NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
23407 | 2jve | 15477 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 18 H MET 18 -13.545 -0.886 -10.213 2 HA MET 18 HA MET 18 -14.748 1.775 -9.788 3 HB2 MET 18 HB2 MET 18 -16.265 0.239 -10.981 4 HB3 MET 18 HB3 MET 18 -16.045 -0.958 -9.711 5 HG2 MET 18 HG2 MET 18 -17.098 0.494 -8.100 6 HG3 MET 18 HG3 MET 18 -17.220 1.783 -9.297 7 HE1 MET 18 HE1 MET 18 -18.876 1.757 -11.353 8 HE2 MET 18 HE2 MET 18 -19.838 0.351 -11.812 9 HE3 MET 18 HE3 MET 18 -18.077 0.288 -11.915 10 H ALA 19 H ALA 19 -13.082 2.027 -8.193 11 HA ALA 19 HA ALA 19 -12.674 2.391 -5.993 12 HB1 ALA 19 HB1 ALA 19 -15.100 2.475 -5.681 13 HB2 ALA 19 HB2 ALA 19 -14.271 1.778 -4.289 14 HB3 ALA 19 HB3 ALA 19 -15.120 0.730 -5.426 15 H LEU 20 H LEU 20 -10.887 1.480 -5.249 16 HA LEU 20 HA LEU 20 -10.695 -1.458 -5.187 17 HB2 LEU 20 HB2 LEU 20 -8.726 0.661 -5.682 18 HB3 LEU 20 HB3 LEU 20 -8.204 -0.513 -4.492 19 HG LEU 20 HG LEU 20 -7.408 -1.088 -6.729 20 HD11 LEU 20 HD11 LEU 20 -8.169 -3.401 -6.790 21 HD12 LEU 20 HD12 LEU 20 -9.512 -2.996 -5.720 22 HD13 LEU 20 HD13 LEU 20 -7.852 -2.881 -5.134 23 HD21 LEU 20 HD21 LEU 20 -10.332 -1.265 -7.434 24 HD22 LEU 20 HD22 LEU 20 -9.001 -1.808 -8.455 25 HD23 LEU 20 HD23 LEU 20 -9.168 -0.097 -8.061 26 H LYS 21 H LYS 21 -10.753 -2.401 -3.188 27 HA LYS 21 HA LYS 21 -10.577 -0.603 -0.919 28 HB2 LYS 21 HB2 LYS 21 -11.661 -3.413 -1.069 29 HB3 LYS 21 HB3 LYS 21 -11.901 -2.255 0.235 30 HG2 LYS 21 HG2 LYS 21 -13.190 -0.827 -1.201 31 HG3 LYS 21 HG3 LYS 21 -12.852 -1.859 -2.590 32 HD2 LYS 21 HD2 LYS 21 -14.403 -2.635 -0.132 33 HD3 LYS 21 HD3 LYS 21 -15.079 -2.265 -1.718 34 HE2 LYS 21 HE2 LYS 21 -13.268 -4.563 -1.009 35 HE3 LYS 21 HE3 LYS 21 -14.979 -4.656 -1.416 36 HZ1 LYS 21 HZ1 LYS 21 -12.815 -3.767 -3.249 37 HZ2 LYS 21 HZ2 LYS 21 -14.456 -3.891 -3.648 38 HZ3 LYS 21 HZ3 LYS 21 -13.560 -5.284 -3.282 39 H CYS 22 H CYS 22 -8.543 -0.472 -0.214 40 HA CYS 22 HA CYS 22 -7.288 -2.979 0.619 41 HB2 CYS 22 HB2 CYS 22 -5.989 -0.675 -0.804 42 HB3 CYS 22 HB3 CYS 22 -5.050 -1.694 0.286 43 H PHE 23 H PHE 23 -5.512 -2.407 2.341 44 HA PHE 23 HA PHE 23 -7.063 -1.219 4.480 45 HB2 PHE 23 HB2 PHE 23 -4.291 -2.431 4.476 46 HB3 PHE 23 HB3 PHE 23 -5.159 -1.897 5.909 47 HD1 PHE 23 HD1 PHE 23 -7.495 -3.008 6.278 48 HD2 PHE 23 HD2 PHE 23 -4.405 -4.636 3.839 49 HE1 PHE 23 HE1 PHE 23 -8.493 -5.244 6.515 50 HE2 PHE 23 HE2 PHE 23 -5.403 -6.874 4.069 51 HZ PHE 23 HZ PHE 23 -7.447 -7.180 5.408 52 H THR 24 H THR 24 -6.766 0.750 5.323 53 HA THR 24 HA THR 24 -4.281 2.157 4.647 54 HB THR 24 HB THR 24 -6.969 3.483 5.067 55 HG1 THR 24 HG1 THR 24 -7.048 3.045 2.975 56 HG21 THR 24 HG21 THR 24 -4.255 4.687 4.514 57 HG22 THR 24 HG22 THR 24 -5.160 4.808 6.023 58 HG23 THR 24 HG23 THR 24 -5.779 5.575 4.559 59 H ARG 25 H ARG 25 -3.199 2.933 6.428 60 HA ARG 25 HA ARG 25 -4.300 1.943 8.977 61 HB2 ARG 25 HB2 ARG 25 -2.230 0.813 8.082 62 HB3 ARG 25 HB3 ARG 25 -1.391 2.343 8.257 63 HG2 ARG 25 HG2 ARG 25 -1.727 2.282 10.660 64 HG3 ARG 25 HG3 ARG 25 -2.645 0.778 10.504 65 HD2 ARG 25 HD2 ARG 25 -0.592 -0.182 9.368 66 HD3 ARG 25 HD3 ARG 25 0.270 1.247 9.928 67 HE ARG 25 HE ARG 25 -0.405 0.474 12.238 68 HH11 ARG 25 HH11 ARG 25 -0.103 -1.727 9.558 69 HH12 ARG 25 HH12 ARG 25 0.413 -3.075 10.522 70 HH21 ARG 25 HH21 ARG 25 0.254 -1.299 13.569 71 HH22 ARG 25 HH22 ARG 25 0.586 -2.831 12.811 72 H ASN 26 H ASN 26 -4.980 3.591 10.228 73 HA ASN 26 HA ASN 26 -3.616 6.192 9.943 74 HB2 ASN 26 HB2 ASN 26 -6.114 6.175 9.486 75 HB3 ASN 26 HB3 ASN 26 -6.341 5.747 11.179 76 HD21 ASN 26 HD21 ASN 26 -5.417 8.227 8.946 77 HD22 ASN 26 HD22 ASN 26 -5.437 9.536 10.072 78 H GLY 27 H GLY 27 -1.948 5.306 11.258 79 HA2 GLY 27 HA2 GLY 27 -1.095 5.759 13.528 80 HA3 GLY 27 HA3 GLY 27 -2.677 5.252 14.113 81 H ASP 28 H ASP 28 -3.227 3.048 14.099 82 HA ASP 28 HA ASP 28 -1.166 1.166 13.222 83 HB2 ASP 28 HB2 ASP 28 -0.807 1.821 15.663 84 HB3 ASP 28 HB3 ASP 28 -2.313 0.977 16.007 85 H ASP 29 H ASP 29 -4.199 1.977 12.848 86 HA ASP 29 HA ASP 29 -5.591 -0.458 13.664 87 HB2 ASP 29 HB2 ASP 29 -7.595 0.620 13.008 88 HB3 ASP 29 HB3 ASP 29 -6.640 1.884 13.782 89 H ARG 30 H ARG 30 -7.064 -1.342 11.839 90 HA ARG 30 HA ARG 30 -5.696 -1.271 9.294 91 HB2 ARG 30 HB2 ARG 30 -6.624 -3.914 10.431 92 HB3 ARG 30 HB3 ARG 30 -5.763 -3.641 8.919 93 HG2 ARG 30 HG2 ARG 30 -3.798 -2.928 10.133 94 HG3 ARG 30 HG3 ARG 30 -4.663 -3.106 11.656 95 HD2 ARG 30 HD2 ARG 30 -3.378 -5.059 11.478 96 HD3 ARG 30 HD3 ARG 30 -4.994 -5.551 10.968 97 HE ARG 30 HE ARG 30 -4.227 -5.683 8.744 98 HH11 ARG 30 HH11 ARG 30 -1.729 -4.817 11.012 99 HH12 ARG 30 HH12 ARG 30 -0.413 -5.113 9.906 100 HH21 ARG 30 HH21 ARG 30 -2.480 -6.113 7.269 101 HH22 ARG 30 HH22 ARG 30 -0.841 -5.818 7.782 102 H THR 31 H THR 31 -7.275 -0.236 8.292 103 HA THR 31 HA THR 31 -9.955 -1.420 8.380 104 HB THR 31 HB THR 31 -9.120 1.465 8.007 105 HG1 THR 31 HG1 THR 31 -9.026 1.230 10.139 106 HG21 THR 31 HG21 THR 31 -11.157 1.040 6.754 107 HG22 THR 31 HG22 THR 31 -11.540 1.960 8.209 108 HG23 THR 31 HG23 THR 31 -11.876 0.231 8.146 109 H VAL 32 H VAL 32 -11.081 -1.789 6.550 110 HA VAL 32 HA VAL 32 -9.641 -1.836 4.030 111 HB VAL 32 HB VAL 32 -12.520 -2.559 4.631 112 HG11 VAL 32 HG11 VAL 32 -12.211 -2.000 2.300 113 HG12 VAL 32 HG12 VAL 32 -12.431 -3.742 2.473 114 HG13 VAL 32 HG13 VAL 32 -10.821 -3.080 2.197 115 HG21 VAL 32 HG21 VAL 32 -10.096 -4.327 4.362 116 HG22 VAL 32 HG22 VAL 32 -11.760 -4.890 4.494 117 HG23 VAL 32 HG23 VAL 32 -11.015 -4.021 5.836 118 H THR 33 H THR 33 -9.512 0.031 2.926 119 HA THR 33 HA THR 33 -11.795 1.876 3.109 120 HB THR 33 HB THR 33 -10.229 3.672 2.369 121 HG1 THR 33 HG1 THR 33 -8.542 1.576 2.195 122 HG21 THR 33 HG21 THR 33 -9.565 2.352 5.007 123 HG22 THR 33 HG22 THR 33 -10.894 3.475 4.715 124 HG23 THR 33 HG23 THR 33 -9.226 4.030 4.581 125 H THR 34 H THR 34 -12.376 2.928 1.146 126 HA THR 34 HA THR 34 -11.702 1.306 -1.202 127 HB THR 34 HB THR 34 -13.936 0.813 -0.950 128 HG1 THR 34 HG1 THR 34 -13.979 3.241 -2.440 129 HG21 THR 34 HG21 THR 34 -14.271 2.279 1.002 130 HG22 THR 34 HG22 THR 34 -15.643 2.296 -0.109 131 HG23 THR 34 HG23 THR 34 -14.504 3.646 -0.089 132 H CYS 35 H CYS 35 -10.494 2.387 -2.572 133 HA CYS 35 HA CYS 35 -10.445 5.320 -2.447 134 HB2 CYS 35 HB2 CYS 35 -8.307 4.945 -3.848 135 HB3 CYS 35 HB3 CYS 35 -8.268 4.516 -2.150 136 H ALA 36 H ALA 36 -9.898 6.323 -4.689 137 HA ALA 36 HA ALA 36 -12.211 5.706 -6.325 138 HB1 ALA 36 HB1 ALA 36 -10.131 7.875 -6.599 139 HB2 ALA 36 HB2 ALA 36 -11.697 8.033 -5.798 140 HB3 ALA 36 HB3 ALA 36 -11.621 7.744 -7.536 141 H GLU 37 H GLU 37 -11.859 5.800 -8.762 142 HA GLU 37 HA GLU 37 -10.424 3.678 -9.655 143 HB2 GLU 37 HB2 GLU 37 -11.242 6.126 -11.224 144 HB3 GLU 37 HB3 GLU 37 -10.772 4.589 -11.929 145 HG2 GLU 37 HG2 GLU 37 -13.137 5.041 -10.126 146 HG3 GLU 37 HG3 GLU 37 -13.192 4.856 -11.879 147 H GLU 38 H GLU 38 -9.316 6.924 -9.210 148 HA GLU 38 HA GLU 38 -6.985 6.949 -10.729 149 HB2 GLU 38 HB2 GLU 38 -6.169 8.477 -8.791 150 HB3 GLU 38 HB3 GLU 38 -7.510 9.006 -9.803 151 HG2 GLU 38 HG2 GLU 38 -9.092 8.411 -8.180 152 HG3 GLU 38 HG3 GLU 38 -7.901 7.532 -7.235 153 H GLN 39 H GLN 39 -7.550 5.776 -7.435 154 HA GLN 39 HA GLN 39 -4.697 5.168 -7.145 155 HB2 GLN 39 HB2 GLN 39 -6.924 5.107 -5.105 156 HB3 GLN 39 HB3 GLN 39 -5.209 4.884 -4.778 157 HG2 GLN 39 HG2 GLN 39 -4.879 7.187 -5.792 158 HG3 GLN 39 HG3 GLN 39 -6.631 7.356 -5.682 159 HE21 GLN 39 HE21 GLN 39 -6.627 8.948 -4.227 160 HE22 GLN 39 HE22 GLN 39 -6.116 8.754 -2.575 161 H THR 40 H THR 40 -5.839 3.539 -8.964 162 HA THR 40 HA THR 40 -7.246 1.350 -7.921 163 HB THR 40 HB THR 40 -6.174 0.405 -10.269 164 HG1 THR 40 HG1 THR 40 -6.707 3.078 -10.896 165 HG21 THR 40 HG21 THR 40 -8.550 0.477 -9.643 166 HG22 THR 40 HG22 THR 40 -8.287 1.093 -11.274 167 HG23 THR 40 HG23 THR 40 -8.572 2.216 -9.943 168 H ARG 41 H ARG 41 -4.217 1.959 -7.096 169 HA ARG 41 HA ARG 41 -3.487 -0.869 -7.087 170 HB2 ARG 41 HB2 ARG 41 -1.539 1.437 -7.261 171 HB3 ARG 41 HB3 ARG 41 -1.080 -0.186 -6.784 172 HG2 ARG 41 HG2 ARG 41 -2.164 0.667 -9.447 173 HG3 ARG 41 HG3 ARG 41 -0.513 0.184 -9.080 174 HD2 ARG 41 HD2 ARG 41 -1.311 -1.762 -9.975 175 HD3 ARG 41 HD3 ARG 41 -1.697 -2.027 -8.277 176 HE ARG 41 HE ARG 41 -3.987 -1.291 -8.812 177 HH11 ARG 41 HH11 ARG 41 -1.911 -2.374 -11.420 178 HH12 ARG 41 HH12 ARG 41 -3.223 -2.806 -12.462 179 HH21 ARG 41 HH21 ARG 41 -5.721 -1.857 -10.176 180 HH22 ARG 41 HH22 ARG 41 -5.405 -2.515 -11.750 181 H CYS 42 H CYS 42 -1.537 -0.735 -5.160 182 HA CYS 42 HA CYS 42 -2.799 0.451 -2.899 183 HB2 CYS 42 HB2 CYS 42 -2.535 -2.571 -2.916 184 HB3 CYS 42 HB3 CYS 42 -3.057 -1.575 -1.562 185 H LEU 43 H LEU 43 -1.318 0.898 -1.346 186 HA LEU 43 HA LEU 43 1.461 0.310 -2.099 187 HB2 LEU 43 HB2 LEU 43 0.335 2.685 -1.599 188 HB3 LEU 43 HB3 LEU 43 0.773 2.254 0.040 189 HG LEU 43 HG LEU 43 2.590 2.710 -2.300 190 HD11 LEU 43 HD11 LEU 43 2.428 3.995 0.401 191 HD12 LEU 43 HD12 LEU 43 1.873 4.691 -1.121 192 HD13 LEU 43 HD13 LEU 43 3.591 4.388 -0.864 193 HD21 LEU 43 HD21 LEU 43 3.421 0.743 -1.179 194 HD22 LEU 43 HD22 LEU 43 3.340 1.576 0.373 195 HD23 LEU 43 HD23 LEU 43 4.473 2.124 -0.862 196 H PHE 44 H PHE 44 2.492 -1.190 -0.950 197 HA PHE 44 HA PHE 44 2.042 -1.254 1.950 198 HB2 PHE 44 HB2 PHE 44 0.896 -3.196 1.089 199 HB3 PHE 44 HB3 PHE 44 2.282 -3.633 0.099 200 HD1 PHE 44 HD1 PHE 44 1.227 -3.180 3.641 201 HD2 PHE 44 HD2 PHE 44 3.896 -5.042 0.908 202 HE1 PHE 44 HE1 PHE 44 2.163 -4.533 5.477 203 HE2 PHE 44 HE2 PHE 44 4.832 -6.384 2.731 204 HZ PHE 44 HZ PHE 44 3.983 -6.140 5.006 205 H VAL 45 H VAL 45 3.880 -0.931 3.026 206 HA VAL 45 HA VAL 45 6.422 -1.506 1.657 207 HB VAL 45 HB VAL 45 5.994 0.784 3.594 208 HG11 VAL 45 HG11 VAL 45 8.239 -0.111 3.680 209 HG12 VAL 45 HG12 VAL 45 8.249 1.469 2.897 210 HG13 VAL 45 HG13 VAL 45 8.380 0.002 1.927 211 HG21 VAL 45 HG21 VAL 45 6.263 2.284 1.688 212 HG22 VAL 45 HG22 VAL 45 4.863 1.236 1.459 213 HG23 VAL 45 HG23 VAL 45 6.364 0.904 0.598 214 H GLN 46 H GLN 46 7.959 -2.564 2.925 215 HA GLN 46 HA GLN 46 6.938 -3.882 5.317 216 HB2 GLN 46 HB2 GLN 46 9.774 -4.030 4.348 217 HB3 GLN 46 HB3 GLN 46 8.913 -5.174 5.349 218 HG2 GLN 46 HG2 GLN 46 8.628 -4.745 2.386 219 HG3 GLN 46 HG3 GLN 46 9.316 -6.111 3.239 220 HE21 GLN 46 HE21 GLN 46 7.245 -6.229 5.248 221 HE22 GLN 46 HE22 GLN 46 5.859 -6.894 4.465 222 H LEU 47 H LEU 47 7.740 -3.551 7.352 223 HA LEU 47 HA LEU 47 9.790 -1.539 7.734 224 HB2 LEU 47 HB2 LEU 47 7.050 -1.352 8.948 225 HB3 LEU 47 HB3 LEU 47 8.438 -0.773 9.841 226 HG LEU 47 HG LEU 47 7.429 1.101 8.795 227 HD11 LEU 47 HD11 LEU 47 9.857 0.298 7.209 228 HD12 LEU 47 HD12 LEU 47 9.855 1.107 8.777 229 HD13 LEU 47 HD13 LEU 47 9.215 1.934 7.355 230 HD21 LEU 47 HD21 LEU 47 7.141 1.246 6.345 231 HD22 LEU 47 HD22 LEU 47 6.104 0.040 7.107 232 HD23 LEU 47 HD23 LEU 47 7.547 -0.466 6.230 233 HA PRO 48 HA PRO 48 11.079 -4.658 10.626 234 HB2 PRO 48 HB2 PRO 48 12.553 -2.606 12.095 235 HB3 PRO 48 HB3 PRO 48 13.170 -3.960 11.147 236 HG2 PRO 48 HG2 PRO 48 13.422 -1.400 10.335 237 HG3 PRO 48 HG3 PRO 48 13.223 -2.743 9.194 238 HD2 PRO 48 HD2 PRO 48 11.185 -0.778 10.186 239 HD3 PRO 48 HD3 PRO 48 11.446 -1.396 8.539 240 H TYR 49 H TYR 49 8.680 -2.734 11.288 241 HA TYR 49 HA TYR 49 8.575 -3.315 14.088 242 HB2 TYR 49 HB2 TYR 49 7.817 -0.488 13.518 243 HB3 TYR 49 HB3 TYR 49 8.420 -1.207 15.005 244 HD1 TYR 49 HD1 TYR 49 10.897 -1.636 15.234 245 HD2 TYR 49 HD2 TYR 49 9.255 0.594 12.003 246 HE1 TYR 49 HE1 TYR 49 13.119 -0.691 14.763 247 HE2 TYR 49 HE2 TYR 49 11.470 1.545 11.524 248 HH TYR 49 HH TYR 49 13.597 1.963 12.732 249 H SER 50 H SER 50 7.002 -1.203 11.713 250 HA SER 50 HA SER 50 4.483 -2.666 12.122 251 HB2 SER 50 HB2 SER 50 4.796 0.237 11.313 252 HB3 SER 50 HB3 SER 50 3.305 -0.586 11.774 253 HG SER 50 HG SER 50 3.819 -0.394 13.825 254 H GLU 51 H GLU 51 3.198 -1.234 9.914 255 HA GLU 51 HA GLU 51 4.879 -1.761 7.580 256 HB2 GLU 51 HB2 GLU 51 3.244 -3.210 6.561 257 HB3 GLU 51 HB3 GLU 51 3.597 -3.848 8.162 258 HG2 GLU 51 HG2 GLU 51 1.501 -2.255 8.724 259 HG3 GLU 51 HG3 GLU 51 1.113 -2.723 7.071 260 H ILE 52 H ILE 52 4.088 -0.728 5.648 261 HA ILE 52 HA ILE 52 2.415 1.613 6.265 262 HB ILE 52 HB ILE 52 4.297 1.112 3.975 263 HG12 ILE 52 HG12 ILE 52 5.435 1.845 5.947 264 HG13 ILE 52 HG13 ILE 52 5.322 3.213 4.858 265 HG21 ILE 52 HG21 ILE 52 3.666 3.353 3.156 266 HG22 ILE 52 HG22 ILE 52 2.375 3.402 4.356 267 HG23 ILE 52 HG23 ILE 52 2.338 2.196 3.070 268 HD11 ILE 52 HD11 ILE 52 4.905 3.884 7.142 269 HD12 ILE 52 HD12 ILE 52 3.578 2.728 7.250 270 HD13 ILE 52 HD13 ILE 52 3.462 4.103 6.151 271 H GLN 53 H GLN 53 0.473 1.904 5.187 272 HA GLN 53 HA GLN 53 -0.318 -0.034 3.235 273 HB2 GLN 53 HB2 GLN 53 -1.911 0.181 5.800 274 HB3 GLN 53 HB3 GLN 53 -2.341 -0.780 4.393 275 HG2 GLN 53 HG2 GLN 53 -0.313 -2.142 4.749 276 HG3 GLN 53 HG3 GLN 53 0.026 -1.208 6.206 277 HE21 GLN 53 HE21 GLN 53 -1.964 -3.627 4.746 278 HE22 GLN 53 HE22 GLN 53 -2.751 -4.139 6.195 279 H GLU 54 H GLU 54 -1.344 1.135 1.720 280 HA GLU 54 HA GLU 54 -3.562 2.863 2.357 281 HB2 GLU 54 HB2 GLU 54 -2.410 4.824 1.172 282 HB3 GLU 54 HB3 GLU 54 -1.949 4.506 2.830 283 HG2 GLU 54 HG2 GLU 54 0.034 3.266 1.962 284 HG3 GLU 54 HG3 GLU 54 -0.385 3.836 0.340 285 H CYS 55 H CYS 55 -4.504 3.828 0.394 286 HA CYS 55 HA CYS 55 -4.211 2.110 -1.953 287 HB2 CYS 55 HB2 CYS 55 -6.193 4.150 -1.065 288 HB3 CYS 55 HB3 CYS 55 -5.900 4.056 -2.797 289 H LYS 56 H LYS 56 -3.572 2.999 -4.000 290 HA LYS 56 HA LYS 56 -2.451 5.615 -4.066 291 HB2 LYS 56 HB2 LYS 56 -0.756 3.988 -2.836 292 HB3 LYS 56 HB3 LYS 56 -0.372 3.506 -4.480 293 HG2 LYS 56 HG2 LYS 56 1.159 5.210 -3.694 294 HG3 LYS 56 HG3 LYS 56 0.187 5.815 -5.036 295 HD2 LYS 56 HD2 LYS 56 0.409 7.482 -3.251 296 HD3 LYS 56 HD3 LYS 56 -1.268 6.987 -3.472 297 HE2 LYS 56 HE2 LYS 56 -1.066 5.470 -1.562 298 HE3 LYS 56 HE3 LYS 56 0.602 5.977 -1.323 299 HZ1 LYS 56 HZ1 LYS 56 -0.258 8.263 -1.002 300 HZ2 LYS 56 HZ2 LYS 56 -0.759 7.164 0.186 301 HZ3 LYS 56 HZ3 LYS 56 -1.834 7.638 -1.040 302 H THR 57 H THR 57 -2.376 6.305 -6.114 303 HA THR 57 HA THR 57 -3.565 4.890 -8.228 304 HB THR 57 HB THR 57 -1.712 7.234 -8.283 305 HG1 THR 57 HG1 THR 57 -4.257 7.950 -8.480 306 HG21 THR 57 HG21 THR 57 -3.835 6.404 -10.234 307 HG22 THR 57 HG22 THR 57 -2.093 6.313 -10.512 308 HG23 THR 57 HG23 THR 57 -2.880 7.883 -10.331 309 H VAL 58 H VAL 58 -2.757 3.801 -9.948 310 HA VAL 58 HA VAL 58 -0.810 1.985 -9.592 311 HB VAL 58 HB VAL 58 -1.284 3.212 -12.329 312 HG11 VAL 58 HG11 VAL 58 -0.533 0.428 -11.462 313 HG12 VAL 58 HG12 VAL 58 0.504 1.597 -12.281 314 HG13 VAL 58 HG13 VAL 58 -0.890 0.915 -13.120 315 HG21 VAL 58 HG21 VAL 58 -3.159 1.681 -12.605 316 HG22 VAL 58 HG22 VAL 58 -3.450 2.796 -11.272 317 HG23 VAL 58 HG23 VAL 58 -2.973 1.133 -10.942 318 H GLN 59 H GLN 59 -0.215 4.751 -11.801 319 HA GLN 59 HA GLN 59 2.499 4.588 -11.945 320 HB2 GLN 59 HB2 GLN 59 1.404 6.110 -13.394 321 HB3 GLN 59 HB3 GLN 59 0.699 7.002 -12.051 322 HG2 GLN 59 HG2 GLN 59 3.078 7.599 -11.396 323 HG3 GLN 59 HG3 GLN 59 3.551 6.987 -12.981 324 HE21 GLN 59 HE21 GLN 59 3.647 9.680 -11.775 325 HE22 GLN 59 HE22 GLN 59 2.816 10.705 -12.897 326 H GLN 60 H GLN 60 0.724 6.709 -9.736 327 HA GLN 60 HA GLN 60 2.789 7.823 -8.380 328 HB2 GLN 60 HB2 GLN 60 0.449 8.488 -8.059 329 HB3 GLN 60 HB3 GLN 60 0.098 6.956 -7.284 330 HG2 GLN 60 HG2 GLN 60 0.274 8.344 -5.485 331 HG3 GLN 60 HG3 GLN 60 1.905 7.691 -5.580 332 HE21 GLN 60 HE21 GLN 60 2.608 9.382 -7.900 333 HE22 GLN 60 HE22 GLN 60 2.835 10.962 -7.242 334 H CYS 61 H CYS 61 1.220 4.733 -7.623 335 HA CYS 61 HA CYS 61 2.720 4.295 -5.225 336 HB2 CYS 61 HB2 CYS 61 0.471 3.218 -6.040 337 HB3 CYS 61 HB3 CYS 61 1.518 2.078 -6.877 338 H ALA 62 H ALA 62 3.297 3.729 -8.626 339 HA ALA 62 HA ALA 62 5.406 1.785 -8.268 340 HB1 ALA 62 HB1 ALA 62 4.154 1.931 -10.382 341 HB2 ALA 62 HB2 ALA 62 5.885 2.174 -10.615 342 HB3 ALA 62 HB3 ALA 62 4.793 3.559 -10.627 343 H GLU 63 H GLU 63 5.146 5.268 -8.837 344 HA GLU 63 HA GLU 63 7.915 5.713 -8.849 345 HB2 GLU 63 HB2 GLU 63 7.390 7.974 -9.130 346 HB3 GLU 63 HB3 GLU 63 6.047 7.111 -9.864 347 HG2 GLU 63 HG2 GLU 63 4.771 7.430 -7.789 348 HG3 GLU 63 HG3 GLU 63 6.093 8.431 -7.206 349 H VAL 64 H VAL 64 5.525 6.310 -6.224 350 HA VAL 64 HA VAL 64 7.337 6.845 -4.316 351 HB VAL 64 HB VAL 64 5.594 6.394 -2.791 352 HG11 VAL 64 HG11 VAL 64 3.713 7.624 -3.713 353 HG12 VAL 64 HG12 VAL 64 4.428 7.434 -5.315 354 HG13 VAL 64 HG13 VAL 64 5.268 8.374 -4.079 355 HG21 VAL 64 HG21 VAL 64 4.407 4.740 -4.899 356 HG22 VAL 64 HG22 VAL 64 3.498 5.284 -3.485 357 HG23 VAL 64 HG23 VAL 64 4.921 4.254 -3.287 358 H LEU 65 H LEU 65 6.265 3.685 -5.482 359 HA LEU 65 HA LEU 65 7.435 2.030 -3.694 360 HB2 LEU 65 HB2 LEU 65 6.338 1.607 -6.084 361 HB3 LEU 65 HB3 LEU 65 8.013 1.491 -6.575 362 HG LEU 65 HG LEU 65 7.221 -0.712 -6.180 363 HD11 LEU 65 HD11 LEU 65 8.899 0.130 -3.869 364 HD12 LEU 65 HD12 LEU 65 9.459 -0.404 -5.454 365 HD13 LEU 65 HD13 LEU 65 8.626 -1.533 -4.384 366 HD21 LEU 65 HD21 LEU 65 6.229 -1.433 -4.087 367 HD22 LEU 65 HD22 LEU 65 5.278 -0.150 -4.834 368 HD23 LEU 65 HD23 LEU 65 6.334 0.215 -3.471 369 H GLU 66 H GLU 66 9.061 3.573 -6.452 370 HA GLU 66 HA GLU 66 11.551 2.551 -5.755 371 HB2 GLU 66 HB2 GLU 66 10.951 3.288 -8.037 372 HB3 GLU 66 HB3 GLU 66 10.982 4.956 -7.484 373 HG2 GLU 66 HG2 GLU 66 13.350 4.784 -7.002 374 HG3 GLU 66 HG3 GLU 66 13.340 3.083 -7.467 375 H GLU 67 H GLU 67 10.017 5.528 -4.749 376 HA GLU 67 HA GLU 67 12.394 6.842 -3.941 377 HB2 GLU 67 HB2 GLU 67 10.922 8.298 -2.676 378 HB3 GLU 67 HB3 GLU 67 10.247 7.999 -4.277 379 HG2 GLU 67 HG2 GLU 67 8.809 6.359 -3.435 380 HG3 GLU 67 HG3 GLU 67 9.508 6.505 -1.834 381 H VAL 68 H VAL 68 10.001 4.866 -2.183 382 HA VAL 68 HA VAL 68 11.523 4.792 0.173 383 HB VAL 68 HB VAL 68 9.950 3.074 0.962 384 HG11 VAL 68 HG11 VAL 68 7.882 4.393 0.729 385 HG12 VAL 68 HG12 VAL 68 8.652 5.339 -0.546 386 HG13 VAL 68 HG13 VAL 68 9.286 5.394 1.099 387 HG21 VAL 68 HG21 VAL 68 8.836 3.106 -1.854 388 HG22 VAL 68 HG22 VAL 68 8.128 2.269 -0.473 389 HG23 VAL 68 HG23 VAL 68 9.698 1.767 -1.096 390 H THR 69 H THR 69 11.293 2.538 -2.514 391 HA THR 69 HA THR 69 12.789 0.522 -1.248 392 HB THR 69 HB THR 69 12.084 0.929 -4.151 393 HG1 THR 69 HG1 THR 69 10.248 0.629 -3.020 394 HG21 THR 69 HG21 THR 69 12.429 -1.477 -4.425 395 HG22 THR 69 HG22 THR 69 13.054 -1.579 -2.776 396 HG23 THR 69 HG23 THR 69 13.938 -0.662 -3.998 397 H ALA 70 H ALA 70 13.745 3.315 -3.089 398 HA ALA 70 HA ALA 70 16.426 2.515 -3.384 399 HB1 ALA 70 HB1 ALA 70 15.418 4.320 -4.701 400 HB2 ALA 70 HB2 ALA 70 16.883 4.859 -3.879 401 HB3 ALA 70 HB3 ALA 70 15.300 5.312 -3.248 402 H ILE 71 H ILE 71 14.638 3.650 -0.699 403 HA ILE 71 HA ILE 71 16.905 4.571 0.834 404 HB ILE 71 HB ILE 71 14.170 3.841 1.896 405 HG12 ILE 71 HG12 ILE 71 15.108 6.519 0.847 406 HG13 ILE 71 HG13 ILE 71 13.959 5.459 0.041 407 HG21 ILE 71 HG21 ILE 71 16.291 5.723 2.927 408 HG22 ILE 71 HG22 ILE 71 15.914 4.130 3.579 409 HG23 ILE 71 HG23 ILE 71 14.721 5.425 3.675 410 HD11 ILE 71 HD11 ILE 71 12.813 7.258 1.173 411 HD12 ILE 71 HD12 ILE 71 13.570 6.812 2.700 412 HD13 ILE 71 HD13 ILE 71 12.423 5.716 1.932 413 H GLY 72 H GLY 72 15.428 1.572 0.123 414 HA2 GLY 72 HA2 GLY 72 16.528 -0.421 0.792 415 HA3 GLY 72 HA3 GLY 72 16.861 0.323 2.351 416 H TYR 73 H TYR 73 13.740 1.069 1.549 417 HA TYR 73 HA TYR 73 12.727 -1.046 3.273 418 HB2 TYR 73 HB2 TYR 73 11.531 1.566 2.341 419 HB3 TYR 73 HB3 TYR 73 10.680 0.398 3.335 420 HD1 TYR 73 HD1 TYR 73 11.955 -0.310 5.543 421 HD2 TYR 73 HD2 TYR 73 12.661 3.289 3.386 422 HE1 TYR 73 HE1 TYR 73 12.922 0.703 7.563 423 HE2 TYR 73 HE2 TYR 73 13.634 4.310 5.401 424 HH TYR 73 HH TYR 73 14.522 2.538 8.115 425 HA PRO 74 HA PRO 74 11.287 -3.183 -0.449 426 HB2 PRO 74 HB2 PRO 74 10.011 -4.751 1.740 427 HB3 PRO 74 HB3 PRO 74 10.929 -5.319 0.353 428 HG2 PRO 74 HG2 PRO 74 12.051 -5.336 2.728 429 HG3 PRO 74 HG3 PRO 74 12.978 -4.766 1.324 430 HD2 PRO 74 HD2 PRO 74 11.605 -3.166 3.457 431 HD3 PRO 74 HD3 PRO 74 13.206 -2.941 2.732 432 H ALA 75 H ALA 75 9.500 -2.511 -1.543 433 HA ALA 75 HA ALA 75 6.953 -2.500 -0.069 434 HB1 ALA 75 HB1 ALA 75 7.934 -0.447 -2.045 435 HB2 ALA 75 HB2 ALA 75 7.805 -0.235 -0.299 436 HB3 ALA 75 HB3 ALA 75 6.350 -0.456 -1.271 437 H LYS 76 H LYS 76 5.036 -2.502 -1.473 438 HA LYS 76 HA LYS 76 5.422 -3.550 -4.146 439 HB2 LYS 76 HB2 LYS 76 3.686 -5.339 -3.759 440 HB3 LYS 76 HB3 LYS 76 5.256 -5.647 -3.065 441 HG2 LYS 76 HG2 LYS 76 4.391 -4.891 -0.869 442 HG3 LYS 76 HG3 LYS 76 2.806 -4.724 -1.610 443 HD2 LYS 76 HD2 LYS 76 2.928 -6.831 -0.474 444 HD3 LYS 76 HD3 LYS 76 2.844 -7.095 -2.217 445 HE2 LYS 76 HE2 LYS 76 4.476 -8.557 -1.340 446 HE3 LYS 76 HE3 LYS 76 5.327 -7.302 -2.226 447 HZ1 LYS 76 HZ1 LYS 76 5.026 -7.524 0.725 448 HZ2 LYS 76 HZ2 LYS 76 5.708 -6.188 -0.060 449 HZ3 LYS 76 HZ3 LYS 76 6.453 -7.698 -0.170 450 H CYS 77 H CYS 77 3.824 -2.972 -5.514 451 HA CYS 77 HA CYS 77 1.335 -1.919 -4.359 452 HB2 CYS 77 HB2 CYS 77 2.818 -0.998 -6.835 453 HB3 CYS 77 HB3 CYS 77 1.260 -0.379 -6.295 454 H CYS 78 H CYS 78 0.563 -4.141 -4.588 455 HA CYS 78 HA CYS 78 0.110 -4.991 -7.298 456 HB2 CYS 78 HB2 CYS 78 -0.712 -7.072 -6.168 457 HB3 CYS 78 HB3 CYS 78 0.931 -6.610 -5.734 458 H CYS 79 H CYS 79 -2.156 -6.324 -7.482 459 HA CYS 79 HA CYS 79 -4.180 -4.264 -7.019 460 HB2 CYS 79 HB2 CYS 79 -5.168 -4.886 -9.250 461 HB3 CYS 79 HB3 CYS 79 -3.643 -4.013 -9.325 462 HG CYS 79 HG CYS 79 -3.784 -7.416 -9.567 463 H GLU 80 H GLU 80 -5.320 -5.185 -5.493 464 HA GLU 80 HA GLU 80 -7.241 -7.172 -6.027 465 HB2 GLU 80 HB2 GLU 80 -5.407 -8.776 -5.821 466 HB3 GLU 80 HB3 GLU 80 -4.855 -8.013 -4.340 467 HG2 GLU 80 HG2 GLU 80 -7.145 -8.642 -3.384 468 HG3 GLU 80 HG3 GLU 80 -7.286 -9.704 -4.783 469 H ASP 81 H ASP 81 -8.545 -7.496 -3.929 470 HA ASP 81 HA ASP 81 -8.557 -4.975 -2.479 471 HB2 ASP 81 HB2 ASP 81 -10.211 -7.483 -2.116 472 HB3 ASP 81 HB3 ASP 81 -10.260 -6.123 -1.001 473 H LEU 82 H LEU 82 -7.785 -4.737 -0.477 474 HA LEU 82 HA LEU 82 -6.485 -5.082 1.351 475 HB2 LEU 82 HB2 LEU 82 -7.212 -8.002 1.078 476 HB3 LEU 82 HB3 LEU 82 -6.782 -7.143 2.540 477 HG LEU 82 HG LEU 82 -9.008 -7.249 2.868 478 HD11 LEU 82 HD11 LEU 82 -10.216 -5.265 2.214 479 HD12 LEU 82 HD12 LEU 82 -8.962 -4.903 1.027 480 HD13 LEU 82 HD13 LEU 82 -8.577 -4.891 2.748 481 HD21 LEU 82 HD21 LEU 82 -9.623 -8.658 1.132 482 HD22 LEU 82 HD22 LEU 82 -9.363 -7.402 -0.075 483 HD23 LEU 82 HD23 LEU 82 -10.716 -7.276 1.050 484 H CYS 83 H CYS 83 -5.480 -5.831 -1.526 485 HA CYS 83 HA CYS 83 -3.616 -7.832 -1.350 486 HB2 CYS 83 HB2 CYS 83 -4.429 -6.554 -3.424 487 HB3 CYS 83 HB3 CYS 83 -3.150 -5.402 -3.069 488 H ASN 84 H ASN 84 -3.384 -4.770 0.118 489 HA ASN 84 HA ASN 84 -0.494 -4.618 -0.059 490 HB2 ASN 84 HB2 ASN 84 -0.718 -2.617 1.398 491 HB3 ASN 84 HB3 ASN 84 -1.582 -2.489 -0.123 492 HD21 ASN 84 HD21 ASN 84 -1.912 -1.006 2.257 493 HD22 ASN 84 HD22 ASN 84 -3.546 -1.222 2.783 494 H ARG 85 H ARG 85 -0.229 -6.691 0.796 495 HA ARG 85 HA ARG 85 0.215 -6.781 3.672 496 HB2 ARG 85 HB2 ARG 85 -1.115 -8.900 3.838 497 HB3 ARG 85 HB3 ARG 85 -2.112 -7.485 3.513 498 HG2 ARG 85 HG2 ARG 85 -2.168 -8.075 1.135 499 HG3 ARG 85 HG3 ARG 85 -1.186 -9.500 1.470 500 HD2 ARG 85 HD2 ARG 85 -2.925 -10.486 2.763 501 HD3 ARG 85 HD3 ARG 85 -3.868 -8.995 2.740 502 HE ARG 85 HE ARG 85 -3.741 -9.501 0.146 503 HH11 ARG 85 HH11 ARG 85 -4.369 -11.709 2.792 504 HH12 ARG 85 HH12 ARG 85 -5.374 -12.753 1.839 505 HH21 ARG 85 HH21 ARG 85 -5.059 -10.855 -1.119 506 HH22 ARG 85 HH22 ARG 85 -5.765 -12.270 -0.392 507 H SER 86 H SER 86 1.696 -8.596 4.193 508 HA SER 86 HA SER 86 2.266 -10.460 2.005 509 HB2 SER 86 HB2 SER 86 4.294 -8.809 3.518 510 HB3 SER 86 HB3 SER 86 4.705 -10.151 2.447 511 HG SER 86 HG SER 86 2.992 -8.352 1.308 512 H GLU 87 H GLU 87 3.282 -9.693 5.304 513 HA GLU 87 HA GLU 87 3.820 -12.470 5.860 514 HB2 GLU 87 HB2 GLU 87 4.430 -11.510 8.156 515 HB3 GLU 87 HB3 GLU 87 5.409 -11.023 6.783 516 HG2 GLU 87 HG2 GLU 87 3.136 -9.346 7.802 517 HG3 GLU 87 HG3 GLU 87 4.767 -9.229 8.459 518 H GLN 88 H GLN 88 1.121 -12.151 5.327 519 HA GLN 88 HA GLN 88 -0.298 -11.953 7.881 520 HB2 GLN 88 HB2 GLN 88 -1.372 -10.845 5.984 521 HB3 GLN 88 HB3 GLN 88 -1.336 -12.345 5.066 522 HG2 GLN 88 HG2 GLN 88 -2.848 -13.377 6.672 523 HG3 GLN 88 HG3 GLN 88 -2.870 -11.891 7.618 524 HE21 GLN 88 HE21 GLN 88 -5.082 -11.660 7.397 525 HE22 GLN 88 HE22 GLN 88 -5.821 -11.181 5.912 Start of MODEL 2 1 H MET 18 H MET 18 -12.436 3.353 -12.028 2 HA MET 18 HA MET 18 -14.232 2.001 -10.135 3 HB2 MET 18 HB2 MET 18 -13.315 -0.106 -11.058 4 HB3 MET 18 HB3 MET 18 -14.287 0.794 -12.215 5 HG2 MET 18 HG2 MET 18 -12.327 1.604 -13.320 6 HG3 MET 18 HG3 MET 18 -11.307 0.893 -12.076 7 HE1 MET 18 HE1 MET 18 -11.737 -2.938 -12.734 8 HE2 MET 18 HE2 MET 18 -12.577 -1.916 -11.568 9 HE3 MET 18 HE3 MET 18 -10.845 -1.713 -11.832 10 H ALA 19 H ALA 19 -13.253 2.585 -8.265 11 HA ALA 19 HA ALA 19 -10.435 2.425 -7.978 12 HB1 ALA 19 HB1 ALA 19 -12.568 2.740 -5.871 13 HB2 ALA 19 HB2 ALA 19 -11.813 4.054 -6.773 14 HB3 ALA 19 HB3 ALA 19 -10.847 3.071 -5.673 15 H LEU 20 H LEU 20 -9.814 1.350 -5.665 16 HA LEU 20 HA LEU 20 -10.794 -1.417 -5.644 17 HB2 LEU 20 HB2 LEU 20 -8.704 -1.256 -6.983 18 HB3 LEU 20 HB3 LEU 20 -7.889 -0.584 -5.587 19 HG LEU 20 HG LEU 20 -8.295 -2.708 -4.368 20 HD11 LEU 20 HD11 LEU 20 -8.979 -4.685 -5.655 21 HD12 LEU 20 HD12 LEU 20 -9.323 -3.651 -7.042 22 HD13 LEU 20 HD13 LEU 20 -10.263 -3.479 -5.559 23 HD21 LEU 20 HD21 LEU 20 -6.633 -4.017 -5.617 24 HD22 LEU 20 HD22 LEU 20 -6.177 -2.319 -5.477 25 HD23 LEU 20 HD23 LEU 20 -6.833 -2.934 -6.995 26 H LYS 21 H LYS 21 -10.924 -2.303 -3.554 27 HA LYS 21 HA LYS 21 -10.420 -0.537 -1.395 28 HB2 LYS 21 HB2 LYS 21 -11.370 -3.403 -1.424 29 HB3 LYS 21 HB3 LYS 21 -11.413 -2.333 -0.028 30 HG2 LYS 21 HG2 LYS 21 -12.904 -0.820 -1.292 31 HG3 LYS 21 HG3 LYS 21 -12.920 -1.997 -2.608 32 HD2 LYS 21 HD2 LYS 21 -13.634 -2.831 0.162 33 HD3 LYS 21 HD3 LYS 21 -14.818 -1.998 -0.838 34 HE2 LYS 21 HE2 LYS 21 -15.113 -4.390 -1.018 35 HE3 LYS 21 HE3 LYS 21 -14.562 -3.732 -2.556 36 HZ1 LYS 21 HZ1 LYS 21 -12.368 -4.545 -2.139 37 HZ2 LYS 21 HZ2 LYS 21 -13.458 -5.821 -1.918 38 HZ3 LYS 21 HZ3 LYS 21 -12.790 -5.043 -0.573 39 H CYS 22 H CYS 22 -8.448 -0.268 -0.570 40 HA CYS 22 HA CYS 22 -6.722 -2.631 -0.313 41 HB2 CYS 22 HB2 CYS 22 -5.706 0.202 -0.654 42 HB3 CYS 22 HB3 CYS 22 -4.748 -1.272 -0.599 43 H PHE 23 H PHE 23 -6.189 -3.039 1.817 44 HA PHE 23 HA PHE 23 -7.065 -1.735 3.973 45 HB2 PHE 23 HB2 PHE 23 -4.438 -3.179 3.657 46 HB3 PHE 23 HB3 PHE 23 -4.966 -2.545 5.207 47 HD1 PHE 23 HD1 PHE 23 -7.766 -3.200 5.335 48 HD2 PHE 23 HD2 PHE 23 -4.536 -5.456 3.731 49 HE1 PHE 23 HE1 PHE 23 -8.991 -5.282 5.800 50 HE2 PHE 23 HE2 PHE 23 -5.760 -7.540 4.183 51 HZ PHE 23 HZ PHE 23 -7.991 -7.454 5.222 52 H THR 24 H THR 24 -6.870 0.227 4.783 53 HA THR 24 HA THR 24 -4.421 1.777 4.266 54 HB THR 24 HB THR 24 -6.899 2.850 5.609 55 HG1 THR 24 HG1 THR 24 -6.740 1.911 3.088 56 HG21 THR 24 HG21 THR 24 -6.132 4.967 4.633 57 HG22 THR 24 HG22 THR 24 -4.777 4.130 3.877 58 HG23 THR 24 HG23 THR 24 -4.876 4.238 5.634 59 H ARG 25 H ARG 25 -3.487 2.895 6.229 60 HA ARG 25 HA ARG 25 -4.150 1.437 8.686 61 HB2 ARG 25 HB2 ARG 25 -1.582 2.404 7.538 62 HB3 ARG 25 HB3 ARG 25 -1.735 2.274 9.285 63 HG2 ARG 25 HG2 ARG 25 -2.520 -0.106 8.881 64 HG3 ARG 25 HG3 ARG 25 -1.933 0.105 7.229 65 HD2 ARG 25 HD2 ARG 25 -0.292 -0.949 8.778 66 HD3 ARG 25 HD3 ARG 25 0.284 0.522 7.995 67 HE ARG 25 HE ARG 25 -0.472 1.614 10.194 68 HH11 ARG 25 HH11 ARG 25 0.934 -1.574 9.913 69 HH12 ARG 25 HH12 ARG 25 1.533 -1.589 11.538 70 HH21 ARG 25 HH21 ARG 25 0.347 1.611 12.323 71 HH22 ARG 25 HH22 ARG 25 1.172 0.196 12.924 72 H ASN 26 H ASN 26 -5.299 2.578 10.043 73 HA ASN 26 HA ASN 26 -4.613 5.400 10.493 74 HB2 ASN 26 HB2 ASN 26 -6.987 5.115 10.199 75 HB3 ASN 26 HB3 ASN 26 -7.020 3.759 11.320 76 HD21 ASN 26 HD21 ASN 26 -7.198 4.117 13.456 77 HD22 ASN 26 HD22 ASN 26 -7.384 5.698 14.154 78 H GLY 27 H GLY 27 -2.867 5.399 11.792 79 HA2 GLY 27 HA2 GLY 27 -1.663 5.162 13.765 80 HA3 GLY 27 HA3 GLY 27 -3.072 4.406 14.504 81 H ASP 28 H ASP 28 -3.346 2.184 14.356 82 HA ASP 28 HA ASP 28 -1.336 0.709 12.875 83 HB2 ASP 28 HB2 ASP 28 -0.624 0.828 15.343 84 HB3 ASP 28 HB3 ASP 28 -1.997 -0.227 15.662 85 H ASP 29 H ASP 29 -4.484 1.321 13.282 86 HA ASP 29 HA ASP 29 -5.405 -1.452 13.393 87 HB2 ASP 29 HB2 ASP 29 -7.654 -0.653 13.368 88 HB3 ASP 29 HB3 ASP 29 -6.791 0.312 14.555 89 H ARG 30 H ARG 30 -6.962 -1.976 11.483 90 HA ARG 30 HA ARG 30 -5.534 -1.095 9.097 91 HB2 ARG 30 HB2 ARG 30 -6.715 -3.853 9.383 92 HB3 ARG 30 HB3 ARG 30 -5.746 -3.233 8.053 93 HG2 ARG 30 HG2 ARG 30 -4.851 -3.928 10.832 94 HG3 ARG 30 HG3 ARG 30 -4.361 -4.629 9.296 95 HD2 ARG 30 HD2 ARG 30 -2.918 -2.941 8.806 96 HD3 ARG 30 HD3 ARG 30 -3.870 -1.737 9.673 97 HE ARG 30 HE ARG 30 -2.912 -2.523 11.731 98 HH11 ARG 30 HH11 ARG 30 -1.379 -3.725 8.823 99 HH12 ARG 30 HH12 ARG 30 0.093 -4.192 9.629 100 HH21 ARG 30 HH21 ARG 30 -0.969 -3.077 12.805 101 HH22 ARG 30 HH22 ARG 30 0.321 -3.808 11.891 102 H THR 31 H THR 31 -6.778 -0.378 7.552 103 HA THR 31 HA THR 31 -9.652 -0.250 8.201 104 HB THR 31 HB THR 31 -8.262 1.844 6.568 105 HG1 THR 31 HG1 THR 31 -8.174 1.555 9.415 106 HG21 THR 31 HG21 THR 31 -9.959 3.286 7.558 107 HG22 THR 31 HG22 THR 31 -10.538 1.949 8.552 108 HG23 THR 31 HG23 THR 31 -10.710 1.883 6.798 109 H VAL 32 H VAL 32 -10.942 -1.243 6.778 110 HA VAL 32 HA VAL 32 -10.004 -1.864 4.081 111 HB VAL 32 HB VAL 32 -12.686 -2.482 5.346 112 HG11 VAL 32 HG11 VAL 32 -12.958 -4.054 3.490 113 HG12 VAL 32 HG12 VAL 32 -11.413 -3.534 2.819 114 HG13 VAL 32 HG13 VAL 32 -12.762 -2.401 2.906 115 HG21 VAL 32 HG21 VAL 32 -10.288 -4.273 4.986 116 HG22 VAL 32 HG22 VAL 32 -11.867 -4.770 5.592 117 HG23 VAL 32 HG23 VAL 32 -10.885 -3.635 6.518 118 H THR 33 H THR 33 -9.999 0.051 2.946 119 HA THR 33 HA THR 33 -12.587 1.422 2.788 120 HB THR 33 HB THR 33 -11.265 3.428 2.140 121 HG1 THR 33 HG1 THR 33 -8.880 2.860 3.055 122 HG21 THR 33 HG21 THR 33 -11.969 3.127 4.465 123 HG22 THR 33 HG22 THR 33 -10.398 3.924 4.380 124 HG23 THR 33 HG23 THR 33 -10.498 2.214 4.799 125 H THR 34 H THR 34 -13.351 2.099 0.840 126 HA THR 34 HA THR 34 -12.075 1.025 -1.566 127 HB THR 34 HB THR 34 -14.465 0.636 -1.563 128 HG1 THR 34 HG1 THR 34 -13.983 2.896 -3.232 129 HG21 THR 34 HG21 THR 34 -15.117 2.326 0.080 130 HG22 THR 34 HG22 THR 34 -16.102 2.446 -1.379 131 HG23 THR 34 HG23 THR 34 -14.798 3.601 -1.097 132 H CYS 35 H CYS 35 -10.638 2.374 -2.498 133 HA CYS 35 HA CYS 35 -10.475 5.034 -1.454 134 HB2 CYS 35 HB2 CYS 35 -8.533 3.370 -2.059 135 HB3 CYS 35 HB3 CYS 35 -8.697 4.072 -3.662 136 H ALA 36 H ALA 36 -9.255 6.221 -3.849 137 HA ALA 36 HA ALA 36 -11.820 7.181 -4.919 138 HB1 ALA 36 HB1 ALA 36 -9.090 8.461 -5.028 139 HB2 ALA 36 HB2 ALA 36 -10.405 8.910 -3.940 140 HB3 ALA 36 HB3 ALA 36 -10.580 9.147 -5.678 141 H GLU 37 H GLU 37 -11.844 7.690 -7.253 142 HA GLU 37 HA GLU 37 -11.132 5.662 -8.915 143 HB2 GLU 37 HB2 GLU 37 -11.582 8.580 -9.553 144 HB3 GLU 37 HB3 GLU 37 -11.492 7.319 -10.770 145 HG2 GLU 37 HG2 GLU 37 -13.482 7.314 -8.521 146 HG3 GLU 37 HG3 GLU 37 -13.800 8.005 -10.112 147 H GLU 38 H GLU 38 -9.103 8.032 -7.641 148 HA GLU 38 HA GLU 38 -7.116 8.253 -9.673 149 HB2 GLU 38 HB2 GLU 38 -7.367 9.877 -7.822 150 HB3 GLU 38 HB3 GLU 38 -6.933 8.622 -6.671 151 HG2 GLU 38 HG2 GLU 38 -4.757 8.446 -8.049 152 HG3 GLU 38 HG3 GLU 38 -5.217 10.031 -8.664 153 H GLN 39 H GLN 39 -7.818 5.933 -7.116 154 HA GLN 39 HA GLN 39 -5.085 4.900 -7.325 155 HB2 GLN 39 HB2 GLN 39 -7.063 4.670 -5.057 156 HB3 GLN 39 HB3 GLN 39 -5.560 3.757 -5.149 157 HG2 GLN 39 HG2 GLN 39 -4.771 5.487 -3.959 158 HG3 GLN 39 HG3 GLN 39 -4.580 6.199 -5.552 159 HE21 GLN 39 HE21 GLN 39 -4.967 7.363 -2.907 160 HE22 GLN 39 HE22 GLN 39 -6.316 8.437 -3.075 161 H THR 40 H THR 40 -4.918 3.265 -8.603 162 HA THR 40 HA THR 40 -6.928 1.139 -8.509 163 HB THR 40 HB THR 40 -5.711 0.610 -10.793 164 HG1 THR 40 HG1 THR 40 -5.456 3.296 -11.194 165 HG21 THR 40 HG21 THR 40 -8.062 1.207 -10.612 166 HG22 THR 40 HG22 THR 40 -7.321 2.082 -11.952 167 HG23 THR 40 HG23 THR 40 -7.637 2.908 -10.426 168 H ARG 41 H ARG 41 -4.290 1.674 -6.952 169 HA ARG 41 HA ARG 41 -3.364 -1.079 -7.116 170 HB2 ARG 41 HB2 ARG 41 -1.801 0.503 -8.452 171 HB3 ARG 41 HB3 ARG 41 -1.355 1.164 -6.893 172 HG2 ARG 41 HG2 ARG 41 0.203 -0.503 -7.749 173 HG3 ARG 41 HG3 ARG 41 -0.502 -0.957 -6.204 174 HD2 ARG 41 HD2 ARG 41 -0.407 -2.860 -7.729 175 HD3 ARG 41 HD3 ARG 41 -2.072 -2.440 -7.339 176 HE ARG 41 HE ARG 41 -2.284 -1.489 -9.535 177 HH11 ARG 41 HH11 ARG 41 0.661 -3.304 -8.983 178 HH12 ARG 41 HH12 ARG 41 0.874 -3.716 -10.654 179 HH21 ARG 41 HH21 ARG 41 -2.020 -2.047 -11.744 180 HH22 ARG 41 HH22 ARG 41 -0.653 -2.995 -12.231 181 H CYS 42 H CYS 42 -1.575 -1.144 -5.138 182 HA CYS 42 HA CYS 42 -2.798 0.122 -2.858 183 HB2 CYS 42 HB2 CYS 42 -2.205 -2.847 -2.714 184 HB3 CYS 42 HB3 CYS 42 -2.993 -1.839 -1.511 185 H LEU 43 H LEU 43 -1.289 0.377 -1.144 186 HA LEU 43 HA LEU 43 1.500 -0.014 -2.018 187 HB2 LEU 43 HB2 LEU 43 0.292 2.291 -1.483 188 HB3 LEU 43 HB3 LEU 43 0.727 1.871 0.159 189 HG LEU 43 HG LEU 43 2.505 2.557 -2.143 190 HD11 LEU 43 HD11 LEU 43 1.782 4.360 -0.734 191 HD12 LEU 43 HD12 LEU 43 3.507 4.071 -0.517 192 HD13 LEU 43 HD13 LEU 43 2.358 3.506 0.696 193 HD21 LEU 43 HD21 LEU 43 4.454 1.875 -0.838 194 HD22 LEU 43 HD22 LEU 43 3.443 0.499 -1.277 195 HD23 LEU 43 HD23 LEU 43 3.386 1.149 0.362 196 H PHE 44 H PHE 44 2.474 -1.680 -0.982 197 HA PHE 44 HA PHE 44 2.197 -1.742 1.949 198 HB2 PHE 44 HB2 PHE 44 1.140 -3.715 1.083 199 HB3 PHE 44 HB3 PHE 44 2.489 -4.025 -0.010 200 HD1 PHE 44 HD1 PHE 44 1.855 -3.623 3.662 201 HD2 PHE 44 HD2 PHE 44 3.998 -5.613 0.571 202 HE1 PHE 44 HE1 PHE 44 2.960 -5.050 5.343 203 HE2 PHE 44 HE2 PHE 44 5.106 -7.025 2.245 204 HZ PHE 44 HZ PHE 44 4.587 -6.765 4.624 205 H VAL 45 H VAL 45 4.028 -0.882 2.760 206 HA VAL 45 HA VAL 45 6.585 -1.605 1.472 207 HB VAL 45 HB VAL 45 6.062 0.660 3.415 208 HG11 VAL 45 HG11 VAL 45 8.550 -0.080 1.879 209 HG12 VAL 45 HG12 VAL 45 8.321 -0.191 3.623 210 HG13 VAL 45 HG13 VAL 45 8.341 1.387 2.835 211 HG21 VAL 45 HG21 VAL 45 6.445 2.148 1.507 212 HG22 VAL 45 HG22 VAL 45 5.044 1.110 1.246 213 HG23 VAL 45 HG23 VAL 45 6.572 0.748 0.444 214 H GLN 46 H GLN 46 8.161 -2.648 2.738 215 HA GLN 46 HA GLN 46 7.081 -3.982 5.113 216 HB2 GLN 46 HB2 GLN 46 9.916 -4.382 4.462 217 HB3 GLN 46 HB3 GLN 46 8.711 -5.542 4.956 218 HG2 GLN 46 HG2 GLN 46 8.933 -4.438 2.168 219 HG3 GLN 46 HG3 GLN 46 9.718 -5.889 2.756 220 HE21 GLN 46 HE21 GLN 46 7.644 -6.822 4.402 221 HE22 GLN 46 HE22 GLN 46 6.385 -7.385 3.365 222 H LEU 47 H LEU 47 7.958 -3.681 7.115 223 HA LEU 47 HA LEU 47 10.020 -1.717 7.488 224 HB2 LEU 47 HB2 LEU 47 7.233 -1.271 8.517 225 HB3 LEU 47 HB3 LEU 47 8.611 -0.680 9.418 226 HG LEU 47 HG LEU 47 7.839 1.156 8.199 227 HD11 LEU 47 HD11 LEU 47 10.102 -0.022 6.606 228 HD12 LEU 47 HD12 LEU 47 10.248 0.916 8.091 229 HD13 LEU 47 HD13 LEU 47 9.625 1.675 6.626 230 HD21 LEU 47 HD21 LEU 47 7.396 1.133 5.792 231 HD22 LEU 47 HD22 LEU 47 6.346 0.027 6.678 232 HD23 LEU 47 HD23 LEU 47 7.715 -0.602 5.761 233 HA PRO 48 HA PRO 48 10.569 -4.474 10.984 234 HB2 PRO 48 HB2 PRO 48 12.583 -3.204 12.234 235 HB3 PRO 48 HB3 PRO 48 12.823 -4.052 10.703 236 HG2 PRO 48 HG2 PRO 48 12.629 -1.140 11.244 237 HG3 PRO 48 HG3 PRO 48 13.558 -1.996 10.005 238 HD2 PRO 48 HD2 PRO 48 11.089 -0.696 9.647 239 HD3 PRO 48 HD3 PRO 48 11.873 -1.802 8.505 240 H TYR 49 H TYR 49 8.815 -1.866 11.031 241 HA TYR 49 HA TYR 49 8.625 -1.688 13.939 242 HB2 TYR 49 HB2 TYR 49 8.220 0.751 12.204 243 HB3 TYR 49 HB3 TYR 49 8.319 0.674 13.958 244 HD1 TYR 49 HD1 TYR 49 10.620 -0.138 14.926 245 HD2 TYR 49 HD2 TYR 49 10.079 1.371 10.985 246 HE1 TYR 49 HE1 TYR 49 13.021 0.382 14.799 247 HE2 TYR 49 HE2 TYR 49 12.476 1.893 10.846 248 HH TYR 49 HH TYR 49 14.356 2.331 12.355 249 H SER 50 H SER 50 7.067 -0.517 10.959 250 HA SER 50 HA SER 50 4.629 -1.854 11.560 251 HB2 SER 50 HB2 SER 50 4.585 1.180 11.542 252 HB3 SER 50 HB3 SER 50 3.180 0.122 11.659 253 HG SER 50 HG SER 50 4.592 -0.697 13.598 254 H GLU 51 H GLU 51 3.499 -2.187 9.651 255 HA GLU 51 HA GLU 51 5.124 -1.677 7.300 256 HB2 GLU 51 HB2 GLU 51 2.477 -2.941 6.958 257 HB3 GLU 51 HB3 GLU 51 4.042 -3.427 6.331 258 HG2 GLU 51 HG2 GLU 51 3.570 -5.161 7.740 259 HG3 GLU 51 HG3 GLU 51 4.501 -4.111 8.808 260 H ILE 52 H ILE 52 4.295 -0.715 5.377 261 HA ILE 52 HA ILE 52 2.452 1.493 5.975 262 HB ILE 52 HB ILE 52 4.319 1.080 3.632 263 HG12 ILE 52 HG12 ILE 52 4.341 3.053 5.919 264 HG13 ILE 52 HG13 ILE 52 5.431 1.690 5.729 265 HG21 ILE 52 HG21 ILE 52 3.658 3.302 2.887 266 HG22 ILE 52 HG22 ILE 52 2.505 3.420 4.217 267 HG23 ILE 52 HG23 ILE 52 2.260 2.226 2.941 268 HD11 ILE 52 HD11 ILE 52 6.360 2.711 3.722 269 HD12 ILE 52 HD12 ILE 52 6.503 3.782 5.117 270 HD13 ILE 52 HD13 ILE 52 5.256 4.075 3.902 271 H GLN 53 H GLN 53 0.458 1.556 5.104 272 HA GLN 53 HA GLN 53 -0.212 -0.215 2.922 273 HB2 GLN 53 HB2 GLN 53 -1.801 -0.260 5.502 274 HB3 GLN 53 HB3 GLN 53 -2.236 -1.091 4.016 275 HG2 GLN 53 HG2 GLN 53 -0.361 -2.564 4.217 276 HG3 GLN 53 HG3 GLN 53 0.268 -1.648 5.588 277 HE21 GLN 53 HE21 GLN 53 -2.113 -3.932 4.516 278 HE22 GLN 53 HE22 GLN 53 -2.659 -4.399 6.089 279 H GLU 54 H GLU 54 -1.405 0.920 1.510 280 HA GLU 54 HA GLU 54 -3.570 2.613 2.188 281 HB2 GLU 54 HB2 GLU 54 -2.483 4.748 1.296 282 HB3 GLU 54 HB3 GLU 54 -2.062 4.262 2.926 283 HG2 GLU 54 HG2 GLU 54 0.026 3.265 2.031 284 HG3 GLU 54 HG3 GLU 54 -0.375 3.938 0.446 285 H CYS 55 H CYS 55 -4.309 3.896 0.200 286 HA CYS 55 HA CYS 55 -4.084 2.105 -2.119 287 HB2 CYS 55 HB2 CYS 55 -5.918 3.705 -3.006 288 HB3 CYS 55 HB3 CYS 55 -6.365 2.590 -1.735 289 H LYS 56 H LYS 56 -3.252 2.774 -4.040 290 HA LYS 56 HA LYS 56 -2.392 5.530 -4.335 291 HB2 LYS 56 HB2 LYS 56 -0.461 3.215 -4.641 292 HB3 LYS 56 HB3 LYS 56 -0.128 4.871 -5.122 293 HG2 LYS 56 HG2 LYS 56 -0.691 3.959 -2.313 294 HG3 LYS 56 HG3 LYS 56 0.909 4.270 -2.987 295 HD2 LYS 56 HD2 LYS 56 0.493 6.572 -3.188 296 HD3 LYS 56 HD3 LYS 56 -1.250 6.357 -2.986 297 HE2 LYS 56 HE2 LYS 56 -0.878 5.622 -0.685 298 HE3 LYS 56 HE3 LYS 56 0.850 5.872 -0.883 299 HZ1 LYS 56 HZ1 LYS 56 -1.200 7.997 -1.114 300 HZ2 LYS 56 HZ2 LYS 56 0.479 8.209 -1.168 301 HZ3 LYS 56 HZ3 LYS 56 -0.266 7.691 0.268 302 H THR 57 H THR 57 -2.298 6.104 -6.602 303 HA THR 57 HA THR 57 -3.468 4.430 -8.438 304 HB THR 57 HB THR 57 -3.137 6.073 -9.991 305 HG1 THR 57 HG1 THR 57 -1.085 7.167 -10.234 306 HG21 THR 57 HG21 THR 57 -1.970 7.611 -7.680 307 HG22 THR 57 HG22 THR 57 -3.685 7.215 -7.818 308 HG23 THR 57 HG23 THR 57 -2.912 8.239 -9.033 309 H VAL 58 H VAL 58 -2.583 3.059 -10.120 310 HA VAL 58 HA VAL 58 -0.537 1.418 -9.475 311 HB VAL 58 HB VAL 58 -1.245 2.256 -12.310 312 HG11 VAL 58 HG11 VAL 58 0.159 -0.228 -11.331 313 HG12 VAL 58 HG12 VAL 58 0.908 1.103 -12.212 314 HG13 VAL 58 HG13 VAL 58 -0.317 0.106 -12.996 315 HG21 VAL 58 HG21 VAL 58 -2.677 0.261 -12.292 316 HG22 VAL 58 HG22 VAL 58 -3.173 1.442 -11.080 317 HG23 VAL 58 HG23 VAL 58 -2.279 0.003 -10.594 318 H GLN 59 H GLN 59 -0.256 4.483 -11.256 319 HA GLN 59 HA GLN 59 2.550 4.185 -11.843 320 HB2 GLN 59 HB2 GLN 59 1.326 5.646 -13.299 321 HB3 GLN 59 HB3 GLN 59 0.713 6.580 -11.937 322 HG2 GLN 59 HG2 GLN 59 3.101 7.170 -11.400 323 HG3 GLN 59 HG3 GLN 59 3.541 6.453 -12.954 324 HE21 GLN 59 HE21 GLN 59 3.918 9.155 -12.123 325 HE22 GLN 59 HE22 GLN 59 3.019 10.154 -13.212 326 H GLN 60 H GLN 60 0.611 6.060 -9.505 327 HA GLN 60 HA GLN 60 2.792 7.512 -8.390 328 HB2 GLN 60 HB2 GLN 60 0.447 8.197 -8.093 329 HB3 GLN 60 HB3 GLN 60 0.114 6.732 -7.187 330 HG2 GLN 60 HG2 GLN 60 1.783 7.500 -5.492 331 HG3 GLN 60 HG3 GLN 60 1.875 9.028 -6.365 332 HE21 GLN 60 HE21 GLN 60 -0.974 8.973 -7.048 333 HE22 GLN 60 HE22 GLN 60 -1.835 9.375 -5.603 334 H CYS 61 H CYS 61 1.370 4.357 -7.684 335 HA CYS 61 HA CYS 61 2.856 4.037 -5.233 336 HB2 CYS 61 HB2 CYS 61 0.648 2.850 -6.000 337 HB3 CYS 61 HB3 CYS 61 1.737 1.737 -6.817 338 H ALA 62 H ALA 62 3.398 3.343 -8.648 339 HA ALA 62 HA ALA 62 5.762 1.746 -8.225 340 HB1 ALA 62 HB1 ALA 62 4.886 3.342 -10.636 341 HB2 ALA 62 HB2 ALA 62 4.576 1.629 -10.352 342 HB3 ALA 62 HB3 ALA 62 6.228 2.198 -10.595 343 H GLU 63 H GLU 63 5.066 5.149 -8.880 344 HA GLU 63 HA GLU 63 7.525 6.286 -8.812 345 HB2 GLU 63 HB2 GLU 63 4.981 7.310 -7.565 346 HB3 GLU 63 HB3 GLU 63 6.359 8.301 -7.966 347 HG2 GLU 63 HG2 GLU 63 4.612 6.795 -9.875 348 HG3 GLU 63 HG3 GLU 63 4.695 8.528 -9.638 349 H VAL 64 H VAL 64 5.396 5.973 -5.996 350 HA VAL 64 HA VAL 64 7.234 6.574 -4.105 351 HB VAL 64 HB VAL 64 5.591 5.963 -2.585 352 HG11 VAL 64 HG11 VAL 64 4.977 7.861 -3.914 353 HG12 VAL 64 HG12 VAL 64 3.553 6.959 -3.398 354 HG13 VAL 64 HG13 VAL 64 4.149 6.794 -5.052 355 HG21 VAL 64 HG21 VAL 64 4.548 4.127 -4.632 356 HG22 VAL 64 HG22 VAL 64 3.630 4.569 -3.191 357 HG23 VAL 64 HG23 VAL 64 5.181 3.741 -3.036 358 H LEU 65 H LEU 65 6.448 3.464 -5.545 359 HA LEU 65 HA LEU 65 7.746 1.743 -3.889 360 HB2 LEU 65 HB2 LEU 65 6.657 1.496 -6.329 361 HB3 LEU 65 HB3 LEU 65 8.344 1.468 -6.789 362 HG LEU 65 HG LEU 65 7.836 -0.768 -6.597 363 HD11 LEU 65 HD11 LEU 65 8.791 -1.634 -4.496 364 HD12 LEU 65 HD12 LEU 65 8.923 0.040 -3.953 365 HD13 LEU 65 HD13 LEU 65 9.800 -0.496 -5.384 366 HD21 LEU 65 HD21 LEU 65 6.246 -0.161 -4.125 367 HD22 LEU 65 HD22 LEU 65 6.484 -1.764 -4.821 368 HD23 LEU 65 HD23 LEU 65 5.597 -0.533 -5.721 369 H GLU 66 H GLU 66 9.198 3.720 -6.474 370 HA GLU 66 HA GLU 66 11.786 2.712 -5.927 371 HB2 GLU 66 HB2 GLU 66 11.105 3.534 -8.173 372 HB3 GLU 66 HB3 GLU 66 11.081 5.170 -7.525 373 HG2 GLU 66 HG2 GLU 66 13.451 5.058 -7.059 374 HG3 GLU 66 HG3 GLU 66 13.502 3.381 -7.596 375 H GLU 67 H GLU 67 10.039 5.519 -4.780 376 HA GLU 67 HA GLU 67 12.315 6.974 -3.920 377 HB2 GLU 67 HB2 GLU 67 10.745 8.245 -2.574 378 HB3 GLU 67 HB3 GLU 67 10.096 7.984 -4.192 379 HG2 GLU 67 HG2 GLU 67 8.796 6.180 -3.427 380 HG3 GLU 67 HG3 GLU 67 9.460 6.344 -1.816 381 H VAL 68 H VAL 68 10.101 4.745 -2.223 382 HA VAL 68 HA VAL 68 11.681 4.660 0.090 383 HB VAL 68 HB VAL 68 10.285 2.757 0.796 384 HG11 VAL 68 HG11 VAL 68 9.452 5.019 1.092 385 HG12 VAL 68 HG12 VAL 68 8.126 3.912 0.737 386 HG13 VAL 68 HG13 VAL 68 8.741 4.984 -0.522 387 HG21 VAL 68 HG21 VAL 68 8.499 1.903 -0.649 388 HG22 VAL 68 HG22 VAL 68 10.085 1.583 -1.349 389 HG23 VAL 68 HG23 VAL 68 9.090 2.895 -1.981 390 H THR 69 H THR 69 11.562 2.511 -2.701 391 HA THR 69 HA THR 69 13.205 0.537 -1.570 392 HB THR 69 HB THR 69 12.499 1.087 -4.453 393 HG1 THR 69 HG1 THR 69 10.679 0.552 -3.392 394 HG21 THR 69 HG21 THR 69 13.050 -1.267 -4.874 395 HG22 THR 69 HG22 THR 69 13.678 -1.412 -3.230 396 HG23 THR 69 HG23 THR 69 14.477 -0.346 -4.388 397 H ALA 70 H ALA 70 13.973 3.459 -3.347 398 HA ALA 70 HA ALA 70 16.691 2.903 -3.691 399 HB1 ALA 70 HB1 ALA 70 15.377 5.594 -3.308 400 HB2 ALA 70 HB2 ALA 70 15.541 4.737 -4.841 401 HB3 ALA 70 HB3 ALA 70 16.977 5.310 -3.993 402 H ILE 71 H ILE 71 14.882 3.809 -0.911 403 HA ILE 71 HA ILE 71 17.160 4.669 0.656 404 HB ILE 71 HB ILE 71 14.483 3.844 1.773 405 HG12 ILE 71 HG12 ILE 71 15.199 6.574 0.684 406 HG13 ILE 71 HG13 ILE 71 14.105 5.437 -0.089 407 HG21 ILE 71 HG21 ILE 71 16.228 4.237 3.396 408 HG22 ILE 71 HG22 ILE 71 15.043 5.542 3.480 409 HG23 ILE 71 HG23 ILE 71 16.589 5.805 2.674 410 HD11 ILE 71 HD11 ILE 71 12.616 5.575 1.848 411 HD12 ILE 71 HD12 ILE 71 12.872 7.147 1.090 412 HD13 ILE 71 HD13 ILE 71 13.707 6.744 2.591 413 H GLY 72 H GLY 72 15.739 1.731 -0.285 414 HA2 GLY 72 HA2 GLY 72 16.727 -0.335 0.252 415 HA3 GLY 72 HA3 GLY 72 17.175 0.314 1.824 416 H TYR 73 H TYR 73 14.029 1.174 1.138 417 HA TYR 73 HA TYR 73 13.035 -0.931 2.898 418 HB2 TYR 73 HB2 TYR 73 11.949 1.776 2.136 419 HB3 TYR 73 HB3 TYR 73 11.035 0.603 3.064 420 HD1 TYR 73 HD1 TYR 73 12.235 -0.308 5.220 421 HD2 TYR 73 HD2 TYR 73 13.248 3.327 3.257 422 HE1 TYR 73 HE1 TYR 73 13.278 0.511 7.290 423 HE2 TYR 73 HE2 TYR 73 14.294 4.157 5.320 424 HH TYR 73 HH TYR 73 14.213 3.773 7.710 425 HA PRO 74 HA PRO 74 11.413 -2.922 -0.836 426 HB2 PRO 74 HB2 PRO 74 10.278 -4.526 1.412 427 HB3 PRO 74 HB3 PRO 74 11.044 -5.074 -0.072 428 HG2 PRO 74 HG2 PRO 74 12.396 -5.177 2.172 429 HG3 PRO 74 HG3 PRO 74 13.194 -4.570 0.705 430 HD2 PRO 74 HD2 PRO 74 12.076 -3.035 3.022 431 HD3 PRO 74 HD3 PRO 74 13.582 -2.782 2.120 432 H ALA 75 H ALA 75 9.624 -2.087 -1.806 433 HA ALA 75 HA ALA 75 7.142 -2.123 -0.228 434 HB1 ALA 75 HB1 ALA 75 6.366 -0.262 -1.550 435 HB2 ALA 75 HB2 ALA 75 7.811 -0.333 -2.555 436 HB3 ALA 75 HB3 ALA 75 7.942 0.123 -0.857 437 H LYS 76 H LYS 76 5.217 -2.754 -1.228 438 HA LYS 76 HA LYS 76 5.467 -4.116 -3.835 439 HB2 LYS 76 HB2 LYS 76 3.738 -5.069 -1.555 440 HB3 LYS 76 HB3 LYS 76 4.166 -5.934 -3.008 441 HG2 LYS 76 HG2 LYS 76 6.308 -5.117 -1.140 442 HG3 LYS 76 HG3 LYS 76 5.254 -6.460 -0.697 443 HD2 LYS 76 HD2 LYS 76 5.761 -7.480 -2.915 444 HD3 LYS 76 HD3 LYS 76 6.970 -6.213 -3.152 445 HE2 LYS 76 HE2 LYS 76 7.698 -8.462 -2.203 446 HE3 LYS 76 HE3 LYS 76 8.318 -7.006 -1.441 447 HZ1 LYS 76 HZ1 LYS 76 6.609 -7.251 0.263 448 HZ2 LYS 76 HZ2 LYS 76 7.588 -8.628 0.205 449 HZ3 LYS 76 HZ3 LYS 76 6.042 -8.666 -0.471 450 H CYS 77 H CYS 77 4.194 -2.875 -5.222 451 HA CYS 77 HA CYS 77 1.521 -2.257 -4.237 452 HB2 CYS 77 HB2 CYS 77 2.823 -1.276 -6.791 453 HB3 CYS 77 HB3 CYS 77 1.344 -0.688 -6.052 454 H CYS 78 H CYS 78 0.331 -4.066 -4.455 455 HA CYS 78 HA CYS 78 0.270 -5.361 -7.100 456 HB2 CYS 78 HB2 CYS 78 -0.629 -7.352 -5.873 457 HB3 CYS 78 HB3 CYS 78 1.022 -6.928 -5.430 458 H CYS 79 H CYS 79 -2.005 -6.301 -7.597 459 HA CYS 79 HA CYS 79 -3.886 -4.185 -6.870 460 HB2 CYS 79 HB2 CYS 79 -3.139 -3.786 -9.171 461 HB3 CYS 79 HB3 CYS 79 -3.595 -5.423 -9.610 462 HG CYS 79 HG CYS 79 -5.953 -3.301 -8.381 463 H GLU 80 H GLU 80 -5.097 -5.200 -5.495 464 HA GLU 80 HA GLU 80 -6.990 -7.154 -6.243 465 HB2 GLU 80 HB2 GLU 80 -4.999 -8.651 -5.993 466 HB3 GLU 80 HB3 GLU 80 -4.794 -8.068 -4.351 467 HG2 GLU 80 HG2 GLU 80 -7.267 -8.918 -4.090 468 HG3 GLU 80 HG3 GLU 80 -6.825 -9.924 -5.470 469 H ASP 81 H ASP 81 -8.413 -7.572 -4.233 470 HA ASP 81 HA ASP 81 -8.562 -5.079 -2.757 471 HB2 ASP 81 HB2 ASP 81 -10.168 -7.627 -2.503 472 HB3 ASP 81 HB3 ASP 81 -10.337 -6.257 -1.414 473 H LEU 82 H LEU 82 -7.847 -4.768 -0.775 474 HA LEU 82 HA LEU 82 -6.734 -5.078 1.182 475 HB2 LEU 82 HB2 LEU 82 -7.488 -7.994 0.991 476 HB3 LEU 82 HB3 LEU 82 -7.189 -7.059 2.438 477 HG LEU 82 HG LEU 82 -9.434 -7.142 2.570 478 HD11 LEU 82 HD11 LEU 82 -9.036 -4.796 2.373 479 HD12 LEU 82 HD12 LEU 82 -10.588 -5.213 1.646 480 HD13 LEU 82 HD13 LEU 82 -9.189 -4.896 0.619 481 HD21 LEU 82 HD21 LEU 82 -9.512 -7.485 -0.376 482 HD22 LEU 82 HD22 LEU 82 -10.964 -7.275 0.599 483 HD23 LEU 82 HD23 LEU 82 -9.903 -8.652 0.884 484 H CYS 83 H CYS 83 -5.521 -5.852 -1.556 485 HA CYS 83 HA CYS 83 -3.749 -7.894 -1.203 486 HB2 CYS 83 HB2 CYS 83 -4.358 -6.643 -3.353 487 HB3 CYS 83 HB3 CYS 83 -3.069 -5.523 -2.927 488 H ASN 84 H ASN 84 -3.337 -4.570 -0.170 489 HA ASN 84 HA ASN 84 -0.509 -4.997 0.334 490 HB2 ASN 84 HB2 ASN 84 -0.642 -2.732 1.492 491 HB3 ASN 84 HB3 ASN 84 -0.822 -2.757 -0.251 492 HD21 ASN 84 HD21 ASN 84 -3.392 -3.629 1.983 493 HD22 ASN 84 HD22 ASN 84 -4.374 -2.237 1.660 494 H ARG 85 H ARG 85 -0.247 -6.502 1.898 495 HA ARG 85 HA ARG 85 -1.821 -6.246 4.326 496 HB2 ARG 85 HB2 ARG 85 -2.185 -8.788 4.272 497 HB3 ARG 85 HB3 ARG 85 -3.207 -7.797 3.240 498 HG2 ARG 85 HG2 ARG 85 -1.460 -8.287 1.411 499 HG3 ARG 85 HG3 ARG 85 -0.941 -9.593 2.478 500 HD2 ARG 85 HD2 ARG 85 -3.051 -10.654 2.361 501 HD3 ARG 85 HD3 ARG 85 -3.804 -9.237 1.630 502 HE ARG 85 HE ARG 85 -1.697 -10.657 0.168 503 HH11 ARG 85 HH11 ARG 85 -5.052 -9.695 0.450 504 HH12 ARG 85 HH12 ARG 85 -5.463 -10.166 -1.178 505 HH21 ARG 85 HH21 ARG 85 -2.243 -11.253 -1.991 506 HH22 ARG 85 HH22 ARG 85 -3.873 -11.026 -2.563 507 H SER 86 H SER 86 -0.932 -7.437 6.114 508 HA SER 86 HA SER 86 1.780 -7.029 6.412 509 HB2 SER 86 HB2 SER 86 0.079 -8.945 8.018 510 HB3 SER 86 HB3 SER 86 1.540 -8.113 8.555 511 HG SER 86 HG SER 86 0.472 -6.215 8.632 512 H GLU 87 H GLU 87 3.350 -8.010 5.395 513 HA GLU 87 HA GLU 87 3.166 -10.814 4.680 514 HB2 GLU 87 HB2 GLU 87 3.858 -9.253 2.972 515 HB3 GLU 87 HB3 GLU 87 5.128 -8.617 4.005 516 HG2 GLU 87 HG2 GLU 87 6.328 -10.693 3.865 517 HG3 GLU 87 HG3 GLU 87 5.033 -11.411 2.909 518 H GLN 88 H GLN 88 4.757 -8.766 6.944 519 HA GLN 88 HA GLN 88 6.412 -11.007 7.832 520 HB2 GLN 88 HB2 GLN 88 7.869 -9.011 8.842 521 HB3 GLN 88 HB3 GLN 88 8.191 -9.707 7.264 522 HG2 GLN 88 HG2 GLN 88 8.278 -7.254 7.270 523 HG3 GLN 88 HG3 GLN 88 7.062 -7.890 6.170 524 HE21 GLN 88 HE21 GLN 88 7.624 -6.158 9.138 525 HE22 GLN 88 HE22 GLN 88 6.011 -5.562 9.320 Start of MODEL 3 1 H MET 18 H MET 18 -12.881 1.768 -11.054 2 HA MET 18 HA MET 18 -14.313 0.096 -10.166 3 HB2 MET 18 HB2 MET 18 -13.473 -1.807 -11.463 4 HB3 MET 18 HB3 MET 18 -11.945 -1.743 -10.596 5 HG2 MET 18 HG2 MET 18 -13.319 -3.535 -9.749 6 HG3 MET 18 HG3 MET 18 -13.107 -2.295 -8.515 7 HE1 MET 18 HE1 MET 18 -15.566 -3.881 -11.137 8 HE2 MET 18 HE2 MET 18 -15.485 -2.198 -11.659 9 HE3 MET 18 HE3 MET 18 -16.979 -2.837 -10.974 10 H ALA 19 H ALA 19 -14.440 0.645 -8.087 11 HA ALA 19 HA ALA 19 -12.373 1.660 -6.603 12 HB1 ALA 19 HB1 ALA 19 -14.889 0.378 -5.543 13 HB2 ALA 19 HB2 ALA 19 -14.740 2.041 -6.108 14 HB3 ALA 19 HB3 ALA 19 -13.855 1.515 -4.677 15 H LEU 20 H LEU 20 -10.825 0.854 -5.298 16 HA LEU 20 HA LEU 20 -10.585 -2.076 -5.236 17 HB2 LEU 20 HB2 LEU 20 -8.635 0.105 -5.509 18 HB3 LEU 20 HB3 LEU 20 -8.171 -1.132 -4.362 19 HG LEU 20 HG LEU 20 -7.202 -1.616 -6.515 20 HD11 LEU 20 HD11 LEU 20 -8.061 -3.871 -6.878 21 HD12 LEU 20 HD12 LEU 20 -9.479 -3.490 -5.901 22 HD13 LEU 20 HD13 LEU 20 -7.877 -3.515 -5.161 23 HD21 LEU 20 HD21 LEU 20 -8.845 -0.408 -7.889 24 HD22 LEU 20 HD22 LEU 20 -10.009 -1.703 -7.604 25 HD23 LEU 20 HD23 LEU 20 -8.519 -2.033 -8.488 26 H LYS 21 H LYS 21 -10.513 -3.119 -3.342 27 HA LYS 21 HA LYS 21 -10.983 -1.563 -0.892 28 HB2 LYS 21 HB2 LYS 21 -11.266 -4.487 -1.557 29 HB3 LYS 21 HB3 LYS 21 -11.121 -3.952 0.106 30 HG2 LYS 21 HG2 LYS 21 -13.331 -3.755 0.110 31 HG3 LYS 21 HG3 LYS 21 -13.128 -2.353 -0.943 32 HD2 LYS 21 HD2 LYS 21 -13.311 -5.172 -1.967 33 HD3 LYS 21 HD3 LYS 21 -14.717 -4.121 -1.772 34 HE2 LYS 21 HE2 LYS 21 -14.035 -2.677 -3.429 35 HE3 LYS 21 HE3 LYS 21 -12.342 -3.136 -3.266 36 HZ1 LYS 21 HZ1 LYS 21 -14.461 -4.851 -4.441 37 HZ2 LYS 21 HZ2 LYS 21 -12.810 -5.233 -4.335 38 HZ3 LYS 21 HZ3 LYS 21 -13.329 -3.958 -5.322 39 H CYS 22 H CYS 22 -9.179 -1.006 0.162 40 HA CYS 22 HA CYS 22 -7.024 -2.995 0.299 41 HB2 CYS 22 HB2 CYS 22 -6.749 -1.222 -1.503 42 HB3 CYS 22 HB3 CYS 22 -6.614 -0.050 -0.204 43 H PHE 23 H PHE 23 -5.377 -2.336 2.033 44 HA PHE 23 HA PHE 23 -6.979 -1.632 4.380 45 HB2 PHE 23 HB2 PHE 23 -4.328 -3.084 4.201 46 HB3 PHE 23 HB3 PHE 23 -5.056 -2.536 5.704 47 HD1 PHE 23 HD1 PHE 23 -7.309 -3.507 6.363 48 HD2 PHE 23 HD2 PHE 23 -4.879 -5.150 3.283 49 HE1 PHE 23 HE1 PHE 23 -8.508 -5.646 6.562 50 HE2 PHE 23 HE2 PHE 23 -6.067 -7.292 3.480 51 HZ PHE 23 HZ PHE 23 -7.887 -7.544 5.120 52 H THR 24 H THR 24 -6.736 0.380 5.014 53 HA THR 24 HA THR 24 -4.179 1.722 4.459 54 HB THR 24 HB THR 24 -6.861 3.003 5.036 55 HG1 THR 24 HG1 THR 24 -7.185 2.451 2.993 56 HG21 THR 24 HG21 THR 24 -5.793 5.070 4.301 57 HG22 THR 24 HG22 THR 24 -4.276 4.208 4.041 58 HG23 THR 24 HG23 THR 24 -4.923 4.381 5.673 59 H ARG 25 H ARG 25 -3.008 2.517 6.146 60 HA ARG 25 HA ARG 25 -3.825 1.614 8.796 61 HB2 ARG 25 HB2 ARG 25 -1.545 1.121 8.194 62 HB3 ARG 25 HB3 ARG 25 -1.246 2.796 7.745 63 HG2 ARG 25 HG2 ARG 25 -0.213 2.523 9.823 64 HG3 ARG 25 HG3 ARG 25 -1.719 3.371 10.166 65 HD2 ARG 25 HD2 ARG 25 -1.839 1.804 11.791 66 HD3 ARG 25 HD3 ARG 25 -2.594 0.892 10.487 67 HE ARG 25 HE ARG 25 -0.283 -0.082 10.132 68 HH11 ARG 25 HH11 ARG 25 -1.274 1.196 13.219 69 HH12 ARG 25 HH12 ARG 25 -0.364 0.059 14.160 70 HH21 ARG 25 HH21 ARG 25 0.986 -1.563 11.339 71 HH22 ARG 25 HH22 ARG 25 0.957 -1.487 13.081 72 H ASN 26 H ASN 26 -5.040 2.916 9.977 73 HA ASN 26 HA ASN 26 -4.642 5.834 9.750 74 HB2 ASN 26 HB2 ASN 26 -7.119 4.259 10.466 75 HB3 ASN 26 HB3 ASN 26 -6.943 5.958 10.885 76 HD21 ASN 26 HD21 ASN 26 -5.698 4.549 7.928 77 HD22 ASN 26 HD22 ASN 26 -6.793 5.359 6.867 78 H GLY 27 H GLY 27 -2.925 5.812 11.239 79 HA2 GLY 27 HA2 GLY 27 -2.151 6.178 13.421 80 HA3 GLY 27 HA3 GLY 27 -3.739 5.729 14.038 81 H ASP 28 H ASP 28 -4.231 3.555 14.365 82 HA ASP 28 HA ASP 28 -1.994 1.712 13.976 83 HB2 ASP 28 HB2 ASP 28 -2.218 2.201 16.420 84 HB3 ASP 28 HB3 ASP 28 -3.856 1.556 16.355 85 H ASP 29 H ASP 29 -5.450 2.245 14.246 86 HA ASP 29 HA ASP 29 -6.445 -0.121 13.493 87 HB2 ASP 29 HB2 ASP 29 -7.428 2.549 12.463 88 HB3 ASP 29 HB3 ASP 29 -8.374 1.068 12.565 89 H ARG 30 H ARG 30 -6.583 -1.361 11.745 90 HA ARG 30 HA ARG 30 -5.596 -0.310 9.187 91 HB2 ARG 30 HB2 ARG 30 -5.106 -3.122 10.210 92 HB3 ARG 30 HB3 ARG 30 -4.542 -2.446 8.687 93 HG2 ARG 30 HG2 ARG 30 -2.960 -1.093 9.731 94 HG3 ARG 30 HG3 ARG 30 -3.751 -1.234 11.300 95 HD2 ARG 30 HD2 ARG 30 -1.835 -2.587 11.454 96 HD3 ARG 30 HD3 ARG 30 -3.171 -3.707 11.199 97 HE ARG 30 HE ARG 30 -1.253 -2.877 9.103 98 HH11 ARG 30 HH11 ARG 30 -3.453 -5.254 10.472 99 HH12 ARG 30 HH12 ARG 30 -2.985 -6.494 9.354 100 HH21 ARG 30 HH21 ARG 30 -0.627 -4.509 7.693 101 HH22 ARG 30 HH22 ARG 30 -1.388 -6.085 7.772 102 H THR 31 H THR 31 -7.246 -0.471 7.721 103 HA THR 31 HA THR 31 -9.234 -2.542 8.084 104 HB THR 31 HB THR 31 -10.104 -0.763 9.529 105 HG1 THR 31 HG1 THR 31 -12.136 -0.419 8.183 106 HG21 THR 31 HG21 THR 31 -9.105 1.182 8.489 107 HG22 THR 31 HG22 THR 31 -10.858 1.374 8.534 108 HG23 THR 31 HG23 THR 31 -10.058 0.926 7.027 109 H VAL 32 H VAL 32 -10.973 -2.320 6.320 110 HA VAL 32 HA VAL 32 -9.531 -2.091 3.785 111 HB VAL 32 HB VAL 32 -12.297 -3.167 4.389 112 HG11 VAL 32 HG11 VAL 32 -12.338 -3.910 2.048 113 HG12 VAL 32 HG12 VAL 32 -10.795 -3.106 1.769 114 HG13 VAL 32 HG13 VAL 32 -12.221 -2.154 2.167 115 HG21 VAL 32 HG21 VAL 32 -11.321 -5.337 3.734 116 HG22 VAL 32 HG22 VAL 32 -10.575 -4.660 5.184 117 HG23 VAL 32 HG23 VAL 32 -9.737 -4.567 3.633 118 H THR 33 H THR 33 -9.575 -0.117 2.891 119 HA THR 33 HA THR 33 -12.091 1.374 3.030 120 HB THR 33 HB THR 33 -10.683 3.278 2.141 121 HG1 THR 33 HG1 THR 33 -8.880 2.215 1.352 122 HG21 THR 33 HG21 THR 33 -11.299 3.115 4.500 123 HG22 THR 33 HG22 THR 33 -9.672 3.772 4.321 124 HG23 THR 33 HG23 THR 33 -9.896 2.091 4.805 125 H THR 34 H THR 34 -13.060 2.168 1.176 126 HA THR 34 HA THR 34 -12.409 0.700 -1.269 127 HB THR 34 HB THR 34 -14.734 0.522 -0.761 128 HG1 THR 34 HG1 THR 34 -14.586 2.634 -2.660 129 HG21 THR 34 HG21 THR 34 -14.841 2.404 0.837 130 HG22 THR 34 HG22 THR 34 -16.186 2.404 -0.303 131 HG23 THR 34 HG23 THR 34 -14.846 3.528 -0.521 132 H CYS 35 H CYS 35 -10.889 1.742 -2.396 133 HA CYS 35 HA CYS 35 -10.838 4.645 -2.229 134 HB2 CYS 35 HB2 CYS 35 -8.643 2.852 -3.279 135 HB3 CYS 35 HB3 CYS 35 -8.515 4.495 -2.678 136 H ALA 36 H ALA 36 -9.944 5.808 -4.259 137 HA ALA 36 HA ALA 36 -12.210 5.529 -6.020 138 HB1 ALA 36 HB1 ALA 36 -9.966 7.536 -6.011 139 HB2 ALA 36 HB2 ALA 36 -11.532 7.723 -5.217 140 HB3 ALA 36 HB3 ALA 36 -11.438 7.635 -6.978 141 H GLU 37 H GLU 37 -11.923 5.783 -8.382 142 HA GLU 37 HA GLU 37 -10.657 3.786 -9.644 143 HB2 GLU 37 HB2 GLU 37 -11.150 6.545 -10.777 144 HB3 GLU 37 HB3 GLU 37 -10.898 5.088 -11.719 145 HG2 GLU 37 HG2 GLU 37 -13.182 5.535 -9.818 146 HG3 GLU 37 HG3 GLU 37 -13.259 5.733 -11.568 147 H GLU 38 H GLU 38 -9.312 6.965 -8.986 148 HA GLU 38 HA GLU 38 -6.941 6.817 -10.431 149 HB2 GLU 38 HB2 GLU 38 -6.089 8.409 -8.639 150 HB3 GLU 38 HB3 GLU 38 -7.529 8.908 -9.524 151 HG2 GLU 38 HG2 GLU 38 -8.941 8.335 -7.757 152 HG3 GLU 38 HG3 GLU 38 -7.671 7.447 -6.929 153 H GLN 39 H GLN 39 -7.856 5.355 -7.406 154 HA GLN 39 HA GLN 39 -5.050 4.743 -6.820 155 HB2 GLN 39 HB2 GLN 39 -7.438 4.854 -4.965 156 HB3 GLN 39 HB3 GLN 39 -5.840 4.279 -4.498 157 HG2 GLN 39 HG2 GLN 39 -4.886 6.415 -4.798 158 HG3 GLN 39 HG3 GLN 39 -6.328 7.021 -5.606 159 HE21 GLN 39 HE21 GLN 39 -6.496 8.693 -4.197 160 HE22 GLN 39 HE22 GLN 39 -7.024 8.501 -2.554 161 H THR 40 H THR 40 -5.863 3.214 -8.716 162 HA THR 40 HA THR 40 -7.103 0.831 -7.725 163 HB THR 40 HB THR 40 -6.174 0.078 -10.131 164 HG1 THR 40 HG1 THR 40 -6.631 2.750 -10.757 165 HG21 THR 40 HG21 THR 40 -8.491 1.969 -9.695 166 HG22 THR 40 HG22 THR 40 -8.534 0.215 -9.505 167 HG23 THR 40 HG23 THR 40 -8.268 0.924 -11.098 168 H ARG 41 H ARG 41 -4.683 1.600 -6.368 169 HA ARG 41 HA ARG 41 -3.138 -0.804 -6.764 170 HB2 ARG 41 HB2 ARG 41 -2.106 1.578 -7.747 171 HB3 ARG 41 HB3 ARG 41 -1.384 1.458 -6.155 172 HG2 ARG 41 HG2 ARG 41 0.059 0.495 -7.794 173 HG3 ARG 41 HG3 ARG 41 -0.548 -0.773 -6.731 174 HD2 ARG 41 HD2 ARG 41 -2.190 -1.410 -8.409 175 HD3 ARG 41 HD3 ARG 41 -1.643 -0.104 -9.461 176 HE ARG 41 HE ARG 41 0.459 -1.917 -8.721 177 HH11 ARG 41 HH11 ARG 41 -2.177 -1.349 -10.953 178 HH12 ARG 41 HH12 ARG 41 -1.515 -2.352 -12.202 179 HH21 ARG 41 HH21 ARG 41 1.352 -3.236 -10.371 180 HH22 ARG 41 HH22 ARG 41 0.508 -3.424 -11.872 181 H CYS 42 H CYS 42 -1.269 -0.481 -4.852 182 HA CYS 42 HA CYS 42 -2.560 0.367 -2.449 183 HB2 CYS 42 HB2 CYS 42 -1.949 -2.565 -2.882 184 HB3 CYS 42 HB3 CYS 42 -2.007 -1.846 -1.280 185 H LEU 43 H LEU 43 -1.039 1.108 -1.059 186 HA LEU 43 HA LEU 43 1.763 0.688 -1.843 187 HB2 LEU 43 HB2 LEU 43 0.566 3.005 -1.366 188 HB3 LEU 43 HB3 LEU 43 0.936 2.595 0.295 189 HG LEU 43 HG LEU 43 2.842 3.142 -1.954 190 HD11 LEU 43 HD11 LEU 43 2.443 4.366 0.748 191 HD12 LEU 43 HD12 LEU 43 2.097 5.091 -0.824 192 HD13 LEU 43 HD13 LEU 43 3.763 4.765 -0.351 193 HD21 LEU 43 HD21 LEU 43 4.687 2.569 -0.486 194 HD22 LEU 43 HD22 LEU 43 3.679 1.167 -0.846 195 HD23 LEU 43 HD23 LEU 43 3.543 1.975 0.718 196 H PHE 44 H PHE 44 2.652 -0.992 -0.811 197 HA PHE 44 HA PHE 44 2.285 -1.112 2.102 198 HB2 PHE 44 HB2 PHE 44 1.065 -2.963 1.114 199 HB3 PHE 44 HB3 PHE 44 2.473 -3.427 0.162 200 HD1 PHE 44 HD1 PHE 44 1.189 -3.136 3.622 201 HD2 PHE 44 HD2 PHE 44 4.104 -4.854 1.041 202 HE1 PHE 44 HE1 PHE 44 1.943 -4.599 5.452 203 HE2 PHE 44 HE2 PHE 44 4.864 -6.318 2.865 204 HZ PHE 44 HZ PHE 44 3.781 -6.197 5.071 205 H VAL 45 H VAL 45 4.108 -0.913 3.196 206 HA VAL 45 HA VAL 45 6.641 -1.616 1.896 207 HB VAL 45 HB VAL 45 6.230 0.901 3.536 208 HG11 VAL 45 HG11 VAL 45 8.425 -0.075 3.906 209 HG12 VAL 45 HG12 VAL 45 8.557 1.412 2.968 210 HG13 VAL 45 HG13 VAL 45 8.702 -0.152 2.166 211 HG21 VAL 45 HG21 VAL 45 5.292 1.139 1.290 212 HG22 VAL 45 HG22 VAL 45 6.815 0.591 0.590 213 HG23 VAL 45 HG23 VAL 45 6.751 2.114 1.473 214 H GLN 46 H GLN 46 8.179 -2.506 3.306 215 HA GLN 46 HA GLN 46 7.084 -3.485 5.831 216 HB2 GLN 46 HB2 GLN 46 9.771 -4.065 4.595 217 HB3 GLN 46 HB3 GLN 46 9.077 -4.864 5.992 218 HG2 GLN 46 HG2 GLN 46 8.013 -5.006 3.182 219 HG3 GLN 46 HG3 GLN 46 9.016 -6.205 3.975 220 HE21 GLN 46 HE21 GLN 46 6.491 -4.553 5.739 221 HE22 GLN 46 HE22 GLN 46 5.457 -5.924 5.891 222 H LEU 47 H LEU 47 7.931 -3.032 7.802 223 HA LEU 47 HA LEU 47 10.083 -1.108 7.995 224 HB2 LEU 47 HB2 LEU 47 7.363 -0.657 9.221 225 HB3 LEU 47 HB3 LEU 47 8.808 0.062 9.894 226 HG LEU 47 HG LEU 47 7.718 1.712 8.596 227 HD11 LEU 47 HD11 LEU 47 10.131 1.719 8.418 228 HD12 LEU 47 HD12 LEU 47 9.401 2.262 6.907 229 HD13 LEU 47 HD13 LEU 47 10.053 0.628 7.035 230 HD21 LEU 47 HD21 LEU 47 7.240 1.434 6.198 231 HD22 LEU 47 HD22 LEU 47 6.291 0.357 7.221 232 HD23 LEU 47 HD23 LEU 47 7.680 -0.269 6.332 233 HA PRO 48 HA PRO 48 10.936 -3.887 11.363 234 HB2 PRO 48 HB2 PRO 48 12.810 -2.500 12.706 235 HB3 PRO 48 HB3 PRO 48 13.118 -3.196 11.112 236 HG2 PRO 48 HG2 PRO 48 12.582 -0.374 11.876 237 HG3 PRO 48 HG3 PRO 48 13.618 -1.016 10.593 238 HD2 PRO 48 HD2 PRO 48 11.040 0.016 10.263 239 HD3 PRO 48 HD3 PRO 48 11.923 -0.969 9.084 240 H TYR 49 H TYR 49 8.706 -1.865 11.716 241 HA TYR 49 HA TYR 49 8.594 -1.896 14.586 242 HB2 TYR 49 HB2 TYR 49 8.153 0.737 13.150 243 HB3 TYR 49 HB3 TYR 49 7.965 0.445 14.873 244 HD1 TYR 49 HD1 TYR 49 10.071 -0.243 16.183 245 HD2 TYR 49 HD2 TYR 49 10.185 1.468 12.290 246 HE1 TYR 49 HE1 TYR 49 12.417 0.405 16.541 247 HE2 TYR 49 HE2 TYR 49 12.529 2.119 12.634 248 HH TYR 49 HH TYR 49 14.061 2.565 14.500 249 H SER 50 H SER 50 7.131 -0.958 11.539 250 HA SER 50 HA SER 50 4.695 -2.321 12.184 251 HB2 SER 50 HB2 SER 50 4.615 0.654 11.576 252 HB3 SER 50 HB3 SER 50 3.211 -0.400 11.739 253 HG SER 50 HG SER 50 4.679 -0.723 13.910 254 H GLU 51 H GLU 51 3.198 -1.216 9.956 255 HA GLU 51 HA GLU 51 5.114 -1.281 7.736 256 HB2 GLU 51 HB2 GLU 51 2.989 -2.562 6.645 257 HB3 GLU 51 HB3 GLU 51 4.366 -3.378 7.366 258 HG2 GLU 51 HG2 GLU 51 2.292 -4.366 8.117 259 HG3 GLU 51 HG3 GLU 51 3.143 -3.612 9.461 260 H ILE 52 H ILE 52 4.301 -0.466 5.721 261 HA ILE 52 HA ILE 52 2.638 1.902 6.161 262 HB ILE 52 HB ILE 52 4.517 1.107 3.963 263 HG12 ILE 52 HG12 ILE 52 5.563 2.150 5.859 264 HG13 ILE 52 HG13 ILE 52 5.521 3.301 4.537 265 HG21 ILE 52 HG21 ILE 52 2.580 3.412 3.915 266 HG22 ILE 52 HG22 ILE 52 2.577 2.011 2.843 267 HG23 ILE 52 HG23 ILE 52 3.906 3.169 2.777 268 HD11 ILE 52 HD11 ILE 52 5.002 4.351 6.664 269 HD12 ILE 52 HD12 ILE 52 3.625 3.266 6.861 270 HD13 ILE 52 HD13 ILE 52 3.642 4.441 5.545 271 H GLN 53 H GLN 53 0.654 2.097 5.261 272 HA GLN 53 HA GLN 53 -0.207 0.261 3.254 273 HB2 GLN 53 HB2 GLN 53 -1.637 0.288 5.918 274 HB3 GLN 53 HB3 GLN 53 -2.311 -0.385 4.442 275 HG2 GLN 53 HG2 GLN 53 -0.338 -1.927 4.362 276 HG3 GLN 53 HG3 GLN 53 0.085 -1.348 5.973 277 HE21 GLN 53 HE21 GLN 53 -0.688 -4.008 5.048 278 HE22 GLN 53 HE22 GLN 53 -2.057 -4.461 5.999 279 H GLU 54 H GLU 54 -1.299 1.423 1.844 280 HA GLU 54 HA GLU 54 -3.363 3.297 2.509 281 HB2 GLU 54 HB2 GLU 54 -1.945 5.136 1.213 282 HB3 GLU 54 HB3 GLU 54 -1.852 4.980 2.953 283 HG2 GLU 54 HG2 GLU 54 0.098 3.273 2.195 284 HG3 GLU 54 HG3 GLU 54 0.180 4.466 0.890 285 H CYS 55 H CYS 55 -4.717 3.536 0.731 286 HA CYS 55 HA CYS 55 -3.973 2.529 -1.784 287 HB2 CYS 55 HB2 CYS 55 -6.217 4.421 -1.022 288 HB3 CYS 55 HB3 CYS 55 -6.021 3.759 -2.632 289 H LYS 56 H LYS 56 -2.804 3.395 -3.317 290 HA LYS 56 HA LYS 56 -2.574 6.290 -3.481 291 HB2 LYS 56 HB2 LYS 56 -0.329 4.411 -3.090 292 HB3 LYS 56 HB3 LYS 56 -0.130 5.494 -4.457 293 HG2 LYS 56 HG2 LYS 56 0.887 6.284 -2.319 294 HG3 LYS 56 HG3 LYS 56 -0.243 7.413 -3.066 295 HD2 LYS 56 HD2 LYS 56 -1.899 6.985 -1.476 296 HD3 LYS 56 HD3 LYS 56 -1.137 5.485 -0.956 297 HE2 LYS 56 HE2 LYS 56 0.650 6.705 0.095 298 HE3 LYS 56 HE3 LYS 56 0.048 8.217 -0.547 299 HZ1 LYS 56 HZ1 LYS 56 -0.469 7.478 1.880 300 HZ2 LYS 56 HZ2 LYS 56 -1.727 6.625 1.132 301 HZ3 LYS 56 HZ3 LYS 56 -1.633 8.303 0.961 302 H THR 57 H THR 57 -1.888 6.866 -5.764 303 HA THR 57 HA THR 57 -3.582 5.309 -7.513 304 HB THR 57 HB THR 57 -3.253 6.944 -9.154 305 HG1 THR 57 HG1 THR 57 -1.512 8.672 -8.151 306 HG21 THR 57 HG21 THR 57 -3.736 9.066 -8.018 307 HG22 THR 57 HG22 THR 57 -3.213 8.361 -6.490 308 HG23 THR 57 HG23 THR 57 -4.640 7.729 -7.310 309 H VAL 58 H VAL 58 -2.815 4.190 -9.363 310 HA VAL 58 HA VAL 58 -0.722 2.533 -8.977 311 HB VAL 58 HB VAL 58 -1.653 3.466 -11.709 312 HG11 VAL 58 HG11 VAL 58 -0.873 1.302 -12.510 313 HG12 VAL 58 HG12 VAL 58 -0.293 0.898 -10.896 314 HG13 VAL 58 HG13 VAL 58 0.454 2.217 -11.796 315 HG21 VAL 58 HG21 VAL 58 -3.172 1.544 -11.615 316 HG22 VAL 58 HG22 VAL 58 -3.509 2.706 -10.332 317 HG23 VAL 58 HG23 VAL 58 -2.643 1.214 -9.965 318 H GLN 59 H GLN 59 -0.557 5.651 -10.688 319 HA GLN 59 HA GLN 59 2.135 5.344 -11.621 320 HB2 GLN 59 HB2 GLN 59 0.874 6.982 -12.772 321 HB3 GLN 59 HB3 GLN 59 0.320 7.723 -11.274 322 HG2 GLN 59 HG2 GLN 59 2.825 8.204 -10.857 323 HG3 GLN 59 HG3 GLN 59 3.000 7.908 -12.586 324 HE21 GLN 59 HE21 GLN 59 3.332 10.314 -10.891 325 HE22 GLN 59 HE22 GLN 59 2.346 11.523 -11.648 326 H GLN 60 H GLN 60 0.696 7.340 -9.057 327 HA GLN 60 HA GLN 60 3.087 8.244 -8.053 328 HB2 GLN 60 HB2 GLN 60 0.844 9.206 -7.553 329 HB3 GLN 60 HB3 GLN 60 0.525 7.847 -6.486 330 HG2 GLN 60 HG2 GLN 60 2.468 8.523 -5.116 331 HG3 GLN 60 HG3 GLN 60 2.653 9.944 -6.143 332 HE21 GLN 60 HE21 GLN 60 2.277 11.385 -4.500 333 HE22 GLN 60 HE22 GLN 60 0.720 11.604 -3.784 334 H CYS 61 H CYS 61 1.256 5.377 -7.115 335 HA CYS 61 HA CYS 61 2.921 4.773 -4.850 336 HB2 CYS 61 HB2 CYS 61 0.530 3.862 -5.418 337 HB3 CYS 61 HB3 CYS 61 1.393 2.690 -6.406 338 H ALA 62 H ALA 62 3.147 4.307 -8.304 339 HA ALA 62 HA ALA 62 5.136 2.206 -8.164 340 HB1 ALA 62 HB1 ALA 62 3.753 2.370 -10.152 341 HB2 ALA 62 HB2 ALA 62 5.447 2.642 -10.560 342 HB3 ALA 62 HB3 ALA 62 4.337 4.009 -10.445 343 H GLU 63 H GLU 63 5.101 5.731 -8.722 344 HA GLU 63 HA GLU 63 7.864 5.952 -8.901 345 HB2 GLU 63 HB2 GLU 63 7.532 8.315 -8.860 346 HB3 GLU 63 HB3 GLU 63 6.209 7.587 -9.751 347 HG2 GLU 63 HG2 GLU 63 4.814 7.756 -7.743 348 HG3 GLU 63 HG3 GLU 63 6.142 8.601 -6.959 349 H VAL 64 H VAL 64 5.795 6.586 -6.028 350 HA VAL 64 HA VAL 64 7.835 6.839 -4.279 351 HB VAL 64 HB VAL 64 6.186 6.501 -2.623 352 HG11 VAL 64 HG11 VAL 64 4.895 7.765 -4.982 353 HG12 VAL 64 HG12 VAL 64 5.992 8.556 -3.849 354 HG13 VAL 64 HG13 VAL 64 4.416 7.993 -3.299 355 HG21 VAL 64 HG21 VAL 64 5.218 4.485 -3.114 356 HG22 VAL 64 HG22 VAL 64 4.684 5.065 -4.687 357 HG23 VAL 64 HG23 VAL 64 3.912 5.672 -3.216 358 H LEU 65 H LEU 65 6.314 3.916 -5.498 359 HA LEU 65 HA LEU 65 7.365 1.997 -3.924 360 HB2 LEU 65 HB2 LEU 65 5.964 1.680 -6.003 361 HB3 LEU 65 HB3 LEU 65 7.431 1.859 -6.945 362 HG LEU 65 HG LEU 65 8.346 -0.142 -5.713 363 HD11 LEU 65 HD11 LEU 65 6.855 -0.041 -3.791 364 HD12 LEU 65 HD12 LEU 65 6.728 -1.596 -4.613 365 HD13 LEU 65 HD13 LEU 65 5.475 -0.376 -4.836 366 HD21 LEU 65 HD21 LEU 65 7.463 -0.295 -7.985 367 HD22 LEU 65 HD22 LEU 65 5.837 -0.530 -7.342 368 HD23 LEU 65 HD23 LEU 65 7.083 -1.745 -7.056 369 H GLU 66 H GLU 66 8.990 3.555 -6.657 370 HA GLU 66 HA GLU 66 11.396 2.163 -6.244 371 HB2 GLU 66 HB2 GLU 66 10.699 3.061 -8.437 372 HB3 GLU 66 HB3 GLU 66 10.932 4.692 -7.825 373 HG2 GLU 66 HG2 GLU 66 13.308 4.259 -7.537 374 HG3 GLU 66 HG3 GLU 66 13.085 2.609 -8.115 375 H GLU 67 H GLU 67 10.308 5.284 -5.061 376 HA GLU 67 HA GLU 67 12.849 6.347 -4.474 377 HB2 GLU 67 HB2 GLU 67 11.659 7.867 -3.001 378 HB3 GLU 67 HB3 GLU 67 10.779 7.676 -4.518 379 HG2 GLU 67 HG2 GLU 67 9.310 6.141 -3.556 380 HG3 GLU 67 HG3 GLU 67 10.215 6.134 -2.057 381 H VAL 68 H VAL 68 10.523 4.560 -2.434 382 HA VAL 68 HA VAL 68 12.375 4.291 -0.339 383 HB VAL 68 HB VAL 68 10.772 2.729 0.689 384 HG11 VAL 68 HG11 VAL 68 9.483 5.162 -0.540 385 HG12 VAL 68 HG12 VAL 68 10.466 5.140 0.923 386 HG13 VAL 68 HG13 VAL 68 8.916 4.298 0.889 387 HG21 VAL 68 HG21 VAL 68 8.664 2.207 -0.426 388 HG22 VAL 68 HG22 VAL 68 10.036 1.557 -1.324 389 HG23 VAL 68 HG23 VAL 68 9.228 3.021 -1.886 390 H THR 69 H THR 69 11.837 2.242 -3.141 391 HA THR 69 HA THR 69 12.920 -0.111 -1.900 392 HB THR 69 HB THR 69 13.063 -0.933 -4.301 393 HG1 THR 69 HG1 THR 69 11.212 1.090 -4.890 394 HG21 THR 69 HG21 THR 69 10.369 -0.177 -3.183 395 HG22 THR 69 HG22 THR 69 11.305 -1.602 -2.733 396 HG23 THR 69 HG23 THR 69 10.678 -1.441 -4.374 397 H ALA 70 H ALA 70 14.092 2.525 -3.919 398 HA ALA 70 HA ALA 70 16.657 1.577 -4.306 399 HB1 ALA 70 HB1 ALA 70 15.698 3.544 -5.441 400 HB2 ALA 70 HB2 ALA 70 17.295 3.870 -4.766 401 HB3 ALA 70 HB3 ALA 70 15.850 4.463 -3.944 402 H ILE 71 H ILE 71 15.198 2.760 -1.441 403 HA ILE 71 HA ILE 71 17.715 3.260 -0.079 404 HB ILE 71 HB ILE 71 15.011 3.082 1.242 405 HG12 ILE 71 HG12 ILE 71 16.206 5.533 -0.069 406 HG13 ILE 71 HG13 ILE 71 14.862 4.605 -0.720 407 HG21 ILE 71 HG21 ILE 71 17.524 4.624 1.883 408 HG22 ILE 71 HG22 ILE 71 16.926 3.194 2.725 409 HG23 ILE 71 HG23 ILE 71 16.020 4.705 2.799 410 HD11 ILE 71 HD11 ILE 71 14.878 6.111 1.884 411 HD12 ILE 71 HD12 ILE 71 13.533 5.161 1.254 412 HD13 ILE 71 HD13 ILE 71 14.074 6.602 0.393 413 H GLY 72 H GLY 72 15.776 0.602 -0.812 414 HA2 GLY 72 HA2 GLY 72 16.443 -1.566 -0.215 415 HA3 GLY 72 HA3 GLY 72 17.003 -0.951 1.331 416 H TYR 73 H TYR 73 13.999 0.355 0.749 417 HA TYR 73 HA TYR 73 12.854 -1.333 2.814 418 HB2 TYR 73 HB2 TYR 73 11.899 1.166 1.424 419 HB3 TYR 73 HB3 TYR 73 10.910 0.267 2.559 420 HD1 TYR 73 HD1 TYR 73 11.727 0.016 4.942 421 HD2 TYR 73 HD2 TYR 73 13.501 2.719 2.177 422 HE1 TYR 73 HE1 TYR 73 12.727 1.264 6.811 423 HE2 TYR 73 HE2 TYR 73 14.506 3.973 4.038 424 HH TYR 73 HH TYR 73 14.100 4.339 6.444 425 HA PRO 74 HA PRO 74 10.851 -3.978 -0.237 426 HB2 PRO 74 HB2 PRO 74 9.345 -4.720 2.219 427 HB3 PRO 74 HB3 PRO 74 10.157 -5.759 1.056 428 HG2 PRO 74 HG2 PRO 74 11.260 -5.378 3.405 429 HG3 PRO 74 HG3 PRO 74 12.269 -5.316 1.943 430 HD2 PRO 74 HD2 PRO 74 11.136 -3.038 3.543 431 HD3 PRO 74 HD3 PRO 74 12.780 -3.270 2.922 432 H ALA 75 H ALA 75 9.422 -2.950 -1.499 433 HA ALA 75 HA ALA 75 6.865 -2.162 -0.280 434 HB1 ALA 75 HB1 ALA 75 8.253 -0.181 -0.705 435 HB2 ALA 75 HB2 ALA 75 6.796 -0.195 -1.697 436 HB3 ALA 75 HB3 ALA 75 8.352 -0.626 -2.409 437 H LYS 76 H LYS 76 5.030 -2.469 -1.519 438 HA LYS 76 HA LYS 76 5.305 -3.464 -4.259 439 HB2 LYS 76 HB2 LYS 76 3.489 -5.228 -3.468 440 HB3 LYS 76 HB3 LYS 76 5.204 -5.568 -3.373 441 HG2 LYS 76 HG2 LYS 76 5.255 -5.135 -1.042 442 HG3 LYS 76 HG3 LYS 76 3.638 -4.431 -1.076 443 HD2 LYS 76 HD2 LYS 76 4.223 -7.308 -1.755 444 HD3 LYS 76 HD3 LYS 76 3.767 -6.758 -0.142 445 HE2 LYS 76 HE2 LYS 76 1.678 -5.844 -1.065 446 HE3 LYS 76 HE3 LYS 76 2.131 -6.449 -2.658 447 HZ1 LYS 76 HZ1 LYS 76 1.803 -8.186 -0.274 448 HZ2 LYS 76 HZ2 LYS 76 1.980 -8.674 -1.887 449 HZ3 LYS 76 HZ3 LYS 76 0.564 -7.887 -1.393 450 H CYS 77 H CYS 77 4.084 -1.826 -5.217 451 HA CYS 77 HA CYS 77 1.368 -1.564 -4.275 452 HB2 CYS 77 HB2 CYS 77 2.579 -0.241 -6.710 453 HB3 CYS 77 HB3 CYS 77 1.135 0.227 -5.833 454 H CYS 78 H CYS 78 0.646 -3.712 -4.747 455 HA CYS 78 HA CYS 78 0.299 -4.295 -7.553 456 HB2 CYS 78 HB2 CYS 78 -0.615 -6.475 -6.594 457 HB3 CYS 78 HB3 CYS 78 1.078 -6.115 -6.265 458 H CYS 79 H CYS 79 -1.897 -5.342 -8.184 459 HA CYS 79 HA CYS 79 -3.943 -3.433 -7.306 460 HB2 CYS 79 HB2 CYS 79 -4.880 -3.627 -9.651 461 HB3 CYS 79 HB3 CYS 79 -3.365 -2.741 -9.509 462 HG CYS 79 HG CYS 79 -3.657 -5.984 -10.566 463 H GLU 80 H GLU 80 -5.015 -4.687 -5.949 464 HA GLU 80 HA GLU 80 -6.939 -6.529 -6.850 465 HB2 GLU 80 HB2 GLU 80 -4.969 -8.031 -7.051 466 HB3 GLU 80 HB3 GLU 80 -4.580 -7.737 -5.366 467 HG2 GLU 80 HG2 GLU 80 -7.178 -8.605 -5.238 468 HG3 GLU 80 HG3 GLU 80 -6.506 -9.564 -6.557 469 H ASP 81 H ASP 81 -8.162 -7.365 -4.822 470 HA ASP 81 HA ASP 81 -8.321 -5.074 -3.055 471 HB2 ASP 81 HB2 ASP 81 -9.873 -7.669 -3.051 472 HB3 ASP 81 HB3 ASP 81 -10.060 -6.407 -1.842 473 H LEU 82 H LEU 82 -7.440 -4.937 -1.157 474 HA LEU 82 HA LEU 82 -6.337 -5.432 0.760 475 HB2 LEU 82 HB2 LEU 82 -7.107 -8.319 0.361 476 HB3 LEU 82 HB3 LEU 82 -6.790 -7.492 1.865 477 HG LEU 82 HG LEU 82 -9.032 -7.576 2.026 478 HD11 LEU 82 HD11 LEU 82 -8.809 -5.217 0.211 479 HD12 LEU 82 HD12 LEU 82 -8.654 -5.222 1.968 480 HD13 LEU 82 HD13 LEU 82 -10.205 -5.601 1.218 481 HD21 LEU 82 HD21 LEU 82 -10.595 -7.634 0.097 482 HD22 LEU 82 HD22 LEU 82 -9.475 -8.989 0.234 483 HD23 LEU 82 HD23 LEU 82 -9.169 -7.712 -0.940 484 H CYS 83 H CYS 83 -5.209 -6.112 -2.084 485 HA CYS 83 HA CYS 83 -3.451 -8.162 -1.956 486 HB2 CYS 83 HB2 CYS 83 -3.969 -6.813 -3.984 487 HB3 CYS 83 HB3 CYS 83 -2.891 -5.559 -3.390 488 H ASN 84 H ASN 84 -3.190 -5.410 -0.042 489 HA ASN 84 HA ASN 84 -0.350 -5.028 -0.060 490 HB2 ASN 84 HB2 ASN 84 -0.807 -3.744 2.074 491 HB3 ASN 84 HB3 ASN 84 -1.629 -3.145 0.640 492 HD21 ASN 84 HD21 ASN 84 -3.884 -3.468 0.448 493 HD22 ASN 84 HD22 ASN 84 -4.852 -3.835 1.836 494 H ARG 85 H ARG 85 -2.118 -5.814 2.914 495 HA ARG 85 HA ARG 85 -1.628 -7.245 4.588 496 HB2 ARG 85 HB2 ARG 85 -2.053 -9.645 3.942 497 HB3 ARG 85 HB3 ARG 85 -3.301 -8.496 3.495 498 HG2 ARG 85 HG2 ARG 85 -2.269 -8.446 1.195 499 HG3 ARG 85 HG3 ARG 85 -1.285 -9.818 1.705 500 HD2 ARG 85 HD2 ARG 85 -3.249 -11.156 2.089 501 HD3 ARG 85 HD3 ARG 85 -4.299 -9.771 1.786 502 HE ARG 85 HE ARG 85 -2.541 -10.842 -0.320 503 HH11 ARG 85 HH11 ARG 85 -5.748 -9.993 0.812 504 HH12 ARG 85 HH12 ARG 85 -6.470 -10.116 -0.762 505 HH21 ARG 85 HH21 ARG 85 -3.506 -11.010 -2.387 506 HH22 ARG 85 HH22 ARG 85 -5.204 -10.689 -2.583 507 H SER 86 H SER 86 -0.352 -10.023 3.652 508 HA SER 86 HA SER 86 1.688 -10.944 3.153 509 HB2 SER 86 HB2 SER 86 2.875 -8.168 3.056 510 HB3 SER 86 HB3 SER 86 3.584 -9.664 2.447 511 HG SER 86 HG SER 86 1.276 -8.325 1.479 512 H GLU 87 H GLU 87 0.558 -9.673 5.799 513 HA GLU 87 HA GLU 87 2.767 -9.376 7.449 514 HB2 GLU 87 HB2 GLU 87 0.057 -10.459 8.251 515 HB3 GLU 87 HB3 GLU 87 1.248 -9.747 9.329 516 HG2 GLU 87 HG2 GLU 87 -0.051 -7.930 9.056 517 HG3 GLU 87 HG3 GLU 87 0.961 -7.713 7.628 518 H GLN 88 H GLN 88 1.166 -12.244 6.335 519 HA GLN 88 HA GLN 88 1.687 -14.443 6.402 520 HB2 GLN 88 HB2 GLN 88 4.419 -13.395 7.157 521 HB3 GLN 88 HB3 GLN 88 4.065 -15.055 6.703 522 HG2 GLN 88 HG2 GLN 88 3.428 -14.373 4.489 523 HG3 GLN 88 HG3 GLN 88 3.598 -12.673 4.927 524 HE21 GLN 88 HE21 GLN 88 5.640 -11.785 5.123 525 HE22 GLN 88 HE22 GLN 88 7.054 -12.578 4.522 Start of MODEL 4 1 H MET 18 H MET 18 -12.668 1.438 -11.548 2 HA MET 18 HA MET 18 -14.104 -0.103 -10.487 3 HB2 MET 18 HB2 MET 18 -11.692 -1.936 -10.427 4 HB3 MET 18 HB3 MET 18 -13.234 -2.256 -9.644 5 HG2 MET 18 HG2 MET 18 -14.334 -2.277 -11.828 6 HG3 MET 18 HG3 MET 18 -12.780 -1.978 -12.604 7 HE1 MET 18 HE1 MET 18 -10.825 -5.279 -11.694 8 HE2 MET 18 HE2 MET 18 -10.849 -3.780 -10.765 9 HE3 MET 18 HE3 MET 18 -10.735 -3.726 -12.524 10 H ALA 19 H ALA 19 -14.371 0.448 -8.374 11 HA ALA 19 HA ALA 19 -12.410 1.784 -6.963 12 HB1 ALA 19 HB1 ALA 19 -13.953 1.733 -5.076 13 HB2 ALA 19 HB2 ALA 19 -14.888 0.459 -5.861 14 HB3 ALA 19 HB3 ALA 19 -14.812 2.069 -6.580 15 H LEU 20 H LEU 20 -10.743 1.115 -5.693 16 HA LEU 20 HA LEU 20 -10.468 -1.793 -5.370 17 HB2 LEU 20 HB2 LEU 20 -8.531 0.381 -5.894 18 HB3 LEU 20 HB3 LEU 20 -8.016 -0.815 -4.730 19 HG LEU 20 HG LEU 20 -7.175 -1.401 -6.909 20 HD11 LEU 20 HD11 LEU 20 -7.793 -3.241 -5.459 21 HD12 LEU 20 HD12 LEU 20 -8.107 -3.654 -7.144 22 HD13 LEU 20 HD13 LEU 20 -9.442 -3.205 -6.082 23 HD21 LEU 20 HD21 LEU 20 -8.646 -1.902 -8.781 24 HD22 LEU 20 HD22 LEU 20 -8.836 -0.226 -8.264 25 HD23 LEU 20 HD23 LEU 20 -10.048 -1.428 -7.822 26 H LYS 21 H LYS 21 -10.366 -2.581 -3.256 27 HA LYS 21 HA LYS 21 -10.237 -0.551 -1.177 28 HB2 LYS 21 HB2 LYS 21 -11.279 -3.385 -1.177 29 HB3 LYS 21 HB3 LYS 21 -11.348 -2.281 0.196 30 HG2 LYS 21 HG2 LYS 21 -12.853 -0.848 -0.892 31 HG3 LYS 21 HG3 LYS 21 -12.552 -1.593 -2.462 32 HD2 LYS 21 HD2 LYS 21 -13.836 -2.978 -0.126 33 HD3 LYS 21 HD3 LYS 21 -14.718 -2.226 -1.457 34 HE2 LYS 21 HE2 LYS 21 -12.817 -4.551 -1.605 35 HE3 LYS 21 HE3 LYS 21 -14.560 -4.583 -1.862 36 HZ1 LYS 21 HZ1 LYS 21 -14.303 -3.314 -3.858 37 HZ2 LYS 21 HZ2 LYS 21 -13.218 -4.621 -3.931 38 HZ3 LYS 21 HZ3 LYS 21 -12.654 -3.071 -3.564 39 H CYS 22 H CYS 22 -8.239 -0.251 -0.509 40 HA CYS 22 HA CYS 22 -6.553 -2.609 -0.002 41 HB2 CYS 22 HB2 CYS 22 -5.497 0.197 -0.312 42 HB3 CYS 22 HB3 CYS 22 -4.624 -1.324 -0.454 43 H PHE 23 H PHE 23 -5.210 -2.426 1.965 44 HA PHE 23 HA PHE 23 -6.844 -1.400 4.138 45 HB2 PHE 23 HB2 PHE 23 -4.380 -3.109 3.992 46 HB3 PHE 23 HB3 PHE 23 -4.846 -2.345 5.507 47 HD1 PHE 23 HD1 PHE 23 -6.193 -4.539 2.817 48 HD2 PHE 23 HD2 PHE 23 -6.336 -3.394 6.912 49 HE1 PHE 23 HE1 PHE 23 -7.746 -6.388 3.277 50 HE2 PHE 23 HE2 PHE 23 -7.889 -5.240 7.381 51 HZ PHE 23 HZ PHE 23 -8.599 -6.742 5.560 52 H THR 24 H THR 24 -6.194 0.189 5.563 53 HA THR 24 HA THR 24 -3.652 1.582 5.033 54 HB THR 24 HB THR 24 -6.314 2.907 5.614 55 HG1 THR 24 HG1 THR 24 -5.368 1.915 3.320 56 HG21 THR 24 HG21 THR 24 -5.145 4.975 4.999 57 HG22 THR 24 HG22 THR 24 -3.651 4.066 4.777 58 HG23 THR 24 HG23 THR 24 -4.376 4.194 6.380 59 H ARG 25 H ARG 25 -2.574 2.264 6.920 60 HA ARG 25 HA ARG 25 -3.753 1.159 9.370 61 HB2 ARG 25 HB2 ARG 25 -0.872 1.673 8.682 62 HB3 ARG 25 HB3 ARG 25 -1.427 1.356 10.321 63 HG2 ARG 25 HG2 ARG 25 -2.424 -0.781 9.446 64 HG3 ARG 25 HG3 ARG 25 -1.547 -0.474 7.946 65 HD2 ARG 25 HD2 ARG 25 -0.195 -1.919 9.230 66 HD3 ARG 25 HD3 ARG 25 0.541 -0.323 9.328 67 HE ARG 25 HE ARG 25 -1.135 -0.543 11.520 68 HH11 ARG 25 HH11 ARG 25 1.658 -2.284 10.303 69 HH12 ARG 25 HH12 ARG 25 2.235 -2.703 11.879 70 HH21 ARG 25 HH21 ARG 25 -0.381 -1.129 13.596 71 HH22 ARG 25 HH22 ARG 25 1.079 -2.042 13.754 72 H ASN 26 H ASN 26 -4.699 2.614 10.575 73 HA ASN 26 HA ASN 26 -3.770 5.403 10.453 74 HB2 ASN 26 HB2 ASN 26 -6.053 5.755 11.720 75 HB3 ASN 26 HB3 ASN 26 -6.024 5.593 9.968 76 HD21 ASN 26 HD21 ASN 26 -6.723 3.964 12.978 77 HD22 ASN 26 HD22 ASN 26 -7.700 2.703 12.303 78 H GLY 27 H GLY 27 -2.010 4.816 11.821 79 HA2 GLY 27 HA2 GLY 27 -1.242 5.329 14.065 80 HA3 GLY 27 HA3 GLY 27 -2.797 4.756 14.659 81 H ASP 28 H ASP 28 -3.273 2.474 14.469 82 HA ASP 28 HA ASP 28 -0.894 0.821 14.126 83 HB2 ASP 28 HB2 ASP 28 -1.115 1.010 16.550 84 HB3 ASP 28 HB3 ASP 28 -2.799 0.499 16.453 85 H ASP 29 H ASP 29 -4.430 0.825 14.566 86 HA ASP 29 HA ASP 29 -4.764 -1.793 13.451 87 HB2 ASP 29 HB2 ASP 29 -7.149 -1.305 13.491 88 HB3 ASP 29 HB3 ASP 29 -6.414 -0.828 15.017 89 H ARG 30 H ARG 30 -6.371 -1.916 11.465 90 HA ARG 30 HA ARG 30 -5.303 -0.181 9.422 91 HB2 ARG 30 HB2 ARG 30 -4.803 -2.082 7.907 92 HB3 ARG 30 HB3 ARG 30 -3.746 -2.025 9.308 93 HG2 ARG 30 HG2 ARG 30 -5.294 -3.738 10.363 94 HG3 ARG 30 HG3 ARG 30 -6.004 -3.924 8.758 95 HD2 ARG 30 HD2 ARG 30 -4.370 -5.613 8.932 96 HD3 ARG 30 HD3 ARG 30 -3.655 -4.358 7.920 97 HE ARG 30 HE ARG 30 -3.054 -4.313 10.778 98 HH11 ARG 30 HH11 ARG 30 -1.988 -4.977 7.518 99 HH12 ARG 30 HH12 ARG 30 -0.298 -5.024 7.928 100 HH21 ARG 30 HH21 ARG 30 -0.830 -4.421 11.338 101 HH22 ARG 30 HH22 ARG 30 0.357 -4.721 10.096 102 H THR 31 H THR 31 -6.981 0.589 8.369 103 HA THR 31 HA THR 31 -9.523 -0.863 8.527 104 HB THR 31 HB THR 31 -10.474 1.348 7.693 105 HG1 THR 31 HG1 THR 31 -8.178 2.616 8.681 106 HG21 THR 31 HG21 THR 31 -9.047 1.319 10.356 107 HG22 THR 31 HG22 THR 31 -10.644 0.645 10.028 108 HG23 THR 31 HG23 THR 31 -10.381 2.386 9.915 109 H VAL 32 H VAL 32 -10.919 -0.772 6.585 110 HA VAL 32 HA VAL 32 -9.310 -1.188 4.156 111 HB VAL 32 HB VAL 32 -12.104 -2.213 4.716 112 HG11 VAL 32 HG11 VAL 32 -11.820 -3.478 2.636 113 HG12 VAL 32 HG12 VAL 32 -10.255 -2.704 2.384 114 HG13 VAL 32 HG13 VAL 32 -11.731 -1.738 2.361 115 HG21 VAL 32 HG21 VAL 32 -11.076 -4.447 4.732 116 HG22 VAL 32 HG22 VAL 32 -10.500 -3.433 6.055 117 HG23 VAL 32 HG23 VAL 32 -9.483 -3.698 4.638 118 H THR 33 H THR 33 -9.467 0.477 2.762 119 HA THR 33 HA THR 33 -11.912 2.094 2.890 120 HB THR 33 HB THR 33 -10.618 3.977 1.904 121 HG1 THR 33 HG1 THR 33 -8.239 2.786 2.835 122 HG21 THR 33 HG21 THR 33 -9.684 3.018 4.612 123 HG22 THR 33 HG22 THR 33 -11.140 3.958 4.284 124 HG23 THR 33 HG23 THR 33 -9.550 4.670 4.010 125 H THR 34 H THR 34 -12.688 2.831 0.859 126 HA THR 34 HA THR 34 -11.860 1.080 -1.338 127 HB THR 34 HB THR 34 -14.106 0.519 -0.898 128 HG1 THR 34 HG1 THR 34 -13.931 2.396 -3.022 129 HG21 THR 34 HG21 THR 34 -14.561 2.470 0.573 130 HG22 THR 34 HG22 THR 34 -15.891 2.062 -0.515 131 HG23 THR 34 HG23 THR 34 -14.847 3.440 -0.875 132 H CYS 35 H CYS 35 -10.718 2.110 -2.798 133 HA CYS 35 HA CYS 35 -10.784 5.038 -2.804 134 HB2 CYS 35 HB2 CYS 35 -8.582 4.640 -4.143 135 HB3 CYS 35 HB3 CYS 35 -8.603 4.405 -2.413 136 H ALA 36 H ALA 36 -10.238 5.983 -5.054 137 HA ALA 36 HA ALA 36 -12.563 5.250 -6.639 138 HB1 ALA 36 HB1 ALA 36 -12.112 7.338 -7.832 139 HB2 ALA 36 HB2 ALA 36 -10.622 7.546 -6.906 140 HB3 ALA 36 HB3 ALA 36 -12.186 7.598 -6.089 141 H GLU 37 H GLU 37 -12.264 5.335 -9.094 142 HA GLU 37 HA GLU 37 -10.650 3.567 -10.224 143 HB2 GLU 37 HB2 GLU 37 -11.261 6.234 -11.517 144 HB3 GLU 37 HB3 GLU 37 -10.928 4.722 -12.340 145 HG2 GLU 37 HG2 GLU 37 -13.313 5.251 -10.590 146 HG3 GLU 37 HG3 GLU 37 -13.305 5.298 -12.354 147 H GLU 38 H GLU 38 -9.800 6.834 -9.429 148 HA GLU 38 HA GLU 38 -7.333 7.210 -10.544 149 HB2 GLU 38 HB2 GLU 38 -8.566 8.886 -9.276 150 HB3 GLU 38 HB3 GLU 38 -8.338 7.970 -7.797 151 HG2 GLU 38 HG2 GLU 38 -5.896 8.339 -8.019 152 HG3 GLU 38 HG3 GLU 38 -6.230 9.388 -9.399 153 H GLN 39 H GLN 39 -8.117 5.302 -7.645 154 HA GLN 39 HA GLN 39 -5.251 4.731 -7.320 155 HB2 GLN 39 HB2 GLN 39 -7.284 4.030 -5.235 156 HB3 GLN 39 HB3 GLN 39 -5.552 4.227 -5.057 157 HG2 GLN 39 HG2 GLN 39 -7.480 6.473 -5.550 158 HG3 GLN 39 HG3 GLN 39 -6.900 5.953 -3.984 159 HE21 GLN 39 HE21 GLN 39 -6.676 8.489 -5.327 160 HE22 GLN 39 HE22 GLN 39 -4.982 8.842 -5.406 161 H THR 40 H THR 40 -5.468 3.162 -9.061 162 HA THR 40 HA THR 40 -7.004 0.826 -8.334 163 HB THR 40 HB THR 40 -5.787 0.200 -10.698 164 HG1 THR 40 HG1 THR 40 -6.384 2.895 -11.137 165 HG21 THR 40 HG21 THR 40 -7.858 0.938 -11.777 166 HG22 THR 40 HG22 THR 40 -8.265 1.897 -10.353 167 HG23 THR 40 HG23 THR 40 -8.197 0.137 -10.242 168 H ARG 41 H ARG 41 -4.496 1.596 -6.922 169 HA ARG 41 HA ARG 41 -3.220 -0.994 -7.121 170 HB2 ARG 41 HB2 ARG 41 -1.847 1.167 -8.116 171 HB3 ARG 41 HB3 ARG 41 -1.338 1.163 -6.446 172 HG2 ARG 41 HG2 ARG 41 0.209 -0.065 -7.767 173 HG3 ARG 41 HG3 ARG 41 -0.639 -1.165 -6.690 174 HD2 ARG 41 HD2 ARG 41 -2.039 -1.927 -8.493 175 HD3 ARG 41 HD3 ARG 41 -1.349 -0.723 -9.583 176 HE ARG 41 HE ARG 41 0.615 -2.485 -8.448 177 HH11 ARG 41 HH11 ARG 41 -1.718 -2.112 -11.028 178 HH12 ARG 41 HH12 ARG 41 -0.908 -3.210 -12.094 179 HH21 ARG 41 HH21 ARG 41 1.695 -3.920 -9.845 180 HH22 ARG 41 HH22 ARG 41 1.052 -4.235 -11.422 181 H CYS 42 H CYS 42 -1.560 -0.918 -5.103 182 HA CYS 42 HA CYS 42 -2.879 0.211 -2.821 183 HB2 CYS 42 HB2 CYS 42 -2.333 -2.774 -2.864 184 HB3 CYS 42 HB3 CYS 42 -3.001 -1.843 -1.532 185 H LEU 43 H LEU 43 -1.348 0.781 -1.320 186 HA LEU 43 HA LEU 43 1.431 0.219 -2.100 187 HB2 LEU 43 HB2 LEU 43 0.270 2.581 -1.483 188 HB3 LEU 43 HB3 LEU 43 0.830 2.100 0.103 189 HG LEU 43 HG LEU 43 2.447 2.738 -2.336 190 HD11 LEU 43 HD11 LEU 43 1.872 4.575 -0.875 191 HD12 LEU 43 HD12 LEU 43 3.602 4.238 -0.807 192 HD13 LEU 43 HD13 LEU 43 2.548 3.706 0.503 193 HD21 LEU 43 HD21 LEU 43 3.352 0.647 -1.514 194 HD22 LEU 43 HD22 LEU 43 3.449 1.317 0.115 195 HD23 LEU 43 HD23 LEU 43 4.451 1.983 -1.176 196 H PHE 44 H PHE 44 2.485 -1.312 -0.985 197 HA PHE 44 HA PHE 44 2.007 -1.455 1.908 198 HB2 PHE 44 HB2 PHE 44 0.915 -3.396 1.033 199 HB3 PHE 44 HB3 PHE 44 2.272 -3.759 -0.030 200 HD1 PHE 44 HD1 PHE 44 1.888 -3.064 3.627 201 HD2 PHE 44 HD2 PHE 44 3.392 -5.643 0.594 202 HE1 PHE 44 HE1 PHE 44 2.886 -4.504 5.352 203 HE2 PHE 44 HE2 PHE 44 4.395 -7.084 2.311 204 HZ PHE 44 HZ PHE 44 4.174 -6.506 4.688 205 H VAL 45 H VAL 45 3.784 -0.591 2.734 206 HA VAL 45 HA VAL 45 6.414 -1.439 1.681 207 HB VAL 45 HB VAL 45 5.878 0.983 3.425 208 HG11 VAL 45 HG11 VAL 45 8.339 0.125 1.912 209 HG12 VAL 45 HG12 VAL 45 8.116 0.078 3.661 210 HG13 VAL 45 HG13 VAL 45 8.160 1.628 2.820 211 HG21 VAL 45 HG21 VAL 45 6.262 2.349 1.427 212 HG22 VAL 45 HG22 VAL 45 4.846 1.314 1.232 213 HG23 VAL 45 HG23 VAL 45 6.366 0.887 0.447 214 H GLN 46 H GLN 46 7.871 -2.359 3.216 215 HA GLN 46 HA GLN 46 6.485 -3.154 5.658 216 HB2 GLN 46 HB2 GLN 46 8.425 -4.935 5.723 217 HB3 GLN 46 HB3 GLN 46 6.887 -5.230 4.932 218 HG2 GLN 46 HG2 GLN 46 9.107 -4.074 3.348 219 HG3 GLN 46 HG3 GLN 46 9.144 -5.763 3.781 220 HE21 GLN 46 HE21 GLN 46 6.187 -4.096 3.343 221 HE22 GLN 46 HE22 GLN 46 5.732 -4.826 1.864 222 H LEU 47 H LEU 47 7.532 -2.878 7.607 223 HA LEU 47 HA LEU 47 10.025 -1.355 7.509 224 HB2 LEU 47 HB2 LEU 47 7.565 -0.644 9.112 225 HB3 LEU 47 HB3 LEU 47 9.160 -0.072 9.544 226 HG LEU 47 HG LEU 47 8.017 1.675 8.396 227 HD11 LEU 47 HD11 LEU 47 9.510 2.098 6.517 228 HD12 LEU 47 HD12 LEU 47 10.024 0.410 6.543 229 HD13 LEU 47 HD13 LEU 47 10.388 1.465 7.909 230 HD21 LEU 47 HD21 LEU 47 7.556 -0.275 6.152 231 HD22 LEU 47 HD22 LEU 47 7.199 1.451 6.098 232 HD23 LEU 47 HD23 LEU 47 6.333 0.407 7.224 233 HA PRO 48 HA PRO 48 11.488 -4.257 10.462 234 HB2 PRO 48 HB2 PRO 48 12.397 -2.037 12.207 235 HB3 PRO 48 HB3 PRO 48 13.326 -3.355 11.485 236 HG2 PRO 48 HG2 PRO 48 13.518 -0.873 10.535 237 HG3 PRO 48 HG3 PRO 48 13.528 -2.274 9.446 238 HD2 PRO 48 HD2 PRO 48 11.313 -0.358 10.055 239 HD3 PRO 48 HD3 PRO 48 11.776 -1.085 8.502 240 H TYR 49 H TYR 49 9.423 -1.694 11.633 241 HA TYR 49 HA TYR 49 8.499 -3.441 13.769 242 HB2 TYR 49 HB2 TYR 49 9.282 -0.557 14.251 243 HB3 TYR 49 HB3 TYR 49 8.405 -1.564 15.396 244 HD1 TYR 49 HD1 TYR 49 9.552 -3.554 16.400 245 HD2 TYR 49 HD2 TYR 49 11.634 -0.678 14.057 246 HE1 TYR 49 HE1 TYR 49 11.683 -4.355 17.324 247 HE2 TYR 49 HE2 TYR 49 13.771 -1.472 14.969 248 HH TYR 49 HH TYR 49 14.059 -4.370 16.727 249 H SER 50 H SER 50 7.539 -2.254 11.106 250 HA SER 50 HA SER 50 4.967 -1.504 11.869 251 HB2 SER 50 HB2 SER 50 6.600 0.787 10.735 252 HB3 SER 50 HB3 SER 50 4.871 0.816 11.069 253 HG SER 50 HG SER 50 6.030 0.047 13.296 254 H GLU 51 H GLU 51 4.078 -0.168 9.617 255 HA GLU 51 HA GLU 51 5.283 -1.093 7.224 256 HB2 GLU 51 HB2 GLU 51 3.582 -2.651 6.472 257 HB3 GLU 51 HB3 GLU 51 4.236 -3.217 8.004 258 HG2 GLU 51 HG2 GLU 51 2.229 -1.960 9.039 259 HG3 GLU 51 HG3 GLU 51 1.563 -2.033 7.411 260 H ILE 52 H ILE 52 4.104 -0.334 5.334 261 HA ILE 52 HA ILE 52 2.409 1.976 6.023 262 HB ILE 52 HB ILE 52 4.299 1.662 3.704 263 HG12 ILE 52 HG12 ILE 52 5.512 2.270 5.655 264 HG13 ILE 52 HG13 ILE 52 5.274 3.740 4.729 265 HG21 ILE 52 HG21 ILE 52 2.388 3.907 4.304 266 HG22 ILE 52 HG22 ILE 52 2.292 2.780 2.951 267 HG23 ILE 52 HG23 ILE 52 3.629 3.924 3.051 268 HD11 ILE 52 HD11 ILE 52 3.452 4.396 6.189 269 HD12 ILE 52 HD12 ILE 52 4.944 4.135 7.092 270 HD13 ILE 52 HD13 ILE 52 3.672 2.915 7.121 271 H GLN 53 H GLN 53 0.456 2.148 4.925 272 HA GLN 53 HA GLN 53 -0.135 0.263 2.866 273 HB2 GLN 53 HB2 GLN 53 -2.008 0.177 5.222 274 HB3 GLN 53 HB3 GLN 53 -1.949 -0.899 3.836 275 HG2 GLN 53 HG2 GLN 53 0.304 -1.661 4.703 276 HG3 GLN 53 HG3 GLN 53 -0.087 -0.791 6.186 277 HE21 GLN 53 HE21 GLN 53 -0.667 -3.579 4.273 278 HE22 GLN 53 HE22 GLN 53 -1.701 -4.387 5.391 279 H GLU 54 H GLU 54 -1.330 1.321 1.422 280 HA GLU 54 HA GLU 54 -3.520 3.074 2.150 281 HB2 GLU 54 HB2 GLU 54 -2.176 4.769 0.467 282 HB3 GLU 54 HB3 GLU 54 -2.219 4.953 2.204 283 HG2 GLU 54 HG2 GLU 54 -0.145 3.169 1.756 284 HG3 GLU 54 HG3 GLU 54 -0.005 4.355 0.452 285 H CYS 55 H CYS 55 -4.927 3.471 0.311 286 HA CYS 55 HA CYS 55 -4.350 2.187 -2.144 287 HB2 CYS 55 HB2 CYS 55 -6.374 4.262 -1.303 288 HB3 CYS 55 HB3 CYS 55 -6.137 3.944 -3.015 289 H LYS 56 H LYS 56 -3.068 2.819 -3.727 290 HA LYS 56 HA LYS 56 -2.337 5.615 -3.898 291 HB2 LYS 56 HB2 LYS 56 -0.452 3.493 -3.243 292 HB3 LYS 56 HB3 LYS 56 -0.019 4.307 -4.741 293 HG2 LYS 56 HG2 LYS 56 1.017 5.259 -2.671 294 HG3 LYS 56 HG3 LYS 56 0.117 6.417 -3.656 295 HD2 LYS 56 HD2 LYS 56 -1.783 6.253 -2.173 296 HD3 LYS 56 HD3 LYS 56 -0.975 5.010 -1.231 297 HE2 LYS 56 HE2 LYS 56 0.784 6.653 -0.653 298 HE3 LYS 56 HE3 LYS 56 -0.117 7.868 -1.534 299 HZ1 LYS 56 HZ1 LYS 56 -0.635 6.716 1.067 300 HZ2 LYS 56 HZ2 LYS 56 -1.997 7.018 0.100 301 HZ3 LYS 56 HZ3 LYS 56 -0.943 8.279 0.492 302 H THR 57 H THR 57 -2.376 6.275 -5.994 303 HA THR 57 HA THR 57 -3.563 4.739 -7.853 304 HB THR 57 HB THR 57 -3.019 6.337 -9.554 305 HG1 THR 57 HG1 THR 57 -1.252 7.976 -8.633 306 HG21 THR 57 HG21 THR 57 -3.021 7.753 -6.891 307 HG22 THR 57 HG22 THR 57 -4.441 7.240 -7.802 308 HG23 THR 57 HG23 THR 57 -3.388 8.499 -8.446 309 H VAL 58 H VAL 58 -2.759 3.489 -9.738 310 HA VAL 58 HA VAL 58 -0.593 1.912 -9.328 311 HB VAL 58 HB VAL 58 -1.580 2.759 -12.078 312 HG11 VAL 58 HG11 VAL 58 -0.717 0.598 -12.834 313 HG12 VAL 58 HG12 VAL 58 -0.078 0.286 -11.220 314 HG13 VAL 58 HG13 VAL 58 0.569 1.614 -12.184 315 HG21 VAL 58 HG21 VAL 58 -3.013 0.783 -11.957 316 HG22 VAL 58 HG22 VAL 58 -3.388 1.930 -10.669 317 HG23 VAL 58 HG23 VAL 58 -2.454 0.478 -10.312 318 H GLN 59 H GLN 59 -0.607 5.113 -10.798 319 HA GLN 59 HA GLN 59 2.069 5.039 -11.859 320 HB2 GLN 59 HB2 GLN 59 0.708 6.691 -12.847 321 HB3 GLN 59 HB3 GLN 59 0.099 7.242 -11.291 322 HG2 GLN 59 HG2 GLN 59 2.396 8.051 -10.749 323 HG3 GLN 59 HG3 GLN 59 2.868 7.647 -12.402 324 HE21 GLN 59 HE21 GLN 59 2.893 10.216 -11.079 325 HE22 GLN 59 HE22 GLN 59 1.858 11.250 -12.014 326 H GLN 60 H GLN 60 0.520 6.537 -9.033 327 HA GLN 60 HA GLN 60 2.926 7.597 -7.981 328 HB2 GLN 60 HB2 GLN 60 0.673 8.461 -7.411 329 HB3 GLN 60 HB3 GLN 60 0.330 6.970 -6.546 330 HG2 GLN 60 HG2 GLN 60 1.981 7.450 -4.904 331 HG3 GLN 60 HG3 GLN 60 2.598 8.810 -5.838 332 HE21 GLN 60 HE21 GLN 60 1.442 10.717 -5.903 333 HE22 GLN 60 HE22 GLN 60 0.194 11.077 -4.761 334 H CYS 61 H CYS 61 1.274 4.517 -7.574 335 HA CYS 61 HA CYS 61 2.803 3.643 -5.394 336 HB2 CYS 61 HB2 CYS 61 1.791 1.604 -5.708 337 HB3 CYS 61 HB3 CYS 61 0.721 2.577 -6.706 338 H ALA 62 H ALA 62 3.447 3.370 -8.912 339 HA ALA 62 HA ALA 62 5.898 2.092 -8.638 340 HB1 ALA 62 HB1 ALA 62 4.754 2.371 -10.787 341 HB2 ALA 62 HB2 ALA 62 6.421 2.940 -10.872 342 HB3 ALA 62 HB3 ALA 62 5.098 4.100 -10.748 343 H GLU 63 H GLU 63 5.091 5.510 -8.613 344 HA GLU 63 HA GLU 63 7.612 6.650 -8.397 345 HB2 GLU 63 HB2 GLU 63 4.983 7.504 -7.159 346 HB3 GLU 63 HB3 GLU 63 6.376 8.543 -7.342 347 HG2 GLU 63 HG2 GLU 63 6.223 8.382 -9.753 348 HG3 GLU 63 HG3 GLU 63 4.875 7.258 -9.605 349 H VAL 64 H VAL 64 5.369 5.972 -5.725 350 HA VAL 64 HA VAL 64 7.115 6.354 -3.705 351 HB VAL 64 HB VAL 64 5.363 5.410 -2.376 352 HG11 VAL 64 HG11 VAL 64 4.181 6.877 -4.690 353 HG12 VAL 64 HG12 VAL 64 4.977 7.625 -3.300 354 HG13 VAL 64 HG13 VAL 64 3.471 6.734 -3.078 355 HG21 VAL 64 HG21 VAL 64 4.435 4.225 -4.895 356 HG22 VAL 64 HG22 VAL 64 3.396 4.368 -3.473 357 HG23 VAL 64 HG23 VAL 64 4.876 3.406 -3.400 358 H LEU 65 H LEU 65 6.396 3.421 -5.494 359 HA LEU 65 HA LEU 65 7.515 1.531 -3.844 360 HB2 LEU 65 HB2 LEU 65 6.314 1.022 -5.932 361 HB3 LEU 65 HB3 LEU 65 7.658 1.654 -6.861 362 HG LEU 65 HG LEU 65 9.091 -0.163 -6.052 363 HD11 LEU 65 HD11 LEU 65 8.136 -1.996 -4.771 364 HD12 LEU 65 HD12 LEU 65 6.602 -1.129 -4.659 365 HD13 LEU 65 HD13 LEU 65 8.043 -0.480 -3.879 366 HD21 LEU 65 HD21 LEU 65 6.463 -1.151 -7.133 367 HD22 LEU 65 HD22 LEU 65 8.011 -1.991 -7.218 368 HD23 LEU 65 HD23 LEU 65 7.778 -0.478 -8.096 369 H GLU 66 H GLU 66 9.111 3.506 -6.318 370 HA GLU 66 HA GLU 66 11.646 2.310 -5.745 371 HB2 GLU 66 HB2 GLU 66 11.083 3.038 -8.027 372 HB3 GLU 66 HB3 GLU 66 11.003 4.702 -7.465 373 HG2 GLU 66 HG2 GLU 66 13.360 4.672 -6.932 374 HG3 GLU 66 HG3 GLU 66 13.464 2.970 -7.384 375 H GLU 67 H GLU 67 9.960 5.144 -4.631 376 HA GLU 67 HA GLU 67 12.234 6.705 -4.011 377 HB2 GLU 67 HB2 GLU 67 10.715 8.036 -2.687 378 HB3 GLU 67 HB3 GLU 67 9.947 7.610 -4.218 379 HG2 GLU 67 HG2 GLU 67 8.755 5.873 -3.219 380 HG3 GLU 67 HG3 GLU 67 9.571 6.122 -1.688 381 H VAL 68 H VAL 68 10.143 4.606 -2.001 382 HA VAL 68 HA VAL 68 11.960 4.704 0.160 383 HB VAL 68 HB VAL 68 10.568 2.943 1.198 384 HG11 VAL 68 HG11 VAL 68 9.934 5.271 1.431 385 HG12 VAL 68 HG12 VAL 68 8.494 4.259 1.303 386 HG13 VAL 68 HG13 VAL 68 9.036 5.201 -0.086 387 HG21 VAL 68 HG21 VAL 68 9.043 2.997 -1.405 388 HG22 VAL 68 HG22 VAL 68 8.557 2.146 0.060 389 HG23 VAL 68 HG23 VAL 68 10.015 1.656 -0.801 390 H THR 69 H THR 69 11.455 2.288 -2.382 391 HA THR 69 HA THR 69 13.072 0.331 -1.269 392 HB THR 69 HB THR 69 12.445 0.810 -4.180 393 HG1 THR 69 HG1 THR 69 10.565 0.297 -3.254 394 HG21 THR 69 HG21 THR 69 14.423 -0.626 -3.956 395 HG22 THR 69 HG22 THR 69 13.029 -1.540 -4.533 396 HG23 THR 69 HG23 THR 69 13.534 -1.672 -2.849 397 H ALA 70 H ALA 70 13.950 3.092 -3.269 398 HA ALA 70 HA ALA 70 16.632 2.402 -3.637 399 HB1 ALA 70 HB1 ALA 70 15.437 5.167 -3.443 400 HB2 ALA 70 HB2 ALA 70 15.518 4.175 -4.901 401 HB3 ALA 70 HB3 ALA 70 17.002 4.760 -4.148 402 H ILE 71 H ILE 71 14.984 3.440 -0.834 403 HA ILE 71 HA ILE 71 17.394 4.416 0.508 404 HB ILE 71 HB ILE 71 14.719 4.005 1.834 405 HG12 ILE 71 HG12 ILE 71 15.589 6.491 0.341 406 HG13 ILE 71 HG13 ILE 71 14.385 5.349 -0.238 407 HG21 ILE 71 HG21 ILE 71 16.634 4.470 3.267 408 HG22 ILE 71 HG22 ILE 71 15.507 5.827 3.276 409 HG23 ILE 71 HG23 ILE 71 16.996 5.923 2.334 410 HD11 ILE 71 HD11 ILE 71 14.182 7.016 2.257 411 HD12 ILE 71 HD12 ILE 71 12.975 5.865 1.683 412 HD13 ILE 71 HD13 ILE 71 13.341 7.305 0.734 413 H GLY 72 H GLY 72 15.769 1.529 -0.106 414 HA2 GLY 72 HA2 GLY 72 16.655 -0.516 0.646 415 HA3 GLY 72 HA3 GLY 72 17.070 0.246 2.174 416 H TYR 73 H TYR 73 13.982 1.184 1.359 417 HA TYR 73 HA TYR 73 12.898 -0.630 3.368 418 HB2 TYR 73 HB2 TYR 73 11.756 1.862 2.094 419 HB3 TYR 73 HB3 TYR 73 10.947 0.893 3.312 420 HD1 TYR 73 HD1 TYR 73 12.479 0.469 5.492 421 HD2 TYR 73 HD2 TYR 73 12.821 3.761 2.822 422 HE1 TYR 73 HE1 TYR 73 13.567 1.784 7.264 423 HE2 TYR 73 HE2 TYR 73 13.910 5.085 4.584 424 HH TYR 73 HH TYR 73 15.103 3.728 7.430 425 HA PRO 74 HA PRO 74 11.384 -3.123 -0.051 426 HB2 PRO 74 HB2 PRO 74 9.940 -4.390 2.212 427 HB3 PRO 74 HB3 PRO 74 10.962 -5.128 0.995 428 HG2 PRO 74 HG2 PRO 74 11.882 -4.870 3.430 429 HG3 PRO 74 HG3 PRO 74 12.928 -4.458 2.053 430 HD2 PRO 74 HD2 PRO 74 11.334 -2.620 3.816 431 HD3 PRO 74 HD3 PRO 74 13.030 -2.502 3.312 432 H ALA 75 H ALA 75 9.755 -2.363 -1.297 433 HA ALA 75 HA ALA 75 7.103 -2.136 -0.027 434 HB1 ALA 75 HB1 ALA 75 6.694 -0.268 -1.607 435 HB2 ALA 75 HB2 ALA 75 8.376 -0.392 -2.127 436 HB3 ALA 75 HB3 ALA 75 7.999 0.050 -0.462 437 H LYS 76 H LYS 76 5.261 -2.421 -1.403 438 HA LYS 76 HA LYS 76 5.703 -3.215 -4.168 439 HB2 LYS 76 HB2 LYS 76 3.632 -4.892 -3.496 440 HB3 LYS 76 HB3 LYS 76 5.270 -5.391 -3.813 441 HG2 LYS 76 HG2 LYS 76 4.682 -4.574 -1.045 442 HG3 LYS 76 HG3 LYS 76 3.882 -6.041 -1.613 443 HD2 LYS 76 HD2 LYS 76 6.260 -6.695 -2.444 444 HD3 LYS 76 HD3 LYS 76 6.803 -5.476 -1.288 445 HE2 LYS 76 HE2 LYS 76 5.513 -6.636 0.474 446 HE3 LYS 76 HE3 LYS 76 5.095 -7.887 -0.694 447 HZ1 LYS 76 HZ1 LYS 76 6.910 -8.696 0.539 448 HZ2 LYS 76 HZ2 LYS 76 7.766 -7.238 0.401 449 HZ3 LYS 76 HZ3 LYS 76 7.557 -8.225 -0.958 450 H CYS 77 H CYS 77 3.979 -2.591 -5.519 451 HA CYS 77 HA CYS 77 1.466 -2.067 -4.114 452 HB2 CYS 77 HB2 CYS 77 0.890 -0.576 -6.037 453 HB3 CYS 77 HB3 CYS 77 2.155 0.023 -5.000 454 H CYS 78 H CYS 78 0.371 -3.882 -4.360 455 HA CYS 78 HA CYS 78 0.089 -5.083 -6.956 456 HB2 CYS 78 HB2 CYS 78 -1.323 -6.704 -5.535 457 HB3 CYS 78 HB3 CYS 78 0.403 -6.602 -5.186 458 H CYS 79 H CYS 79 -2.064 -5.664 -7.822 459 HA CYS 79 HA CYS 79 -4.032 -3.579 -7.195 460 HB2 CYS 79 HB2 CYS 79 -4.838 -3.873 -9.577 461 HB3 CYS 79 HB3 CYS 79 -3.280 -3.074 -9.401 462 HG CYS 79 HG CYS 79 -3.722 -6.357 -10.253 463 H GLU 80 H GLU 80 -5.255 -4.688 -5.830 464 HA GLU 80 HA GLU 80 -7.222 -6.474 -6.642 465 HB2 GLU 80 HB2 GLU 80 -5.345 -8.087 -6.899 466 HB3 GLU 80 HB3 GLU 80 -4.900 -7.823 -5.220 467 HG2 GLU 80 HG2 GLU 80 -6.139 -9.907 -5.548 468 HG3 GLU 80 HG3 GLU 80 -6.984 -8.788 -4.478 469 H ASP 81 H ASP 81 -8.594 -7.026 -4.781 470 HA ASP 81 HA ASP 81 -8.448 -4.919 -2.807 471 HB2 ASP 81 HB2 ASP 81 -10.287 -7.309 -3.012 472 HB3 ASP 81 HB3 ASP 81 -10.339 -6.152 -1.690 473 H LEU 82 H LEU 82 -7.800 -5.038 -0.780 474 HA LEU 82 HA LEU 82 -6.837 -5.765 1.139 475 HB2 LEU 82 HB2 LEU 82 -7.775 -8.536 0.411 476 HB3 LEU 82 HB3 LEU 82 -7.484 -7.892 2.009 477 HG LEU 82 HG LEU 82 -9.727 -7.794 2.058 478 HD11 LEU 82 HD11 LEU 82 -9.273 -5.321 0.441 479 HD12 LEU 82 HD12 LEU 82 -9.139 -5.467 2.193 480 HD13 LEU 82 HD13 LEU 82 -10.705 -5.675 1.408 481 HD21 LEU 82 HD21 LEU 82 -11.180 -7.569 0.053 482 HD22 LEU 82 HD22 LEU 82 -10.172 -9.014 0.122 483 HD23 LEU 82 HD23 LEU 82 -9.709 -7.668 -0.916 484 H CYS 83 H CYS 83 -5.478 -6.340 -1.673 485 HA CYS 83 HA CYS 83 -3.719 -8.433 -1.106 486 HB2 CYS 83 HB2 CYS 83 -2.611 -7.901 -3.146 487 HB3 CYS 83 HB3 CYS 83 -4.307 -7.504 -3.394 488 H ASN 84 H ASN 84 -3.262 -4.921 -0.804 489 HA ASN 84 HA ASN 84 -0.577 -5.093 -0.045 490 HB2 ASN 84 HB2 ASN 84 -0.672 -2.778 0.483 491 HB3 ASN 84 HB3 ASN 84 -1.772 -3.021 -0.864 492 HD21 ASN 84 HD21 ASN 84 -1.583 -0.981 1.285 493 HD22 ASN 84 HD22 ASN 84 -3.165 -0.924 1.997 494 H ARG 85 H ARG 85 -3.129 -6.209 1.581 495 HA ARG 85 HA ARG 85 -2.671 -5.397 4.271 496 HB2 ARG 85 HB2 ARG 85 -4.811 -6.209 3.862 497 HB3 ARG 85 HB3 ARG 85 -4.230 -7.542 2.882 498 HG2 ARG 85 HG2 ARG 85 -3.270 -8.477 5.064 499 HG3 ARG 85 HG3 ARG 85 -4.321 -7.305 5.865 500 HD2 ARG 85 HD2 ARG 85 -5.299 -9.612 5.544 501 HD3 ARG 85 HD3 ARG 85 -6.271 -8.275 4.925 502 HE ARG 85 HE ARG 85 -5.258 -8.849 2.690 503 HH11 ARG 85 HH11 ARG 85 -5.614 -11.270 5.197 504 HH12 ARG 85 HH12 ARG 85 -5.710 -12.592 4.083 505 HH21 ARG 85 HH21 ARG 85 -5.382 -10.579 1.223 506 HH22 ARG 85 HH22 ARG 85 -5.579 -12.197 1.810 507 H SER 86 H SER 86 -1.643 -8.160 2.313 508 HA SER 86 HA SER 86 0.514 -8.732 4.015 509 HB2 SER 86 HB2 SER 86 -0.229 -11.044 4.707 510 HB3 SER 86 HB3 SER 86 -1.086 -9.731 5.516 511 HG SER 86 HG SER 86 -2.026 -11.153 3.240 512 H GLU 87 H GLU 87 2.034 -9.651 2.772 513 HA GLU 87 HA GLU 87 1.352 -10.599 0.172 514 HB2 GLU 87 HB2 GLU 87 3.788 -10.853 -0.110 515 HB3 GLU 87 HB3 GLU 87 3.352 -9.272 0.522 516 HG2 GLU 87 HG2 GLU 87 3.895 -10.148 2.811 517 HG3 GLU 87 HG3 GLU 87 4.550 -11.586 2.022 518 H GLN 88 H GLN 88 1.098 -12.121 3.007 519 HA GLN 88 HA GLN 88 2.261 -14.679 2.163 520 HB2 GLN 88 HB2 GLN 88 1.077 -13.893 4.834 521 HB3 GLN 88 HB3 GLN 88 1.803 -15.447 4.449 522 HG2 GLN 88 HG2 GLN 88 3.957 -14.376 4.107 523 HG3 GLN 88 HG3 GLN 88 3.238 -12.801 4.441 524 HE21 GLN 88 HE21 GLN 88 4.280 -15.821 5.798 525 HE22 GLN 88 HE22 GLN 88 4.224 -15.327 7.452 Start of MODEL 5 1 H MET 18 H MET 18 -13.316 0.557 -10.448 2 HA MET 18 HA MET 18 -16.122 1.266 -9.838 3 HB2 MET 18 HB2 MET 18 -15.685 -0.704 -11.416 4 HB3 MET 18 HB3 MET 18 -14.918 -1.497 -10.047 5 HG2 MET 18 HG2 MET 18 -17.191 -2.259 -10.282 6 HG3 MET 18 HG3 MET 18 -17.015 -1.335 -8.790 7 HE1 MET 18 HE1 MET 18 -20.679 -0.479 -9.865 8 HE2 MET 18 HE2 MET 18 -19.640 -1.116 -8.589 9 HE3 MET 18 HE3 MET 18 -19.861 -2.026 -10.083 10 H ALA 19 H ALA 19 -13.784 2.137 -8.419 11 HA ALA 19 HA ALA 19 -12.756 2.165 -6.417 12 HB1 ALA 19 HB1 ALA 19 -14.046 1.501 -4.484 13 HB2 ALA 19 HB2 ALA 19 -15.122 0.536 -5.496 14 HB3 ALA 19 HB3 ALA 19 -15.096 2.292 -5.661 15 H LEU 20 H LEU 20 -11.868 0.797 -4.579 16 HA LEU 20 HA LEU 20 -11.629 -2.062 -5.085 17 HB2 LEU 20 HB2 LEU 20 -9.857 -0.859 -6.421 18 HB3 LEU 20 HB3 LEU 20 -9.208 -0.255 -4.911 19 HG LEU 20 HG LEU 20 -8.788 -2.600 -4.199 20 HD11 LEU 20 HD11 LEU 20 -8.876 -4.369 -5.891 21 HD12 LEU 20 HD12 LEU 20 -9.622 -3.241 -7.025 22 HD13 LEU 20 HD13 LEU 20 -10.476 -3.707 -5.554 23 HD21 LEU 20 HD21 LEU 20 -7.015 -1.265 -5.206 24 HD22 LEU 20 HD22 LEU 20 -7.527 -1.780 -6.813 25 HD23 LEU 20 HD23 LEU 20 -6.871 -2.958 -5.678 26 H LYS 21 H LYS 21 -10.957 -3.202 -3.140 27 HA LYS 21 HA LYS 21 -10.785 -1.446 -0.811 28 HB2 LYS 21 HB2 LYS 21 -11.402 -4.398 -0.931 29 HB3 LYS 21 HB3 LYS 21 -11.574 -3.345 0.467 30 HG2 LYS 21 HG2 LYS 21 -13.261 -2.039 -0.850 31 HG3 LYS 21 HG3 LYS 21 -13.186 -3.316 -2.067 32 HD2 LYS 21 HD2 LYS 21 -15.029 -3.821 -0.658 33 HD3 LYS 21 HD3 LYS 21 -13.732 -4.941 -0.232 34 HE2 LYS 21 HE2 LYS 21 -14.885 -3.997 1.743 35 HE3 LYS 21 HE3 LYS 21 -13.161 -3.635 1.701 36 HZ1 LYS 21 HZ1 LYS 21 -14.474 -1.704 2.334 37 HZ2 LYS 21 HZ2 LYS 21 -15.323 -1.778 0.872 38 HZ3 LYS 21 HZ3 LYS 21 -13.667 -1.435 0.871 39 H CYS 22 H CYS 22 -8.663 -1.014 -0.391 40 HA CYS 22 HA CYS 22 -7.054 -3.383 0.247 41 HB2 CYS 22 HB2 CYS 22 -6.290 -0.730 -0.938 42 HB3 CYS 22 HB3 CYS 22 -5.096 -1.734 -0.118 43 H PHE 23 H PHE 23 -5.233 -2.798 1.859 44 HA PHE 23 HA PHE 23 -6.678 -1.958 4.250 45 HB2 PHE 23 HB2 PHE 23 -3.938 -3.189 3.891 46 HB3 PHE 23 HB3 PHE 23 -4.651 -2.775 5.445 47 HD1 PHE 23 HD1 PHE 23 -6.556 -4.039 6.308 48 HD2 PHE 23 HD2 PHE 23 -4.607 -5.139 2.689 49 HE1 PHE 23 HE1 PHE 23 -7.607 -6.260 6.423 50 HE2 PHE 23 HE2 PHE 23 -5.657 -7.362 2.795 51 HZ PHE 23 HZ PHE 23 -7.159 -7.924 4.664 52 H THR 24 H THR 24 -6.545 0.071 4.918 53 HA THR 24 HA THR 24 -3.980 1.476 4.565 54 HB THR 24 HB THR 24 -6.724 2.736 4.734 55 HG1 THR 24 HG1 THR 24 -6.764 2.229 2.674 56 HG21 THR 24 HG21 THR 24 -5.561 4.804 4.116 57 HG22 THR 24 HG22 THR 24 -4.020 3.947 4.154 58 HG23 THR 24 HG23 THR 24 -4.950 4.155 5.638 59 H ARG 25 H ARG 25 -3.081 2.316 6.429 60 HA ARG 25 HA ARG 25 -4.408 1.371 8.874 61 HB2 ARG 25 HB2 ARG 25 -2.119 0.462 8.444 62 HB3 ARG 25 HB3 ARG 25 -1.495 2.106 8.532 63 HG2 ARG 25 HG2 ARG 25 -2.141 2.297 10.824 64 HG3 ARG 25 HG3 ARG 25 -2.993 0.756 10.763 65 HD2 ARG 25 HD2 ARG 25 -0.950 0.315 11.845 66 HD3 ARG 25 HD3 ARG 25 -0.761 -0.298 10.204 67 HE ARG 25 HE ARG 25 0.648 1.563 9.716 68 HH11 ARG 25 HH11 ARG 25 -0.314 1.321 13.077 69 HH12 ARG 25 HH12 ARG 25 1.026 2.255 13.663 70 HH21 ARG 25 HH21 ARG 25 2.427 2.794 10.484 71 HH22 ARG 25 HH22 ARG 25 2.597 3.088 12.184 72 H ASN 26 H ASN 26 -5.419 2.879 9.975 73 HA ASN 26 HA ASN 26 -4.567 5.672 9.624 74 HB2 ASN 26 HB2 ASN 26 -6.872 5.299 8.830 75 HB3 ASN 26 HB3 ASN 26 -7.307 4.639 10.402 76 HD21 ASN 26 HD21 ASN 26 -7.540 6.019 12.155 77 HD22 ASN 26 HD22 ASN 26 -7.683 7.733 11.961 78 H GLY 27 H GLY 27 -2.971 5.364 11.258 79 HA2 GLY 27 HA2 GLY 27 -2.468 6.167 13.435 80 HA3 GLY 27 HA3 GLY 27 -4.124 5.822 13.912 81 H ASP 28 H ASP 28 -4.745 3.588 14.210 82 HA ASP 28 HA ASP 28 -2.636 2.228 15.643 83 HB2 ASP 28 HB2 ASP 28 -4.530 0.636 16.251 84 HB3 ASP 28 HB3 ASP 28 -4.674 2.295 16.818 85 H ASP 29 H ASP 29 -5.123 0.492 13.798 86 HA ASP 29 HA ASP 29 -2.923 -0.808 12.331 87 HB2 ASP 29 HB2 ASP 29 -4.064 -2.112 14.241 88 HB3 ASP 29 HB3 ASP 29 -5.429 -2.264 13.136 89 H ARG 30 H ARG 30 -4.438 -2.468 10.643 90 HA ARG 30 HA ARG 30 -4.809 -0.344 8.655 91 HB2 ARG 30 HB2 ARG 30 -4.702 -3.250 7.972 92 HB3 ARG 30 HB3 ARG 30 -4.181 -1.861 7.027 93 HG2 ARG 30 HG2 ARG 30 -2.103 -2.225 7.681 94 HG3 ARG 30 HG3 ARG 30 -2.589 -1.910 9.350 95 HD2 ARG 30 HD2 ARG 30 -3.481 -4.486 8.856 96 HD3 ARG 30 HD3 ARG 30 -1.914 -4.416 8.050 97 HE ARG 30 HE ARG 30 -2.433 -4.058 10.923 98 HH11 ARG 30 HH11 ARG 30 -0.133 -4.287 8.280 99 HH12 ARG 30 HH12 ARG 30 1.227 -4.627 9.316 100 HH21 ARG 30 HH21 ARG 30 -0.673 -4.454 12.283 101 HH22 ARG 30 HH22 ARG 30 0.909 -4.721 11.605 102 H THR 31 H THR 31 -6.813 0.230 8.221 103 HA THR 31 HA THR 31 -8.983 -1.712 8.526 104 HB THR 31 HB THR 31 -10.461 0.289 8.144 105 HG1 THR 31 HG1 THR 31 -8.128 1.406 7.458 106 HG21 THR 31 HG21 THR 31 -8.494 0.484 10.426 107 HG22 THR 31 HG22 THR 31 -9.974 -0.476 10.406 108 HG23 THR 31 HG23 THR 31 -10.063 1.285 10.358 109 H VAL 32 H VAL 32 -10.440 -2.127 6.761 110 HA VAL 32 HA VAL 32 -9.090 -2.069 4.181 111 HB VAL 32 HB VAL 32 -11.841 -3.150 4.828 112 HG11 VAL 32 HG11 VAL 32 -11.543 -2.631 2.483 113 HG12 VAL 32 HG12 VAL 32 -11.567 -4.379 2.718 114 HG13 VAL 32 HG13 VAL 32 -10.037 -3.547 2.447 115 HG21 VAL 32 HG21 VAL 32 -10.200 -4.384 6.106 116 HG22 VAL 32 HG22 VAL 32 -9.197 -4.592 4.671 117 HG23 VAL 32 HG23 VAL 32 -10.775 -5.375 4.764 118 H THR 33 H THR 33 -9.187 -0.195 3.132 119 HA THR 33 HA THR 33 -11.530 1.531 3.502 120 HB THR 33 HB THR 33 -10.077 3.266 2.381 121 HG1 THR 33 HG1 THR 33 -8.605 1.504 1.555 122 HG21 THR 33 HG21 THR 33 -9.021 2.060 4.944 123 HG22 THR 33 HG22 THR 33 -10.378 3.180 4.817 124 HG23 THR 33 HG23 THR 33 -8.753 3.712 4.387 125 H THR 34 H THR 34 -12.440 2.594 1.630 126 HA THR 34 HA THR 34 -12.376 0.853 -0.726 127 HB THR 34 HB THR 34 -14.636 1.120 0.033 128 HG1 THR 34 HG1 THR 34 -14.300 2.932 -2.136 129 HG21 THR 34 HG21 THR 34 -15.723 3.283 0.311 130 HG22 THR 34 HG22 THR 34 -14.209 4.106 -0.064 131 HG23 THR 34 HG23 THR 34 -14.344 3.132 1.401 132 H CYS 35 H CYS 35 -10.988 1.523 -2.195 133 HA CYS 35 HA CYS 35 -10.069 4.292 -2.120 134 HB2 CYS 35 HB2 CYS 35 -8.725 2.484 -3.988 135 HB3 CYS 35 HB3 CYS 35 -8.059 3.476 -2.707 136 H ALA 36 H ALA 36 -9.912 5.584 -4.008 137 HA ALA 36 HA ALA 36 -12.265 5.304 -5.654 138 HB1 ALA 36 HB1 ALA 36 -11.609 7.467 -4.705 139 HB2 ALA 36 HB2 ALA 36 -11.714 7.522 -6.465 140 HB3 ALA 36 HB3 ALA 36 -10.138 7.438 -5.678 141 H GLU 37 H GLU 37 -12.009 5.978 -8.033 142 HA GLU 37 HA GLU 37 -10.877 3.988 -9.483 143 HB2 GLU 37 HB2 GLU 37 -11.330 6.816 -10.452 144 HB3 GLU 37 HB3 GLU 37 -11.244 5.377 -11.452 145 HG2 GLU 37 HG2 GLU 37 -13.349 5.963 -9.387 146 HG3 GLU 37 HG3 GLU 37 -13.540 6.096 -11.135 147 H GLU 38 H GLU 38 -9.425 7.083 -8.663 148 HA GLU 38 HA GLU 38 -7.171 6.933 -10.320 149 HB2 GLU 38 HB2 GLU 38 -6.187 8.579 -8.714 150 HB3 GLU 38 HB3 GLU 38 -7.756 9.034 -9.375 151 HG2 GLU 38 HG2 GLU 38 -8.834 8.220 -7.362 152 HG3 GLU 38 HG3 GLU 38 -7.268 7.779 -6.695 153 H GLN 39 H GLN 39 -7.948 5.344 -7.366 154 HA GLN 39 HA GLN 39 -5.111 4.870 -6.760 155 HB2 GLN 39 HB2 GLN 39 -7.464 4.353 -4.936 156 HB3 GLN 39 HB3 GLN 39 -5.758 4.381 -4.511 157 HG2 GLN 39 HG2 GLN 39 -5.642 6.728 -4.750 158 HG3 GLN 39 HG3 GLN 39 -7.230 6.796 -5.515 159 HE21 GLN 39 HE21 GLN 39 -5.495 6.446 -2.530 160 HE22 GLN 39 HE22 GLN 39 -6.861 6.699 -1.493 161 H THR 40 H THR 40 -5.923 3.456 -8.855 162 HA THR 40 HA THR 40 -7.083 0.980 -8.106 163 HB THR 40 HB THR 40 -5.941 0.483 -10.542 164 HG1 THR 40 HG1 THR 40 -6.775 3.115 -10.909 165 HG21 THR 40 HG21 THR 40 -8.522 1.952 -9.980 166 HG22 THR 40 HG22 THR 40 -8.299 0.202 -9.976 167 HG23 THR 40 HG23 THR 40 -8.128 1.110 -11.478 168 H ARG 41 H ARG 41 -4.322 1.967 -7.070 169 HA ARG 41 HA ARG 41 -3.161 -0.698 -7.146 170 HB2 ARG 41 HB2 ARG 41 -1.683 1.773 -7.778 171 HB3 ARG 41 HB3 ARG 41 -0.961 0.813 -6.507 172 HG2 ARG 41 HG2 ARG 41 -0.098 0.330 -8.784 173 HG3 ARG 41 HG3 ARG 41 -0.737 -1.071 -7.926 174 HD2 ARG 41 HD2 ARG 41 -2.792 -0.947 -9.188 175 HD3 ARG 41 HD3 ARG 41 -2.250 0.533 -9.977 176 HE ARG 41 HE ARG 41 -0.337 -1.394 -10.514 177 HH11 ARG 41 HH11 ARG 41 -3.741 -0.900 -11.124 178 HH12 ARG 41 HH12 ARG 41 -3.745 -1.782 -12.616 179 HH21 ARG 41 HH21 ARG 41 -0.317 -2.544 -12.504 180 HH22 ARG 41 HH22 ARG 41 -1.786 -2.721 -13.403 181 H CYS 42 H CYS 42 -1.355 -0.409 -5.137 182 HA CYS 42 HA CYS 42 -2.720 0.724 -2.929 183 HB2 CYS 42 HB2 CYS 42 -2.607 -2.306 -2.984 184 HB3 CYS 42 HB3 CYS 42 -3.185 -1.303 -1.655 185 H LEU 43 H LEU 43 -1.295 1.011 -1.220 186 HA LEU 43 HA LEU 43 1.478 0.411 -1.983 187 HB2 LEU 43 HB2 LEU 43 0.330 2.770 -1.184 188 HB3 LEU 43 HB3 LEU 43 1.025 2.173 0.306 189 HG LEU 43 HG LEU 43 2.378 3.069 -2.183 190 HD11 LEU 43 HD11 LEU 43 2.921 3.516 0.729 191 HD12 LEU 43 HD12 LEU 43 2.114 4.634 -0.372 192 HD13 LEU 43 HD13 LEU 43 3.816 4.235 -0.609 193 HD21 LEU 43 HD21 LEU 43 4.484 2.056 -1.461 194 HD22 LEU 43 HD22 LEU 43 3.279 0.840 -1.883 195 HD23 LEU 43 HD23 LEU 43 3.620 1.192 -0.190 196 H PHE 44 H PHE 44 2.560 -1.033 -0.848 197 HA PHE 44 HA PHE 44 1.989 -1.333 2.015 198 HB2 PHE 44 HB2 PHE 44 1.084 -3.321 1.113 199 HB3 PHE 44 HB3 PHE 44 2.362 -3.463 -0.086 200 HD1 PHE 44 HD1 PHE 44 1.478 -4.002 3.447 201 HD2 PHE 44 HD2 PHE 44 4.450 -4.504 0.440 202 HE1 PHE 44 HE1 PHE 44 2.681 -5.589 4.896 203 HE2 PHE 44 HE2 PHE 44 5.650 -6.091 1.879 204 HZ PHE 44 HZ PHE 44 4.765 -6.650 4.105 205 H VAL 45 H VAL 45 3.774 -0.206 2.791 206 HA VAL 45 HA VAL 45 6.359 -1.267 1.896 207 HB VAL 45 HB VAL 45 5.840 1.208 3.554 208 HG11 VAL 45 HG11 VAL 45 8.082 0.307 3.801 209 HG12 VAL 45 HG12 VAL 45 8.120 1.823 2.900 210 HG13 VAL 45 HG13 VAL 45 8.284 0.287 2.049 211 HG21 VAL 45 HG21 VAL 45 6.168 2.507 1.514 212 HG22 VAL 45 HG22 VAL 45 4.786 1.424 1.337 213 HG23 VAL 45 HG23 VAL 45 6.326 1.022 0.578 214 H GLN 46 H GLN 46 7.571 -2.466 3.231 215 HA GLN 46 HA GLN 46 6.428 -3.069 5.863 216 HB2 GLN 46 HB2 GLN 46 6.653 -5.186 5.248 217 HB3 GLN 46 HB3 GLN 46 7.431 -4.706 3.753 218 HG2 GLN 46 HG2 GLN 46 8.939 -6.128 4.678 219 HG3 GLN 46 HG3 GLN 46 9.572 -4.572 5.167 220 HE21 GLN 46 HE21 GLN 46 7.352 -4.409 7.230 221 HE22 GLN 46 HE22 GLN 46 7.906 -5.410 8.519 222 H LEU 47 H LEU 47 7.362 -2.185 7.541 223 HA LEU 47 HA LEU 47 10.159 -1.271 7.326 224 HB2 LEU 47 HB2 LEU 47 7.932 -0.156 9.050 225 HB3 LEU 47 HB3 LEU 47 9.594 0.383 9.090 226 HG LEU 47 HG LEU 47 8.272 1.987 7.915 227 HD11 LEU 47 HD11 LEU 47 9.419 2.075 5.760 228 HD12 LEU 47 HD12 LEU 47 9.929 0.399 5.969 229 HD13 LEU 47 HD13 LEU 47 10.520 1.644 7.069 230 HD21 LEU 47 HD21 LEU 47 7.427 -0.227 6.078 231 HD22 LEU 47 HD22 LEU 47 7.062 1.487 5.871 232 HD23 LEU 47 HD23 LEU 47 6.411 0.607 7.254 233 HA PRO 48 HA PRO 48 11.031 -3.935 10.781 234 HB2 PRO 48 HB2 PRO 48 13.002 -2.064 11.819 235 HB3 PRO 48 HB3 PRO 48 13.257 -3.618 11.026 236 HG2 PRO 48 HG2 PRO 48 13.914 -1.259 9.875 237 HG3 PRO 48 HG3 PRO 48 13.418 -2.677 8.940 238 HD2 PRO 48 HD2 PRO 48 11.819 -0.265 9.723 239 HD3 PRO 48 HD3 PRO 48 11.861 -1.134 8.173 240 H TYR 49 H TYR 49 9.023 -1.648 11.224 241 HA TYR 49 HA TYR 49 9.098 -1.620 14.081 242 HB2 TYR 49 HB2 TYR 49 9.159 1.026 12.607 243 HB3 TYR 49 HB3 TYR 49 8.803 0.837 14.319 244 HD1 TYR 49 HD1 TYR 49 10.621 -0.064 15.836 245 HD2 TYR 49 HD2 TYR 49 11.377 1.172 11.834 246 HE1 TYR 49 HE1 TYR 49 13.019 0.121 16.351 247 HE2 TYR 49 HE2 TYR 49 13.776 1.362 12.339 248 HH TYR 49 HH TYR 49 15.162 0.091 15.168 249 H SER 50 H SER 50 7.621 -0.392 11.138 250 HA SER 50 HA SER 50 5.033 -1.293 12.003 251 HB2 SER 50 HB2 SER 50 5.468 1.624 11.283 252 HB3 SER 50 HB3 SER 50 3.899 0.857 11.525 253 HG SER 50 HG SER 50 5.466 0.353 13.638 254 H GLU 51 H GLU 51 3.491 -0.363 9.910 255 HA GLU 51 HA GLU 51 5.142 -0.678 7.498 256 HB2 GLU 51 HB2 GLU 51 2.508 -2.025 8.164 257 HB3 GLU 51 HB3 GLU 51 3.304 -2.115 6.601 258 HG2 GLU 51 HG2 GLU 51 5.082 -3.385 7.458 259 HG3 GLU 51 HG3 GLU 51 4.643 -3.019 9.127 260 H ILE 52 H ILE 52 4.200 0.073 5.540 261 HA ILE 52 HA ILE 52 2.343 2.328 5.955 262 HB ILE 52 HB ILE 52 4.226 1.939 3.627 263 HG12 ILE 52 HG12 ILE 52 4.469 3.775 5.993 264 HG13 ILE 52 HG13 ILE 52 5.409 2.319 5.759 265 HG21 ILE 52 HG21 ILE 52 3.676 4.290 3.139 266 HG22 ILE 52 HG22 ILE 52 2.524 4.281 4.474 267 HG23 ILE 52 HG23 ILE 52 2.258 3.243 3.073 268 HD11 ILE 52 HD11 ILE 52 6.712 4.265 5.170 269 HD12 ILE 52 HD12 ILE 52 5.469 4.779 4.029 270 HD13 ILE 52 HD13 ILE 52 6.384 3.302 3.729 271 H GLN 53 H GLN 53 0.365 1.713 5.399 272 HA GLN 53 HA GLN 53 0.057 0.155 2.983 273 HB2 GLN 53 HB2 GLN 53 -1.344 -0.536 5.574 274 HB3 GLN 53 HB3 GLN 53 -1.793 -1.182 4.000 275 HG2 GLN 53 HG2 GLN 53 0.359 -2.248 3.774 276 HG3 GLN 53 HG3 GLN 53 0.909 -1.521 5.281 277 HE21 GLN 53 HE21 GLN 53 -1.069 -3.969 3.829 278 HE22 GLN 53 HE22 GLN 53 -1.370 -4.860 5.281 279 H GLU 54 H GLU 54 -1.341 1.053 1.691 280 HA GLU 54 HA GLU 54 -3.671 2.515 2.503 281 HB2 GLU 54 HB2 GLU 54 -2.817 4.653 1.386 282 HB3 GLU 54 HB3 GLU 54 -2.194 4.307 2.986 283 HG2 GLU 54 HG2 GLU 54 -0.131 3.463 2.028 284 HG3 GLU 54 HG3 GLU 54 -0.742 3.769 0.399 285 H CYS 55 H CYS 55 -4.916 3.228 0.550 286 HA CYS 55 HA CYS 55 -4.119 1.875 -1.838 287 HB2 CYS 55 HB2 CYS 55 -6.366 3.891 -1.643 288 HB3 CYS 55 HB3 CYS 55 -6.184 2.575 -2.787 289 H LYS 56 H LYS 56 -3.058 2.731 -3.591 290 HA LYS 56 HA LYS 56 -2.382 5.564 -3.411 291 HB2 LYS 56 HB2 LYS 56 -0.543 4.066 -2.418 292 HB3 LYS 56 HB3 LYS 56 -0.277 3.510 -4.064 293 HG2 LYS 56 HG2 LYS 56 1.281 5.278 -3.412 294 HG3 LYS 56 HG3 LYS 56 0.264 5.760 -4.770 295 HD2 LYS 56 HD2 LYS 56 0.573 7.519 -3.015 296 HD3 LYS 56 HD3 LYS 56 -1.105 7.114 -3.360 297 HE2 LYS 56 HE2 LYS 56 -1.218 5.732 -1.396 298 HE3 LYS 56 HE3 LYS 56 0.488 5.967 -1.060 299 HZ1 LYS 56 HZ1 LYS 56 -1.592 8.086 -1.013 300 HZ2 LYS 56 HZ2 LYS 56 0.052 8.318 -0.697 301 HZ3 LYS 56 HZ3 LYS 56 -0.881 7.357 0.344 302 H THR 57 H THR 57 -1.998 6.478 -5.503 303 HA THR 57 HA THR 57 -3.554 5.146 -7.528 304 HB THR 57 HB THR 57 -3.222 7.096 -8.867 305 HG1 THR 57 HG1 THR 57 -1.819 8.812 -7.943 306 HG21 THR 57 HG21 THR 57 -3.563 7.924 -5.986 307 HG22 THR 57 HG22 THR 57 -4.839 7.329 -7.047 308 HG23 THR 57 HG23 THR 57 -4.050 8.867 -7.394 309 H VAL 58 H VAL 58 -2.743 4.416 -9.509 310 HA VAL 58 HA VAL 58 -0.657 2.669 -9.287 311 HB VAL 58 HB VAL 58 -1.522 3.917 -11.914 312 HG11 VAL 58 HG11 VAL 58 0.455 2.500 -12.085 313 HG12 VAL 58 HG12 VAL 58 -0.932 1.749 -12.873 314 HG13 VAL 58 HG13 VAL 58 -0.409 1.185 -11.286 315 HG21 VAL 58 HG21 VAL 58 -3.202 2.121 -12.019 316 HG22 VAL 58 HG22 VAL 58 -3.491 3.238 -10.685 317 HG23 VAL 58 HG23 VAL 58 -2.782 1.654 -10.371 318 H GLN 59 H GLN 59 -0.466 5.761 -11.159 319 HA GLN 59 HA GLN 59 2.106 5.613 -11.832 320 HB2 GLN 59 HB2 GLN 59 1.900 7.917 -12.337 321 HB3 GLN 59 HB3 GLN 59 0.359 7.184 -12.632 322 HG2 GLN 59 HG2 GLN 59 -0.535 8.103 -10.616 323 HG3 GLN 59 HG3 GLN 59 1.050 8.708 -10.132 324 HE21 GLN 59 HE21 GLN 59 1.883 10.527 -11.130 325 HE22 GLN 59 HE22 GLN 59 0.900 11.588 -12.078 326 H GLN 60 H GLN 60 0.820 7.028 -8.841 327 HA GLN 60 HA GLN 60 3.362 8.154 -8.069 328 HB2 GLN 60 HB2 GLN 60 0.912 7.681 -6.345 329 HB3 GLN 60 HB3 GLN 60 2.255 8.757 -6.000 330 HG2 GLN 60 HG2 GLN 60 0.761 9.271 -8.493 331 HG3 GLN 60 HG3 GLN 60 -0.091 9.574 -6.985 332 HE21 GLN 60 HE21 GLN 60 3.371 10.010 -7.537 333 HE22 GLN 60 HE22 GLN 60 3.353 11.722 -7.324 334 H CYS 61 H CYS 61 1.534 5.196 -7.543 335 HA CYS 61 HA CYS 61 2.978 4.347 -5.208 336 HB2 CYS 61 HB2 CYS 61 1.768 2.379 -5.340 337 HB3 CYS 61 HB3 CYS 61 0.696 3.447 -6.242 338 H ALA 62 H ALA 62 3.359 3.878 -8.718 339 HA ALA 62 HA ALA 62 5.514 2.172 -8.627 340 HB1 ALA 62 HB1 ALA 62 4.310 2.753 -10.682 341 HB2 ALA 62 HB2 ALA 62 6.053 2.953 -10.875 342 HB3 ALA 62 HB3 ALA 62 5.023 4.367 -10.639 343 H GLU 63 H GLU 63 5.551 5.718 -8.752 344 HA GLU 63 HA GLU 63 8.342 5.921 -8.626 345 HB2 GLU 63 HB2 GLU 63 8.017 8.233 -8.621 346 HB3 GLU 63 HB3 GLU 63 6.625 7.591 -9.483 347 HG2 GLU 63 HG2 GLU 63 5.373 7.706 -7.326 348 HG3 GLU 63 HG3 GLU 63 6.745 8.612 -6.698 349 H VAL 64 H VAL 64 5.920 6.326 -6.014 350 HA VAL 64 HA VAL 64 7.709 6.614 -4.009 351 HB VAL 64 HB VAL 64 5.870 6.162 -2.587 352 HG11 VAL 64 HG11 VAL 64 4.162 7.637 -3.425 353 HG12 VAL 64 HG12 VAL 64 4.834 7.469 -5.049 354 HG13 VAL 64 HG13 VAL 64 5.776 8.256 -3.778 355 HG21 VAL 64 HG21 VAL 64 5.064 4.129 -3.304 356 HG22 VAL 64 HG22 VAL 64 4.667 4.795 -4.884 357 HG23 VAL 64 HG23 VAL 64 3.731 5.278 -3.462 358 H LEU 65 H LEU 65 6.722 3.751 -5.671 359 HA LEU 65 HA LEU 65 7.444 1.808 -3.733 360 HB2 LEU 65 HB2 LEU 65 6.153 1.280 -5.779 361 HB3 LEU 65 HB3 LEU 65 7.563 1.651 -6.750 362 HG LEU 65 HG LEU 65 8.769 -0.219 -5.667 363 HD11 LEU 65 HD11 LEU 65 7.566 -0.270 -3.567 364 HD12 LEU 65 HD12 LEU 65 7.485 -1.842 -4.362 365 HD13 LEU 65 HD13 LEU 65 6.092 -0.760 -4.402 366 HD21 LEU 65 HD21 LEU 65 6.145 -0.945 -6.955 367 HD22 LEU 65 HD22 LEU 65 7.534 -2.018 -6.774 368 HD23 LEU 65 HD23 LEU 65 7.656 -0.581 -7.790 369 H GLU 66 H GLU 66 9.171 3.252 -6.478 370 HA GLU 66 HA GLU 66 11.571 1.995 -5.822 371 HB2 GLU 66 HB2 GLU 66 11.149 4.423 -7.563 372 HB3 GLU 66 HB3 GLU 66 12.591 3.417 -7.548 373 HG2 GLU 66 HG2 GLU 66 11.294 1.520 -8.343 374 HG3 GLU 66 HG3 GLU 66 9.831 2.503 -8.327 375 H GLU 67 H GLU 67 10.268 4.984 -4.660 376 HA GLU 67 HA GLU 67 12.761 6.207 -4.031 377 HB2 GLU 67 HB2 GLU 67 11.447 7.741 -2.702 378 HB3 GLU 67 HB3 GLU 67 10.641 7.463 -4.247 379 HG2 GLU 67 HG2 GLU 67 9.184 5.913 -3.282 380 HG3 GLU 67 HG3 GLU 67 10.013 6.021 -1.740 381 H VAL 68 H VAL 68 10.341 4.399 -2.121 382 HA VAL 68 HA VAL 68 12.060 4.173 0.081 383 HB VAL 68 HB VAL 68 10.430 2.584 1.016 384 HG11 VAL 68 HG11 VAL 68 8.504 4.116 1.033 385 HG12 VAL 68 HG12 VAL 68 9.222 5.009 -0.308 386 HG13 VAL 68 HG13 VAL 68 10.036 4.960 1.254 387 HG21 VAL 68 HG21 VAL 68 8.403 2.015 -0.220 388 HG22 VAL 68 HG22 VAL 68 9.837 1.379 -1.026 389 HG23 VAL 68 HG23 VAL 68 9.042 2.823 -1.652 390 H THR 69 H THR 69 11.436 1.878 -2.574 391 HA THR 69 HA THR 69 12.867 -0.189 -1.407 392 HB THR 69 HB THR 69 13.027 -1.130 -3.729 393 HG1 THR 69 HG1 THR 69 11.280 0.895 -4.562 394 HG21 THR 69 HG21 THR 69 10.329 -0.225 -2.751 395 HG22 THR 69 HG22 THR 69 11.176 -1.698 -2.279 396 HG23 THR 69 HG23 THR 69 10.602 -1.502 -3.936 397 H ALA 70 H ALA 70 13.990 2.474 -3.422 398 HA ALA 70 HA ALA 70 16.592 1.590 -3.734 399 HB1 ALA 70 HB1 ALA 70 15.654 4.443 -3.434 400 HB2 ALA 70 HB2 ALA 70 15.678 3.515 -4.932 401 HB3 ALA 70 HB3 ALA 70 17.192 3.929 -4.128 402 H ILE 71 H ILE 71 15.002 2.729 -0.928 403 HA ILE 71 HA ILE 71 17.426 3.346 0.551 404 HB ILE 71 HB ILE 71 14.671 2.943 1.723 405 HG12 ILE 71 HG12 ILE 71 15.818 5.515 0.617 406 HG13 ILE 71 HG13 ILE 71 14.550 4.568 -0.149 407 HG21 ILE 71 HG21 ILE 71 17.050 4.576 2.606 408 HG22 ILE 71 HG22 ILE 71 16.499 3.060 3.318 409 HG23 ILE 71 HG23 ILE 71 15.494 4.504 3.434 410 HD11 ILE 71 HD11 ILE 71 13.634 6.480 1.029 411 HD12 ILE 71 HD12 ILE 71 14.364 5.919 2.534 412 HD13 ILE 71 HD13 ILE 71 13.091 4.970 1.764 413 H GLY 72 H GLY 72 15.747 0.609 -0.403 414 HA2 GLY 72 HA2 GLY 72 16.364 -1.565 0.116 415 HA3 GLY 72 HA3 GLY 72 17.021 -0.995 1.645 416 H TYR 73 H TYR 73 13.911 0.199 1.061 417 HA TYR 73 HA TYR 73 12.884 -1.533 3.155 418 HB2 TYR 73 HB2 TYR 73 11.937 1.059 1.963 419 HB3 TYR 73 HB3 TYR 73 10.915 0.097 3.017 420 HD1 TYR 73 HD1 TYR 73 12.471 -0.792 5.167 421 HD2 TYR 73 HD2 TYR 73 12.839 2.881 3.054 422 HE1 TYR 73 HE1 TYR 73 13.516 0.229 7.141 423 HE2 TYR 73 HE2 TYR 73 13.887 3.913 5.025 424 HH TYR 73 HH TYR 73 13.998 3.591 7.434 425 HA PRO 74 HA PRO 74 10.740 -4.261 0.298 426 HB2 PRO 74 HB2 PRO 74 9.278 -4.571 2.900 427 HB3 PRO 74 HB3 PRO 74 9.833 -5.816 1.789 428 HG2 PRO 74 HG2 PRO 74 11.199 -5.391 3.971 429 HG3 PRO 74 HG3 PRO 74 12.065 -5.575 2.432 430 HD2 PRO 74 HD2 PRO 74 11.451 -3.086 3.970 431 HD3 PRO 74 HD3 PRO 74 12.928 -3.542 3.101 432 H ALA 75 H ALA 75 9.292 -3.292 -1.094 433 HA ALA 75 HA ALA 75 6.710 -2.497 0.067 434 HB1 ALA 75 HB1 ALA 75 8.293 -0.862 -1.913 435 HB2 ALA 75 HB2 ALA 75 8.118 -0.504 -0.192 436 HB3 ALA 75 HB3 ALA 75 6.707 -0.462 -1.251 437 H LYS 76 H LYS 76 4.935 -2.425 -1.403 438 HA LYS 76 HA LYS 76 5.341 -3.128 -4.178 439 HB2 LYS 76 HB2 LYS 76 3.798 -5.017 -4.207 440 HB3 LYS 76 HB3 LYS 76 5.170 -5.362 -3.187 441 HG2 LYS 76 HG2 LYS 76 3.807 -4.898 -1.196 442 HG3 LYS 76 HG3 LYS 76 2.422 -4.582 -2.246 443 HD2 LYS 76 HD2 LYS 76 2.771 -6.915 -3.179 444 HD3 LYS 76 HD3 LYS 76 3.895 -7.183 -1.847 445 HE2 LYS 76 HE2 LYS 76 1.014 -6.365 -1.502 446 HE3 LYS 76 HE3 LYS 76 1.579 -8.029 -1.446 447 HZ1 LYS 76 HZ1 LYS 76 2.459 -5.870 0.392 448 HZ2 LYS 76 HZ2 LYS 76 2.933 -7.496 0.469 449 HZ3 LYS 76 HZ3 LYS 76 1.324 -7.066 0.766 450 H CYS 77 H CYS 77 3.757 -2.211 -5.475 451 HA CYS 77 HA CYS 77 1.149 -1.805 -4.190 452 HB2 CYS 77 HB2 CYS 77 0.736 0.087 -5.688 453 HB3 CYS 77 HB3 CYS 77 2.111 0.379 -4.648 454 H CYS 78 H CYS 78 0.524 -3.899 -4.904 455 HA CYS 78 HA CYS 78 0.177 -4.180 -7.743 456 HB2 CYS 78 HB2 CYS 78 -0.692 -6.465 -7.021 457 HB3 CYS 78 HB3 CYS 78 0.979 -6.096 -6.601 458 H CYS 79 H CYS 79 -2.026 -5.374 -8.384 459 HA CYS 79 HA CYS 79 -4.114 -3.512 -7.501 460 HB2 CYS 79 HB2 CYS 79 -5.071 -3.737 -9.824 461 HB3 CYS 79 HB3 CYS 79 -3.563 -2.837 -9.720 462 HG CYS 79 HG CYS 79 -3.732 -6.127 -10.645 463 H GLU 80 H GLU 80 -5.273 -4.699 -6.197 464 HA GLU 80 HA GLU 80 -7.060 -6.691 -7.003 465 HB2 GLU 80 HB2 GLU 80 -5.236 -8.231 -7.218 466 HB3 GLU 80 HB3 GLU 80 -4.477 -7.659 -5.747 467 HG2 GLU 80 HG2 GLU 80 -6.762 -8.548 -4.703 468 HG3 GLU 80 HG3 GLU 80 -6.683 -9.586 -6.126 469 H ASP 81 H ASP 81 -8.388 -7.323 -5.103 470 HA ASP 81 HA ASP 81 -8.428 -5.240 -3.107 471 HB2 ASP 81 HB2 ASP 81 -9.951 -7.850 -3.256 472 HB3 ASP 81 HB3 ASP 81 -10.129 -6.674 -1.957 473 H LEU 82 H LEU 82 -7.666 -5.357 -1.106 474 HA LEU 82 HA LEU 82 -6.350 -5.987 0.630 475 HB2 LEU 82 HB2 LEU 82 -7.062 -8.824 -0.114 476 HB3 LEU 82 HB3 LEU 82 -6.656 -8.208 1.470 477 HG LEU 82 HG LEU 82 -8.893 -8.394 1.733 478 HD11 LEU 82 HD11 LEU 82 -8.485 -6.054 2.064 479 HD12 LEU 82 HD12 LEU 82 -10.103 -6.322 1.417 480 HD13 LEU 82 HD13 LEU 82 -8.814 -5.747 0.359 481 HD21 LEU 82 HD21 LEU 82 -9.197 -7.998 -1.189 482 HD22 LEU 82 HD22 LEU 82 -10.566 -8.089 -0.083 483 HD23 LEU 82 HD23 LEU 82 -9.468 -9.459 -0.242 484 H CYS 83 H CYS 83 -5.337 -6.240 -2.327 485 HA CYS 83 HA CYS 83 -3.307 -8.106 -2.293 486 HB2 CYS 83 HB2 CYS 83 -4.259 -6.769 -4.265 487 HB3 CYS 83 HB3 CYS 83 -3.094 -5.527 -3.828 488 H ASN 84 H ASN 84 -3.370 -4.953 -0.876 489 HA ASN 84 HA ASN 84 -0.451 -4.861 -0.680 490 HB2 ASN 84 HB2 ASN 84 -0.642 -2.645 0.141 491 HB3 ASN 84 HB3 ASN 84 -1.752 -2.758 -1.217 492 HD21 ASN 84 HD21 ASN 84 -1.656 -0.959 1.074 493 HD22 ASN 84 HD22 ASN 84 -3.207 -1.078 1.845 494 H ARG 85 H ARG 85 -2.101 -6.912 0.559 495 HA ARG 85 HA ARG 85 -2.606 -6.392 3.298 496 HB2 ARG 85 HB2 ARG 85 -3.144 -8.638 3.498 497 HB3 ARG 85 HB3 ARG 85 -3.441 -8.355 1.792 498 HG2 ARG 85 HG2 ARG 85 -0.941 -9.595 2.929 499 HG3 ARG 85 HG3 ARG 85 -2.297 -10.488 2.247 500 HD2 ARG 85 HD2 ARG 85 -0.714 -8.436 0.713 501 HD3 ARG 85 HD3 ARG 85 -0.319 -10.151 0.725 502 HE ARG 85 HE ARG 85 -2.980 -9.255 -0.177 503 HH11 ARG 85 HH11 ARG 85 0.082 -10.831 -0.765 504 HH12 ARG 85 HH12 ARG 85 -0.369 -11.439 -2.323 505 HH21 ARG 85 HH21 ARG 85 -3.601 -10.055 -2.278 506 HH22 ARG 85 HH22 ARG 85 -2.459 -10.999 -3.178 507 H SER 86 H SER 86 -1.381 -7.749 5.024 508 HA SER 86 HA SER 86 1.367 -6.786 4.819 509 HB2 SER 86 HB2 SER 86 0.210 -6.016 6.814 510 HB3 SER 86 HB3 SER 86 -0.254 -7.669 7.218 511 HG SER 86 HG SER 86 2.265 -6.412 7.385 512 H GLU 87 H GLU 87 2.935 -8.213 4.472 513 HA GLU 87 HA GLU 87 2.484 -10.996 4.458 514 HB2 GLU 87 HB2 GLU 87 4.868 -9.221 4.110 515 HB3 GLU 87 HB3 GLU 87 5.122 -10.942 4.346 516 HG2 GLU 87 HG2 GLU 87 5.139 -10.403 2.010 517 HG3 GLU 87 HG3 GLU 87 3.747 -11.412 2.379 518 H GLN 88 H GLN 88 2.700 -9.047 7.057 519 HA GLN 88 HA GLN 88 4.636 -10.533 8.649 520 HB2 GLN 88 HB2 GLN 88 4.335 -8.061 8.926 521 HB3 GLN 88 HB3 GLN 88 2.710 -8.373 9.522 522 HG2 GLN 88 HG2 GLN 88 3.673 -9.712 11.353 523 HG3 GLN 88 HG3 GLN 88 5.284 -9.298 10.774 524 HE21 GLN 88 HE21 GLN 88 4.363 -6.569 10.040 525 HE22 GLN 88 HE22 GLN 88 4.278 -5.712 11.534 Start of MODEL 6 1 H MET 18 H MET 18 -11.913 3.401 -12.790 2 HA MET 18 HA MET 18 -13.316 2.409 -10.933 3 HB2 MET 18 HB2 MET 18 -10.771 1.088 -11.900 4 HB3 MET 18 HB3 MET 18 -12.070 0.233 -11.082 5 HG2 MET 18 HG2 MET 18 -12.284 -0.132 -13.424 6 HG3 MET 18 HG3 MET 18 -13.601 0.919 -12.906 7 HE1 MET 18 HE1 MET 18 -14.105 1.583 -15.411 8 HE2 MET 18 HE2 MET 18 -12.797 0.542 -15.974 9 HE3 MET 18 HE3 MET 18 -12.895 2.214 -16.527 10 H ALA 19 H ALA 19 -13.427 2.048 -8.769 11 HA ALA 19 HA ALA 19 -11.190 3.038 -7.163 12 HB1 ALA 19 HB1 ALA 19 -12.756 2.998 -5.293 13 HB2 ALA 19 HB2 ALA 19 -13.995 2.293 -6.332 14 HB3 ALA 19 HB3 ALA 19 -13.411 3.928 -6.640 15 H LEU 20 H LEU 20 -10.576 1.735 -5.247 16 HA LEU 20 HA LEU 20 -10.997 -1.130 -5.581 17 HB2 LEU 20 HB2 LEU 20 -8.897 -0.500 -6.820 18 HB3 LEU 20 HB3 LEU 20 -8.228 0.046 -5.297 19 HG LEU 20 HG LEU 20 -8.392 -2.253 -4.410 20 HD11 LEU 20 HD11 LEU 20 -10.268 -3.037 -5.752 21 HD12 LEU 20 HD12 LEU 20 -8.875 -4.103 -5.932 22 HD13 LEU 20 HD13 LEU 20 -9.275 -2.953 -7.208 23 HD21 LEU 20 HD21 LEU 20 -6.900 -1.992 -7.018 24 HD22 LEU 20 HD22 LEU 20 -6.595 -3.211 -5.781 25 HD23 LEU 20 HD23 LEU 20 -6.319 -1.506 -5.426 26 H LYS 21 H LYS 21 -10.185 -2.322 -3.601 27 HA LYS 21 HA LYS 21 -10.427 -0.586 -1.230 28 HB2 LYS 21 HB2 LYS 21 -11.191 -3.463 -1.676 29 HB3 LYS 21 HB3 LYS 21 -11.076 -2.755 -0.074 30 HG2 LYS 21 HG2 LYS 21 -12.952 -1.482 -0.346 31 HG3 LYS 21 HG3 LYS 21 -12.776 -1.402 -2.102 32 HD2 LYS 21 HD2 LYS 21 -14.671 -2.829 -1.286 33 HD3 LYS 21 HD3 LYS 21 -13.533 -3.641 -2.359 34 HE2 LYS 21 HE2 LYS 21 -12.386 -4.335 -0.119 35 HE3 LYS 21 HE3 LYS 21 -13.974 -3.986 0.566 36 HZ1 LYS 21 HZ1 LYS 21 -14.950 -5.555 -0.987 37 HZ2 LYS 21 HZ2 LYS 21 -13.751 -6.316 -0.071 38 HZ3 LYS 21 HZ3 LYS 21 -13.431 -5.868 -1.677 39 H CYS 22 H CYS 22 -8.411 -0.163 -0.556 40 HA CYS 22 HA CYS 22 -6.571 -2.442 -0.301 41 HB2 CYS 22 HB2 CYS 22 -5.709 0.453 -0.441 42 HB3 CYS 22 HB3 CYS 22 -4.686 -0.978 -0.499 43 H PHE 23 H PHE 23 -5.247 -2.322 1.697 44 HA PHE 23 HA PHE 23 -6.913 -1.501 3.935 45 HB2 PHE 23 HB2 PHE 23 -4.303 -2.973 3.698 46 HB3 PHE 23 HB3 PHE 23 -4.819 -2.305 5.240 47 HD1 PHE 23 HD1 PHE 23 -7.306 -2.945 5.902 48 HD2 PHE 23 HD2 PHE 23 -4.827 -5.152 3.240 49 HE1 PHE 23 HE1 PHE 23 -8.635 -4.966 6.349 50 HE2 PHE 23 HE2 PHE 23 -6.149 -7.178 3.685 51 HZ PHE 23 HZ PHE 23 -8.054 -7.088 5.242 52 H THR 24 H THR 24 -6.725 0.477 4.847 53 HA THR 24 HA THR 24 -4.171 1.867 4.566 54 HB THR 24 HB THR 24 -5.494 3.855 5.370 55 HG1 THR 24 HG1 THR 24 -7.167 2.478 6.361 56 HG21 THR 24 HG21 THR 24 -6.691 4.188 3.260 57 HG22 THR 24 HG22 THR 24 -6.552 2.466 2.904 58 HG23 THR 24 HG23 THR 24 -5.104 3.471 2.982 59 H ARG 25 H ARG 25 -2.841 2.105 6.313 60 HA ARG 25 HA ARG 25 -3.851 0.977 8.827 61 HB2 ARG 25 HB2 ARG 25 -1.872 -0.186 8.103 62 HB3 ARG 25 HB3 ARG 25 -1.014 1.330 7.857 63 HG2 ARG 25 HG2 ARG 25 -0.999 1.769 10.221 64 HG3 ARG 25 HG3 ARG 25 -2.007 0.354 10.526 65 HD2 ARG 25 HD2 ARG 25 -0.267 -1.127 9.887 66 HD3 ARG 25 HD3 ARG 25 0.707 0.193 9.237 67 HE ARG 25 HE ARG 25 1.092 0.936 11.494 68 HH11 ARG 25 HH11 ARG 25 -0.322 -2.249 11.189 69 HH12 ARG 25 HH12 ARG 25 0.083 -2.717 12.811 70 HH21 ARG 25 HH21 ARG 25 1.666 0.287 13.618 71 HH22 ARG 25 HH22 ARG 25 1.182 -1.286 14.187 72 H ASN 26 H ASN 26 -4.514 2.421 10.222 73 HA ASN 26 HA ASN 26 -3.164 5.040 10.296 74 HB2 ASN 26 HB2 ASN 26 -5.611 5.193 9.793 75 HB3 ASN 26 HB3 ASN 26 -5.940 4.409 11.336 76 HD21 ASN 26 HD21 ASN 26 -4.852 7.304 9.763 77 HD22 ASN 26 HD22 ASN 26 -4.939 8.332 11.148 78 H GLY 27 H GLY 27 -1.557 4.603 11.715 79 HA2 GLY 27 HA2 GLY 27 -0.707 4.528 13.908 80 HA3 GLY 27 HA3 GLY 27 -2.312 4.111 14.495 81 H ASP 28 H ASP 28 -3.125 1.939 13.744 82 HA ASP 28 HA ASP 28 -1.070 0.007 13.254 83 HB2 ASP 28 HB2 ASP 28 -1.023 0.100 15.737 84 HB3 ASP 28 HB3 ASP 28 -2.734 -0.326 15.763 85 H ASP 29 H ASP 29 -4.462 0.635 14.021 86 HA ASP 29 HA ASP 29 -5.620 -1.571 12.966 87 HB2 ASP 29 HB2 ASP 29 -6.967 0.102 14.078 88 HB3 ASP 29 HB3 ASP 29 -6.646 1.270 12.797 89 H ARG 30 H ARG 30 -6.658 -2.042 10.962 90 HA ARG 30 HA ARG 30 -5.408 -0.760 8.677 91 HB2 ARG 30 HB2 ARG 30 -5.187 -2.962 7.531 92 HB3 ARG 30 HB3 ARG 30 -4.107 -2.782 8.906 93 HG2 ARG 30 HG2 ARG 30 -5.960 -4.016 10.223 94 HG3 ARG 30 HG3 ARG 30 -6.533 -4.503 8.626 95 HD2 ARG 30 HD2 ARG 30 -5.098 -6.226 9.381 96 HD3 ARG 30 HD3 ARG 30 -4.198 -5.320 8.165 97 HE ARG 30 HE ARG 30 -3.820 -4.916 11.063 98 HH11 ARG 30 HH11 ARG 30 -2.549 -5.263 7.833 99 HH12 ARG 30 HH12 ARG 30 -0.887 -5.069 8.311 100 HH21 ARG 30 HH21 ARG 30 -1.633 -4.702 11.720 101 HH22 ARG 30 HH22 ARG 30 -0.363 -4.787 10.523 102 H THR 31 H THR 31 -7.156 0.213 7.892 103 HA THR 31 HA THR 31 -9.697 -1.113 8.045 104 HB THR 31 HB THR 31 -9.367 1.606 6.855 105 HG1 THR 31 HG1 THR 31 -8.949 0.958 9.624 106 HG21 THR 31 HG21 THR 31 -11.603 0.661 7.153 107 HG22 THR 31 HG22 THR 31 -11.370 2.060 8.199 108 HG23 THR 31 HG23 THR 31 -11.287 0.433 8.873 109 H VAL 32 H VAL 32 -11.011 -1.701 6.368 110 HA VAL 32 HA VAL 32 -9.872 -1.838 3.688 111 HB VAL 32 HB VAL 32 -12.513 -2.789 4.817 112 HG11 VAL 32 HG11 VAL 32 -12.949 -1.880 2.602 113 HG12 VAL 32 HG12 VAL 32 -13.042 -3.641 2.574 114 HG13 VAL 32 HG13 VAL 32 -11.615 -2.824 1.935 115 HG21 VAL 32 HG21 VAL 32 -10.607 -4.245 5.233 116 HG22 VAL 32 HG22 VAL 32 -10.223 -4.245 3.510 117 HG23 VAL 32 HG23 VAL 32 -11.720 -4.980 4.077 118 H THR 33 H THR 33 -9.763 0.249 2.934 119 HA THR 33 HA THR 33 -12.321 1.663 2.835 120 HB THR 33 HB THR 33 -10.924 3.683 2.384 121 HG1 THR 33 HG1 THR 33 -9.063 2.201 1.720 122 HG21 THR 33 HG21 THR 33 -11.702 3.189 4.647 123 HG22 THR 33 HG22 THR 33 -10.095 3.915 4.685 124 HG23 THR 33 HG23 THR 33 -10.284 2.178 4.924 125 H THR 34 H THR 34 -13.198 2.296 0.979 126 HA THR 34 HA THR 34 -12.097 1.307 -1.521 127 HB THR 34 HB THR 34 -14.455 1.116 -1.468 128 HG1 THR 34 HG1 THR 34 -13.731 3.470 -2.898 129 HG21 THR 34 HG21 THR 34 -14.941 2.519 0.433 130 HG22 THR 34 HG22 THR 34 -15.959 3.005 -0.925 131 HG23 THR 34 HG23 THR 34 -14.545 3.968 -0.490 132 H CYS 35 H CYS 35 -10.517 2.461 -2.376 133 HA CYS 35 HA CYS 35 -10.082 5.167 -1.542 134 HB2 CYS 35 HB2 CYS 35 -8.428 4.072 -3.740 135 HB3 CYS 35 HB3 CYS 35 -7.942 4.802 -2.223 136 H ALA 36 H ALA 36 -9.112 6.526 -3.711 137 HA ALA 36 HA ALA 36 -11.609 7.243 -4.999 138 HB1 ALA 36 HB1 ALA 36 -10.068 9.027 -4.317 139 HB2 ALA 36 HB2 ALA 36 -10.335 9.021 -6.061 140 HB3 ALA 36 HB3 ALA 36 -8.838 8.368 -5.396 141 H GLU 37 H GLU 37 -11.651 7.326 -7.411 142 HA GLU 37 HA GLU 37 -11.139 4.657 -8.170 143 HB2 GLU 37 HB2 GLU 37 -12.703 4.972 -9.797 144 HB3 GLU 37 HB3 GLU 37 -13.121 6.248 -8.669 145 HG2 GLU 37 HG2 GLU 37 -12.371 7.918 -10.045 146 HG3 GLU 37 HG3 GLU 37 -11.281 6.843 -10.928 147 H GLU 38 H GLU 38 -9.119 7.212 -8.397 148 HA GLU 38 HA GLU 38 -7.964 6.478 -10.963 149 HB2 GLU 38 HB2 GLU 38 -6.111 8.138 -9.921 150 HB3 GLU 38 HB3 GLU 38 -7.467 8.662 -10.909 151 HG2 GLU 38 HG2 GLU 38 -7.444 10.088 -9.061 152 HG3 GLU 38 HG3 GLU 38 -8.746 8.934 -8.777 153 H GLN 39 H GLN 39 -7.411 6.197 -7.522 154 HA GLN 39 HA GLN 39 -5.034 4.743 -7.764 155 HB2 GLN 39 HB2 GLN 39 -6.990 5.132 -5.515 156 HB3 GLN 39 HB3 GLN 39 -5.546 4.141 -5.326 157 HG2 GLN 39 HG2 GLN 39 -4.123 5.932 -5.519 158 HG3 GLN 39 HG3 GLN 39 -5.298 6.906 -6.400 159 HE21 GLN 39 HE21 GLN 39 -6.883 7.964 -5.297 160 HE22 GLN 39 HE22 GLN 39 -6.735 8.297 -3.599 161 H THR 40 H THR 40 -5.324 3.062 -9.182 162 HA THR 40 HA THR 40 -7.101 0.929 -8.402 163 HB THR 40 HB THR 40 -5.874 0.047 -10.658 164 HG1 THR 40 HG1 THR 40 -6.118 2.781 -11.230 165 HG21 THR 40 HG21 THR 40 -7.800 0.938 -11.875 166 HG22 THR 40 HG22 THR 40 -8.149 2.034 -10.538 167 HG23 THR 40 HG23 THR 40 -8.293 0.291 -10.310 168 H ARG 41 H ARG 41 -4.421 1.548 -7.024 169 HA ARG 41 HA ARG 41 -3.523 -1.188 -7.040 170 HB2 ARG 41 HB2 ARG 41 -1.506 1.067 -7.250 171 HB3 ARG 41 HB3 ARG 41 -1.137 -0.589 -6.834 172 HG2 ARG 41 HG2 ARG 41 -2.433 0.184 -9.408 173 HG3 ARG 41 HG3 ARG 41 -0.692 0.007 -9.195 174 HD2 ARG 41 HD2 ARG 41 -1.058 -2.313 -8.433 175 HD3 ARG 41 HD3 ARG 41 -2.779 -2.125 -8.767 176 HE ARG 41 HE ARG 41 -2.258 -1.971 -11.098 177 HH11 ARG 41 HH11 ARG 41 0.424 -2.899 -9.046 178 HH12 ARG 41 HH12 ARG 41 1.317 -3.645 -10.330 179 HH21 ARG 41 HH21 ARG 41 -1.083 -2.972 -12.802 180 HH22 ARG 41 HH22 ARG 41 0.457 -3.692 -12.469 181 H CYS 42 H CYS 42 -1.496 -0.867 -5.135 182 HA CYS 42 HA CYS 42 -2.900 0.100 -2.871 183 HB2 CYS 42 HB2 CYS 42 -2.496 -2.898 -3.067 184 HB3 CYS 42 HB3 CYS 42 -3.009 -2.028 -1.629 185 H LEU 43 H LEU 43 -1.461 0.641 -1.351 186 HA LEU 43 HA LEU 43 1.342 0.070 -1.987 187 HB2 LEU 43 HB2 LEU 43 0.214 2.402 -1.897 188 HB3 LEU 43 HB3 LEU 43 0.323 2.217 -0.155 189 HG LEU 43 HG LEU 43 2.190 3.410 -1.727 190 HD11 LEU 43 HD11 LEU 43 1.965 3.682 0.632 191 HD12 LEU 43 HD12 LEU 43 3.638 3.300 0.225 192 HD13 LEU 43 HD13 LEU 43 2.591 2.057 0.915 193 HD21 LEU 43 HD21 LEU 43 2.891 1.320 -2.762 194 HD22 LEU 43 HD22 LEU 43 3.199 0.624 -1.171 195 HD23 LEU 43 HD23 LEU 43 4.173 1.977 -1.745 196 H PHE 44 H PHE 44 2.417 -1.290 -0.708 197 HA PHE 44 HA PHE 44 2.060 -1.048 2.191 198 HB2 PHE 44 HB2 PHE 44 0.863 -3.062 1.749 199 HB3 PHE 44 HB3 PHE 44 2.081 -3.621 0.606 200 HD1 PHE 44 HD1 PHE 44 1.340 -3.128 4.199 201 HD2 PHE 44 HD2 PHE 44 4.013 -4.757 1.326 202 HE1 PHE 44 HE1 PHE 44 2.495 -4.387 5.979 203 HE2 PHE 44 HE2 PHE 44 5.166 -6.007 3.088 204 HZ PHE 44 HZ PHE 44 4.424 -5.836 5.415 205 H VAL 45 H VAL 45 3.946 -0.782 3.229 206 HA VAL 45 HA VAL 45 6.423 -1.414 1.760 207 HB VAL 45 HB VAL 45 6.009 1.021 3.515 208 HG11 VAL 45 HG11 VAL 45 8.193 1.729 2.651 209 HG12 VAL 45 HG12 VAL 45 8.337 0.203 1.780 210 HG13 VAL 45 HG13 VAL 45 8.297 0.212 3.542 211 HG21 VAL 45 HG21 VAL 45 6.142 2.342 1.447 212 HG22 VAL 45 HG22 VAL 45 4.744 1.266 1.440 213 HG23 VAL 45 HG23 VAL 45 6.180 0.854 0.503 214 H GLN 46 H GLN 46 8.128 -2.228 3.027 215 HA GLN 46 HA GLN 46 7.337 -3.520 5.499 216 HB2 GLN 46 HB2 GLN 46 10.063 -3.373 4.209 217 HB3 GLN 46 HB3 GLN 46 9.627 -4.395 5.560 218 HG2 GLN 46 HG2 GLN 46 8.849 -4.663 2.674 219 HG3 GLN 46 HG3 GLN 46 9.736 -5.769 3.705 220 HE21 GLN 46 HE21 GLN 46 7.901 -5.484 5.938 221 HE22 GLN 46 HE22 GLN 46 6.493 -6.404 5.517 222 H LEU 47 H LEU 47 7.951 -2.953 7.536 223 HA LEU 47 HA LEU 47 9.800 -0.725 7.858 224 HB2 LEU 47 HB2 LEU 47 7.010 -0.779 8.933 225 HB3 LEU 47 HB3 LEU 47 8.273 -0.041 9.891 226 HG LEU 47 HG LEU 47 7.100 1.661 8.673 227 HD11 LEU 47 HD11 LEU 47 8.946 2.690 7.435 228 HD12 LEU 47 HD12 LEU 47 9.814 1.153 7.465 229 HD13 LEU 47 HD13 LEU 47 9.480 2.008 8.971 230 HD21 LEU 47 HD21 LEU 47 7.093 1.723 6.219 231 HD22 LEU 47 HD22 LEU 47 6.189 0.353 6.867 232 HD23 LEU 47 HD23 LEU 47 7.800 0.108 6.193 233 HA PRO 48 HA PRO 48 11.419 -3.522 10.886 234 HB2 PRO 48 HB2 PRO 48 12.799 -1.287 12.142 235 HB3 PRO 48 HB3 PRO 48 13.467 -2.615 11.193 236 HG2 PRO 48 HG2 PRO 48 13.416 -0.065 10.300 237 HG3 PRO 48 HG3 PRO 48 13.304 -1.461 9.216 238 HD2 PRO 48 HD2 PRO 48 11.123 0.315 10.255 239 HD3 PRO 48 HD3 PRO 48 11.366 -0.329 8.617 240 H TYR 49 H TYR 49 8.799 -2.443 11.626 241 HA TYR 49 HA TYR 49 8.714 -2.703 14.306 242 HB2 TYR 49 HB2 TYR 49 8.285 -0.377 15.160 243 HB3 TYR 49 HB3 TYR 49 9.954 -0.691 14.703 244 HD1 TYR 49 HD1 TYR 49 10.913 0.358 12.708 245 HD2 TYR 49 HD2 TYR 49 6.943 1.236 13.956 246 HE1 TYR 49 HE1 TYR 49 10.907 2.342 11.263 247 HE2 TYR 49 HE2 TYR 49 6.924 3.226 12.510 248 HH TYR 49 HH TYR 49 8.542 4.763 11.471 249 H SER 50 H SER 50 7.349 -1.416 11.440 250 HA SER 50 HA SER 50 4.727 -2.191 12.278 251 HB2 SER 50 HB2 SER 50 5.257 0.699 11.527 252 HB3 SER 50 HB3 SER 50 3.655 -0.022 11.676 253 HG SER 50 HG SER 50 5.085 -0.546 13.885 254 H GLU 51 H GLU 51 3.383 -0.864 10.110 255 HA GLU 51 HA GLU 51 4.906 -1.580 7.718 256 HB2 GLU 51 HB2 GLU 51 2.967 -2.894 6.906 257 HB3 GLU 51 HB3 GLU 51 3.673 -3.583 8.363 258 HG2 GLU 51 HG2 GLU 51 1.885 -2.312 9.642 259 HG3 GLU 51 HG3 GLU 51 1.115 -2.044 8.081 260 H ILE 52 H ILE 52 3.955 -0.718 5.752 261 HA ILE 52 HA ILE 52 2.312 1.665 6.298 262 HB ILE 52 HB ILE 52 4.281 1.182 4.056 263 HG12 ILE 52 HG12 ILE 52 4.074 3.352 6.142 264 HG13 ILE 52 HG13 ILE 52 5.201 2.011 6.188 265 HG21 ILE 52 HG21 ILE 52 2.297 3.436 4.347 266 HG22 ILE 52 HG22 ILE 52 2.273 2.178 3.111 267 HG23 ILE 52 HG23 ILE 52 3.587 3.354 3.147 268 HD11 ILE 52 HD11 ILE 52 6.277 2.838 4.165 269 HD12 ILE 52 HD12 ILE 52 6.275 4.060 5.436 270 HD13 ILE 52 HD13 ILE 52 5.129 4.175 4.100 271 H GLN 53 H GLN 53 0.431 1.902 5.105 272 HA GLN 53 HA GLN 53 -0.243 -0.018 3.145 273 HB2 GLN 53 HB2 GLN 53 -2.031 0.126 5.589 274 HB3 GLN 53 HB3 GLN 53 -2.325 -0.815 4.134 275 HG2 GLN 53 HG2 GLN 53 -0.223 -2.091 4.670 276 HG3 GLN 53 HG3 GLN 53 -0.220 -1.268 6.230 277 HE21 GLN 53 HE21 GLN 53 -1.712 -3.667 4.253 278 HE22 GLN 53 HE22 GLN 53 -2.737 -4.332 5.474 279 H GLU 54 H GLU 54 -1.273 1.124 1.645 280 HA GLU 54 HA GLU 54 -3.028 3.353 2.249 281 HB2 GLU 54 HB2 GLU 54 -1.001 4.460 2.638 282 HB3 GLU 54 HB3 GLU 54 -0.136 3.515 1.443 283 HG2 GLU 54 HG2 GLU 54 -0.256 5.673 0.606 284 HG3 GLU 54 HG3 GLU 54 -1.422 4.718 -0.305 285 H CYS 55 H CYS 55 -3.779 4.384 0.191 286 HA CYS 55 HA CYS 55 -3.837 2.409 -2.017 287 HB2 CYS 55 HB2 CYS 55 -5.656 4.807 -1.582 288 HB3 CYS 55 HB3 CYS 55 -5.791 3.625 -2.871 289 H LYS 56 H LYS 56 -3.143 3.085 -4.044 290 HA LYS 56 HA LYS 56 -2.323 5.809 -4.434 291 HB2 LYS 56 HB2 LYS 56 -0.257 3.581 -4.418 292 HB3 LYS 56 HB3 LYS 56 0.019 5.123 -5.203 293 HG2 LYS 56 HG2 LYS 56 -0.483 4.693 -2.269 294 HG3 LYS 56 HG3 LYS 56 1.073 5.048 -3.026 295 HD2 LYS 56 HD2 LYS 56 0.425 7.235 -3.582 296 HD3 LYS 56 HD3 LYS 56 -1.285 6.878 -3.332 297 HE2 LYS 56 HE2 LYS 56 -0.250 6.301 -0.892 298 HE3 LYS 56 HE3 LYS 56 0.782 7.634 -1.394 299 HZ1 LYS 56 HZ1 LYS 56 -2.170 7.775 -1.558 300 HZ2 LYS 56 HZ2 LYS 56 -1.063 9.057 -1.585 301 HZ3 LYS 56 HZ3 LYS 56 -1.338 8.198 -0.144 302 H THR 57 H THR 57 -1.904 6.244 -6.698 303 HA THR 57 HA THR 57 -3.471 4.576 -8.456 304 HB THR 57 HB THR 57 -2.873 6.152 -10.206 305 HG1 THR 57 HG1 THR 57 -1.482 7.929 -8.665 306 HG21 THR 57 HG21 THR 57 -3.753 8.231 -9.251 307 HG22 THR 57 HG22 THR 57 -3.498 7.590 -7.628 308 HG23 THR 57 HG23 THR 57 -4.671 6.829 -8.702 309 H VAL 58 H VAL 58 -2.600 3.371 -10.214 310 HA VAL 58 HA VAL 58 -0.557 1.717 -9.680 311 HB VAL 58 HB VAL 58 -0.996 2.688 -12.530 312 HG11 VAL 58 HG11 VAL 58 -0.155 0.013 -11.425 313 HG12 VAL 58 HG12 VAL 58 0.883 1.182 -12.239 314 HG13 VAL 58 HG13 VAL 58 -0.414 0.386 -13.129 315 HG21 VAL 58 HG21 VAL 58 -3.171 2.204 -11.449 316 HG22 VAL 58 HG22 VAL 58 -2.601 0.572 -11.108 317 HG23 VAL 58 HG23 VAL 58 -2.789 1.107 -12.774 318 H GLN 59 H GLN 59 -0.236 4.794 -11.473 319 HA GLN 59 HA GLN 59 2.532 4.505 -12.112 320 HB2 GLN 59 HB2 GLN 59 1.412 6.018 -13.498 321 HB3 GLN 59 HB3 GLN 59 0.587 6.791 -12.148 322 HG2 GLN 59 HG2 GLN 59 2.863 7.599 -11.388 323 HG3 GLN 59 HG3 GLN 59 3.465 7.067 -12.959 324 HE21 GLN 59 HE21 GLN 59 3.287 9.723 -11.717 325 HE22 GLN 59 HE22 GLN 59 2.412 10.698 -12.856 326 H GLN 60 H GLN 60 0.874 6.704 -9.840 327 HA GLN 60 HA GLN 60 3.184 7.634 -8.645 328 HB2 GLN 60 HB2 GLN 60 0.405 7.401 -7.469 329 HB3 GLN 60 HB3 GLN 60 1.713 8.324 -6.742 330 HG2 GLN 60 HG2 GLN 60 1.762 9.842 -8.574 331 HG3 GLN 60 HG3 GLN 60 0.651 8.838 -9.505 332 HE21 GLN 60 HE21 GLN 60 0.426 11.632 -8.666 333 HE22 GLN 60 HE22 GLN 60 -1.049 11.737 -7.771 334 H CYS 61 H CYS 61 1.344 4.759 -7.965 335 HA CYS 61 HA CYS 61 2.604 4.169 -5.486 336 HB2 CYS 61 HB2 CYS 61 0.431 3.201 -6.565 337 HB3 CYS 61 HB3 CYS 61 1.517 2.092 -7.383 338 H ALA 62 H ALA 62 3.446 3.596 -8.848 339 HA ALA 62 HA ALA 62 5.643 1.808 -8.260 340 HB1 ALA 62 HB1 ALA 62 6.271 2.146 -10.596 341 HB2 ALA 62 HB2 ALA 62 5.054 3.415 -10.749 342 HB3 ALA 62 HB3 ALA 62 4.558 1.748 -10.457 343 H GLU 63 H GLU 63 5.154 5.246 -8.898 344 HA GLU 63 HA GLU 63 7.755 6.139 -8.705 345 HB2 GLU 63 HB2 GLU 63 5.149 7.432 -7.883 346 HB3 GLU 63 HB3 GLU 63 6.663 8.304 -7.957 347 HG2 GLU 63 HG2 GLU 63 6.835 7.782 -10.348 348 HG3 GLU 63 HG3 GLU 63 5.290 6.941 -10.256 349 H VAL 64 H VAL 64 5.368 6.168 -6.051 350 HA VAL 64 HA VAL 64 7.084 6.628 -4.034 351 HB VAL 64 HB VAL 64 5.264 6.011 -2.639 352 HG11 VAL 64 HG11 VAL 64 3.455 7.327 -3.548 353 HG12 VAL 64 HG12 VAL 64 4.207 7.224 -5.144 354 HG13 VAL 64 HG13 VAL 64 5.021 8.088 -3.836 355 HG21 VAL 64 HG21 VAL 64 4.256 4.532 -4.964 356 HG22 VAL 64 HG22 VAL 64 3.234 4.950 -3.586 357 HG23 VAL 64 HG23 VAL 64 4.647 3.916 -3.362 358 H LEU 65 H LEU 65 6.162 3.496 -5.428 359 HA LEU 65 HA LEU 65 7.337 1.823 -3.651 360 HB2 LEU 65 HB2 LEU 65 6.310 1.463 -6.097 361 HB3 LEU 65 HB3 LEU 65 8.005 1.357 -6.514 362 HG LEU 65 HG LEU 65 7.311 -0.853 -6.200 363 HD11 LEU 65 HD11 LEU 65 8.458 -1.667 -4.212 364 HD12 LEU 65 HD12 LEU 65 8.623 0.004 -3.667 365 HD13 LEU 65 HD13 LEU 65 9.405 -0.520 -5.158 366 HD21 LEU 65 HD21 LEU 65 5.170 -0.405 -5.157 367 HD22 LEU 65 HD22 LEU 65 5.984 0.004 -3.647 368 HD23 LEU 65 HD23 LEU 65 6.051 -1.646 -4.268 369 H GLU 66 H GLU 66 8.951 3.538 -6.308 370 HA GLU 66 HA GLU 66 11.474 2.504 -5.633 371 HB2 GLU 66 HB2 GLU 66 10.813 3.257 -7.920 372 HB3 GLU 66 HB3 GLU 66 10.918 4.917 -7.346 373 HG2 GLU 66 HG2 GLU 66 12.924 4.277 -8.555 374 HG3 GLU 66 HG3 GLU 66 13.286 4.612 -6.862 375 H GLU 67 H GLU 67 9.786 5.314 -4.515 376 HA GLU 67 HA GLU 67 12.091 6.833 -3.809 377 HB2 GLU 67 HB2 GLU 67 10.558 8.191 -2.522 378 HB3 GLU 67 HB3 GLU 67 9.857 7.840 -4.102 379 HG2 GLU 67 HG2 GLU 67 8.565 6.096 -3.198 380 HG3 GLU 67 HG3 GLU 67 9.283 6.335 -1.616 381 H VAL 68 H VAL 68 9.867 4.682 -2.037 382 HA VAL 68 HA VAL 68 11.470 4.638 0.274 383 HB VAL 68 HB VAL 68 10.027 2.781 1.037 384 HG11 VAL 68 HG11 VAL 68 7.902 4.015 0.982 385 HG12 VAL 68 HG12 VAL 68 8.557 5.061 -0.279 386 HG13 VAL 68 HG13 VAL 68 9.276 5.064 1.331 387 HG21 VAL 68 HG21 VAL 68 9.721 1.559 -1.044 388 HG22 VAL 68 HG22 VAL 68 8.842 2.916 -1.744 389 HG23 VAL 68 HG23 VAL 68 8.152 2.025 -0.388 390 H THR 69 H THR 69 11.330 2.478 -2.497 391 HA THR 69 HA THR 69 12.820 0.401 -1.277 392 HB THR 69 HB THR 69 12.154 0.931 -4.174 393 HG1 THR 69 HG1 THR 69 10.301 0.512 -3.151 394 HG21 THR 69 HG21 THR 69 13.188 -1.599 -2.892 395 HG22 THR 69 HG22 THR 69 14.042 -0.610 -4.079 396 HG23 THR 69 HG23 THR 69 12.562 -1.461 -4.538 397 H ALA 70 H ALA 70 13.767 3.068 -3.448 398 HA ALA 70 HA ALA 70 16.419 2.434 -3.615 399 HB1 ALA 70 HB1 ALA 70 15.332 4.255 -4.869 400 HB2 ALA 70 HB2 ALA 70 16.841 4.769 -4.115 401 HB3 ALA 70 HB3 ALA 70 15.298 5.227 -3.398 402 H ILE 71 H ILE 71 14.702 3.536 -0.858 403 HA ILE 71 HA ILE 71 17.023 4.470 0.607 404 HB ILE 71 HB ILE 71 14.365 3.711 1.819 405 HG12 ILE 71 HG12 ILE 71 15.118 6.383 0.614 406 HG13 ILE 71 HG13 ILE 71 13.945 5.259 -0.055 407 HG21 ILE 71 HG21 ILE 71 16.201 4.118 3.367 408 HG22 ILE 71 HG22 ILE 71 14.979 5.383 3.498 409 HG23 ILE 71 HG23 ILE 71 16.484 5.697 2.633 410 HD11 ILE 71 HD11 ILE 71 13.732 6.702 2.576 411 HD12 ILE 71 HD12 ILE 71 12.567 5.533 1.955 412 HD13 ILE 71 HD13 ILE 71 12.828 7.055 1.103 413 H GLY 72 H GLY 72 15.585 1.475 -0.148 414 HA2 GLY 72 HA2 GLY 72 16.539 -0.555 0.519 415 HA3 GLY 72 HA3 GLY 72 17.023 0.190 2.036 416 H TYR 73 H TYR 73 13.858 1.010 1.313 417 HA TYR 73 HA TYR 73 12.859 -1.008 3.156 418 HB2 TYR 73 HB2 TYR 73 11.769 1.635 2.201 419 HB3 TYR 73 HB3 TYR 73 10.823 0.513 3.163 420 HD1 TYR 73 HD1 TYR 73 11.711 -0.140 5.459 421 HD2 TYR 73 HD2 TYR 73 13.261 3.128 3.219 422 HE1 TYR 73 HE1 TYR 73 12.679 0.799 7.514 423 HE2 TYR 73 HE2 TYR 73 14.235 4.076 5.267 424 HH TYR 73 HH TYR 73 14.546 2.341 8.131 425 HA PRO 74 HA PRO 74 11.333 -3.296 -0.469 426 HB2 PRO 74 HB2 PRO 74 10.212 -4.717 1.916 427 HB3 PRO 74 HB3 PRO 74 10.941 -5.389 0.462 428 HG2 PRO 74 HG2 PRO 74 12.350 -5.317 2.671 429 HG3 PRO 74 HG3 PRO 74 13.109 -4.829 1.141 430 HD2 PRO 74 HD2 PRO 74 12.082 -3.121 3.374 431 HD3 PRO 74 HD3 PRO 74 13.536 -2.925 2.377 432 H ALA 75 H ALA 75 9.560 -2.439 -1.488 433 HA ALA 75 HA ALA 75 7.045 -2.523 0.039 434 HB1 ALA 75 HB1 ALA 75 6.342 -0.551 -1.205 435 HB2 ALA 75 HB2 ALA 75 7.874 -0.544 -2.077 436 HB3 ALA 75 HB3 ALA 75 7.848 -0.247 -0.340 437 H LYS 76 H LYS 76 5.087 -2.602 -1.321 438 HA LYS 76 HA LYS 76 5.435 -3.930 -3.890 439 HB2 LYS 76 HB2 LYS 76 3.428 -5.459 -3.112 440 HB3 LYS 76 HB3 LYS 76 5.081 -5.937 -2.822 441 HG2 LYS 76 HG2 LYS 76 3.568 -4.407 -0.752 442 HG3 LYS 76 HG3 LYS 76 3.332 -6.147 -0.930 443 HD2 LYS 76 HD2 LYS 76 6.053 -4.907 -0.578 444 HD3 LYS 76 HD3 LYS 76 5.045 -5.377 0.790 445 HE2 LYS 76 HE2 LYS 76 4.972 -7.679 -0.111 446 HE3 LYS 76 HE3 LYS 76 6.073 -7.180 -1.395 447 HZ1 LYS 76 HZ1 LYS 76 7.744 -6.677 0.230 448 HZ2 LYS 76 HZ2 LYS 76 7.204 -8.259 0.489 449 HZ3 LYS 76 HZ3 LYS 76 6.685 -7.010 1.511 450 H CYS 77 H CYS 77 3.734 -3.560 -5.303 451 HA CYS 77 HA CYS 77 1.295 -2.369 -4.200 452 HB2 CYS 77 HB2 CYS 77 2.923 -0.636 -5.127 453 HB3 CYS 77 HB3 CYS 77 2.602 -1.325 -6.710 454 H CYS 78 H CYS 78 0.449 -4.533 -4.587 455 HA CYS 78 HA CYS 78 0.003 -5.141 -7.375 456 HB2 CYS 78 HB2 CYS 78 -1.028 -7.236 -6.380 457 HB3 CYS 78 HB3 CYS 78 0.676 -6.971 -6.018 458 H CYS 79 H CYS 79 -2.324 -6.127 -7.859 459 HA CYS 79 HA CYS 79 -4.172 -3.971 -7.119 460 HB2 CYS 79 HB2 CYS 79 -3.378 -3.728 -9.474 461 HB3 CYS 79 HB3 CYS 79 -4.026 -5.325 -9.822 462 HG CYS 79 HG CYS 79 -5.785 -2.498 -9.049 463 H GLU 80 H GLU 80 -5.519 -4.901 -5.773 464 HA GLU 80 HA GLU 80 -7.494 -6.711 -6.409 465 HB2 GLU 80 HB2 GLU 80 -5.719 -8.417 -6.604 466 HB3 GLU 80 HB3 GLU 80 -5.151 -8.026 -4.987 467 HG2 GLU 80 HG2 GLU 80 -6.442 -10.090 -5.026 468 HG3 GLU 80 HG3 GLU 80 -7.214 -8.856 -4.031 469 H ASP 81 H ASP 81 -8.808 -7.203 -4.431 470 HA ASP 81 HA ASP 81 -8.629 -5.031 -2.534 471 HB2 ASP 81 HB2 ASP 81 -10.314 -7.540 -2.532 472 HB3 ASP 81 HB3 ASP 81 -10.289 -6.411 -1.191 473 H LEU 82 H LEU 82 -7.638 -5.012 -0.644 474 HA LEU 82 HA LEU 82 -6.594 -5.671 1.267 475 HB2 LEU 82 HB2 LEU 82 -7.337 -8.527 0.643 476 HB3 LEU 82 HB3 LEU 82 -6.967 -7.834 2.204 477 HG LEU 82 HG LEU 82 -9.192 -7.929 2.469 478 HD11 LEU 82 HD11 LEU 82 -10.433 -5.941 1.844 479 HD12 LEU 82 HD12 LEU 82 -9.127 -5.486 0.748 480 HD13 LEU 82 HD13 LEU 82 -8.835 -5.557 2.485 481 HD21 LEU 82 HD21 LEU 82 -10.846 -7.958 0.636 482 HD22 LEU 82 HD22 LEU 82 -9.656 -9.258 0.589 483 HD23 LEU 82 HD23 LEU 82 -9.495 -7.880 -0.497 484 H CYS 83 H CYS 83 -5.556 -6.226 -1.694 485 HA CYS 83 HA CYS 83 -3.641 -8.186 -1.459 486 HB2 CYS 83 HB2 CYS 83 -4.540 -7.028 -3.566 487 HB3 CYS 83 HB3 CYS 83 -3.298 -5.814 -3.284 488 H ASN 84 H ASN 84 -3.470 -4.931 -0.302 489 HA ASN 84 HA ASN 84 -0.543 -4.974 -0.215 490 HB2 ASN 84 HB2 ASN 84 -0.639 -2.690 0.585 491 HB3 ASN 84 HB3 ASN 84 -1.590 -2.838 -0.886 492 HD21 ASN 84 HD21 ASN 84 -1.651 -0.901 1.310 493 HD22 ASN 84 HD22 ASN 84 -3.286 -0.890 1.892 494 H ARG 85 H ARG 85 -1.643 -6.970 1.160 495 HA ARG 85 HA ARG 85 -2.224 -6.303 3.928 496 HB2 ARG 85 HB2 ARG 85 -3.262 -8.257 2.720 497 HB3 ARG 85 HB3 ARG 85 -1.668 -8.993 2.650 498 HG2 ARG 85 HG2 ARG 85 -1.756 -8.645 5.256 499 HG3 ARG 85 HG3 ARG 85 -3.498 -8.633 4.964 500 HD2 ARG 85 HD2 ARG 85 -2.867 -10.883 5.443 501 HD3 ARG 85 HD3 ARG 85 -3.217 -10.785 3.718 502 HE ARG 85 HE ARG 85 -0.429 -10.424 4.444 503 HH11 ARG 85 HH11 ARG 85 -2.911 -12.674 3.422 504 HH12 ARG 85 HH12 ARG 85 -1.784 -13.855 2.850 505 HH21 ARG 85 HH21 ARG 85 1.059 -11.972 3.706 506 HH22 ARG 85 HH22 ARG 85 0.490 -13.456 3.017 507 H SER 86 H SER 86 -0.804 -7.075 5.656 508 HA SER 86 HA SER 86 1.894 -6.662 5.354 509 HB2 SER 86 HB2 SER 86 2.043 -8.045 7.531 510 HB3 SER 86 HB3 SER 86 1.048 -6.590 7.551 511 HG SER 86 HG SER 86 0.023 -8.451 8.486 512 H GLU 87 H GLU 87 3.687 -8.139 5.414 513 HA GLU 87 HA GLU 87 3.518 -10.056 3.324 514 HB2 GLU 87 HB2 GLU 87 5.853 -10.519 3.805 515 HB3 GLU 87 HB3 GLU 87 5.568 -8.789 3.785 516 HG2 GLU 87 HG2 GLU 87 6.035 -10.549 6.179 517 HG3 GLU 87 HG3 GLU 87 7.060 -9.257 5.562 518 H GLN 88 H GLN 88 3.728 -10.341 6.861 519 HA GLN 88 HA GLN 88 3.576 -13.136 6.926 520 HB2 GLN 88 HB2 GLN 88 2.864 -12.799 9.303 521 HB3 GLN 88 HB3 GLN 88 4.317 -11.913 8.856 522 HG2 GLN 88 HG2 GLN 88 3.013 -9.875 8.605 523 HG3 GLN 88 HG3 GLN 88 1.542 -10.754 9.011 524 HE21 GLN 88 HE21 GLN 88 2.902 -8.462 10.289 525 HE22 GLN 88 HE22 GLN 88 3.130 -8.933 11.935 Start of MODEL 7 1 H MET 18 H MET 18 -12.464 1.322 -9.650 2 HA MET 18 HA MET 18 -15.386 0.946 -9.427 3 HB2 MET 18 HB2 MET 18 -14.080 -0.763 -10.790 4 HB3 MET 18 HB3 MET 18 -13.214 -1.153 -9.312 5 HG2 MET 18 HG2 MET 18 -14.970 -2.753 -9.675 6 HG3 MET 18 HG3 MET 18 -15.344 -1.778 -8.255 7 HE1 MET 18 HE1 MET 18 -18.890 -2.501 -9.740 8 HE2 MET 18 HE2 MET 18 -17.869 -2.580 -8.304 9 HE3 MET 18 HE3 MET 18 -17.503 -3.591 -9.703 10 H ALA 19 H ALA 19 -13.308 2.489 -7.827 11 HA ALA 19 HA ALA 19 -12.336 2.659 -5.779 12 HB1 ALA 19 HB1 ALA 19 -13.955 2.426 -3.999 13 HB2 ALA 19 HB2 ALA 19 -14.961 1.394 -5.014 14 HB3 ALA 19 HB3 ALA 19 -14.730 3.090 -5.437 15 H LEU 20 H LEU 20 -10.565 1.364 -5.610 16 HA LEU 20 HA LEU 20 -10.715 -1.507 -5.299 17 HB2 LEU 20 HB2 LEU 20 -8.585 0.532 -5.537 18 HB3 LEU 20 HB3 LEU 20 -8.190 -0.849 -4.540 19 HG LEU 20 HG LEU 20 -7.380 -1.225 -6.769 20 HD11 LEU 20 HD11 LEU 20 -8.496 -3.329 -7.305 21 HD12 LEU 20 HD12 LEU 20 -9.829 -2.897 -6.233 22 HD13 LEU 20 HD13 LEU 20 -8.216 -3.167 -5.571 23 HD21 LEU 20 HD21 LEU 20 -8.871 -1.335 -8.697 24 HD22 LEU 20 HD22 LEU 20 -8.864 0.274 -7.977 25 HD23 LEU 20 HD23 LEU 20 -10.221 -0.815 -7.688 26 H LYS 21 H LYS 21 -10.493 -2.621 -3.315 27 HA LYS 21 HA LYS 21 -10.368 -0.895 -0.965 28 HB2 LYS 21 HB2 LYS 21 -11.289 -3.759 -1.125 29 HB3 LYS 21 HB3 LYS 21 -11.569 -2.615 0.180 30 HG2 LYS 21 HG2 LYS 21 -12.853 -1.231 -1.515 31 HG3 LYS 21 HG3 LYS 21 -12.794 -2.657 -2.554 32 HD2 LYS 21 HD2 LYS 21 -14.846 -2.772 -1.385 33 HD3 LYS 21 HD3 LYS 21 -13.767 -3.947 -0.623 34 HE2 LYS 21 HE2 LYS 21 -15.083 -2.551 0.983 35 HE3 LYS 21 HE3 LYS 21 -13.335 -2.486 1.205 36 HZ1 LYS 21 HZ1 LYS 21 -14.373 -0.291 1.341 37 HZ2 LYS 21 HZ2 LYS 21 -14.940 -0.446 -0.245 38 HZ3 LYS 21 HZ3 LYS 21 -13.277 -0.384 0.056 39 H CYS 22 H CYS 22 -8.438 -0.777 -0.033 40 HA CYS 22 HA CYS 22 -7.125 -3.316 0.610 41 HB2 CYS 22 HB2 CYS 22 -5.910 -0.872 -0.646 42 HB3 CYS 22 HB3 CYS 22 -4.927 -1.970 0.318 43 H PHE 23 H PHE 23 -5.203 -2.700 2.261 44 HA PHE 23 HA PHE 23 -6.748 -1.788 4.559 45 HB2 PHE 23 HB2 PHE 23 -3.984 -3.006 4.380 46 HB3 PHE 23 HB3 PHE 23 -4.805 -2.579 5.876 47 HD1 PHE 23 HD1 PHE 23 -6.753 -3.859 6.630 48 HD2 PHE 23 HD2 PHE 23 -4.546 -4.984 3.170 49 HE1 PHE 23 HE1 PHE 23 -7.783 -6.091 6.703 50 HE2 PHE 23 HE2 PHE 23 -5.574 -7.217 3.235 51 HZ PHE 23 HZ PHE 23 -7.195 -7.774 5.004 52 H THR 24 H THR 24 -6.564 0.201 5.325 53 HA THR 24 HA THR 24 -4.034 1.650 4.900 54 HB THR 24 HB THR 24 -6.812 2.855 5.109 55 HG1 THR 24 HG1 THR 24 -6.975 2.382 3.056 56 HG21 THR 24 HG21 THR 24 -4.164 4.068 4.301 57 HG22 THR 24 HG22 THR 24 -5.027 4.374 5.808 58 HG23 THR 24 HG23 THR 24 -5.722 4.893 4.272 59 H ARG 25 H ARG 25 -3.684 3.367 6.648 60 HA ARG 25 HA ARG 25 -4.091 2.022 9.209 61 HB2 ARG 25 HB2 ARG 25 -2.289 4.233 8.271 62 HB3 ARG 25 HB3 ARG 25 -2.596 4.004 9.986 63 HG2 ARG 25 HG2 ARG 25 -1.591 1.792 8.224 64 HG3 ARG 25 HG3 ARG 25 -0.514 2.925 9.044 65 HD2 ARG 25 HD2 ARG 25 -2.556 1.155 10.388 66 HD3 ARG 25 HD3 ARG 25 -0.821 0.848 10.326 67 HE ARG 25 HE ARG 25 -1.346 3.409 11.422 68 HH11 ARG 25 HH11 ARG 25 -1.468 0.008 12.246 69 HH12 ARG 25 HH12 ARG 25 -1.297 0.289 13.952 70 HH21 ARG 25 HH21 ARG 25 -1.093 3.756 13.681 71 HH22 ARG 25 HH22 ARG 25 -1.077 2.384 14.761 72 H ASN 26 H ASN 26 -5.991 2.450 10.094 73 HA ASN 26 HA ASN 26 -6.828 5.269 10.269 74 HB2 ASN 26 HB2 ASN 26 -8.474 3.946 9.068 75 HB3 ASN 26 HB3 ASN 26 -8.493 2.740 10.348 76 HD21 ASN 26 HD21 ASN 26 -9.695 3.083 12.150 77 HD22 ASN 26 HD22 ASN 26 -10.771 4.423 12.341 78 H GLY 27 H GLY 27 -5.927 5.931 12.125 79 HA2 GLY 27 HA2 GLY 27 -5.704 6.154 14.433 80 HA3 GLY 27 HA3 GLY 27 -6.808 4.797 14.648 81 H ASP 28 H ASP 28 -6.003 2.781 14.923 82 HA ASP 28 HA ASP 28 -3.171 2.351 14.340 83 HB2 ASP 28 HB2 ASP 28 -3.430 2.698 16.819 84 HB3 ASP 28 HB3 ASP 28 -4.467 1.273 16.854 85 H ASP 29 H ASP 29 -6.175 1.607 13.578 86 HA ASP 29 HA ASP 29 -5.944 -1.313 13.645 87 HB2 ASP 29 HB2 ASP 29 -8.111 -0.659 14.391 88 HB3 ASP 29 HB3 ASP 29 -8.277 0.528 13.101 89 H ARG 30 H ARG 30 -6.475 -2.397 11.565 90 HA ARG 30 HA ARG 30 -5.342 -0.851 9.336 91 HB2 ARG 30 HB2 ARG 30 -5.426 -3.866 9.609 92 HB3 ARG 30 HB3 ARG 30 -4.760 -2.962 8.256 93 HG2 ARG 30 HG2 ARG 30 -2.997 -2.094 9.627 94 HG3 ARG 30 HG3 ARG 30 -3.718 -2.812 11.067 95 HD2 ARG 30 HD2 ARG 30 -3.414 -5.051 10.021 96 HD3 ARG 30 HD3 ARG 30 -2.565 -4.269 8.691 97 HE ARG 30 HE ARG 30 -1.588 -4.092 11.466 98 HH11 ARG 30 HH11 ARG 30 -1.032 -4.665 8.058 99 HH12 ARG 30 HH12 ARG 30 0.644 -5.102 8.276 100 HH21 ARG 30 HH21 ARG 30 0.651 -4.658 11.724 101 HH22 ARG 30 HH22 ARG 30 1.580 -5.091 10.315 102 H THR 31 H THR 31 -7.056 -0.053 8.390 103 HA THR 31 HA THR 31 -9.494 -1.646 8.303 104 HB THR 31 HB THR 31 -9.245 1.309 7.753 105 HG1 THR 31 HG1 THR 31 -9.409 -0.077 10.254 106 HG21 THR 31 HG21 THR 31 -11.373 0.249 7.157 107 HG22 THR 31 HG22 THR 31 -11.571 1.356 8.515 108 HG23 THR 31 HG23 THR 31 -11.520 -0.385 8.797 109 H VAL 32 H VAL 32 -10.487 -2.227 6.451 110 HA VAL 32 HA VAL 32 -9.132 -1.835 3.927 111 HB VAL 32 HB VAL 32 -11.824 -3.093 4.512 112 HG11 VAL 32 HG11 VAL 32 -11.679 -2.267 2.225 113 HG12 VAL 32 HG12 VAL 32 -11.660 -4.030 2.260 114 HG13 VAL 32 HG13 VAL 32 -10.162 -3.137 1.996 115 HG21 VAL 32 HG21 VAL 32 -10.679 -5.225 4.148 116 HG22 VAL 32 HG22 VAL 32 -10.012 -4.348 5.527 117 HG23 VAL 32 HG23 VAL 32 -9.144 -4.369 3.992 118 H THR 33 H THR 33 -9.265 0.164 3.085 119 HA THR 33 HA THR 33 -11.759 1.659 3.405 120 HB THR 33 HB THR 33 -10.442 3.513 2.230 121 HG1 THR 33 HG1 THR 33 -8.647 2.447 1.475 122 HG21 THR 33 HG21 THR 33 -10.964 3.560 4.620 123 HG22 THR 33 HG22 THR 33 -9.339 4.183 4.337 124 HG23 THR 33 HG23 THR 33 -9.561 2.551 4.971 125 H THR 34 H THR 34 -12.754 2.613 1.685 126 HA THR 34 HA THR 34 -12.495 1.337 -0.913 127 HB THR 34 HB THR 34 -14.500 2.927 0.454 128 HG1 THR 34 HG1 THR 34 -15.106 1.959 -2.045 129 HG21 THR 34 HG21 THR 34 -13.490 4.735 -0.887 130 HG22 THR 34 HG22 THR 34 -15.172 4.398 -1.321 131 HG23 THR 34 HG23 THR 34 -13.860 3.820 -2.352 132 H CYS 35 H CYS 35 -10.865 2.088 -2.209 133 HA CYS 35 HA CYS 35 -9.882 4.777 -1.687 134 HB2 CYS 35 HB2 CYS 35 -8.481 2.962 -3.587 135 HB3 CYS 35 HB3 CYS 35 -7.828 4.033 -2.368 136 H ALA 36 H ALA 36 -9.179 6.104 -3.625 137 HA ALA 36 HA ALA 36 -11.618 6.572 -5.086 138 HB1 ALA 36 HB1 ALA 36 -10.273 8.429 -4.242 139 HB2 ALA 36 HB2 ALA 36 -10.460 8.506 -5.993 140 HB3 ALA 36 HB3 ALA 36 -8.943 7.943 -5.292 141 H GLU 37 H GLU 37 -11.673 6.809 -7.434 142 HA GLU 37 HA GLU 37 -10.928 4.620 -8.836 143 HB2 GLU 37 HB2 GLU 37 -11.457 7.408 -9.864 144 HB3 GLU 37 HB3 GLU 37 -11.366 5.986 -10.887 145 HG2 GLU 37 HG2 GLU 37 -13.346 6.442 -8.671 146 HG3 GLU 37 HG3 GLU 37 -13.669 6.564 -10.401 147 H GLU 38 H GLU 38 -9.080 7.547 -8.390 148 HA GLU 38 HA GLU 38 -7.054 7.087 -10.290 149 HB2 GLU 38 HB2 GLU 38 -5.687 8.560 -8.752 150 HB3 GLU 38 HB3 GLU 38 -7.188 9.256 -9.361 151 HG2 GLU 38 HG2 GLU 38 -8.280 8.966 -7.341 152 HG3 GLU 38 HG3 GLU 38 -7.079 7.824 -6.756 153 H GLN 39 H GLN 39 -7.706 5.774 -7.147 154 HA GLN 39 HA GLN 39 -4.943 4.858 -6.825 155 HB2 GLN 39 HB2 GLN 39 -7.230 4.747 -4.842 156 HB3 GLN 39 HB3 GLN 39 -5.551 4.330 -4.528 157 HG2 GLN 39 HG2 GLN 39 -4.862 6.584 -4.715 158 HG3 GLN 39 HG3 GLN 39 -6.424 7.078 -5.366 159 HE21 GLN 39 HE21 GLN 39 -4.954 8.019 -3.030 160 HE22 GLN 39 HE22 GLN 39 -6.030 7.827 -1.683 161 H THR 40 H THR 40 -5.644 3.455 -8.742 162 HA THR 40 HA THR 40 -7.113 1.118 -7.935 163 HB THR 40 HB THR 40 -6.222 0.420 -10.347 164 HG1 THR 40 HG1 THR 40 -6.356 3.077 -10.996 165 HG21 THR 40 HG21 THR 40 -8.569 0.831 -9.756 166 HG22 THR 40 HG22 THR 40 -8.173 1.532 -11.324 167 HG23 THR 40 HG23 THR 40 -8.301 2.568 -9.903 168 H ARG 41 H ARG 41 -4.458 1.875 -6.747 169 HA ARG 41 HA ARG 41 -3.288 -0.772 -6.967 170 HB2 ARG 41 HB2 ARG 41 -1.904 1.458 -7.937 171 HB3 ARG 41 HB3 ARG 41 -1.259 1.212 -6.332 172 HG2 ARG 41 HG2 ARG 41 0.068 0.057 -7.964 173 HG3 ARG 41 HG3 ARG 41 -0.727 -1.092 -6.895 174 HD2 ARG 41 HD2 ARG 41 -2.362 -1.608 -8.574 175 HD3 ARG 41 HD3 ARG 41 -1.746 -0.331 -9.624 176 HE ARG 41 HE ARG 41 0.286 -2.214 -8.956 177 HH11 ARG 41 HH11 ARG 41 -2.479 -1.707 -11.039 178 HH12 ARG 41 HH12 ARG 41 -1.919 -2.789 -12.271 179 HH21 ARG 41 HH21 ARG 41 1.046 -3.631 -10.587 180 HH22 ARG 41 HH22 ARG 41 0.095 -3.888 -12.013 181 H CYS 42 H CYS 42 -1.447 -0.613 -5.001 182 HA CYS 42 HA CYS 42 -2.709 0.485 -2.692 183 HB2 CYS 42 HB2 CYS 42 -2.458 -2.536 -2.789 184 HB3 CYS 42 HB3 CYS 42 -3.031 -1.568 -1.436 185 H LEU 43 H LEU 43 -1.196 0.822 -1.086 186 HA LEU 43 HA LEU 43 1.549 0.138 -1.899 187 HB2 LEU 43 HB2 LEU 43 0.483 2.590 -1.263 188 HB3 LEU 43 HB3 LEU 43 1.209 2.092 0.253 189 HG LEU 43 HG LEU 43 2.543 2.626 -2.372 190 HD11 LEU 43 HD11 LEU 43 3.023 3.638 0.407 191 HD12 LEU 43 HD12 LEU 43 2.249 4.517 -0.912 192 HD13 LEU 43 HD13 LEU 43 3.954 4.082 -1.021 193 HD21 LEU 43 HD21 LEU 43 4.639 1.796 -1.438 194 HD22 LEU 43 HD22 LEU 43 3.448 0.510 -1.634 195 HD23 LEU 43 HD23 LEU 43 3.759 1.188 -0.036 196 H PHE 44 H PHE 44 2.687 -1.155 -0.643 197 HA PHE 44 HA PHE 44 2.171 -1.234 2.228 198 HB2 PHE 44 HB2 PHE 44 0.983 -3.169 1.522 199 HB3 PHE 44 HB3 PHE 44 2.232 -3.611 0.371 200 HD1 PHE 44 HD1 PHE 44 3.144 -2.600 3.787 201 HD2 PHE 44 HD2 PHE 44 2.299 -5.861 1.184 202 HE1 PHE 44 HE1 PHE 44 4.142 -4.157 5.414 203 HE2 PHE 44 HE2 PHE 44 3.276 -7.416 2.813 204 HZ PHE 44 HZ PHE 44 4.187 -6.571 4.928 205 H VAL 45 H VAL 45 4.016 -0.612 3.123 206 HA VAL 45 HA VAL 45 6.539 -1.335 1.774 207 HB VAL 45 HB VAL 45 6.063 1.085 3.532 208 HG11 VAL 45 HG11 VAL 45 8.340 0.233 3.663 209 HG12 VAL 45 HG12 VAL 45 8.294 1.778 2.815 210 HG13 VAL 45 HG13 VAL 45 8.470 0.278 1.905 211 HG21 VAL 45 HG21 VAL 45 6.300 2.419 1.489 212 HG22 VAL 45 HG22 VAL 45 4.913 1.335 1.383 213 HG23 VAL 45 HG23 VAL 45 6.408 0.943 0.534 214 H GLN 46 H GLN 46 8.076 -2.349 3.040 215 HA GLN 46 HA GLN 46 7.129 -3.440 5.573 216 HB2 GLN 46 HB2 GLN 46 9.858 -3.829 4.401 217 HB3 GLN 46 HB3 GLN 46 9.048 -4.833 5.575 218 HG2 GLN 46 HG2 GLN 46 8.436 -4.598 2.641 219 HG3 GLN 46 HG3 GLN 46 9.187 -5.942 3.486 220 HE21 GLN 46 HE21 GLN 46 7.372 -5.775 5.766 221 HE22 GLN 46 HE22 GLN 46 5.862 -6.411 5.222 222 H LEU 47 H LEU 47 8.092 -3.064 7.533 223 HA LEU 47 HA LEU 47 10.191 -1.047 7.667 224 HB2 LEU 47 HB2 LEU 47 7.591 -0.920 9.178 225 HB3 LEU 47 HB3 LEU 47 9.051 -0.235 9.854 226 HG LEU 47 HG LEU 47 7.703 1.485 8.840 227 HD11 LEU 47 HD11 LEU 47 10.133 1.727 8.747 228 HD12 LEU 47 HD12 LEU 47 9.355 2.481 7.355 229 HD13 LEU 47 HD13 LEU 47 10.155 0.918 7.179 230 HD21 LEU 47 HD21 LEU 47 7.951 -0.090 6.292 231 HD22 LEU 47 HD22 LEU 47 7.306 1.546 6.422 232 HD23 LEU 47 HD23 LEU 47 6.477 0.204 7.216 233 HA PRO 48 HA PRO 48 11.874 -4.063 10.420 234 HB2 PRO 48 HB2 PRO 48 13.179 -1.949 11.970 235 HB3 PRO 48 HB3 PRO 48 13.900 -3.194 10.948 236 HG2 PRO 48 HG2 PRO 48 13.886 -0.592 10.246 237 HG3 PRO 48 HG3 PRO 48 13.774 -1.894 9.049 238 HD2 PRO 48 HD2 PRO 48 11.601 -0.168 10.183 239 HD3 PRO 48 HD3 PRO 48 11.860 -0.698 8.506 240 H TYR 49 H TYR 49 9.736 -1.670 11.513 241 HA TYR 49 HA TYR 49 9.443 -3.024 14.087 242 HB2 TYR 49 HB2 TYR 49 9.523 -0.008 13.846 243 HB3 TYR 49 HB3 TYR 49 9.254 -0.931 15.320 244 HD1 TYR 49 HD1 TYR 49 11.149 -2.360 16.208 245 HD2 TYR 49 HD2 TYR 49 11.697 0.514 13.120 246 HE1 TYR 49 HE1 TYR 49 13.570 -2.361 16.645 247 HE2 TYR 49 HE2 TYR 49 14.117 0.522 13.546 248 HH TYR 49 HH TYR 49 15.649 -1.823 15.474 249 H SER 50 H SER 50 7.959 -2.357 11.335 250 HA SER 50 HA SER 50 5.383 -2.363 12.225 251 HB2 SER 50 HB2 SER 50 4.627 -0.020 11.644 252 HB3 SER 50 HB3 SER 50 5.622 -0.126 13.095 253 HG SER 50 HG SER 50 6.624 1.440 12.055 254 H GLU 51 H GLU 51 4.157 -0.783 10.108 255 HA GLU 51 HA GLU 51 5.350 -1.647 7.678 256 HB2 GLU 51 HB2 GLU 51 2.659 -2.847 8.402 257 HB3 GLU 51 HB3 GLU 51 3.463 -2.999 6.850 258 HG2 GLU 51 HG2 GLU 51 5.244 -4.289 7.867 259 HG3 GLU 51 HG3 GLU 51 4.505 -4.086 9.455 260 H ILE 52 H ILE 52 4.338 -0.691 5.836 261 HA ILE 52 HA ILE 52 2.514 1.529 6.518 262 HB ILE 52 HB ILE 52 4.415 1.251 4.181 263 HG12 ILE 52 HG12 ILE 52 4.350 3.194 6.483 264 HG13 ILE 52 HG13 ILE 52 5.466 1.852 6.323 265 HG21 ILE 52 HG21 ILE 52 3.688 3.478 3.501 266 HG22 ILE 52 HG22 ILE 52 2.508 3.503 4.810 267 HG23 ILE 52 HG23 ILE 52 2.336 2.347 3.490 268 HD11 ILE 52 HD11 ILE 52 6.523 3.953 5.725 269 HD12 ILE 52 HD12 ILE 52 5.292 4.235 4.495 270 HD13 ILE 52 HD13 ILE 52 6.416 2.886 4.325 271 H GLN 53 H GLN 53 0.584 1.707 5.418 272 HA GLN 53 HA GLN 53 0.018 -0.065 3.263 273 HB2 GLN 53 HB2 GLN 53 -1.737 -0.228 5.726 274 HB3 GLN 53 HB3 GLN 53 -2.021 -1.042 4.195 275 HG2 GLN 53 HG2 GLN 53 0.097 -2.302 4.550 276 HG3 GLN 53 HG3 GLN 53 0.197 -1.576 6.155 277 HE21 GLN 53 HE21 GLN 53 -1.388 -3.896 4.154 278 HE22 GLN 53 HE22 GLN 53 -2.318 -4.646 5.402 279 H GLU 54 H GLU 54 -1.091 1.118 1.837 280 HA GLU 54 HA GLU 54 -3.261 2.868 2.602 281 HB2 GLU 54 HB2 GLU 54 -2.109 4.838 1.460 282 HB3 GLU 54 HB3 GLU 54 -1.534 4.422 3.059 283 HG2 GLU 54 HG2 GLU 54 0.329 3.167 2.001 284 HG3 GLU 54 HG3 GLU 54 -0.199 3.794 0.436 285 H CYS 55 H CYS 55 -4.496 3.581 0.735 286 HA CYS 55 HA CYS 55 -3.973 2.168 -1.673 287 HB2 CYS 55 HB2 CYS 55 -5.958 4.434 -1.377 288 HB3 CYS 55 HB3 CYS 55 -6.012 3.085 -2.489 289 H LYS 56 H LYS 56 -3.276 2.956 -3.671 290 HA LYS 56 HA LYS 56 -2.300 5.671 -3.755 291 HB2 LYS 56 HB2 LYS 56 -0.496 3.979 -2.780 292 HB3 LYS 56 HB3 LYS 56 -0.286 3.580 -4.478 293 HG2 LYS 56 HG2 LYS 56 1.326 5.250 -3.729 294 HG3 LYS 56 HG3 LYS 56 0.260 5.891 -4.980 295 HD2 LYS 56 HD2 LYS 56 0.651 7.481 -3.117 296 HD3 LYS 56 HD3 LYS 56 -1.048 7.069 -3.334 297 HE2 LYS 56 HE2 LYS 56 -0.879 5.456 -1.494 298 HE3 LYS 56 HE3 LYS 56 0.807 5.887 -1.253 299 HZ1 LYS 56 HZ1 LYS 56 -1.563 7.615 -0.847 300 HZ2 LYS 56 HZ2 LYS 56 0.024 8.197 -0.839 301 HZ3 LYS 56 HZ3 LYS 56 -0.466 7.067 0.327 302 H THR 57 H THR 57 -1.652 6.218 -6.028 303 HA THR 57 HA THR 57 -3.468 4.845 -7.835 304 HB THR 57 HB THR 57 -3.099 6.570 -9.387 305 HG1 THR 57 HG1 THR 57 -1.339 8.194 -8.740 306 HG21 THR 57 HG21 THR 57 -2.906 7.858 -6.666 307 HG22 THR 57 HG22 THR 57 -4.390 7.328 -7.457 308 HG23 THR 57 HG23 THR 57 -3.447 8.648 -8.146 309 H VAL 58 H VAL 58 -2.726 3.746 -9.698 310 HA VAL 58 HA VAL 58 -0.584 2.100 -9.342 311 HB VAL 58 HB VAL 58 -1.701 2.916 -12.046 312 HG11 VAL 58 HG11 VAL 58 -0.986 0.690 -12.773 313 HG12 VAL 58 HG12 VAL 58 -0.268 0.404 -11.188 314 HG13 VAL 58 HG13 VAL 58 0.381 1.667 -12.235 315 HG21 VAL 58 HG21 VAL 58 -3.226 1.030 -11.784 316 HG22 VAL 58 HG22 VAL 58 -3.463 2.224 -10.508 317 HG23 VAL 58 HG23 VAL 58 -2.588 0.732 -10.167 318 H GLN 59 H GLN 59 -0.565 5.009 -11.509 319 HA GLN 59 HA GLN 59 1.985 4.808 -12.255 320 HB2 GLN 59 HB2 GLN 59 1.725 6.989 -13.067 321 HB3 GLN 59 HB3 GLN 59 0.146 6.282 -13.124 322 HG2 GLN 59 HG2 GLN 59 -0.600 7.542 -11.290 323 HG3 GLN 59 HG3 GLN 59 1.038 8.034 -10.858 324 HE21 GLN 59 HE21 GLN 59 2.030 9.677 -11.999 325 HE22 GLN 59 HE22 GLN 59 1.156 10.728 -13.058 326 H GLN 60 H GLN 60 0.768 6.552 -9.408 327 HA GLN 60 HA GLN 60 3.321 7.746 -8.821 328 HB2 GLN 60 HB2 GLN 60 0.885 7.418 -7.039 329 HB3 GLN 60 HB3 GLN 60 2.265 8.454 -6.717 330 HG2 GLN 60 HG2 GLN 60 0.885 8.949 -9.264 331 HG3 GLN 60 HG3 GLN 60 -0.057 9.280 -7.815 332 HE21 GLN 60 HE21 GLN 60 3.430 9.651 -8.145 333 HE22 GLN 60 HE22 GLN 60 3.437 11.367 -7.962 334 H CYS 61 H CYS 61 1.582 4.822 -7.955 335 HA CYS 61 HA CYS 61 3.129 4.210 -5.615 336 HB2 CYS 61 HB2 CYS 61 2.017 2.162 -5.583 337 HB3 CYS 61 HB3 CYS 61 0.847 3.184 -6.412 338 H ALA 62 H ALA 62 3.393 3.447 -9.083 339 HA ALA 62 HA ALA 62 5.591 1.801 -8.933 340 HB1 ALA 62 HB1 ALA 62 4.959 3.796 -11.105 341 HB2 ALA 62 HB2 ALA 62 4.304 2.163 -10.980 342 HB3 ALA 62 HB3 ALA 62 6.030 2.403 -11.258 343 H GLU 63 H GLU 63 5.550 5.325 -9.377 344 HA GLU 63 HA GLU 63 8.333 5.598 -9.347 345 HB2 GLU 63 HB2 GLU 63 7.954 7.906 -9.474 346 HB3 GLU 63 HB3 GLU 63 6.578 7.165 -10.281 347 HG2 GLU 63 HG2 GLU 63 5.333 7.388 -8.132 348 HG3 GLU 63 HG3 GLU 63 6.679 8.370 -7.571 349 H VAL 64 H VAL 64 5.990 6.174 -6.689 350 HA VAL 64 HA VAL 64 7.841 6.620 -4.777 351 HB VAL 64 HB VAL 64 6.073 6.267 -3.257 352 HG11 VAL 64 HG11 VAL 64 4.930 7.345 -5.781 353 HG12 VAL 64 HG12 VAL 64 5.864 8.251 -4.588 354 HG13 VAL 64 HG13 VAL 64 4.277 7.609 -4.164 355 HG21 VAL 64 HG21 VAL 64 5.271 4.171 -3.728 356 HG22 VAL 64 HG22 VAL 64 4.829 4.651 -5.362 357 HG23 VAL 64 HG23 VAL 64 3.911 5.270 -3.982 358 H LEU 65 H LEU 65 6.736 3.602 -6.118 359 HA LEU 65 HA LEU 65 7.656 1.824 -4.181 360 HB2 LEU 65 HB2 LEU 65 6.348 1.166 -6.176 361 HB3 LEU 65 HB3 LEU 65 7.738 1.506 -7.188 362 HG LEU 65 HG LEU 65 8.984 -0.306 -6.099 363 HD11 LEU 65 HD11 LEU 65 7.893 -0.161 -3.918 364 HD12 LEU 65 HD12 LEU 65 7.875 -1.803 -4.555 365 HD13 LEU 65 HD13 LEU 65 6.414 -0.815 -4.617 366 HD21 LEU 65 HD21 LEU 65 6.265 -1.159 -7.074 367 HD22 LEU 65 HD22 LEU 65 7.707 -2.170 -6.995 368 HD23 LEU 65 HD23 LEU 65 7.656 -0.791 -8.096 369 H GLU 66 H GLU 66 9.334 3.143 -7.019 370 HA GLU 66 HA GLU 66 11.763 1.946 -6.317 371 HB2 GLU 66 HB2 GLU 66 11.300 4.256 -8.209 372 HB3 GLU 66 HB3 GLU 66 12.741 3.247 -8.152 373 HG2 GLU 66 HG2 GLU 66 11.419 1.307 -8.804 374 HG3 GLU 66 HG3 GLU 66 9.965 2.303 -8.839 375 H GLU 67 H GLU 67 10.434 5.011 -5.383 376 HA GLU 67 HA GLU 67 12.904 6.304 -4.841 377 HB2 GLU 67 HB2 GLU 67 11.572 7.895 -3.590 378 HB3 GLU 67 HB3 GLU 67 10.768 7.511 -5.113 379 HG2 GLU 67 HG2 GLU 67 9.340 5.997 -4.055 380 HG3 GLU 67 HG3 GLU 67 10.170 6.209 -2.525 381 H VAL 68 H VAL 68 10.539 4.601 -2.775 382 HA VAL 68 HA VAL 68 12.275 4.594 -0.574 383 HB VAL 68 HB VAL 68 10.683 3.070 0.509 384 HG11 VAL 68 HG11 VAL 68 8.713 4.529 0.390 385 HG12 VAL 68 HG12 VAL 68 9.384 5.301 -1.046 386 HG13 VAL 68 HG13 VAL 68 10.214 5.447 0.503 387 HG21 VAL 68 HG21 VAL 68 9.310 2.987 -2.178 388 HG22 VAL 68 HG22 VAL 68 8.665 2.328 -0.674 389 HG23 VAL 68 HG23 VAL 68 10.126 1.640 -1.384 390 H THR 69 H THR 69 11.691 2.095 -3.041 391 HA THR 69 HA THR 69 13.120 0.120 -1.724 392 HB THR 69 HB THR 69 13.360 -0.935 -4.005 393 HG1 THR 69 HG1 THR 69 11.530 0.961 -4.940 394 HG21 THR 69 HG21 THR 69 11.524 -1.505 -2.531 395 HG22 THR 69 HG22 THR 69 10.958 -1.421 -4.200 396 HG23 THR 69 HG23 THR 69 10.619 -0.097 -3.086 397 H ALA 70 H ALA 70 14.228 2.665 -3.881 398 HA ALA 70 HA ALA 70 16.865 1.825 -4.069 399 HB1 ALA 70 HB1 ALA 70 15.828 4.660 -4.062 400 HB2 ALA 70 HB2 ALA 70 15.910 3.592 -5.463 401 HB3 ALA 70 HB3 ALA 70 17.394 4.132 -4.678 402 H ILE 71 H ILE 71 15.176 3.247 -1.430 403 HA ILE 71 HA ILE 71 17.569 4.045 0.005 404 HB ILE 71 HB ILE 71 14.794 3.780 1.170 405 HG12 ILE 71 HG12 ILE 71 15.979 6.197 -0.215 406 HG13 ILE 71 HG13 ILE 71 14.699 5.186 -0.867 407 HG21 ILE 71 HG21 ILE 71 17.157 5.509 1.905 408 HG22 ILE 71 HG22 ILE 71 16.614 4.069 2.766 409 HG23 ILE 71 HG23 ILE 71 15.593 5.507 2.719 410 HD11 ILE 71 HD11 ILE 71 13.852 7.267 0.098 411 HD12 ILE 71 HD12 ILE 71 14.515 6.799 1.666 412 HD13 ILE 71 HD13 ILE 71 13.226 5.845 0.932 413 H GLY 72 H GLY 72 15.714 1.223 -0.475 414 HA2 GLY 72 HA2 GLY 72 16.598 -0.829 0.345 415 HA3 GLY 72 HA3 GLY 72 16.970 -0.025 1.863 416 H TYR 73 H TYR 73 13.948 0.971 0.903 417 HA TYR 73 HA TYR 73 12.718 -0.713 2.938 418 HB2 TYR 73 HB2 TYR 73 11.736 1.716 1.435 419 HB3 TYR 73 HB3 TYR 73 10.769 0.818 2.587 420 HD1 TYR 73 HD1 TYR 73 11.583 0.694 4.998 421 HD2 TYR 73 HD2 TYR 73 13.193 3.406 2.145 422 HE1 TYR 73 HE1 TYR 73 12.468 2.081 6.825 423 HE2 TYR 73 HE2 TYR 73 14.087 4.798 3.964 424 HH TYR 73 HH TYR 73 13.637 5.227 6.345 425 HA PRO 74 HA PRO 74 11.117 -3.331 -0.415 426 HB2 PRO 74 HB2 PRO 74 9.792 -4.551 1.945 427 HB3 PRO 74 HB3 PRO 74 10.742 -5.318 0.680 428 HG2 PRO 74 HG2 PRO 74 11.777 -5.032 3.084 429 HG3 PRO 74 HG3 PRO 74 12.767 -4.703 1.646 430 HD2 PRO 74 HD2 PRO 74 11.355 -2.753 3.443 431 HD3 PRO 74 HD3 PRO 74 13.015 -2.707 2.816 432 H ALA 75 H ALA 75 9.343 -2.772 -1.542 433 HA ALA 75 HA ALA 75 6.850 -2.269 -0.064 434 HB1 ALA 75 HB1 ALA 75 8.083 -0.472 -2.143 435 HB2 ALA 75 HB2 ALA 75 7.849 -0.112 -0.432 436 HB3 ALA 75 HB3 ALA 75 6.452 -0.288 -1.497 437 H LYS 76 H LYS 76 4.921 -2.384 -1.351 438 HA LYS 76 HA LYS 76 5.212 -3.389 -4.099 439 HB2 LYS 76 HB2 LYS 76 3.327 -4.964 -3.665 440 HB3 LYS 76 HB3 LYS 76 4.775 -5.365 -2.768 441 HG2 LYS 76 HG2 LYS 76 3.852 -4.802 -0.745 442 HG3 LYS 76 HG3 LYS 76 2.715 -3.665 -1.466 443 HD2 LYS 76 HD2 LYS 76 1.458 -5.533 -0.691 444 HD3 LYS 76 HD3 LYS 76 1.511 -5.630 -2.450 445 HE2 LYS 76 HE2 LYS 76 3.257 -7.311 -2.330 446 HE3 LYS 76 HE3 LYS 76 3.299 -7.172 -0.572 447 HZ1 LYS 76 HZ1 LYS 76 0.974 -8.098 -2.176 448 HZ2 LYS 76 HZ2 LYS 76 1.010 -7.955 -0.494 449 HZ3 LYS 76 HZ3 LYS 76 2.004 -9.094 -1.264 450 H CYS 77 H CYS 77 3.676 -2.526 -5.530 451 HA CYS 77 HA CYS 77 1.098 -1.925 -4.290 452 HB2 CYS 77 HB2 CYS 77 0.713 -0.135 -5.907 453 HB3 CYS 77 HB3 CYS 77 2.071 0.220 -4.873 454 H CYS 78 H CYS 78 0.308 -3.930 -4.827 455 HA CYS 78 HA CYS 78 0.132 -4.560 -7.636 456 HB2 CYS 78 HB2 CYS 78 -0.999 -6.668 -6.555 457 HB3 CYS 78 HB3 CYS 78 0.742 -6.428 -6.425 458 H CYS 79 H CYS 79 -2.051 -5.672 -8.310 459 HA CYS 79 HA CYS 79 -4.139 -3.728 -7.636 460 HB2 CYS 79 HB2 CYS 79 -5.037 -4.154 -9.968 461 HB3 CYS 79 HB3 CYS 79 -3.545 -3.223 -9.891 462 HG CYS 79 HG CYS 79 -3.733 -6.557 -10.631 463 H GLU 80 H GLU 80 -5.218 -4.847 -6.227 464 HA GLU 80 HA GLU 80 -6.937 -6.977 -6.787 465 HB2 GLU 80 HB2 GLU 80 -5.004 -8.402 -6.979 466 HB3 GLU 80 HB3 GLU 80 -4.261 -7.697 -5.556 467 HG2 GLU 80 HG2 GLU 80 -6.154 -8.677 -4.219 468 HG3 GLU 80 HG3 GLU 80 -6.626 -9.546 -5.680 469 H ASP 81 H ASP 81 -8.265 -7.304 -4.898 470 HA ASP 81 HA ASP 81 -8.172 -5.050 -3.106 471 HB2 ASP 81 HB2 ASP 81 -9.929 -7.509 -3.102 472 HB3 ASP 81 HB3 ASP 81 -10.028 -6.231 -1.891 473 H LEU 82 H LEU 82 -7.583 -5.043 -1.051 474 HA LEU 82 HA LEU 82 -6.453 -5.583 0.834 475 HB2 LEU 82 HB2 LEU 82 -7.203 -8.444 0.236 476 HB3 LEU 82 HB3 LEU 82 -6.882 -7.733 1.800 477 HG LEU 82 HG LEU 82 -9.133 -7.812 1.931 478 HD11 LEU 82 HD11 LEU 82 -8.644 -5.462 2.068 479 HD12 LEU 82 HD12 LEU 82 -10.241 -5.744 1.375 480 HD13 LEU 82 HD13 LEU 82 -8.889 -5.306 0.328 481 HD21 LEU 82 HD21 LEU 82 -9.262 -7.635 -1.035 482 HD22 LEU 82 HD22 LEU 82 -10.685 -7.649 0.007 483 HD23 LEU 82 HD23 LEU 82 -9.589 -9.030 -0.009 484 H CYS 83 H CYS 83 -5.219 -6.203 -2.039 485 HA CYS 83 HA CYS 83 -3.317 -8.166 -1.624 486 HB2 CYS 83 HB2 CYS 83 -3.973 -7.269 -3.846 487 HB3 CYS 83 HB3 CYS 83 -3.043 -5.814 -3.509 488 H ASN 84 H ASN 84 -3.328 -5.055 -0.286 489 HA ASN 84 HA ASN 84 -0.408 -4.899 -0.187 490 HB2 ASN 84 HB2 ASN 84 -0.607 -2.684 0.637 491 HB3 ASN 84 HB3 ASN 84 -1.744 -2.825 -0.696 492 HD21 ASN 84 HD21 ASN 84 -1.638 -0.987 1.548 493 HD22 ASN 84 HD22 ASN 84 -3.165 -1.121 2.361 494 H ARG 85 H ARG 85 -2.205 -6.880 1.185 495 HA ARG 85 HA ARG 85 -2.101 -6.374 4.008 496 HB2 ARG 85 HB2 ARG 85 -2.814 -8.616 4.306 497 HB3 ARG 85 HB3 ARG 85 -3.629 -8.069 2.848 498 HG2 ARG 85 HG2 ARG 85 -1.068 -9.649 2.793 499 HG3 ARG 85 HG3 ARG 85 -2.664 -10.398 2.776 500 HD2 ARG 85 HD2 ARG 85 -3.195 -9.480 0.692 501 HD3 ARG 85 HD3 ARG 85 -1.905 -8.286 0.792 502 HE ARG 85 HE ARG 85 -0.439 -10.467 0.706 503 HH11 ARG 85 HH11 ARG 85 -3.400 -9.803 -1.045 504 HH12 ARG 85 HH12 ARG 85 -2.911 -10.619 -2.495 505 HH21 ARG 85 HH21 ARG 85 0.235 -11.562 -1.182 506 HH22 ARG 85 HH22 ARG 85 -0.831 -11.657 -2.553 507 H SER 86 H SER 86 -0.800 -7.971 5.407 508 HA SER 86 HA SER 86 1.994 -7.674 4.679 509 HB2 SER 86 HB2 SER 86 1.243 -7.285 7.038 510 HB3 SER 86 HB3 SER 86 0.773 -8.983 7.126 511 HG SER 86 HG SER 86 3.269 -7.812 7.249 512 H GLU 87 H GLU 87 3.320 -9.415 4.206 513 HA GLU 87 HA GLU 87 1.888 -11.717 3.111 514 HB2 GLU 87 HB2 GLU 87 4.802 -10.979 2.794 515 HB3 GLU 87 HB3 GLU 87 3.909 -12.173 1.864 516 HG2 GLU 87 HG2 GLU 87 3.319 -9.221 1.860 517 HG3 GLU 87 HG3 GLU 87 4.317 -10.043 0.664 518 H GLN 88 H GLN 88 2.641 -11.132 6.024 519 HA GLN 88 HA GLN 88 3.898 -13.708 6.538 520 HB2 GLN 88 HB2 GLN 88 5.671 -12.023 6.861 521 HB3 GLN 88 HB3 GLN 88 4.648 -11.177 8.014 522 HG2 GLN 88 HG2 GLN 88 4.683 -13.134 9.479 523 HG3 GLN 88 HG3 GLN 88 5.717 -13.973 8.324 524 HE21 GLN 88 HE21 GLN 88 7.194 -11.517 7.689 525 HE22 GLN 88 HE22 GLN 88 8.242 -11.241 9.033 Start of MODEL 8 1 H MET 18 H MET 18 -16.608 2.881 -9.939 2 HA MET 18 HA MET 18 -15.870 0.606 -9.838 3 HB2 MET 18 HB2 MET 18 -14.915 0.526 -12.108 4 HB3 MET 18 HB3 MET 18 -13.622 1.605 -11.607 5 HG2 MET 18 HG2 MET 18 -12.893 -0.722 -11.729 6 HG3 MET 18 HG3 MET 18 -12.761 -0.071 -10.095 7 HE1 MET 18 HE1 MET 18 -12.507 -2.558 -9.131 8 HE2 MET 18 HE2 MET 18 -12.626 -3.177 -10.778 9 HE3 MET 18 HE3 MET 18 -13.640 -3.857 -9.507 10 H ALA 19 H ALA 19 -14.025 -0.062 -8.414 11 HA ALA 19 HA ALA 19 -12.477 2.009 -7.225 12 HB1 ALA 19 HB1 ALA 19 -14.667 0.772 -5.551 13 HB2 ALA 19 HB2 ALA 19 -14.587 2.455 -6.072 14 HB3 ALA 19 HB3 ALA 19 -13.382 1.820 -4.952 15 H LEU 20 H LEU 20 -11.232 1.010 -5.270 16 HA LEU 20 HA LEU 20 -11.127 -1.928 -5.438 17 HB2 LEU 20 HB2 LEU 20 -9.337 -0.945 -6.845 18 HB3 LEU 20 HB3 LEU 20 -8.743 -0.065 -5.450 19 HG LEU 20 HG LEU 20 -8.311 -2.273 -4.336 20 HD11 LEU 20 HD11 LEU 20 -8.216 -4.265 -5.731 21 HD12 LEU 20 HD12 LEU 20 -8.871 -3.355 -7.093 22 HD13 LEU 20 HD13 LEU 20 -9.857 -3.624 -5.656 23 HD21 LEU 20 HD21 LEU 20 -6.508 -1.027 -5.360 24 HD22 LEU 20 HD22 LEU 20 -6.892 -1.716 -6.937 25 HD23 LEU 20 HD23 LEU 20 -6.285 -2.753 -5.646 26 H LYS 21 H LYS 21 -10.884 -2.920 -3.454 27 HA LYS 21 HA LYS 21 -11.026 -1.125 -1.143 28 HB2 LYS 21 HB2 LYS 21 -11.220 -4.140 -1.260 29 HB3 LYS 21 HB3 LYS 21 -11.518 -3.137 0.154 30 HG2 LYS 21 HG2 LYS 21 -13.428 -2.134 -0.923 31 HG3 LYS 21 HG3 LYS 21 -13.123 -3.082 -2.383 32 HD2 LYS 21 HD2 LYS 21 -14.027 -4.935 -1.503 33 HD3 LYS 21 HD3 LYS 21 -13.252 -4.674 0.064 34 HE2 LYS 21 HE2 LYS 21 -14.920 -3.026 0.635 35 HE3 LYS 21 HE3 LYS 21 -15.691 -3.225 -0.939 36 HZ1 LYS 21 HZ1 LYS 21 -15.447 -5.315 1.158 37 HZ2 LYS 21 HZ2 LYS 21 -16.156 -5.535 -0.361 38 HZ3 LYS 21 HZ3 LYS 21 -16.859 -4.475 0.754 39 H CYS 22 H CYS 22 -9.364 -0.863 0.266 40 HA CYS 22 HA CYS 22 -7.175 -2.784 0.353 41 HB2 CYS 22 HB2 CYS 22 -6.880 -1.074 -1.562 42 HB3 CYS 22 HB3 CYS 22 -6.609 0.108 -0.289 43 H PHE 23 H PHE 23 -5.584 -2.166 2.082 44 HA PHE 23 HA PHE 23 -7.136 -1.263 4.397 45 HB2 PHE 23 HB2 PHE 23 -4.523 -2.727 4.110 46 HB3 PHE 23 HB3 PHE 23 -4.992 -1.980 5.629 47 HD1 PHE 23 HD1 PHE 23 -5.677 -4.688 3.267 48 HD2 PHE 23 HD2 PHE 23 -6.745 -2.898 6.974 49 HE1 PHE 23 HE1 PHE 23 -6.904 -6.728 3.896 50 HE2 PHE 23 HE2 PHE 23 -7.975 -4.928 7.608 51 HZ PHE 23 HZ PHE 23 -8.056 -6.849 6.067 52 H THR 24 H THR 24 -6.941 0.777 5.062 53 HA THR 24 HA THR 24 -4.456 2.221 4.484 54 HB THR 24 HB THR 24 -7.126 3.303 5.422 55 HG1 THR 24 HG1 THR 24 -7.651 2.985 3.392 56 HG21 THR 24 HG21 THR 24 -6.242 5.476 4.744 57 HG22 THR 24 HG22 THR 24 -4.718 4.726 4.275 58 HG23 THR 24 HG23 THR 24 -5.204 4.746 5.970 59 H ARG 25 H ARG 25 -3.239 3.164 6.167 60 HA ARG 25 HA ARG 25 -3.656 1.806 8.729 61 HB2 ARG 25 HB2 ARG 25 -1.267 3.293 7.641 62 HB3 ARG 25 HB3 ARG 25 -1.370 2.676 9.283 63 HG2 ARG 25 HG2 ARG 25 -1.498 1.025 6.774 64 HG3 ARG 25 HG3 ARG 25 -0.101 1.193 7.837 65 HD2 ARG 25 HD2 ARG 25 -2.777 0.096 8.689 66 HD3 ARG 25 HD3 ARG 25 -1.407 -0.894 8.191 67 HE ARG 25 HE ARG 25 -1.494 0.802 10.602 68 HH11 ARG 25 HH11 ARG 25 -0.160 -1.867 8.776 69 HH12 ARG 25 HH12 ARG 25 0.803 -2.475 10.094 70 HH21 ARG 25 HH21 ARG 25 -0.248 -0.010 12.358 71 HH22 ARG 25 HH22 ARG 25 0.732 -1.421 12.126 72 H ASN 26 H ASN 26 -4.750 2.847 10.199 73 HA ASN 26 HA ASN 26 -4.664 5.789 10.303 74 HB2 ASN 26 HB2 ASN 26 -6.478 3.826 11.742 75 HB3 ASN 26 HB3 ASN 26 -6.513 5.574 11.949 76 HD21 ASN 26 HD21 ASN 26 -8.401 3.442 10.875 77 HD22 ASN 26 HD22 ASN 26 -8.968 4.128 9.390 78 H GLY 27 H GLY 27 -2.443 5.571 11.005 79 HA2 GLY 27 HA2 GLY 27 -0.852 5.631 12.688 80 HA3 GLY 27 HA3 GLY 27 -2.130 5.387 13.874 81 H ASP 28 H ASP 28 -2.477 3.380 14.669 82 HA ASP 28 HA ASP 28 -0.644 1.271 13.774 83 HB2 ASP 28 HB2 ASP 28 -1.230 0.130 15.866 84 HB3 ASP 28 HB3 ASP 28 -0.654 1.763 16.185 85 H ASP 29 H ASP 29 -4.042 2.061 14.144 86 HA ASP 29 HA ASP 29 -5.105 -0.408 13.449 87 HB2 ASP 29 HB2 ASP 29 -6.595 1.133 14.413 88 HB3 ASP 29 HB3 ASP 29 -6.170 2.399 13.267 89 H ARG 30 H ARG 30 -6.209 -1.070 11.521 90 HA ARG 30 HA ARG 30 -5.421 0.268 9.100 91 HB2 ARG 30 HB2 ARG 30 -5.173 -2.056 7.969 92 HB3 ARG 30 HB3 ARG 30 -3.803 -1.365 8.821 93 HG2 ARG 30 HG2 ARG 30 -4.328 -2.757 10.771 94 HG3 ARG 30 HG3 ARG 30 -5.678 -3.469 9.882 95 HD2 ARG 30 HD2 ARG 30 -4.264 -4.532 8.357 96 HD3 ARG 30 HD3 ARG 30 -2.893 -3.506 8.775 97 HE ARG 30 HE ARG 30 -3.963 -5.418 10.732 98 HH11 ARG 30 HH11 ARG 30 -1.371 -4.280 8.688 99 HH12 ARG 30 HH12 ARG 30 -0.141 -5.241 9.470 100 HH21 ARG 30 HH21 ARG 30 -2.342 -6.722 11.755 101 HH22 ARG 30 HH22 ARG 30 -0.704 -6.625 11.193 102 H THR 31 H THR 31 -7.357 0.881 8.417 103 HA THR 31 HA THR 31 -9.639 -0.881 8.785 104 HB THR 31 HB THR 31 -9.498 1.977 7.793 105 HG1 THR 31 HG1 THR 31 -9.079 1.242 10.180 106 HG21 THR 31 HG21 THR 31 -11.484 0.853 6.932 107 HG22 THR 31 HG22 THR 31 -11.926 2.022 8.177 108 HG23 THR 31 HG23 THR 31 -11.892 0.300 8.557 109 H VAL 32 H VAL 32 -10.879 -1.725 7.147 110 HA VAL 32 HA VAL 32 -9.688 -1.973 4.515 111 HB VAL 32 HB VAL 32 -12.388 -2.914 5.517 112 HG11 VAL 32 HG11 VAL 32 -12.381 -4.357 3.523 113 HG12 VAL 32 HG12 VAL 32 -10.893 -3.580 2.982 114 HG13 VAL 32 HG13 VAL 32 -12.382 -2.643 3.107 115 HG21 VAL 32 HG21 VAL 32 -10.613 -4.038 6.709 116 HG22 VAL 32 HG22 VAL 32 -9.791 -4.411 5.193 117 HG23 VAL 32 HG23 VAL 32 -11.349 -5.153 5.557 118 H THR 33 H THR 33 -9.767 -0.086 3.401 119 HA THR 33 HA THR 33 -12.367 1.272 3.276 120 HB THR 33 HB THR 33 -10.915 3.233 2.455 121 HG1 THR 33 HG1 THR 33 -9.026 1.627 2.356 122 HG21 THR 33 HG21 THR 33 -10.613 2.274 5.307 123 HG22 THR 33 HG22 THR 33 -12.002 3.149 4.662 124 HG23 THR 33 HG23 THR 33 -10.426 3.935 4.742 125 H THR 34 H THR 34 -13.031 2.188 1.272 126 HA THR 34 HA THR 34 -12.153 0.579 -1.010 127 HB THR 34 HB THR 34 -14.552 0.522 -0.708 128 HG1 THR 34 HG1 THR 34 -13.457 1.838 -2.902 129 HG21 THR 34 HG21 THR 34 -15.938 2.538 -0.802 130 HG22 THR 34 HG22 THR 34 -14.484 3.536 -0.861 131 HG23 THR 34 HG23 THR 34 -14.838 2.579 0.578 132 H CYS 35 H CYS 35 -10.671 1.484 -2.246 133 HA CYS 35 HA CYS 35 -10.253 4.362 -2.106 134 HB2 CYS 35 HB2 CYS 35 -8.429 2.669 -3.719 135 HB3 CYS 35 HB3 CYS 35 -8.067 3.901 -2.532 136 H ALA 36 H ALA 36 -9.931 5.613 -4.099 137 HA ALA 36 HA ALA 36 -12.229 5.133 -5.775 138 HB1 ALA 36 HB1 ALA 36 -11.721 7.379 -4.968 139 HB2 ALA 36 HB2 ALA 36 -11.716 7.311 -6.730 140 HB3 ALA 36 HB3 ALA 36 -10.190 7.350 -5.844 141 H GLU 37 H GLU 37 -12.082 5.336 -8.133 142 HA GLU 37 HA GLU 37 -10.548 3.443 -9.357 143 HB2 GLU 37 HB2 GLU 37 -12.405 5.450 -10.157 144 HB3 GLU 37 HB3 GLU 37 -11.063 5.465 -11.293 145 HG2 GLU 37 HG2 GLU 37 -11.386 3.175 -11.826 146 HG3 GLU 37 HG3 GLU 37 -12.547 2.974 -10.514 147 H GLU 38 H GLU 38 -9.831 6.877 -9.048 148 HA GLU 38 HA GLU 38 -7.564 7.170 -10.510 149 HB2 GLU 38 HB2 GLU 38 -6.815 8.706 -8.557 150 HB3 GLU 38 HB3 GLU 38 -8.294 9.098 -9.434 151 HG2 GLU 38 HG2 GLU 38 -9.654 8.279 -7.745 152 HG3 GLU 38 HG3 GLU 38 -8.333 7.405 -6.985 153 H GLN 39 H GLN 39 -7.865 5.610 -7.373 154 HA GLN 39 HA GLN 39 -4.980 5.158 -7.377 155 HB2 GLN 39 HB2 GLN 39 -6.802 5.196 -4.968 156 HB3 GLN 39 HB3 GLN 39 -5.059 4.944 -4.953 157 HG2 GLN 39 HG2 GLN 39 -4.840 7.225 -6.001 158 HG3 GLN 39 HG3 GLN 39 -6.553 7.448 -5.679 159 HE21 GLN 39 HE21 GLN 39 -7.255 7.723 -3.590 160 HE22 GLN 39 HE22 GLN 39 -6.174 8.077 -2.280 161 H THR 40 H THR 40 -5.634 3.466 -8.899 162 HA THR 40 HA THR 40 -7.048 1.224 -7.853 163 HB THR 40 HB THR 40 -5.758 0.587 -10.310 164 HG1 THR 40 HG1 THR 40 -7.147 3.037 -10.582 165 HG21 THR 40 HG21 THR 40 -7.980 -0.175 -9.604 166 HG22 THR 40 HG22 THR 40 -8.053 0.634 -11.170 167 HG23 THR 40 HG23 THR 40 -8.585 1.478 -9.715 168 H ARG 41 H ARG 41 -4.251 2.011 -6.850 169 HA ARG 41 HA ARG 41 -3.173 -0.701 -6.941 170 HB2 ARG 41 HB2 ARG 41 -1.598 1.843 -7.230 171 HB3 ARG 41 HB3 ARG 41 -0.873 0.421 -6.507 172 HG2 ARG 41 HG2 ARG 41 -2.076 0.502 -9.248 173 HG3 ARG 41 HG3 ARG 41 -0.367 0.698 -8.894 174 HD2 ARG 41 HD2 ARG 41 -1.241 -1.645 -7.580 175 HD3 ARG 41 HD3 ARG 41 -1.852 -1.708 -9.237 176 HE ARG 41 HE ARG 41 0.995 -1.248 -8.574 177 HH11 ARG 41 HH11 ARG 41 -1.487 -2.761 -10.531 178 HH12 ARG 41 HH12 ARG 41 -0.351 -3.568 -11.563 179 HH21 ARG 41 HH21 ARG 41 2.483 -2.301 -9.920 180 HH22 ARG 41 HH22 ARG 41 1.919 -3.307 -11.215 181 H CYS 42 H CYS 42 -1.294 -0.495 -5.064 182 HA CYS 42 HA CYS 42 -2.595 0.609 -2.753 183 HB2 CYS 42 HB2 CYS 42 -2.019 -2.369 -2.876 184 HB3 CYS 42 HB3 CYS 42 -2.165 -1.472 -1.375 185 H LEU 43 H LEU 43 -1.116 0.554 -0.866 186 HA LEU 43 HA LEU 43 1.686 0.234 -1.676 187 HB2 LEU 43 HB2 LEU 43 0.259 2.429 -0.658 188 HB3 LEU 43 HB3 LEU 43 1.278 1.874 0.653 189 HG LEU 43 HG LEU 