12 ARG 16 2HH1 ARG 16 -1.924 -36.474 -18.222 123 HH21 ARG 16 1HH2 ARG 16 -3.651 -33.650 -19.256 124 HH22 ARG 16 2HH2 ARG 16 -2.904 -35.129 -19.756 125 H ALA 17 H ALA 17 -5.006 -30.514 -11.725 126 HA ALA 17 HA ALA 17 -5.053 -28.604 -14.037 127 HB1 ALA 17 1HB ALA 17 -6.954 -29.936 -14.238 128 HB2 ALA 17 2HB ALA 17 -7.584 -28.627 -13.238 129 HB3 ALA 17 3HB ALA 17 -7.106 -30.153 -12.495 130 H SER 18 H SER 18 -5.527 -26.413 -13.574 131 HA SER 18 HA SER 18 -5.655 -25.643 -10.681 132 HB2 SER 18 2HB SER 18 -3.349 -25.487 -11.622 133 HB3 SER 18 1HB SER 18 -3.954 -24.404 -12.873 134 HG SER 18 HG SER 18 -4.572 -22.965 -11.224 135 H LEU 19 H LEU 19 -6.935 -23.807 -10.278 136 HA LEU 19 HA LEU 19 -8.596 -22.857 -12.573 137 HB2 LEU 19 2HB LEU 19 -8.937 -22.796 -9.555 138 HB3 LEU 19 1HB LEU 19 -10.114 -22.151 -10.700 139 HG LEU 19 HG LEU 19 -9.140 -25.019 -10.743 140 HD11 LEU 19 1HD1 LEU 19 -11.604 -25.341 -9.888 141 HD12 LEU 19 2HD1 LEU 19 -11.418 -23.688 -9.302 142 HD13 LEU 19 3HD1 LEU 19 -10.330 -24.953 -8.732 143 HD21 LEU 19 3HD2 LEU 19 -10.007 -24.458 -12.874 144 HD22 LEU 19 1HD2 LEU 19 -11.269 -23.438 -12.187 145 HD23 LEU 19 2HD2 LEU 19 -11.378 -25.192 -12.043 146 H ILE 20 H ILE 20 -8.803 -20.613 -12.969 147 HA ILE 20 HA ILE 20 -6.755 -18.888 -11.627 148 HB ILE 20 HB ILE 20 -8.066 -18.855 -14.367 149 HG12 ILE 20 2HG1 ILE 20 -5.171 -19.175 -13.529 150 HG13 ILE 20 1HG1 ILE 20 -6.249 -20.530 -13.866 151 HG21 ILE 20 1HG2 ILE 20 -6.306 -17.009 -14.770 152 HG22 ILE 20 2HG2 ILE 20 -6.237 -16.862 -13.015 153 HG23 ILE 20 3HG2 ILE 20 -7.749 -16.550 -13.866 154 HD11 ILE 20 3HD1 ILE 20 -4.947 -20.019 -15.863 155 HD12 ILE 20 1HD1 ILE 20 -5.464 -18.335 -15.802 156 HD13 ILE 20 2HD1 ILE 20 -6.637 -19.607 -16.148 157 HA PRO 21 HA PRO 21 -10.777 -17.237 -10.153 158 HB2 PRO 21 2HB PRO 21 -9.846 -16.441 -7.708 159 HB3 PRO 21 1HB PRO 21 -10.381 -18.100 -8.039 160 HG2 PRO 21 2HG PRO 21 -7.627 -16.997 -7.878 161 HG3 PRO 21 1HG PRO 21 -8.252 -18.563 -7.341 162 HD2 PRO 21 2HD PRO 21 -6.829 -18.196 -9.650 163 HD3 PRO 21 1HD PRO 21 -7.989 -19.518 -9.395 164 H ASP 22 H ASP 22 -11.299 -14.967 -9.477 165 HA ASP 22 HA ASP 22 -9.972 -12.990 -11.050 166 HB2 ASP 22 2HB ASP 22 -12.323 -12.952 -10.173 167 HB3 ASP 22 1HB ASP 22 -11.678 -12.648 -8.558 168 H ALA 23 H ALA 23 -8.361 -11.488 -10.524 169 HA ALA 23 HA ALA 23 -6.532 -12.119 -8.364 170 HB1 ALA 23 1HB ALA 23 -6.284 -10.940 -10.740 171 HB2 ALA 23 2HB ALA 23 -5.195 -10.526 -9.414 172 HB3 ALA 23 3HB ALA 23 -6.565 -9.480 -9.789 173 H THR 24 H THR 24 -8.191 -11.948 -6.575 174 HA THR 24 HA THR 24 -8.839 -9.125 -5.823 175 HB THR 24 HB THR 24 -9.893 -11.757 -4.744 176 HG1 THR 24 1HG THR 24 -11.653 -11.314 -6.125 177 HG21 THR 24 3HG2 THR 24 -11.839 -9.890 -4.384 178 HG22 THR 24 1HG2 THR 24 -10.399 -8.890 -4.200 179 HG23 THR 24 2HG2 THR 24 -10.636 -10.295 -3.160 180 H HIS 25 H HIS 25 -6.230 -10.818 -5.389 181 HA HIS 25 HA HIS 25 -5.859 -9.989 -2.560 182 HB2 HIS 25 2HB HIS 25 -4.988 -12.260 -2.023 183 HB3 HIS 25 1HB HIS 25 -6.678 -12.320 -2.524 184 HD2 HIS 25 2HD HIS 25 -3.126 -13.164 -4.085 185 HE1 HIS 25 1HE HIS 25 -6.109 -15.058 -6.402 186 HE2 HIS 25 2HE HIS 25 -3.610 -14.791 -6.066 187 H LEU 26 H LEU 26 -3.474 -10.276 -1.966 188 HA LEU 26 HA LEU 26 -1.795 -8.947 -3.844 189 HB2 LEU 26 2HB LEU 26 -1.324 -10.602 -1.355 190 HB3 LEU 26 1HB LEU 26 -0.002 -9.793 -2.199 191 HG LEU 26 HG LEU 26 -1.785 -7.751 -2.046 192 HD11 LEU 26 1HD1 LEU 26 -2.463 -9.719 0.084 193 HD12 LEU 26 2HD1 LEU 26 -3.491 -8.535 -0.723 194 HD13 LEU 26 3HD1 LEU 26 -2.393 -8.023 0.558 195 HD21 LEU 26 3HD2 LEU 26 -0.123 -8.282 0.385 196 HD22 LEU 26 1HD2 LEU 26 -0.262 -6.810 -0.579 197 HD23 LEU 26 2HD2 LEU 26 0.693 -8.167 -1.175 198 H GLY 27 H GLY 27 -1.003 -12.201 -2.608 199 HA2 GLY 27 2HA GLY 27 -0.909 -14.166 -4.105 200 HA3 GLY 27 1HA GLY 27 -0.512 -13.071 -5.424 201 HA PRO 28 HA PRO 28 3.712 -14.028 -4.617 202 HB2 PRO 28 2HB PRO 28 4.932 -11.884 -5.795 203 HB3 PRO 28 1HB PRO 28 4.180 -13.192 -6.732 204 HG2 PRO 28 2HG PRO 28 3.125 -10.486 -6.074 205 HG3 PRO 28 1HG PRO 28 3.006 -11.407 -7.580 206 HD2 PRO 28 2HD PRO 28 0.974 -11.211 -5.784 207 HD3 PRO 28 1HD PRO 28 1.198 -12.612 -6.855 208 H GLN 29 H GLN 29 5.477 -13.330 -3.226 209 HA GLN 29 HA GLN 29 4.818 -10.960 -1.509 210 HB2 GLN 29 2HB GLN 29 4.406 -13.249 -0.529 211 HB3 GLN 29 1HB GLN 29 6.134 -13.562 -0.683 212 HG2 GLN 29 2HG GLN 29 6.652 -11.704 0.801 213 HG3 GLN 29 1HG GLN 29 4.953 -11.240 0.866 214 HE21 GLN 29 1HE2 GLN 29 6.447 -11.933 3.236 215 HE22 GLN 29 2HE2 GLN 29 5.791 -13.366 3.866 216 H PHE 30 H PHE 30 6.409 -10.611 -3.722 217 HA PHE 30 HA PHE 30 9.155 -10.324 -2.545 218 HB2 PHE 30 2HB PHE 30 8.229 -11.133 -5.317 219 HB3 PHE 30 1HB PHE 30 9.889 -10.644 -4.972 220 HD1 PHE 30 1HD PHE 30 11.284 -11.960 -3.389 221 HD2 PHE 30 2HD PHE 30 7.381 -13.271 -4.612 222 HE1 PHE 30 1HE PHE 30 11.791 -14.238 -2.554 223 HE2 PHE 30 2HE PHE 30 7.886 -15.552 -3.777 224 HZ PHE 30 HZ PHE 30 10.091 -16.036 -2.748 225 H CYS 31 H CYS 31 9.946 -8.227 -2.703 226 HA CYS 31 HA CYS 31 8.166 -6.129 -3.660 227 HB2 CYS 31 2HB CYS 31 9.777 -5.989 -1.713 228 HB3 CYS 31 1HB CYS 31 11.096 -5.965 -2.885 229 HG CYS 31 HG CYS 31 10.359 -3.476 -2.336 230 H LYS 32 H LYS 32 7.952 -5.730 -5.809 231 HA LYS 32 HA LYS 32 10.243 -6.272 -7.637 232 HB2 LYS 32 2HB LYS 32 7.286 -5.723 -8.048 233 HB3 LYS 32 1HB LYS 32 8.426 -6.023 -9.359 234 HG2 LYS 32 2HG LYS 32 8.978 -8.222 -8.367 235 HG3 LYS 32 1HG LYS 32 7.805 -7.927 -7.083 236 HD2 LYS 32 2HD LYS 32 7.086 -7.906 -10.026 237 HD3 LYS 32 1HD LYS 32 6.935 -9.335 -9.001 238 HE2 LYS 32 2HE LYS 32 5.470 -7.979 -7.450 239 HE3 LYS 32 1HE LYS 32 5.491 -6.686 -8.666 240 HZ1 LYS 32 3HZ LYS 32 3.613 -8.151 -9.045 241 HZ2 LYS 32 1HZ LYS 32 4.640 -9.499 -9.118 242 HZ3 LYS 32 2HZ LYS 32 4.730 -8.299 -10.318 243 H SER 33 H SER 33 8.876 -3.661 -5.937 244 HA SER 33 HA SER 33 9.025 -1.593 -7.955 245 HB2 SER 33 2HB SER 33 7.627 -1.225 -6.093 246 HB3 SER 33 1HB SER 33 8.862 -1.750 -4.954 247 HG SER 33 HG SER 33 9.143 0.346 -4.801 248 H CYS 34 H CYS 34 11.107 -2.029 -5.031 249 HA CYS 34 HA CYS 34 13.167 -0.365 -6.276 250 HB2 CYS 34 2HB CYS 34 14.355 -0.690 -4.151 251 HB3 CYS 34 1HB CYS 34 12.680 -0.233 -3.878 252 HG CYS 34 HG CYS 34 12.161 -2.716 -3.234 253 H TRP 35 H TRP 35 12.942 -3.842 -5.402 254 HA TRP 35 HA TRP 35 14.443 -4.803 -7.606 255 HB2 TRP 35 2HB TRP 35 16.622 -5.268 -6.350 256 HB3 TRP 35 1HB TRP 35 16.353 -3.584 -6.762 257 HD1 TRP 35 HD TRP 35 15.486 -5.896 -3.769 258 HE1 TRP 35 1HE TRP 35 15.891 -4.574 -1.593 259 HE3 TRP 35 3HE TRP 35 16.940 -1.402 -5.719 260 HZ2 TRP 35 2HZ TRP 35 16.723 -1.959 -0.785 261 HZ3 TRP 35 3HZ TRP 35 17.529 0.485 -4.223 262 HH2 TRP 35 HH TRP 35 17.421 0.212 -1.761 263 H PHE 36 H PHE 36 15.531 -7.080 -6.856 264 HA PHE 36 HA PHE 36 13.402 -8.497 -5.337 265 HB2 PHE 36 2HB PHE 36 15.732 -9.294 -7.103 266 HB3 PHE 36 1HB PHE 36 14.746 -10.481 -6.256 267 HD1 PHE 36 1HD PHE 36 12.218 -10.528 -6.720 268 HD2 PHE 36 2HD PHE 36 15.006 -8.314 -9.127 269 HE1 PHE 36 1HE PHE 36 10.563 -10.447 -8.566 270 HE2 PHE 36 2HE PHE 36 13.348 -8.230 -10.969 271 HZ PHE 36 HZ PHE 36 11.129 -9.299 -10.690 272 H GLU 37 H GLU 37 13.741 -9.073 -3.230 273 HA GLU 37 HA GLU 37 16.358 -9.916 -2.232 274 HB2 GLU 37 2HB GLU 37 16.537 -7.434 -2.330 275 HB3 GLU 37 1HB GLU 37 15.130 -7.314 -1.271 276 HG2 GLU 37 2HG GLU 37 17.083 -7.121 0.129 277 HG3 GLU 37 1HG GLU 37 16.390 -8.717 0.414 278 H ASN 38 H ASN 38 13.040 -8.853 -1.448 279 HA ASN 38 HA ASN 38 11.464 -9.716 0.087 280 HB2 ASN 38 2HB ASN 38 12.344 -11.787 -1.193 281 HB3 ASN 38 1HB ASN 38 13.313 -12.108 0.244 282 HD21 ASN 38 1HD2 ASN 38 9.898 -11.425 -0.674 283 HD22 ASN 38 2HD2 ASN 38 9.223 -12.428 0.517 284 H LYS 39 H LYS 39 13.949 -8.244 0.989 285 HA LYS 39 HA LYS 39 14.862 -9.380 3.480 286 HB2 LYS 39 2HB LYS 39 16.061 -7.708 2.086 287 HB3 LYS 39 1HB LYS 39 14.827 -6.514 2.481 288 HG2 LYS 39 2HG LYS 39 16.054 -7.902 4.796 289 HG3 LYS 39 1HG LYS 39 17.122 -6.821 3.902 290 HD2 LYS 39 2HD LYS 39 15.489 -4.995 4.134 291 HD3 LYS 39 1HD LYS 39 14.402 -6.069 5.012 292 HE2 LYS 39 2HE LYS 39 16.086 -6.356 6.788 293 HE3 LYS 39 1HE LYS 