43 2.058 3.009 -1.985 190 HD11 LEU 43 HD11 LEU 43 3.528 4.382 -0.590 191 HD12 LEU 43 HD12 LEU 43 2.892 3.564 0.838 192 HD13 LEU 43 HD13 LEU 43 1.823 4.546 -0.166 193 HD21 LEU 43 HD21 LEU 43 3.842 1.349 -0.228 194 HD22 LEU 43 HD22 LEU 43 4.382 2.345 -1.579 195 HD23 LEU 43 HD23 LEU 43 3.330 0.961 -1.872 196 H PHE 44 H PHE 44 2.414 -1.615 -0.832 197 HA PHE 44 HA PHE 44 2.096 -1.914 2.075 198 HB2 PHE 44 HB2 PHE 44 0.983 -3.769 1.059 199 HB3 PHE 44 HB3 PHE 44 2.304 -4.030 -0.070 200 HD1 PHE 44 HD1 PHE 44 2.941 -3.390 3.504 201 HD2 PHE 44 HD2 PHE 44 2.504 -6.335 0.466 202 HE1 PHE 44 HE1 PHE 44 3.954 -5.075 4.990 203 HE2 PHE 44 HE2 PHE 44 3.501 -8.016 1.944 204 HZ PHE 44 HZ PHE 44 4.240 -7.395 4.197 205 H VAL 45 H VAL 45 3.854 -1.103 2.906 206 HA VAL 45 HA VAL 45 6.448 -1.642 1.620 207 HB VAL 45 HB VAL 45 5.864 0.599 3.582 208 HG11 VAL 45 HG11 VAL 45 7.998 1.500 2.781 209 HG12 VAL 45 HG12 VAL 45 8.205 0.084 1.751 210 HG13 VAL 45 HG13 VAL 45 8.186 -0.096 3.505 211 HG21 VAL 45 HG21 VAL 45 4.555 0.993 1.544 212 HG22 VAL 45 HG22 VAL 45 5.999 0.756 0.560 213 HG23 VAL 45 HG23 VAL 45 5.897 2.134 1.652 214 H GLN 46 H GLN 46 8.017 -2.629 2.953 215 HA GLN 46 HA GLN 46 6.884 -3.875 5.360 216 HB2 GLN 46 HB2 GLN 46 9.650 -4.544 4.677 217 HB3 GLN 46 HB3 GLN 46 8.329 -5.590 5.148 218 HG2 GLN 46 HG2 GLN 46 8.627 -4.446 2.386 219 HG3 GLN 46 HG3 GLN 46 9.310 -5.967 2.913 220 HE21 GLN 46 HE21 GLN 46 7.216 -6.851 4.527 221 HE22 GLN 46 HE22 GLN 46 5.889 -7.250 3.494 222 H LEU 47 H LEU 47 7.957 -3.685 7.335 223 HA LEU 47 HA LEU 47 9.955 -1.607 7.573 224 HB2 LEU 47 HB2 LEU 47 7.307 -1.451 9.023 225 HB3 LEU 47 HB3 LEU 47 8.743 -0.634 9.590 226 HG LEU 47 HG LEU 47 7.329 0.936 8.482 227 HD11 LEU 47 HD11 LEU 47 9.705 1.273 8.175 228 HD12 LEU 47 HD12 LEU 47 8.823 1.781 6.734 229 HD13 LEU 47 HD13 LEU 47 9.686 0.243 6.744 230 HD21 LEU 47 HD21 LEU 47 7.327 -1.024 6.229 231 HD22 LEU 47 HD22 LEU 47 6.907 0.670 6.006 232 HD23 LEU 47 HD23 LEU 47 5.955 -0.338 7.100 233 HA PRO 48 HA PRO 48 11.141 -4.440 10.846 234 HB2 PRO 48 HB2 PRO 48 12.778 -2.372 12.037 235 HB3 PRO 48 HB3 PRO 48 13.290 -3.803 11.143 236 HG2 PRO 48 HG2 PRO 48 13.577 -1.261 10.209 237 HG3 PRO 48 HG3 PRO 48 13.416 -2.675 9.158 238 HD2 PRO 48 HD2 PRO 48 11.354 -0.652 9.952 239 HD3 PRO 48 HD3 PRO 48 11.633 -1.417 8.372 240 H TYR 49 H TYR 49 9.142 -1.892 11.140 241 HA TYR 49 HA TYR 49 8.942 -2.104 14.074 242 HB2 TYR 49 HB2 TYR 49 8.146 0.393 12.601 243 HB3 TYR 49 HB3 TYR 49 8.537 0.196 14.305 244 HD1 TYR 49 HD1 TYR 49 10.988 -0.275 14.910 245 HD2 TYR 49 HD2 TYR 49 9.761 1.117 11.081 246 HE1 TYR 49 HE1 TYR 49 13.280 0.493 14.457 247 HE2 TYR 49 HE2 TYR 49 12.047 1.886 10.618 248 HH TYR 49 HH TYR 49 14.060 2.537 11.859 249 H SER 50 H SER 50 7.354 -2.108 11.003 250 HA SER 50 HA SER 50 4.887 -2.879 11.910 251 HB2 SER 50 HB2 SER 50 3.572 -0.755 11.335 252 HB3 SER 50 HB3 SER 50 4.458 -0.740 12.860 253 HG SER 50 HG SER 50 5.467 0.936 12.132 254 H GLU 51 H GLU 51 3.193 -1.904 9.878 255 HA GLU 51 HA GLU 51 4.785 -2.095 7.416 256 HB2 GLU 51 HB2 GLU 51 1.986 -3.123 7.471 257 HB3 GLU 51 HB3 GLU 51 3.377 -3.720 6.582 258 HG2 GLU 51 HG2 GLU 51 3.128 -5.432 8.044 259 HG3 GLU 51 HG3 GLU 51 4.178 -4.402 9.014 260 H ILE 52 H ILE 52 4.231 -0.763 5.726 261 HA ILE 52 HA ILE 52 2.375 1.414 6.370 262 HB ILE 52 HB ILE 52 4.290 1.116 4.071 263 HG12 ILE 52 HG12 ILE 52 5.444 1.686 6.081 264 HG13 ILE 52 HG13 ILE 52 5.289 3.148 5.129 265 HG21 ILE 52 HG21 ILE 52 3.638 3.400 3.441 266 HG22 ILE 52 HG22 ILE 52 2.379 3.366 4.675 267 HG23 ILE 52 HG23 ILE 52 2.297 2.262 3.302 268 HD11 ILE 52 HD11 ILE 52 3.454 3.887 6.511 269 HD12 ILE 52 HD12 ILE 52 4.888 3.556 7.483 270 HD13 ILE 52 HD13 ILE 52 3.558 2.399 7.452 271 H GLN 53 H GLN 53 0.466 1.659 5.316 272 HA GLN 53 HA GLN 53 -0.177 -0.121 3.148 273 HB2 GLN 53 HB2 GLN 53 -2.104 -0.046 5.465 274 HB3 GLN 53 HB3 GLN 53 -2.082 -1.149 4.095 275 HG2 GLN 53 HG2 GLN 53 0.077 -2.060 4.987 276 HG3 GLN 53 HG3 GLN 53 -0.195 -1.093 6.434 277 HE21 GLN 53 HE21 GLN 53 -2.572 -2.828 4.512 278 HE22 GLN 53 HE22 GLN 53 -3.036 -3.931 5.755 279 H GLU 54 H GLU 54 -1.273 1.011 1.683 280 HA GLU 54 HA GLU 54 -3.030 3.235 2.313 281 HB2 GLU 54 HB2 GLU 54 -1.083 4.459 2.602 282 HB3 GLU 54 HB3 GLU 54 -0.153 3.436 1.524 283 HG2 GLU 54 HG2 GLU 54 -0.267 5.509 0.485 284 HG3 GLU 54 HG3 GLU 54 -1.418 4.491 -0.374 285 H CYS 55 H CYS 55 -4.000 4.131 0.311 286 HA CYS 55 HA CYS 55 -3.919 2.170 -1.903 287 HB2 CYS 55 HB2 CYS 55 -5.966 4.379 -1.687 288 HB3 CYS 55 HB3 CYS 55 -6.018 2.935 -2.671 289 H LYS 56 H LYS 56 -3.257 2.992 -3.958 290 HA LYS 56 HA LYS 56 -2.583 5.776 -4.047 291 HB2 LYS 56 HB2 LYS 56 -0.563 4.481 -3.023 292 HB3 LYS 56 HB3 LYS 56 -0.297 3.935 -4.673 293 HG2 LYS 56 HG2 LYS 56 1.033 5.942 -3.997 294 HG3 LYS 56 HG3 LYS 56 0.046 6.159 -5.444 295 HD2 LYS 56 HD2 LYS 56 -0.059 8.094 -3.895 296 HD3 LYS 56 HD3 LYS 56 -1.630 7.347 -4.179 297 HE2 LYS 56 HE2 LYS 56 -1.087 5.986 -2.039 298 HE3 LYS 56 HE3 LYS 56 0.085 7.266 -1.727 299 HZ1 LYS 56 HZ1 LYS 56 -1.724 8.881 -1.850 300 HZ2 LYS 56 HZ2 LYS 56 -2.025 7.724 -0.648 301 HZ3 LYS 56 HZ3 LYS 56 -2.837 7.637 -2.137 302 H THR 57 H THR 57 -1.892 6.425 -6.259 303 HA THR 57 HA THR 57 -3.533 5.071 -8.202 304 HB THR 57 HB THR 57 -2.857 6.767 -9.756 305 HG1 THR 57 HG1 THR 57 -1.299 8.424 -8.783 306 HG21 THR 57 HG21 THR 57 -3.236 8.016 -7.036 307 HG22 THR 57 HG22 THR 57 -4.524 7.457 -8.104 308 HG23 THR 57 HG23 THR 57 -3.504 8.814 -8.586 309 H VAL 58 H VAL 58 -2.752 4.013 -10.054 310 HA VAL 58 HA VAL 58 -0.752 2.224 -9.591 311 HB VAL 58 HB VAL 58 -1.494 3.153 -12.386 312 HG11 VAL 58 HG11 VAL 58 -0.577 0.480 -11.336 313 HG12 VAL 58 HG12 VAL 58 0.364 1.600 -12.321 314 HG13 VAL 58 HG13 VAL 58 -1.063 0.815 -12.998 315 HG21 VAL 58 HG21 VAL 58 -2.971 1.202 -10.622 316 HG22 VAL 58 HG22 VAL 58 -3.315 1.512 -12.321 317 HG23 VAL 58 HG23 VAL 58 -3.543 2.790 -11.128 318 H GLN 59 H GLN 59 -0.499 5.285 -11.405 319 HA GLN 59 HA GLN 59 2.141 4.951 -12.379 320 HB2 GLN 59 HB2 GLN 59 0.968 6.693 -13.412 321 HB3 GLN 59 HB3 GLN 59 0.383 7.334 -11.879 322 HG2 GLN 59 HG2 GLN 59 2.752 7.951 -11.335 323 HG3 GLN 59 HG3 GLN 59 3.171 7.512 -12.992 324 HE21 GLN 59 HE21 GLN 59 3.308 10.058 -11.545 325 HE22 GLN 59 HE22 GLN 59 2.406 11.184 -12.510 326 H GLN 60 H GLN 60 0.923 6.885 -9.658 327 HA GLN 60 HA GLN 60 3.452 7.483 -8.683 328 HB2 GLN 60 HB2 GLN 60 0.855 7.432 -7.132 329 HB3 GLN 60 HB3 GLN 60 2.330 8.256 -6.646 330 HG2 GLN 60 HG2 GLN 60 2.155 9.632 -8.718 331 HG3 GLN 60 HG3 GLN 60 0.581 8.894 -9.007 332 HE21 GLN 60 HE21 GLN 60 1.893 9.755 -5.872 333 HE22 GLN 60 HE22 GLN 60 0.749 11.002 -5.529 334 H CYS 61 H CYS 61 1.619 4.578 -8.299 335 HA CYS 61 HA CYS 61 2.762 3.803 -5.760 336 HB2 CYS 61 HB2 CYS 61 1.613 1.810 -6.022 337 HB3 CYS 61 HB3 CYS 61 0.673 2.809 -7.112 338 H ALA 62 H ALA 62 3.579 3.290 -9.209 339 HA ALA 62 HA ALA 62 5.916 1.857 -8.719 340 HB1 ALA 62 HB1 ALA 62 4.893 2.055 -10.937 341 HB2 ALA 62 HB2 ALA 62 6.601 2.492 -10.974 342 HB3 ALA 62 HB3 ALA 62 5.368 3.753 -11.004 343 H GLU 63 H GLU 63 5.372 5.323 -8.957 344 HA GLU 63 HA GLU 63 7.996 6.225 -8.712 345 HB2 GLU 63 HB2 GLU 63 5.380 7.466 -7.833 346 HB3 GLU 63 HB3 GLU 63 6.892 8.339 -7.924 347 HG2 GLU 63 HG2 GLU 63 7.009 7.893 -10.327 348 HG3 GLU 63 HG3 GLU 63 5.476 7.028 -10.228 349 H VAL 64 H VAL 64 5.542 6.053 -6.141 350 HA VAL 64 HA VAL 64 7.150 6.448 -4.016 351 HB VAL 64 HB VAL 64 5.271 5.689 -2.766 352 HG11 VAL 64 HG11 VAL 64 4.288 7.016 -5.243 353 HG12 VAL 64 HG12 VAL 64 5.062 7.836 -3.885 354 HG13 VAL 64 HG13 VAL 64 3.503 7.044 -3.661 355 HG21 VAL 64 HG21 VAL 64 4.788 3.627 -3.707 356 HG22 VAL 64 HG22 VAL 64 4.396 4.382 -5.247 357 HG23 VAL 64 HG23 VAL 64 3.339 4.624 -3.852 358 H LEU 65 H LEU 65 6.342 3.416 -5.641 359 HA LEU 65 HA LEU 65 7.389 1.625 -3.892 360 HB2 LEU 65 HB2 LEU 65 6.336 1.147 -6.137 361 HB3 LEU 65 HB3 LEU 65 7.884 1.522 -6.870 362 HG LEU 65 HG LEU 65 8.906 -0.336 -5.572 363 HD11 LEU 65 HD11 LEU 65 6.052 -0.986 -4.867 364 HD12 LEU 65 HD12 LEU 65 7.251 -0.336 -3.750 365 HD13 LEU 65 HD13 LEU 65 7.483 -1.933 -4.461 366 HD21 LEU 65 HD21 LEU 65 6.554 -1.124 -7.280 367 HD22 LEU 65 HD22 LEU 65 7.957 -2.125 -6.903 368 HD23 LEU 65 HD23 LEU 65 8.151 -0.667 -7.875 369 H GLU 66 H GLU 66 9.146 3.450 -6.370 370 HA GLU 66 HA GLU 66 11.642 2.326 -5.631 371 HB2 GLU 66 HB2 GLU 66 11.189 3.069 -7.929 372 HB3 GLU 66 HB3 GLU 66 11.060 4.728 -7.363 373 HG2 GLU 66 HG2 GLU 66 13.407 4.671 -6.675 374 HG3 GLU 66 HG3 GLU 66 13.532 3.011 -7.257 375 H GLU 67 H GLU 67 9.929 5.150 -4.565 376 HA GLU 67 HA GLU 67 12.199 6.684 -3.808 377 HB2 GLU 67 HB2 GLU 67 10.615 8.041 -2.581 378 HB3 GLU 67 HB3 GLU 67 9.953 7.653 -4.169 379 HG2 GLU 67 HG2 GLU 67 8.666 5.912 -3.270 380 HG3 GLU 67 HG3 GLU 67 9.356 6.164 -1.681 381 H VAL 68 H VAL 68 9.941 4.555 -2.045 382 HA VAL 68 HA VAL 68 11.510 4.612 0.281 383 HB VAL 68 HB VAL 68 10.086 2.775 1.112 384 HG11 VAL 68 HG11 VAL 68 7.969 4.011 1.029 385 HG12 VAL 68 HG12 VAL 68 8.603 4.997 -0.288 386 HG13 VAL 68 HG13 VAL 68 9.343 5.080 1.310 387 HG21 VAL 68 HG21 VAL 68 8.264 1.914 -0.254 388 HG22 VAL 68 HG22 VAL 68 9.825 1.537 -0.985 389 HG23 VAL 68 HG23 VAL 68 8.841 2.849 -1.635 390 H THR 69 H THR 69 11.412 2.233 -2.376 391 HA THR 69 HA THR 69 13.099 0.443 -1.140 392 HB THR 69 HB THR 69 13.575 -0.435 -3.428 393 HG1 THR 69 HG1 THR 69 12.984 1.943 -4.224 394 HG21 THR 69 HG21 THR 69 11.665 -1.224 -2.138 395 HG22 THR 69 HG22 THR 69 11.283 -1.162 -3.859 396 HG23 THR 69 HG23 THR 69 10.685 0.096 -2.777 397 H ALA 70 H ALA 70 13.868 3.376 -2.838 398 HA ALA 70 HA ALA 70 16.625 2.900 -3.081 399 HB1 ALA 70 HB1 ALA 70 15.424 4.645 -4.333 400 HB2 ALA 70 HB2 ALA 70 16.828 5.290 -3.483 401 HB3 ALA 70 HB3 ALA 70 15.208 5.556 -2.838 402 H ILE 71 H ILE 71 14.669 3.695 -0.395 403 HA ILE 71 HA ILE 71 16.872 4.671 1.240 404 HB ILE 71 HB ILE 71 14.145 3.886 2.267 405 HG12 ILE 71 HG12 ILE 71 14.907 6.585 1.127 406 HG13 ILE 71 HG13 ILE 71 13.874 5.414 0.317 407 HG21 ILE 71 HG21 ILE 71 14.628 5.620 3.946 408 HG22 ILE 71 HG22 ILE 71 16.189 5.911 3.181 409 HG23 ILE 71 HG23 ILE 71 15.854 4.351 3.933 410 HD11 ILE 71 HD11 ILE 71 13.284 6.748 2.949 411 HD12 ILE 71 HD12 ILE 71 12.245 5.596 2.111 412 HD13 ILE 71 HD13 ILE 71 12.577 7.170 1.388 413 H GLY 72 H GLY 72 15.704 1.737 0.174 414 HA2 GLY 72 HA2 GLY 72 16.692 -0.298 0.759 415 HA3 GLY 72 HA3 GLY 72 16.992 0.331 2.372 416 H TYR 73 H TYR 73 13.858 1.072 1.548 417 HA TYR 73 HA TYR 73 12.905 -1.050 3.308 418 HB2 TYR 73 HB2 TYR 73 11.693 1.556 2.398 419 HB3 TYR 73 HB3 TYR 73 10.802 0.348 3.309 420 HD1 TYR 73 HD1 TYR 73 11.774 -0.353 5.589 421 HD2 TYR 73 HD2 TYR 73 12.969 3.163 3.514 422 HE1 TYR 73 HE1 TYR 73 12.635 0.587 7.692 423 HE2 TYR 73 HE2 TYR 73 13.835 4.113 5.612 424 HH TYR 73 HH TYR 73 13.535 3.866 8.004 425 HA PRO 74 HA PRO 74 11.432 -3.261 -0.346 426 HB2 PRO 74 HB2 PRO 74 10.099 -4.719 1.880 427 HB3 PRO 74 HB3 PRO 74 11.016 -5.357 0.527 428 HG2 PRO 74 HG2 PRO 74 12.100 -5.315 2.924 429 HG3 PRO 74 HG3 PRO 74 13.072 -4.840 1.514 430 HD2 PRO 74 HD2 PRO 74 11.733 -3.107 3.561 431 HD3 PRO 74 HD3 PRO 74 13.341 -2.956 2.831 432 H ALA 75 H ALA 75 9.595 -2.848 -1.487 433 HA ALA 75 HA ALA 75 7.081 -2.487 -0.010 434 HB1 ALA 75 HB1 ALA 75 8.153 -0.632 -2.132 435 HB2 ALA 75 HB2 ALA 75 8.086 -0.291 -0.401 436 HB3 ALA 75 HB3 ALA 75 6.593 -0.493 -1.318 437 H LYS 76 H LYS 76 5.162 -2.570 -1.382 438 HA LYS 76 HA LYS 76 5.523 -3.297 -4.184 439 HB2 LYS 76 HB2 LYS 76 3.662 -5.052 -3.809 440 HB3 LYS 76 HB3 LYS 76 5.306 -5.483 -3.430 441 HG2 LYS 76 HG2 LYS 76 4.831 -4.963 -1.044 442 HG3 LYS 76 HG3 LYS 76 3.156 -4.701 -1.503 443 HD2 LYS 76 HD2 LYS 76 3.322 -6.908 -0.667 444 HD3 LYS 76 HD3 LYS 76 3.101 -7.002 -2.415 445 HE2 LYS 76 HE2 LYS 76 4.778 -8.553 -1.735 446 HE3 LYS 76 HE3 LYS 76 5.532 -7.276 -2.675 447 HZ1 LYS 76 HZ1 LYS 76 6.832 -7.861 -0.707 448 HZ2 LYS 76 HZ2 LYS 76 5.531 -7.470 0.296 449 HZ3 LYS 76 HZ3 LYS 76 6.286 -6.261 -0.615 450 H CYS 77 H CYS 77 4.072 -2.225 -5.424 451 HA CYS 77 HA CYS 77 1.483 -1.693 -4.182 452 HB2 CYS 77 HB2 CYS 77 1.139 -0.013 -5.893 453 HB3 CYS 77 HB3 CYS 77 2.675 0.266 -5.094 454 H CYS 78 H CYS 78 0.511 -3.691 -4.486 455 HA CYS 78 HA CYS 78 0.239 -4.688 -7.140 456 HB2 CYS 78 HB2 CYS 78 -1.174 -6.418 -5.758 457 HB3 CYS 78 HB3 CYS 78 0.579 -6.356 -5.583 458 H CYS 79 H CYS 79 -1.912 -5.574 -7.894 459 HA CYS 79 HA CYS 79 -4.053 -3.625 -7.392 460 HB2 CYS 79 HB2 CYS 79 -3.280 -4.955 -9.984 461 HB3 CYS 79 HB3 CYS 79 -4.914 -4.394 -9.700 462 HG CYS 79 HG CYS 79 -4.210 -1.723 -9.378 463 H GLU 80 H GLU 80 -5.134 -4.718 -5.888 464 HA GLU 80 HA GLU 80 -6.927 -6.781 -6.533 465 HB2 GLU 80 HB2 GLU 80 -5.059 -8.297 -6.556 466 HB3 GLU 80 HB3 GLU 80 -4.384 -7.598 -5.100 467 HG2 GLU 80 HG2 GLU 80 -6.527 -8.424 -3.952 468 HG3 GLU 80 HG3 GLU 80 -6.745 -9.412 -5.396 469 H ASP 81 H ASP 81 -8.394 -7.065 -4.739 470 HA ASP 81 HA ASP 81 -8.486 -4.785 -3.027 471 HB2 ASP 81 HB2 ASP 81 -10.017 -7.382 -2.794 472 HB3 ASP 81 HB3 ASP 81 -10.313 -5.936 -1.830 473 H LEU 82 H LEU 82 -7.564 -4.471 -1.193 474 HA LEU 82 HA LEU 82 -6.603 -4.787 0.836 475 HB2 LEU 82 HB2 LEU 82 -7.504 -7.664 0.693 476 HB3 LEU 82 HB3 LEU 82 -7.139 -6.736 2.127 477 HG LEU 82 HG LEU 82 -9.393 -6.707 2.254 478 HD11 LEU 82 HD11 LEU 82 -8.793 -4.390 2.092 479 HD12 LEU 82 HD12 LEU 82 -10.398 -4.680 1.419 480 HD13 LEU 82 HD13 LEU 82 -9.019 -4.449 0.344 481 HD21 LEU 82 HD21 LEU 82 -10.917 -6.669 0.267 482 HD22 LEU 82 HD22 LEU 82 -9.983 -8.135 0.556 483 HD23 LEU 82 HD23 LEU 82 -9.471 -7.002 -0.688 484 H CYS 83 H CYS 83 -5.365 -5.805 -1.871 485 HA CYS 83 HA CYS 83 -3.735 -7.952 -1.370 486 HB2 CYS 83 HB2 CYS 83 -2.587 -7.448 -3.361 487 HB3 CYS 83 HB3 CYS 83 -4.181 -6.739 -3.583 488 H ASN 84 H ASN 84 -3.386 -4.833 -0.070 489 HA ASN 84 HA ASN 84 -0.495 -4.875 0.087 490 HB2 ASN 84 HB2 ASN 84 -0.674 -2.751 1.207 491 HB3 ASN 84 HB3 ASN 84 -1.681 -2.743 -0.232 492 HD21 ASN 84 HD21 ASN 84 -1.863 -0.999 1.950 493 HD22 ASN 84 HD22 ASN 84 -3.432 -1.186 2.657 494 H ARG 85 H ARG 85 -2.475 -6.820 1.415 495 HA ARG 85 HA ARG 85 -2.019 -6.495 4.247 496 HB2 ARG 85 HB2 ARG 85 -3.222 -8.657 4.418 497 HB3 ARG 85 HB3 ARG 85 -4.115 -7.467 3.478 498 HG2 ARG 85 HG2 ARG 85 -3.101 -8.548 1.418 499 HG3 ARG 85 HG3 ARG 85 -2.588 -9.855 2.484 500 HD2 ARG 85 HD2 ARG 85 -4.726 -10.601 2.820 501 HD3 ARG 85 HD3 ARG 85 -5.439 -9.007 2.557 502 HE ARG 85 HE ARG 85 -4.212 -10.229 0.228 503 HH11 ARG 85 HH11 ARG 85 -7.163 -9.852 2.071 504 HH12 ARG 85 HH12 ARG 85 -8.200 -10.016 0.695 505 HH21 ARG 85 HH21 ARG 85 -5.572 -10.399 -1.616 506 HH22 ARG 85 HH22 ARG 85 -7.295 -10.338 -1.399 507 H SER 86 H SER 86 -0.479 -8.156 1.603 508 HA SER 86 HA SER 86 1.511 -9.235 3.275 509 HB2 SER 86 HB2 SER 86 -0.363 -11.245 1.993 510 HB3 SER 86 HB3 SER 86 1.163 -11.636 2.786 511 HG SER 86 HG SER 86 -0.285 -10.146 4.451 512 H GLU 87 H GLU 87 2.919 -10.820 1.840 513 HA GLU 87 HA GLU 87 3.826 -9.444 -0.317 514 HB2 GLU 87 HB2 GLU 87 4.134 -12.400 0.234 515 HB3 GLU 87 HB3 GLU 87 5.143 -11.467 -0.864 516 HG2 GLU 87 HG2 GLU 87 4.877 -10.985 2.101 517 HG3 GLU 87 HG3 GLU 87 6.221 -11.813 1.305 518 H GLN 88 H GLN 88 1.358 -11.904 -0.282 519 HA GLN 88 HA GLN 88 -0.020 -12.775 -1.857 520 HB2 GLN 88 HB2 GLN 88 0.522 -10.113 -3.187 521 HB3 GLN 88 HB3 GLN 88 -0.775 -11.216 -3.625 522 HG2 GLN 88 HG2 GLN 88 -0.454 -9.924 -0.928 523 HG3 GLN 88 HG3 GLN 88 -1.524 -9.351 -2.205 524 HE21 GLN 88 HE21 GLN 88 -2.334 -11.958 -3.082 525 HE22 GLN 88 HE22 GLN 88 -3.378 -12.596 -1.867 Start of MODEL 9 1 H MET 18 H MET 18 -12.290 4.591 -11.387 2 HA MET 18 HA MET 18 -12.694 2.295 -11.376 3 HB2 MET 18 HB2 MET 18 -10.893 1.591 -12.833 4 HB3 MET 18 HB3 MET 18 -9.692 2.018 -11.624 5 HG2 MET 18 HG2 MET 18 -10.032 -0.386 -11.735 6 HG3 MET 18 HG3 MET 18 -10.505 0.256 -10.163 7 HE1 MET 18 HE1 MET 18 -13.055 -2.651 -10.574 8 HE2 MET 18 HE2 MET 18 -11.857 -1.890 -9.524 9 HE3 MET 18 HE3 MET 18 -11.353 -2.639 -11.041 10 H ALA 19 H ALA 19 -13.374 1.867 -9.335 11 HA ALA 19 HA ALA 19 -11.922 3.052 -7.092 12 HB1 ALA 19 HB1 ALA 19 -14.565 1.594 -7.130 13 HB2 ALA 19 HB2 ALA 19 -14.358 3.344 -7.133 14 HB3 ALA 19 HB3 ALA 19 -13.840 2.398 -5.738 15 H LEU 20 H LEU 20 -11.201 1.730 -5.334 16 HA LEU 20 HA LEU 20 -11.011 -1.115 -5.862 17 HB2 LEU 20 HB2 LEU 20 -9.032 -0.052 -6.978 18 HB3 LEU 20 HB3 LEU 20 -8.523 0.540 -5.411 19 HG LEU 20 HG LEU 20 -8.284 -1.796 -4.626 20 HD11 LEU 20 HD11 LEU 20 -8.328 -3.615 -6.267 21 HD12 LEU 20 HD12 LEU 20 -8.918 -2.490 -7.490 22 HD13 LEU 20 HD13 LEU 20 -9.912 -2.862 -6.082 23 HD21 LEU 20 HD21 LEU 20 -6.269 -2.301 -5.890 24 HD22 LEU 20 HD22 LEU 20 -6.370 -0.575 -5.548 25 HD23 LEU 20 HD23 LEU 20 -6.764 -1.179 -7.156 26 H LYS 21 H LYS 21 -10.038 -2.248 -3.935 27 HA LYS 21 HA LYS 21 -10.381 -0.691 -1.460 28 HB2 LYS 21 HB2 LYS 21 -11.235 -3.450 -2.230 29 HB3 LYS 21 HB3 LYS 21 -10.892 -3.093 -0.544 30 HG2 LYS 21 HG2 LYS 21 -12.672 -1.627 -0.358 31 HG3 LYS 21 HG3 LYS 21 -12.771 -1.370 -2.102 32 HD2 LYS 21 HD2 LYS 21 -14.589 -2.797 -1.102 33 HD3 LYS 21 HD3 LYS 21 -13.711 -3.516 -2.453 34 HE2 LYS 21 HE2 LYS 21 -12.233 -4.424 -0.412 35 HE3 LYS 21 HE3 LYS 21 -13.793 -4.273 0.398 36 HZ1 LYS 21 HZ1 LYS 21 -13.259 -5.791 -2.108 37 HZ2 LYS 21 HZ2 LYS 21 -14.773 -5.637 -1.359 38 HZ3 LYS 21 HZ3 LYS 21 -13.528 -6.467 -0.574 39 H CYS 22 H CYS 22 -8.356 -0.310 -0.699 40 HA CYS 22 HA CYS 22 -6.689 -2.701 -0.274 41 HB2 CYS 22 HB2 CYS 22 -5.673 0.141 -0.423 42 HB3 CYS 22 HB3 CYS 22 -4.735 -1.346 -0.499 43 H PHE 23 H PHE 23 -5.281 -2.552 1.674 44 HA PHE 23 HA PHE 23 -6.809 -1.660 3.975 45 HB2 PHE 23 HB2 PHE 23 -4.304 -3.218 3.540 46 HB3 PHE 23 HB3 PHE 23 -4.496 -2.377 5.071 47 HD1 PHE 23 HD1 PHE 23 -6.156 -3.054 6.659 48 HD2 PHE 23 HD2 PHE 23 -5.693 -5.126 2.974 49 HE1 PHE 23 HE1 PHE 23 -7.461 -4.928 7.560 50 HE2 PHE 23 HE2 PHE 23 -7.000 -7.011 3.871 51 HZ PHE 23 HZ PHE 23 -7.889 -6.913 6.162 52 H THR 24 H THR 24 -6.591 0.317 4.837 53 HA THR 24 HA THR 24 -4.179 1.851 4.134 54 HB THR 24 HB THR 24 -6.941 2.982 4.663 55 HG1 THR 24 HG1 THR 24 -7.128 2.596 2.588 56 HG21 THR 24 HG21 THR 24 -5.159 4.455 5.491 57 HG22 THR 24 HG22 THR 24 -5.953 5.145 4.074 58 HG23 THR 24 HG23 THR 24 -4.369 4.385 3.915 59 H ARG 25 H ARG 25 -3.228 3.033 5.823 60 HA ARG 25 HA ARG 25 -3.694 1.794 8.422 61 HB2 ARG 25 HB2 ARG 25 -1.526 3.726 7.575 62 HB3 ARG 25 HB3 ARG 25 -1.568 2.786 9.060 63 HG2 ARG 25 HG2 ARG 25 -1.486 1.553 6.319 64 HG3 ARG 25 HG3 ARG 25 -0.048 1.912 7.277 65 HD2 ARG 25 HD2 ARG 25 -2.224 0.332 8.543 66 HD3 ARG 25 HD3 ARG 25 -1.216 -0.462 7.334 67 HE ARG 25 HE ARG 25 0.719 0.111 8.728 68 HH11 ARG 25 HH11 ARG 25 -2.452 0.229 10.207 69 HH12 ARG 25 HH12 ARG 25 -1.858 -0.064 11.813 70 HH21 ARG 25 HH21 ARG 25 1.505 -0.282 10.829 71 HH22 ARG 25 HH22 ARG 25 0.401 -0.354 12.164 72 H ASN 26 H ASN 26 -5.088 2.744 9.753 73 HA ASN 26 HA ASN 26 -5.412 5.668 9.624 74 HB2 ASN 26 HB2 ASN 26 -7.224 3.664 11.000 75 HB3 ASN 26 HB3 ASN 26 -7.488 5.401 10.893 76 HD21 ASN 26 HD21 ASN 26 -7.818 2.370 9.364 77 HD22 ASN 26 HD22 ASN 26 -8.593 2.932 7.920 78 H GLY 27 H GLY 27 -3.376 5.878 10.683 79 HA2 GLY 27 HA2 GLY 27 -2.254 6.471 12.653 80 HA3 GLY 27 HA3 GLY 27 -3.593 5.814 13.590 81 H ASP 28 H ASP 28 -3.303 3.885 14.511 82 HA ASP 28 HA ASP 28 -1.061 2.235 13.632 83 HB2 ASP 28 HB2 ASP 28 -1.390 1.049 15.769 84 HB3 ASP 28 HB3 ASP 28 -1.204 2.783 16.015 85 H ASP 29 H ASP 29 -4.410 2.421 13.318 86 HA ASP 29 HA ASP 29 -4.972 -0.358 13.074 87 HB2 ASP 29 HB2 ASP 29 -6.823 0.913 13.709 88 HB3 ASP 29 HB3 ASP 29 -6.487 2.175 12.525 89 H ARG 30 H ARG 30 -5.646 -1.492 11.213 90 HA ARG 30 HA ARG 30 -5.166 -0.230 8.675 91 HB2 ARG 30 HB2 ARG 30 -4.301 -2.451 7.722 92 HB3 ARG 30 HB3 ARG 30 -3.170 -1.432 8.589 93 HG2 ARG 30 HG2 ARG 30 -3.349 -2.843 10.551 94 HG3 ARG 30 HG3 ARG 30 -4.571 -3.834 9.746 95 HD2 ARG 30 HD2 ARG 30 -3.028 -4.675 8.195 96 HD3 ARG 30 HD3 ARG 30 -1.851 -3.414 8.551 97 HE ARG 30 HE ARG 30 -2.469 -5.221 10.734 98 HH11 ARG 30 HH11 ARG 30 -0.378 -4.511 8.018 99 HH12 ARG 30 HH12 ARG 30 0.990 -5.369 8.683 100 HH21 ARG 30 HH21 ARG 30 -0.643 -6.376 11.590 101 HH22 ARG 30 HH22 ARG 30 0.833 -6.412 10.677 102 H THR 31 H THR 31 -7.242 -0.166 8.043 103 HA THR 31 HA THR 31 -8.723 -2.703 8.066 104 HB THR 31 HB THR 31 -10.724 -0.987 7.968 105 HG1 THR 31 HG1 THR 31 -8.971 0.584 9.524 106 HG21 THR 31 HG21 THR 31 -10.349 -2.574 9.786 107 HG22 THR 31 HG22 THR 31 -10.830 -0.998 10.418 108 HG23 THR 31 HG23 THR 31 -9.140 -1.498 10.487 109 H VAL 32 H VAL 32 -10.685 -2.549 6.483 110 HA VAL 32 HA VAL 32 -9.578 -2.297 3.815 111 HB VAL 32 HB VAL 32 -12.312 -3.145 4.798 112 HG11 VAL 32 HG11 VAL 32 -11.307 -2.976 1.955 113 HG12 VAL 32 HG12 VAL 32 -12.574 -1.985 2.676 114 HG13 VAL 32 HG13 VAL 32 -12.825 -3.717 2.462 115 HG21 VAL 32 HG21 VAL 32 -10.585 -4.813 5.139 116 HG22 VAL 32 HG22 VAL 32 -10.091 -4.671 3.450 117 HG23 VAL 32 HG23 VAL 32 -11.680 -5.320 3.851 118 H THR 33 H THR 33 -9.495 -0.265 2.975 119 HA THR 33 HA THR 33 -11.933 1.330 3.271 120 HB THR 33 HB THR 33 -10.482 3.253 2.589 121 HG1 THR 33 HG1 THR 33 -8.811 1.474 1.846 122 HG21 THR 33 HG21 THR 33 -9.336 3.448 4.766 123 HG22 THR 33 HG22 THR 33 -9.651 1.738 5.070 124 HG23 THR 33 HG23 THR 33 -10.995 2.873 4.938 125 H THR 34 H THR 34 -13.017 2.042 1.547 126 HA THR 34 HA THR 34 -12.333 0.988 -1.076 127 HB THR 34 HB THR 34 -14.656 0.846 -0.708 128 HG1 THR 34 HG1 THR 34 -14.118 3.220 -2.190 129 HG21 THR 34 HG21 THR 34 -14.800 2.256 1.267 130 HG22 THR 34 HG22 THR 34 -16.040 2.710 0.097 131 HG23 THR 34 HG23 THR 34 -14.589 3.699 0.275 132 H CYS 35 H CYS 35 -10.955 2.098 -2.255 133 HA CYS 35 HA CYS 35 -10.172 4.733 -1.348 134 HB2 CYS 35 HB2 CYS 35 -8.786 3.593 -3.673 135 HB3 CYS 35 HB3 CYS 35 -8.142 4.188 -2.159 136 H ALA 36 H ALA 36 -9.380 6.199 -3.340 137 HA ALA 36 HA ALA 36 -11.878 7.058 -4.525 138 HB1 ALA 36 HB1 ALA 36 -10.310 8.726 -3.678 139 HB2 ALA 36 HB2 ALA 36 -10.578 8.912 -5.411 140 HB3 ALA 36 HB3 ALA 36 -9.092 8.165 -4.824 141 H GLU 37 H GLU 37 -11.492 7.754 -7.021 142 HA GLU 37 HA GLU 37 -11.626 5.061 -8.079 143 HB2 GLU 37 HB2 GLU 37 -13.232 5.833 -9.441 144 HB3 GLU 37 HB3 GLU 37 -13.299 7.161 -8.305 145 HG2 GLU 37 HG2 GLU 37 -13.213 8.324 -10.234 146 HG3 GLU 37 HG3 GLU 37 -11.482 8.166 -9.925 147 H GLU 38 H GLU 38 -9.595 7.897 -8.268 148 HA GLU 38 HA GLU 38 -8.177 6.953 -10.549 149 HB2 GLU 38 HB2 GLU 38 -6.794 8.800 -10.330 150 HB3 GLU 38 HB3 GLU 38 -8.336 9.357 -9.693 151 HG2 GLU 38 HG2 GLU 38 -6.095 8.309 -8.045 152 HG3 GLU 38 HG3 GLU 38 -6.372 10.020 -8.356 153 H GLN 39 H GLN 39 -8.168 6.152 -7.277 154 HA GLN 39 HA GLN 39 -5.426 5.221 -7.132 155 HB2 GLN 39 HB2 GLN 39 -7.755 5.339 -5.281 156 HB3 GLN 39 HB3 GLN 39 -6.586 4.051 -5.015 157 HG2 GLN 39 HG2 GLN 39 -4.912 5.492 -4.449 158 HG3 GLN 39 HG3 GLN 39 -5.586 6.821 -5.388 159 HE21 GLN 39 HE21 GLN 39 -7.110 8.103 -4.507 160 HE22 GLN 39 HE22 GLN 39 -7.425 8.131 -2.802 161 H THR 40 H THR 40 -4.783 3.207 -7.637 162 HA THR 40 HA THR 40 -6.787 1.307 -8.513 163 HB THR 40 HB THR 40 -5.111 1.130 -10.635 164 HG1 THR 40 HG1 THR 40 -5.433 3.932 -10.203 165 HG21 THR 40 HG21 THR 40 -6.852 2.279 -11.923 166 HG22 THR 40 HG22 THR 40 -7.530 2.933 -10.431 167 HG23 THR 40 HG23 THR 40 -7.561 1.194 -10.728 168 H ARG 41 H ARG 41 -4.305 1.778 -6.642 169 HA ARG 41 HA ARG 41 -3.359 -0.910 -6.903 170 HB2 ARG 41 HB2 ARG 41 -1.372 1.373 -6.925 171 HB3 ARG 41 HB3 ARG 41 -0.951 -0.278 -6.515 172 HG2 ARG 41 HG2 ARG 41 -2.051 0.633 -9.144 173 HG3 ARG 41 HG3 ARG 41 -0.362 0.283 -8.798 174 HD2 ARG 41 HD2 ARG 41 -2.372 -1.827 -8.237 175 HD3 ARG 41 HD3 ARG 41 -1.945 -1.505 -9.917 176 HE ARG 41 HE ARG 41 0.096 -2.130 -7.884 177 HH11 ARG 41 HH11 ARG 41 -1.395 -2.666 -10.997 178 HH12 ARG 41 HH12 ARG 41 -0.174 -3.767 -11.544 179 HH21 ARG 41 HH21 ARG 41 1.719 -3.582 -8.581 180 HH22 ARG 41 HH22 ARG 41 1.609 -4.287 -10.166 181 H CYS 42 H CYS 42 -1.515 -0.950 -5.004 182 HA CYS 42 HA CYS 42 -2.695 0.222 -2.655 183 HB2 CYS 42 HB2 CYS 42 -2.238 -2.770 -2.609 184 HB3 CYS 42 HB3 CYS 42 -3.043 -1.768 -1.408 185 H LEU 43 H LEU 43 -1.095 0.741 -1.236 186 HA LEU 43 HA LEU 43 1.624 -0.035 -2.017 187 HB2 LEU 43 HB2 LEU 43 0.573 2.387 -1.221 188 HB3 LEU 43 HB3 LEU 43 1.329 1.799 0.246 189 HG LEU 43 HG LEU 43 2.622 2.460 -2.379 190 HD11 LEU 43 HD11 LEU 43 4.058 3.840 -0.967 191 HD12 LEU 43 HD12 LEU 43 3.133 3.334 0.448 192 HD13 LEU 43 HD13 LEU 43 2.356 4.279 -0.823 193 HD21 LEU 43 HD21 LEU 43 3.881 0.929 -0.117 194 HD22 LEU 43 HD22 LEU 43 4.721 1.567 -1.530 195 HD23 LEU 43 HD23 LEU 43 3.514 0.296 -1.722 196 H PHE 44 H PHE 44 2.714 -1.497 -0.910 197 HA PHE 44 HA PHE 44 2.112 -1.845 1.945 198 HB2 PHE 44 HB2 PHE 44 1.317 -3.868 0.909 199 HB3 PHE 44 HB3 PHE 44 2.769 -3.995 -0.086 200 HD1 PHE 44 HD1 PHE 44 1.736 -3.924 3.506 201 HD2 PHE 44 HD2 PHE 44 4.466 -5.382 0.585 202 HE1 PHE 44 HE1 PHE 44 2.824 -5.319 5.218 203 HE2 PHE 44 HE2 PHE 44 5.557 -6.776 2.289 204 HZ PHE 44 HZ PHE 44 4.746 -6.744 4.610 205 H VAL 45 H VAL 45 3.772 -0.727 2.827 206 HA VAL 45 HA VAL 45 6.473 -1.276 1.788 207 HB VAL 45 HB VAL 45 5.747 0.864 3.794 208 HG11 VAL 45 HG11 VAL 45 7.918 1.814 3.142 209 HG12 VAL 45 HG12 VAL 45 8.191 0.426 2.088 210 HG13 VAL 45 HG13 VAL 45 8.072 0.197 3.833 211 HG21 VAL 45 HG21 VAL 45 4.567 1.312 1.690 212 HG22 VAL 45 HG22 VAL 45 6.085 1.167 0.806 213 HG23 VAL 45 HG23 VAL 45 5.858 2.481 1.960 214 H GLN 46 H GLN 46 7.907 -2.332 3.065 215 HA GLN 46 HA GLN 46 6.803 -3.514 5.520 216 HB2 GLN 46 HB2 GLN 46 7.225 -5.345 4.191 217 HB3 GLN 46 HB3 GLN 46 8.533 -4.554 3.332 218 HG2 GLN 46 HG2 GLN 46 9.560 -6.247 4.526 219 HG3 GLN 46 HG3 GLN 46 9.878 -4.802 5.452 220 HE21 GLN 46 HE21 GLN 46 7.038 -4.842 6.474 221 HE22 GLN 46 HE22 GLN 46 7.040 -6.054 7.702 222 H LEU 47 H LEU 47 7.703 -2.842 7.374 223 HA LEU 47 HA LEU 47 10.287 -1.436 7.236 224 HB2 LEU 47 HB2 LEU 47 7.969 -0.757 9.062 225 HB3 LEU 47 HB3 LEU 47 9.535 0.011 9.081 226 HG LEU 47 HG LEU 47 7.954 1.478 8.068 227 HD11 LEU 47 HD11 LEU 47 9.675 0.286 5.907 228 HD12 LEU 47 HD12 LEU 47 10.210 1.457 7.112 229 HD13 LEU 47 HD13 LEU 47 8.986 1.910 5.925 230 HD21 LEU 47 HD21 LEU 47 7.297 -0.788 6.226 231 HD22 LEU 47 HD22 LEU 47 6.811 0.881 5.951 232 HD23 LEU 47 HD23 LEU 47 6.231 0.019 7.377 233 HA PRO 48 HA PRO 48 11.397 -4.210 10.560 234 HB2 PRO 48 HB2 PRO 48 13.154 -2.203 11.721 235 HB3 PRO 48 HB3 PRO 48 13.576 -3.686 10.863 236 HG2 PRO 48 HG2 PRO 48 14.011 -1.217 9.838 237 HG3 PRO 48 HG3 PRO 48 13.686 -2.635 8.829 238 HD2 PRO 48 HD2 PRO 48 11.828 -0.439 9.669 239 HD3 PRO 48 HD3 PRO 48 11.991 -1.231 8.086 240 H TYR 49 H TYR 49 9.121 -2.268 11.019 241 HA TYR 49 HA TYR 49 9.193 -2.215 13.892 242 HB2 TYR 49 HB2 TYR 49 8.475 0.344 12.438 243 HB3 TYR 49 HB3 TYR 49 8.532 0.091 14.177 244 HD1 TYR 49 HD1 TYR 49 10.745 -0.203 15.301 245 HD2 TYR 49 HD2 TYR 49 10.414 0.927 11.213 246 HE1 TYR 49 HE1 TYR 49 13.073 0.588 15.336 247 HE2 TYR 49 HE2 TYR 49 12.737 1.721 11.234 248 HH TYR 49 HH TYR 49 14.403 2.499 12.861 249 H SER 50 H SER 50 7.427 -1.113 11.044 250 HA SER 50 HA SER 50 5.189 -2.770 11.681 251 HB2 SER 50 HB2 SER 50 3.527 -0.891 11.498 252 HB3 SER 50 HB3 SER 50 4.506 -0.826 12.961 253 HG SER 50 HG SER 50 5.480 0.931 12.259 254 H GLU 51 H GLU 51 3.443 -2.067 9.697 255 HA GLU 51 HA GLU 51 5.158 -1.516 7.395 256 HB2 GLU 51 HB2 GLU 51 2.497 -2.928 7.277 257 HB3 GLU 51 HB3 GLU 51 3.867 -3.071 6.188 258 HG2 GLU 51 HG2 GLU 51 4.077 -5.045 7.269 259 HG3 GLU 51 HG3 GLU 51 5.019 -4.043 8.372 260 H ILE 52 H ILE 52 4.287 -0.422 5.572 261 HA ILE 52 HA ILE 52 2.326 1.637 6.331 262 HB ILE 52 HB ILE 52 4.222 1.658 4.002 263 HG12 ILE 52 HG12 ILE 52 5.401 1.989 6.092 264 HG13 ILE 52 HG13 ILE 52 5.280 3.492 5.211 265 HG21 ILE 52 HG21 ILE 52 3.463 3.967 3.691 266 HG22 ILE 52 HG22 ILE 52 2.292 3.748 4.993 267 HG23 ILE 52 HG23 ILE 52 2.143 2.811 3.506 268 HD11 ILE 52 HD11 ILE 52 3.536 2.717 7.514 269 HD12 ILE 52 HD12 ILE 52 3.517 4.258 6.655 270 HD13 ILE 52 HD13 ILE 52 4.929 3.794 7.603 271 H GLN 53 H GLN 53 0.480 1.845 5.064 272 HA GLN 53 HA GLN 53 0.102 0.079 2.879 273 HB2 GLN 53 HB2 GLN 53 -1.769 -0.296 5.226 274 HB3 GLN 53 HB3 GLN 53 -1.791 -1.171 3.701 275 HG2 GLN 53 HG2 GLN 53 0.415 -2.135 4.273 276 HG3 GLN 53 HG3 GLN 53 0.324 -1.328 5.838 277 HE21 GLN 53 HE21 GLN 53 -2.371 -2.801 4.159 278 HE22 GLN 53 HE22 GLN 53 -2.618 -4.080 5.290 279 H GLU 54 H GLU 54 -1.052 1.203 1.452 280 HA GLU 54 HA GLU 54 -3.294 2.872 2.245 281 HB2 GLU 54 HB2 GLU 54 -2.101 4.757 0.843 282 HB3 GLU 54 HB3 GLU 54 -1.786 4.605 2.554 283 HG2 GLU 54 HG2 GLU 54 0.170 3.062 1.735 284 HG3 GLU 54 HG3 GLU 54 -0.044 3.971 0.235 285 H CYS 55 H CYS 55 -4.695 3.319 0.538 286 HA CYS 55 HA CYS 55 -4.242 2.128 -1.996 287 HB2 CYS 55 HB2 CYS 55 -6.254 4.250 -1.184 288 HB3 CYS 55 HB3 CYS 55 -6.306 3.335 -2.675 289 H LYS 56 H LYS 56 -3.321 2.952 -3.764 290 HA LYS 56 HA LYS 56 -2.981 5.818 -3.986 291 HB2 LYS 56 HB2 LYS 56 -0.696 3.925 -3.755 292 HB3 LYS 56 HB3 LYS 56 -0.602 5.045 -5.103 293 HG2 LYS 56 HG2 LYS 56 0.591 5.879 -3.149 294 HG3 LYS 56 HG3 LYS 56 -0.759 6.932 -3.577 295 HD2 LYS 56 HD2 LYS 56 -2.103 5.995 -1.815 296 HD3 LYS 56 HD3 LYS 56 -0.853 4.811 -1.455 297 HE2 LYS 56 HE2 LYS 56 0.540 6.393 -0.480 298 HE3 LYS 56 HE3 LYS 56 -0.240 7.719 -1.308 299 HZ1 LYS 56 HZ1 LYS 56 -1.192 8.027 0.675 300 HZ2 LYS 56 HZ2 LYS 56 -0.947 6.433 1.176 301 HZ3 LYS 56 HZ3 LYS 56 -2.256 6.816 0.160 302 H THR 57 H THR 57 -1.689 5.880 -6.399 303 HA THR 57 HA THR 57 -3.722 4.573 -8.070 304 HB THR 57 HB THR 57 -3.239 6.088 -9.819 305 HG1 THR 57 HG1 THR 57 -1.461 7.732 -9.310 306 HG21 THR 57 HG21 THR 57 -3.157 7.621 -7.222 307 HG22 THR 57 HG22 THR 57 -4.600 7.105 -8.096 308 HG23 THR 57 HG23 THR 57 -3.530 8.319 -8.798 309 H VAL 58 H VAL 58 -2.826 3.490 -10.076 310 HA VAL 58 HA VAL 58 -0.780 1.789 -9.552 311 HB VAL 58 HB VAL 58 -1.453 2.834 -12.336 312 HG11 VAL 58 HG11 VAL 58 0.650 1.632 -12.328 313 HG12 VAL 58 HG12 VAL 58 -0.594 0.664 -13.119 314 HG13 VAL 58 HG13 VAL 58 -0.097 0.282 -11.471 315 HG21 VAL 58 HG21 VAL 58 -2.577 0.457 -10.861 316 HG22 VAL 58 HG22 VAL 58 -2.963 0.938 -12.512 317 HG23 VAL 58 HG23 VAL 58 -3.423 1.975 -11.163 318 H GLN 59 H GLN 59 -0.520 4.895 -11.274 319 HA GLN 59 HA GLN 59 2.218 4.718 -11.974 320 HB2 GLN 59 HB2 GLN 59 1.201 6.396 -13.163 321 HB3 GLN 59 HB3 GLN 59 0.178 6.877 -11.816 322 HG2 GLN 59 HG2 GLN 59 2.015 8.019 -10.761 323 HG3 GLN 59 HG3 GLN 59 3.130 7.436 -11.995 324 HE21 GLN 59 HE21 GLN 59 3.693 9.610 -12.369 325 HE22 GLN 59 HE22 GLN 59 2.676 10.627 -13.338 326 H GLN 60 H GLN 60 0.591 6.469 -9.335 327 HA GLN 60 HA GLN 60 2.868 7.347 -8.042 328 HB2 GLN 60 HB2 GLN 60 0.175 6.599 -6.871 329 HB3 GLN 60 HB3 GLN 60 1.431 7.439 -5.977 330 HG2 GLN 60 HG2 GLN 60 0.437 8.584 -8.544 331 HG3 GLN 60 HG3 GLN 60 -0.527 8.750 -7.082 332 HE21 GLN 60 HE21 GLN 60 3.004 8.800 -7.340 333 HE22 GLN 60 HE22 GLN 60 3.180 10.429 -6.798 334 H CYS 61 H CYS 61 1.469 4.116 -7.985 335 HA CYS 61 HA CYS 61 2.667 3.415 -5.429 336 HB2 CYS 61 HB2 CYS 61 1.581 1.383 -5.641 337 HB3 CYS 61 HB3 CYS 61 0.576 2.339 -6.709 338 H ALA 62 H ALA 62 3.451 2.996 -8.881 339 HA ALA 62 HA ALA 62 5.809 1.518 -8.406 340 HB1 ALA 62 HB1 ALA 62 4.738 1.563 -10.594 341 HB2 ALA 62 HB2 ALA 62 6.408 2.113 -10.717 342 HB3 ALA 62 HB3 ALA 62 5.091 3.284 -10.750 343 H GLU 63 H GLU 63 5.102 4.924 -8.669 344 HA GLU 63 HA GLU 63 7.704 5.942 -8.557 345 HB2 GLU 63 HB2 GLU 63 5.001 7.040 -7.795 346 HB3 GLU 63 HB3 GLU 63 6.446 8.024 -7.734 347 HG2 GLU 63 HG2 GLU 63 6.794 7.785 -10.089 348 HG3 GLU 63 HG3 GLU 63 5.505 6.587 -10.200 349 H VAL 64 H VAL 64 5.323 5.758 -5.896 350 HA VAL 64 HA VAL 64 7.009 6.271 -3.852 351 HB VAL 64 HB VAL 64 5.221 5.349 -2.502 352 HG11 VAL 64 HG11 VAL 64 4.164 6.876 -4.829 353 HG12 VAL 64 HG12 VAL 64 4.924 7.575 -3.398 354 HG13 VAL 64 HG13 VAL 64 3.382 6.733 -3.252 355 HG21 VAL 64 HG21 VAL 64 4.685 3.371 -3.552 356 HG22 VAL 64 HG22 VAL 64 4.274 4.223 -5.037 357 HG23 VAL 64 HG23 VAL 64 3.239 4.384 -3.610 358 H LEU 65 H LEU 65 6.265 3.176 -5.384 359 HA LEU 65 HA LEU 65 7.468 1.467 -3.641 360 HB2 LEU 65 HB2 LEU 65 6.331 0.682 -5.622 361 HB3 LEU 65 HB3 LEU 65 7.528 1.430 -6.658 362 HG LEU 65 HG LEU 65 9.219 -0.159 -5.895 363 HD11 LEU 65 HD11 LEU 65 8.423 -0.503 -3.633 364 HD12 LEU 65 HD12 LEU 65 8.582 -2.043 -4.476 365 HD13 LEU 65 HD13 LEU 65 6.988 -1.324 -4.244 366 HD21 LEU 65 HD21 LEU 65 8.261 -2.187 -6.862 367 HD22 LEU 65 HD22 LEU 65 7.862 -0.759 -7.819 368 HD23 LEU 65 HD23 LEU 65 6.652 -1.477 -6.752 369 H GLU 66 H GLU 66 9.058 3.240 -6.285 370 HA GLU 66 HA GLU 66 11.599 2.203 -5.598 371 HB2 GLU 66 HB2 GLU 66 11.010 2.849 -7.907 372 HB3 GLU 66 HB3 GLU 66 10.935 4.531 -7.402 373 HG2 GLU 66 HG2 GLU 66 13.316 4.458 -6.835 374 HG3 GLU 66 HG3 GLU 66 13.383 2.778 -7.365 375 H GLU 67 H GLU 67 9.879 5.015 -4.555 376 HA GLU 67 HA GLU 67 12.149 6.604 -3.928 377 HB2 GLU 67 HB2 GLU 67 10.587 7.991 -2.719 378 HB3 GLU 67 HB3 GLU 67 9.872 7.512 -4.261 379 HG2 GLU 67 HG2 GLU 67 8.637 5.816 -3.239 380 HG3 GLU 67 HG3 GLU 67 9.388 6.135 -1.686 381 H VAL 68 H VAL 68 9.987 4.504 -2.010 382 HA VAL 68 HA VAL 68 11.656 4.663 0.251 383 HB VAL 68 HB VAL 68 10.263 2.843 1.207 384 HG11 VAL 68 HG11 VAL 68 8.179 4.135 1.254 385 HG12 VAL 68 HG12 VAL 68 8.756 5.102 -0.105 386 HG13 VAL 68 HG13 VAL 68 9.597 5.167 1.444 387 HG21 VAL 68 HG21 VAL 68 8.844 2.944 -1.450 388 HG22 VAL 68 HG22 VAL 68 8.326 2.039 -0.027 389 HG23 VAL 68 HG23 VAL 68 9.820 1.602 -0.855 390 H THR 69 H THR 69 11.502 2.248 -2.366 391 HA THR 69 HA THR 69 13.215 0.474 -1.091 392 HB THR 69 HB THR 69 13.634 -0.466 -3.376 393 HG1 THR 69 HG1 THR 69 13.321 1.525 -4.532 394 HG21 THR 69 HG21 THR 69 11.820 -1.274 -1.971 395 HG22 THR 69 HG22 THR 69 11.353 -1.283 -3.672 396 HG23 THR 69 HG23 THR 69 10.763 -0.013 -2.601 397 H ALA 70 H ALA 70 13.897 3.333 -2.967 398 HA ALA 70 HA ALA 70 16.643 2.898 -3.284 399 HB1 ALA 70 HB1 ALA 70 16.813 5.283 -3.710 400 HB2 ALA 70 HB2 ALA 70 15.223 5.546 -2.995 401 HB3 ALA 70 HB3 ALA 70 15.375 4.627 -4.494 402 H ILE 71 H ILE 71 14.792 3.756 -0.536 403 HA ILE 71 HA ILE 71 17.027 4.719 1.013 404 HB ILE 71 HB ILE 71 14.337 3.851 2.079 405 HG12 ILE 71 HG12 ILE 71 15.089 6.578 1.006 406 HG13 ILE 71 HG13 ILE 71 14.055 5.427 0.174 407 HG21 ILE 71 HG21 ILE 71 16.369 5.860 3.054 408 HG22 ILE 71 HG22 ILE 71 16.038 4.277 3.760 409 HG23 ILE 71 HG23 ILE 71 14.807 5.539 3.808 410 HD11 ILE 71 HD11 ILE 71 12.436 5.568 1.994 411 HD12 ILE 71 HD12 ILE 71 12.748 7.146 1.270 412 HD13 ILE 71 HD13 ILE 71 13.473 6.731 2.824 413 H GLY 72 H GLY 72 15.885 1.718 0.053 414 HA2 GLY 72 HA2 GLY 72 16.938 -0.285 0.608 415 HA3 GLY 72 HA3 GLY 72 17.380 0.398 2.165 416 H TYR 73 H TYR 73 14.119 0.936 1.467 417 HA TYR 73 HA TYR 73 13.432 -1.026 3.516 418 HB2 TYR 73 HB2 TYR 73 12.053 1.450 2.505 419 HB3 TYR 73 HB3 TYR 73 11.221 0.255 3.486 420 HD1 TYR 73 HD1 TYR 73 12.431 -0.387 5.729 421 HD2 TYR 73 HD2 TYR 73 13.130 3.206 3.562 422 HE1 TYR 73 HE1 TYR 73 13.319 0.662 7.767 423 HE2 TYR 73 HE2 TYR 73 14.018 4.266 5.595 424 HH TYR 73 HH TYR 73 13.904 4.023 7.997 425 HA PRO 74 HA PRO 74 11.542 -3.798 0.533 426 HB2 PRO 74 HB2 PRO 74 9.907 -4.308 2.987 427 HB3 PRO 74 HB3 PRO 74 10.678 -5.467 1.917 428 HG2 PRO 74 HG2 PRO 74 11.776 -4.995 4.228 429 HG3 PRO 74 HG3 PRO 74 12.806 -5.042 2.780 430 HD2 PRO 74 HD2 PRO 74 11.758 -2.666 4.277 431 HD3 PRO 74 HD3 PRO 74 13.378 -2.971 3.632 432 H ALA 75 H ALA 75 10.037 -3.022 -0.913 433 HA ALA 75 HA ALA 75 7.418 -2.266 0.197 434 HB1 ALA 75 HB1 ALA 75 8.985 -0.770 -1.896 435 HB2 ALA 75 HB2 ALA 75 8.716 -0.255 -0.228 436 HB3 ALA 75 HB3 ALA 75 7.356 -0.373 -1.348 437 H LYS 76 H LYS 76 5.623 -2.497 -1.179 438 HA LYS 76 HA LYS 76 6.018 -3.456 -3.915 439 HB2 LYS 76 HB2 LYS 76 3.908 -4.956 -2.601 440 HB3 LYS 76 HB3 LYS 76 5.214 -5.540 -3.606 441 HG2 LYS 76 HG2 LYS 76 6.562 -5.046 -1.331 442 HG3 LYS 76 HG3 LYS 76 4.972 -5.409 -0.672 443 HD2 LYS 76 HD2 LYS 76 6.189 -7.450 -0.741 444 HD3 LYS 76 HD3 LYS 76 4.989 -7.513 -2.032 445 HE2 LYS 76 HE2 LYS 76 6.667 -6.964 -3.678 446 HE3 LYS 76 HE3 LYS 76 7.876 -6.732 -2.416 447 HZ1 LYS 76 HZ1 LYS 76 8.144 -8.882 -3.443 448 HZ2 LYS 76 HZ2 LYS 76 6.541 -9.293 -3.106 449 HZ3 LYS 76 HZ3 LYS 76 7.644 -9.090 -1.834 450 H CYS 77 H CYS 77 4.242 -2.920 -5.282 451 HA CYS 77 HA CYS 77 1.771 -2.250 -3.867 452 HB2 CYS 77 HB2 CYS 77 1.287 -0.507 -5.464 453 HB3 CYS 77 HB3 CYS 77 2.858 -0.212 -4.739 454 H CYS 78 H CYS 78 0.436 -3.823 -4.205 455 HA CYS 78 HA CYS 78 0.305 -5.167 -6.761 456 HB2 CYS 78 HB2 CYS 78 -1.201 -6.709 -5.389 457 HB3 CYS 78 HB3 CYS 78 0.481 -6.586 -4.873 458 H CYS 79 H CYS 79 -2.123 -6.047 -7.177 459 HA CYS 79 HA CYS 79 -3.959 -3.821 -6.990 460 HB2 CYS 79 HB2 CYS 79 -2.916 -3.471 -9.186 461 HB3 CYS 79 HB3 CYS 79 -3.313 -5.120 -9.646 462 HG CYS 79 HG CYS 79 -6.114 -4.644 -9.480 463 H GLU 80 H GLU 80 -5.285 -4.888 -5.702 464 HA GLU 80 HA GLU 80 -7.188 -6.745 -6.575 465 HB2 GLU 80 HB2 GLU 80 -5.557 -8.464 -6.639 466 HB3 GLU 80 HB3 GLU 80 -4.749 -7.883 -5.198 467 HG2 GLU 80 HG2 GLU 80 -7.026 -8.513 -4.051 468 HG3 GLU 80 HG3 GLU 80 -7.203 -9.545 -5.471 469 H ASP 81 H ASP 81 -8.824 -6.830 -4.953 470 HA ASP 81 HA ASP 81 -8.856 -5.036 -2.950 471 HB2 ASP 81 HB2 ASP 81 -10.214 -7.736 -2.768 472 HB3 ASP 81 HB3 ASP 81 -10.575 -6.347 -1.760 473 H LEU 82 H LEU 82 -7.634 -4.707 -1.273 474 HA LEU 82 HA LEU 82 -6.783 -5.009 0.817 475 HB2 LEU 82 HB2 LEU 82 -7.725 -7.869 0.788 476 HB3 LEU 82 HB3 LEU 82 -7.431 -6.847 2.169 477 HG LEU 82 HG LEU 82 -9.658 -6.721 2.252 478 HD11 LEU 82 HD11 LEU 82 -9.256 -4.836 -0.026 479 HD12 LEU 82 HD12 LEU 82 -9.225 -4.460 1.695 480 HD13 LEU 82 HD13 LEU 82 -10.732 -4.958 0.929 481 HD21 LEU 82 HD21 LEU 82 -11.174 -7.184 0.356 482 HD22 LEU 82 HD22 LEU 82 -10.082 -8.498 0.790 483 HD23 LEU 82 HD23 LEU 82 -9.738 -7.500 -0.620 484 H CYS 83 H CYS 83 -5.582 -6.108 -1.850 485 HA CYS 83 HA CYS 83 -4.055 -8.330 -1.298 486 HB2 CYS 83 HB2 CYS 83 -2.789 -7.826 -3.281 487 HB3 CYS 83 HB3 CYS 83 -4.463 -7.354 -3.550 488 H ASN 84 H ASN 84 -3.320 -4.975 -0.604 489 HA ASN 84 HA ASN 84 -0.590 -5.436 -0.016 490 HB2 ASN 84 HB2 ASN 84 -0.537 -3.177 0.855 491 HB3 ASN 84 HB3 ASN 84 -1.434 -3.220 -0.656 492 HD21 ASN 84 HD21 ASN 84 -1.455 -1.286 1.487 493 HD22 ASN 84 HD22 ASN 84 -3.098 -1.168 2.033 494 H ARG 85 H ARG 85 -2.839 -6.937 1.406 495 HA ARG 85 HA ARG 85 -2.537 -6.576 4.196 496 HB2 ARG 85 HB2 ARG 85 -3.509 -8.774 4.385 497 HB3 ARG 85 HB3 ARG 85 -4.309 -7.968 3.042 498 HG2 ARG 85 HG2 ARG 85 -2.647 -9.170 1.536 499 HG3 ARG 85 HG3 ARG 85 -2.242 -10.148 2.945 500 HD2 ARG 85 HD2 ARG 85 -3.834 -11.424 1.824 501 HD3 ARG 85 HD3 ARG 85 -4.766 -10.618 3.086 502 HE ARG 85 HE ARG 85 -5.525 -9.047 1.364 503 HH11 ARG 85 HH11 ARG 85 -4.100 -12.059 0.264 504 HH12 ARG 85 HH12 ARG 85 -4.934 -12.032 -1.262 505 HH21 ARG 85 HH21 ARG 85 -6.631 -9.050 -0.672 506 HH22 ARG 85 HH22 ARG 85 -6.329 -10.343 -1.802 507 H SER 86 H SER 86 -0.617 -7.930 1.712 508 HA SER 86 HA SER 86 1.626 -8.358 3.390 509 HB2 SER 86 HB2 SER 86 0.431 -10.806 2.045 510 HB3 SER 86 HB3 SER 86 1.965 -10.750 2.911 511 HG SER 86 HG SER 86 0.109 -9.788 4.533 512 H GLU 87 H GLU 87 3.253 -9.774 1.654 513 HA GLU 87 HA GLU 87 3.634 -8.166 -0.513 514 HB2 GLU 87 HB2 GLU 87 4.381 -11.087 -0.298 515 HB3 GLU 87 HB3 GLU 87 5.092 -9.928 -1.414 516 HG2 GLU 87 HG2 GLU 87 5.793 -8.602 0.624 517 HG3 GLU 87 HG3 GLU 87 5.343 -10.019 1.576 518 H GLN 88 H GLN 88 2.169 -11.398 -0.566 519 HA GLN 88 HA GLN 88 0.796 -12.452 -2.040 520 HB2 GLN 88 HB2 GLN 88 -0.447 -9.701 -2.176 521 HB3 GLN 88 HB3 GLN 88 -1.225 -11.200 -2.665 522 HG2 GLN 88 HG2 GLN 88 -0.233 -10.708 0.128 523 HG3 GLN 88 HG3 GLN 88 -1.857 -10.286 -0.402 524 HE21 GLN 88 HE21 GLN 88 -0.228 -13.144 -1.587 525 HE22 GLN 88 HE22 GLN 88 -1.212 -14.283 -0.744 Start of MODEL 10 1 H MET 18 H MET 18 -16.165 1.919 -11.604 2 HA MET 18 HA MET 18 -16.136 0.317 -9.773 3 HB2 MET 18 HB2 MET 18 -13.555 0.933 -11.219 4 HB3 MET 18 HB3 MET 18 -13.745 -0.494 -10.214 5 HG2 MET 18 HG2 MET 18 -14.068 -1.015 -12.558 6 HG3 MET 18 HG3 MET 18 -15.548 -1.281 -11.640 7 HE1 MET 18 HE1 MET 18 -16.731 -0.111 -15.233 8 HE2 MET 18 HE2 MET 18 -16.811 -1.406 -14.040 9 HE3 MET 18 HE3 MET 18 -15.289 -1.056 -14.860 10 H ALA 19 H ALA 19 -13.808 -0.416 -8.434 11 HA ALA 19 HA ALA 19 -12.397 1.610 -7.116 12 HB1 ALA 19 HB1 ALA 19 -14.651 0.433 -5.488 13 HB2 ALA 19 HB2 ALA 19 -14.538 2.105 -6.040 14 HB3 ALA 19 HB3 ALA 19 -13.366 1.478 -4.881 15 H LEU 20 H LEU 20 -10.974 0.758 -5.492 16 HA LEU 20 HA LEU 20 -10.921 -2.179 -5.330 17 HB2 LEU 20 HB2 LEU 20 -9.137 -1.319 -6.893 18 HB3 LEU 20 HB3 LEU 20 -8.464 -0.426 -5.545 19 HG LEU 20 HG LEU 20 -8.084 -2.578 -4.357 20 HD11 LEU 20 HD11 LEU 20 -9.833 -3.872 -5.501 21 HD12 LEU 20 HD12 LEU 20 -8.259 -4.664 -5.574 22 HD13 LEU 20 HD13 LEU 20 -8.883 -3.815 -6.987 23 HD21 LEU 20 HD21 LEU 20 -6.285 -1.530 -5.615 24 HD22 LEU 20 HD22 LEU 20 -6.823 -2.342 -7.086 25 HD23 LEU 20 HD23 LEU 20 -6.189 -3.287 -5.739 26 H LYS 21 H LYS 21 -10.593 -2.890 -3.172 27 HA LYS 21 HA LYS 21 -10.386 -0.702 -1.279 28 HB2 LYS 21 HB2 LYS 21 -11.063 -3.590 -0.740 29 HB3 LYS 21 HB3 LYS 21 -11.305 -2.227 0.345 30 HG2 LYS 21 HG2 LYS 21 -12.838 -1.270 -1.432 31 HG3 LYS 21 HG3 LYS 21 -12.763 -2.859 -2.198 32 HD2 LYS 21 HD2 LYS 21 -14.684 -2.925 -0.846 33 HD3 LYS 21 HD3 LYS 21 -13.448 -3.800 0.064 34 HE2 LYS 21 HE2 LYS 21 -12.984 -1.742 1.347 35 HE3 LYS 21 HE3 LYS 21 -14.291 -0.935 0.484 36 HZ1 LYS 21 HZ1 LYS 21 -15.855 -2.494 1.416 37 HZ2 LYS 21 HZ2 LYS 21 -14.980 -1.763 2.667 38 HZ3 LYS 21 HZ3 LYS 21 -14.614 -3.344 2.190 39 H CYS 22 H CYS 22 -8.463 -0.167 -0.549 40 HA CYS 22 HA CYS 22 -6.498 -2.302 -0.057 41 HB2 CYS 22 HB2 CYS 22 -5.817 0.626 -0.292 42 HB3 CYS 22 HB3 CYS 22 -4.733 -0.757 -0.376 43 H PHE 23 H PHE 23 -5.274 -2.047 1.951 44 HA PHE 23 HA PHE 23 -6.976 -1.179 4.131 45 HB2 PHE 23 HB2 PHE 23 -4.203 -2.368 4.038 46 HB3 PHE 23 HB3 PHE 23 -4.957 -1.831 5.532 47 HD1 PHE 23 HD1 PHE 23 -7.386 -2.828 5.915 48 HD2 PHE 23 HD2 PHE 23 -4.360 -4.578 3.491 49 HE1 PHE 23 HE1 PHE 23 -8.449 -5.028 6.184 50 HE2 PHE 23 HE2 PHE 23 -5.416 -6.782 3.755 51 HZ PHE 23 HZ PHE 23 -7.465 -7.011 5.104 52 H THR 24 H THR 24 -6.664 0.654 5.379 53 HA THR 24 HA THR 24 -4.308 2.282 4.752 54 HB THR 24 HB THR 24 -5.875 4.019 6.055 55 HG1 THR 24 HG1 THR 24 -7.850 2.613 4.624 56 HG21 THR 24 HG21 THR 24 -6.650 4.813 3.879 57 HG22 THR 24 HG22 THR 24 -6.243 3.257 3.153 58 HG23 THR 24 HG23 THR 24 -4.966 4.295 3.789 59 H ARG 25 H ARG 25 -2.900 2.846 6.310 60 HA ARG 25 HA ARG 25 -3.080 1.356 8.801 61 HB2 ARG 25 HB2 ARG 25 -1.029 1.501 7.275 62 HB3 ARG 25 HB3 ARG 25 -0.825 3.136 7.884 63 HG2 ARG 25 HG2 ARG 25 0.611 1.790 9.155 64 HG3 ARG 25 HG3 ARG 25 -0.775 2.129 10.195 65 HD2 ARG 25 HD2 ARG 25 -1.701 -0.042 9.769 66 HD3 ARG 25 HD3 ARG 25 -0.465 -0.382 8.557 67 HE ARG 25 HE ARG 25 1.147 -0.185 10.497 68 HH11 ARG 25 HH11 ARG 25 -2.124 -1.333 10.812 69 HH12 ARG 25 HH12 ARG 25 -1.838 -2.160 12.311 70 HH21 ARG 25 HH21 ARG 25 1.559 -1.337 12.455 71 HH22 ARG 25 HH22 ARG 25 0.255 -2.161 13.252 72 H ASN 26 H ASN 26 -4.270 2.351 10.368 73 HA ASN 26 HA ASN 26 -3.455 5.083 11.120 74 HB2 ASN 26 HB2 ASN 26 -5.489 5.269 9.794 75 HB3 ASN 26 HB3 ASN 26 -6.284 4.060 10.795 76 HD21 ASN 26 HD21 ASN 26 -7.927 5.385 11.446 77 HD22 ASN 26 HD22 ASN 26 -7.695 6.725 12.511 78 H GLY 27 H GLY 27 -2.872 5.148 13.210 79 HA2 GLY 27 HA2 GLY 27 -2.555 4.497 15.395 80 HA3 GLY 27 HA3 GLY 27 -4.286 4.201 15.323 81 H ASP 28 H ASP 28 -1.914 2.463 13.476 82 HA ASP 28 HA ASP 28 -1.203 0.330 13.390 83 HB2 ASP 28 HB2 ASP 28 -0.913 0.776 16.009 84 HB3 ASP 28 HB3 ASP 28 -2.174 -0.455 16.086 85 H ASP 29 H ASP 29 -4.393 1.215 13.834 86 HA ASP 29 HA ASP 29 -5.454 -1.367 13.244 87 HB2 ASP 29 HB2 ASP 29 -6.953 0.208 14.273 88 HB3 ASP 29 HB3 ASP 29 -6.643 1.409 13.021 89 H ARG 30 H ARG 30 -6.563 -1.834 11.178 90 HA ARG 30 HA ARG 30 -5.229 -0.528 8.959 91 HB2 ARG 30 HB2 ARG 30 -5.149 -2.714 7.720 92 HB3 ARG 30 HB3 ARG 30 -4.018 -2.601 9.059 93 HG2 ARG 30 HG2 ARG 30 -5.853 -3.804 10.417 94 HG3 ARG 30 HG3 ARG 30 -6.518 -4.224 8.838 95 HD2 ARG 30 HD2 ARG 30 -5.137 -6.032 9.443 96 HD3 ARG 30 HD3 ARG 30 -4.216 -5.107 8.258 97 HE ARG 30 HE ARG 30 -3.760 -4.909 11.168 98 HH11 ARG 30 HH11 ARG 30 -2.561 -5.048 7.889 99 HH12 ARG 30 HH12 ARG 30 -0.885 -4.957 8.346 100 HH21 ARG 30 HH21 ARG 30 -1.540 -4.840 11.783 101 HH22 ARG 30 HH22 ARG 30 -0.306 -4.868 10.549 102 H THR 31 H THR 31 -6.907 0.562 8.215 103 HA THR 31 HA THR 31 -9.550 -0.511 8.436 104 HB THR 31 HB THR 31 -8.740 2.108 7.166 105 HG1 THR 31 HG1 THR 31 -8.765 1.305 9.873 106 HG21 THR 31 HG21 THR 