39 17.201 -5.295 5.905 294 HZ1 LYS 39 3HZ LYS 39 15.431 -3.588 5.915 295 HZ2 LYS 39 1HZ LYS 39 15.983 -3.971 7.472 296 HZ3 LYS 39 2HZ LYS 39 14.499 -4.590 6.922 297 H GLY 40 H GLY 40 12.469 -6.819 2.746 298 HA2 GLY 40 2HA GLY 40 10.986 -7.483 5.202 299 HA3 GLY 40 1HA GLY 40 11.703 -5.871 5.177 300 H LEU 41 H LEU 41 9.983 -7.905 2.799 301 HA LEU 41 HA LEU 41 8.773 -5.741 1.390 302 HB2 LEU 41 2HB LEU 41 9.050 -8.016 0.523 303 HB3 LEU 41 1HB LEU 41 7.943 -8.633 1.747 304 HG LEU 41 HG LEU 41 6.168 -7.107 0.789 305 HD11 LEU 41 1HD1 LEU 41 8.001 -6.917 -1.598 306 HD12 LEU 41 2HD1 LEU 41 7.950 -5.651 -0.376 307 HD13 LEU 41 3HD1 LEU 41 6.504 -6.037 -1.306 308 HD21 LEU 41 3HD2 LEU 41 6.754 -9.612 0.149 309 HD22 LEU 41 1HD2 LEU 41 7.141 -8.886 -1.410 310 HD23 LEU 41 2HD2 LEU 41 5.517 -8.722 -0.741 311 H VAL 42 H VAL 42 6.983 -4.572 1.763 312 HA VAL 42 HA VAL 42 5.197 -5.302 4.062 313 HB VAL 42 HB VAL 42 5.922 -2.600 2.859 314 HG11 VAL 42 1HG1 VAL 42 4.040 -3.470 5.025 315 HG12 VAL 42 2HG1 VAL 42 3.799 -2.267 3.758 316 HG13 VAL 42 3HG1 VAL 42 4.834 -1.898 5.138 317 HG21 VAL 42 3HG2 VAL 42 6.909 -2.384 5.278 318 HG22 VAL 42 1HG2 VAL 42 7.835 -3.243 4.047 319 HG23 VAL 42 2HG2 VAL 42 6.904 -4.148 5.240 320 H GLU 43 H GLU 43 3.108 -5.720 3.426 321 HA GLU 43 HA GLU 43 2.430 -5.537 0.584 322 HB2 GLU 43 2HB GLU 43 1.043 -6.532 3.079 323 HB3 GLU 43 1HB GLU 43 0.311 -6.624 1.481 324 HG2 GLU 43 2HG GLU 43 2.157 -7.986 0.660 325 HG3 GLU 43 1HG GLU 43 3.011 -7.807 2.190 326 H CYS 44 H CYS 44 1.675 -3.719 -0.262 327 HA CYS 44 HA CYS 44 0.146 -1.697 1.262 328 HB2 CYS 44 2HB CYS 44 1.852 -1.657 -0.894 329 HB3 CYS 44 1HB CYS 44 0.300 -1.710 -1.720 330 HG CYS 44 HG CYS 44 -0.323 0.488 -0.245 331 H ASN 45 H ASN 45 -2.166 -1.181 0.012 332 HA ASN 45 HA ASN 45 -3.837 -3.450 0.299 333 HB2 ASN 45 2HB ASN 45 -4.041 -0.921 -1.357 334 HB3 ASN 45 1HB ASN 45 -5.377 -2.063 -1.221 335 HD21 ASN 45 1HD2 ASN 45 -5.595 0.605 -0.201 336 HD22 ASN 45 2HD2 ASN 45 -5.693 0.524 1.491 337 H ASN 46 H ASN 46 -3.208 -2.003 -2.917 338 HA ASN 46 HA ASN 46 -3.164 -4.765 -4.081 339 HB2 ASN 46 2HB ASN 46 -4.000 -2.047 -5.099 340 HB3 ASN 46 1HB ASN 46 -3.737 -3.406 -6.193 341 HD21 ASN 46 1HD2 ASN 46 -5.507 -2.687 -3.122 342 HD22 ASN 46 2HD2 ASN 46 -6.840 -3.666 -3.496 343 H HIS 47 H HIS 47 -0.797 -3.333 -2.878 344 HA HIS 47 HA HIS 47 1.009 -3.519 -5.241 345 HB2 HIS 47 2HB HIS 47 0.551 -1.260 -5.444 346 HB3 HIS 47 1HB HIS 47 0.095 -1.102 -3.757 347 HD2 HIS 47 2HD HIS 47 3.701 -2.158 -5.038 348 HE1 HIS 47 1HE HIS 47 4.043 1.390 -2.778 349 HE2 HIS 47 2HE HIS 47 5.329 -0.410 -4.019 350 H TYR 48 H TYR 48 3.257 -3.966 -4.582 351 HA TYR 48 HA TYR 48 3.567 -4.512 -1.643 352 HB2 TYR 48 2HB TYR 48 5.147 -5.949 -3.762 353 HB3 TYR 48 1HB TYR 48 4.702 -6.498 -2.153 354 HD1 TYR 48 1HD TYR 48 1.807 -6.044 -2.066 355 HD2 TYR 48 2HD TYR 48 4.278 -7.483 -5.265 356 HE1 TYR 48 1HE TYR 48 -0.148 -7.218 -3.051 357 HE2 TYR 48 2HE TYR 48 2.331 -8.658 -6.249 358 HH TYR 48 HH TYR 48 -0.815 -8.020 -5.394 359 H LEU 49 H LEU 49 5.148 -3.381 -0.667 360 HA LEU 49 HA LEU 49 7.643 -2.742 -2.125 361 HB2 LEU 49 2HB LEU 49 7.598 -0.416 -1.255 362 HB3 LEU 49 1HB LEU 49 6.274 -0.731 -2.364 363 HG LEU 49 HG LEU 49 5.916 -1.048 0.611 364 HD11 LEU 49 1HD1 LEU 49 4.911 1.321 0.424 365 HD12 LEU 49 2HD1 LEU 49 5.823 1.459 -1.077 366 HD13 LEU 49 3HD1 LEU 49 6.668 1.202 0.446 367 HD21 LEU 49 3HD2 LEU 49 3.632 -0.029 -0.758 368 HD22 LEU 49 1HD2 LEU 49 3.843 -1.639 -0.072 369 HD23 LEU 49 2HD2 LEU 49 4.278 -1.331 -1.754 370 H CYS 50 H CYS 50 9.459 -2.695 -0.648 371 HA CYS 50 HA CYS 50 8.840 -3.891 1.981 372 HB2 CYS 50 2HB CYS 50 11.215 -4.534 1.947 373 HB3 CYS 50 1HB CYS 50 10.435 -5.000 0.440 374 HG CYS 50 HG CYS 50 11.573 -2.353 -0.106 375 H LEU 51 H LEU 51 10.177 -3.139 3.837 376 HA LEU 51 HA LEU 51 9.712 -0.434 4.441 377 HB2 LEU 51 2HB LEU 51 10.277 -2.544 5.885 378 HB3 LEU 51 1HB LEU 51 11.947 -2.018 5.676 379 HG LEU 51 HG LEU 51 10.925 0.333 6.393 380 HD11 LEU 51 1HD1 LEU 51 9.202 -1.523 8.020 381 HD12 LEU 51 2HD1 LEU 51 8.616 -0.865 6.492 382 HD13 LEU 51 3HD1 LEU 51 9.055 0.222 7.810 383 HD21 LEU 51 3HD2 LEU 51 11.271 -1.690 8.590 384 HD22 LEU 51 1HD2 LEU 51 11.880 -0.037 8.499 385 HD23 LEU 51 2HD2 LEU 51 12.634 -1.309 7.537 386 H ASN 52 H ASN 52 12.474 -1.970 2.909 387 HA ASN 52 HA ASN 52 14.441 0.055 3.262 388 HB2 ASN 52 2HB ASN 52 14.615 -2.316 2.299 389 HB3 ASN 52 1HB ASN 52 14.024 -1.634 0.784 390 HD21 ASN 52 1HD2 ASN 52 16.829 -2.086 2.724 391 HD22 ASN 52 2HD2 ASN 52 17.885 -1.116 1.816 392 H CYS 53 H CYS 53 12.159 -0.409 0.508 393 HA CYS 53 HA CYS 53 12.832 2.303 -0.486 394 HB2 CYS 53 2HB CYS 53 11.465 1.635 -2.421 395 HB3 CYS 53 1HB CYS 53 12.658 0.400 -2.038 396 HG CYS 53 HG CYS 53 9.594 0.118 -1.644 397 H LEU 54 H LEU 54 10.284 0.627 1.217 398 HA LEU 54 HA LEU 54 8.129 2.457 0.855 399 HB2 LEU 54 2HB LEU 54 7.759 0.300 1.832 400 HB3 LEU 54 1HB LEU 54 8.989 0.568 3.050 401 HG LEU 54 HG LEU 54 7.591 2.334 4.072 402 HD11 LEU 54 1HD1 LEU 54 5.295 1.443 2.359 403 HD12 LEU 54 2HD1 LEU 54 6.388 2.690 1.761 404 HD13 LEU 54 3HD1 LEU 54 5.496 2.944 3.258 405 HD21 LEU 54 3HD2 LEU 54 5.778 0.814 4.905 406 HD22 LEU 54 1HD2 LEU 54 7.381 0.077 4.947 407 HD23 LEU 54 2HD2 LEU 54 6.245 -0.353 3.667 408 H THR 55 H THR 55 10.815 2.451 3.200 409 HA THR 55 HA THR 55 9.928 4.701 4.755 410 HB THR 55 HB THR 55 12.698 3.609 4.143 411 HG1 THR 55 1HG THR 55 12.260 2.168 5.626 412 HG21 THR 55 3HG2 THR 55 11.678 5.469 6.301 413 HG22 THR 55 1HG2 THR 55 12.951 5.787 5.123 414 HG23 THR 55 2HG2 THR 55 13.217 4.615 6.415 415 H LEU 56 H LEU 56 12.148 4.508 1.936 416 HA LEU 56 HA LEU 56 12.797 7.292 1.846 417 HB2 LEU 56 2HB LEU 56 12.830 4.973 -0.064 418 HB3 LEU 56 1HB LEU 56 13.176 6.588 -0.675 419 HG LEU 56 HG LEU 56 15.253 5.413 -0.018 420 HD11 LEU 56 1HD1 LEU 56 15.019 7.445 2.132 421 HD12 LEU 56 2HD1 LEU 56 14.610 7.992 0.506 422 HD13 LEU 56 3HD1 LEU 56 16.203 7.309 0.831 423 HD21 LEU 56 3HD2 LEU 56 14.076 4.091 1.834 424 HD22 LEU 56 1HD2 LEU 56 14.234 5.534 2.830 425 HD23 LEU 56 2HD2 LEU 56 15.674 4.715 2.227 426 H LEU 57 H LEU 57 10.202 5.455 0.214 427 HA LEU 57 HA LEU 57 9.092 7.987 -0.892 428 HB2 LEU 57 2HB LEU 57 8.425 5.046 -1.203 429 HB3 LEU 57 1HB LEU 57 7.534 6.340 -2.003 430 HG LEU 57 HG LEU 57 10.525 6.036 -2.263 431 HD11 LEU 57 1HD1 LEU 57 8.969 4.067 -3.099 432 HD12 LEU 57 2HD1 LEU 57 10.263 4.674 -4.132 433 HD13 LEU 57 3HD1 LEU 57 8.601 5.194 -4.404 434 HD21 LEU 57 3HD2 LEU 57 9.956 7.347 -4.391 435 HD22 LEU 57 1HD2 LEU 57 9.773 8.222 -2.870 436 HD23 LEU 57 2HD2 LEU 57 8.352 7.579 -3.695 437 H LEU 58 H LEU 58 8.822 6.310 2.010 438 HA LEU 58 HA LEU 58 7.171 6.320 3.712 439 HB2 LEU 58 2HB LEU 58 6.832 8.724 2.115 440 HB3 LEU 58 1HB LEU 58 5.292 8.169 2.757 441 HG LEU 58 HG LEU 58 6.405 9.709 4.325 442 HD11 LEU 58 1HD1 LEU 58 5.103 7.492 4.975 443 HD12 LEU 58 2HD1 LEU 58 5.863 8.494 6.212 444 HD13 LEU 58 3HD1 LEU 58 6.675 7.038 5.633 445 HD21 LEU 58 3HD2 LEU 58 8.540 9.262 5.274 446 HD22 LEU 58 1HD2 LEU 58 8.739 8.982 3.545 447 HD23 LEU 58 2HD2 LEU 58 8.557 7.615 4.644 448 H SER 59 H SER 59 4.812 5.641 4.021 449 HA SER 59 HA SER 59 4.070 3.653 2.043 450 HB2 SER 59 2HB SER 59 2.604 4.969 4.357 451 HB3 SER 59 1HB SER 59 1.944 3.620 3.437 452 HG SER 59 HG SER 59 3.292 2.312 4.399 453 H VAL 60 H VAL 60 2.389 6.601 3.095 454 HA VAL 60 HA VAL 60 1.984 7.427 0.289 455 HB VAL 60 HB VAL 60 -0.448 7.675 0.657 456 HG11 VAL 60 1HG1 VAL 60 0.213 4.814 1.298 457 HG12 VAL 60 2HG1 VAL 60 0.762 5.526 -0.220 458 HG13 VAL 60 3HG1 VAL 60 -0.960 5.456 0.148 459 HG21 VAL 60 3HG2 VAL 60 -1.085 6.007 2.755 460 HG22 VAL 60 1HG2 VAL 60 -1.042 7.767 2.862 461 HG23 VAL 60 2HG2 VAL 60 0.352 6.818 3.375 462 H SER 61 H SER 61 3.673 8.803 1.837 463 HA SER 61 HA SER 61 2.746 10.616 3.779 464 HB2 SER 61 2HB SER 61 4.679 11.944 3.140 465 HB3 SER 61 1HB SER 61 5.094 10.248 2.943 466 HG SER 61 HG SER 61 4.661 10.457 0.733 467 H ASN 62 H ASN 62 2.670 10.903 0.255 468 HA ASN 62 HA ASN 62 0.553 13.006 0.509 469 HB2 ASN 62 2HB ASN 62 2.839 13.847 -0.201 470 HB3 ASN 62 1HB ASN 62 2.702 12.819 -1.630 471 HD21 ASN 62 1HD2 ASN 62 2.833 15.735 -1.727 472 HD22 ASN 62 2HD2 ASN 62 1.361 16.283 -2.369 473 H ARG 63 H ARG 63 2.065 10.569 -1.603 474 HA ARG 63 HA ARG 63 -0.591 9.516 -2.362 475 HB2 ARG 63 2HB ARG 63 -0.211 11.447 -3.845 476 HB3 ARG 63 1HB ARG 63 1.357 10.787 -4.312 477 HG2 ARG 63 2HG ARG 63 0.150 8.733 -5.152 478 HG3 ARG 63 1HG ARG 63 -1.368 9.587 -4.862 479 HD2 ARG 63 2HD ARG 63 0.853 10.704 -6.587 480 HD3 ARG 63 1HD ARG 63 -0.528 9.797 -7.233 481 HE ARG 63 HE ARG 63 -0.628 12.496 -6.078 482 HH11 ARG 63 1HH1 ARG 63 -2.435 9.567 -6.688 483 HH12 ARG 63 2HH1 ARG 63 -3.937 10.397 -6.827 484 HH21 ARG 63 1HH2 ARG 63 -2.603 13.545 -6.310 485 HH22 ARG 63 2HH2 ARG 63 -4.041 12.624 -6.599 486 H CYS 64 H CYS 64 -0.429 7.343 -3.066 487 HA CYS 64 HA CYS 64 2.249 6.086 -2.859 488 HB2 CYS 64 2HB CYS 64 -0.166 5.292 -1.978 489 HB3 CYS 64 1HB CYS 64 -0.227 4.577 -3.586 490 HG CYS 64 HG CYS 64 2.245 3.976 -1.784 491 HA PRO 65 HA PRO 65 2.388 6.807 -7.297 492 HB2 PRO 65 2HB PRO 65 4.850 5.676 -7.740 493 HB3 PRO 65 1HB PRO 65 4.626 7.307 -7.077 494 HG2 PRO 65 2HG PRO 65 5.217 4.754 -5.653 495 HG3 PRO 65 1HG PRO 65 5.883 6.374 -5.389 496 HD2 PRO 65 2HD PRO 65 3.955 5.329 -3.815 497 HD3 PRO 65 1HD PRO 65 4.066 7.071 -4.163 498 H ILE 66 H ILE 66 3.137 3.624 -5.858 499 HA ILE 66 HA ILE 66 2.791 2.203 -8.363 500 HB ILE 66 HB ILE 66 2.711 1.200 -5.510 501 HG12 ILE 66 2HG1 ILE 66 4.782 2.471 -6.008 502 HG13 ILE 66 1HG1 ILE 66 5.126 0.751 -5.839 503 HG21 ILE 66 1HG2 ILE 66 1.986 -0.617 -6.759 504 HG22 ILE 66 2HG2 ILE 66 3.731 -0.838 -6.887 505 HG23 ILE 66 3HG2 ILE 66 2.839 -0.089 -8.211 506 HD11 ILE 66 3HD1 ILE 66 4.793 2.265 -8.451 507 HD12 ILE 66 1HD1 ILE 66 5.043 0.524 -8.323 508 HD13 ILE 66 2HD1 ILE 66 6.305 1.636 -7.796 509 H CYS 67 H CYS 67 0.670 2.660 -5.509 510 HA CYS 67 HA CYS 67 -1.496 1.078 -6.530 511 HB2 CYS 67 2HB CYS 67 -1.408 3.438 -4.625 512 HB3 CYS 67 1HB CYS 67 -2.832 2.438 -4.882 513 HG CYS 67 HG CYS 67 -1.875 0.781 -3.325 514 H LYS 68 H LYS 68 -0.295 4.217 -7.406 515 HA LYS 68 HA LYS 68 -1.040 5.801 -8.980 516 HB2 LYS 68 2HB LYS 68 -1.312 3.275 -9.991 517 HB3 LYS 68 1HB LYS 68 -2.961 3.878 -10.156 518 HG2 LYS 68 2HG LYS 68 -2.187 5.805 -11.412 519 HG3 LYS 68 1HG LYS 68 -0.503 5.352 -11.139 520 HD2 LYS 68 2HD LYS 68 -0.854 3.261 -12.390 521 HD3 LYS 68 1HD LYS 68 -2.542 3.699 -12.657 522 HE2 LYS 68 2HE LYS 68 -1.830 5.719 -13.893 523 HE3 LYS 68 1HE LYS 68 -0.132 5.270 -13.637 524 HZ1 LYS 68 3HZ LYS 68 -0.622 3.114 -14.679 525 HZ2 LYS 68 1HZ LYS 68 -0.866 4.407 -15.748 526 HZ3 LYS 68 2HZ LYS 68 -2.199 3.644 -15.022 527 H MET 69 H MET 69 -2.602 5.332 -6.417 528 HA MET 69 HA MET 69 -5.137 6.616 -7.365 529 HB2 MET 69 2HB MET 69 -4.668 4.366 -5.418 530 HB3 MET 69 1HB MET 69 -6.132 5.349 -5.326 531 HG2 MET 69 2HG MET 69 -6.544 4.869 -7.749 532 HG3 MET 69 1HG MET 69 -5.172 3.761 -7.722 533 HE1 MET 69 3HE MET 69 -9.228 3.690 -6.999 534 HE2 MET 69 1HE MET 69 -8.231 4.967 -6.286 535 HE3 MET 69 2HE MET 69 -8.931 3.715 -5.263 536 HA PRO 70 HA PRO 70 -4.057 9.662 -4.359 537 HB2 PRO 70 2HB PRO 70 -6.420 11.018 -4.251 538 HB3 PRO 70 1HB PRO 70 -5.320 11.118 -5.636 539 HG2 PRO 70 2HG PRO 70 -7.867 9.650 -5.352 540 HG3 PRO 70 1HG PRO 70 -7.128 10.367 -6.789 541 HD2 PRO 70 2HD PRO 70 -7.123 7.658 -6.111 542 HD3 PRO 70 1HD PRO 70 -6.093 8.435 -7.332 543 H LEU 71 H LEU 71 -4.528 10.291 -2.149 544 HA LEU 71 HA LEU 71 -6.338 8.385 -0.697 545 HB2 LEU 71 2HB LEU 71 -3.723 9.733 0.022 546 HB3 LEU 71 1HB LEU 71 -4.709 8.860 1.197 547 HG LEU 71 HG LEU 71 -4.636 6.993 -0.720 548 HD11 LEU 71 1HD1 LEU 71 -2.202 7.030 -1.564 549 HD12 LEU 71 2HD1 LEU 71 -2.205 8.739 -1.128 550 HD13 LEU 71 3HD1 LEU 71 -3.334 8.136 -2.342 551 HD21 LEU 71 3HD2 LEU 71 -3.883 6.827 1.666 552 HD22 LEU 71 1HD2 LEU 71 -2.333 7.505 1.178 553 HD23 LEU 71 2HD2 LEU 71 -2.846 5.940 0.549 554 HA PRO 72 HA PRO 72 -8.121 12.577 -0.133 555 HB2 PRO 72 2HB PRO 72 -10.695 11.710 0.222 556 HB3 PRO 72 1HB PRO 72 -9.976 11.974 -1.380 557 HG2 PRO 72 2HG PRO 72 -10.326 9.428 0.135 558 HG3 PRO 72 1HG PRO 72 -10.597 9.761 -1.585 559 HD2 PRO 72 2HD PRO 72 -8.372 8.524 -0.689 560 HD3 PRO 72 1HD PRO 72 -8.358 9.599 -2.106 561 H THR 73 H THR 73 -9.085 13.528 1.799 562 HA THR 73 HA THR 73 -8.253 12.225 4.279 563 HB THR 73 HB THR 73 -9.071 14.358 5.247 564 HG1 THR 73 1HG THR 73 -9.985 15.868 3.752 565 HG21 THR 73 3HG2 THR 73 -7.596 15.866 4.008 566 HG22 THR 73 1HG2 THR 73 -7.614 14.775 2.622 567 HG23 THR 73 2HG2 THR 73 -6.850 14.272 4.130 568 H LYS 74 H LYS 74 -9.854 12.071 6.145 569 HA LYS 74 HA LYS 74 -12.143 10.460 5.383 570 HB2 LYS 74 2HB LYS 74 -10.779 10.157 7.436 571 HB3 LYS 74 1HB LYS 74 -11.343 11.721 8.029 572 HG2 LYS 74 2HG LYS 74 -12.718 10.026 9.058 573 HG3 LYS 74 1HG LYS 74 -13.704 10.840 7.844 574 HD2 LYS 74 2HD LYS 74 -13.322 9.044 6.252 575 HD3 LYS 74 1HD LYS 74 -12.199 8.255 7.360 576 HE2 LYS 74 2HE LYS 74 -14.020 7.914 8.991 577 HE3 LYS 74 1HE LYS 74 -15.157 8.719 7.889 578 HZ1 LYS 74 3HZ LYS 74 -14.555 7.093 6.177 579 HZ2 LYS 74 1HZ LYS 74 -15.230 6.340 7.539 580 HZ3 LYS 74 2HZ LYS 74 -13.551 6.290 7.287 581 H LEU 75 H LEU 75 -14.233 11.123 5.056 582 HA LEU 75 HA LEU 75 -14.862 14.007 5.199 583 HB2 LEU 75 2HB LEU 75 -16.108 11.505 4.080 584 HB3 LEU 75 1HB LEU 75 -17.065 12.982 4.214 585 HG LEU 75 HG LEU 75 -14.988 14.098 3.056 586 HD11 LEU 75 1HD1 LEU 75 -13.357 12.519 2.776 587 HD12 LEU 75 2HD1 LEU 75 -14.277 12.143 1.320 588 HD13 LEU 75 3HD1 LEU 75 -14.504 11.180 2.780 589 HD21 LEU 75 3HD2 LEU 75 -15.999 13.544 0.833 590 HD22 LEU 75 1HD2 LEU 75 -17.204 13.985 2.043 591 HD23 LEU 75 2HD2 LEU 75 -16.958 12.291 1.620 592 H ARG 76 H ARG 76 -16.179 14.914 6.750 593 HA ARG 76 HA ARG 76 -16.724 13.579 9.198 594 HB2 ARG 76 2HB ARG 76 -16.563 16.074 8.665 595 HB3 ARG 76 1HB ARG 76 -18.226 15.958 8.086 596 HG2 ARG 76 2HG ARG 76 -19.082 15.553 10.204 597 HG3 ARG 76 1HG ARG 76 -17.577 14.839 10.786 598 HD2 ARG 76 2HD ARG 76 -16.693 17.344 10.306 599 HD3 ARG 76 1HD ARG 76 -18.389 17.701 10.690 600 HE ARG 76 HE ARG 76 -18.040 16.859 12.889 601 HH11 ARG 76 1HH1 ARG 76 -15.524 15.674 10.813 602 HH12 ARG 76 2HH1 ARG 76 -14.426 15.383 12.114 603 HH21 ARG 76 1HH2 ARG 76 -16.510 16.663 14.560 604 HH22 ARG 76 2HH2 ARG 76 -14.978 15.932 14.216 605 HA PRO 77 HA PRO 77 -20.353 11.328 7.872 606 HB2 PRO 77 2HB PRO 77 -21.058 10.300 10.303 607 HB3 PRO 77 1HB PRO 77 -19.707 9.661 9.346 608 HG2 PRO 77 2HG PRO 77 -19.669 11.454 11.713 609 HG3 PRO 77 1HG PRO 77 -18.547 10.167 11.249 610 HD2 PRO 77 2HD PRO 77 -18.067 12.850 10.899 611 HD3 PRO 77 1HD PRO 77 -17.292 11.557 9.958 612 H SER 78 H SER 78 -22.701 11.507 8.192 613 HA SER 78 HA SER 78 -24.666 12.772 8.565 614 HB2 SER 78 2HB SER 78 -23.360 13.517 11.181 615 HB3 SER 78 1HB SER 78 -25.057 13.169 10.868 616 HG SER 78 HG SER 78 -22.929 11.468 11.331 617 H ALA 79 H ALA 79 -22.277 14.142 7.364 618 HA ALA 79 HA ALA 79 -22.159 16.855 8.401 619 HB1 ALA 79 1HB ALA 79 -21.075 17.152 6.052 620 HB2 ALA 79 2HB ALA 79 -21.285 15.408 5.899 621 HB3 ALA 79 3HB ALA 79 -20.281 16.066 7.191 622 H ALA 80 H ALA 80 -24.635 17.051 8.453 623 HA ALA 80 HA ALA 80 -25.518 18.642 6.179 624 HB1 ALA 80 1HB ALA 80 -27.052 17.145 5.227 625 HB2 ALA 80 2HB ALA 80 -27.119 16.144 6.677 626 HB3 ALA 80 3HB ALA 80 -25.704 16.081 5.626 627 HA PRO 81 HA PRO 81 -27.541 19.593 10.190 628 HB2 PRO 81 2HB PRO 81 -27.381 22.311 9.928 629 HB3 PRO 81 1HB PRO 81 -26.052 21.325 10.571 630 HG2 PRO 81 2HG PRO 81 -26.400 22.493 7.859 631 HG3 PRO 81 1HG PRO 81 -24.934 22.319 8.835 632 HD2 PRO 81 2HD PRO 81 -25.590 20.668 6.756 633 HD3 PRO 81 1HD PRO 81 -24.557 20.186 8.120 634 H THR 82 H THR 82 -29.733 20.145 10.452 635 HA THR 82 HA THR 82 -31.303 20.515 7.973 636 HB THR 82 HB THR 82 -33.187 20.171 9.643 637 HG1 THR 82 1HG THR 82 -32.030 20.975 11.448 638 HG21 THR 82 3HG2 THR 82 -32.196 17.789 10.292 639 HG22 THR 82 1HG2 THR 82 -30.937 18.269 9.154 640 HG23 THR 82 2HG2 THR 82 -32.616 18.179 8.624 641 H ALA 83 H ALA 83 -33.062 22.199 7.985 642 HA ALA 83 HA ALA 83 -32.482 24.546 9.719 643 HB1 ALA 83 1HB ALA 83 -32.797 24.847 6.738 644 HB2 ALA 83 2HB ALA 83 -31.222 24.489 7.446 645 HB3 ALA 83 3HB ALA 83 -32.071 25.970 7.887 646 HA PRO 84 HA