31 -10.951 2.836 7.986 107 HG22 THR 31 HG22 THR 31 -11.254 1.203 8.577 108 HG23 THR 31 HG23 THR 31 -11.071 1.495 6.847 109 H VAL 32 H VAL 32 -10.825 -1.307 6.841 110 HA VAL 32 HA VAL 32 -9.613 -1.791 4.236 111 HB VAL 32 HB VAL 32 -12.406 -2.505 5.156 112 HG11 VAL 32 HG11 VAL 32 -12.343 -4.126 3.338 113 HG12 VAL 32 HG12 VAL 32 -10.723 -3.583 2.899 114 HG13 VAL 32 HG13 VAL 32 -12.094 -2.488 2.735 115 HG21 VAL 32 HG21 VAL 32 -10.803 -3.565 6.634 116 HG22 VAL 32 HG22 VAL 32 -9.905 -4.183 5.248 117 HG23 VAL 32 HG23 VAL 32 -11.539 -4.763 5.570 118 H THR 33 H THR 33 -9.534 0.118 3.165 119 HA THR 33 HA THR 33 -11.997 1.682 3.003 120 HB THR 33 HB THR 33 -10.267 3.417 2.053 121 HG1 THR 33 HG1 THR 33 -8.579 1.648 2.198 122 HG21 THR 33 HG21 THR 33 -11.532 3.694 4.117 123 HG22 THR 33 HG22 THR 33 -9.861 4.214 4.336 124 HG23 THR 33 HG23 THR 33 -10.391 2.657 4.971 125 H THR 34 H THR 34 -12.525 2.752 0.995 126 HA THR 34 HA THR 34 -12.026 0.956 -1.269 127 HB THR 34 HB THR 34 -14.404 1.235 -0.761 128 HG1 THR 34 HG1 THR 34 -13.640 2.652 -3.114 129 HG21 THR 34 HG21 THR 34 -13.951 4.180 -1.233 130 HG22 THR 34 HG22 THR 34 -14.285 3.429 0.327 131 HG23 THR 34 HG23 THR 34 -15.508 3.403 -0.947 132 H CYS 35 H CYS 35 -10.808 1.714 -2.907 133 HA CYS 35 HA CYS 35 -10.286 4.605 -3.007 134 HB2 CYS 35 HB2 CYS 35 -8.242 2.849 -4.175 135 HB3 CYS 35 HB3 CYS 35 -8.081 4.152 -3.023 136 H ALA 36 H ALA 36 -9.702 5.444 -5.225 137 HA ALA 36 HA ALA 36 -11.930 4.566 -6.917 138 HB1 ALA 36 HB1 ALA 36 -11.733 6.724 -7.973 139 HB2 ALA 36 HB2 ALA 36 -10.256 7.063 -7.064 140 HB3 ALA 36 HB3 ALA 36 -11.802 6.921 -6.221 141 H GLU 37 H GLU 37 -11.449 5.250 -9.296 142 HA GLU 37 HA GLU 37 -10.033 3.186 -10.375 143 HB2 GLU 37 HB2 GLU 37 -11.238 5.671 -11.442 144 HB3 GLU 37 HB3 GLU 37 -10.112 4.824 -12.494 145 HG2 GLU 37 HG2 GLU 37 -12.377 4.123 -12.929 146 HG3 GLU 37 HG3 GLU 37 -11.429 2.795 -12.274 147 H GLU 38 H GLU 38 -8.916 6.516 -9.906 148 HA GLU 38 HA GLU 38 -6.528 6.221 -11.442 149 HB2 GLU 38 HB2 GLU 38 -5.893 8.325 -10.656 150 HB3 GLU 38 HB3 GLU 38 -7.642 8.403 -10.809 151 HG2 GLU 38 HG2 GLU 38 -6.196 7.797 -8.284 152 HG3 GLU 38 HG3 GLU 38 -6.716 9.415 -8.745 153 H GLN 39 H GLN 39 -7.559 5.180 -8.383 154 HA GLN 39 HA GLN 39 -4.791 4.611 -7.605 155 HB2 GLN 39 HB2 GLN 39 -7.169 4.905 -5.764 156 HB3 GLN 39 HB3 GLN 39 -5.516 4.560 -5.273 157 HG2 GLN 39 HG2 GLN 39 -4.890 6.763 -6.330 158 HG3 GLN 39 HG3 GLN 39 -6.612 7.090 -6.447 159 HE21 GLN 39 HE21 GLN 39 -7.781 7.501 -4.627 160 HE22 GLN 39 HE22 GLN 39 -7.038 7.843 -3.094 161 H THR 40 H THR 40 -6.041 2.955 -9.397 162 HA THR 40 HA THR 40 -7.187 0.742 -8.096 163 HB THR 40 HB THR 40 -6.274 -0.328 -10.422 164 HG1 THR 40 HG1 THR 40 -6.853 2.318 -11.199 165 HG21 THR 40 HG21 THR 40 -8.453 0.258 -11.363 166 HG22 THR 40 HG22 THR 40 -8.672 1.486 -10.115 167 HG23 THR 40 HG23 THR 40 -8.609 -0.220 -9.672 168 H ARG 41 H ARG 41 -4.677 1.510 -6.903 169 HA ARG 41 HA ARG 41 -3.433 -1.077 -6.948 170 HB2 ARG 41 HB2 ARG 41 -1.642 1.366 -6.937 171 HB3 ARG 41 HB3 ARG 41 -1.158 -0.303 -6.777 172 HG2 ARG 41 HG2 ARG 41 -2.404 0.872 -9.231 173 HG3 ARG 41 HG3 ARG 41 -0.680 0.603 -8.985 174 HD2 ARG 41 HD2 ARG 41 -1.329 -1.845 -8.539 175 HD3 ARG 41 HD3 ARG 41 -2.880 -1.422 -9.256 176 HE ARG 41 HE ARG 41 -1.796 -1.029 -11.320 177 HH11 ARG 41 HH11 ARG 41 0.354 -2.260 -8.851 178 HH12 ARG 41 HH12 ARG 41 1.538 -2.829 -9.976 179 HH21 ARG 41 HH21 ARG 41 -0.235 -1.774 -12.819 180 HH22 ARG 41 HH22 ARG 41 1.201 -2.551 -12.246 181 H CYS 42 H CYS 42 -1.508 -0.540 -5.010 182 HA CYS 42 HA CYS 42 -2.927 0.437 -2.771 183 HB2 CYS 42 HB2 CYS 42 -2.486 -2.562 -2.809 184 HB3 CYS 42 HB3 CYS 42 -3.087 -1.622 -1.453 185 H LEU 43 H LEU 43 -1.424 1.038 -1.252 186 HA LEU 43 HA LEU 43 1.344 0.286 -1.887 187 HB2 LEU 43 HB2 LEU 43 0.442 2.725 -1.818 188 HB3 LEU 43 HB3 LEU 43 0.554 2.538 -0.075 189 HG LEU 43 HG LEU 43 2.525 3.572 -1.576 190 HD11 LEU 43 HD11 LEU 43 2.411 3.519 0.858 191 HD12 LEU 43 HD12 LEU 43 4.025 3.140 0.254 192 HD13 LEU 43 HD13 LEU 43 2.976 1.847 0.842 193 HD21 LEU 43 HD21 LEU 43 3.185 0.638 -1.386 194 HD22 LEU 43 HD22 LEU 43 4.303 1.915 -1.864 195 HD23 LEU 43 HD23 LEU 43 2.901 1.548 -2.870 196 H PHE 44 H PHE 44 2.358 -1.057 -0.609 197 HA PHE 44 HA PHE 44 1.964 -0.861 2.291 198 HB2 PHE 44 HB2 PHE 44 0.704 -2.801 1.808 199 HB3 PHE 44 HB3 PHE 44 1.850 -3.352 0.594 200 HD1 PHE 44 HD1 PHE 44 1.393 -2.853 4.244 201 HD2 PHE 44 HD2 PHE 44 3.566 -4.802 1.152 202 HE1 PHE 44 HE1 PHE 44 2.513 -4.269 5.921 203 HE2 PHE 44 HE2 PHE 44 4.688 -6.207 2.819 204 HZ PHE 44 HZ PHE 44 4.177 -5.945 5.197 205 H VAL 45 H VAL 45 3.888 -0.537 3.263 206 HA VAL 45 HA VAL 45 6.307 -1.242 1.738 207 HB VAL 45 HB VAL 45 6.020 1.025 3.727 208 HG11 VAL 45 HG11 VAL 45 8.313 1.616 3.070 209 HG12 VAL 45 HG12 VAL 45 8.393 0.161 2.077 210 HG13 VAL 45 HG13 VAL 45 8.230 0.025 3.827 211 HG21 VAL 45 HG21 VAL 45 6.428 2.497 1.797 212 HG22 VAL 45 HG22 VAL 45 4.939 1.568 1.618 213 HG23 VAL 45 HG23 VAL 45 6.388 1.092 0.732 214 H GLN 46 H GLN 46 7.950 -2.307 2.924 215 HA GLN 46 HA GLN 46 6.936 -3.762 5.246 216 HB2 GLN 46 HB2 GLN 46 9.756 -3.963 4.276 217 HB3 GLN 46 HB3 GLN 46 8.800 -5.156 5.121 218 HG2 GLN 46 HG2 GLN 46 8.551 -4.382 2.224 219 HG3 GLN 46 HG3 GLN 46 9.280 -5.820 2.900 220 HE21 GLN 46 HE21 GLN 46 7.300 -6.345 4.868 221 HE22 GLN 46 HE22 GLN 46 5.902 -6.923 4.019 222 H LEU 47 H LEU 47 7.734 -3.511 7.249 223 HA LEU 47 HA LEU 47 9.893 -1.637 7.701 224 HB2 LEU 47 HB2 LEU 47 7.188 -1.357 8.985 225 HB3 LEU 47 HB3 LEU 47 8.633 -0.833 9.822 226 HG LEU 47 HG LEU 47 7.707 1.093 8.854 227 HD11 LEU 47 HD11 LEU 47 9.388 1.809 7.215 228 HD12 LEU 47 HD12 LEU 47 9.924 0.135 7.056 229 HD13 LEU 47 HD13 LEU 47 10.106 0.976 8.595 230 HD21 LEU 47 HD21 LEU 47 6.162 0.076 7.304 231 HD22 LEU 47 HD22 LEU 47 7.496 -0.417 6.260 232 HD23 LEU 47 HD23 LEU 47 7.135 1.295 6.480 233 HA PRO 48 HA PRO 48 11.072 -5.013 10.282 234 HB2 PRO 48 HB2 PRO 48 12.783 -3.186 11.795 235 HB3 PRO 48 HB3 PRO 48 13.236 -4.505 10.712 236 HG2 PRO 48 HG2 PRO 48 13.627 -1.916 10.066 237 HG3 PRO 48 HG3 PRO 48 13.248 -3.149 8.850 238 HD2 PRO 48 HD2 PRO 48 11.437 -1.128 10.131 239 HD3 PRO 48 HD3 PRO 48 11.541 -1.626 8.426 240 H TYR 49 H TYR 49 9.410 -2.331 11.446 241 HA TYR 49 HA TYR 49 8.733 -3.743 13.911 242 HB2 TYR 49 HB2 TYR 49 8.997 -1.553 15.171 243 HB3 TYR 49 HB3 TYR 49 10.494 -2.342 14.687 244 HD1 TYR 49 HD1 TYR 49 8.267 0.521 14.064 245 HD2 TYR 49 HD2 TYR 49 11.957 -1.340 13.052 246 HE1 TYR 49 HE1 TYR 49 8.994 2.582 12.937 247 HE2 TYR 49 HE2 TYR 49 12.692 0.715 11.926 248 HH TYR 49 HH TYR 49 11.095 3.683 12.280 249 H SER 50 H SER 50 7.454 -2.744 11.260 250 HA SER 50 HA SER 50 5.004 -1.911 12.245 251 HB2 SER 50 HB2 SER 50 6.619 0.326 10.984 252 HB3 SER 50 HB3 SER 50 4.885 0.396 11.290 253 HG SER 50 HG SER 50 6.105 -0.332 13.545 254 H GLU 51 H GLU 51 3.950 -0.566 10.056 255 HA GLU 51 HA GLU 51 4.951 -1.574 7.575 256 HB2 GLU 51 HB2 GLU 51 2.945 -2.873 6.977 257 HB3 GLU 51 HB3 GLU 51 3.781 -3.583 8.351 258 HG2 GLU 51 HG2 GLU 51 2.143 -2.453 9.841 259 HG3 GLU 51 HG3 GLU 51 1.265 -1.936 8.404 260 H ILE 52 H ILE 52 3.892 -0.608 5.777 261 HA ILE 52 HA ILE 52 2.262 1.739 6.534 262 HB ILE 52 HB ILE 52 4.074 1.434 4.127 263 HG12 ILE 52 HG12 ILE 52 4.280 3.234 6.551 264 HG13 ILE 52 HG13 ILE 52 5.285 1.825 6.236 265 HG21 ILE 52 HG21 ILE 52 2.051 2.722 3.613 266 HG22 ILE 52 HG22 ILE 52 3.490 3.741 3.602 267 HG23 ILE 52 HG23 ILE 52 2.387 3.789 4.976 268 HD11 ILE 52 HD11 ILE 52 6.477 3.855 5.705 269 HD12 ILE 52 HD12 ILE 52 5.193 4.349 4.601 270 HD13 ILE 52 HD13 ILE 52 6.174 2.928 4.236 271 H GLN 53 H GLN 53 0.414 2.177 5.168 272 HA GLN 53 HA GLN 53 -0.375 0.259 3.283 273 HB2 GLN 53 HB2 GLN 53 -2.042 0.311 5.811 274 HB3 GLN 53 HB3 GLN 53 -2.385 -0.605 4.354 275 HG2 GLN 53 HG2 GLN 53 -0.362 -1.948 4.754 276 HG3 GLN 53 HG3 GLN 53 -0.093 -1.053 6.251 277 HE21 GLN 53 HE21 GLN 53 -2.014 -3.425 4.632 278 HE22 GLN 53 HE22 GLN 53 -2.859 -3.989 6.027 279 H GLU 54 H GLU 54 -1.415 1.500 1.846 280 HA GLU 54 HA GLU 54 -3.732 3.051 2.486 281 HB2 GLU 54 HB2 GLU 54 -2.604 5.215 1.644 282 HB3 GLU 54 HB3 GLU 54 -2.298 4.726 3.299 283 HG2 GLU 54 HG2 GLU 54 -0.171 3.667 2.474 284 HG3 GLU 54 HG3 GLU 54 -0.465 4.483 0.937 285 H CYS 55 H CYS 55 -4.567 4.171 0.465 286 HA CYS 55 HA CYS 55 -3.963 2.468 -1.841 287 HB2 CYS 55 HB2 CYS 55 -5.982 4.692 -1.976 288 HB3 CYS 55 HB3 CYS 55 -5.941 3.172 -2.841 289 H LYS 56 H LYS 56 -3.228 3.374 -3.792 290 HA LYS 56 HA LYS 56 -2.325 6.116 -3.713 291 HB2 LYS 56 HB2 LYS 56 -0.411 3.815 -4.191 292 HB3 LYS 56 HB3 LYS 56 -0.042 5.483 -4.585 293 HG2 LYS 56 HG2 LYS 56 -0.624 4.412 -1.838 294 HG3 LYS 56 HG3 LYS 56 0.972 4.785 -2.486 295 HD2 LYS 56 HD2 LYS 56 0.524 7.098 -2.536 296 HD3 LYS 56 HD3 LYS 56 -1.212 6.845 -2.317 297 HE2 LYS 56 HE2 LYS 56 -0.775 5.926 -0.091 298 HE3 LYS 56 HE3 LYS 56 0.939 6.234 -0.298 299 HZ1 LYS 56 HZ1 LYS 56 -1.147 8.337 -0.343 300 HZ2 LYS 56 HZ2 LYS 56 0.529 8.569 -0.336 301 HZ3 LYS 56 HZ3 LYS 56 -0.243 7.914 1.029 302 H THR 57 H THR 57 -1.641 6.776 -5.963 303 HA THR 57 HA THR 57 -3.532 5.598 -7.801 304 HB THR 57 HB THR 57 -2.963 7.270 -9.358 305 HG1 THR 57 HG1 THR 57 -1.157 8.727 -7.939 306 HG21 THR 57 HG21 THR 57 -3.389 9.347 -8.099 307 HG22 THR 57 HG22 THR 57 -3.066 8.480 -6.597 308 HG23 THR 57 HG23 THR 57 -4.446 8.027 -7.597 309 H VAL 58 H VAL 58 -2.904 4.481 -9.662 310 HA VAL 58 HA VAL 58 -1.084 2.489 -9.325 311 HB VAL 58 HB VAL 58 -1.673 3.726 -12.040 312 HG11 VAL 58 HG11 VAL 58 -1.379 1.467 -12.894 313 HG12 VAL 58 HG12 VAL 58 -1.019 0.888 -11.268 314 HG13 VAL 58 HG13 VAL 58 0.073 2.024 -12.061 315 HG21 VAL 58 HG21 VAL 58 -3.324 1.758 -10.466 316 HG22 VAL 58 HG22 VAL 58 -3.604 2.213 -12.146 317 HG23 VAL 58 HG23 VAL 58 -3.763 3.416 -10.869 318 H GLN 59 H GLN 59 -0.456 5.543 -11.105 319 HA GLN 59 HA GLN 59 2.210 4.856 -11.885 320 HB2 GLN 59 HB2 GLN 59 1.286 6.494 -13.254 321 HB3 GLN 59 HB3 GLN 59 0.586 7.374 -11.899 322 HG2 GLN 59 HG2 GLN 59 2.920 7.950 -11.181 323 HG3 GLN 59 HG3 GLN 59 3.480 7.261 -12.708 324 HE21 GLN 59 HE21 GLN 59 3.617 9.981 -11.614 325 HE22 GLN 59 HE22 GLN 59 2.892 10.994 -12.823 326 H GLN 60 H GLN 60 0.914 7.186 -9.521 327 HA GLN 60 HA GLN 60 3.406 7.903 -8.508 328 HB2 GLN 60 HB2 GLN 60 0.672 8.055 -7.228 329 HB3 GLN 60 HB3 GLN 60 2.116 8.791 -6.544 330 HG2 GLN 60 HG2 GLN 60 2.346 10.235 -8.449 331 HG3 GLN 60 HG3 GLN 60 1.015 9.424 -9.271 332 HE21 GLN 60 HE21 GLN 60 1.370 12.230 -8.498 333 HE22 GLN 60 HE22 GLN 60 -0.002 12.622 -7.523 334 H CYS 61 H CYS 61 1.294 5.253 -7.656 335 HA CYS 61 HA CYS 61 2.652 4.555 -5.273 336 HB2 CYS 61 HB2 CYS 61 0.363 3.735 -6.152 337 HB3 CYS 61 HB3 CYS 61 1.274 2.597 -7.119 338 H ALA 62 H ALA 62 3.226 3.840 -8.673 339 HA ALA 62 HA ALA 62 5.338 1.941 -8.189 340 HB1 ALA 62 HB1 ALA 62 5.877 2.237 -10.550 341 HB2 ALA 62 HB2 ALA 62 4.760 3.599 -10.646 342 HB3 ALA 62 HB3 ALA 62 4.147 1.974 -10.332 343 H GLU 63 H GLU 63 5.079 5.416 -8.762 344 HA GLU 63 HA GLU 63 7.756 6.073 -8.690 345 HB2 GLU 63 HB2 GLU 63 5.330 7.615 -7.759 346 HB3 GLU 63 HB3 GLU 63 6.918 8.330 -7.932 347 HG2 GLU 63 HG2 GLU 63 6.894 7.746 -10.326 348 HG3 GLU 63 HG3 GLU 63 5.264 7.111 -10.124 349 H VAL 64 H VAL 64 5.495 6.299 -5.921 350 HA VAL 64 HA VAL 64 7.315 6.629 -3.989 351 HB VAL 64 HB VAL 64 5.553 6.087 -2.502 352 HG11 VAL 64 HG11 VAL 64 3.767 7.490 -3.282 353 HG12 VAL 64 HG12 VAL 64 4.370 7.328 -4.935 354 HG13 VAL 64 HG13 VAL 64 5.337 8.168 -3.718 355 HG21 VAL 64 HG21 VAL 64 4.366 4.627 -4.754 356 HG22 VAL 64 HG22 VAL 64 3.418 5.119 -3.346 357 HG23 VAL 64 HG23 VAL 64 4.791 4.026 -3.156 358 H LEU 65 H LEU 65 6.183 3.562 -5.363 359 HA LEU 65 HA LEU 65 7.396 1.811 -3.685 360 HB2 LEU 65 HB2 LEU 65 6.217 1.524 -6.066 361 HB3 LEU 65 HB3 LEU 65 7.879 1.393 -6.598 362 HG LEU 65 HG LEU 65 7.280 -0.806 -6.291 363 HD11 LEU 65 HD11 LEU 65 8.285 -1.628 -4.177 364 HD12 LEU 65 HD12 LEU 65 8.529 0.064 -3.738 365 HD13 LEU 65 HD13 LEU 65 9.305 -0.595 -5.175 366 HD21 LEU 65 HD21 LEU 65 5.915 -1.669 -4.481 367 HD22 LEU 65 HD22 LEU 65 5.082 -0.365 -5.328 368 HD23 LEU 65 HD23 LEU 65 5.840 -0.060 -3.764 369 H GLU 66 H GLU 66 8.920 3.490 -6.420 370 HA GLU 66 HA GLU 66 11.434 2.381 -5.885 371 HB2 GLU 66 HB2 GLU 66 10.660 3.204 -8.119 372 HB3 GLU 66 HB3 GLU 66 10.888 4.844 -7.526 373 HG2 GLU 66 HG2 GLU 66 12.778 4.128 -8.869 374 HG3 GLU 66 HG3 GLU 66 13.262 4.409 -7.196 375 H GLU 67 H GLU 67 9.923 5.226 -4.620 376 HA GLU 67 HA GLU 67 12.321 6.675 -4.071 377 HB2 GLU 67 HB2 GLU 67 10.913 8.085 -2.697 378 HB3 GLU 67 HB3 GLU 67 10.103 7.756 -4.229 379 HG2 GLU 67 HG2 GLU 67 8.818 6.053 -3.244 380 HG3 GLU 67 HG3 GLU 67 9.642 6.267 -1.711 381 H VAL 68 H VAL 68 10.136 4.585 -2.186 382 HA VAL 68 HA VAL 68 11.865 4.492 0.036 383 HB VAL 68 HB VAL 68 10.423 2.656 0.864 384 HG11 VAL 68 HG11 VAL 68 8.884 4.954 -0.336 385 HG12 VAL 68 HG12 VAL 68 9.775 4.995 1.185 386 HG13 VAL 68 HG13 VAL 68 8.367 3.948 1.017 387 HG21 VAL 68 HG21 VAL 68 9.976 1.502 -1.250 388 HG22 VAL 68 HG22 VAL 68 9.040 2.882 -1.821 389 HG23 VAL 68 HG23 VAL 68 8.469 1.938 -0.446 390 H THR 69 H THR 69 11.518 2.375 -2.744 391 HA THR 69 HA THR 69 12.987 0.220 -1.630 392 HB THR 69 HB THR 69 12.224 0.844 -4.483 393 HG1 THR 69 HG1 THR 69 10.410 0.429 -3.382 394 HG21 THR 69 HG21 THR 69 12.569 -1.568 -4.905 395 HG22 THR 69 HG22 THR 69 13.311 -1.716 -3.307 396 HG23 THR 69 HG23 THR 69 14.076 -0.719 -4.546 397 H ALA 70 H ALA 70 13.911 2.916 -3.771 398 HA ALA 70 HA ALA 70 16.549 2.240 -4.020 399 HB1 ALA 70 HB1 ALA 70 15.434 5.032 -3.751 400 HB2 ALA 70 HB2 ALA 70 15.496 4.082 -5.236 401 HB3 ALA 70 HB3 ALA 70 16.992 4.602 -4.458 402 H ILE 71 H ILE 71 14.918 3.329 -1.200 403 HA ILE 71 HA ILE 71 17.317 4.182 0.216 404 HB ILE 71 HB ILE 71 14.638 3.557 1.466 405 HG12 ILE 71 HG12 ILE 71 15.545 6.211 0.329 406 HG13 ILE 71 HG13 ILE 71 14.293 5.189 -0.354 407 HG21 ILE 71 HG21 ILE 71 16.570 3.808 2.965 408 HG22 ILE 71 HG22 ILE 71 15.377 5.085 3.201 409 HG23 ILE 71 HG23 ILE 71 16.859 5.419 2.305 410 HD11 ILE 71 HD11 ILE 71 14.193 6.468 2.368 411 HD12 ILE 71 HD12 ILE 71 12.919 5.513 1.608 412 HD13 ILE 71 HD13 ILE 71 13.383 7.069 0.921 413 H GLY 72 H GLY 72 15.681 1.290 -0.534 414 HA2 GLY 72 HA2 GLY 72 16.546 -0.801 0.065 415 HA3 GLY 72 HA3 GLY 72 17.116 -0.113 1.580 416 H TYR 73 H TYR 73 13.991 0.915 1.013 417 HA TYR 73 HA TYR 73 12.971 -1.039 2.940 418 HB2 TYR 73 HB2 TYR 73 12.071 1.735 2.181 419 HB3 TYR 73 HB3 TYR 73 11.077 0.645 3.128 420 HD1 TYR 73 HD1 TYR 73 11.921 -0.136 5.371 421 HD2 TYR 73 HD2 TYR 73 13.814 2.975 3.173 422 HE1 TYR 73 HE1 TYR 73 13.056 0.613 7.420 423 HE2 TYR 73 HE2 TYR 73 14.957 3.731 5.216 424 HH TYR 73 HH TYR 73 15.086 1.881 8.043 425 HA PRO 74 HA PRO 74 11.084 -2.906 -0.742 426 HB2 PRO 74 HB2 PRO 74 9.943 -4.506 1.503 427 HB3 PRO 74 HB3 PRO 74 10.655 -5.054 -0.007 428 HG2 PRO 74 HG2 PRO 74 12.043 -5.264 2.211 429 HG3 PRO 74 HG3 PRO 74 12.838 -4.672 0.737 430 HD2 PRO 74 HD2 PRO 74 11.833 -3.120 3.097 431 HD3 PRO 74 HD3 PRO 74 13.341 -2.935 2.183 432 H ALA 75 H ALA 75 9.259 -2.074 -1.639 433 HA ALA 75 HA ALA 75 6.880 -1.983 0.089 434 HB1 ALA 75 HB1 ALA 75 6.097 -0.091 -1.188 435 HB2 ALA 75 HB2 ALA 75 7.483 -0.209 -2.269 436 HB3 ALA 75 HB3 ALA 75 7.721 0.235 -0.580 437 H LYS 76 H LYS 76 4.833 -2.315 -0.943 438 HA LYS 76 HA LYS 76 4.957 -3.912 -3.422 439 HB2 LYS 76 HB2 LYS 76 3.015 -4.335 -1.145 440 HB3 LYS 76 HB3 LYS 76 3.299 -5.384 -2.513 441 HG2 LYS 76 HG2 LYS 76 5.489 -4.819 -0.576 442 HG3 LYS 76 HG3 LYS 76 4.233 -5.996 -0.191 443 HD2 LYS 76 HD2 LYS 76 4.969 -6.624 -2.780 444 HD3 LYS 76 HD3 LYS 76 6.493 -6.217 -1.984 445 HE2 LYS 76 HE2 LYS 76 4.450 -8.114 -0.853 446 HE3 LYS 76 HE3 LYS 76 5.830 -8.610 -1.814 447 HZ1 LYS 76 HZ1 LYS 76 7.315 -7.845 -0.159 448 HZ2 LYS 76 HZ2 LYS 76 6.129 -8.739 0.661 449 HZ3 LYS 76 HZ3 LYS 76 6.089 -7.043 0.687 450 H CYS 77 H CYS 77 3.495 -3.341 -4.996 451 HA CYS 77 HA CYS 77 1.000 -2.069 -4.179 452 HB2 CYS 77 HB2 CYS 77 2.772 -0.308 -4.802 453 HB3 CYS 77 HB3 CYS 77 2.563 -0.859 -6.455 454 H CYS 78 H CYS 78 -0.464 -3.397 -4.950 455 HA CYS 78 HA CYS 78 -0.160 -4.488 -7.663 456 HB2 CYS 78 HB2 CYS 78 -1.183 -6.621 -6.524 457 HB3 CYS 78 HB3 CYS 78 0.549 -6.307 -6.419 458 H CYS 79 H CYS 79 -2.341 -5.835 -8.124 459 HA CYS 79 HA CYS 79 -4.519 -3.951 -7.538 460 HB2 CYS 79 HB2 CYS 79 -4.269 -5.640 -10.036 461 HB3 CYS 79 HB3 CYS 79 -5.527 -4.470 -9.669 462 HG CYS 79 HG CYS 79 -4.093 -2.255 -10.066 463 H GLU 80 H GLU 80 -5.503 -4.955 -5.929 464 HA GLU 80 HA GLU 80 -7.112 -7.218 -6.238 465 HB2 GLU 80 HB2 GLU 80 -5.086 -8.549 -6.244 466 HB3 GLU 80 HB3 GLU 80 -4.452 -7.684 -4.855 467 HG2 GLU 80 HG2 GLU 80 -5.189 -9.875 -4.199 468 HG3 GLU 80 HG3 GLU 80 -6.220 -8.653 -3.459 469 H ASP 81 H ASP 81 -8.388 -7.514 -4.253 470 HA ASP 81 HA ASP 81 -8.457 -5.051 -2.714 471 HB2 ASP 81 HB2 ASP 81 -10.041 -7.610 -2.425 472 HB3 ASP 81 HB3 ASP 81 -10.148 -6.274 -1.287 473 H LEU 82 H LEU 82 -7.710 -4.778 -0.733 474 HA LEU 82 HA LEU 82 -6.471 -5.093 1.140 475 HB2 LEU 82 HB2 LEU 82 -7.093 -8.036 0.885 476 HB3 LEU 82 HB3 LEU 82 -6.751 -7.140 2.346 477 HG LEU 82 HG LEU 82 -8.983 -7.355 2.598 478 HD11 LEU 82 HD11 LEU 82 -10.252 -5.428 1.925 479 HD12 LEU 82 HD12 LEU 82 -9.011 -5.015 0.744 480 HD13 LEU 82 HD13 LEU 82 -8.639 -4.968 2.467 481 HD21 LEU 82 HD21 LEU 82 -9.240 -7.506 -0.356 482 HD22 LEU 82 HD22 LEU 82 -10.623 -7.474 0.736 483 HD23 LEU 82 HD23 LEU 82 -9.453 -8.791 0.830 484 H CYS 83 H CYS 83 -5.364 -5.708 -1.693 485 HA CYS 83 HA CYS 83 -3.411 -7.639 -1.441 486 HB2 CYS 83 HB2 CYS 83 -4.250 -6.418 -3.556 487 HB3 CYS 83 HB3 CYS 83 -3.009 -5.223 -3.197 488 H ASN 84 H ASN 84 -3.374 -4.386 -0.283 489 HA ASN 84 HA ASN 84 -0.485 -4.419 0.139 490 HB2 ASN 84 HB2 ASN 84 -0.759 -2.178 1.099 491 HB3 ASN 84 HB3 ASN 84 -1.437 -2.255 -0.515 492 HD21 ASN 84 HD21 ASN 84 -1.926 -0.398 1.619 493 HD22 ASN 84 HD22 ASN 84 -3.624 -0.451 1.959 494 H ARG 85 H ARG 85 -0.554 -6.307 1.402 495 HA ARG 85 HA ARG 85 -2.071 -6.154 3.925 496 HB2 ARG 85 HB2 ARG 85 -2.836 -7.747 2.027 497 HB3 ARG 85 HB3 ARG 85 -1.440 -8.708 2.469 498 HG2 ARG 85 HG2 ARG 85 -2.331 -9.011 4.704 499 HG3 ARG 85 HG3 ARG 85 -3.709 -7.977 4.310 500 HD2 ARG 85 HD2 ARG 85 -3.018 -10.659 3.114 501 HD3 ARG 85 HD3 ARG 85 -4.428 -10.251 4.093 502 HE ARG 85 HE ARG 85 -4.441 -8.602 1.828 503 HH11 ARG 85 HH11 ARG 85 -4.814 -12.002 2.608 504 HH12 ARG 85 HH12 ARG 85 -5.805 -12.341 1.229 505 HH21 ARG 85 HH21 ARG 85 -5.745 -9.048 0.004 506 HH22 ARG 85 HH22 ARG 85 -6.331 -10.658 -0.263 507 H SER 86 H SER 86 -1.131 -7.331 5.687 508 HA SER 86 HA SER 86 1.738 -7.112 5.804 509 HB2 SER 86 HB2 SER 86 1.339 -8.057 8.140 510 HB3 SER 86 HB3 SER 86 0.558 -6.512 7.793 511 HG SER 86 HG SER 86 -0.607 -9.092 7.863 512 H GLU 87 H GLU 87 2.568 -8.612 4.375 513 HA GLU 87 HA GLU 87 1.773 -11.389 4.718 514 HB2 GLU 87 HB2 GLU 87 3.435 -11.568 2.654 515 HB3 GLU 87 HB3 GLU 87 1.765 -11.057 2.471 516 HG2 GLU 87 HG2 GLU 87 3.094 -9.598 1.172 517 HG3 GLU 87 HG3 GLU 87 2.564 -8.690 2.584 518 H GLN 88 H GLN 88 4.689 -9.401 4.913 519 HA GLN 88 HA GLN 88 6.663 -9.696 5.930 520 HB2 GLN 88 HB2 GLN 88 6.702 -10.637 8.177 521 HB3 GLN 88 HB3 GLN 88 5.330 -9.562 7.967 522 HG2 GLN 88 HG2 GLN 88 3.870 -11.511 7.667 523 HG3 GLN 88 HG3 GLN 88 5.254 -12.571 7.931 524 HE21 GLN 88 HE21 GLN 88 2.761 -12.304 9.423 525 HE22 GLN 88 HE22 GLN 88 3.218 -11.949 11.050 Start of MODEL 11 1 H MET 18 H MET 18 -15.634 0.863 -11.251 2 HA MET 18 HA MET 18 -14.370 -0.869 -10.170 3 HB2 MET 18 HB2 MET 18 -12.862 1.109 -11.874 4 HB3 MET 18 HB3 MET 18 -12.188 -0.450 -11.428 5 HG2 MET 18 HG2 MET 18 -13.167 -0.466 -13.665 6 HG3 MET 18 HG3 MET 18 -13.968 -1.598 -12.580 7 HE1 MET 18 HE1 MET 18 -16.841 -0.380 -14.990 8 HE2 MET 18 HE2 MET 18 -15.959 -1.780 -14.376 9 HE3 MET 18 HE3 MET 18 -15.143 -0.607 -15.410 10 H ALA 19 H ALA 19 -14.381 1.692 -8.409 11 HA ALA 19 HA ALA 19 -12.128 2.115 -7.143 12 HB1 ALA 19 HB1 ALA 19 -14.698 1.453 -5.709 13 HB2 ALA 19 HB2 ALA 19 -14.287 3.012 -6.424 14 HB3 ALA 19 HB3 ALA 19 -13.360 2.398 -5.055 15 H LEU 20 H LEU 20 -10.717 1.146 -5.664 16 HA LEU 20 HA LEU 20 -11.045 -1.771 -5.468 17 HB2 LEU 20 HB2 LEU 20 -9.189 -1.103 -7.017 18 HB3 LEU 20 HB3 LEU 20 -8.422 -0.282 -5.672 19 HG LEU 20 HG LEU 20 -8.243 -2.454 -4.486 20 HD11 LEU 20 HD11 LEU 20 -8.619 -4.519 -5.734 21 HD12 LEU 20 HD12 LEU 20 -9.252 -3.588 -7.091 22 HD13 LEU 20 HD13 LEU 20 -10.113 -3.598 -5.551 23 HD21 LEU 20 HD21 LEU 20 -6.360 -1.614 -5.763 24 HD22 LEU 20 HD22 LEU 20 -7.005 -2.347 -7.233 25 HD23 LEU 20 HD23 LEU 20 -6.458 -3.370 -5.904 26 H LYS 21 H LYS 21 -10.783 -2.586 -3.388 27 HA LYS 21 HA LYS 21 -10.411 -0.590 -1.328 28 HB2 LYS 21 HB2 LYS 21 -11.229 -3.489 -1.112 29 HB3 LYS 21 HB3 LYS 21 -11.359 -2.270 0.152 30 HG2 LYS 21 HG2 LYS 21 -12.980 -1.042 -1.125 31 HG3 LYS 21 HG3 LYS 21 -12.780 -2.135 -2.495 32 HD2 LYS 21 HD2 LYS 21 -13.766 -2.959 0.224 33 HD3 LYS 21 HD3 LYS 21 -14.807 -2.578 -1.147 34 HE2 LYS 21 HE2 LYS 21 -12.787 -4.802 -0.963 35 HE3 LYS 21 HE3 LYS 21 -14.542 -4.966 -0.969 36 HZ1 LYS 21 HZ1 LYS 21 -13.611 -5.475 -3.135 37 HZ2 LYS 21 HZ2 LYS 21 -12.869 -3.960 -3.212 38 HZ3 LYS 21 HZ3 LYS 21 -14.560 -4.073 -3.234 39 H CYS 22 H CYS 22 -8.544 -0.321 -0.280 40 HA CYS 22 HA CYS 22 -6.664 -2.574 -0.239 41 HB2 CYS 22 HB2 CYS 22 -5.787 0.319 -0.287 42 HB3 CYS 22 HB3 CYS 22 -4.773 -1.111 -0.421 43 H PHE 23 H PHE 23 -5.039 -2.169 1.655 44 HA PHE 23 HA PHE 23 -6.579 -1.514 4.031 45 HB2 PHE 23 HB2 PHE 23 -3.819 -2.623 3.577 46 HB3 PHE 23 HB3 PHE 23 -4.318 -2.052 5.162 47 HD1 PHE 23 HD1 PHE 23 -6.447 -3.091 6.149 48 HD2 PHE 23 HD2 PHE 23 -4.248 -4.800 2.934 49 HE1 PHE 23 HE1 PHE 23 -7.440 -5.284 6.644 50 HE2 PHE 23 HE2 PHE 23 -5.236 -6.998 3.423 51 HZ PHE 23 HZ PHE 23 -6.834 -7.244 5.280 52 H THR 24 H THR 24 -6.521 0.449 5.004 53 HA THR 24 HA THR 24 -4.226 2.177 4.436 54 HB THR 24 HB THR 24 -5.805 3.932 5.517 55 HG1 THR 24 HG1 THR 24 -7.315 2.304 6.268 56 HG21 THR 24 HG21 THR 24 -6.928 4.313 3.366 57 HG22 THR 24 HG22 THR 24 -6.470 2.692 2.844 58 HG23 THR 24 HG23 THR 24 -5.227 3.907 3.144 59 H ARG 25 H ARG 25 -2.899 2.916 6.043 60 HA ARG 25 HA ARG 25 -3.256 1.579 8.642 61 HB2 ARG 25 HB2 ARG 25 -1.139 1.249 7.212 62 HB3 ARG 25 HB3 ARG 25 -0.729 2.896 7.661 63 HG2 ARG 25 HG2 ARG 25 0.428 1.439 9.134 64 HG3 ARG 25 HG3 ARG 25 -0.876 2.191 10.058 65 HD2 ARG 25 HD2 ARG 25 -2.235 0.212 9.834 66 HD3 ARG 25 HD3 ARG 25 -1.038 -0.533 8.778 67 HE ARG 25 HE ARG 25 -0.263 0.161 11.519 68 HH11 ARG 25 HH11 ARG 25 -1.029 -2.253 9.123 69 HH12 ARG 25 HH12 ARG 25 -0.321 -3.563 10.017 70 HH21 ARG 25 HH21 ARG 25 0.594 -1.552 12.774 71 HH22 ARG 25 HH22 ARG 25 0.566 -3.167 12.116 72 H ASN 26 H ASN 26 -4.175 2.856 10.120 73 HA ASN 26 HA ASN 26 -3.110 5.553 10.485 74 HB2 ASN 26 HB2 ASN 26 -5.275 5.672 9.116 75 HB3 ASN 26 HB3 ASN 26 -6.097 5.095 10.562 76 HD21 ASN 26 HD21 ASN 26 -6.405 7.613 9.162 77 HD22 ASN 26 HD22 ASN 26 -6.050 8.855 10.307 78 H GLY 27 H GLY 27 -3.055 6.136 12.702 79 HA2 GLY 27 HA2 GLY 27 -2.644 5.547 14.889 80 HA3 GLY 27 HA3 GLY 27 -4.226 4.786 14.746 81 H ASP 28 H ASP 28 -1.682 3.726 12.747 82 HA ASP 28 HA ASP 28 -0.588 1.793 12.451 83 HB2 ASP 28 HB2 ASP 28 0.132 2.430 14.938 84 HB3 ASP 28 HB3 ASP 28 -0.753 0.947 15.297 85 H ASP 29 H ASP 29 -3.715 1.962 13.095 86 HA ASP 29 HA ASP 29 -4.183 -0.885 13.025 87 HB2 ASP 29 HB2 ASP 29 -5.861 0.385 14.169 88 HB3 ASP 29 HB3 ASP 29 -6.031 1.502 12.817 89 H ARG 30 H ARG 30 -5.431 -1.860 11.224 90 HA ARG 30 HA ARG 30 -4.757 -0.578 8.707 91 HB2 ARG 30 HB2 ARG 30 -4.365 -2.835 7.673 92 HB3 ARG 30 HB3 ARG 30 -3.104 -2.287 8.762 93 HG2 ARG 30 HG2 ARG 30 -4.138 -3.707 10.541 94 HG3 ARG 30 HG3 ARG 30 -5.212 -4.360 9.301 95 HD2 ARG 30 HD2 ARG 30 -3.212 -5.049 8.006 96 HD3 ARG 30 HD3 ARG 30 -2.200 -4.499 9.339 97 HE ARG 30 HE ARG 30 -4.193 -6.392 10.145 98 HH11 ARG 30 HH11 ARG 30 -0.945 -6.005 8.867 99 HH12 ARG 30 HH12 ARG 30 -0.466 -7.619 9.284 100 HH21 ARG 30 HH21 ARG 30 -3.531 -8.516 10.714 101 HH22 ARG 30 HH22 ARG 30 -1.922 -9.046 10.330 102 H THR 31 H THR 31 -6.711 0.051 8.163 103 HA THR 31 HA THR 31 -8.929 -1.786 8.491 104 HB THR 31 HB THR 31 -9.504 0.941 7.576 105 HG1 THR 31 HG1 THR 31 -8.308 0.612 10.163 106 HG21 THR 31 HG21 THR 31 -10.317 -0.658 10.008 107 HG22 THR 31 HG22 THR 31 -11.215 -0.531 8.496 108 HG23 THR 31 HG23 THR 31 -11.013 0.888 9.524 109 H VAL 32 H VAL 32 -10.498 -2.122 6.854 110 HA VAL 32 HA VAL 32 -9.388 -2.142 4.154 111 HB VAL 32 HB VAL 32 -11.981 -3.281 5.224 112 HG11 VAL 32 HG11 VAL 32 -12.213 -2.580 2.892 113 HG12 VAL 32 HG12 VAL 32 -12.233 -4.338 3.036 114 HG13 VAL 32 HG13 VAL 32 -10.781 -3.516 2.465 115 HG21 VAL 32 HG21 VAL 32 -10.928 -5.455 4.795 116 HG22 VAL 32 HG22 VAL 32 -10.032 -4.511 5.985 117 HG23 VAL 32 HG23 VAL 32 -9.440 -4.633 4.328 118 H THR 33 H THR 33 -9.615 -0.290 3.076 119 HA THR 33 HA THR 33 -12.203 1.087 3.283 120 HB THR 33 HB THR 33 -10.968 3.203 2.664 121 HG1 THR 33 HG1 THR 33 -8.624 2.419 3.803 122 HG21 THR 33 HG21 THR 33 -10.252 3.672 4.965 123 HG22 THR 33 HG22 THR 33 -10.318 1.949 5.334 124 HG23 THR 33 HG23 THR 33 -11.796 2.822 4.929 125 H THR 34 H THR 34 -12.866 2.136 1.293 126 HA THR 34 HA THR 34 -11.893 0.615 -1.010 127 HB THR 34 HB THR 34 -14.228 0.236 -0.808 128 HG1 THR 34 HG1 THR 34 -13.587 2.157 -2.794 129 HG21 THR 34 HG21 THR 34 -14.760 2.074 0.714 130 HG22 THR 34 HG22 THR 34 -15.895 1.995 -0.635 131 HG23 THR 34 HG23 THR 34 -14.624 3.220 -0.621 132 H CYS 35 H CYS 35 -10.592 1.660 -2.299 133 HA CYS 35 HA CYS 35 -10.219 4.532 -1.930 134 HB2 CYS 35 HB2 CYS 35 -8.472 2.974 -3.761 135 HB3 CYS 35 HB3 CYS 35 -8.052 4.179 -2.567 136 H ALA 36 H ALA 36 -9.677 5.674 -4.218 137 HA ALA 36 HA ALA 36 -12.325 5.494 -5.411 138 HB1 ALA 36 HB1 ALA 36 -11.532 7.691 -4.706 139 HB2 ALA 36 HB2 ALA 36 -11.817 7.627 -6.446 140 HB3 ALA 36 HB3 ALA 36 -10.169 7.556 -5.818 141 H GLU 37 H GLU 37 -12.032 6.326 -7.905 142 HA GLU 37 HA GLU 37 -11.498 3.881 -9.216 143 HB2 GLU 37 HB2 GLU 37 -12.041 6.636 -10.329 144 HB3 GLU 37 HB3 GLU 37 -12.089 5.144 -11.251 145 HG2 GLU 37 HG2 GLU 37 -13.865 5.733 -8.898 146 HG3 GLU 37 HG3 GLU 37 -14.314 6.007 -10.581 147 H GLU 38 H GLU 38 -9.562 6.763 -8.739 148 HA GLU 38 HA GLU 38 -7.939 6.272 -11.097 149 HB2 GLU 38 HB2 GLU 38 -6.889 8.320 -10.716 150 HB3 GLU 38 HB3 GLU 38 -8.589 8.595 -10.351 151 HG2 GLU 38 HG2 GLU 38 -6.518 7.951 -8.319 152 HG3 GLU 38 HG3 GLU 38 -6.986 9.594 -8.743 153 H GLN 39 H GLN 39 -7.837 5.885 -7.634 154 HA GLN 39 HA GLN 39 -5.140 4.893 -7.803 155 HB2 GLN 39 HB2 GLN 39 -6.984 5.063 -5.413 156 HB3 GLN 39 HB3 GLN 39 -5.246 4.776 -5.369 157 HG2 GLN 39 HG2 GLN 39 -4.902 6.983 -6.423 158 HG3 GLN 39 HG3 GLN 39 -6.634 7.267 -6.328 159 HE21 GLN 39 HE21 GLN 39 -7.579 7.640 -4.343 160 HE22 GLN 39 HE22 GLN 39 -6.641 8.079 -2.948 161 H THR 40 H THR 40 -5.739 3.119 -9.221 162 HA THR 40 HA THR 40 -7.138 0.930 -8.025 163 HB THR 40 HB THR 40 -6.350 -0.112 -10.338 164 HG1 THR 40 HG1 THR 40 -6.527 2.408 -11.374 165 HG21 THR 40 HG21 THR 40 -8.346 0.892 -11.380 166 HG22 THR 40 HG22 THR 40 -8.433 2.060 -10.060 167 HG23 THR 40 HG23 THR 40 -8.664 0.342 -9.735 168 H ARG 41 H ARG 41 -4.508 1.651 -6.885 169 HA ARG 41 HA ARG 41 -3.433 -1.019 -6.996 170 HB2 ARG 41 HB2 ARG 41 -1.516 1.328 -6.931 171 HB3 ARG 41 HB3 ARG 41 -1.117 -0.359 -6.758 172 HG2 ARG 41 HG2 ARG 41 -2.286 0.837 -9.236 173 HG3 ARG 41 HG3 ARG 41 -0.573 0.517 -8.960 174 HD2 ARG 41 HD2 ARG 41 -1.321 -1.899 -8.478 175 HD3 ARG 41 HD3 ARG 41 -2.825 -1.434 -9.269 176 HE ARG 41 HE ARG 41 -1.652 -1.136 -11.292 177 HH11 ARG 41 HH11 ARG 41 0.384 -2.328 -8.711 178 HH12 ARG 41 HH12 ARG 41 1.601 -2.951 -9.774 179 HH21 ARG 41 HH21 ARG 41 -0.051 -1.961 -12.713 180 HH22 ARG 41 HH22 ARG 41 1.350 -2.742 -12.062 181 H CYS 42 H CYS 42 -1.479 -0.651 -5.059 182 HA CYS 42 HA CYS 42 -2.906 0.246 -2.779 183 HB2 CYS 42 HB2 CYS 42 -2.470 -2.747 -2.970 184 HB3 CYS 42 HB3 CYS 42 -3.059 -1.878 -1.561 185 H LEU 43 H LEU 43 -1.434 0.844 -1.301 186 HA LEU 43 HA LEU 43 1.354 0.202 -1.914 187 HB2 LEU 43 HB2 LEU 43 0.295 2.533 -1.868 188 HB3 LEU 43 HB3 LEU 43 0.309 2.376 -0.120 189 HG LEU 43 HG LEU 43 2.224 3.626 -1.440 190 HD11 LEU 43 HD11 LEU 43 2.045 3.476 0.950 191 HD12 LEU 43 HD12 LEU 43 3.707 3.201 0.430 192 HD13 LEU 43 HD13 LEU 43 2.699 1.837 0.920 193 HD21 LEU 43 HD21 LEU 43 2.874 1.725 -2.821 194 HD22 LEU 43 HD22 LEU 43 3.209 0.775 -1.374 195 HD23 LEU 43 HD23 LEU 43 4.188 2.194 -1.743 196 H PHE 44 H PHE 44 2.543 -1.019 -0.611 197 HA PHE 44 HA PHE 44 2.036 -1.044 2.279 198 HB2 PHE 44 HB2 PHE 44 0.852 -2.956 1.664 199 HB3 PHE 44 HB3 PHE 44 1.971 -3.372 0.382 200 HD1 PHE 44 HD1 PHE 44 2.992 -2.638 3.885 201 HD2 PHE 44 HD2 PHE 44 2.217 -5.608 0.937 202 HE1 PHE 44 HE1 PHE 44 4.022 -4.349 5.334 203 HE2 PHE 44 HE2 PHE 44 3.231 -7.313 2.378 204 HZ PHE 44 HZ PHE 44 4.128 -6.700 4.573 205 H VAL 45 H VAL 45 3.881 -0.326 3.129 206 HA VAL 45 HA VAL 45 6.426 -1.139 1.876 207 HB VAL 45 HB VAL 45 5.961 1.237 3.692 208 HG11 VAL 45 HG11 VAL 45 8.234 1.891 3.061 209 HG12 VAL 45 HG12 VAL 45 8.398 0.406 2.124 210 HG13 VAL 45 HG13 VAL 45 8.209 0.325 3.875 211 HG21 VAL 45 HG21 VAL 45 6.331 2.614 1.684 212 HG22 VAL 45 HG22 VAL 45 4.885 1.613 1.545 213 HG23 VAL 45 HG23 VAL 45 6.363 1.150 0.701 214 H GLN 46 H GLN 46 7.951 -2.144 3.179 215 HA GLN 46 HA GLN 46 6.871 -3.439 5.550 216 HB2 GLN 46 HB2 GLN 46 9.698 -3.676 4.589 217 HB3 GLN 46 HB3 GLN 46 8.782 -4.819 5.541 218 HG2 GLN 46 HG2 GLN 46 8.450 -4.222 2.607 219 HG3 GLN 46 HG3 GLN 46 9.139 -5.655 3.351 220 HE21 GLN 46 HE21 GLN 46 7.245 -5.973 5.415 221 HE22 GLN 46 HE22 GLN 46 5.776 -6.513 4.681 222 H LEU 47 H LEU 47 7.688 -3.219 7.602 223 HA LEU 47 HA LEU 47 9.701 -1.191 8.092 224 HB2 LEU 47 HB2 LEU 47 6.918 -1.063 9.207 225 HB3 LEU 47 HB3 LEU 47 8.260 -0.520 10.189 226 HG LEU 47 HG LEU 47 7.270 1.386 9.155 227 HD11 LEU 47 HD11 LEU 47 9.143 2.300 7.875 228 HD12 LEU 47 HD12 LEU 47 9.830 0.681 7.740 229 HD13 LEU 47 HD13 LEU 47 9.684 1.448 9.322 230 HD21 LEU 47 HD21 LEU 47 7.635 -0.035 6.531 231 HD22 LEU 47 HD22 LEU 47 7.136 1.645 6.721 232 HD23 LEU 47 HD23 LEU 47 6.107 0.345 7.326 233 HA PRO 48 HA PRO 48 11.002 -4.307 10.955 234 HB2 PRO 48 HB2 PRO 48 12.199 -2.290 12.685 235 HB3 PRO 48 HB3 PRO 48 12.988 -3.475 11.645 236 HG2 PRO 48 HG2 PRO 48 13.027 -0.826 11.119 237 HG3 PRO 48 HG3 PRO 48 13.043 -2.052 9.841 238 HD2 PRO 48 HD2 PRO 48 10.749 -0.418 10.872 239 HD3 PRO 48 HD3 PRO 48 11.181 -0.820 9.195 240 H TYR 49 H TYR 49 8.344 -2.924 11.546 241 HA TYR 49 HA TYR 49 7.946 -3.855 14.108 242 HB2 TYR 49 HB2 TYR 49 7.332 -1.686 15.275 243 HB3 TYR 49 HB3 TYR 49 9.051 -1.984 15.067 244 HD1 TYR 49 HD1 TYR 49 10.305 -0.715 13.300 245 HD2 TYR 49 HD2 TYR 49 6.293 0.235 14.344 246 HE1 TYR 49 HE1 TYR 49 10.565 1.494 12.256 247 HE2 TYR 49 HE2 TYR 49 6.539 2.447 13.297 248 HH TYR 49 HH TYR 49 9.141 3.249 11.276 249 H SER 50 H SER 50 6.727 -1.188 12.080 250 HA SER 50 HA SER 50 4.128 -2.535 12.070 251 HB2 SER 50 HB2 SER 50 4.801 0.361 11.474 252 HB3 SER 50 HB3 SER 50 3.185 -0.324 11.638 253 HG SER 50 HG SER 50 3.428 0.292 13.645 254 H GLU 51 H GLU 51 3.110 -0.965 9.876 255 HA GLU 51 HA GLU 51 4.857 -1.443 7.599 256 HB2 GLU 51 HB2 GLU 51 3.160 -2.814 6.452 257 HB3 GLU 51 HB3 GLU 51 3.703 -3.590 7.935 258 HG2 GLU 51 HG2 GLU 51 1.692 -2.665 9.071 259 HG3 GLU 51 HG3 GLU 51 1.133 -2.094 7.502 260 H ILE 52 H ILE 52 4.160 -0.301 5.708 261 HA ILE 52 HA ILE 52 2.364 1.939 6.364 262 HB ILE 52 HB ILE 52 4.275 1.662 4.035 263 HG12 ILE 52 HG12 ILE 52 4.372 3.446 6.468 264 HG13 ILE 52 HG13 ILE 52 5.386 2.041 6.200 265 HG21 ILE 52 HG21 ILE 52 2.536 3.990 4.846 266 HG22 ILE 52 HG22 ILE 52 2.269 2.939 3.455 267 HG23 ILE 52 HG23 ILE 52 3.695 3.975 3.516 268 HD11 ILE 52 HD11 ILE 52 6.390 3.139 4.262 269 HD12 ILE 52 HD12 ILE 52 6.591 4.092 5.733 270 HD13 ILE 52 HD13 ILE 52 5.374 4.553 4.544 271 H GLN 53 H GLN 53 0.493 2.221 5.139 272 HA GLN 53 HA GLN 53 -0.121 0.353 3.113 273 HB2 GLN 53 HB2 GLN 53 -1.822 0.286 5.620 274 HB3 GLN 53 HB3 GLN 53 -2.139 -0.591 4.128 275 HG2 GLN 53 HG2 GLN 53 -0.107 -1.891 4.440 276 HG3 GLN 53 HG3 GLN 53 0.252 -0.997 5.915 277 HE21 GLN 53 HE21 GLN 53 -1.635 -3.483 4.459 278 HE22 GLN 53 HE22 GLN 53 -2.350 -4.076 5.913 279 H GLU 54 H GLU 54 -1.323 1.396 1.688 280 HA GLU 54 HA GLU 54 -3.145 3.544 2.307 281 HB2 GLU 54 HB2 GLU 54 -1.301 4.892 2.686 282 HB3 GLU 54 HB3 GLU 54 -0.254 3.930 1.660 283 HG2 GLU 54 HG2 GLU 54 -0.430 5.985 0.613 284 HG3 GLU 54 HG3 GLU 54 -1.482 4.912 -0.300 285 H CYS 55 H CYS 55 -3.978 4.504 0.233 286 HA CYS 55 HA CYS 55 -3.816 2.488 -1.918 287 HB2 CYS 55 HB2 CYS 55 -5.893 4.678 -1.836 288 HB3 CYS 55 HB3 CYS 55 -5.898 3.189 -2.759 289 H LYS 56 H LYS 56 -2.963 3.157 -3.848 290 HA LYS 56 HA LYS 56 -2.251 5.953 -4.102 291 HB2 LYS 56 HB2 LYS 56 -0.228 3.707 -4.162 292 HB3 LYS 56 HB3 LYS 56 0.081 5.259 -4.911 293 HG2 LYS 56 HG2 LYS 56 -0.416 4.742 -1.993 294 HG3 LYS 56 HG3 LYS 56 1.116 5.183 -2.751 295 HD2 LYS 56 HD2 LYS 56 0.116 7.324 -3.455 296 HD3 LYS 56 HD3 LYS 56 -1.375 6.885 -2.619 297 HE2 LYS 56 HE2 LYS 56 0.160 6.586 -0.560 298 HE3 LYS 56 HE3 LYS 56 1.311 7.551 -1.476 299 HZ1 LYS 56 HZ1 LYS 56 -1.359 8.314 -0.459 300 HZ2 LYS 56 HZ2 LYS 56 -0.627 9.176 -1.726 301 HZ3 LYS 56 HZ3 LYS 56 0.131 9.089 -0.219 302 H THR 57 H THR 57 -2.261 6.620 -6.268 303 HA THR 57 HA THR 57 -3.452 5.011 -8.187 304 HB THR 57 HB THR 57 -2.823 6.628 -9.866 305 HG1 THR 57 HG1 THR 57 -1.395 8.444 -8.749 306 HG21 THR 57 HG21 THR 57 -3.607 8.712 -8.850 307 HG22 THR 57 HG22 THR 57 -3.356 8.024 -7.246 308 HG23 THR 57 HG23 THR 57 -4.572 7.333 -8.323 309 H VAL 58 H VAL 58 -2.606 3.887 -9.994 310 HA VAL 58 HA VAL 58 -0.619 2.154 -9.550 311 HB VAL 58 HB VAL 58 -1.136 3.308 -12.324 312 HG11 VAL 58 HG11 VAL 58 -0.530 1.069 -13.115 313 HG12 VAL 58 HG12 VAL 58 -0.158 0.593 -11.459 314 HG13 VAL 58 HG13 VAL 58 0.794 1.849 -12.250 315 HG21 VAL 58 HG21 VAL 58 -3.239 2.686 -11.190 316 HG22 VAL 58 HG22 VAL 58 -2.610 1.054 -10.969 317 HG23 VAL 58 HG23 VAL 58 -2.890 1.676 -12.591 318 H GLN 59 H GLN 59 -0.191 5.322 -11.159 319 HA GLN 59 HA GLN 59 2.581 4.968 -11.780 320 HB2 GLN 59 HB2 GLN 59 1.450 6.573 -13.099 321 HB3 GLN 59 HB3 GLN 59 0.770 7.371 -11.685 322 HG2 GLN 59 HG2 GLN 59 3.063 8.064 -11.028 323 HG3 GLN 59 HG3 GLN 59 3.657 7.377 -12.544 324 HE21 GLN 59 HE21 GLN 59 3.812 10.109 -11.619 325 HE22 GLN 59 HE22 GLN 59 2.977 11.067 -12.802 326 H GLN 60 H GLN 60 0.841 6.865 -9.323 327 HA GLN 60 HA GLN 60 3.135 7.980 -8.103 328 HB2 GLN 60 HB2 GLN 60 0.366 8.195 -7.825 329 HB3 GLN 60 HB3 GLN 60 0.880 7.503 -6.296 330 HG2 GLN 60 HG2 GLN 60 2.024 10.015 -7.490 331 HG3 GLN 60 HG3 GLN 60 0.719 9.975 -6.307 332 HE21 GLN 60 HE21 GLN 60 4.105 9.554 -6.869 333 HE22 GLN 60 HE22 GLN 60 4.574 9.453 -5.197 334 H CYS 61 H CYS 61 1.351 5.004 -7.604 335 HA CYS 61 HA CYS 61 2.713 4.231 -5.241 336 HB2 CYS 61 HB2 CYS 61 0.483 3.388 -6.328 337 HB3 CYS 61 HB3 CYS 61 1.522 2.284 -7.203 338 H ALA 62 H ALA 62 3.441 3.861 -8.662 339 HA ALA 62 HA ALA 62 5.577 1.942 -8.248 340 HB1 ALA 62 HB1 ALA 62 4.462 2.015 -10.415 341 HB2 ALA 62 HB2 ALA 62 6.167 2.435 -10.584 342 HB3 ALA 62 HB3 ALA 62 4.939 3.701 -10.620 343 H GLU 63 H GLU 63 5.163 5.409 -8.667 344 HA GLU 63 HA GLU 63 7.778 6.276 -8.534 345 HB2 GLU 63 HB2 GLU 63 5.212 7.483 -7.494 346 HB3 GLU 63 HB3 GLU 63 6.717 8.368 -7.542 347 HG2 GLU 63 HG2 GLU 63 6.800 8.150 -9.957 348 HG3 GLU 63 HG3 GLU 63 5.320 7.190 -9.925 349 H VAL 64 H VAL 64 5.507 6.139 -5.790 350 HA VAL 64 HA VAL 64 7.315 6.468 -3.836 351 HB VAL 64 HB VAL 64 5.543 5.783 -2.395 352 HG11 VAL 64 HG11 VAL 64 3.735 7.203 -3.167 353 HG12 VAL 64 HG12 VAL 64 4.459 7.207 -4.779 354 HG13 VAL 64 HG13 VAL 64 5.313 7.949 -3.420 355 HG21 VAL 64 HG21 VAL 64 4.844 3.768 -3.249 356 HG22 VAL 64 HG22 VAL 64 4.426 4.512 -4.788 357 HG23 VAL 64 HG23 VAL 64 3.453 4.851 -3.351 358 H LEU 65 H LEU 65 6.274 3.407 -5.318 359 HA LEU 65 HA LEU 65 7.470 1.657 -3.627 360 HB2 LEU 65 HB2 LEU 65 6.309 1.363 -6.009 361 HB3 LEU 65 HB3 LEU 65 7.973 1.243 -6.539 362 HG LEU 65 HG LEU 65 7.396 -0.959 -6.238 363 HD11 LEU 65 HD11 LEU 65 8.384 -1.790 -4.126 364 HD12 LEU 65 HD12 LEU 65 8.610 -0.100 -3.668 365 HD13 LEU 65 HD13 LEU 65 9.407 -0.737 -5.103 366 HD21 LEU 65 HD21 LEU 65 5.188 -0.590 -5.320 367 HD22 LEU 65 HD22 LEU 65 5.896 -0.201 -3.753 368 HD23 LEU 65 HD23 LEU 65 6.039 -1.834 -4.405 369 H GLU 66 H GLU 66 9.042 3.278 -6.378 370 HA GLU 66 HA GLU 66 11.531 2.151 -5.775 371 HB2 GLU 66 HB2 GLU 66 10.765 2.948 -8.038 372 HB3 GLU 66 HB3 GLU 66 11.086 4.586 -7.484 373 HG2 GLU 66 HG2 GLU 66 12.929 3.731 -8.811 374 HG3 GLU 66 HG3 GLU 66 13.431 4.027 -7.147 375 H GLU 67 H GLU 67 10.033 5.041 -4.625 376 HA GLU 67 HA GLU 67 12.426 6.476 -4.054 377 HB2 GLU 67 HB2 GLU 67 11.001 7.927 -2.748 378 HB3 GLU 67 HB3 GLU 67 10.219 7.559 -4.287 379 HG2 GLU 67 HG2 GLU 67 8.897 5.904 -3.282 380 HG3 GLU 67 HG3 GLU 67 9.695 6.147 -1.739 381 H VAL 68 H VAL 68 10.199 4.435 -2.178 382 HA VAL 68 HA VAL 68 11.859 4.418 0.109 383 HB VAL 68 HB VAL 68 10.361 2.642 0.961 384 HG11 VAL 68 HG11 VAL 68 9.706 4.946 1.241 385 HG12 VAL 68 HG12 VAL 68 8.278 3.964 0.912 386 HG13 VAL 68 HG13 VAL 68 8.972 4.967 -0.362 387 HG21 VAL 68 HG21 VAL 68 9.949 1.390 -1.086 388 HG22 VAL 68 HG22 VAL 68 9.098 2.764 -1.788 389 HG23 VAL 68 HG23 VAL 68 8.420 1.927 -0.393 390 H THR 69 H THR 69 11.511 2.189 -2.589 391 HA THR 69 HA THR 69 12.987 0.090 -1.422 392 HB THR 69 HB THR 69 12.307 0.660 -4.309 393 HG1 THR 69 HG1 THR 69 10.447 0.265 -3.309 394 HG21 THR 69 HG21 THR 69 12.644 -1.754 -4.679 395 HG22 THR 69 HG22 THR 69 13.314 -1.893 -3.050 396 HG23 THR 69 HG23 THR 69 14.148 -0.925 -4.267 397 H ALA 70 H ALA 70 13.967 2.776 -3.540 398 HA ALA 70 HA ALA 70 16.627 2.084 -3.677 399 HB1 ALA 70 HB1 ALA 70 15.596 3.869 -5.009 400 HB2 ALA 70 HB2 ALA 70 17.069 4.419 -4.211 401 HB3 ALA 70 HB3 ALA 70 15.493 4.879 -3.567 402 H ILE 71 H ILE 71 14.857 3.298 -0.994 403 HA ILE 71 HA ILE 71 17.154 4.250 0.501 404 HB ILE 71 HB ILE 71 14.390 3.605 1.554 405 HG12 ILE 71 HG12 ILE 71 15.459 6.254 0.565 406 HG13 ILE 71 HG13 ILE 71 14.261 5.270 -0.258 407 HG21 ILE 71 HG21 ILE 71 14.991 5.151 3.363 408 HG22 ILE 71 HG22 ILE 71 16.595 5.346 2.655 409 HG23 ILE 71 HG23 ILE 71 16.091 3.775 3.279 410 HD11 ILE 71 HD11 ILE 71 13.930 6.565 2.437 411 HD12 ILE 71 HD12 ILE 71 12.726 5.576 1.610 412 HD13 ILE 71 HD13 ILE 71 13.226 7.120 0.918 413 H GLY 72 H GLY 72 15.467 1.289 -0.044 414 HA2 GLY 72 HA2 GLY 72 16.470 -0.748 0.680 415 HA3 GLY 72 HA3 GLY 72 16.914 0.045 2.186 416 H TYR 73 H TYR 73 13.824 0.957 1.350 417 HA TYR 73 HA TYR 73 12.703 -0.933 3.286 418 HB2 TYR 73 HB2 TYR 73 11.860 1.817 2.397 419 HB3 TYR 73 HB3 TYR 73 10.772 0.744 3.259 420 HD1 TYR 73 HD1 TYR 73 11.641 -0.190 5.528 421 HD2 TYR 73 HD2 TYR 73 13.257 3.235 3.590 422 HE1 TYR 73 HE1 TYR 73 12.575 0.573 7.671 423 HE2 TYR 73 HE2 TYR 73 14.197 4.007 5.726 424 HH TYR 73 HH TYR 73 14.457 2.054 8.436 425 HA PRO 74 HA PRO 74 11.036 -2.973 -0.417 426 HB2 PRO 74 HB2 PRO 74 9.788 -4.428 1.871 427 HB3 PRO 74 HB3 PRO 74 10.529 -5.073 0.415 428 HG2 PRO 74 HG2 PRO 74 11.853 -5.179 2.680 429 HG3 PRO 74 HG3 PRO 74 12.699 -4.684 1.198 430 HD2 PRO 74 HD2 PRO 74 11.682 -2.994 3.450 431 HD3 PRO 74 HD3 PRO 74 13.196 -2.865 2.534 432 H ALA 75 H ALA 75 9.265 -2.139 -1.439 433 HA ALA 75 HA ALA 75 6.809 -1.967 0.169 434 HB1 ALA 75 HB1 ALA 75 7.707 0.215 -0.542 435 HB2 ALA 75 HB2 ALA 75 6.106 -0.117 -1.203 436 HB3 ALA 75 HB3 ALA 75 7.532 -0.288 -2.222 437 H LYS 76 H LYS 76 4.832 -2.446 -0.841 438 HA LYS 76 HA LYS 76 5.031 -4.066 -3.297 439 HB2 LYS 76 HB2 LYS 76 3.049 -4.492 -1.062 440 HB3 LYS 76 HB3 LYS 76 3.439 -5.582 -2.371 441 HG2 LYS 76 HG2 LYS 76 5.667 -4.866 -0.611 442 HG3 LYS 76 HG3 LYS 76 4.363 -5.787 0.141 443 HD2 LYS 76 HD2 LYS 76 4.534 -7.413 -1.733 444 HD3 LYS 76 HD3 LYS 76 5.962 -6.537 -2.291 445 HE2 LYS 76 HE2 LYS 76 6.320 -8.566 -0.833 446 HE3 LYS 76 HE3 LYS 76 7.197 -7.110 -0.392 447 HZ1 LYS 76 HZ1 LYS 76 5.589 -6.686 1.329 448 HZ2 LYS 76 HZ2 LYS 76 6.193 -8.258 1.529 449 HZ3 LYS 76 HZ3 LYS 76 4.656 -8.017 0.855 450 H CYS 77 H CYS 77 3.525 -3.655 -4.892 451 HA CYS 77 HA CYS 77 1.028 -2.323 -4.186 452 HB2 CYS 77 HB2 CYS 77 2.810 -0.585 -4.739 453 HB3 CYS 77 HB3 CYS 77 2.743 -1.181 -6.389 454 H CYS 78 H CYS 78 -0.401 -3.711 -5.008 455 HA CYS 78 HA CYS 78 -0.144 -4.538 -7.817 456 HB2 CYS 78 HB2 CYS 78 -0.968 -6.820 -6.972 457 HB3 CYS 78 HB3 CYS 78 0.712 -6.395 -6.656 458 H CYS 79 H CYS 79 -2.370 -5.979 -8.248 459 HA CYS 79 HA CYS 79 -4.468 -4.015 -7.616 460 HB2 CYS 79 HB2 CYS 79 -4.263 -5.624 -10.165 461 HB3 CYS 79 HB3 CYS 79 -5.497 -4.441 -9.765 462 HG CYS 79 HG CYS 79 -4.050 -2.252 -10.142 463 H GLU 80 H GLU 80 -5.477 -5.064 -6.005 464 HA GLU 80 HA GLU 80 -7.503 -6.858 -6.633 465 HB2 GLU 80 HB2 GLU 80 -6.789 -8.951 -6.068 466 HB3 GLU 80 HB3 GLU 80 -5.203 -8.310 -6.450 467 HG2 GLU 80 HG2 GLU 80 -4.555 -8.890 -4.427 468 HG3 GLU 80 HG3 GLU 80 -5.632 -7.654 -3.778 469 H ASP 81 H ASP 81 -8.486 -7.618 -4.268 470 HA ASP 81 HA ASP 81 -8.582 -5.022 -2.930 471 HB2 ASP 81 HB2 ASP 81 -10.168 -7.545 -2.430 472 HB3 ASP 81 HB3 ASP 81 -10.168 -6.172 -1.334 473 H LEU 82 H LEU 82 -7.667 -4.653 -1.059 474 HA LEU 82 HA LEU 82 -6.296 -4.886 0.731 475 HB2 LEU 82 HB2 LEU 82 -6.985 -7.825 0.708 476 HB3 LEU 82 HB3 LEU 82 -6.536 -6.841 2.080 477 HG LEU 82 HG LEU 82 -8.742 -6.974 2.502 478 HD11 LEU 82 HD11 LEU 82 -8.456 -4.631 2.192 479 HD12 LEU 82 HD12 LEU 82 -10.066 -5.112 1.653 480 HD13 LEU 82 HD13 LEU 82 -8.798 -4.790 0.470 481 HD21 LEU 82 HD21 LEU 82 -10.513 -7.251 0.786 482 HD22 LEU 82 HD22 LEU 82 -9.341 -8.561 0.911 483 HD23 LEU 82 HD23 LEU 82 -9.216 -7.394 -0.402 484 H CYS 83 H CYS 83 -5.439 -5.715 -2.140 485 HA CYS 83 HA CYS 83 -3.542 -7.644 -2.017 486 HB2 CYS 83 HB2 CYS 83 -4.428 -6.255 -4.032 487 HB3 CYS 83 HB3 CYS 83 -3.032 -5.225 -3.721 488 H ASN 84 H ASN 84 -3.293 -4.499 -0.679 489 HA ASN 84 HA ASN 84 -0.385 -4.651 -0.426 490 HB2 ASN 84 HB2 ASN 84 -0.537 -2.503 0.748 491 HB3 ASN 84 HB3 ASN 84 -1.286 -2.412 -0.831 492 HD21 ASN 84 HD21 ASN 84 -1.603 -0.742 1.487 493 HD22 ASN 84 HD22 ASN 84 -3.291 -0.757 1.886 494 H ARG 85 H ARG 85 -0.734 -6.716 0.529 495 HA ARG 85 HA ARG 85 -1.875 -6.697 3.234 496 HB2 ARG 85 HB2 ARG 85 -3.199 -7.900 1.645 497 HB3 ARG 85 HB3 ARG 85 -1.809 -8.797 1.072 498 HG2 ARG 85 HG2 ARG 85 -1.731 -10.082 3.065 499 HG3 ARG 85 HG3 ARG 85 -2.913 -9.033 3.858 500 HD2 ARG 85 HD2 ARG 85 -3.858 -11.189 3.002 501 HD3 ARG 85 HD3 ARG 85 -4.650 -9.743 2.377 502 HE ARG 85 HE ARG 85 -2.627 -11.238 0.831 503 HH11 ARG 85 HH11 ARG 85 -5.723 -9.597 1.028 504 HH12 ARG 85 HH12 ARG 85 -6.090 -9.815 -0.655 505 HH21 ARG 85 HH21 ARG 85 -3.137 -11.514 -1.401 506 HH22 ARG 85 HH22 ARG 85 -4.648 -10.900 -2.024 507 H SER 86 H SER 86 -0.715 -7.360 4.850 508 HA SER 86 HA SER 86 2.027 -7.652 4.716 509 HB2 SER 86 HB2 SER 86 0.662 -8.870 7.041 510 HB3 SER 86 HB3 SER 86 1.900 -7.612 6.988 511 HG SER 86 HG SER 86 0.398 -6.084 6.692 512 H GLU 87 H GLU 87 3.424 -9.356 4.676 513 HA GLU 87 HA GLU 87 2.522 -11.904 3.872 514 HB2 GLU 87 HB2 GLU 87 5.215 -11.288 5.101 515 HB3 GLU 87 HB3 GLU 87 4.823 -12.577 3.972 516 HG2 GLU 87 HG2 GLU 87 5.717 -11.163 2.472 517 HG3 GLU 87 HG3 GLU 87 4.106 -10.451 2.501 518 H GLN 88 H GLN 88 3.897 -10.733 6.908 519 HA GLN 88 HA GLN 88 3.880 -11.578 9.032 520 HB2 GLN 88 HB2 GLN 88 1.581 -11.695 9.948 521 HB3 GLN 88 HB3 GLN 88 1.870 -10.265 8.970 522 HG2 GLN 88 HG2 GLN 88 0.798 -11.570 7.058 523 HG3 GLN 88 HG3 GLN 88 0.246 -12.692 8.300 524 HE21 GLN 88 HE21 GLN 88 -1.225 -10.902 6.498 525 HE22 GLN 88 HE22 GLN 88 -2.213 -9.919 7.520 Start of MODEL 12 1 H MET 18 H MET 18 -12.254 2.398 -11.801 2 HA MET 18 HA MET 18 -13.412 0.660 -10.752 3 HB2 MET 18 HB2 MET 18 -11.007 -1.021 -11.478 4 HB3 MET 18 HB3 MET 18 -12.250 -1.535 -10.347 5 HG2 MET 18 HG2 MET 18 -13.925 -1.417 -12.102 6 HG3 MET 18 HG3 MET 18 -12.705 -0.851 -13.241 7 HE1 MET 18 HE1 MET 18 -12.667 -5.066 -11.349 8 HE2 MET 18 HE2 MET 18 -13.924 -3.872 -11.028 9 HE3 MET 18 HE3 MET 18 -12.282 -3.599 -10.449 10 H ALA 19 H ALA 19 -13.286 1.827 -8.905 11 HA ALA 19 HA ALA 19 -11.102 2.420 -7.430 12 HB1 ALA 19 HB1 ALA 19 -13.826 1.710 -6.346 13 HB2 ALA 19 HB2 ALA 19 -13.348 3.279 -6.995 14 HB3 ALA 19 HB3 ALA 19 -12.600 2.670 -5.519 15 H LEU 20 H LEU 20 -9.682 1.347 -6.143 16 HA LEU 20 HA LEU 20 -10.191 -1.525 -5.759 17 HB2 LEU 20 HB2 LEU 20 -8.268 -0.902 -7.302 18 HB3 LEU 20 HB3 LEU 20 -7.480 -0.207 -5.898 19 HG LEU 20 HG LEU 20 -7.528 -2.440 -4.811 20 HD11 LEU 20 HD11 LEU 20 -9.439 -3.373 -5.990 21 HD12 LEU 20 HD12 LEU 20 -8.020 -4.401 -6.190 22 HD13 LEU 20 HD13 LEU 20 -8.536 -3.345 -7.505 23 HD21 LEU 20 HD21 LEU 20 -5.772 -3.433 -6.225 24 HD22 LEU 20 HD22 LEU 20 -5.532 -1.704 -5.974 25 HD23 LEU 20 HD23 LEU 20 -6.179 -2.291 -7.506 26 H LYS 21 H LYS 21 -10.465 -2.051 -3.652 27 HA LYS 21 HA LYS 21 -10.101 0.070 -1.689 28 HB2 LYS 21 HB2 LYS 21 -11.307 -2.679 -1.370 29 HB3 LYS 21 HB3 LYS 21 -11.413 -1.344 -0.227 30 HG2 LYS 21 HG2 LYS 21 -12.753 -0.070 -1.734 31 HG3 LYS 21 HG3 LYS 21 -12.502 -1.241 -3.026 32 HD2 LYS 21 HD2 LYS 21 -13.836 -1.892 -0.417 33 HD3 LYS 21 HD3 LYS 21 -14.711 -1.386 -1.864 34 HE2 LYS 21 HE2 LYS 21 -13.035 -3.848 -1.483 35 HE3 LYS 21 HE3 LYS 21 -14.771 -3.761 -1.770 36 HZ1 LYS 21 HZ1 LYS 21 -13.595 -4.390 -3.779 37 HZ2 LYS 21 HZ2 LYS 21 -12.635 -3.005 -3.696 38 HZ3 LYS 21 HZ3 LYS 21 -14.299 -2.860 -3.985 39 H CYS 22 H CYS 22 -8.316 0.207 -0.553 40 HA CYS 22 HA CYS 22 -6.706 -2.223 -0.160 41 HB2 CYS 22 HB2 CYS 22 -5.574 0.571 -0.191 42 HB3 CYS 22 HB3 CYS 22 -4.712 -0.957 -0.334 43 H PHE 23 H PHE 23 -5.309 -2.038 1.835 44 HA PHE 23 HA PHE 23 -6.995 -1.199 4.057 45 HB2 PHE 23 HB2 PHE 23 -4.500 -2.847 3.817 46 HB3 PHE 23 HB3 PHE 23 -4.949 -2.155 5.370 47 HD1 PHE 23 HD1 PHE 23 -6.113 -4.407 2.673 48 HD2 PHE 23 HD2 PHE 23 -6.583 -3.138 6.703 49 HE1 PHE 23 HE1 PHE 23 -7.617 -6.302 3.097 50 HE2 PHE 23 HE2 PHE 23 -8.086 -5.034 7.133 51 HZ PHE 23 HZ PHE 23 -8.606 -6.622 5.325 52 H THR 24 H THR 24 -6.637 0.550 5.260 53 HA THR 24 HA THR 24 -4.058 1.949 4.988 54 HB THR 24 HB THR 24 -6.772 3.213 5.474 55 HG1 THR 24 HG1 THR 24 -6.964 2.971 3.370 56 HG21 THR 24 HG21 THR 24 -5.601 5.324 5.014 57 HG22 THR 24 HG22 THR 24 -4.082 4.442 4.849 58 HG23 THR 24 HG23 THR 24 -4.904 4.493 6.407 59 H ARG 25 H ARG 25 -3.115 2.678 6.944 60 HA ARG 25 HA ARG 25 -4.247 1.320 9.284 61 HB2 ARG 25 HB2 ARG 25 -1.458 2.307 8.756 62 HB3 ARG 25 HB3 ARG 25 -2.010 1.754 10.333 63 HG2 ARG 25 HG2 ARG 25 -2.591 -0.422 9.311 64 HG3 ARG 25 HG3 ARG 25 -1.886 0.145 7.797 65 HD2 ARG 25 HD2 ARG 25 -0.193 -1.093 8.815 66 HD3 ARG 25 HD3 ARG 25 0.220 0.587 9.133 67 HE ARG 25 HE ARG 25 -1.089 -0.015 11.368 68 HH11 ARG 25 HH11 ARG 25 1.283 -1.854 9.599 69 HH12 ARG 25 HH12 ARG 25 1.905 -2.680 10.990 70 HH21 ARG 25 HH21 ARG 25 -0.243 -1.052 13.265 71 HH22 ARG 25 HH22 ARG 25 1.059 -2.184 13.081 72 H ASN 26 H ASN 26 -5.465 2.544 10.514 73 HA ASN 26 HA ASN 26 -4.671 5.347 10.900 74 HB2 ASN 26 HB2 ASN 26 -7.140 5.606 11.706 75 HB3 ASN 26 HB3 ASN 26 -6.772 5.649 9.992 76 HD21 ASN 26 HD21 ASN 26 -7.040 2.790 12.107 77 HD22 ASN 26 HD22 ASN 26 -8.377 2.097 11.247 78 H GLY 27 H GLY 27 -3.665 5.554 12.756 79 HA2 GLY 27 HA2 GLY 27 -3.524 5.586 15.125 80 HA3 GLY 27 HA3 GLY 27 -4.828 4.404 15.190 81 H ASP 28 H ASP 28 -4.320 2.258 14.218 82 HA ASP 28 HA ASP 28 -1.571 1.540 14.028 83 HB2 ASP 28 HB2 ASP 28 -1.639 1.308 16.416 84 HB3 ASP 28 HB3 ASP 28 -3.164 0.425 16.341 85 H ASP 29 H ASP 29 -4.935 0.490 14.234 86 HA ASP 29 HA ASP 29 -4.470 -2.097 13.087 87 HB2 ASP 29 HB2 ASP 29 -6.814 -2.378 13.100 88 HB3 ASP 29 HB3 ASP 29 -6.472 -1.420 14.537 89 H ARG 30 H ARG 30 -6.077 -2.465 11.046 90 HA ARG 30 HA ARG 30 -5.295 -0.498 9.086 91 HB2 ARG 30 HB2 ARG 30 -4.687 -2.258 7.438 92 HB3 ARG 30 HB3 ARG 30 -3.569 -2.158 8.788 93 HG2 ARG 30 HG2 ARG 30 -5.020 -4.069 9.788 94 HG3 ARG 30 HG3 ARG 30 -5.542 -4.292 8.117 95 HD2 ARG 30 HD2 ARG 30 -3.716 -5.744 8.371 96 HD3 ARG 30 HD3 ARG 30 -3.058 -4.341 7.528 97 HE ARG 30 HE ARG 30 -2.812 -4.221 10.395 98 HH11 ARG 30 HH11 ARG 30 -1.260 -5.254 7.419 99 HH12 ARG 30 HH12 ARG 30 0.331 -5.312 8.125 100 HH21 ARG 30 HH21 ARG 30 -0.723 -4.334 11.311 101 HH22 ARG 30 HH22 ARG 30 0.635 -4.794 10.321 102 H THR 31 H THR 31 -7.201 0.214 8.487 103 HA THR 31 HA THR 31 -9.467 -1.586 8.436 104 HB THR 31 HB THR 31 -9.487 1.384 7.900 105 HG1 THR 31 HG1 THR 31 -9.031 -0.001 10.290 106 HG21 THR 31 HG21 THR 31 -11.554 -0.488 9.061 107 HG22 THR 31 HG22 THR 31 -11.566 0.180 7.429 108 HG23 THR 31 HG23 THR 31 -11.753 1.248 8.820 109 H VAL 32 H VAL 32 -10.867 -1.835 6.648 110 HA VAL 32 HA VAL 32 -9.599 -1.697 4.041 111 HB VAL 32 HB VAL 32 -12.413 -2.522 4.801 112 HG11 VAL 32 HG11 VAL 32 -10.979 -2.723 2.153 113 HG12 VAL 32 HG12 VAL 32 -12.333 -1.656 2.529 114 HG13 VAL 32 HG13 VAL 32 -12.564 -3.404 2.516 115 HG21 VAL 32 HG21 VAL 32 -10.750 -4.085 5.632 116 HG22 VAL 32 HG22 VAL 32 -10.022 -4.184 4.027 117 HG23 VAL 32 HG23 VAL 32 -11.655 -4.793 4.293 118 H THR 33 H THR 33 -9.519 0.245 3.101 119 HA THR 33 HA THR 33 -11.840 2.012 3.446 120 HB THR 33 HB THR 33 -10.358 3.845 2.602 121 HG1 THR 33 HG1 THR 33 -8.703 1.991 2.012 122 HG21 THR 33 HG21 THR 33 -9.246 4.214 4.760 123 HG22 THR 33 HG22 THR 33 -9.537 2.530 5.196 124 HG23 THR 33 HG23 THR 33 -10.897 3.632 4.976 125 H THR 34 H THR 34 -12.796 2.827 1.611 126 HA THR 34 HA THR 34 -12.202 1.310 -0.809 127 HB THR 34 HB THR 34 -14.502 1.111 -0.346 128 HG1 THR 34 HG1 THR 34 -14.297 3.289 -2.174 129 HG21 THR 34 HG21 THR 34 -14.646 4.093 0.056 130 HG22 THR 34 HG22 THR 34 -14.594 2.896 1.348 131 HG23 THR 34 HG23 THR 34 -15.966 2.935 0.236 132 H CYS 35 H CYS 35 -10.751 2.259 -1.981 133 HA CYS 35 HA CYS 35 -10.282 5.075 -1.777 134 HB2 CYS 35 HB2 CYS 35 -8.746 3.418 -3.707 135 HB3 CYS 35 HB3 CYS 35 -8.178 4.536 -2.490 136 H ALA 36 H ALA 36 -9.523 6.028 -4.161 137 HA ALA 36 HA ALA 36 -12.153 6.275 -5.409 138 HB1 ALA 36 HB1 ALA 36 -11.224 8.231 -6.540 139 HB2 ALA 36 HB2 ALA 36 -9.652 7.914 -5.808 140 HB3 ALA 36 HB3 ALA 36 -11.025 8.351 -4.792 141 H GLU 37 H GLU 37 -12.294 6.245 -7.767 142 HA GLU 37 HA GLU 37 -11.317 4.166 -9.124 143 HB2 GLU 37 HB2 GLU 37 -12.050 6.916 -10.107 144 HB3 GLU 37 HB3 GLU 37 -11.631 5.623 -11.215 145 HG2 GLU 37 HG2 GLU 37 -13.827 5.401 -9.183 146 HG3 GLU 37 HG3 GLU 37 -14.077 5.974 -10.833 147 H GLU 38 H GLU 38 -9.663 7.182 -8.603 148 HA GLU 38 HA GLU 38 -7.603 6.969 -10.406 149 HB2 GLU 38 HB2 GLU 38 -8.159 8.937 -8.966 150 HB3 GLU 38 HB3 GLU 38 -7.409 8.104 -7.613 151 HG2 GLU 38 HG2 GLU 38 -5.303 8.017 -8.978 152 HG3 GLU 38 HG3 GLU 38 -6.094 9.108 -10.115 153 H GLN 39 H GLN 39 -7.995 5.218 -7.372 154 HA GLN 39 HA GLN 39 -5.147 4.504 -7.367 155 HB2 GLN 39 HB2 GLN 39 -7.190 3.578 -5.354 156 HB3 GLN 39 HB3 GLN 39 -5.447 3.448 -5.246 157 HG2 GLN 39 HG2 GLN 39 -7.182 5.824 -4.856 158 HG3 GLN 39 HG3 GLN 39 -6.020 5.116 -3.752 159 HE21 GLN 39 HE21 GLN 39 -6.625 7.291 -6.202 160 HE22 GLN 39 HE22 GLN 39 -5.055 8.031 -6.328 161 H THR 40 H THR 40 -5.176 3.196 -9.186 162 HA THR 40 HA THR 40 -6.791 0.820 -9.085 163 HB THR 40 HB THR 40 -5.225 0.443 -11.232 164 HG1 THR 40 HG1 THR 40 -5.378 3.159 -11.562 165 HG21 THR 40 HG21 THR 40 -6.929 1.611 -12.554 166 HG22 THR 40 HG22 THR 40 -7.511 2.415 -11.096 167 HG23 THR 40 HG23 THR 40 -7.665 0.665 -11.260 168 H ARG 41 H ARG 41 -4.641 1.339 -7.096 169 HA ARG 41 HA ARG 41 -3.282 -1.196 -7.228 170 HB2 ARG 41 HB2 ARG 41 -1.941 0.724 -8.459 171 HB3 ARG 41 HB3 ARG 41 -1.548 1.208 -6.831 172 HG2 ARG 41 HG2 ARG 41 0.161 -0.147 -7.846 173 HG3 ARG 41 HG3 ARG 41 -0.523 -0.915 -6.420 174 HD2 ARG 41 HD2 ARG 41 -1.580 -2.550 -7.644 175 HD3 ARG 41 HD3 ARG 41 -1.610 -1.599 -9.130 176 HE ARG 41 HE ARG 41 0.746 -2.986 -8.000 177 HH11 ARG 41 HH11 ARG 41 -0.889 -1.516 -10.720 178 HH12 ARG 41 HH12 ARG 41 0.330 -1.968 -11.861 179 HH21 ARG 41 HH21 ARG 41 2.355 -3.576 -9.487 180 HH22 ARG 41 HH22 ARG 41 2.188 -3.144 -11.158 181 H CYS 42 H CYS 42 -1.545 -0.899 -5.190 182 HA CYS 42 HA CYS 42 -2.827 0.297 -2.972 183 HB2 CYS 42 HB2 CYS 42 -2.552 -2.731 -2.913 184 HB3 CYS 42 HB3 CYS 42 -3.018 -1.706 -1.566 185 H LEU 43 H LEU 43 -1.276 0.765 -1.422 186 HA LEU 43 HA LEU 43 1.462 0.002 -2.196 187 HB2 LEU 43 HB2 LEU 43 0.536 2.485 -1.845 188 HB3 LEU 43 HB3 LEU 43 0.926 2.122 -0.179 189 HG LEU 43 HG LEU 43 2.773 2.396 -2.519 190 HD11 LEU 43 HD11 LEU 43 2.285 4.391 -1.278 191 HD12 LEU 43 HD12 LEU 43 3.955 3.900 -1.000 192 HD13 LEU 43 HD13 LEU 43 2.728 3.594 0.231 193 HD21 LEU 43 HD21 LEU 43 3.395 0.300 -1.420 194 HD22 LEU 43 HD22 LEU 43 3.517 1.159 0.116 195 HD23 LEU 43 HD23 LEU 43 4.615 1.555 -1.206 196 H PHE 44 H PHE 44 2.458 -1.438 -0.929 197 HA PHE 44 HA PHE 44 2.003 -1.280 1.959 198 HB2 PHE 44 HB2 PHE 44 0.769 -3.234 1.425 199 HB3 PHE 44 HB3 PHE 44 1.980 -3.781 0.271 200 HD1 PHE 44 HD1 PHE 44 1.951 -2.793 3.882 201 HD2 PHE 44 HD2 PHE 44 3.132 -5.626 0.936 202 HE1 PHE 44 HE1 PHE 44 3.067 -4.132 5.619 203 HE2 PHE 44 HE2 PHE 44 4.250 -6.965 2.666 204 HZ PHE 44 HZ PHE 44 4.248 -6.209 5.002 205 H VAL 45 H VAL 45 3.850 -0.798 2.906 206 HA VAL 45 HA VAL 45 6.374 -1.655 1.636 207 HB VAL 45 HB VAL 45 6.083 0.720 3.493 208 HG11 VAL 45 HG11 VAL 45 8.285 -0.285 3.511 209 HG12 VAL 45 HG12 VAL 45 8.331 1.292 2.722 210 HG13 VAL 45 HG13 VAL 45 8.367 -0.180 1.754 211 HG21 VAL 45 HG21 VAL 45 6.403 2.140 1.506 212 HG22 VAL 45 HG22 VAL 45 4.895 1.228 1.438 213 HG23 VAL 45 HG23 VAL 45 6.282 0.710 0.482 214 H GLN 46 H GLN 46 7.854 -2.715 3.022 215 HA GLN 46 HA GLN 46 6.640 -3.553 5.541 216 HB2 GLN 46 HB2 GLN 46 8.713 -5.179 5.514 217 HB3 GLN 46 HB3 GLN 46 7.176 -5.587 4.769 218 HG2 GLN 46 HG2 GLN 46 9.188 -4.212 3.104 219 HG3 GLN 46 HG3 GLN 46 9.466 -5.881 3.546 220 HE21 GLN 46 HE21 GLN 46 6.308 -4.617 3.269 221 HE22 GLN 46 HE22 GLN 46 5.862 -5.434 1.834 222 H LEU 47 H LEU 47 7.725 -3.163 7.448 223 HA LEU 47 HA LEU 47 10.140 -1.538 7.250 224 HB2 LEU 47 HB2 LEU 47 7.708 -0.870 8.915 225 HB3 LEU 47 HB3 LEU 47 9.295 -0.218 9.258 226 HG LEU 47 HG LEU 47 7.952 1.414 8.101 227 HD11 LEU 47 HD11 LEU 47 9.432 1.939 6.238 228 HD12 LEU 47 HD12 LEU 47 10.087 0.302 6.290 229 HD13 LEU 47 HD13 LEU 47 10.345 1.398 7.647 230 HD21 LEU 47 HD21 LEU 47 6.383 0.067 6.929 231 HD22 LEU 47 HD22 LEU 47 7.658 -0.666 5.956 232 HD23 LEU 47 HD23 LEU 47 7.262 1.038 5.746 233 HA PRO 48 HA PRO 48 11.572 -4.403 10.290 234 HB2 PRO 48 HB2 PRO 48 13.052 -2.218 11.601 235 HB3 PRO 48 HB3 PRO 48 13.664 -3.674 10.813 236 HG2 PRO 48 HG2 PRO 48 13.953 -1.255 9.697 237 HG3 PRO 48 HG3 PRO 48 13.657 -2.702 8.715 238 HD2 PRO 48 HD2 PRO 48 11.737 -0.558 9.557 239 HD3 PRO 48 HD3 PRO 48 11.903 -1.365 7.982 240 H TYR 49 H TYR 49 9.789 -1.615 11.193 241 HA TYR 49 HA TYR 49 9.292 -2.756 13.832 242 HB2 TYR 49 HB2 TYR 49 9.934 0.172 13.419 243 HB3 TYR 49 HB3 TYR 49 9.430 -0.567 14.934 244 HD1 TYR 49 HD1 TYR 49 10.960 -2.279 16.007 245 HD2 TYR 49 HD2 TYR 49 12.198 0.193 12.773 246 HE1 TYR 49 HE1 TYR 49 13.310 -2.738 16.563 247 HE2 TYR 49 HE2 TYR 49 14.551 -0.261 13.318 248 HH TYR 49 HH TYR 49 15.503 -2.721 15.452 249 H SER 50 H SER 50 7.916 -1.960 11.039 250 HA SER 50 HA SER 50 5.423 -1.307 12.064 251 HB2 SER 50 HB2 SER 50 6.782 1.020 10.672 252 HB3 SER 50 HB3 SER 50 5.083 0.961 11.134 253 HG SER 50 HG SER 50 6.497 0.373 13.288 254 H GLU 51 H GLU 51 4.192 -0.129 9.883 255 HA GLU 51 HA GLU 51 5.095 -1.452 7.477 256 HB2 GLU 51 HB2 GLU 51 2.342 -2.027 8.619 257 HB3 GLU 51 HB3 GLU 51 2.904 -2.520 7.031 258 HG2 GLU 51 HG2 GLU 51 4.282 -4.163 7.884 259 HG3 GLU 51 HG3 GLU 51 4.369 -3.407 9.476 260 H ILE 52 H ILE 52 4.135 -0.543 5.597 261 HA ILE 52 HA ILE 52 2.632 1.947 6.102 262 HB ILE 52 HB ILE 52 4.521 1.332 3.847 263 HG12 ILE 52 HG12 ILE 52 5.715 2.019 5.799 264 HG13 ILE 52 HG13 ILE 52 5.640 3.392 4.712 265 HG21 ILE 52 HG21 ILE 52 2.748 3.732 4.222 266 HG22 ILE 52 HG22 ILE 52 2.610 2.511 2.958 267 HG23 ILE 52 HG23 ILE 52 4.014 3.578 3.004 268 HD11 ILE 52 HD11 ILE 52 3.836 4.351 6.017 269 HD12 ILE 52 HD12 ILE 52 5.271 4.069 7.001 270 HD13 ILE 52 HD13 ILE 52 3.898 2.970 7.110 271 H GLN 53 H GLN 53 0.720 2.203 4.961 272 HA GLN 53 HA GLN 53 0.013 0.294 2.974 273 HB2 GLN 53 HB2 GLN 53 -1.651 0.363 5.501 274 HB3 GLN 53 HB3 GLN 53 -2.087 -0.471 4.018 275 HG2 GLN 53 HG2 GLN 53 -0.107 -1.913 4.278 276 HG3 GLN 53 HG3 GLN 53 0.250 -1.105 5.805 277 HE21 GLN 53 HE21 GLN 53 -1.820 -3.329 4.153 278 HE22 GLN 53 HE22 GLN 53 -2.642 -3.922 5.552 279 H GLU 54 H GLU 54 -1.060 1.383 1.479 280 HA GLU 54 HA GLU 54 -3.118 3.323 2.131 281 HB2 GLU 54 HB2 GLU 54 -1.715 4.815 0.332 282 HB3 GLU 54 HB3 GLU 54 -1.663 5.081 2.058 283 HG2 GLU 54 HG2 GLU 54 0.255 3.130 1.613 284 HG3 GLU 54 HG3 GLU 54 0.414 4.236 0.238 285 H CYS 55 H CYS 55 -4.531 3.694 0.343 286 HA CYS 55 HA CYS 55 -4.182 2.201 -2.029 287 HB2 CYS 55 HB2 CYS 55 -5.855 4.726 -1.819 288 HB3 CYS 55 HB3 CYS 55 -6.155 3.322 -2.820 289 H LYS 56 H LYS 56 -2.991 2.662 -3.760 290 HA LYS 56 HA LYS 56 -2.092 5.380 -4.131 291 HB2 LYS 56 HB2 LYS 56 -0.291 3.189 -3.459 292 HB3 LYS 56 HB3 LYS 56 0.096 3.901 -5.020 293 HG2 LYS 56 HG2 LYS 56 1.323 4.920 -3.126 294 HG3 LYS 56 HG3 LYS 56 0.346 6.075 -4.037 295 HD2 LYS 56 HD2 LYS 56 -1.410 5.923 -2.349 296 HD3 LYS 56 HD3 LYS 56 -0.444 4.767 -1.448 297 HE2 LYS 56 HE2 LYS 56 1.309 6.499 -1.185 298 HE3 LYS 56 HE3 LYS 56 0.262 7.623 -2.017 299 HZ1 LYS 56 HZ1 LYS 56 -0.184 8.113 0.138 300 HZ2 LYS 56 HZ2 LYS 56 0.011 6.523 0.670 301 HZ3 LYS 56 HZ3 LYS 56 -1.399 6.974 -0.165 302 H THR 57 H THR 57 -1.670 5.817 -6.340 303 HA THR 57 HA THR 57 -3.430 4.288 -8.032 304 HB THR 57 HB THR 57 -2.958 5.851 -9.771 305 HG1 THR 57 HG1 THR 57 -1.135 7.494 -8.917 306 HG21 THR 57 HG21 THR 57 -3.353 7.998 -8.733 307 HG22 THR 57 HG22 THR 57 -2.766 7.387 -7.186 308 HG23 THR 57 HG23 THR 57 -4.260 6.749 -7.875 309 H VAL 58 H VAL 58 -2.581 3.109 -10.016 310 HA VAL 58 HA VAL 58 -0.430 1.539 -9.603 311 HB VAL 58 HB VAL 58 -1.484 2.484 -12.287 312 HG11 VAL 58 HG11 VAL 58 -0.349 0.544 -13.271 313 HG12 VAL 58 HG12 VAL 58 0.413 0.209 -11.717 314 HG13 VAL 58 HG13 VAL 58 0.800 1.694 -12.586 315 HG21 VAL 58 HG21 VAL 58 -2.584 0.296 -12.315 316 HG22 VAL 58 HG22 VAL 58 -3.083 1.257 -10.925 317 HG23 VAL 58 HG23 VAL 58 -1.922 -0.054 -10.719 318 H GLN 59 H GLN 59 -0.369 4.767 -11.062 319 HA GLN 59 HA GLN 59 2.352 4.630 -12.008 320 HB2 GLN 59 HB2 GLN 59 0.888 6.257 -13.045 321 HB3 GLN 59 HB3 GLN 59 0.528 6.983 -11.482 322 HG2 GLN 59 HG2 GLN 59 2.982 7.504 -11.272 323 HG3 GLN 59 HG3 GLN 59 3.142 7.024 -12.968 324 HE21 GLN 59 HE21 GLN 59 2.198 9.457 -10.775 325 HE22 GLN 59 HE22 GLN 59 1.717 10.642 -11.948 326 H GLN 60 H GLN 60 0.668 6.210 -9.320 327 HA GLN 60 HA GLN 60 2.961 7.340 -8.171 328 HB2 GLN 60 HB2 GLN 60 0.553 7.974 -7.722 329 HB3 GLN 60 HB3 GLN 60 0.440 6.554 -6.694 330 HG2 GLN 60 HG2 GLN 60 2.154 7.436 -5.233 331 HG3 GLN 60 HG3 GLN 60 2.367 8.831 -6.293 332 HE21 GLN 60 HE21 GLN 60 0.768 10.413 -6.365 333 HE22 GLN 60 HE22 GLN 60 -0.435 10.556 -5.133 334 H CYS 61 H CYS 61 1.624 4.122 -7.937 335 HA CYS 61 HA CYS 61 2.994 3.463 -5.474 336 HB2 CYS 61 HB2 CYS 61 2.094 1.359 -5.695 337 HB3 CYS 61 HB3 CYS 61 0.955 2.243 -6.703 338 H ALA 62 H ALA 62 3.655 3.106 -8.981 339 HA ALA 62 HA ALA 62 6.158 1.932 -8.651 340 HB1 ALA 62 HB1 ALA 62 5.287 3.804 -10.854 341 HB2 ALA 62 HB2 ALA 62 4.998 2.064 -10.809 342 HB3 ALA 62 HB3 ALA 62 6.647 2.682 -10.920 343 H GLU 63 H GLU 63 5.219 5.321 -8.794 344 HA GLU 63 HA GLU 63 7.691 6.577 -8.634 345 HB2 GLU 63 HB2 GLU 63 5.011 7.335 -7.445 346 HB3 GLU 63 HB3 GLU 63 6.363 8.433 -7.570 347 HG2 GLU 63 HG2 GLU 63 6.302 8.248 -10.003 348 HG3 GLU 63 HG3 GLU 63 4.948 7.129 -9.875 349 H VAL 64 H VAL 64 5.488 5.886 -5.952 350 HA VAL 64 HA VAL 64 7.207 6.421 -3.933 351 HB VAL 64 HB VAL 64 5.473 5.508 -2.579 352 HG11 VAL 64 HG11 VAL 64 3.520 6.695 -3.403 353 HG12 VAL 64 HG12 VAL 64 4.293 6.815 -4.989 354 HG13 VAL 64 HG13 VAL 64 4.994 7.644 -3.593 355 HG21 VAL 64 HG21 VAL 64 3.564 4.317 -3.603 356 HG22 VAL 64 HG22 VAL 64 5.085 3.430 -3.495 357 HG23 VAL 64 HG23 VAL 64 4.596 4.146 -5.025 358 H LEU 65 H LEU 65 6.639 3.416 -5.644 359 HA LEU 65 HA LEU 65 7.750 1.613 -3.871 360 HB2 LEU 65 HB2 LEU 65 6.735 1.434 -6.368 361 HB3 LEU 65 HB3 LEU 65 8.440 1.268 -6.734 362 HG LEU 65 HG LEU 65 8.548 -0.643 -5.141 363 HD11 LEU 65 HD11 LEU 65 6.664 -0.033 -3.732 364 HD12 LEU 65 HD12 LEU 65 6.442 -1.650 -4.404 365 HD13 LEU 65 HD13 LEU 65 5.556 -0.282 -5.082 366 HD21 LEU 65 HD21 LEU 65 6.523 -0.894 -7.361 367 HD22 LEU 65 HD22 LEU 65 7.385 -2.228 -6.598 368 HD23 LEU 65 HD23 LEU 65 8.272 -1.026 -7.535 369 H GLU 66 H GLU 66 9.309 3.533 -6.403 370 HA GLU 66 HA GLU 66 11.881 2.478 -5.774 371 HB2 GLU 66 HB2 GLU 66 11.295 3.121 -8.077 372 HB3 GLU 66 HB3 GLU 66 11.143 4.794 -7.560 373 HG2 GLU 66 HG2 GLU 66 13.506 4.857 -7.004 374 HG3 GLU 66 HG3 GLU 66 13.671 3.162 -7.460 375 H GLU 67 H GLU 67 10.081 5.276 -4.750 376 HA GLU 67 HA GLU 67 12.308 6.891 -4.078 377 HB2 GLU 67 HB2 GLU 67 10.729 8.198 -2.803 378 HB3 GLU 67 HB3 GLU 67 10.008 7.745 -4.349 379 HG2 GLU 67 HG2 GLU 67 8.829 5.992 -3.366 380 HG3 GLU 67 HG3 GLU 67 9.605 6.267 -1.819 381 H VAL 68 H VAL 68 10.217 4.752 -2.111 382 HA VAL 68 HA VAL 68 11.965 4.901 0.101 383 HB VAL 68 HB VAL 68 10.595 3.125 1.116 384 HG11 VAL 68 HG11 VAL 68 9.863 5.452 1.232 385 HG12 VAL 68 HG12 VAL 68 8.487 4.350 1.160 386 HG13 VAL 68 HG13 VAL 68 8.972 5.250 -0.277 387 HG21 VAL 68 HG21 VAL 68 9.178 3.051 -1.546 388 HG22 VAL 68 HG22 VAL 68 8.662 2.218 -0.080 389 HG23 VAL 68 HG23 VAL 68 10.176 1.768 -0.864 390 H THR 69 H THR 69 11.595 2.446 -2.441 391 HA THR 69 HA THR 69 13.321 0.627 -1.246 392 HB THR 69 HB THR 69 12.481 0.914 -4.122 393 HG1 THR 69 HG1 THR 69 11.500 -0.285 -1.836 394 HG21 THR 69 HG21 THR 69 14.645 -0.276 -4.029 395 HG22 THR 69 HG22 THR 69 13.323 -1.340 -4.506 396 HG23 THR 69 HG23 THR 69 13.956 -1.405 -2.862 397 H ALA 70 H ALA 70 14.056 3.367 -3.325 398 HA ALA 70 HA ALA 70 16.761 2.818 -3.661 399 HB1 ALA 70 HB1 ALA 70 15.435 5.517 -3.399 400 HB2 ALA 70 HB2 ALA 70 15.606 4.585 -4.885 401 HB3 ALA 70 HB3 ALA 70 17.036 5.219 -4.072 402 H ILE 71 H ILE 71 15.019 3.837 -0.885 403 HA ILE 71 HA ILE 71 17.370 4.683 0.593 404 HB ILE 71 HB ILE 71 14.650 4.119 1.771 405 HG12 ILE 71 HG12 ILE 71 15.545 6.724 0.524 406 HG13 ILE 71 HG13 ILE 71 14.419 5.604 -0.224 407 HG21 ILE 71 HG21 ILE 71 15.325 5.870 3.366 408 HG22 ILE 71 HG22 ILE 71 16.873 6.014 2.531 409 HG23 ILE 71 HG23 ILE 71 16.450 4.511 3.353 410 HD11 ILE 71 HD11 ILE 71 14.001 7.071 2.368 411 HD12 ILE 71 HD12 ILE 71 12.874 5.926 1.642 412 HD13 ILE 71 HD13 ILE 71 13.244 7.441 0.818 413 H GLY 72 H GLY 72 15.876 1.788 -0.235 414 HA2 GLY 72 HA2 GLY 72 16.752 -0.287 0.401 415 HA3 GLY 72 HA3 GLY 72 17.205 0.400 1.954 416 H TYR 73 H TYR 73 14.058 1.281 1.163 417 HA TYR 73 HA TYR 73 13.028 -0.693 3.007 418 HB2 TYR 73 HB2 TYR 73 11.842 1.827 1.848 419 HB3 TYR 73 HB3 TYR 73 10.990 0.765 2.954 420 HD1 TYR 73 HD1 TYR 73 12.549 0.142 5.114 421 HD2 TYR 73 HD2 TYR 73 12.747 3.711 2.804 422 HE1 TYR 73 HE1 TYR 73 13.555 1.317 7.027 423 HE2 TYR 73 HE2 TYR 73 13.757 4.892 4.710 424 HH TYR 73 HH TYR 73 15.009 3.322 7.398 425 HA PRO 74 HA PRO 74 11.396 -3.214 -0.329 426 HB2 PRO 74 HB2 PRO 74 10.122 -4.486 2.031 427 HB3 PRO 74 HB3 PRO 74 11.076 -5.216 0.756 428 HG2 PRO 74 HG2 PRO 74 12.147 -4.926 3.126 429 HG3 PRO 74 HG3 PRO 74 13.094 -4.500 1.681 430 HD2 PRO 74 HD2 PRO 74 11.573 -2.682 3.529 431 HD3 PRO 74 HD3 PRO 74 13.235 -2.537 2.927 432 H ALA 75 H ALA 75 9.728 -2.368 -1.451 433 HA ALA 75 HA ALA 75 7.138 -2.203 -0.059 434 HB1 ALA 75 HB1 ALA 75 6.632 -0.234 -1.386 435 HB2 ALA 75 HB2 ALA 75 8.186 -0.368 -2.208 436 HB3 ALA 75 HB3 ALA 75 8.130 -0.001 -0.484 437 H LYS 76 H LYS 76 5.248 -2.598 -1.284 438 HA LYS 76 HA LYS 76 5.609 -3.514 -4.049 439 HB2 LYS 76 HB2 LYS 76 3.591 -5.125 -3.377 440 HB3 LYS 76 HB3 LYS 76 5.250 -5.638 -3.305 441 HG2 LYS 76 HG2 LYS 76 4.011 -4.417 -0.894 442 HG3 LYS 76 HG3 LYS 76 3.594 -6.072 -1.331 443 HD2 LYS 76 HD2 LYS 76 6.389 -5.033 -0.864 444 HD3 LYS 76 HD3 LYS 76 5.442 -5.978 0.286 445 HE2 LYS 76 HE2 LYS 76 5.290 -7.739 -1.561 446 HE3 LYS 76 HE3 LYS 76 6.575 -6.837 -2.362 447 HZ1 LYS 76 HZ1 LYS 76 7.883 -7.108 -0.267 448 HZ2 LYS 76 HZ2 LYS 76 7.571 -8.555 -1.085 449 HZ3 LYS 76 HZ3 LYS 76 6.677 -8.159 0.297 450 H CYS 77 H CYS 77 3.968 -2.866 -5.435 451 HA CYS 77 HA CYS 77 1.402 -2.376 -4.128 452 HB2 CYS 77 HB2 CYS 77 0.885 -1.088 -6.277 453 HB3 CYS 77 HB3 CYS 77 1.909 -0.313 -5.100 454 H CYS 78 H CYS 78 0.327 -4.255 -4.341 455 HA CYS 78 HA CYS 78 0.133 -5.519 -6.905 456 HB2 CYS 78 HB2 CYS 78 -1.438 -7.021 -5.466 457 HB3 CYS 78 HB3 CYS 78 0.293 -7.014 -5.127 458 H CYS 79 H CYS 79 -2.070 -6.230 -7.746 459 HA CYS 79 HA CYS 79 -3.980 -4.015 -7.444 460 HB2 CYS 79 HB2 CYS 79 -3.758 -5.721 -9.933 461 HB3 CYS 79 HB3 CYS 79 -4.739 -4.284 -9.691 462 HG CYS 79 HG CYS 79 -2.982 -2.497 -10.242 463 H GLU 80 H GLU 80 -5.271 -4.895 -5.956 464 HA GLU 80 HA GLU 80 -7.310 -6.647 -6.621 465 HB2 GLU 80 HB2 GLU 80 -5.553 -8.403 -6.615 466 HB3 GLU 80 HB3 GLU 80 -5.138 -7.970 -4.964 467 HG2 GLU 80 HG2 GLU 80 -6.514 -9.986 -5.082 468 HG3 GLU 80 HG3 GLU 80 -7.309 -8.689 -4.190 469 H ASP 81 H ASP 81 -8.790 -6.868 -4.799 470 HA ASP 81 HA ASP 81 -8.547 -4.627 -2.981 471 HB2 ASP 81 HB2 ASP 81 -10.531 -6.907 -3.076 472 HB3 ASP 81 HB3 ASP 81 -10.519 -5.695 -1.805 473 H LEU 82 H LEU 82 -7.875 -4.670 -0.947 474 HA LEU 82 HA LEU 82 -7.127 -5.395 1.072 475 HB2 LEU 82 HB2 LEU 82 -8.161 -8.120 0.275 476 HB3 LEU 82 HB3 LEU 82 -7.828 -7.567 1.896 477 HG LEU 82 HG LEU 82 -10.040 -7.259 2.001 478 HD11 LEU 82 HD11 LEU 82 -9.474 -4.873 0.287 479 HD12 LEU 82 HD12 LEU 82 -9.314 -4.966 2.040 480 HD13 LEU 82 HD13 LEU 82 -10.904 -5.106 1.291 481 HD21 LEU 82 HD21 LEU 82 -10.078 -7.221 -0.979 482 HD22 LEU 82 HD22 LEU 82 -11.519 -7.022 0.016 483 HD23 LEU 82 HD23 LEU 82 -10.586 -8.515 0.103 484 H CYS 83 H CYS 83 -5.691 -6.124 -1.700 485 HA CYS 83 HA CYS 83 -4.040 -8.267 -1.009 486 HB2 CYS 83 HB2 CYS 83 -2.923 -7.927 -3.059 487 HB3 CYS 83 HB3 CYS 83 -4.551 -7.330 -3.349 488 H ASN 84 H ASN 84 -3.696 -4.872 -0.297 489 HA ASN 84 HA ASN 84 -0.805 -5.029 0.004 490 HB2 ASN 84 HB2 ASN 84 -0.820 -2.692 0.447 491 HB3 ASN 84 HB3 ASN 84 -1.928 -2.963 -0.891 492 HD21 ASN 84 HD21 ASN 84 -1.693 -0.823 1.160 493 HD22 ASN 84 HD22 ASN 84 -3.271 -0.700 1.871 494 H ARG 85 H ARG 85 -2.676 -6.615 1.705 495 HA ARG 85 HA ARG 85 -2.462 -5.293 4.319 496 HB2 ARG 85 HB2 ARG 85 -4.693 -6.108 3.736 497 HB3 ARG 85 HB3 ARG 85 -4.049 -7.718 3.458 498 HG2 ARG 85 HG2 ARG 85 -3.266 -7.094 6.052 499 HG3 ARG 85 HG3 ARG 85 -4.916 -6.478 5.912 500 HD2 ARG 85 HD2 ARG 85 -3.962 -9.282 5.345 501 HD3 ARG 85 HD3 ARG 85 -4.999 -8.759 6.672 502 HE ARG 85 HE ARG 85 -6.661 -8.174 4.905 503 HH11 ARG 85 HH11 ARG 85 -4.192 -10.587 4.308 504 HH12 ARG 85 HH12 ARG 85 -5.119 -11.418 3.097 505 HH21 ARG 85 HH21 ARG 85 -7.885 -9.264 3.298 506 HH22 ARG 85 HH22 ARG 85 -7.223 -10.664 2.524 507 H SER 86 H SER 86 -1.641 -8.294 2.610 508 HA SER 86 HA SER 86 0.447 -8.869 4.411 509 HB2 SER 86 HB2 SER 86 -0.472 -11.051 5.259 510 HB3 SER 86 HB3 SER 86 -1.299 -9.632 5.906 511 HG SER 86 HG SER 86 -2.179 -11.214 3.710 512 H GLU 87 H GLU 87 1.897 -9.532 2.924 513 HA GLU 87 HA GLU 87 1.079 -11.042 0.655 514 HB2 GLU 87 HB2 GLU 87 3.487 -11.002 0.066 515 HB3 GLU 87 HB3 GLU 87 2.841 -9.408 0.428 516 HG2 GLU 87 HG2 GLU 87 3.807 -9.578 2.696 517 HG3 GLU 87 HG3 GLU 87 4.536 -11.117 2.233 518 H GLN 88 H GLN 88 2.087 -11.868 3.790 519 HA GLN 88 HA GLN 88 2.948 -14.549 2.952 520 HB2 GLN 88 HB2 GLN 88 3.238 -13.225 5.657 521 HB3 GLN 88 HB3 GLN 88 3.801 -14.837 5.236 522 HG2 GLN 88 HG2 GLN 88 5.334 -13.851 3.590 523 HG3 GLN 88 HG3 GLN 88 4.796 -12.244 4.076 524 HE21 GLN 88 HE21 GLN 88 6.638 -15.040 4.965 525 HE22 GLN 88 HE22 GLN 88 7.444 -14.331 6.317 Start of MODEL 13 1 H MET 18 H MET 18 -11.527 2.947 -12.423 2 HA MET 18 HA MET 18 -12.981 1.866 -10.702 3 HB2 MET 18 HB2 MET 18 -11.646 0.569 -12.271 4 HB3 MET 18 HB3 MET 18 -10.216 0.780 -11.271 5 HG2 MET 18 HG2 MET 18 -11.266 -0.514 -9.488 6 HG3 MET 18 HG3 MET 18 -12.707 -0.719 -10.483 7 HE1 MET 18 HE1 MET 18 -11.059 -4.301 -10.441 8 HE2 MET 18 HE2 MET 18 -12.504 -3.366 -10.060 9 HE3 MET 18 HE3 MET 18 -11.028 -3.128 -9.125 10 H ALA 19 H ALA 19 -13.297 2.718 -8.656 11 HA ALA 19 HA ALA 19 -11.412 3.036 -6.728 12 HB1 ALA 19 HB1 ALA 19 -13.202 2.944 -5.101 13 HB2 ALA 19 HB2 ALA 19 -14.237 2.093 -6.249 14 HB3 ALA 19 HB3 ALA 19 -13.762 3.762 -6.561 15 H LEU 20 H LEU 20 -10.202 1.763 -5.458 16 HA LEU 20 HA LEU 20 -10.765 -1.125 -5.500 17 HB2 LEU 20 HB2 LEU 20 -8.684 -0.483 -6.736 18 HB3 LEU 20 HB3 LEU 20 -8.050 0.180 -5.243 19 HG LEU 20 HG LEU 20 -8.143 -2.082 -4.229 20 HD11 LEU 20 HD11 LEU 20 -8.909 -2.949 -7.014 21 HD12 LEU 20 HD12 LEU 20 -9.938 -3.018 -5.582 22 HD13 LEU 20 HD13 LEU 20 -8.491 -4.021 -5.677 23 HD21 LEU 20 HD21 LEU 20 -6.265 -3.021 -5.508 24 HD22 LEU 20 HD22 LEU 20 -6.073 -1.292 -5.219 25 HD23 LEU 20 HD23 LEU 20 -6.586 -1.869 -6.804 26 H LYS 21 H LYS 21 -10.565 -2.187 -3.421 27 HA LYS 21 HA LYS 21 -10.169 -0.377 -1.208 28 HB2 LYS 21 HB2 LYS 21 -11.263 -3.186 -1.392 29 HB3 LYS 21 HB3 LYS 21 -11.212 -2.225 0.083 30 HG2 LYS 21 HG2 LYS 21 -12.698 -0.593 -0.893 31 HG3 LYS 21 HG3 LYS 21 -12.688 -1.468 -2.426 32 HD2 LYS 21 HD2 LYS 21 -13.462 -2.908 0.044 33 HD3 LYS 21 HD3 LYS 21 -14.620 -1.798 -0.681 34 HE2 LYS 21 HE2 LYS 21 -15.052 -3.992 -1.517 35 HE3 LYS 21 HE3 LYS 21 -14.358 -3.034 -2.820 36 HZ1 LYS 21 HZ1 LYS 21 -12.250 -4.105 -2.502 37 HZ2 LYS 21 HZ2 LYS 21 -13.442 -5.295 -2.679 38 HZ3 LYS 21 HZ3 LYS 21 -12.828 -4.941 -1.146 39 H CYS 22 H CYS 22 -8.228 -0.267 -0.273 40 HA CYS 22 HA CYS 22 -6.611 -2.716 -0.140 41 HB2 CYS 22 HB2 CYS 22 -5.435 0.074 -0.141 42 HB3 CYS 22 HB3 CYS 22 -4.570 -1.455 -0.234 43 H PHE 23 H PHE 23 -5.261 -2.764 1.887 44 HA PHE 23 HA PHE 23 -6.902 -1.916 4.139 45 HB2 PHE 23 HB2 PHE 23 -4.393 -3.555 3.882 46 HB3 PHE 23 HB3 PHE 23 -4.879 -2.897 5.438 47 HD1 PHE 23 HD1 PHE 23 -7.754 -3.243 5.446 48 HD2 PHE 23 HD2 PHE 23 -4.709 -5.823 3.976 49 HE1 PHE 23 HE1 PHE 23 -9.215 -5.182 5.835 50 HE2 PHE 23 HE2 PHE 23 -6.166 -7.767 4.354 51 HZ PHE 23 HZ PHE 23 -8.424 -7.449 5.286 52 H THR 24 H THR 24 -6.553 -0.073 5.233 53 HA THR 24 HA THR 24 -3.936 1.244 4.908 54 HB THR 24 HB THR 24 -6.615 2.624 5.191 55 HG1 THR 24 HG1 THR 24 -6.817 2.151 3.143 56 HG21 THR 24 HG21 THR 24 -3.897 3.693 4.412 57 HG22 THR 24 HG22 THR 24 -4.686 3.932 5.970 58 HG23 THR 24 HG23 THR 24 -5.390 4.626 4.509 59 H ARG 25 H ARG 25 -2.980 2.040 6.754 60 HA ARG 25 HA ARG 25 -4.299 1.318 9.272 61 HB2 ARG 25 HB2 ARG 25 -1.490 1.546 8.458 62 HB3 ARG 25 HB3 ARG 25 -1.842 2.387 9.962 63 HG2 ARG 25 HG2 ARG 25 -2.991 0.190 10.666 64 HG3 ARG 25 HG3 ARG 25 -2.091 -0.527 9.331 65 HD2 ARG 25 HD2 ARG 25 -0.051 -0.189 10.347 66 HD3 ARG 25 HD3 ARG 25 -0.639 1.162 11.316 67 HE ARG 25 HE ARG 25 -1.316 -1.663 11.861 68 HH11 ARG 25 HH11 ARG 25 -0.440 1.539 12.974 69 HH12 ARG 25 HH12 ARG 25 -0.756 1.190 14.649 70 HH21 ARG 25 HH21 ARG 25 -1.727 -2.128 14.079 71 HH22 ARG 25 HH22 ARG 25 -1.473 -0.879 15.269 72 H ASN 26 H ASN 26 -5.496 2.852 10.136 73 HA ASN 26 HA ASN 26 -4.595 5.594 10.063 74 HB2 ASN 26 HB2 ASN 26 -6.710 6.543 9.337 75 HB3 ASN 26 HB3 ASN 26 -6.109 5.455 8.092 76 HD21 ASN 26 HD21 ASN 26 -7.147 3.463 7.778 77 HD22 ASN 26 HD22 ASN 26 -8.760 3.198 8.333 78 H GLY 27 H GLY 27 -5.131 6.651 11.928 79 HA2 GLY 27 HA2 GLY 27 -6.024 6.899 14.098 80 HA3 GLY 27 HA3 GLY 27 -7.002 5.454 13.834 81 H ASP 28 H ASP 28 -5.729 3.435 13.484 82 HA ASP 28 HA ASP 28 -3.037 3.455 14.406 83 HB2 ASP 28 HB2 ASP 28 -4.026 3.035 16.576 84 HB3 ASP 28 HB3 ASP 28 -5.027 1.744 15.911 85 H ASP 29 H ASP 29 -4.986 0.543 14.452 86 HA ASP 29 HA ASP 29 -3.350 -0.507 12.417 87 HB2 ASP 29 HB2 ASP 29 -4.412 -1.691 14.502 88 HB3 ASP 29 HB3 ASP 29 -5.735 -2.031 13.388 89 H ARG 30 H ARG 30 -4.843 -2.300 11.009 90 HA ARG 30 HA ARG 30 -5.469 -0.492 8.809 91 HB2 ARG 30 HB2 ARG 30 -5.132 -3.488 8.954 92 HB3 ARG 30 HB3 ARG 30 -5.456 -2.586 7.483 93 HG2 ARG 30 HG2 ARG 30 -3.326 -1.989 7.249 94 HG3 ARG 30 HG3 ARG 30 -3.145 -1.610 8.964 95 HD2 ARG 30 HD2 ARG 30 -3.309 -4.446 8.020 96 HD3 ARG 30 HD3 ARG 30 -1.786 -3.564 7.964 97 HE ARG 30 HE ARG 30 -3.263 -3.751 10.509 98 HH11 ARG 30 HH11 ARG 30 -0.521 -4.627 8.519 99 HH12 ARG 30 HH12 ARG 30 0.488 -5.083 9.858 100 HH21 ARG 30 HH21 ARG 30 -1.959 -4.342 12.298 101 HH22 ARG 30 HH22 ARG 30 -0.345 -4.936 12.014 102 H THR 31 H THR 31 -7.511 -0.139 8.138 103 HA THR 31 HA THR 31 -9.493 -2.243 8.674 104 HB THR 31 HB THR 31 -9.986 -0.173 9.941 105 HG1 THR 31 HG1 THR 31 -12.117 -0.195 9.413 106 HG21 THR 31 HG21 THR 31 -10.231 1.108 7.217 107 HG22 THR 31 HG22 THR 31 -8.990 1.460 8.420 108 HG23 THR 31 HG23 THR 31 -10.677 1.856 8.751 109 H VAL 32 H VAL 32 -11.382 -2.023 6.972 110 HA VAL 32 HA VAL 32 -10.043 -2.374 4.398 111 HB VAL 32 HB VAL 32 -12.960 -2.790 5.100 112 HG11 VAL 32 HG11 VAL 32 -11.389 -3.594 2.649 113 HG12 VAL 32 HG12 VAL 32 -12.604 -2.321 2.730 114 HG13 VAL 32 HG13 VAL 32 -13.074 -4.002 2.970 115 HG21 VAL 32 HG21 VAL 32 -12.452 -5.182 5.064 116 HG22 VAL 32 HG22 VAL 32 -11.527 -4.348 6.313 117 HG23 VAL 32 HG23 VAL 32 -10.746 -4.818 4.803 118 H THR 33 H THR 33 -9.596 -0.376 3.603 119 HA THR 33 HA THR 33 -11.830 1.499 3.431 120 HB THR 33 HB THR 33 -10.045 3.173 2.871 121 HG1 THR 33 HG1 THR 33 -8.549 1.073 2.579 122 HG21 THR 33 HG21 THR 33 -10.969 3.033 5.119 123 HG22 THR 33 HG22 THR 33 -9.242 3.378 5.196 124 HG23 THR 33 HG23 THR 33 -9.831 1.751 5.531 125 H THR 34 H THR 34 -12.223 2.656 1.547 126 HA THR 34 HA THR 34 -11.391 1.266 -0.899 127 HB THR 34 HB THR 34 -13.779 1.044 -0.603 128 HG1 THR 34 HG1 THR 34 -12.927 2.883 -2.578 129 HG21 THR 34 HG21 THR 34 -15.271 2.896 -0.275 130 HG22 THR 34 HG22 THR 34 -13.945 4.048 -0.431 131 HG23 THR 34 HG23 THR 34 -14.012 2.968 0.963 132 H CYS 35 H CYS 35 -10.299 2.475 -2.365 133 HA CYS 35 HA CYS 35 -9.815 5.277 -1.636 134 HB2 CYS 35 HB2 CYS 35 -7.911 5.059 -3.323 135 HB3 CYS 35 HB3 CYS 35 -7.737 4.181 -1.824 136 H ALA 36 H ALA 36 -9.220 6.370 -4.122 137 HA ALA 36 HA ALA 36 -12.006 6.531 -5.006 138 HB1 ALA 36 HB1 ALA 36 -9.750 8.474 -5.461 139 HB2 ALA 36 HB2 ALA 36 -11.021 8.631 -4.249 140 HB3 ALA 36 HB3 ALA 36 -11.426 8.688 -5.964 141 H GLU 37 H GLU 37 -11.642 7.597 -7.524 142 HA GLU 37 HA GLU 37 -11.562 5.116 -8.933 143 HB2 GLU 37 HB2 GLU 37 -12.120 7.960 -9.637 144 HB3 GLU 37 HB3 GLU 37 -11.788 6.815 -10.929 145 HG2 GLU 37 HG2 GLU 37 -13.939 6.506 -8.846 146 HG3 GLU 37 HG3 GLU 37 -14.186 7.077 -10.499 147 H GLU 38 H GLU 38 -9.347 7.804 -8.526 148 HA GLU 38 HA GLU 38 -7.690 7.068 -10.730 149 HB2 GLU 38 HB2 GLU 38 -6.323 8.873 -10.156 150 HB3 GLU 38 HB3 GLU 38 -7.961 9.386 -9.775 151 HG2 GLU 38 HG2 GLU 38 -6.132 8.192 -7.767 152 HG3 GLU 38 HG3 GLU 38 -6.164 9.920 -8.094 153 H GLN 39 H GLN 39 -7.999 5.867 -7.585 154 HA GLN 39 HA GLN 39 -5.180 5.057 -7.486 155 HB2 GLN 39 HB2 GLN 39 -7.224 4.935 -5.253 156 HB3 GLN 39 HB3 GLN 39 -5.515 4.529 -5.135 157 HG2 GLN 39 HG2 GLN 39 -4.925 6.837 -5.648 158 HG3 GLN 39 HG3 GLN 39 -6.634 7.248 -5.763 159 HE21 GLN 39 HE21 GLN 39 -6.650 8.698 -4.142 160 HE22 GLN 39 HE22 GLN 39 -6.382 8.286 -2.475 161 H THR 40 H THR 40 -5.013 3.260 -8.639 162 HA THR 40 HA THR 40 -7.018 1.160 -8.251 163 HB THR 40 HB THR 40 -5.450 0.685 -10.571 164 HG1 THR 40 HG1 THR 40 -6.433 3.361 -10.352 165 HG21 THR 40 HG21 THR 40 -7.785 0.031 -10.283 166 HG22 THR 40 HG22 THR 40 -7.599 1.036 -11.721 167 HG23 THR 40 HG23 THR 40 -8.269 1.727 -10.242 168 H ARG 41 H ARG 41 -4.228 1.718 -6.909 169 HA ARG 41 HA ARG 41 -3.472 -1.057 -6.973 170 HB2 ARG 41 HB2 ARG 41 -1.232 0.986 -7.076 171 HB3 ARG 41 HB3 ARG 41 -1.105 -0.757 -7.024 172 HG2 ARG 41 HG2 ARG 41 -2.379 0.687 -9.296 173 HG3 ARG 41 HG3 ARG 41 -0.665 0.316 -9.230 174 HD2 ARG 41 HD2 ARG 41 -2.784 -1.791 -8.923 175 HD3 ARG 41 HD3 ARG 41 -2.106 -1.350 -10.489 176 HE ARG 41 HE ARG 41 -0.267 -2.117 -8.353 177 HH11 ARG 41 HH11 ARG 41 -1.851 -2.918 -11.360 178 HH12 ARG 41 HH12 ARG 41 -0.744 -4.189 -11.758 179 HH21 ARG 41 HH21 ARG 41 1.208 -3.783 -8.855 180 HH22 ARG 41 HH22 ARG 41 1.009 -4.682 -10.327 181 H CYS 42 H CYS 42 -1.370 -0.872 -5.216 182 HA CYS 42 HA CYS 42 -2.605 0.325 -2.909 183 HB2 CYS 42 HB2 CYS 42 -1.886 -2.617 -2.774 184 HB3 CYS 42 HB3 CYS 42 -2.534 -1.625 -1.476 185 H LEU 43 H LEU 43 -1.090 0.701 -1.254 186 HA LEU 43 HA LEU 43 1.702 0.315 -2.108 187 HB2 LEU 43 HB2 LEU 43 0.638 2.651 -1.747 188 HB3 LEU 43 HB3 LEU 43 0.764 2.280 -0.039 189 HG LEU 43 HG LEU 43 2.703 3.444 -1.709 190 HD11 LEU 43 HD11 LEU 43 2.912 2.416 1.101 191 HD12 LEU 43 HD12 LEU 43 2.283 3.988 0.602 192 HD13 LEU 43 HD13 LEU 43 3.982 3.594 0.342 193 HD21 LEU 43 HD21 LEU 43 3.628 0.755 -0.714 194 HD22 LEU 43 HD22 LEU 43 4.641 2.008 -1.430 195 HD23 LEU 43 HD23 LEU 43 3.408 1.208 -2.404 196 H PHE 44 H PHE 44 2.677 -1.280 -1.052 197 HA PHE 44 HA PHE 44 2.277 -1.448 1.859 198 HB2 PHE 44 HB2 PHE 44 1.323 -3.408 0.756 199 HB3 PHE 44 HB3 PHE 44 2.828 -3.671 -0.125 200 HD1 PHE 44 HD1 PHE 44 1.746 -3.200 3.427 201 HD2 PHE 44 HD2 PHE 44 4.170 -5.301 0.643 202 HE1 PHE 44 HE1 PHE 44 2.645 -4.582 5.254 203 HE2 PHE 44 HE2 PHE 44 5.072 -6.673 2.460 204 HZ PHE 44 HZ PHE 44 4.330 -6.319 4.760 205 H VAL 45 H VAL 45 4.084 -1.043 2.999 206 HA VAL 45 HA VAL 45 6.669 -1.436 1.644 207 HB VAL 45 HB VAL 45 6.103 0.751 3.661 208 HG11 VAL 45 HG11 VAL 45 8.386 -0.036 3.769 209 HG12 VAL 45 HG12 VAL 45 8.344 1.565 3.029 210 HG13 VAL 45 HG13 VAL 45 8.558 0.132 2.022 211 HG21 VAL 45 HG21 VAL 45 6.525 0.994 0.680 212 HG22 VAL 45 HG22 VAL 45 6.342 2.331 1.813 213 HG23 VAL 45 HG23 VAL 45 4.996 1.230 1.524 214 H GLN 46 H GLN 46 8.179 -2.593 2.862 215 HA GLN 46 HA GLN 46 7.086 -3.939 5.224 216 HB2 GLN 46 HB2 GLN 46 9.919 -4.344 4.469 217 HB3 GLN 46 HB3 GLN 46 8.755 -5.492 5.084 218 HG2 GLN 46 HG2 GLN 46 8.810 -4.493 2.247 219 HG3 GLN 46 HG3 GLN 46 9.607 -5.930 2.841 220 HE21 GLN 46 HE21 GLN 46 7.519 -6.714 4.642 221 HE22 GLN 46 HE22 GLN 46 6.240 -7.336 3.649 222 H LEU 47 H LEU 47 8.025 -3.752 7.225 223 HA LEU 47 HA LEU 47 10.198 -1.920 7.628 224 HB2 LEU 47 HB2 LEU 47 7.515 -1.425 8.916 225 HB3 LEU 47 HB3 LEU 47 9.005 -0.885 9.653 226 HG LEU 47 HG LEU 47 8.197 1.006 8.606 227 HD11 LEU 47 HD11 LEU 47 9.678 1.492 6.733 228 HD12 LEU 47 HD12 LEU 47 10.060 -0.223 6.589 229 HD13 LEU 47 HD13 LEU 47 10.525 0.665 8.040 230 HD21 LEU 47 HD21 LEU 47 6.374 0.035 7.408 231 HD22 LEU 47 HD22 LEU 47 7.479 -0.691 6.234 232 HD23 LEU 47 HD23 LEU 47 7.308 1.064 6.316 233 HA PRO 48 HA PRO 48 10.702 -4.918 10.939 234 HB2 PRO 48 HB2 PRO 48 12.722 -3.790 12.296 235 HB3 PRO 48 HB3 PRO 48 12.963 -4.492 10.693 236 HG2 PRO 48 HG2 PRO 48 12.752 -1.638 11.499 237 HG3 PRO 48 HG3 PRO 48 13.728 -2.379 10.221 238 HD2 PRO 48 HD2 PRO 48 11.284 -1.054 9.874 239 HD3 PRO 48 HD3 PRO 48 12.080 -2.105 8.687 240 H TYR 49 H TYR 49 8.910 -2.380 11.186 241 HA TYR 49 HA TYR 49 8.728 -2.391 14.083 242 HB2 TYR 49 HB2 TYR 49 8.559 0.199 12.522 243 HB3 TYR 49 HB3 TYR 49 8.411 0.003 14.264 244 HD1 TYR 49 HD1 TYR 49 10.508 -1.009 15.471 245 HD2 TYR 49 HD2 TYR 49 10.604 0.791 11.617 246 HE1 TYR 49 HE1 TYR 49 12.926 -0.629 15.714 247 HE2 TYR 49 HE2 TYR 49 13.022 1.174 11.848 248 HH TYR 49 HH TYR 49 14.684 1.405 13.660 249 H SER 50 H SER 50 7.250 -0.830 11.239 250 HA SER 50 HA SER 50 4.833 -2.312 11.563 251 HB2 SER 50 HB2 SER 50 4.507 -0.423 13.164 252 HB3 SER 50 HB3 SER 50 4.645 0.696 11.822 253 HG SER 50 HG SER 50 2.837 -1.325 11.394 254 H GLU 51 H GLU 51 3.714 -2.374 9.652 255 HA GLU 51 HA GLU 51 5.402 -1.640 7.392 256 HB2 GLU 51 HB2 GLU 51 3.888 -3.078 6.090 257 HB3 GLU 51 HB3 GLU 51 4.573 -3.926 7.468 258 HG2 GLU 51 HG2 GLU 51 1.868 -2.651 7.609 259 HG3 GLU 51 HG3 GLU 51 2.090 -4.258 6.930 260 H ILE 52 H ILE 52 4.526 -0.578 5.546 261 HA ILE 52 HA ILE 52 2.613 1.515 6.303 262 HB ILE 52 HB ILE 52 4.440 1.363 3.918 263 HG12 ILE 52 HG12 ILE 52 5.685 1.853 5.916 264 HG13 ILE 52 HG13 ILE 52 5.488 3.332 4.999 265 HG21 ILE 52 HG21 ILE 52 2.349 2.489 3.364 266 HG22 ILE 52 HG22 ILE 52 3.684 3.641 3.426 267 HG23 ILE 52 HG23 ILE 52 2.537 3.546 4.762 268 HD11 ILE 52 HD11 ILE 52 3.900 2.553 7.415 269 HD12 ILE 52 HD12 ILE 52 3.703 4.039 6.487 270 HD13 ILE 52 HD13 ILE 52 5.205 3.738 7.360 271 H GLN 53 H GLN 53 0.687 1.743 5.131 272 HA GLN 53 HA GLN 53 0.092 -0.067 3.047 273 HB2 GLN 53 HB2 GLN 53 -1.489 -0.406 5.605 274 HB3 GLN 53 HB3 GLN 53 -1.832 -1.188 4.071 275 HG2 GLN 53 HG2 GLN 53 0.414 -2.292 4.246 276 HG3 GLN 53 HG3 GLN 53 0.521 -1.649 5.883 277 HE21 GLN 53 HE21 GLN 53 -2.441 -2.725 4.396 278 HE22 GLN 53 HE22 GLN 53 -2.664 -4.119 5.388 279 H GLU 54 H GLU 54 -1.121 1.064 1.703 280 HA GLU 54 HA GLU 54 -3.502 2.473 2.445 281 HB2 GLU 54 HB2 GLU 54 -2.586 4.705 1.641 282 HB3 GLU 54 HB3 GLU 54 -2.028 4.180 3.215 283 HG2 GLU 54 HG2 GLU 54 0.041 3.327 2.108 284 HG3 GLU 54 HG3 GLU 54 -0.511 4.104 0.624 285 H CYS 55 H CYS 55 -4.105 3.916 0.312 286 HA CYS 55 HA CYS 55 -3.748 2.000 -1.897 287 HB2 CYS 55 HB2 CYS 55 -6.167 2.670 -1.207 288 HB3 CYS 55 HB3 CYS 55 -5.780 4.230 -1.926 289 H LYS 56 H LYS 56 -3.287 2.919 -3.991 290 HA LYS 56 HA LYS 56 -2.377 5.644 -4.062 291 HB2 LYS 56 HB2 LYS 56 -0.412 3.409 -4.669 292 HB3 LYS 56 HB3 LYS 56 -0.137 5.111 -4.992 293 HG2 LYS 56 HG2 LYS 56 -0.595 3.978 -2.253 294 HG3 LYS 56 HG3 LYS 56 0.995 4.245 -2.969 295 HD2 LYS 56 HD2 LYS 56 0.770 6.555 -2.913 296 HD3 LYS 56 HD3 LYS 56 -0.993 6.478 -2.819 297 HE2 LYS 56 HE2 LYS 56 -0.845 5.578 -0.570 298 HE3 LYS 56 HE3 LYS 56 0.911 5.609 -0.650 299 HZ1 LYS 56 HZ1 LYS 56 -0.082 7.475 0.581 300 HZ2 LYS 56 HZ2 LYS 56 -0.808 8.014 -0.857 301 HZ3 LYS 56 HZ3 LYS 56 0.878 7.978 -0.726 302 H THR 57 H THR 57 -1.714 6.167 -6.382 303 HA THR 57 HA THR 57 -3.593 4.892 -8.198 304 HB THR 57 HB THR 57 -2.945 6.534 -9.817 305 HG1 THR 57 HG1 THR 57 -1.205 8.112 -8.842 306 HG21 THR 57 HG21 THR 57 -4.440 7.376 -8.082 307 HG22 THR 57 HG22 THR 57 -3.354 8.650 -8.636 308 HG23 THR 57 HG23 THR 57 -3.053 7.841 -7.099 309 H VAL 58 H VAL 58 -2.771 3.804 -10.154 310 HA VAL 58 HA VAL 58 -0.756 2.014 -9.688 311 HB VAL 58 HB VAL 58 -1.369 3.083 -12.475 312 HG11 VAL 58 HG11 VAL 58 0.534 1.564 -12.342 313 HG12 VAL 58 HG12 VAL 58 -0.812 0.828 -13.212 314 HG13 VAL 58 HG13 VAL 58 -0.477 0.358 -11.544 315 HG21 VAL 58 HG21 VAL 58 -3.463 2.568 -11.282 316 HG22 VAL 58 HG22 VAL 58 -2.872 0.932 -10.991 317 HG23 VAL 58 HG23 VAL 58 -3.169 1.481 -12.639 318 H GLN 59 H GLN 59 -0.537 5.221 -11.159 319 HA GLN 59 HA GLN 59 2.164 5.125 -12.027 320 HB2 GLN 59 HB2 GLN 59 0.807 6.861 -12.917 321 HB3 GLN 59 HB3 GLN 59 0.283 7.374 -11.319 322 HG2 GLN 59 HG2 GLN 59 1.814 8.999 -12.096 323 HG3 GLN 59 HG3 GLN 59 2.652 8.055 -10.856 324 HE21 GLN 59 HE21 GLN 59 4.654 8.707 -11.700 325 HE22 GLN 59 HE22 GLN 59 5.283 8.004 -13.155 326 H GLN 60 H GLN 60 0.646 6.601 -9.179 327 HA GLN 60 HA GLN 60 3.107 7.383 -8.054 328 HB2 GLN 60 HB2 GLN 60 0.931 8.478 -7.572 329 HB3 GLN 60 HB3 GLN 60 0.436 7.055 -6.665 330 HG2 GLN 60 HG2 GLN 60 2.145 7.419 -5.034 331 HG3 GLN 60 HG3 GLN 60 2.848 8.721 -5.992 332 HE21 GLN 60 HE21 GLN 60 1.814 10.701 -6.084 333 HE22 GLN 60 HE22 GLN 60 0.602 11.158 -4.939 334 H CYS 61 H CYS 61 1.279 4.423 -7.829 335 HA CYS 61 HA CYS 61 2.470 3.503 -5.363 336 HB2 CYS 61 HB2 CYS 61 1.325 1.473 -5.788 337 HB3 CYS 61 HB3 CYS 61 0.314 2.642 -6.615 338 H ALA 62 H ALA 62 3.223 3.134 -8.849 339 HA ALA 62 HA ALA 62 5.546 1.645 -8.465 340 HB1 ALA 62 HB1 ALA 62 4.961 3.657 -10.640 341 HB2 ALA 62 HB2 ALA 62 4.501 1.954 -10.655 342 HB3 ALA 62 HB3 ALA 62 6.205 2.408 -10.698 343 H GLU 63 H GLU 63 5.096 5.142 -8.724 344 HA GLU 63 HA GLU 63 7.665 6.047 -8.426 345 HB2 GLU 63 HB2 GLU 63 5.104 7.215 -7.322 346 HB3 GLU 63 HB3 GLU 63 6.604 8.099 -7.487 347 HG2 GLU 63 HG2 GLU 63 6.535 7.808 -9.897 348 HG3 GLU 63 HG3 GLU 63 5.045 6.878 -9.742 349 H VAL 64 H VAL 64 5.322 5.707 -5.773 350 HA VAL 64 HA VAL 64 7.013 6.110 -3.718 351 HB VAL 64 HB VAL 64 5.190 5.199 -2.412 352 HG11 VAL 64 HG11 VAL 64 4.173 6.744 -4.754 353 HG12 VAL 64 HG12 VAL 64 4.943 7.439 -3.323 354 HG13 VAL 64 HG13 VAL 64 3.388 6.619 -3.175 355 HG21 VAL 64 HG21 VAL 64 4.151 4.185 -4.971 356 HG22 VAL 64 HG22 VAL 64 3.259 4.184 -3.446 357 HG23 VAL 64 HG23 VAL 64 4.732 3.225 -3.614 358 H LEU 65 H LEU 65 6.439 3.199 -5.520 359 HA LEU 65 HA LEU 65 7.504 1.340 -3.629 360 HB2 LEU 65 HB2 LEU 65 6.169 0.397 -5.313 361 HB3 LEU 65 HB3 LEU 65 6.961 1.305 -6.580 362 HG LEU 65 HG LEU 65 8.862 -0.146 -6.548 363 HD11 LEU 65 HD11 LEU 65 7.617 -1.465 -4.145 364 HD12 LEU 65 HD12 LEU 65 9.094 -0.501 -4.167 365 HD13 LEU 65 HD13 LEU 65 9.038 -2.047 -5.012 366 HD21 LEU 65 HD21 LEU 65 7.849 -2.248 -7.165 367 HD22 LEU 65 HD22 LEU 65 6.833 -0.920 -7.732 368 HD23 LEU 65 HD23 LEU 65 6.375 -1.831 -6.288 369 H GLU 66 H GLU 66 8.808 3.015 -6.485 370 HA GLU 66 HA GLU 66 11.397 2.039 -6.027 371 HB2 GLU 66 HB2 GLU 66 10.513 4.353 -7.738 372 HB3 GLU 66 HB3 GLU 66 12.097 3.592 -7.808 373 HG2 GLU 66 HG2 GLU 66 11.064 1.490 -8.495 374 HG3 GLU 66 HG3 GLU 66 9.474 2.246 -8.416 375 H GLU 67 H GLU 67 9.784 4.801 -4.742 376 HA GLU 67 HA GLU 67 12.101 6.413 -4.367 377 HB2 GLU 67 HB2 GLU 67 10.669 7.805 -3.010 378 HB3 GLU 67 HB3 GLU 67 9.808 7.329 -4.475 379 HG2 GLU 67 HG2 GLU 67 8.677 5.628 -3.336 380 HG3 GLU 67 HG3 GLU 67 9.573 5.954 -1.863 381 H VAL 68 H VAL 68 10.117 4.385 -2.179 382 HA VAL 68 HA VAL 68 12.038 4.520 -0.136 383 HB VAL 68 HB VAL 68 10.776 2.687 0.961 384 HG11 VAL 68 HG11 VAL 68 9.070 4.890 -0.193 385 HG12 VAL 68 HG12 VAL 68 10.079 5.001 1.251 386 HG13 VAL 68 HG13 VAL 68 8.681 3.925 1.231 387 HG21 VAL 68 HG21 VAL 68 10.159 1.402 -1.005 388 HG22 VAL 68 HG22 VAL 68 9.131 2.721 -1.567 389 HG23 VAL 68 HG23 VAL 68 8.724 1.853 -0.086 390 H THR 69 H THR 69 11.522 2.099 -2.667 391 HA THR 69 HA THR 69 13.298 0.216 -1.712 392 HB THR 69 HB THR 69 12.603 0.829 -4.588 393 HG1 THR 69 HG1 THR 69 10.774 0.171 -3.605 394 HG21 THR 69 HG21 THR 69 14.657 -0.488 -4.501 395 HG22 THR 69 HG22 THR 69 13.313 -1.484 -5.062 396 HG23 THR 69 HG23 THR 69 13.892 -1.635 -3.402 397 H ALA 70 H ALA 70 13.942 3.095 -3.645 398 HA ALA 70 HA ALA 70 16.654 2.662 -4.083 399 HB1 ALA 70 HB1 ALA 70 16.823 5.061 -4.456 400 HB2 ALA 70 HB2 ALA 70 15.267 5.308 -3.663 401 HB3 ALA 70 HB3 ALA 70 15.350 4.424 -5.186 402 H ILE 71 H ILE 71 14.996 3.431 -1.195 403 HA ILE 71 HA ILE 71 17.358 4.507 0.155 404 HB ILE 71 HB ILE 71 14.692 3.892 1.427 405 HG12 ILE 71 HG12 ILE 71 15.545 6.495 0.137 406 HG13 ILE 71 HG13 ILE 71 14.345 5.389 -0.517 407 HG21 ILE 71 HG21 ILE 71 16.562 4.276 2.942 408 HG22 ILE 71 HG22 ILE 71 15.397 5.597 3.039 409 HG23 ILE 71 HG23 ILE 71 16.903 5.814 2.147 410 HD11 ILE 71 HD11 ILE 71 14.138 6.892 2.082 411 HD12 ILE 71 HD12 ILE 71 12.938 5.766 1.444 412 HD13 ILE 71 HD13 ILE 71 13.287 7.266 0.584 413 H GLY 72 H GLY 72 15.897 1.548 -0.553 414 HA2 GLY 72 HA2 GLY 72 16.901 -0.473 0.102 415 HA3 GLY 72 HA3 GLY 72 17.313 0.253 1.647 416 H TYR 73 H TYR 73 14.186 1.106 1.032 417 HA TYR 73 HA TYR 73 13.251 -0.937 2.901 418 HB2 TYR 73 HB2 TYR 73 12.090 1.731 2.094 419 HB3 TYR 73 HB3 TYR 73 11.295 0.589 3.160 420 HD1 TYR 73 HD1 TYR 73 12.735 -0.178 5.241 421 HD2 TYR 73 HD2 TYR 73 13.389 3.396 3.029 422 HE1 TYR 73 HE1 TYR 73 13.929 0.784 7.162 423 HE2 TYR 73 HE2 TYR 73 14.588 4.369 4.943 424 HH TYR 73 HH TYR 73 15.644 2.543 7.570 425 HA PRO 74 HA PRO 74 11.438 -2.969 -0.690 426 HB2 PRO 74 HB2 PRO 74 10.187 -4.468 1.555 427 HB3 PRO 74 HB3 PRO 74 11.012 -5.078 0.128 428 HG2 PRO 74 HG2 PRO 74 12.234 -5.155 2.454 429 HG3 PRO 74 HG3 PRO 74 13.128 -4.641 1.007 430 HD2 PRO 74 HD2 PRO 74 11.945 -2.960 3.192 431 HD3 PRO 74 HD3 PRO 74 13.524 -2.825 2.393 432 H ALA 75 H ALA 75 9.719 -2.106 -1.697 433 HA ALA 75 HA ALA 75 7.212 -1.940 -0.161 434 HB1 ALA 75 HB1 ALA 75 8.076 0.264 -0.814 435 HB2 ALA 75 HB2 ALA 75 6.527 -0.099 -1.574 436 HB3 ALA 75 HB3 ALA 75 8.017 -0.226 -2.508 437 H LYS 76 H LYS 76 5.246 -2.288 -1.414 438 HA LYS 76 HA LYS 76 5.587 -3.819 -3.907 439 HB2 LYS 76 HB2 LYS 76 3.697 -4.641 -1.714 440 HB3 LYS 76 HB3 LYS 76 4.239 -5.589 -3.087 441 HG2 LYS 76 HG2 LYS 76 6.522 -4.913 -1.576 442 HG3 LYS 76 HG3 LYS 76 5.303 -5.478 -0.451 443 HD2 LYS 76 HD2 LYS 76 5.718 -7.035 -2.933 444 HD3 LYS 76 HD3 LYS 76 6.978 -7.115 -1.700 445 HE2 LYS 76 HE2 LYS 76 4.061 -7.600 -1.145 446 HE3 LYS 76 HE3 LYS 76 5.213 -8.863 -1.544 447 HZ1 LYS 76 HZ1 LYS 76 4.679 -7.974 0.957 448 HZ2 LYS 76 HZ2 LYS 76 6.117 -7.166 0.587 449 HZ3 LYS 76 HZ3 LYS 76 6.047 -8.859 0.511 450 H CYS 77 H CYS 77 4.284 -3.012 -5.447 451 HA CYS 77 HA CYS 77 1.764 -1.755 -4.593 452 HB2 CYS 77 HB2 CYS 77 2.770 -0.066 -5.840 453 HB3 CYS 77 HB3 CYS 77 3.500 -1.187 -6.968 454 H CYS 78 H CYS 78 0.169 -3.169 -4.722 455 HA CYS 78 HA CYS 78 0.236 -5.199 -6.859 456 HB2 CYS 78 HB2 CYS 78 0.489 -6.210 -4.636 457 HB3 CYS 78 HB3 CYS 78 -0.978 -5.407 -4.092 458 H CYS 79 H CYS 79 -2.069 -5.955 -7.419 459 HA CYS 79 HA CYS 79 -3.966 -3.780 -7.170 460 HB2 CYS 79 HB2 CYS 79 -2.901 -3.511 -9.420 461 HB3 CYS 79 HB3 CYS 79 -3.473 -5.115 -9.843 462 HG CYS 79 HG CYS 79 -5.422 -2.386 -9.163 463 H GLU 80 H GLU 80 -5.255 -4.835 -5.870 464 HA GLU 80 