PRO 84 -36.911 24.634 9.581 647 HB2 PRO 84 2HB PRO 84 -37.325 27.027 10.822 648 HB3 PRO 84 1HB PRO 84 -36.812 25.571 11.696 649 HG2 PRO 84 2HG PRO 84 -35.223 27.927 10.851 650 HG3 PRO 84 1HG PRO 84 -35.070 26.917 12.296 651 HD2 PRO 84 2HD PRO 84 -33.455 26.747 10.060 652 HD3 PRO 84 1HD PRO 84 -33.669 25.460 11.266 653 HA PRO 85 HA PRO 85 -37.787 27.132 6.031 654 HB2 PRO 85 2HB PRO 85 -40.514 27.213 6.150 655 HB3 PRO 85 1HB PRO 85 -39.618 25.757 5.676 656 HG2 PRO 85 2HG PRO 85 -40.881 26.435 8.281 657 HG3 PRO 85 1HG PRO 85 -40.792 24.881 7.438 658 HD2 PRO 85 2HD PRO 85 -39.188 25.571 9.545 659 HD3 PRO 85 1HD PRO 85 -38.736 24.387 8.298 660 H THR 86 H THR 86 -38.607 29.283 5.462 661 HA THR 86 HA THR 86 -39.474 31.003 7.743 662 HB THR 86 HB THR 86 -37.021 31.108 7.620 663 HG1 THR 86 1HG THR 86 -38.268 33.050 7.944 664 HG21 THR 86 3HG2 THR 86 -37.437 31.945 4.735 665 HG22 THR 86 1HG2 THR 86 -36.808 30.382 5.257 666 HG23 THR 86 2HG2 THR 86 -35.890 31.854 5.576 667 H GLY 87 H GLY 87 -40.595 32.918 7.027 668 HA2 GLY 87 2HA GLY 87 -41.651 32.698 4.256 669 HA3 GLY 87 1HA GLY 87 -42.407 33.603 5.568 670 H ALA 88 H ALA 88 -42.219 35.037 3.352 671 HA ALA 88 HA ALA 88 -40.012 36.959 3.931 672 HB1 ALA 88 1HB ALA 88 -40.651 36.397 1.080 673 HB2 ALA 88 2HB ALA 88 -39.792 35.127 1.951 674 HB3 ALA 88 3HB ALA 88 -39.095 36.743 1.833 675 H ALA 89 H ALA 89 -40.615 39.113 3.531 676 HA ALA 89 HA ALA 89 -43.481 39.543 2.778 677 HB1 ALA 89 1HB ALA 89 -43.149 40.383 4.931 678 HB2 ALA 89 2HB ALA 89 -42.824 41.819 3.961 679 HB3 ALA 89 3HB ALA 89 -41.486 40.861 4.594 680 H ASP 90 H ASP 90 -42.965 39.542 0.460 681 HA ASP 90 HA ASP 90 -41.206 41.740 -0.511 682 HB2 ASP 90 2HB ASP 90 -41.158 39.302 -1.320 683 HB3 ASP 90 1HB ASP 90 -42.701 39.644 -2.103 684 H SER 91 H SER 91 -42.249 43.679 -0.743 685 HA SER 91 HA SER 91 -45.118 43.677 -1.608 686 HB2 SER 91 2HB SER 91 -44.759 44.745 0.518 687 HB3 SER 91 1HB SER 91 -43.353 45.617 -0.087 688 HG SER 91 HG SER 91 -45.803 46.468 -0.040 689 H ILE 92 H ILE 92 -45.475 44.316 -3.690 690 HA ILE 92 HA ILE 92 -43.370 45.963 -5.058 691 HB ILE 92 HB ILE 92 -45.326 43.901 -6.139 692 HG12 ILE 92 2HG1 ILE 92 -42.303 43.779 -5.958 693 HG13 ILE 92 1HG1 ILE 92 -43.372 43.066 -4.749 694 HG21 ILE 92 1HG2 ILE 92 -44.998 45.189 -8.019 695 HG22 ILE 92 2HG2 ILE 92 -43.516 44.237 -8.108 696 HG23 ILE 92 3HG2 ILE 92 -43.482 45.861 -7.419 697 HD11 ILE 92 3HD1 ILE 92 -44.304 41.541 -6.323 698 HD12 ILE 92 1HD1 ILE 92 -42.564 41.498 -6.607 699 HD13 ILE 92 2HD1 ILE 92 -43.612 42.414 -7.690 700 H ARG 93 H ARG 93 -44.059 47.953 -5.722 701 HA ARG 93 HA ARG 93 -46.907 48.376 -6.440 702 HB2 ARG 93 2HB ARG 93 -46.467 48.724 -3.934 703 HB3 ARG 93 1HB ARG 93 -45.511 50.129 -4.409 704 HG2 ARG 93 2HG ARG 93 -47.704 50.642 -5.856 705 HG3 ARG 93 1HG ARG 93 -48.457 49.698 -4.569 706 HD2 ARG 93 2HD ARG 93 -48.524 51.919 -3.737 707 HD3 ARG 93 1HD ARG 93 -47.079 51.239 -2.964 708 HE ARG 93 HE ARG 93 -46.817 52.666 -5.574 709 HH11 ARG 93 1HH1 ARG 93 -46.999 53.918 -2.621 710 HH12 ARG 93 2HH1 ARG 93 -45.332 54.351 -2.432 711 HH21 ARG 93 1HH2 ARG 93 -44.269 52.512 -5.173 712 HH22 ARG 93 2HH2 ARG 93 -43.787 53.555 -3.877 713 HA PRO 94 HA PRO 94 -43.825 50.684 -9.013 714 HB2 PRO 94 2HB PRO 94 -44.878 49.978 -11.431 715 HB3 PRO 94 1HB PRO 94 -43.680 48.987 -10.575 716 HG2 PRO 94 2HG PRO 94 -46.629 48.650 -10.761 717 HG3 PRO 94 1HG PRO 94 -45.349 47.426 -10.776 718 HD2 PRO 94 2HD PRO 94 -46.877 47.989 -8.586 719 HD3 PRO 94 1HD PRO 94 -45.221 47.348 -8.495 720 HA PRO 95 HA PRO 95 -46.545 54.042 -9.838 721 HB2 PRO 95 2HB PRO 95 -45.558 55.147 -12.132 722 HB3 PRO 95 1HB PRO 95 -44.726 55.270 -10.570 723 HG2 PRO 95 2HG PRO 95 -44.177 53.469 -12.870 724 HG3 PRO 95 1HG PRO 95 -43.048 54.280 -11.774 725 HD2 PRO 95 2HD PRO 95 -43.731 51.638 -11.584 726 HD3 PRO 95 1HD PRO 95 -43.176 52.622 -10.212 727 HA PRO 96 HA PRO 96 -49.653 52.954 -12.773 728 HB2 PRO 96 2HB PRO 96 -50.606 55.370 -13.628 729 HB3 PRO 96 1HB PRO 96 -50.918 54.735 -12.000 730 HG2 PRO 96 2HG PRO 96 -48.931 56.765 -12.889 731 HG3 PRO 96 1HG PRO 96 -49.927 56.726 -11.426 732 HD2 PRO 96 2HD PRO 96 -47.291 56.038 -11.468 733 HD3 PRO 96 1HD PRO 96 -48.462 55.374 -10.306 734 H TYR 97 H TYR 97 -50.043 52.765 -15.073 735 HA TYR 97 HA TYR 97 -48.023 54.088 -16.847 736 HB2 TYR 97 2HB TYR 97 -47.349 51.779 -16.209 737 HB3 TYR 97 1HB TYR 97 -48.877 51.173 -16.847 738 HD1 TYR 97 2HD TYR 97 -45.710 52.896 -17.759 739 HD2 TYR 97 1HD TYR 97 -49.212 50.864 -19.192 740 HE1 TYR 97 2HE TYR 97 -44.725 52.803 -20.033 741 HE2 TYR 97 1HE TYR 97 -48.227 50.770 -21.466 742 HH TYR 97 HH TYR 97 -44.946 51.464 -22.076 743 H SER 98 H SER 98 -48.775 54.457 -18.993 744 HA SER 98 HA SER 98 -51.614 53.735 -19.572 745 HB2 SER 98 2HB SER 98 -50.361 56.418 -19.214 746 HB3 SER 98 1HB SER 98 -51.564 56.255 -20.491 747 HG SER 98 HG SER 98 -53.076 55.823 -19.030 748 HA PRO 99 HA PRO 99 -50.014 53.014 -23.611 749 HB2 PRO 99 2HB PRO 99 -52.245 53.410 -25.139 750 HB3 PRO 99 1HB PRO 99 -52.033 51.990 -24.095 751 HG2 PRO 99 2HG PRO 99 -53.644 54.445 -23.648 752 HG3 PRO 99 1HG PRO 99 -53.988 52.769 -23.197 753 HD2 PRO 99 2HD PRO 99 -53.064 54.686 -21.461 754 HD3 PRO 99 1HD PRO 99 -52.855 52.937 -21.232 Start of MODEL 10 1 H1 MET 1 1HT MET 1 -15.638 -36.829 -20.976 2 H2 MET 1 2HT MET 1 -15.924 -36.250 -19.404 3 H3 MET 1 3HT MET 1 -14.513 -35.799 -20.237 4 HA MET 1 HA MET 1 -17.284 -35.054 -21.034 5 HB2 MET 1 2HB MET 1 -16.416 -34.082 -18.900 6 HB3 MET 1 1HB MET 1 -15.013 -33.474 -19.780 7 HG2 MET 1 2HG MET 1 -16.571 -31.656 -19.662 8 HG3 MET 1 1HG MET 1 -16.647 -32.269 -21.314 9 HE1 MET 1 2HE MET 1 -18.037 -32.040 -17.889 10 HE2 MET 1 3HE MET 1 -18.243 -33.790 -17.918 11 HE3 MET 1 1HE MET 1 -19.659 -32.729 -17.918 12 H GLY 2 H GLY 2 -16.367 -36.004 -23.168 13 HA2 GLY 2 2HA GLY 2 -15.695 -35.471 -25.361 14 HA3 GLY 2 1HA GLY 2 -15.400 -33.820 -24.815 15 H ASN 3 H ASN 3 -13.907 -36.509 -23.154 16 HA ASN 3 HA ASN 3 -11.253 -35.460 -23.432 17 HB2 ASN 3 2HB ASN 3 -10.635 -37.650 -22.422 18 HB3 ASN 3 1HB ASN 3 -12.020 -36.928 -21.604 19 HD21 ASN 3 1HD2 ASN 3 -10.991 -39.873 -22.561 20 HD22 ASN 3 2HD2 ASN 3 -12.465 -40.600 -22.985 21 H LYS 4 H LYS 4 -13.033 -37.952 -25.217 22 HA LYS 4 HA LYS 4 -10.867 -38.985 -26.766 23 HB2 LYS 4 2HB LYS 4 -12.691 -39.866 -28.171 24 HB3 LYS 4 1HB LYS 4 -13.103 -40.022 -26.465 25 HG2 LYS 4 2HG LYS 4 -14.466 -37.974 -26.594 26 HG3 LYS 4 1HG LYS 4 -14.031 -37.786 -28.291 27 HD2 LYS 4 2HD LYS 4 -16.191 -38.838 -28.240 28 HD3 LYS 4 1HD LYS 4 -15.025 -40.080 -28.697 29 HE2 LYS 4 2HE LYS 4 -14.974 -40.946 -26.415 30 HE3 LYS 4 1HE LYS 4 -16.034 -39.634 -25.865 31 HZ1 LYS 4 3HZ LYS 4 -17.667 -40.373 -27.547 32 HZ2 LYS 4 1HZ LYS 4 -17.383 -41.539 -26.348 33 HZ3 LYS 4 2HZ LYS 4 -16.680 -41.714 -27.885 34 H GLN 5 H GLN 5 -12.787 -36.058 -27.116 35 HA GLN 5 HA GLN 5 -11.940 -35.547 -29.882 36 HB2 GLN 5 2HB GLN 5 -13.382 -33.954 -27.742 37 HB3 GLN 5 1HB GLN 5 -13.121 -33.359 -29.381 38 HG2 GLN 5 2HG GLN 5 -14.352 -35.273 -30.296 39 HG3 GLN 5 1HG GLN 5 -14.577 -35.921 -28.672 40 HE21 GLN 5 1HE2 GLN 5 -16.097 -34.051 -31.023 41 HE22 GLN 5 2HE2 GLN 5 -17.196 -33.225 -30.026 42 H ALA 6 H ALA 6 -9.584 -35.925 -28.587 43 HA ALA 6 HA ALA 6 -8.333 -33.261 -28.688 44 HB1 ALA 6 1HB ALA 6 -7.642 -33.223 -26.414 45 HB2 ALA 6 2HB ALA 6 -8.045 -34.924 -26.181 46 HB3 ALA 6 3HB ALA 6 -9.330 -33.728 -26.346 47 H LYS 7 H LYS 7 -7.652 -34.949 -30.531 48 HA LYS 7 HA LYS 7 -5.843 -37.088 -29.945 49 HB2 LYS 7 2HB LYS 7 -7.001 -36.621 -32.112 50 HB3 LYS 7 1HB LYS 7 -5.941 -35.231 -32.347 51 HG2 LYS 7 2HG LYS 7 -3.975 -36.685 -32.330 52 HG3 LYS 7 1HG LYS 7 -4.990 -38.091 -32.002 53 HD2 LYS 7 2HD LYS 7 -6.173 -37.726 -34.149 54 HD3 LYS 7 1HD LYS 7 -5.125 -36.348 -34.481 55 HE2 LYS 7 2HE LYS 7 -4.096 -39.167 -34.003 56 HE3 LYS 7 1HE LYS 7 -4.339 -38.453 -35.609 57 HZ1 LYS 7 3HZ LYS 7 -2.542 -37.500 -33.450 58 HZ2 LYS 7 1HZ LYS 7 -2.966 -36.530 -34.776 59 HZ3 LYS 7 2HZ LYS 7 -2.115 -37.981 -35.022 60 H ALA 8 H ALA 8 -5.237 -33.639 -30.671 61 HA ALA 8 HA ALA 8 -2.782 -33.660 -29.070 62 HB1 ALA 8 1HB ALA 8 -2.794 -33.636 -32.093 63 HB2 ALA 8 2HB ALA 8 -1.864 -34.677 -31.015 64 HB3 ALA 8 3HB ALA 8 -1.443 -32.972 -31.174 65 HA PRO 9 HA PRO 9 -4.993 -29.585 -29.810 66 HB2 PRO 9 2HB PRO 9 -5.658 -29.067 -27.210 67 HB3 PRO 9 1HB PRO 9 -6.704 -29.991 -28.307 68 HG2 PRO 9 2HG PRO 9 -4.859 -30.963 -26.184 69 HG3 PRO 9 1HG PRO 9 -6.464 -31.554 -26.642 70 HD2 PRO 9 2HD PRO 9 -4.141 -32.773 -27.385 71 HD3 PRO 9 1HD PRO 9 -5.645 -32.864 -28.328 72 H GLU 10 H GLU 10 -4.126 -27.479 -29.178 73 HA GLU 10 HA GLU 10 -1.568 -27.612 -27.616 74 HB2 GLU 10 2HB GLU 10 -0.643 -26.054 -29.303 75 HB3 GLU 10 1HB GLU 10 -1.198 -27.547 -30.058 76 HG2 GLU 10 2HG GLU 10 -3.315 -26.448 -30.691 77 HG3 GLU 10 1HG GLU 10 -2.768 -24.953 -29.930 78 H SER 11 H SER 11 -4.427 -26.676 -26.972 79 HA SER 11 HA SER 11 -3.687 -23.896 -26.114 80 HB2 SER 11 2HB SER 11 -6.271 -25.022 -27.224 81 HB3 SER 11 1HB SER 11 -6.176 -23.448 -26.437 82 HG SER 11 HG SER 11 -4.774 -22.766 -28.020 83 H LYS 12 H LYS 12 -4.527 -23.284 -24.036 84 HA LYS 12 HA LYS 12 -5.137 -25.587 -22.257 85 HB2 LYS 12 2HB LYS 12 -3.305 -23.984 -21.756 86 HB3 LYS 12 1HB LYS 12 -4.482 -22.672 -21.709 87 HG2 LYS 12 2HG LYS 12 -5.648 -23.759 -19.840 88 HG3 LYS 12 1HG LYS 12 -4.513 -25.107 -19.901 89 HD2 LYS 12 2HD LYS 12 -2.651 -23.560 -19.406 90 HD3 LYS 12 1HD LYS 12 -3.793 -22.218 -19.325 91 HE2 LYS 12 2HE LYS 12 -4.963 -23.307 -17.443 92 HE3 LYS 12 1HE LYS 12 -3.828 -24.669 -17.524 93 HZ1 LYS 12 3HZ LYS 12 -2.003 -23.034 -17.287 94 HZ2 LYS 12 1HZ LYS 12 -3.008 -23.107 -15.922 95 HZ3 LYS 12 2HZ LYS 12 -3.159 -21.818 -17.018 96 H ASP 13 H ASP 13 -7.278 -26.008 -21.938 97 HA ASP 13 HA ASP 13 -9.268 -23.797 -22.157 98 HB2 ASP 13 2HB ASP 13 -9.380 -26.006 -23.441 99 HB3 ASP 13 1HB ASP 13 -9.721 -26.779 -21.893 100 H SER 14 H SER 14 -9.589 -22.808 -20.190 101 HA SER 14 HA SER 14 -9.861 -24.560 -17.765 102 HB2 SER 14 2HB SER 14 -7.881 -22.935 -17.987 103 HB3 SER 14 1HB SER 14 -9.064 -21.637 -17.849 104 HG SER 14 HG SER 14 -8.438 -22.048 -15.797 105 HA PRO 15 HA PRO 15 -13.826 -22.256 -18.694 106 HB2 PRO 15 2HB PRO 15 -15.499 -24.414 -18.608 107 HB3 PRO 15 1HB PRO 15 -14.673 -23.892 -20.090 108 HG2 PRO 15 2HG PRO 15 -13.988 -26.103 -18.219 109 HG3 PRO 15 1HG PRO 15 -13.893 -26.049 -19.985 110 HD2 PRO 15 2HD PRO 15 -11.729 -25.755 -18.354 111 HD3 PRO 15 1HD PRO 15 -11.840 -25.038 -19.976 112 H ARG 16 H ARG 16 -15.482 -21.795 -17.129 113 HA ARG 16 HA ARG 16 -15.177 -23.172 -14.482 114 HB2 ARG 16 2HB ARG 16 -15.362 -20.215 -15.123 115 HB3 ARG 16 1HB ARG 16 -15.438 -20.878 -13.490 116 HG2 ARG 16 2HG ARG 16 -13.215 -21.863 -13.752 117 HG3 ARG 16 1HG ARG 16 -13.135 -21.289 -15.418 118 HD2 ARG 16 2HD ARG 16 -11.901 -19.742 -13.960 119 HD3 ARG 16 1HD ARG 16 -13.366 -18.934 -14.555 120 HE ARG 16 HE ARG 16 -14.318 -19.111 -12.376 121 HH11 ARG 16 1HH1 ARG 16 -11.039 -19.501 -12.198 122 HH12 ARG 16 2HH1 ARG 16 -11.026 -20.418 -10.729 123 HH21 ARG 16 1HH2 ARG 16 -14.459 -20.892 -10.677 124 HH22 ARG 16 2HH2 ARG 16 -12.959 -21.205 -9.869 125 H ALA 17 H ALA 17 -17.132 -23.425 -13.317 126 HA ALA 17 HA ALA 17 -19.628 -22.857 -14.866 127 HB1 ALA 17 1HB ALA 17 -20.391 -24.497 -12.871 128 HB2 ALA 17 2HB ALA 17 -18.669 -24.883 -12.897 129 HB3 ALA 17 3HB ALA 17 -19.645 -25.104 -14.350 130 H SER 18 H SER 18 -18.197 -20.810 -13.278 131 HA SER 18 HA SER 18 -20.398 -20.111 -11.373 132 HB2 SER 18 2HB SER 18 -18.072 -21.031 -10.483 133 HB3 SER 18 1HB SER 18 -17.521 -19.397 -10.841 134 HG SER 18 HG SER 18 -19.441 -18.728 -9.563 135 H LEU 19 H LEU 19 -20.806 -17.839 -11.285 136 HA LEU 19 HA LEU 19 -19.677 -16.364 -13.587 137 HB2 LEU 19 2HB LEU 19 -22.214 -16.409 -12.051 138 HB3 LEU 19 1HB LEU 19 -21.720 -14.814 -12.619 139 HG LEU 19 HG LEU 19 -21.259 -16.708 -14.743 140 HD11 LEU 19 1HD1 LEU 19 -23.342 -17.736 -15.115 141 HD12 LEU 19 2HD1 LEU 19 -24.158 -16.672 -13.972 142 HD13 LEU 19 3HD1 LEU 19 -23.094 -17.939 -13.378 143 HD21 LEU 19 3HD2 LEU 19 -21.698 -14.274 -15.045 144 HD22 LEU 19 1HD2 LEU 19 -23.320 -14.490 -14.408 145 HD23 LEU 19 2HD2 LEU 19 -22.885 -15.221 -15.952 146 H ILE 20 H ILE 20 -18.753 -16.712 -10.500 147 HA ILE 20 HA ILE 20 -18.295 -13.897 -9.731 148 HB ILE 20 HB ILE 20 -16.898 -15.013 -7.935 149 HG12 ILE 20 2HG1 ILE 20 -17.774 -17.664 -9.130 150 HG13 ILE 20 1HG1 ILE 20 -16.210 -16.949 -9.504 151 HG21 ILE 20 1HG2 ILE 20 -19.172 -14.752 -7.371 152 HG22 ILE 20 2HG2 ILE 20 -18.824 -16.443 -7.010 153 HG23 ILE 20 3HG2 ILE 20 -19.683 -16.014 -8.491 154 HD11 ILE 20 3HD1 ILE 20 -17.245 -17.860 -6.824 155 HD12 ILE 20 1HD1 ILE 20 -15.856 -16.784 -6.975 156 HD13 ILE 20 2HD1 ILE 20 -15.799 -18.400 -7.679 157 HA PRO 21 HA PRO 21 -14.853 -13.716 -12.525 158 HB2 PRO 21 2HB PRO 21 -13.409 -11.637 -11.485 159 HB3 PRO 21 1HB PRO 21 -14.929 -11.412 -12.375 160 HG2 PRO 21 2HG PRO 21 -14.446 -11.419 -9.439 161 HG3 PRO 21 1HG PRO 21 -15.504 -10.385 -10.407 162 HD2 PRO 21 2HD PRO 21 -16.403 -12.507 -8.942 163 HD3 PRO 21 1HD PRO 21 -17.211 -11.918 -10.417 164 H ASP 22 H ASP 22 -12.608 -14.319 -12.645 165 HA ASP 22 HA ASP 22 -11.649 -15.761 -10.230 166 HB2 ASP 22 2HB ASP 22 -11.874 -16.756 -12.584 167 HB3 ASP 22 1HB ASP 22 -10.499 -15.745 -13.031 168 H ALA 23 H ALA 23 -10.426 -14.469 -8.915 169 HA ALA 23 HA ALA 23 -8.132 -13.002 -10.123 170 HB1 ALA 23 1HB ALA 23 -9.881 -11.709 -8.038 171 HB2 ALA 23 2HB ALA 23 -10.330 -11.625 -9.743 172 HB3 ALA 23 3HB ALA 23 -8.797 -10.942 -9.199 173 H THR 24 H THR 24 -6.402 -12.681 -8.593 174 HA THR 24 HA THR 24 -6.608 -14.411 -6.155 175 HB THR 24 HB THR 24 -4.226 -13.446 -7.777 176 HG1 THR 24 1HG THR 24 -5.418 -14.918 -8.937 177 HG21 THR 24 3HG2 THR 24 -4.526 -15.170 -5.336 178 HG22 THR 24 1HG2 THR 24 -3.339 -13.909 -5.668 179 HG23 THR 24 2HG2 THR 24 -3.206 -15.476 -6.465 180 H HIS 25 H HIS 25 -6.634 -13.343 -4.226 181 HA HIS 25 HA HIS 25 -6.157 -10.454 -4.070 182 HB2 HIS 25 2HB HIS 25 -6.837 -12.661 -2.108 183 HB3 HIS 25 1HB HIS 25 -6.651 -10.978 -1.614 184 HD2 HIS 25 2HD HIS 25 -8.669 -9.204 -2.652 185 HE1 HIS 25 1HE HIS 25 -11.201 -12.296 -4.022 186 HE2 HIS 25 2HE HIS 25 -11.039 -9.807 -3.560 187 H LEU 26 H LEU 26 -4.161 -9.591 -3.741 188 HA LEU 26 HA LEU 26 -1.887 -9.403 -3.173 189 HB2 LEU 26 2HB LEU 26 -3.040 -11.139 -0.970 190 HB3 LEU 26 1HB LEU 26 -1.417 -10.454 -0.897 191 HG LEU 26 HG LEU 26 -3.893 -8.774 -1.349 192 HD11 LEU 26 1HD1 LEU 26 -2.509 -9.631 1.194 193 HD12 LEU 26 2HD1 LEU 26 -4.232 -9.664 0.818 194 HD13 LEU 26 3HD1 LEU 26 -3.423 -8.125 1.110 195 HD21 LEU 26 3HD2 LEU 26 -1.949 -7.606 -2.059 196 HD22 LEU 26 1HD2 LEU 26 -0.988 -8.228 -0.716 197 HD23 LEU 26 2HD2 LEU 26 -2.242 -7.024 -0.420 198 H GLY 27 H GLY 27 -1.914 -12.646 -1.755 199 HA2 GLY 27 2HA GLY 27 -1.082 -14.693 -2.567 200 HA3 GLY 27 1HA GLY 27 -0.978 -13.977 -4.172 201 HA PRO 28 HA PRO 28 3.401 -14.150 -3.293 202 HB2 PRO 28 2HB PRO 28 4.284 -12.921 -5.571 203 HB3 PRO 28 1HB PRO 28 3.746 -14.613 -5.535 204 HG2 PRO 28 2HG PRO 28 2.265 -12.177 -6.411 205 HG3 PRO 28 1HG PRO 28 2.318 -13.789 -7.145 206 HD2 PRO 28 2HD PRO 28 0.247 -12.951 -5.621 207 HD3 PRO 28 1HD PRO 28 0.763 -14.651 -5.687 208 H GLN 29 H GLN 29 4.980 -12.640 -2.568 209 HA GLN 29 HA GLN 29 4.202 -9.762 -2.698 210 HB2 GLN 29 2HB GLN 29 4.700 -9.591 -0.277 211 HB3 GLN 29 1HB GLN 29 3.396 -10.733 -0.591 212 HG2 GLN 29 2HG GLN 29 5.319 -12.515 -0.630 213 HG3 GLN 29 1HG GLN 29 6.231 -11.284 0.240 214 HE21 GLN 29 1HE2 GLN 29 5.682 -10.875 2.439 215 HE22 GLN 29 2HE2 GLN 29 4.473 -11.733 3.267 216 H PHE 30 H PHE 30 5.877 -9.452 -4.218 217 HA PHE 30 HA PHE 30 8.646 -9.547 -3.066 218 HB2 PHE 30 2HB PHE 30 7.570 -10.293 -5.795 219 HB3 PHE 30 1HB PHE 30 9.277 -9.927 -5.545 220 HD1 PHE 30 1HD PHE 30 6.513 -12.212 -4.602 221 HD2 PHE 30 2HD PHE 30 10.732 -11.438 -4.384 222 HE1 PHE 30 1HE PHE 30 6.889 -14.505 -3.736 223 HE2 PHE 30 2HE PHE 30 11.109 -13.728 -3.518 224 HZ PHE 30 HZ PHE 30 9.188 -15.264 -3.193 225 H CYS 31 H CYS 31 9.741 -7.566 -3.259 226 HA CYS 31 HA CYS 31 8.228 -5.252 -4.210 227 HB2 CYS 31 2HB CYS 31 9.910 -5.415 -2.264 228 HB3 CYS 31 1HB CYS 31 11.169 -5.390 -3.493 229 HG CYS 31 HG CYS 31 10.735 -2.908 -2.830 230 H LYS 32 H LYS 32 8.132 -4.701 -6.337 231 HA LYS 32 HA LYS 32 10.232 -5.710 -8.191 232 HB2 LYS 32 2HB LYS 32 7.482 -4.487 -8.575 233 HB3 LYS 32 1HB LYS 32 8.513 -5.043 -9.894 234 HG2 LYS 32 2HG LYS 32 8.537 -7.315 -8.905 235 HG3 LYS 32 1HG LYS 32 7.469 -6.756 -7.618 236 HD2 LYS 32 2HD LYS 32 6.774 -6.573 -10.561 237 HD3 LYS 32 1HD LYS 32 6.280 -7.911 -9.525 238 HE2 LYS 32 2HE LYS 32 5.187 -6.227 -7.990 239 HE3 LYS 32 1HE LYS 32 5.524 -4.987 -9.214 240 HZ1 LYS 32 3HZ LYS 32 3.988 -7.500 -9.622 241 HZ2 LYS 32 1HZ LYS 32 4.406 -6.416 -10.858 242 HZ3 LYS 32 2HZ LYS 32 3.355 -5.922 -9.617 243 H SER 33 H SER 33 9.414 -2.825 -6.511 244 HA SER 33 HA SER 33 10.179 -0.916 -8.565 245 HB2 SER 33 2HB SER 33 9.804 -0.846 -5.566 246 HB3 SER 33 1HB SER 33 10.228 0.591 -6.493 247 HG SER 33 HG SER 33 7.849 -0.756 -6.291 248 H CYS 34 H CYS 34 11.829 -1.570 -5.418 249 HA CYS 34 HA CYS 34 14.342 -0.593 -6.567 250 HB2 CYS 34 2HB CYS 34 15.152 -0.679 -4.303 251 HB3 CYS 34 1HB CYS 34 13.509 -0.054 -4.268 252 HG CYS 34 HG CYS 34 12.716 -2.439 -3.444 253 H TRP 35 H TRP 35 13.207 -3.779 -5.345 254 HA TRP 35 HA TRP 35 14.671 -5.353 -7.205 255 HB2 TRP 35 2HB TRP 35 16.501 -6.146 -5.613 256 HB3 TRP 35 1HB TRP 35 16.712 -4.509 -6.219 257 HD1 TRP 35 HD TRP 35 15.155 -6.258 -3.111 258 HE1 TRP 35 1HE TRP 35 15.567 -4.736 -1.072 259 HE3 TRP 35 3HE TRP 35 17.459 -2.303 -5.391 260 HZ2 TRP 35 2HZ TRP 35 16.722 -2.190 -0.478 261 HZ3 TRP 35 3HZ TRP 35 18.205 -0.348 -4.064 262 HH2 TRP 35 HH TRP 35 17.840 -0.286 -1.613 263 H PHE 36 H PHE 36 15.075 -7.700 -6.092 264 HA PHE 36 HA PHE 36 12.521 -8.643 -5.175 265 HB2 PHE 36 2HB PHE 36 15.322 -9.822 -5.052 266 HB3 PHE 36 1HB PHE 36 13.848 -10.744 -4.769 267 HD1 PHE 36 1HD PHE 36 12.099 -10.839 -6.645 268 HD2 PHE 36 2HD PHE 36 16.119 -9.444 -7.237 269 HE1 PHE 36 1HE PHE 36 11.877 -11.227 -9.085 270 HE2 PHE 36 2HE PHE 36 15.895 -9.828 -9.676 271 HZ PHE 36 HZ PHE 36 13.775 -10.723 -10.601 272 H GLU 37 H GLU 37 14.947 -9.879 -3.035 273 HA GLU 37 HA GLU 37 15.136 -9.818 -0.711 274 HB2 GLU 37 2HB GLU 37 16.164 -7.675 -1.449 275 HB3 GLU 37 1HB GLU 37 14.595 -6.886 -1.259 276 HG2 GLU 37 2HG GLU 37 14.560 -7.469 1.123 277 HG3 GLU 37 1HG GLU 37 16.095 -8.323 0.953 278 H ASN 38 H ASN 38 12.980 -10.993 -0.707 279 HA ASN 38 HA ASN 38 10.629 -9.390 0.092 280 HB2 ASN 38 2HB ASN 38 9.550 -11.630 0.089 281 HB3 ASN 38 1HB ASN 38 10.431 -11.337 -1.408 282 HD21 ASN 38 1HD2 ASN 38 10.279 -13.878 -1.331 283 HD22 ASN 38 2HD2 ASN 38 11.572 -14.680 -0.580 284 H LYS 39 H LYS 39 13.350 -10.210 1.713 285 HA LYS 39 HA LYS 39 12.414 -11.522 4.094 286 HB2 LYS 39 2HB LYS 39 14.599 -10.787 4.972 287 HB3 LYS 39 1HB LYS 39 14.769 -11.391 3.326 288 HG2 LYS 39 2HG LYS 39 14.775 -9.095 2.454 289 HG3 LYS 39 1HG LYS 39 14.515 -8.460 4.077 290 HD2 LYS 39 2HD LYS 39 16.874 -8.290 3.575 291 HD3 LYS 39 1HD LYS 39 16.660 -9.562 4.778 292 HE2 LYS 39 2HE LYS 39 16.765 -11.279 3.013 293 HE3 LYS 39 1HE LYS 39 16.950 -10.011 1.784 294 HZ1 LYS 39 3HZ LYS 39 18.935 -9.243 2.864 295 HZ2 LYS 39 1HZ LYS 39 19.102 -10.904 2.563 296 HZ3 LYS 39 2HZ LYS 39 18.741 -10.358 4.131 297 H GLY 40 H GLY 40 12.573 -8.125 3.108 298 HA2 GLY 40 2HA GLY 40 11.082 -7.431 5.615 299 HA3 GLY 40 1HA GLY 40 12.402 -6.413 5.042 300 H LEU 41 H LEU 41 9.697 -8.002 3.334 301 HA LEU 41 HA LEU 41 9.214 -5.510 1.829 302 HB2 LEU 41 2HB LEU 41 9.327 -7.643 0.664 303 HB3 LEU 41 1HB LEU 41 8.076 -8.317 1.708 304 HG LEU 41 HG LEU 41 6.512 -6.523 0.846 305 HD11 LEU 41 1HD1 LEU 41 8.238 -6.153 -1.534 306 HD12 LEU 41 2HD1 LEU 41 8.744 -5.300 -0.079 307 HD13 LEU 41 3HD1 LEU 41 7.141 -5.019 -0.751 308 HD21 LEU 41 3HD2 LEU 41 7.623 -8.198 -1.399 309 HD22 LEU 41 1HD2 LEU 41 5.945 -7.753 -1.093 310 HD23 LEU 41 2HD2 LEU 41 6.753 -8.921 -0.047 311 H VAL 42 H VAL 42 7.262 -4.370 1.874 312 HA VAL 42 HA VAL 42 5.394 -4.974 4.139 313 HB VAL 42 HB VAL 42 6.113 -2.368 2.736 314 HG11 VAL 42 1HG1 VAL 42 4.861 -1.383 4.716 315 HG12 VAL 42 2HG1 VAL 42 4.258 -3.009 5.036 316 HG13 VAL 42 3HG1 VAL 42 3.857 -2.203 3.519 317 HG21 VAL 42 3HG2 VAL 42 6.755 -3.299 5.549 318 HG22 VAL 42 1HG2 VAL 42 7.291 -1.803 4.785 319 HG23 VAL 42 2HG2 VAL 42 7.897 -3.354 4.207 320 H GLU 43 H GLU 43 3.558 -5.894 3.281 321 HA GLU 43 HA GLU 43 2.900 -5.666 0.453 322 HB2 GLU 43 2HB GLU 43 1.557 -6.893 2.872 323 HB3 GLU 43 1HB GLU 43 0.931 -7.060 1.232 324 HG2 GLU 43 2HG GLU 43 3.012 -8.123 0.510 325 HG3 GLU 43 1HG GLU 43 3.713 -7.889 2.112 326 H CYS 44 H CYS 44 1.982 -3.863 -0.342 327 HA CYS 44 HA CYS 44 0.180 -2.103 1.183 328 HB2 CYS 44 2HB CYS 44 1.843 -1.839 -0.978 329 HB3 CYS 44 1HB CYS 44 0.307 -2.086 -1.800 330 HG CYS 44 HG CYS 44 -0.583 -0.007 -0.277 331 H ASN 45 H ASN 45 -2.171 -1.814 0.056 332 HA ASN 45 HA ASN 45 -3.631 -4.224 0.267 333 HB2 ASN 45 2HB ASN 45 -4.084 -1.643 -1.246 334 HB3 ASN 45 1HB ASN 45 -5.317 -2.900 -1.168 335 HD21 ASN 45 1HD2 ASN 45 -5.749 -0.326 0.012 336 HD22 ASN 45 2HD2 ASN 45 -5.817 -0.513 1.698 337 H ASN 46 H ASN 46 -3.184 -2.599 -2.898 338 HA ASN 46 HA ASN 46 -3.009 -5.303 -4.179 339 HB2 ASN 46 2HB ASN 46 -3.854 -2.574 -5.201 340 HB3 ASN 46 1HB ASN 46 -3.773 -4.028 -6.200 341 HD21 ASN 46 1HD2 ASN 46 -4.874 -6.010 -4.701 342 HD22 ASN 46 2HD2 ASN 46 -6.451 -5.623 -4.206 343 H HIS 47 H HIS 47 -0.730 -3.688 -2.935 344 HA HIS 47 HA HIS 47 1.087 -3.746 -5.302 345 HB2 HIS 47 2HB HIS 47 0.482 -1.513 -5.431 346 HB3 HIS 47 1HB HIS 47 0.066 -1.421 -3.731 347 HD2 HIS 47 2HD HIS 47 3.715 -2.204 -5.143 348 HE1 HIS 47 1HE HIS 47 3.859 1.304 -2.799 349 HE2 HIS 47 2HE HIS 47 5.242 -0.375 -4.100 350 H TYR 48 H TYR 48 3.354 -4.019 -4.677 351 HA TYR 48 HA TYR 48 3.761 -4.703 -1.779 352 HB2 TYR 48 2HB TYR 48 5.109 -5.853 -4.243 353 HB3 TYR 48 1HB TYR 48 5.323 -6.407 -2.585 354 HD1 TYR 48 1HD TYR 48 3.225 -7.259 -1.328 355 HD2 TYR 48 2HD TYR 48 3.414 -6.721 -5.584 356 HE1 TYR 48 1HE TYR 48 1.290 -8.789 -1.610 357 HE2 TYR 48 2HE TYR 48 1.482 -8.243 -5.867 358 HH TYR 48 HH TYR 48 -0.419 -9.054 -4.534 359 H LEU 49 H LEU 49 5.244 -3.404 -0.787 360 HA LEU 49 HA LEU 49 7.627 -2.447 -2.309 361 HB2 LEU 49 2HB LEU 49 5.732 -0.709 -2.212 362 HB3 LEU 49 1HB LEU 49 6.009 -0.652 -0.473 363 HG LEU 49 HG LEU 49 8.453 -0.177 -0.989 364 HD11 LEU 49 1HD1 LEU 49 8.550 0.963 -3.394 365 HD12 LEU 49 2HD1 LEU 49 7.283 -0.215 -3.742 366 HD13 LEU 49 3HD1 LEU 49 8.867 -0.762 -3.189 367 HD21 LEU 49 3HD2 LEU 49 6.875 1.606 -0.322 368 HD22 LEU 49 1HD2 LEU 49 6.403 1.817 -2.008 369 HD23 LEU 49 2HD2 LEU 49 8.046 2.205 -1.498 370 H CYS 50 H CYS 50 9.498 -2.339 -0.889 371 HA CYS 50 HA CYS 50 9.020 -3.574 1.764 372 HB2 CYS 50 2HB CYS 50 11.375 -4.177 1.662 373 HB3 CYS 50 1HB CYS 50 10.590 -4.626 0.154 374 HG CYS 50 HG CYS 50 11.772 -1.890 -0.161 375 H LEU 51 H LEU 51 10.148 -2.749 3.622 376 HA LEU 51 HA LEU 51 9.730 0.003 4.078 377 HB2 LEU 51 2HB LEU 51 9.989 -2.047 5.663 378 HB3 LEU 51 1HB LEU 51 11.711 -1.671 5.611 379 HG LEU 51 HG LEU 51 10.950 0.760 6.170 380 HD11 LEU 51 1HD1 LEU 51 8.833 1.084 7.056 381 HD12 LEU 51 2HD1 LEU 51 8.661 -0.606 7.532 382 HD13 LEU 51 3HD1 LEU 51 8.476 -0.143 5.840 383 HD21 LEU 51 3HD2 LEU 51 10.615 -1.371 8.299 384 HD22 LEU 51 1HD2 LEU 51 11.164 0.289 8.529 385 HD23 LEU 51 2HD2 LEU 51 12.184 -0.866 7.672 386 H ASN 52 H ASN 52 12.557 -1.686 2.847 387 HA ASN 52 HA ASN 52 14.561 0.256 3.408 388 HB2 ASN 52 2HB ASN 52 14.112 -1.816 1.267 389 HB3 ASN 52 1HB ASN 52 15.551 -0.803 1.240 390 HD21 ASN 52 1HD2 ASN 52 14.178 -3.636 2.614 391 HD22 ASN 52 2HD2 ASN 52 15.363 -3.911 3.798 392 H CYS 53 H CYS 53 12.507 -0.075 0.448 393 HA CYS 53 HA CYS 53 13.458 2.597 -0.445 394 HB2 CYS 53 2HB CYS 53 12.340 2.020 -2.545 395 HB3 CYS 53 1HB CYS 53 13.365 0.687 -2.028 396 HG CYS 53 HG CYS 53 10.247 0.676 -1.765 397 H LEU 54 H LEU 54 10.638 1.025 0.883 398 HA LEU 54 HA LEU 54 8.629 2.965 0.299 399 HB2 LEU 54 2HB LEU 54 8.320 0.666 1.215 400 HB3 LEU 54 1HB LEU 54 9.007 1.209 2.742 401 HG LEU 54 HG LEU 54 6.668 2.642 1.537 402 HD11 LEU 54 1HD1 LEU 54 6.418 0.337 3.467 403 HD12 LEU 54 2HD1 LEU 54 6.293 0.107 1.723 404 HD13 LEU 54 3HD1 LEU 54 5.134 1.139 2.563 405 HD21 LEU 54 3HD2 LEU 54 6.326 2.601 4.241 406 HD22 LEU 54 1HD2 LEU 54 7.235 3.858 3.402 407 HD23 LEU 54 2HD2 LEU 54 8.085 2.503 4.145 408 H THR 55 H THR 55 10.898 2.693 3.024 409 HA THR 55 HA THR 55 9.941 4.933 4.542 410 HB THR 55 HB THR 55 12.653 3.597 4.286 411 HG1 THR 55 1HG THR 55 11.907 2.519 6.165 412 HG21 THR 55 3HG2 THR 55 13.185 4.553 6.471 413 HG22 THR 55 1HG2 THR 55 11.607 5.338 6.538 414 HG23 THR 55 2HG2 THR 55 12.800 5.855 5.347 415 H LEU 56 H LEU 56 12.458 4.717 1.992 416 HA LEU 56 HA LEU 56 13.423 7.392 2.182 417 HB2 LEU 56 2HB LEU 56 13.219 5.326 -0.010 418 HB3 LEU 56 1HB LEU 56 13.935 6.905 -0.330 419 HG LEU 56 HG LEU 56 14.832 5.118 1.945 420 HD11 LEU 56 1HD1 LEU 56 15.411 3.845 0.051 421 HD12 LEU 56 2HD1 LEU 56 16.855 4.816 0.333 422 HD13 LEU 56 3HD1 LEU 56 15.716 5.278 -0.931 423 HD21 LEU 56 3HD2 LEU 56 15.391 7.484 2.215 424 HD22 LEU 56 1HD2 LEU 56 16.030 7.548 0.573 425 HD23 LEU 56 2HD2 LEU 56 16.853 6.589 1.803 426 H LEU 57 H LEU 57 10.733 6.042 0.251 427 HA LEU 57 HA LEU 57 9.927 8.819 -0.524 428 HB2 LEU 57 2HB LEU 57 10.301 6.889 -2.186 429 HB3 LEU 57 1HB LEU 57 8.831 6.177 -1.516 430 HG LEU 57 HG LEU 57 7.941 8.690 -1.957 431 HD11 LEU 57 1HD1 LEU 57 9.917 8.157 -4.188 432 HD12 LEU 57 2HD1 LEU 57 10.162 9.340 -2.904 433 HD13 LEU 57 3HD1 LEU 57 8.834 9.542 -4.046 434 HD21 LEU 57 3HD2 LEU 57 8.123 6.543 -4.096 435 HD22 LEU 57 1HD2 LEU 57 6.911 7.820 -3.998 436 HD23 LEU 57 2HD2 LEU 57 6.953 6.548 -2.777 437 H LEU 58 H LEU 58 9.356 6.949 2.067 438 HA LEU 58 HA LEU 58 7.563 6.738 3.587 439 HB2 LEU 58 2HB LEU 58 7.222 9.208 2.149 440 HB3 LEU 58 1HB LEU 58 5.642 8.490 2.436 441 HG LEU 58 HG LEU 58 6.284 9.949 4.299 442 HD11 LEU 58 1HD1 LEU 58 5.517 8.550 5.952 443 HD12 LEU 58 2HD1 LEU 58 6.592 7.233 5.480 444 HD13 LEU 58 3HD1 LEU 58 5.134 7.561 4.542 445 HD21 LEU 58 3HD2 LEU 58 8.817 9.301 3.870 446 HD22 LEU 58 1HD2 LEU 58 8.473 8.075 5.091 447 HD23 LEU 58 2HD2 LEU 58 8.271 9.784 5.476 448 H SER 59 H SER 59 5.449 5.653 3.704 449 HA SER 59 HA SER 59 4.967 3.833 1.501 450 HB2 SER 59 2HB SER 59 4.441 3.417 3.917 451 HB3 SER 59 1HB SER 59 3.185 4.649 3.832 452 HG SER 59 HG SER 59 1.982 3.040 3.199 453 H VAL 60 H VAL 60 3.022 6.482 2.846 454 HA VAL 60 HA VAL 60 2.272 7.395 0.136 455 HB VAL 60 HB VAL 60 -0.134 7.259 0.700 456 HG11 VAL 60 1HG1 VAL 60 1.172 5.396 -0.473 457 HG12 VAL 60 2HG1 VAL 60 -0.373 4.935 0.240 458 HG13 VAL 60 3HG1 VAL 60 1.132 4.540 1.069 459 HG21 VAL 60 3HG2 VAL 60 -0.443 7.226 2.983 460 HG22 VAL 60 1HG2 VAL 60 0.994 6.245 3.270 461 HG23 VAL 60 2HG2 VAL 60 -0.487 5.487 2.689 462 H SER 61 H SER 61 3.898 8.896 1.631 463 HA SER 61 HA SER 61 2.958 10.507 3.734 464 HB2 SER 61 2HB SER 61 4.591 12.142 2.921 465 HB3 SER 61 1HB SER 61 5.234 10.522 2.681 466 HG SER 61 HG SER 61 5.396 11.970 0.838 467 H ASN 62 H ASN 62 2.361 10.817 0.281 468 HA ASN 62 HA ASN 62 0.103 12.689 0.873 469 HB2 ASN 62 2HB ASN 62 2.205 13.708 -0.186 470 HB3 ASN 62 1HB ASN 62 1.855 12.717 -1.602 471 HD21 ASN 62 1HD2 ASN 62 1.433 14.721 -2.862 472 HD22 ASN 62 2HD2 ASN 62 -0.024 15.565 -2.654 473 H ARG 63 H ARG 63 1.533 10.463 -1.521 474 HA ARG 63 HA ARG 63 -1.095 9.116 -1.885 475 HB2 ARG 63 2HB ARG 63 0.456 10.615 -4.015 476 HB3 ARG 63 1HB ARG 63 -0.788 9.430 -4.402 477 HG2 ARG 63 2HG ARG 63 -2.461 10.749 -3.198 478 HG3 ARG 63 1HG ARG 63 -1.228 11.911 -2.714 479 HD2 ARG 63 2HD ARG 63 -2.404 12.788 -4.658 480 HD3 ARG 63 1HD ARG 63 -0.755 12.339 -5.136 481 HE ARG 63 HE ARG 63 -2.460 10.061 -5.452 482 HH11 ARG 63 1HH1 ARG 63 -1.670 13.132 -6.929 483 HH12 ARG 63 2HH1 ARG 63 -2.281 12.659 -8.476 484 HH21 ARG 63 1HH2 ARG 63 -3.304 9.517 -7.457 485 HH22 ARG 63 2HH2 ARG 63 -3.194 10.637 -8.774 486 H CYS 64 H CYS 64 -0.853 6.985 -2.775 487 HA CYS 64 HA CYS 64 1.887 5.856 -2.669 488 HB2 CYS 64 2HB CYS 64 -0.481 4.933 -1.812 489 HB3 CYS 64 1HB CYS 64 -0.554 4.310 -3.456 490 HG CYS 64 HG CYS 64 1.500 3.428 -1.302 491 HA PRO 65 HA PRO 65 1.936 6.753 -7.092 492 HB2 PRO 65 2HB PRO 65 4.450 5.793 -7.611 493 HB3 PRO 65 1HB PRO 65 4.137 7.386 -6.891 494 HG2 PRO 65 2HG PRO 65 4.898 4.827 -5.557 495 HG3 PRO 65 1HG PRO 65 5.487 6.471 -5.257 496 HD2 PRO 65 2HD PRO 65 3.654 5.291 -3.675 497 HD3 PRO 65 1HD PRO 65 3.649 7.041 -3.989 498 H ILE 66 H ILE 66 2.890 3.557 -5.783 499 HA ILE 66 HA ILE 66 2.632 2.217 -8.339 500 HB ILE 66 HB ILE 66 2.552 1.102 -5.525 501 HG12 ILE 66 2HG1 ILE 66 4.567 2.488 -5.911 502 HG13 ILE 66 1HG1 ILE 66 4.997 0.784 -5.832 503 HG21 ILE 66 1HG2 ILE 66 1.979 -0.722 -6.818 504 HG22 ILE 66 2HG2 ILE 66 3.733 -0.804 -6.991 505 HG23 ILE 66 3HG2 ILE 66 2.756 -0.073 -8.263 506 HD11 ILE 66 3HD1 ILE 66 4.710 2.486 -8.321 507 HD12 ILE 66 1HD1 ILE 66 4.874 0.729 -8.362 508 HD13 ILE 66 2HD1 ILE 66 6.177 1.722 -7.709 509 H CYS 67 H CYS 67 0.464 2.479 -5.512 510 HA CYS 67 HA CYS 67 -1.638 0.851 -6.596 511 HB2 CYS 67 2HB CYS 67 -1.570 3.121 -4.592 512 HB3 CYS 67 1HB CYS 67 -3.004 2.145 -4.889 513 HG CYS 67 HG CYS 67 -0.785 1.306 -3.103 514 H LYS 68 H LYS 68 -0.540 4.036 -7.408 515 HA LYS 68 HA LYS 68 -1.350 5.660 -8.902 516 HB2 LYS 68 2HB LYS 68 -2.724 3.125 -9.846 517 HB3 LYS 68 1HB LYS 68 -2.731 4.630 -10.763 518 HG2 LYS 68 2HG LYS 68 -0.275 4.614 -10.837 519 HG3 LYS 68 1HG LYS 68 -0.246 3.128 -9.887 520 HD2 LYS 68 2HD LYS 68 -1.495 1.959 -11.660 521 HD3 LYS 68 1HD LYS 68 -1.539 3.443 -12.612 522 HE2 LYS 68 2HE LYS 68 0.929 3.456 -12.732 523 HE3 LYS 68 1HE LYS 68 0.981 1.966 -11.769 524 HZ1 LYS 68 3HZ LYS 68 1.016 1.497 -14.162 525 HZ2 LYS 68 1HZ LYS 68 -0.472 2.291 -14.342 526 HZ3 LYS 68 2HZ LYS 68 -0.376 0.866 -13.420 527 H MET 69 H MET 69 -2.880 5.087 -6.354 528 HA MET 69 HA MET 69 -5.482 6.291 -7.246 529 HB2 MET 69 2HB MET 69 -5.423 3.808 -6.508 530 HB3 MET 69 1HB MET 69 -5.205 4.450 -4.878 531 HG2 MET 69 2HG MET 69 -7.282 5.600 -4.933 532 HG3 MET 69 1HG MET 69 -7.427 5.414 -6.680 533 HE1 MET 69 3HE MET 69 -8.279 3.739 -3.175 534 HE2 MET 69 1HE MET 69 -9.803 3.307 -3.963 535 HE3 MET 69 2HE MET 69 -9.159 4.939 -4.119 536 HA PRO 70 HA PRO 70 -4.300 9.315 -4.205 537 HB2 PRO 70 2HB PRO 70 -6.562 10.838 -4.243 538 HB3 PRO 70 1HB PRO 70 -5.357 10.873 -5.544 539 HG2 PRO 70 2HG PRO 70 -8.017 9.590 -5.470 540 HG3 PRO 70 1HG PRO 70 -7.122 10.268 -6.836 541 HD2 PRO 70 2HD PRO 70 -7.361 7.558 -6.211 542 HD3 PRO 70 1HD PRO 70 -6.187 8.274 -7.333 543 H LEU 71 H LEU 71 -4.742 9.795 -1.999 544 HA LEU 71 HA LEU 71 -7.169 8.670 -0.718 545 HB2 LEU 71 2HB LEU 71 -5.737 7.364 0.864 546 HB3 LEU 71 1HB LEU 71 -5.586 6.798 -0.798 547 HG LEU 71 HG LEU 71 -3.672 8.928 -0.254 548 HD11 LEU 71 1HD1 LEU 71 -3.080 6.441 1.312 549 HD12 LEU 71 2HD1 LEU 71 -4.053 7.710 2.055 550 HD13 LEU 71 3HD1 LEU 71 -2.417 8.064 1.499 551 HD21 LEU 71 3HD2 LEU 71 -3.123 7.606 -2.074 552 HD22 LEU 71 1HD2 LEU 71 -3.715 6.129 -1.313 553 HD23 LEU 71 2HD2 LEU 71 -2.160 6.808 -0.830 554 HA PRO 72 HA PRO 72 -5.094 12.535 1.080 555 HB2 PRO 72 2HB PRO 72 -7.064 14.343 0.484 556 HB3 PRO 72 1HB PRO 72 -5.699 14.004 -0.599 557 HG2 PRO 72 2HG PRO 72 -8.498 12.983 -0.707 558 HG3 PRO 72 1HG PRO 72 -7.440 13.515 -2.024 559 HD2 PRO 72 2HD PRO 72 -7.871 10.902 -1.455 560 HD3 PRO 72 1HD PRO 72 -6.343 11.501 -2.138 561 H THR 73 H THR 73 -5.432 12.121 3.231 562 HA THR 73 HA THR 73 -7.969 11.359 4.388 563 HB THR 73 HB THR 73 -6.666 11.769 6.521 564 HG1 THR 73 1HG THR 73 -5.417 13.496 5.713 565 HG21 THR 73 3HG2 THR 73 -6.473 9.592 5.588 566 HG22 THR 73 1HG2 THR 73 -4.814 10.109 5.888 567 HG23 THR 73 2HG2 THR 73 -5.473 10.169 4.254 568 H LYS 74 H LYS 74 -6.249 14.445 4.045 569 HA LYS 74 HA LYS 74 -8.169 15.924 5.703 570 HB2 LYS 74 2HB LYS 74 -5.877 16.686 3.869 571 HB3 LYS 74 1HB LYS 74 -6.781 17.855 4.830 572 HG2 LYS 74 2HG LYS 74 -6.162 16.657 6.890 573 HG3 LYS 74 1HG LYS 74 -5.269 15.471 5.938 574 HD2 LYS 74 2HD LYS 74 -3.808 17.283 5.079 575 HD3 LYS 74 1HD LYS 74 -4.675 18.442 6.089 576 HE2 LYS 74 2HE LYS 74 -3.261 15.990 7.193 577 HE3 LYS 74 1HE LYS 74 -2.542 17.612 7.146 578 HZ1 LYS 74 3HZ LYS 74 -3.628 17.415 9.230 579 HZ2 LYS 74 1HZ LYS 74 -5.032 16.778 8.528 580 HZ3 LYS 74 2HZ LYS 74 -4.620 18.405 8.270 581 H LEU 75 H LEU 75 -9.912 17.097 4.958 582 HA LEU 75 HA LEU 75 -10.859 16.636 2.227 583 HB2 LEU 75 2HB LEU 75 -11.819 17.918 4.762 584 HB3 LEU 75 1HB LEU 75 -12.651 18.315 3.260 585 HG LEU 75 HG LEU 75 -13.713 16.395 4.419 586 HD11 LEU 75 1HD1 LEU 75 -14.140 15.273 2.461 587 HD12 LEU 75 2HD1 LEU 75 -12.433 15.134 2.043 588 HD13 LEU 75 3HD1 LEU 75 -13.283 16.657 1.783 589 HD21 LEU 75 3HD2 LEU 75 -11.418 15.602 5.343 590 HD22 LEU 75 1HD2 LEU 75 -11.234 14.790 3.788 591 HD23 LEU 75 2HD2 LEU 75 -12.577 14.366 4.850 592 H ARG 76 H ARG 76 -11.078 18.225 0.604 593 HA ARG 76 HA ARG 76 -9.094 20.222 0.327 594 HB2 ARG 76 2HB ARG 76 -10.533 20.982 -1.550 595 HB3 ARG 76 1HB ARG 76 -10.407 19.225 -1.504 596 HG2 ARG 76 2HG ARG 76 -12.579 19.432 0.006 597 HG3 ARG 76 1HG ARG 76 -12.747 20.975 -0.832 598 HD2 ARG 76 2HD ARG 76 -12.794 19.898 -2.985 599 HD3 ARG 76 1HD ARG 76 -12.327 18.338 -2.277 600 HE ARG 76 HE ARG 76 -14.755 19.504 -1.113 601 HH11 ARG 76 1HH1 ARG 76 -13.664 17.844 -3.951 602 HH12 ARG 76 2HH1 ARG 76 -15.016 16.766 -3.986 603 HH21 ARG 76 1HH2 ARG 76 -16.400 17.928 -1.034 604 HH22 ARG 76 2HH2 ARG 76 -16.554 16.814 -2.352 605 HA PRO 77 HA PRO 77 -10.581 23.576 2.772 606 HB2 PRO 77 2HB PRO 77 -9.633 25.727 1.364 607 HB3 PRO 77 1HB PRO 77 -8.596 24.679 2.353 608 HG2 PRO 77 2HG PRO 77 -9.009 24.692 -0.595 609 HG3 PRO 77 1HG PRO 77 -7.524 24.443 0.337 610 HD2 PRO 77 2HD PRO 77 -8.934 22.410 -0.791 611 HD3 PRO 77 1HD PRO 77 -7.953 22.220 0.679 612 H SER 78 H SER 78 -11.452 23.286 -0.593 613 HA SER 78 HA SER 78 -13.351 25.490 -0.679 614 HB2 SER 78 2HB SER 78 -13.912 24.501 -2.833 615 HB3 SER 78 1HB SER 78 -12.167 24.414 -2.623 616 HG SER 78 HG SER 78 -12.294 22.290 -2.335 617 H ALA 79 H ALA 79 -15.702 25.198 -0.825 618 HA ALA 79 HA ALA 79 -16.891 22.667 0.097 619 HB1 ALA 79 1HB ALA 79 -16.469 25.097 1.801 620 HB2 ALA 79 2HB ALA 79 -16.371 23.392 2.245 621 HB3 ALA 79 3HB ALA 79 -17.945 24.160 2.034 622 H ALA 80 H ALA 80 -17.700 23.329 -2.190 623 HA ALA 80 HA ALA 80 -19.483 24.050 -3.555 624 HB1 ALA 80 1HB ALA 80 -21.521 23.741 -2.536 625 HB2 ALA 80 2HB ALA 80 -21.107 24.774 -1.168 626 HB3 ALA 80 3HB ALA 80 -20.514 23.114 -1.232 627 HA PRO 81 HA PRO 81 -19.270 28.442 -3.714 628 HB2 PRO 81 2HB PRO 81 -21.575 29.130 -5.007 629 HB3 PRO 81 1HB PRO 81 -20.213 28.342 -5.826 630 HG2 PRO 81 2HG PRO 81 -22.778 27.187 -4.879 631 HG3 PRO 81 1HG PRO 81 -21.820 26.793 -6.315 632 HD2 PRO 81 2HD PRO 81 -21.861 25.294 -4.009 633 HD3 PRO 81 1HD PRO 81 -20.537 25.284 -5.193 634 H THR 82 H THR 82 -19.621 28.405 -1.257 635 HA THR 82 HA THR 82 -22.221 29.743 -0.578 636 HB THR 82 HB THR 82 -20.565 27.823 1.095 637 HG1 THR 82 1HG THR 82 -21.681 26.367 0.112 638 HG21 THR 82 3HG2 THR 82 -21.659 29.047 2.707 639 HG22 THR 82 1HG2 THR 82 -22.950 27.911 2.312 640 HG23 THR 82 2HG2 THR 82 -22.953 29.530 1.612 641 H ALA 83 H ALA 83 -21.958 31.719 0.365 642 HA ALA 83 HA ALA 83 -20.891 33.613 1.277 643 HB1 ALA 83 1HB ALA 83 -20.765 31.653 3.043 644 HB2 ALA 83 2HB ALA 83 -19.854 33.137 3.319 645 HB3 ALA 83 3HB ALA 83 -19.039 31.708 2.684 646 HA PRO 84 HA PRO 84 -17.272 32.808 -1.642 647 HB2 PRO 84 2HB PRO 84 -17.904 34.842 -3.408 648 HB3 PRO 84 1HB PRO 84 -18.365 33.140 -3.613 649 HG2 PRO 84 2HG PRO 84 -19.966 35.411 -2.526 650 HG3 PRO 84 1HG PRO 84 -20.452 34.116 -3.628 651 HD2 PRO 84 2HD PRO 84 -21.101 34.010 -1.027 652 HD3 PRO 84 1HD PRO 84 -20.654 32.540 -1.927 653 HA PRO 85 HA PRO 85 -15.917 37.019 -0.130 654 HB2 PRO 85 2HB PRO 85 -17.672 38.718 1.100 655 HB3 PRO 85 1HB PRO 85 -17.530 38.616 -0.666 656 HG2 PRO 85 2HG PRO 85 -19.729 37.800 1.017 657 HG3 PRO 85 1HG PRO 85 -19.641 37.873 -0.747 658 HD2 PRO 85 2HD PRO 85 -19.297 35.565 1.041 659 HD3 PRO 85 1HD PRO 85 -19.680 35.622 -0.679 660 H THR 86 H THR 86 -15.112 37.781 2.028 661 HA THR 86 HA THR 86 -15.584 35.802 4.154 662 HB THR 86 HB THR 86 -13.829 37.305 5.271 663 HG1 THR 86 1HG THR 86 -12.879 38.811 3.871 664 HG21 THR 86 3HG2 THR 86 -13.218 35.272 4.051 665 HG22 THR 86 1HG2 THR 86 -12.041 36.543 3.725 666 HG23 THR 86 2HG2 THR 86 -13.270 36.151 2.524 667 H GLY 87 H GLY 87 -16.098 36.573 6.404 668 HA2 GLY 87 2HA GLY 87 -18.277 38.580 6.317 669 HA3 GLY 87 1HA GLY 87 -17.959 37.461 7.645 670 H ALA 88 H ALA 88 -18.362 39.967 8.465 671 HA ALA 88 HA ALA 88 -15.703 40.794 9.454 672 HB1 ALA 88 1HB ALA 88 -17.410 42.900 8.167 673 HB2 ALA 88 2HB ALA 88 -16.421 41.865 7.137 674 HB3 ALA 88 3HB ALA 88 -15.659 42.861 8.377 675 H ALA 89 H ALA 89 -15.885 42.194 11.316 676 HA ALA 89 HA ALA 89 -18.592 42.137 12.587 677 HB1 ALA 89 1HB ALA 89 -15.751 42.345 13.626 678 HB2 ALA 89 2HB ALA 89 -16.851 40.975 13.793 679 HB3 ALA 89 3HB ALA 89 -17.171 42.474 14.664 680 H ASP 90 H ASP 90 -19.642 44.062 12.872 681 HA ASP 90 HA ASP 90 -18.204 46.593 12.252 682 HB2 ASP 90 2HB ASP 90 -20.402 45.814 11.190 683 HB3 ASP 90 1HB ASP 90 -21.153 46.129 12.755 684 H SER 91 H SER 91 -17.290 47.530 14.048 685 HA SER 91 HA SER 91 -18.101 47.042 16.763 686 HB2 SER 91 2HB SER 91 -15.864 47.807 16.079 687 HB3 SER 91 1HB SER 91 -16.548 49.313 15.473 688 HG SER 91 HG SER 91 -16.674 50.037 17.450 689 H ILE 92 H ILE 92 -19.542 48.171 18.076 690 HA ILE 92 HA ILE 92 -21.144 50.338 16.759 691 HB ILE 92 HB ILE 92 -21.824 48.362 18.968 692 HG12 ILE 92 2HG1 ILE 92 -22.874 48.527 16.127 693 HG13 ILE 92 1HG1 ILE 92 -21.572 47.443 16.622 694 HG21 ILE 92 1HG2 ILE 92 -24.187 49.216 18.446 695 HG22 ILE 92 2HG2 ILE 92 -23.403 50.560 17.616 696 HG23 ILE 92 3HG2 ILE 92 -23.140 50.316 19.343 697 HD11 ILE 92 3HD1 ILE 92 -23.205 46.613 18.440 698 HD12 ILE 92 1HD1 ILE 92 -23.524 46.113 16.779 699 HD13 ILE 92 2HD1 ILE 92 -24.460 47.422 17.499 700 H ARG 93 H ARG 93 -21.002 52.340 17.683 701 HA ARG 93 HA ARG 93 -19.997 52.544 20.504 702 HB2 ARG 93 2HB ARG 93 -18.750 54.559 19.701 703 HB3 ARG 93 1HB ARG 93 -18.233 53.080 18.894 704 HG2 ARG 93 2HG ARG 93 -19.155 53.693 16.871 705 HG3 ARG 93 1HG ARG 93 -20.446 54.631 17.623 706 HD2 ARG 93 2HD ARG 93 -19.117 56.527 17.858 707 HD3 ARG 93 1HD ARG 93 -17.612 55.586 17.922 708 HE ARG 93 HE ARG 93 -17.825 55.206 15.496 709 HH11 ARG 93 1HH1 ARG 93 -20.885 56.072 15.962 710 HH12 ARG 93 2HH1 ARG 93 -20.915 57.450 14.912 711 HH21 ARG 93 1HH2 ARG 93 -17.467 57.581 14.554 712 HH22 ARG 93 2HH2 ARG 93 -18.980 58.304 14.115 713 HA PRO 94 HA PRO 94 -23.463 55.184 21.168 714 HB2 PRO 94 2HB PRO 94 -22.495 56.946 23.025 715 HB3 PRO 94 1HB PRO 94 -22.888 55.257 23.407 716 HG2 PRO 94 2HG PRO 94 -20.241 56.512 22.878 717 HG3 PRO 94 1HG PRO 94 -20.686 55.267 24.056 718 HD2 PRO 94 2HD PRO 94 -19.428 54.723 21.702 719 HD3 PRO 94 1HD PRO 94 -20.495 53.571 22.534 720 HA PRO 95 HA PRO 95 -22.995 58.814 18.694 721 HB2 PRO 95 2HB PRO 95 -24.844 60.531 19.743 722 HB3 PRO 95 1HB PRO 95 -25.290 59.102 18.791 723 HG2 PRO 95 2HG PRO 95 -25.318 59.496 21.738 724 HG3 PRO 95 1HG PRO 95 -26.455 58.619 20.705 725 HD2 PRO 95 2HD PRO 95 -24.531 57.408 22.221 726 HD3 PRO 95 1HD PRO 95 -25.208 56.708 20.734 727 HA PRO 96 HA PRO 96 -20.379 61.720 20.751 728 HB2 PRO 96 2HB PRO 96 -20.823 64.051 19.391 729 HB3 PRO 96 1HB PRO 96 -19.918 62.691 18.697 730 HG2 PRO 96 2HG PRO 96 -22.747 63.504 18.251 731 HG3 PRO 96 1HG PRO 96 -21.554 62.893 17.095 732 HD2 PRO 96 2HD PRO 96 -23.531 61.353 18.156 733 HD3 PRO 96 1HD PRO 96 -21.962 60.703 17.629 734 H TYR 97 H TYR 97 -20.503 63.155 22.521 735 HA TYR 97 HA TYR 97 -23.187 64.379 23.080 736 HB2 TYR 97 2HB TYR 97 -22.687 62.311 24.386 737 HB3 TYR 97 1HB TYR 97 -21.240 63.093 25.023 738 HD1 TYR 97 1HD TYR 97 -24.950 63.473 24.772 739 HD2 TYR 97 2HD TYR 97 -21.370 64.513 26.907 740 HE1 TYR 97 1HE TYR 97 -26.316 64.565 26.529 741 HE2 TYR 97 2HE TYR 97 -22.737 65.606 28.665 742 HH TYR 97 HH TYR 97 -25.043 66.656 28.812 743 H SER 98 H SER 98 -19.701 64.491 23.845 744 HA SER 98 HA SER 98 -19.411 67.307 23.445 745 HB2 SER 98 2HB SER 98 -20.595 67.932 25.318 746 HB3 SER 98 1HB SER 98 -20.405 66.360 26.084 747 HG SER 98 HG SER 98 -19.248 68.266 27.009 748 HA PRO 99 HA PRO 99 -15.516 65.690 25.681 749 HB2 PRO 99 2HB PRO 99 -15.567 63.212 26.844 750 HB3 PRO 99 1HB PRO 99 -16.011 64.696 27.712 751 HG2 PRO 99 2HG PRO 99 -17.759 62.622 26.489 752 HG3 PRO 99 1HG PRO 99 -17.961 63.523 28.000 753 HD2 PRO 99 2HD PRO 99 -19.296 64.113 25.705 754 HD3 PRO 99 1HD PRO 99 -18.917 65.313 26.956
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