HA GLU 80 -7.089 -6.779 -6.535 465 HB2 GLU 80 HB2 GLU 80 -5.009 -8.221 -6.734 466 HB3 GLU 80 HB3 GLU 80 -4.731 -7.969 -5.027 467 HG2 GLU 80 HG2 GLU 80 -7.312 -9.134 -5.960 468 HG3 GLU 80 HG3 GLU 80 -5.867 -10.138 -5.888 469 H ASP 81 H ASP 81 -8.179 -7.484 -4.281 470 HA ASP 81 HA ASP 81 -8.265 -4.885 -2.963 471 HB2 ASP 81 HB2 ASP 81 -9.974 -7.340 -2.572 472 HB3 ASP 81 HB3 ASP 81 -10.003 -5.964 -1.482 473 H LEU 82 H LEU 82 -7.516 -4.489 -1.050 474 HA LEU 82 HA LEU 82 -6.397 -4.674 0.905 475 HB2 LEU 82 HB2 LEU 82 -7.114 -7.605 0.873 476 HB3 LEU 82 HB3 LEU 82 -6.770 -6.608 2.267 477 HG LEU 82 HG LEU 82 -9.010 -6.704 2.477 478 HD11 LEU 82 HD11 LEU 82 -10.198 -4.807 1.530 479 HD12 LEU 82 HD12 LEU 82 -8.838 -4.526 0.443 480 HD13 LEU 82 HD13 LEU 82 -8.622 -4.367 2.186 481 HD21 LEU 82 HD21 LEU 82 -10.600 -6.892 0.538 482 HD22 LEU 82 HD22 LEU 82 -9.554 -8.269 0.881 483 HD23 LEU 82 HD23 LEU 82 -9.164 -7.180 -0.446 484 H CYS 83 H CYS 83 -5.339 -6.046 -1.845 485 HA CYS 83 HA CYS 83 -3.640 -8.061 -1.278 486 HB2 CYS 83 HB2 CYS 83 -4.243 -7.166 -3.544 487 HB3 CYS 83 HB3 CYS 83 -2.984 -5.957 -3.334 488 H ASN 84 H ASN 84 -3.164 -4.935 -0.161 489 HA ASN 84 HA ASN 84 -0.257 -5.123 -0.062 490 HB2 ASN 84 HB2 ASN 84 -0.334 -2.932 1.039 491 HB3 ASN 84 HB3 ASN 84 -1.152 -2.901 -0.513 492 HD21 ASN 84 HD21 ASN 84 -1.377 -1.108 1.692 493 HD22 ASN 84 HD22 ASN 84 -3.036 -1.114 2.196 494 H ARG 85 H ARG 85 -1.582 -7.218 1.108 495 HA ARG 85 HA ARG 85 -1.949 -6.889 3.961 496 HB2 ARG 85 HB2 ARG 85 -1.864 -9.228 2.084 497 HB3 ARG 85 HB3 ARG 85 -1.621 -9.501 3.796 498 HG2 ARG 85 HG2 ARG 85 -3.827 -9.746 3.895 499 HG3 ARG 85 HG3 ARG 85 -3.901 -7.990 3.767 500 HD2 ARG 85 HD2 ARG 85 -5.412 -9.065 2.181 501 HD3 ARG 85 HD3 ARG 85 -4.153 -8.155 1.355 502 HE ARG 85 HE ARG 85 -3.427 -10.892 1.633 503 HH11 ARG 85 HH11 ARG 85 -5.542 -8.769 -0.202 504 HH12 ARG 85 HH12 ARG 85 -5.510 -9.747 -1.644 505 HH21 ARG 85 HH21 ARG 85 -3.417 -12.202 -0.279 506 HH22 ARG 85 HH22 ARG 85 -4.319 -11.687 -1.670 507 H SER 86 H SER 86 -0.447 -7.676 5.535 508 HA SER 86 HA SER 86 2.259 -7.524 4.951 509 HB2 SER 86 HB2 SER 86 1.064 -8.998 7.310 510 HB3 SER 86 HB3 SER 86 2.628 -8.185 7.230 511 HG SER 86 HG SER 86 1.623 -6.470 7.914 512 H GLU 87 H GLU 87 2.981 -8.856 3.373 513 HA GLU 87 HA GLU 87 3.302 -10.673 2.058 514 HB2 GLU 87 HB2 GLU 87 3.759 -11.946 4.759 515 HB3 GLU 87 HB3 GLU 87 4.335 -12.570 3.219 516 HG2 GLU 87 HG2 GLU 87 5.308 -10.276 4.826 517 HG3 GLU 87 HG3 GLU 87 6.210 -11.506 3.940 518 H GLN 88 H GLN 88 1.098 -10.746 1.360 519 HA GLN 88 HA GLN 88 -0.765 -11.848 0.742 520 HB2 GLN 88 HB2 GLN 88 0.827 -14.182 1.774 521 HB3 GLN 88 HB3 GLN 88 -0.781 -14.361 1.099 522 HG2 GLN 88 HG2 GLN 88 1.604 -13.226 -0.336 523 HG3 GLN 88 HG3 GLN 88 0.944 -14.848 -0.547 524 HE21 GLN 88 HE21 GLN 88 0.553 -11.484 -1.249 525 HE22 GLN 88 HE22 GLN 88 -0.734 -11.657 -2.387 Start of MODEL 14 1 H MET 18 H MET 18 -16.294 1.342 -11.319 2 HA MET 18 HA MET 18 -16.554 1.384 -8.909 3 HB2 MET 18 HB2 MET 18 -16.293 -0.995 -8.533 4 HB3 MET 18 HB3 MET 18 -16.897 -0.711 -10.161 5 HG2 MET 18 HG2 MET 18 -14.731 -1.095 -11.096 6 HG3 MET 18 HG3 MET 18 -14.024 -1.188 -9.487 7 HE1 MET 18 HE1 MET 18 -14.289 -3.254 -7.854 8 HE2 MET 18 HE2 MET 18 -15.448 -4.556 -8.123 9 HE3 MET 18 HE3 MET 18 -16.020 -2.914 -7.828 10 H ALA 19 H ALA 19 -15.628 1.090 -6.845 11 HA ALA 19 HA ALA 19 -12.943 2.204 -6.761 12 HB1 ALA 19 HB1 ALA 19 -14.927 1.695 -4.548 13 HB2 ALA 19 HB2 ALA 19 -14.694 3.227 -5.390 14 HB3 ALA 19 HB3 ALA 19 -13.398 2.562 -4.394 15 H LEU 20 H LEU 20 -11.349 1.261 -5.269 16 HA LEU 20 HA LEU 20 -11.572 -1.674 -5.237 17 HB2 LEU 20 HB2 LEU 20 -9.930 -0.980 -6.937 18 HB3 LEU 20 HB3 LEU 20 -9.073 -0.045 -5.727 19 HG LEU 20 HG LEU 20 -8.606 -2.164 -4.496 20 HD11 LEU 20 HD11 LEU 20 -10.476 -3.476 -5.380 21 HD12 LEU 20 HD12 LEU 20 -8.931 -4.287 -5.633 22 HD13 LEU 20 HD13 LEU 20 -9.724 -3.463 -6.976 23 HD21 LEU 20 HD21 LEU 20 -6.963 -1.165 -6.020 24 HD22 LEU 20 HD22 LEU 20 -7.643 -2.098 -7.353 25 HD23 LEU 20 HD23 LEU 20 -6.861 -2.925 -6.006 26 H LYS 21 H LYS 21 -11.498 -2.442 -3.192 27 HA LYS 21 HA LYS 21 -10.738 -0.681 -1.075 28 HB2 LYS 21 HB2 LYS 21 -11.465 -3.598 -0.842 29 HB3 LYS 21 HB3 LYS 21 -11.580 -2.359 0.401 30 HG2 LYS 21 HG2 LYS 21 -13.298 -1.220 -0.990 31 HG3 LYS 21 HG3 LYS 21 -13.254 -2.604 -2.084 32 HD2 LYS 21 HD2 LYS 21 -13.978 -2.652 0.841 33 HD3 LYS 21 HD3 LYS 21 -15.094 -2.808 -0.517 34 HE2 LYS 21 HE2 LYS 21 -12.877 -4.722 0.202 35 HE3 LYS 21 HE3 LYS 21 -14.597 -4.978 0.481 36 HZ1 LYS 21 HZ1 LYS 21 -14.905 -4.851 -1.957 37 HZ2 LYS 21 HZ2 LYS 21 -13.936 -6.149 -1.470 38 HZ3 LYS 21 HZ3 LYS 21 -13.219 -4.775 -2.146 39 H CYS 22 H CYS 22 -9.020 -0.767 0.245 40 HA CYS 22 HA CYS 22 -7.314 -3.061 0.360 41 HB2 CYS 22 HB2 CYS 22 -6.410 -0.580 -1.028 42 HB3 CYS 22 HB3 CYS 22 -5.256 -1.401 0.020 43 H PHE 23 H PHE 23 -5.420 -2.501 1.979 44 HA PHE 23 HA PHE 23 -6.817 -1.505 4.331 45 HB2 PHE 23 HB2 PHE 23 -4.058 -2.710 4.013 46 HB3 PHE 23 HB3 PHE 23 -4.773 -2.232 5.546 47 HD1 PHE 23 HD1 PHE 23 -6.726 -3.467 6.430 48 HD2 PHE 23 HD2 PHE 23 -4.596 -4.764 2.982 49 HE1 PHE 23 HE1 PHE 23 -7.712 -5.708 6.667 50 HE2 PHE 23 HE2 PHE 23 -5.578 -7.007 3.211 51 HZ PHE 23 HZ PHE 23 -7.139 -7.480 5.057 52 H THR 24 H THR 24 -6.673 0.553 4.915 53 HA THR 24 HA THR 24 -4.234 2.041 4.182 54 HB THR 24 HB THR 24 -7.005 3.179 4.640 55 HG1 THR 24 HG1 THR 24 -7.244 2.692 2.599 56 HG21 THR 24 HG21 THR 24 -5.241 4.736 5.311 57 HG22 THR 24 HG22 THR 24 -6.035 5.288 3.836 58 HG23 THR 24 HG23 THR 24 -4.449 4.522 3.750 59 H ARG 25 H ARG 25 -3.178 3.117 5.822 60 HA ARG 25 HA ARG 25 -3.726 2.180 8.440 61 HB2 ARG 25 HB2 ARG 25 -1.460 2.697 7.266 62 HB3 ARG 25 HB3 ARG 25 -1.732 4.338 7.830 63 HG2 ARG 25 HG2 ARG 25 -0.303 3.103 9.360 64 HG3 ARG 25 HG3 ARG 25 -1.829 3.539 10.136 65 HD2 ARG 25 HD2 ARG 25 -2.678 1.341 9.897 66 HD3 ARG 25 HD3 ARG 25 -1.370 0.877 8.815 67 HE ARG 25 HE ARG 25 -1.038 1.395 11.703 68 HH11 ARG 25 HH11 ARG 25 -0.145 -0.228 8.742 69 HH12 ARG 25 HH12 ARG 25 0.957 -1.330 9.513 70 HH21 ARG 25 HH21 ARG 25 0.432 -0.076 12.727 71 HH22 ARG 25 HH22 ARG 25 1.287 -1.235 11.752 72 H ASN 26 H ASN 26 -5.168 3.034 9.781 73 HA ASN 26 HA ASN 26 -5.682 5.930 9.660 74 HB2 ASN 26 HB2 ASN 26 -7.723 4.572 9.401 75 HB3 ASN 26 HB3 ASN 26 -7.371 3.745 10.913 76 HD21 ASN 26 HD21 ASN 26 -7.777 4.761 12.845 77 HD22 ASN 26 HD22 ASN 26 -8.665 6.240 12.956 78 H GLY 27 H GLY 27 -3.665 6.255 10.738 79 HA2 GLY 27 HA2 GLY 27 -2.556 6.879 12.686 80 HA3 GLY 27 HA3 GLY 27 -3.912 6.274 13.630 81 H ASP 28 H ASP 28 -3.738 4.326 14.568 82 HA ASP 28 HA ASP 28 -1.284 2.797 14.065 83 HB2 ASP 28 HB2 ASP 28 -1.780 1.665 16.193 84 HB3 ASP 28 HB3 ASP 28 -1.696 3.409 16.406 85 H ASP 29 H ASP 29 -4.794 2.536 14.190 86 HA ASP 29 HA ASP 29 -4.976 -0.167 13.576 87 HB2 ASP 29 HB2 ASP 29 -6.881 0.942 14.495 88 HB3 ASP 29 HB3 ASP 29 -6.933 2.095 13.166 89 H ARG 30 H ARG 30 -5.971 -1.122 11.616 90 HA ARG 30 HA ARG 30 -4.997 0.166 9.185 91 HB2 ARG 30 HB2 ARG 30 -4.819 -2.819 9.627 92 HB3 ARG 30 HB3 ARG 30 -4.253 -1.910 8.229 93 HG2 ARG 30 HG2 ARG 30 -2.588 -0.804 9.592 94 HG3 ARG 30 HG3 ARG 30 -3.180 -1.655 11.015 95 HD2 ARG 30 HD2 ARG 30 -1.891 -2.866 8.577 96 HD3 ARG 30 HD3 ARG 30 -1.184 -2.733 10.184 97 HE ARG 30 HE ARG 30 -3.560 -4.170 10.414 98 HH11 ARG 30 HH11 ARG 30 -0.385 -4.471 8.971 99 HH12 ARG 30 HH12 ARG 30 -0.388 -6.211 9.022 100 HH21 ARG 30 HH21 ARG 30 -3.563 -6.466 10.502 101 HH22 ARG 30 HH22 ARG 30 -2.196 -7.346 9.905 102 H THR 31 H THR 31 -6.791 0.695 8.259 103 HA THR 31 HA THR 31 -9.161 -0.932 8.698 104 HB THR 31 HB THR 31 -9.185 1.803 7.466 105 HG1 THR 31 HG1 THR 31 -8.828 1.190 10.252 106 HG21 THR 31 HG21 THR 31 -11.309 0.665 7.632 107 HG22 THR 31 HG22 THR 31 -11.270 1.978 8.812 108 HG23 THR 31 HG23 THR 31 -11.027 0.312 9.337 109 H VAL 32 H VAL 32 -10.483 -1.685 7.085 110 HA VAL 32 HA VAL 32 -9.369 -1.928 4.410 111 HB VAL 32 HB VAL 32 -12.007 -2.896 5.548 112 HG11 VAL 32 HG11 VAL 32 -10.764 -3.449 2.855 113 HG12 VAL 32 HG12 VAL 32 -12.199 -2.467 3.157 114 HG13 VAL 32 HG13 VAL 32 -12.229 -4.199 3.489 115 HG21 VAL 32 HG21 VAL 32 -10.106 -4.080 6.480 116 HG22 VAL 32 HG22 VAL 32 -9.484 -4.394 4.860 117 HG23 VAL 32 HG23 VAL 32 -11.003 -5.125 5.378 118 H THR 33 H THR 33 -9.559 -0.192 3.126 119 HA THR 33 HA THR 33 -12.017 1.411 3.375 120 HB THR 33 HB THR 33 -10.723 3.351 2.503 121 HG1 THR 33 HG1 THR 33 -8.948 1.930 1.718 122 HG21 THR 33 HG21 THR 33 -11.191 3.160 4.896 123 HG22 THR 33 HG22 THR 33 -9.614 3.900 4.621 124 HG23 THR 33 HG23 THR 33 -9.720 2.211 5.118 125 H THR 34 H THR 34 -12.913 2.167 1.459 126 HA THR 34 HA THR 34 -12.141 0.613 -0.904 127 HB THR 34 HB THR 34 -14.436 0.215 -0.395 128 HG1 THR 34 HG1 THR 34 -14.506 2.246 -2.380 129 HG21 THR 34 HG21 THR 34 -16.084 1.953 -0.026 130 HG22 THR 34 HG22 THR 34 -14.860 3.200 -0.276 131 HG23 THR 34 HG23 THR 34 -14.756 2.133 1.125 132 H CYS 35 H CYS 35 -10.937 1.727 -2.335 133 HA CYS 35 HA CYS 35 -10.971 4.659 -2.097 134 HB2 CYS 35 HB2 CYS 35 -8.628 2.929 -2.921 135 HB3 CYS 35 HB3 CYS 35 -8.624 4.666 -2.664 136 H ALA 36 H ALA 36 -10.130 5.699 -4.305 137 HA ALA 36 HA ALA 36 -12.386 4.896 -5.969 138 HB1 ALA 36 HB1 ALA 36 -12.076 7.041 -7.080 139 HB2 ALA 36 HB2 ALA 36 -10.641 7.347 -6.100 140 HB3 ALA 36 HB3 ALA 36 -12.227 7.241 -5.334 141 H GLU 37 H GLU 37 -12.085 5.019 -8.349 142 HA GLU 37 HA GLU 37 -10.277 3.290 -9.337 143 HB2 GLU 37 HB2 GLU 37 -11.680 5.576 -10.710 144 HB3 GLU 37 HB3 GLU 37 -10.723 4.398 -11.587 145 HG2 GLU 37 HG2 GLU 37 -12.798 3.498 -11.819 146 HG3 GLU 37 HG3 GLU 37 -12.253 2.674 -10.364 147 H GLU 38 H GLU 38 -9.758 6.670 -8.754 148 HA GLU 38 HA GLU 38 -7.454 7.188 -10.200 149 HB2 GLU 38 HB2 GLU 38 -6.867 8.675 -8.201 150 HB3 GLU 38 HB3 GLU 38 -8.380 9.004 -9.040 151 HG2 GLU 38 HG2 GLU 38 -9.643 7.945 -7.377 152 HG3 GLU 38 HG3 GLU 38 -8.212 7.246 -6.636 153 H GLN 39 H GLN 39 -7.919 5.359 -7.251 154 HA GLN 39 HA GLN 39 -5.020 4.984 -7.050 155 HB2 GLN 39 HB2 GLN 39 -6.981 4.570 -4.796 156 HB3 GLN 39 HB3 GLN 39 -5.228 4.618 -4.700 157 HG2 GLN 39 HG2 GLN 39 -5.354 7.008 -5.438 158 HG3 GLN 39 HG3 GLN 39 -7.100 6.898 -5.238 159 HE21 GLN 39 HE21 GLN 39 -7.254 8.343 -3.638 160 HE22 GLN 39 HE22 GLN 39 -6.606 8.094 -2.042 161 H THR 40 H THR 40 -5.741 3.462 -8.844 162 HA THR 40 HA THR 40 -7.038 1.089 -8.026 163 HB THR 40 HB THR 40 -5.734 0.568 -10.445 164 HG1 THR 40 HG1 THR 40 -6.824 3.158 -10.688 165 HG21 THR 40 HG21 THR 40 -8.473 1.700 -9.854 166 HG22 THR 40 HG22 THR 40 -8.036 -0.003 -10.000 167 HG23 THR 40 HG23 THR 40 -7.983 1.047 -11.417 168 H ARG 41 H ARG 41 -4.299 1.923 -6.862 169 HA ARG 41 HA ARG 41 -3.182 -0.750 -7.012 170 HB2 ARG 41 HB2 ARG 41 -1.777 1.258 -8.209 171 HB3 ARG 41 HB3 ARG 41 -1.176 1.381 -6.567 172 HG2 ARG 41 HG2 ARG 41 0.220 -0.025 -7.973 173 HG3 ARG 41 HG3 ARG 41 -0.474 -0.923 -6.625 174 HD2 ARG 41 HD2 ARG 41 -2.109 -1.932 -8.056 175 HD3 ARG 41 HD3 ARG 41 -1.637 -0.911 -9.411 176 HE ARG 41 HE ARG 41 0.446 -2.617 -8.316 177 HH11 ARG 41 HH11 ARG 41 -2.031 -2.207 -10.765 178 HH12 ARG 41 HH12 ARG 41 -1.364 -3.404 -11.823 179 HH21 ARG 41 HH21 ARG 41 1.325 -4.192 -9.705 180 HH22 ARG 41 HH22 ARG 41 0.556 -4.536 -11.220 181 H CYS 42 H CYS 42 -1.387 -0.621 -4.994 182 HA CYS 42 HA CYS 42 -2.680 0.582 -2.765 183 HB2 CYS 42 HB2 CYS 42 -2.559 -2.442 -2.858 184 HB3 CYS 42 HB3 CYS 42 -3.137 -1.461 -1.517 185 H LEU 43 H LEU 43 -1.224 0.864 -1.101 186 HA LEU 43 HA LEU 43 1.544 0.247 -1.865 187 HB2 LEU 43 HB2 LEU 43 0.410 2.622 -1.145 188 HB3 LEU 43 HB3 LEU 43 1.024 2.062 0.396 189 HG LEU 43 HG LEU 43 2.577 2.691 -2.090 190 HD11 LEU 43 HD11 LEU 43 2.040 4.586 -0.710 191 HD12 LEU 43 HD12 LEU 43 3.765 4.229 -0.615 192 HD13 LEU 43 HD13 LEU 43 2.693 3.764 0.706 193 HD21 LEU 43 HD21 LEU 43 3.465 0.619 -1.187 194 HD22 LEU 43 HD22 LEU 43 3.620 1.376 0.398 195 HD23 LEU 43 HD23 LEU 43 4.589 1.958 -0.955 196 H PHE 44 H PHE 44 2.535 -1.336 -0.775 197 HA PHE 44 HA PHE 44 2.091 -1.485 2.126 198 HB2 PHE 44 HB2 PHE 44 1.062 -3.456 1.166 199 HB3 PHE 44 HB3 PHE 44 2.485 -3.761 0.163 200 HD1 PHE 44 HD1 PHE 44 1.227 -3.780 3.651 201 HD2 PHE 44 HD2 PHE 44 4.341 -4.890 0.978 202 HE1 PHE 44 HE1 PHE 44 2.243 -5.179 5.410 203 HE2 PHE 44 HE2 PHE 44 5.351 -6.281 2.717 204 HZ PHE 44 HZ PHE 44 4.327 -6.430 4.929 205 H VAL 45 H VAL 45 3.963 -1.264 3.287 206 HA VAL 45 HA VAL 45 6.492 -1.620 1.841 207 HB VAL 45 HB VAL 45 6.045 0.677 3.763 208 HG11 VAL 45 HG11 VAL 45 8.331 -0.177 3.714 209 HG12 VAL 45 HG12 VAL 45 8.227 1.446 3.033 210 HG13 VAL 45 HG13 VAL 45 8.376 0.050 1.965 211 HG21 VAL 45 HG21 VAL 45 6.270 0.771 0.754 212 HG22 VAL 45 HG22 VAL 45 6.172 2.164 1.830 213 HG23 VAL 45 HG23 VAL 45 4.801 1.064 1.683 214 H GLN 46 H GLN 46 8.163 -2.476 3.096 215 HA GLN 46 HA GLN 46 7.334 -3.772 5.581 216 HB2 GLN 46 HB2 GLN 46 10.097 -3.863 4.400 217 HB3 GLN 46 HB3 GLN 46 9.354 -4.998 5.506 218 HG2 GLN 46 HG2 GLN 46 8.525 -4.645 2.631 219 HG3 GLN 46 HG3 GLN 46 9.688 -5.802 3.218 220 HE21 GLN 46 HE21 GLN 46 6.975 -5.196 5.246 221 HE22 GLN 46 HE22 GLN 46 6.165 -6.685 4.908 222 H LEU 47 H LEU 47 8.367 -3.404 7.538 223 HA LEU 47 HA LEU 47 10.191 -1.155 7.707 224 HB2 LEU 47 HB2 LEU 47 7.598 -1.312 9.219 225 HB3 LEU 47 HB3 LEU 47 8.988 -0.534 9.943 226 HG LEU 47 HG LEU 47 7.569 1.140 8.997 227 HD11 LEU 47 HD11 LEU 47 9.943 1.558 8.820 228 HD12 LEU 47 HD12 LEU 47 9.097 2.230 7.426 229 HD13 LEU 47 HD13 LEU 47 9.997 0.722 7.268 230 HD21 LEU 47 HD21 LEU 47 7.753 -0.433 6.443 231 HD22 LEU 47 HD22 LEU 47 7.130 1.211 6.552 232 HD23 LEU 47 HD23 LEU 47 6.309 -0.099 7.402 233 HA PRO 48 HA PRO 48 12.232 -3.994 10.405 234 HB2 PRO 48 HB2 PRO 48 13.320 -1.776 11.968 235 HB3 PRO 48 HB3 PRO 48 14.151 -2.895 10.888 236 HG2 PRO 48 HG2 PRO 48 13.798 -0.292 10.276 237 HG3 PRO 48 HG3 PRO 48 13.832 -1.563 9.041 238 HD2 PRO 48 HD2 PRO 48 11.481 -0.161 10.262 239 HD3 PRO 48 HD3 PRO 48 11.771 -0.603 8.564 240 H TYR 49 H TYR 49 9.483 -3.013 11.309 241 HA TYR 49 HA TYR 49 9.426 -3.930 13.866 242 HB2 TYR 49 HB2 TYR 49 8.977 -1.896 15.237 243 HB3 TYR 49 HB3 TYR 49 10.634 -1.991 14.658 244 HD1 TYR 49 HD1 TYR 49 11.316 -0.546 12.703 245 HD2 TYR 49 HD2 TYR 49 7.613 -0.028 14.729 246 HE1 TYR 49 HE1 TYR 49 11.128 1.711 11.760 247 HE2 TYR 49 HE2 TYR 49 7.414 2.239 13.793 248 HH TYR 49 HH TYR 49 8.863 3.992 12.875 249 H SER 50 H SER 50 7.993 -1.807 11.499 250 HA SER 50 HA SER 50 5.402 -3.048 12.098 251 HB2 SER 50 HB2 SER 50 4.415 -0.774 11.617 252 HB3 SER 50 HB3 SER 50 5.392 -0.849 13.083 253 HG SER 50 HG SER 50 5.867 0.475 10.690 254 H GLU 51 H GLU 51 3.907 -1.824 10.097 255 HA GLU 51 HA GLU 51 5.442 -1.970 7.608 256 HB2 GLU 51 HB2 GLU 51 3.148 -3.215 6.882 257 HB3 GLU 51 HB3 GLU 51 4.606 -4.057 7.382 258 HG2 GLU 51 HG2 GLU 51 2.637 -4.980 8.461 259 HG3 GLU 51 HG3 GLU 51 3.733 -4.270 9.642 260 H ILE 52 H ILE 52 4.294 -1.105 5.740 261 HA ILE 52 HA ILE 52 2.500 1.107 6.511 262 HB ILE 52 HB ILE 52 4.357 0.825 4.174 263 HG12 ILE 52 HG12 ILE 52 5.352 1.582 6.279 264 HG13 ILE 52 HG13 ILE 52 5.349 2.848 5.071 265 HG21 ILE 52 HG21 ILE 52 3.549 3.002 3.392 266 HG22 ILE 52 HG22 ILE 52 2.299 2.976 4.637 267 HG23 ILE 52 HG23 ILE 52 2.285 1.773 3.346 268 HD11 ILE 52 HD11 ILE 52 4.790 3.689 7.284 269 HD12 ILE 52 HD12 ILE 52 3.388 2.618 7.324 270 HD13 ILE 52 HD13 ILE 52 3.473 3.918 6.134 271 H GLN 53 H GLN 53 0.544 1.334 5.468 272 HA GLN 53 HA GLN 53 -0.094 -0.362 3.262 273 HB2 GLN 53 HB2 GLN 53 -1.820 -0.565 5.739 274 HB3 GLN 53 HB3 GLN 53 -2.161 -1.300 4.182 275 HG2 GLN 53 HG2 GLN 53 0.029 -2.561 4.488 276 HG3 GLN 53 HG3 GLN 53 -0.035 -2.025 6.167 277 HE21 GLN 53 HE21 GLN 53 -1.374 -4.119 3.775 278 HE22 GLN 53 HE22 GLN 53 -2.410 -5.006 4.836 279 H GLU 54 H GLU 54 -1.194 0.876 1.865 280 HA GLU 54 HA GLU 54 -3.397 2.549 2.675 281 HB2 GLU 54 HB2 GLU 54 -2.283 4.601 1.614 282 HB3 GLU 54 HB3 GLU 54 -1.766 4.157 3.227 283 HG2 GLU 54 HG2 GLU 54 0.172 2.971 2.181 284 HG3 GLU 54 HG3 GLU 54 -0.298 3.702 0.643 285 H CYS 55 H CYS 55 -4.644 3.293 0.830 286 HA CYS 55 HA CYS 55 -4.140 2.046 -1.665 287 HB2 CYS 55 HB2 CYS 55 -5.941 4.408 -1.023 288 HB3 CYS 55 HB3 CYS 55 -6.000 3.483 -2.509 289 H LYS 56 H LYS 56 -3.507 3.038 -3.668 290 HA LYS 56 HA LYS 56 -2.452 5.687 -3.606 291 HB2 LYS 56 HB2 LYS 56 -0.644 3.955 -2.644 292 HB3 LYS 56 HB3 LYS 56 -0.353 3.704 -4.355 293 HG2 LYS 56 HG2 LYS 56 1.172 5.352 -3.417 294 HG3 LYS 56 HG3 LYS 56 0.127 6.067 -4.647 295 HD2 LYS 56 HD2 LYS 56 0.377 7.524 -2.680 296 HD3 LYS 56 HD3 LYS 56 -1.296 7.017 -2.923 297 HE2 LYS 56 HE2 LYS 56 -0.912 5.217 -1.236 298 HE3 LYS 56 HE3 LYS 56 0.667 5.920 -0.902 299 HZ1 LYS 56 HZ1 LYS 56 -0.799 6.760 0.704 300 HZ2 LYS 56 HZ2 LYS 56 -1.993 7.127 -0.446 301 HZ3 LYS 56 HZ3 LYS 56 -0.561 8.028 -0.396 302 H THR 57 H THR 57 -1.863 6.396 -5.776 303 HA THR 57 HA THR 57 -3.473 5.071 -7.770 304 HB THR 57 HB THR 57 -2.871 6.860 -9.241 305 HG1 THR 57 HG1 THR 57 -1.342 8.494 -7.950 306 HG21 THR 57 HG21 THR 57 -3.270 7.929 -6.446 307 HG22 THR 57 HG22 THR 57 -4.540 7.435 -7.567 308 HG23 THR 57 HG23 THR 57 -3.536 8.838 -7.933 309 H VAL 58 H VAL 58 -2.712 3.871 -9.482 310 HA VAL 58 HA VAL 58 -0.575 2.236 -9.106 311 HB VAL 58 HB VAL 58 -1.565 3.062 -11.846 312 HG11 VAL 58 HG11 VAL 58 -0.859 0.826 -12.526 313 HG12 VAL 58 HG12 VAL 58 -0.260 0.514 -10.896 314 HG13 VAL 58 HG13 VAL 58 0.497 1.758 -11.891 315 HG21 VAL 58 HG21 VAL 58 -3.133 1.183 -11.649 316 HG22 VAL 58 HG22 VAL 58 -3.440 2.429 -10.440 317 HG23 VAL 58 HG23 VAL 58 -2.617 0.938 -9.980 318 H GLN 59 H GLN 59 -0.580 5.267 -10.939 319 HA GLN 59 HA GLN 59 2.014 5.069 -12.059 320 HB2 GLN 59 HB2 GLN 59 0.573 6.678 -13.010 321 HB3 GLN 59 HB3 GLN 59 0.168 7.363 -11.442 322 HG2 GLN 59 HG2 GLN 59 1.580 8.922 -12.501 323 HG3 GLN 59 HG3 GLN 59 2.555 8.123 -11.263 324 HE21 GLN 59 HE21 GLN 59 1.731 6.579 -14.289 325 HE22 GLN 59 HE22 GLN 59 3.323 6.607 -14.952 326 H GLN 60 H GLN 60 0.816 6.668 -9.103 327 HA GLN 60 HA GLN 60 3.449 7.748 -8.534 328 HB2 GLN 60 HB2 GLN 60 0.882 7.759 -6.932 329 HB3 GLN 60 HB3 GLN 60 2.370 8.561 -6.447 330 HG2 GLN 60 HG2 GLN 60 2.252 10.039 -8.334 331 HG3 GLN 60 HG3 GLN 60 0.863 9.164 -8.979 332 HE21 GLN 60 HE21 GLN 60 1.977 11.381 -6.544 333 HE22 GLN 60 HE22 GLN 60 0.415 11.911 -6.033 334 H CYS 61 H CYS 61 1.415 5.051 -7.462 335 HA CYS 61 HA CYS 61 3.003 4.416 -5.234 336 HB2 CYS 61 HB2 CYS 61 0.662 3.486 -6.028 337 HB3 CYS 61 HB3 CYS 61 1.632 2.241 -6.801 338 H ALA 62 H ALA 62 3.450 3.709 -8.649 339 HA ALA 62 HA ALA 62 5.572 1.790 -8.265 340 HB1 ALA 62 HB1 ALA 62 4.344 1.850 -10.369 341 HB2 ALA 62 HB2 ALA 62 6.054 2.183 -10.637 342 HB3 ALA 62 HB3 ALA 62 4.888 3.504 -10.652 343 H GLU 63 H GLU 63 5.360 5.247 -9.006 344 HA GLU 63 HA GLU 63 7.969 5.985 -8.938 345 HB2 GLU 63 HB2 GLU 63 5.495 7.389 -7.977 346 HB3 GLU 63 HB3 GLU 63 7.043 8.198 -8.087 347 HG2 GLU 63 HG2 GLU 63 5.499 6.948 -10.337 348 HG3 GLU 63 HG3 GLU 63 5.752 8.660 -10.038 349 H VAL 64 H VAL 64 5.799 6.157 -6.143 350 HA VAL 64 HA VAL 64 7.653 6.615 -4.250 351 HB VAL 64 HB VAL 64 5.941 6.234 -2.729 352 HG11 VAL 64 HG11 VAL 64 5.537 8.144 -4.129 353 HG12 VAL 64 HG12 VAL 64 4.025 7.411 -3.597 354 HG13 VAL 64 HG13 VAL 64 4.609 7.129 -5.238 355 HG21 VAL 64 HG21 VAL 64 4.739 4.437 -4.721 356 HG22 VAL 64 HG22 VAL 64 3.844 5.038 -3.323 357 HG23 VAL 64 HG23 VAL 64 5.295 4.058 -3.094 358 H LEU 65 H LEU 65 6.534 3.522 -5.545 359 HA LEU 65 HA LEU 65 7.653 1.775 -3.809 360 HB2 LEU 65 HB2 LEU 65 6.568 1.458 -6.213 361 HB3 LEU 65 HB3 LEU 65 8.243 1.344 -6.706 362 HG LEU 65 HG LEU 65 7.776 -0.855 -6.411 363 HD11 LEU 65 HD11 LEU 65 9.606 -0.629 -5.035 364 HD12 LEU 65 HD12 LEU 65 8.466 -1.640 -4.146 365 HD13 LEU 65 HD13 LEU 65 8.647 0.065 -3.733 366 HD21 LEU 65 HD21 LEU 65 5.953 -0.160 -4.130 367 HD22 LEU 65 HD22 LEU 65 6.222 -1.779 -4.775 368 HD23 LEU 65 HD23 LEU 65 5.459 -0.546 -5.778 369 H GLU 66 H GLU 66 9.369 3.360 -6.524 370 HA GLU 66 HA GLU 66 11.805 2.224 -5.740 371 HB2 GLU 66 HB2 GLU 66 11.315 2.952 -8.063 372 HB3 GLU 66 HB3 GLU 66 11.471 4.622 -7.527 373 HG2 GLU 66 HG2 GLU 66 13.781 4.274 -6.949 374 HG3 GLU 66 HG3 GLU 66 13.648 2.556 -7.317 375 H GLU 67 H GLU 67 10.316 5.231 -4.789 376 HA GLU 67 HA GLU 67 12.707 6.530 -3.980 377 HB2 GLU 67 HB2 GLU 67 11.251 8.028 -2.753 378 HB3 GLU 67 HB3 GLU 67 10.585 7.713 -4.356 379 HG2 GLU 67 HG2 GLU 67 9.121 6.101 -3.490 380 HG3 GLU 67 HG3 GLU 67 9.800 6.290 -1.887 381 H VAL 68 H VAL 68 10.273 4.603 -2.206 382 HA VAL 68 HA VAL 68 11.788 4.538 0.158 383 HB VAL 68 HB VAL 68 10.258 2.723 0.903 384 HG11 VAL 68 HG11 VAL 68 8.209 4.044 0.864 385 HG12 VAL 68 HG12 VAL 68 8.868 5.039 -0.435 386 HG13 VAL 68 HG13 VAL 68 9.618 5.064 1.160 387 HG21 VAL 68 HG21 VAL 68 8.398 2.026 -0.550 388 HG22 VAL 68 HG22 VAL 68 9.959 1.539 -1.208 389 HG23 VAL 68 HG23 VAL 68 9.111 2.926 -1.889 390 H THR 69 H THR 69 11.557 2.255 -2.516 391 HA THR 69 HA THR 69 13.049 0.216 -1.301 392 HB THR 69 HB THR 69 12.533 0.782 -4.225 393 HG1 THR 69 HG1 THR 69 10.617 0.376 -3.298 394 HG21 THR 69 HG21 THR 69 14.395 -0.779 -4.051 395 HG22 THR 69 HG22 THR 69 12.933 -1.620 -4.583 396 HG23 THR 69 HG23 THR 69 13.480 -1.767 -2.910 397 H ALA 70 H ALA 70 14.041 3.077 -3.050 398 HA ALA 70 HA ALA 70 16.748 2.346 -3.241 399 HB1 ALA 70 HB1 ALA 70 17.158 4.708 -3.718 400 HB2 ALA 70 HB2 ALA 70 15.531 5.106 -3.166 401 HB3 ALA 70 HB3 ALA 70 15.754 4.113 -4.605 402 H ILE 71 H ILE 71 14.848 3.556 -0.631 403 HA ILE 71 HA ILE 71 17.101 4.474 0.956 404 HB ILE 71 HB ILE 71 14.329 3.876 1.990 405 HG12 ILE 71 HG12 ILE 71 15.293 6.480 0.794 406 HG13 ILE 71 HG13 ILE 71 14.142 5.388 0.044 407 HG21 ILE 71 HG21 ILE 71 14.902 5.584 3.659 408 HG22 ILE 71 HG22 ILE 71 16.489 5.767 2.914 409 HG23 ILE 71 HG23 ILE 71 16.041 4.239 3.672 410 HD11 ILE 71 HD11 ILE 71 12.993 7.243 1.065 411 HD12 ILE 71 HD12 ILE 71 13.755 6.896 2.617 412 HD13 ILE 71 HD13 ILE 71 12.606 5.752 1.924 413 H GLY 72 H GLY 72 15.378 1.573 0.316 414 HA2 GLY 72 HA2 GLY 72 16.340 -0.496 1.034 415 HA3 GLY 72 HA3 GLY 72 16.710 0.259 2.579 416 H TYR 73 H TYR 73 13.657 1.158 1.503 417 HA TYR 73 HA TYR 73 12.403 -0.766 3.289 418 HB2 TYR 73 HB2 TYR 73 11.426 1.840 2.111 419 HB3 TYR 73 HB3 TYR 73 10.477 0.813 3.169 420 HD1 TYR 73 HD1 TYR 73 11.878 0.132 5.410 421 HD2 TYR 73 HD2 TYR 73 12.380 3.672 3.104 422 HE1 TYR 73 HE1 TYR 73 12.832 1.267 7.370 423 HE2 TYR 73 HE2 TYR 73 13.337 4.817 5.060 424 HH TYR 73 HH TYR 73 13.280 4.624 7.509 425 HA PRO 74 HA PRO 74 11.117 -3.005 -0.490 426 HB2 PRO 74 HB2 PRO 74 9.915 -4.494 1.807 427 HB3 PRO 74 HB3 PRO 74 10.713 -5.126 0.378 428 HG2 PRO 74 HG2 PRO 74 12.025 -5.106 2.636 429 HG3 PRO 74 HG3 PRO 74 12.846 -4.536 1.165 430 HD2 PRO 74 HD2 PRO 74 11.633 -2.939 3.392 431 HD3 PRO 74 HD3 PRO 74 13.161 -2.692 2.528 432 H ALA 75 H ALA 75 9.393 -2.076 -1.532 433 HA ALA 75 HA ALA 75 6.839 -2.134 -0.072 434 HB1 ALA 75 HB1 ALA 75 7.677 0.129 -0.541 435 HB2 ALA 75 HB2 ALA 75 6.144 -0.202 -1.345 436 HB3 ALA 75 HB3 ALA 75 7.645 -0.233 -2.264 437 H LYS 76 H LYS 76 4.942 -2.651 -1.201 438 HA LYS 76 HA LYS 76 5.267 -3.799 -3.894 439 HB2 LYS 76 HB2 LYS 76 3.309 -5.236 -2.308 440 HB3 LYS 76 HB3 LYS 76 4.658 -5.862 -3.239 441 HG2 LYS 76 HG2 LYS 76 6.123 -5.219 -1.276 442 HG3 LYS 76 HG3 LYS 76 4.636 -4.948 -0.381 443 HD2 LYS 76 HD2 LYS 76 3.971 -7.260 -0.731 444 HD3 LYS 76 HD3 LYS 76 5.423 -7.549 -1.693 445 HE2 LYS 76 HE2 LYS 76 6.839 -7.258 0.182 446 HE3 LYS 76 HE3 LYS 76 5.530 -6.593 1.158 447 HZ1 LYS 76 HZ1 LYS 76 4.451 -8.852 0.878 448 HZ2 LYS 76 HZ2 LYS 76 5.790 -8.767 1.908 449 HZ3 LYS 76 HZ3 LYS 76 5.960 -9.402 0.346 450 H CYS 77 H CYS 77 4.037 -2.311 -5.045 451 HA CYS 77 HA CYS 77 1.360 -1.826 -4.087 452 HB2 CYS 77 HB2 CYS 77 2.660 -0.822 -6.633 453 HB3 CYS 77 HB3 CYS 77 1.161 -0.249 -5.922 454 H CYS 78 H CYS 78 0.220 -3.698 -4.308 455 HA CYS 78 HA CYS 78 0.032 -4.864 -6.960 456 HB2 CYS 78 HB2 CYS 78 0.410 -6.361 -5.067 457 HB3 CYS 78 HB3 CYS 78 -1.047 -5.766 -4.275 458 H CYS 79 H CYS 79 -2.239 -5.677 -7.596 459 HA CYS 79 HA CYS 79 -4.209 -3.643 -6.989 460 HB2 CYS 79 HB2 CYS 79 -3.279 -2.890 -9.112 461 HB3 CYS 79 HB3 CYS 79 -3.521 -4.482 -9.814 462 HG CYS 79 HG CYS 79 -5.815 -2.079 -9.123 463 H GLU 80 H GLU 80 -5.483 -4.892 -5.890 464 HA GLU 80 HA GLU 80 -7.233 -6.709 -7.039 465 HB2 GLU 80 HB2 GLU 80 -5.308 -8.294 -6.985 466 HB3 GLU 80 HB3 GLU 80 -5.146 -8.030 -5.262 467 HG2 GLU 80 HG2 GLU 80 -7.785 -8.786 -5.563 468 HG3 GLU 80 HG3 GLU 80 -6.911 -9.801 -6.708 469 H ASP 81 H ASP 81 -8.418 -7.830 -4.867 470 HA ASP 81 HA ASP 81 -9.162 -5.354 -3.532 471 HB2 ASP 81 HB2 ASP 81 -10.865 -7.078 -4.385 472 HB3 ASP 81 HB3 ASP 81 -10.365 -8.064 -3.012 473 H LEU 82 H LEU 82 -7.987 -4.771 -1.903 474 HA LEU 82 HA LEU 82 -6.761 -4.739 -0.008 475 HB2 LEU 82 HB2 LEU 82 -7.708 -7.573 0.441 476 HB3 LEU 82 HB3 LEU 82 -7.015 -6.503 1.642 477 HG LEU 82 HG LEU 82 -9.720 -6.279 0.327 478 HD11 LEU 82 HD11 LEU 82 -8.873 -6.573 3.202 479 HD12 LEU 82 HD12 LEU 82 -9.561 -7.846 2.190 480 HD13 LEU 82 HD13 LEU 82 -10.531 -6.434 2.618 481 HD21 LEU 82 HD21 LEU 82 -8.328 -4.308 2.130 482 HD22 LEU 82 HD22 LEU 82 -10.039 -4.259 1.701 483 HD23 LEU 82 HD23 LEU 82 -8.808 -4.052 0.453 484 H CYS 83 H CYS 83 -5.651 -5.781 -2.575 485 HA CYS 83 HA CYS 83 -3.962 -7.909 -2.086 486 HB2 CYS 83 HB2 CYS 83 -4.586 -6.703 -4.326 487 HB3 CYS 83 HB3 CYS 83 -3.100 -5.814 -4.035 488 H ASN 84 H ASN 84 -3.608 -5.062 -0.490 489 HA ASN 84 HA ASN 84 -0.681 -5.001 -0.707 490 HB2 ASN 84 HB2 ASN 84 -0.706 -2.976 0.625 491 HB3 ASN 84 HB3 ASN 84 -1.769 -2.789 -0.760 492 HD21 ASN 84 HD21 ASN 84 -1.675 -1.357 1.737 493 HD22 ASN 84 HD22 ASN 84 -3.249 -1.500 2.447 494 H ARG 85 H ARG 85 -2.236 -7.161 0.348 495 HA ARG 85 HA ARG 85 -1.651 -7.177 3.221 496 HB2 ARG 85 HB2 ARG 85 -2.840 -9.390 3.158 497 HB3 ARG 85 HB3 ARG 85 -3.852 -8.027 2.700 498 HG2 ARG 85 HG2 ARG 85 -3.357 -8.595 0.302 499 HG3 ARG 85 HG3 ARG 85 -2.599 -10.075 0.887 500 HD2 ARG 85 HD2 ARG 85 -4.626 -10.934 1.679 501 HD3 ARG 85 HD3 ARG 85 -5.408 -9.353 1.656 502 HE ARG 85 HE ARG 85 -4.650 -10.054 -0.967 503 HH11 ARG 85 HH11 ARG 85 -6.947 -11.000 1.495 504 HH12 ARG 85 HH12 ARG 85 -8.161 -11.482 0.360 505 HH21 ARG 85 HH21 ARG 85 -6.240 -10.674 -2.481 506 HH22 ARG 85 HH22 ARG 85 -7.751 -11.311 -1.906 507 H SER 86 H SER 86 0.155 -8.200 3.921 508 HA SER 86 HA SER 86 1.336 -10.349 2.398 509 HB2 SER 86 HB2 SER 86 2.712 -7.684 2.722 510 HB3 SER 86 HB3 SER 86 3.578 -9.169 2.338 511 HG SER 86 HG SER 86 1.387 -8.693 0.740 512 H GLU 87 H GLU 87 3.316 -11.189 3.498 513 HA GLU 87 HA GLU 87 4.059 -12.339 5.316 514 HB2 GLU 87 HB2 GLU 87 4.038 -9.448 6.171 515 HB3 GLU 87 HB3 GLU 87 4.816 -10.710 7.113 516 HG2 GLU 87 HG2 GLU 87 6.434 -9.546 5.736 517 HG3 GLU 87 HG3 GLU 87 6.281 -11.227 5.231 518 H GLN 88 H GLN 88 1.477 -12.864 5.271 519 HA GLN 88 HA GLN 88 -0.025 -12.057 7.573 520 HB2 GLN 88 HB2 GLN 88 -0.364 -14.376 5.663 521 HB3 GLN 88 HB3 GLN 88 -1.516 -13.946 6.918 522 HG2 GLN 88 HG2 GLN 88 -0.704 -12.147 4.646 523 HG3 GLN 88 HG3 GLN 88 -2.149 -13.155 4.664 524 HE21 GLN 88 HE21 GLN 88 -3.841 -12.627 6.065 525 HE22 GLN 88 HE22 GLN 88 -3.984 -11.055 6.767 Start of MODEL 15 1 H MET 18 H MET 18 -12.423 3.506 -11.563 2 HA MET 18 HA MET 18 -13.463 1.516 -11.067 3 HB2 MET 18 HB2 MET 18 -10.795 0.203 -11.627 4 HB3 MET 18 HB3 MET 18 -12.175 -0.638 -10.940 5 HG2 MET 18 HG2 MET 18 -12.067 -1.121 -13.272 6 HG3 MET 18 HG3 MET 18 -13.466 -0.090 -12.980 7 HE1 MET 18 HE1 MET 18 -12.257 -0.590 -15.899 8 HE2 MET 18 HE2 MET 18 -12.331 1.049 -16.544 9 HE3 MET 18 HE3 MET 18 -13.657 0.429 -15.563 10 H ALA 19 H ALA 19 -13.832 1.177 -8.910 11 HA ALA 19 HA ALA 19 -11.923 2.436 -7.096 12 HB1 ALA 19 HB1 ALA 19 -13.678 2.314 -5.433 13 HB2 ALA 19 HB2 ALA 19 -14.684 1.365 -6.525 14 HB3 ALA 19 HB3 ALA 19 -14.304 3.043 -6.911 15 H LEU 20 H LEU 20 -10.775 1.320 -5.582 16 HA LEU 20 HA LEU 20 -11.117 -1.588 -5.497 17 HB2 LEU 20 HB2 LEU 20 -9.181 -0.902 -6.999 18 HB3 LEU 20 HB3 LEU 20 -8.412 -0.250 -5.566 19 HG LEU 20 HG LEU 20 -8.491 -2.542 -4.562 20 HD11 LEU 20 HD11 LEU 20 -9.304 -3.337 -7.355 21 HD12 LEU 20 HD12 LEU 20 -10.318 -3.437 -5.916 22 HD13 LEU 20 HD13 LEU 20 -8.871 -4.437 -6.046 23 HD21 LEU 20 HD21 LEU 20 -6.464 -1.677 -5.588 24 HD22 LEU 20 HD22 LEU 20 -7.007 -2.237 -7.169 25 HD23 LEU 20 HD23 LEU 20 -6.629 -3.404 -5.901 26 H LYS 21 H LYS 21 -10.696 -2.463 -3.397 27 HA LYS 21 HA LYS 21 -10.385 -0.440 -1.335 28 HB2 LYS 21 HB2 LYS 21 -11.197 -3.342 -1.153 29 HB3 LYS 21 HB3 LYS 21 -11.265 -2.168 0.157 30 HG2 LYS 21 HG2 LYS 21 -12.949 -0.911 -0.952 31 HG3 LYS 21 HG3 LYS 21 -12.765 -1.862 -2.427 32 HD2 LYS 21 HD2 LYS 21 -13.666 -2.966 0.219 33 HD3 LYS 21 HD3 LYS 21 -14.751 -2.470 -1.080 34 HE2 LYS 21 HE2 LYS 21 -12.699 -4.665 -1.154 35 HE3 LYS 21 HE3 LYS 21 -14.451 -4.848 -1.174 36 HZ1 LYS 21 HZ1 LYS 21 -14.533 -3.837 -3.338 37 HZ2 LYS 21 HZ2 LYS 21 -13.396 -5.099 -3.383 38 HZ3 LYS 21 HZ3 LYS 21 -12.876 -3.495 -3.298 39 H CYS 22 H CYS 22 -8.464 -0.088 -0.482 40 HA CYS 22 HA CYS 22 -6.606 -2.348 -0.254 41 HB2 CYS 22 HB2 CYS 22 -5.704 0.525 -0.505 42 HB3 CYS 22 HB3 CYS 22 -4.714 -0.927 -0.575 43 H PHE 23 H PHE 23 -5.250 -2.166 1.706 44 HA PHE 23 HA PHE 23 -6.867 -1.284 3.948 45 HB2 PHE 23 HB2 PHE 23 -4.133 -2.566 3.801 46 HB3 PHE 23 HB3 PHE 23 -4.924 -2.113 5.305 47 HD1 PHE 23 HD1 PHE 23 -7.411 -3.067 5.501 48 HD2 PHE 23 HD2 PHE 23 -4.292 -4.748 3.148 49 HE1 PHE 23 HE1 PHE 23 -8.535 -5.254 5.581 50 HE2 PHE 23 HE2 PHE 23 -5.409 -6.938 3.225 51 HZ PHE 23 HZ PHE 23 -7.533 -7.194 4.444 52 H THR 24 H THR 24 -6.628 0.647 4.944 53 HA THR 24 HA THR 24 -4.200 2.171 4.353 54 HB THR 24 HB THR 24 -5.705 4.068 5.356 55 HG1 THR 24 HG1 THR 24 -7.871 2.715 4.286 56 HG21 THR 24 HG21 THR 24 -6.264 2.847 2.649 57 HG22 THR 24 HG22 THR 24 -4.960 3.971 3.029 58 HG23 THR 24 HG23 THR 24 -6.638 4.503 3.129 59 H ARG 25 H ARG 25 -3.074 3.254 6.021 60 HA ARG 25 HA ARG 25 -3.195 1.827 8.570 61 HB2 ARG 25 HB2 ARG 25 -1.037 2.479 7.185 62 HB3 ARG 25 HB3 ARG 25 -1.252 4.035 7.974 63 HG2 ARG 25 HG2 ARG 25 0.257 2.887 9.331 64 HG3 ARG 25 HG3 ARG 25 -1.290 2.727 10.164 65 HD2 ARG 25 HD2 ARG 25 -1.547 0.501 8.989 66 HD3 ARG 25 HD3 ARG 25 0.136 0.667 8.491 67 HE ARG 25 HE ARG 25 0.226 1.015 11.184 68 HH11 ARG 25 HH11 ARG 25 -1.061 -1.490 9.109 69 HH12 ARG 25 HH12 ARG 25 -0.913 -2.735 10.306 70 HH21 ARG 25 HH21 ARG 25 0.347 -0.596 12.806 71 HH22 ARG 25 HH22 ARG 25 -0.120 -2.225 12.412 72 H ASN 26 H ASN 26 -4.496 2.653 10.118 73 HA ASN 26 HA ASN 26 -4.935 5.552 10.187 74 HB2 ASN 26 HB2 ASN 26 -6.843 4.414 8.967 75 HB3 ASN 26 HB3 ASN 26 -7.203 3.569 10.467 76 HD21 ASN 26 HD21 ASN 26 -8.867 5.373 8.980 77 HD22 ASN 26 HD22 ASN 26 -9.251 6.687 10.034 78 H GLY 27 H GLY 27 -4.288 6.169 12.139 79 HA2 GLY 27 HA2 GLY 27 -4.013 6.192 14.452 80 HA3 GLY 27 HA3 GLY 27 -5.105 4.811 14.565 81 H ASP 28 H ASP 28 -4.258 2.768 13.711 82 HA ASP 28 HA ASP 28 -1.434 2.588 13.417 83 HB2 ASP 28 HB2 ASP 28 -1.478 2.065 15.785 84 HB3 ASP 28 HB3 ASP 28 -2.755 0.876 15.535 85 H ASP 29 H ASP 29 -3.532 -0.129 14.151 86 HA ASP 29 HA ASP 29 -2.750 -1.521 11.967 87 HB2 ASP 29 HB2 ASP 29 -3.979 -2.329 14.087 88 HB3 ASP 29 HB3 ASP 29 -5.452 -2.073 13.153 89 H ARG 30 H ARG 30 -4.819 -2.663 10.558 90 HA ARG 30 HA ARG 30 -4.816 -0.570 8.515 91 HB2 ARG 30 HB2 ARG 30 -5.140 -2.361 6.918 92 HB3 ARG 30 HB3 ARG 30 -3.760 -2.715 7.945 93 HG2 ARG 30 HG2 ARG 30 -5.956 -3.897 9.212 94 HG3 ARG 30 HG3 ARG 30 -6.144 -4.250 7.493 95 HD2 ARG 30 HD2 ARG 30 -4.863 -6.016 8.429 96 HD3 ARG 30 HD3 ARG 30 -3.754 -5.016 7.491 97 HE ARG 30 HE ARG 30 -4.000 -4.772 10.430 98 HH11 ARG 30 HH11 ARG 30 -2.067 -5.042 7.524 99 HH12 ARG 30 HH12 ARG 30 -0.547 -4.949 8.355 100 HH21 ARG 30 HH21 ARG 30 -2.007 -4.650 11.543 101 HH22 ARG 30 HH22 ARG 30 -0.505 -4.744 10.634 102 H THR 31 H THR 31 -6.623 0.357 7.838 103 HA THR 31 HA THR 31 -9.193 -0.805 8.627 104 HB THR 31 HB THR 31 -8.619 1.932 7.465 105 HG1 THR 31 HG1 THR 31 -7.922 1.044 9.814 106 HG21 THR 31 HG21 THR 31 -11.027 0.842 8.930 107 HG22 THR 31 HG22 THR 31 -10.942 1.209 7.207 108 HG23 THR 31 HG23 THR 31 -10.818 2.509 8.392 109 H VAL 32 H VAL 32 -10.692 -1.476 7.116 110 HA VAL 32 HA VAL 32 -9.742 -1.921 4.402 111 HB VAL 32 HB VAL 32 -12.405 -2.599 5.676 112 HG11 VAL 32 HG11 VAL 32 -12.667 -2.246 3.292 113 HG12 VAL 32 HG12 VAL 32 -12.785 -3.966 3.660 114 HG13 VAL 32 HG13 VAL 32 -11.304 -3.314 2.958 115 HG21 VAL 32 HG21 VAL 32 -10.572 -3.920 6.584 116 HG22 VAL 32 HG22 VAL 32 -10.072 -4.361 4.951 117 HG23 VAL 32 HG23 VAL 32 -11.625 -4.912 5.576 118 H THR 33 H THR 33 -9.696 0.017 3.329 119 HA THR 33 HA THR 33 -12.247 1.449 3.225 120 HB THR 33 HB THR 33 -10.814 3.364 2.395 121 HG1 THR 33 HG1 THR 33 -8.962 1.752 2.066 122 HG21 THR 33 HG21 THR 33 -10.321 2.298 5.177 123 HG22 THR 33 HG22 THR 33 -11.679 3.302 4.667 124 HG23 THR 33 HG23 THR 33 -10.042 3.959 4.658 125 H THR 34 H THR 34 -13.183 1.954 1.352 126 HA THR 34 HA THR 34 -12.179 0.702 -1.081 127 HB THR 34 HB THR 34 -14.505 0.364 -0.889 128 HG1 THR 34 HG1 THR 34 -14.212 2.672 -2.537 129 HG21 THR 34 HG21 THR 34 -14.792 3.294 -0.241 130 HG22 THR 34 HG22 THR 34 -14.951 1.953 0.892 131 HG23 THR 34 HG23 THR 34 -16.119 2.142 -0.418 132 H CYS 35 H CYS 35 -10.870 1.847 -2.333 133 HA CYS 35 HA CYS 35 -10.338 4.602 -1.529 134 HB2 CYS 35 HB2 CYS 35 -8.727 3.002 -3.505 135 HB3 CYS 35 HB3 CYS 35 -8.193 4.285 -2.429 136 H ALA 36 H ALA 36 -9.619 6.029 -3.481 137 HA ALA 36 HA ALA 36 -11.976 6.413 -5.062 138 HB1 ALA 36 HB1 ALA 36 -10.650 8.311 -4.274 139 HB2 ALA 36 HB2 ALA 36 -10.763 8.286 -6.034 140 HB3 ALA 36 HB3 ALA 36 -9.279 7.754 -5.238 141 H GLU 37 H GLU 37 -11.739 6.586 -7.533 142 HA GLU 37 HA GLU 37 -11.109 3.844 -8.153 143 HB2 GLU 37 HB2 GLU 37 -12.655 4.002 -9.833 144 HB3 GLU 37 HB3 GLU 37 -13.262 5.155 -8.665 145 HG2 GLU 37 HG2 GLU 37 -12.688 6.976 -9.952 146 HG3 GLU 37 HG3 GLU 37 -11.503 6.061 -10.891 147 H GLU 38 H GLU 38 -9.498 6.742 -8.516 148 HA GLU 38 HA GLU 38 -8.201 6.080 -11.034 149 HB2 GLU 38 HB2 GLU 38 -7.062 8.107 -10.915 150 HB3 GLU 38 HB3 GLU 38 -8.661 8.468 -10.278 151 HG2 GLU 38 HG2 GLU 38 -6.306 7.794 -8.590 152 HG3 GLU 38 HG3 GLU 38 -6.754 9.445 -9.012 153 H GLN 39 H GLN 39 -7.663 5.947 -7.604 154 HA GLN 39 HA GLN 39 -5.088 4.790 -7.881 155 HB2 GLN 39 HB2 GLN 39 -6.967 5.233 -5.573 156 HB3 GLN 39 HB3 GLN 39 -5.441 4.381 -5.363 157 HG2 GLN 39 HG2 GLN 39 -4.179 6.266 -5.929 158 HG3 GLN 39 HG3 GLN 39 -5.560 7.087 -6.644 159 HE21 GLN 39 HE21 GLN 39 -7.378 6.567 -4.560 160 HE22 GLN 39 HE22 GLN 39 -6.894 7.537 -3.207 161 H THR 40 H THR 40 -5.505 3.031 -9.261 162 HA THR 40 HA THR 40 -7.118 0.879 -8.280 163 HB THR 40 HB THR 40 -6.216 -0.166 -10.510 164 HG1 THR 40 HG1 THR 40 -5.962 2.308 -11.576 165 HG21 THR 40 HG21 THR 40 -7.949 1.034 -11.754 166 HG22 THR 40 HG22 THR 40 -8.012 2.263 -10.491 167 HG23 THR 40 HG23 THR 40 -8.515 0.611 -10.138 168 H ARG 41 H ARG 41 -4.253 1.611 -7.209 169 HA ARG 41 HA ARG 41 -3.421 -1.169 -7.137 170 HB2 ARG 41 HB2 ARG 41 -1.408 1.102 -7.241 171 HB3 ARG 41 HB3 ARG 41 -1.054 -0.563 -6.858 172 HG2 ARG 41 HG2 ARG 41 -2.312 0.189 -9.452 173 HG3 ARG 41 HG3 ARG 41 -0.564 0.175 -9.210 174 HD2 ARG 41 HD2 ARG 41 -0.750 -2.182 -8.458 175 HD3 ARG 41 HD3 ARG 41 -2.461 -2.140 -8.884 176 HE ARG 41 HE ARG 41 -1.830 -1.896 -11.180 177 HH11 ARG 41 HH11 ARG 41 0.807 -2.648 -8.998 178 HH12 ARG 41 HH12 ARG 41 1.834 -3.266 -10.248 179 HH21 ARG 41 HH21 ARG 41 -0.475 -2.721 -12.835 180 HH22 ARG 41 HH22 ARG 41 1.102 -3.312 -12.434 181 H CYS 42 H CYS 42 -1.488 -0.855 -5.179 182 HA CYS 42 HA CYS 42 -2.936 0.198 -2.979 183 HB2 CYS 42 HB2 CYS 42 -2.533 -2.806 -3.052 184 HB3 CYS 42 HB3 CYS 42 -3.085 -1.880 -1.664 185 H LEU 43 H LEU 43 -1.524 0.681 -1.348 186 HA LEU 43 HA LEU 43 1.284 0.171 -2.058 187 HB2 LEU 43 HB2 LEU 43 0.379 2.525 -2.090 188 HB3 LEU 43 HB3 LEU 43 0.181 2.393 -0.352 189 HG LEU 43 HG LEU 43 2.281 3.561 -1.406 190 HD11 LEU 43 HD11 LEU 43 1.863 3.396 0.927 191 HD12 LEU 43 HD12 LEU 43 3.546 2.984 0.598 192 HD13 LEU 43 HD13 LEU 43 2.377 1.709 0.944 193 HD21 LEU 43 HD21 LEU 43 2.997 1.667 -2.767 194 HD22 LEU 43 HD22 LEU 43 3.146 0.673 -1.318 195 HD23 LEU 43 HD23 LEU 43 4.208 2.061 -1.547 196 H PHE 44 H PHE 44 2.349 -1.140 -0.755 197 HA PHE 44 HA PHE 44 1.871 -0.953 2.129 198 HB2 PHE 44 HB2 PHE 44 0.710 -2.951 1.587 199 HB3 PHE 44 HB3 PHE 44 1.961 -3.467 0.461 200 HD1 PHE 44 HD1 PHE 44 1.277 -2.915 4.077 201 HD2 PHE 44 HD2 PHE 44 3.698 -4.826 1.154 202 HE1 PHE 44 HE1 PHE 44 2.353 -4.254 5.842 203 HE2 PHE 44 HE2 PHE 44 4.776 -6.161 2.903 204 HZ PHE 44 HZ PHE 44 4.112 -5.885 5.246 205 H VAL 45 H VAL 45 3.700 -0.404 3.092 206 HA VAL 45 HA VAL 45 6.226 -1.165 1.789 207 HB VAL 45 HB VAL 45 5.834 1.031 3.832 208 HG11 VAL 45 HG11 VAL 45 8.130 1.664 3.224 209 HG12 VAL 45 HG12 VAL 45 8.230 0.249 2.177 210 HG13 VAL 45 HG13 VAL 45 8.048 0.045 3.919 211 HG21 VAL 45 HG21 VAL 45 6.253 1.236 0.849 212 HG22 VAL 45 HG22 VAL 45 6.232 2.590 1.978 213 HG23 VAL 45 HG23 VAL 45 4.772 1.636 1.721 214 H GLN 46 H GLN 46 7.606 -2.413 2.910 215 HA GLN 46 HA GLN 46 6.518 -3.697 5.312 216 HB2 GLN 46 HB2 GLN 46 6.924 -5.439 3.879 217 HB3 GLN 46 HB3 GLN 46 8.192 -4.581 3.022 218 HG2 GLN 46 HG2 GLN 46 9.321 -6.298 4.044 219 HG3 GLN 46 HG3 GLN 46 9.588 -4.952 5.122 220 HE21 GLN 46 HE21 GLN 46 6.778 -5.202 6.155 221 HE22 GLN 46 HE22 GLN 46 6.826 -6.549 7.228 222 H LEU 47 H LEU 47 7.383 -3.073 7.192 223 HA LEU 47 HA LEU 47 10.061 -1.851 7.162 224 HB2 LEU 47 HB2 LEU 47 7.690 -1.184 8.909 225 HB3 LEU 47 HB3 LEU 47 9.324 -0.705 9.312 226 HG LEU 47 HG LEU 47 8.206 1.165 8.361 227 HD11 LEU 47 HD11 LEU 47 9.619 1.672 6.432 228 HD12 LEU 47 HD12 LEU 47 10.082 -0.026 6.334 229 HD13 LEU 47 HD13 LEU 47 10.534 0.931 7.745 230 HD21 LEU 47 HD21 LEU 47 7.576 -0.570 5.987 231 HD22 LEU 47 HD22 LEU 47 7.251 1.159 6.116 232 HD23 LEU 47 HD23 LEU 47 6.425 0.024 7.184 233 HA PRO 48 HA PRO 48 11.115 -5.080 9.984 234 HB2 PRO 48 HB2 PRO 48 13.294 -4.036 11.166 235 HB3 PRO 48 HB3 PRO 48 13.286 -4.511 9.466 236 HG2 PRO 48 HG2 PRO 48 13.080 -1.796 10.676 237 HG3 PRO 48 HG3 PRO 48 13.919 -2.311 9.204 238 HD2 PRO 48 HD2 PRO 48 11.439 -1.082 9.278 239 HD3 PRO 48 HD3 PRO 48 12.054 -2.046 7.925 240 H TYR 49 H TYR 49 9.030 -3.285 11.013 241 HA TYR 49 HA TYR 49 9.079 -3.731 13.683 242 HB2 TYR 49 HB2 TYR 49 9.428 -1.482 14.696 243 HB3 TYR 49 HB3 TYR 49 10.889 -2.157 13.989 244 HD1 TYR 49 HD1 TYR 49 11.753 -1.239 11.845 245 HD2 TYR 49 HD2 TYR 49 8.492 0.563 13.894 246 HE1 TYR 49 HE1 TYR 49 12.072 0.813 10.533 247 HE2 TYR 49 HE2 TYR 49 8.799 2.621 12.586 248 HH TYR 49 HH TYR 49 10.592 3.754 11.325 249 H SER 50 H SER 50 7.952 -1.854 11.027 250 HA SER 50 HA SER 50 5.244 -1.998 12.073 251 HB2 SER 50 HB2 SER 50 6.472 0.612 11.130 252 HB3 SER 50 HB3 SER 50 4.786 0.373 11.591 253 HG SER 50 HG SER 50 6.189 -0.527 13.600 254 H GLU 51 H GLU 51 3.970 -0.552 10.044 255 HA GLU 51 HA GLU 51 5.124 -1.330 7.486 256 HB2 GLU 51 HB2 GLU 51 3.092 -2.609 6.875 257 HB3 GLU 51 HB3 GLU 51 3.958 -3.340 8.222 258 HG2 GLU 51 HG2 GLU 51 2.358 -2.239 9.769 259 HG3 GLU 51 HG3 GLU 51 1.451 -1.683 8.364 260 H ILE 52 H ILE 52 3.983 -0.441 5.664 261 HA ILE 52 HA ILE 52 2.357 1.915 6.381 262 HB ILE 52 HB ILE 52 4.197 1.725 3.987 263 HG12 ILE 52 HG12 ILE 52 4.522 3.228 6.578 264 HG13 ILE 52 HG13 ILE 52 5.484 1.861 6.051 265 HG21 ILE 52 HG21 ILE 52 2.240 3.137 3.622 266 HG22 ILE 52 HG22 ILE 52 3.707 4.111 3.719 267 HG23 ILE 52 HG23 ILE 52 2.605 4.040 5.093 268 HD11 ILE 52 HD11 ILE 52 6.370 3.181 4.209 269 HD12 ILE 52 HD12 ILE 52 6.676 3.962 5.762 270 HD13 ILE 52 HD13 ILE 52 5.386 4.554 4.715 271 H GLN 53 H GLN 53 0.596 2.326 4.895 272 HA GLN 53 HA GLN 53 0.012 0.382 2.959 273 HB2 GLN 53 HB2 GLN 53 -1.859 0.442 5.341 274 HB3 GLN 53 HB3 GLN 53 -2.064 -0.508 3.877 275 HG2 GLN 53 HG2 GLN 53 -0.090 -1.819 4.443 276 HG3 GLN 53 HG3 GLN 53 0.138 -0.857 5.901 277 HE21 GLN 53 HE21 GLN 53 -1.701 -3.339 4.358 278 HE22 GLN 53 HE22 GLN 53 -2.584 -3.840 5.757 279 H GLU 54 H GLU 54 -1.079 1.438 1.422 280 HA GLU 54 HA GLU 54 -2.988 3.532 2.098 281 HB2 GLU 54 HB2 GLU 54 -0.755 4.139 0.155 282 HB3 GLU 54 HB3 GLU 54 -1.976 5.242 0.761 283 HG2 GLU 54 HG2 GLU 54 -0.898 4.932 3.045 284 HG3 GLU 54 HG3 GLU 54 0.429 4.154 2.173 285 H CYS 55 H CYS 55 -3.813 4.476 -0.086 286 HA CYS 55 HA CYS 55 -3.953 2.336 -2.113 287 HB2 CYS 55 HB2 CYS 55 -5.923 4.615 -2.015 288 HB3 CYS 55 HB3 CYS 55 -6.089 3.041 -2.776 289 H LYS 56 H LYS 56 -3.203 2.962 -4.142 290 HA LYS 56 HA LYS 56 -2.329 5.713 -4.410 291 HB2 LYS 56 HB2 LYS 56 -0.411 3.377 -4.654 292 HB3 LYS 56 HB3 LYS 56 -0.025 5.032 -5.062 293 HG2 LYS 56 HG2 LYS 56 -0.865 4.230 -2.313 294 HG3 LYS 56 HG3 LYS 56 0.810 4.163 -2.856 295 HD2 LYS 56 HD2 LYS 56 0.657 6.584 -3.421 296 HD3 LYS 56 HD3 LYS 56 -0.957 6.602 -2.698 297 HE2 LYS 56 HE2 LYS 56 -0.008 5.820 -0.586 298 HE3 LYS 56 HE3 LYS 56 1.597 5.827 -1.301 299 HZ1 LYS 56 HZ1 LYS 56 -0.125 8.218 -0.959 300 HZ2 LYS 56 HZ2 LYS 56 1.463 8.207 -1.546 301 HZ3 LYS 56 HZ3 LYS 56 1.147 7.781 0.067 302 H THR 57 H THR 57 -1.917 6.244 -6.663 303 HA THR 57 HA THR 57 -3.466 4.642 -8.515 304 HB THR 57 HB THR 57 -2.841 6.239 -10.215 305 HG1 THR 57 HG1 THR 57 -1.463 8.106 -9.123 306 HG21 THR 57 HG21 THR 57 -3.687 8.329 -9.274 307 HG22 THR 57 HG22 THR 57 -3.432 7.703 -7.645 308 HG23 THR 57 HG23 THR 57 -4.626 6.949 -8.702 309 H VAL 58 H VAL 58 -2.488 3.457 -10.250 310 HA VAL 58 HA VAL 58 -0.439 1.864 -9.651 311 HB VAL 58 HB VAL 58 -0.778 2.865 -12.505 312 HG11 VAL 58 HG11 VAL 58 1.142 1.424 -12.171 313 HG12 VAL 58 HG12 VAL 58 -0.094 0.596 -13.119 314 HG13 VAL 58 HG13 VAL 58 0.117 0.205 -11.412 315 HG21 VAL 58 HG21 VAL 58 -2.975 2.304 -11.559 316 HG22 VAL 58 HG22 VAL 58 -2.370 0.703 -11.138 317 HG23 VAL 58 HG23 VAL 58 -2.489 1.182 -12.828 318 H GLN 59 H GLN 59 -0.097 4.981 -11.366 319 HA GLN 59 HA GLN 59 2.712 4.840 -11.764 320 HB2 GLN 59 HB2 GLN 59 1.555 6.375 -13.140 321 HB3 GLN 59 HB3 GLN 59 0.745 7.118 -11.765 322 HG2 GLN 59 HG2 GLN 59 2.945 7.957 -10.976 323 HG3 GLN 59 HG3 GLN 59 3.669 7.322 -12.458 324 HE21 GLN 59 HE21 GLN 59 3.591 10.052 -11.524 325 HE22 GLN 59 HE22 GLN 59 2.756 10.959 -12.747 326 H GLN 60 H GLN 60 0.763 6.716 -9.451 327 HA GLN 60 HA GLN 60 2.901 7.877 -8.065 328 HB2 GLN 60 HB2 GLN 60 0.122 7.957 -7.941 329 HB3 GLN 60 HB3 GLN 60 0.567 7.255 -6.396 330 HG2 GLN 60 HG2 GLN 60 1.638 9.854 -7.469 331 HG3 GLN 60 HG3 GLN 60 0.291 9.705 -6.343 332 HE21 GLN 60 HE21 GLN 60 3.709 9.507 -6.778 333 HE22 GLN 60 HE22 GLN 60 4.122 9.392 -5.092 334 H CYS 61 H CYS 61 1.299 4.797 -7.720 335 HA CYS 61 HA CYS 61 2.514 4.081 -5.246 336 HB2 CYS 61 HB2 CYS 61 0.411 3.157 -6.551 337 HB3 CYS 61 HB3 CYS 61 1.583 2.076 -7.279 338 H ALA 62 H ALA 62 3.471 3.784 -8.620 339 HA ALA 62 HA ALA 62 5.685 1.988 -8.081 340 HB1 ALA 62 HB1 ALA 62 6.380 2.518 -10.381 341 HB2 ALA 62 HB2 ALA 62 5.087 3.713 -10.489 342 HB3 ALA 62 HB3 ALA 62 4.695 2.003 -10.308 343 H GLU 63 H GLU 63 5.103 5.425 -8.532 344 HA GLU 63 HA GLU 63 7.643 6.448 -8.244 345 HB2 GLU 63 HB2 GLU 63 4.964 7.502 -7.328 346 HB3 GLU 63 HB3 GLU 63 6.417 8.471 -7.323 347 HG2 GLU 63 HG2 GLU 63 6.610 8.240 -9.733 348 HG3 GLU 63 HG3 GLU 63 5.181 7.206 -9.750 349 H VAL 64 H VAL 64 5.237 6.139 -5.629 350 HA VAL 64 HA VAL 64 6.934 6.560 -3.579 351 HB VAL 64 HB VAL 64 5.115 5.771 -2.242 352 HG11 VAL 64 HG11 VAL 64 3.321 7.160 -3.062 353 HG12 VAL 64 HG12 VAL 64 4.083 7.177 -4.658 354 HG13 VAL 64 HG13 VAL 64 4.884 7.948 -3.282 355 HG21 VAL 64 HG21 VAL 64 4.178 4.510 -4.718 356 HG22 VAL 64 HG22 VAL 64 3.111 4.800 -3.341 357 HG23 VAL 64 HG23 VAL 64 4.521 3.752 -3.166 358 H LEU 65 H LEU 65 6.094 3.478 -5.126 359 HA LEU 65 HA LEU 65 7.311 1.777 -3.386 360 HB2 LEU 65 HB2 LEU 65 6.201 1.437 -5.793 361 HB3 LEU 65 HB3 LEU 65 7.882 1.344 -6.276 362 HG LEU 65 HG LEU 65 7.077 -0.872 -5.930 363 HD11 LEU 65 HD11 LEU 65 8.802 -0.087 -3.627 364 HD12 LEU 65 HD12 LEU 65 9.337 -0.559 -5.240 365 HD13 LEU 65 HD13 LEU 65 8.534 -1.734 -4.198 366 HD21 LEU 65 HD21 LEU 65 6.147 -1.627 -3.801 367 HD22 LEU 65 HD22 LEU 65 5.156 -0.379 -4.556 368 HD23 LEU 65 HD23 LEU 65 6.213 0.031 -3.205 369 H GLU 66 H GLU 66 8.856 3.472 -6.103 370 HA GLU 66 HA GLU 66 11.388 2.489 -5.441 371 HB2 GLU 66 HB2 GLU 66 10.668 3.246 -7.721 372 HB3 GLU 66 HB3 GLU 66 10.825 4.903 -7.149 373 HG2 GLU 66 HG2 GLU 66 12.785 4.214 -8.408 374 HG3 GLU 66 HG3 GLU 66 13.193 4.547 -6.725 375 H GLU 67 H GLU 67 9.695 5.248 -4.245 376 HA GLU 67 HA GLU 67 12.004 6.810 -3.628 377 HB2 GLU 67 HB2 GLU 67 10.490 8.170 -2.328 378 HB3 GLU 67 HB3 GLU 67 9.745 7.788 -3.882 379 HG2 GLU 67 HG2 GLU 67 8.506 6.041 -2.911 380 HG3 GLU 67 HG3 GLU 67 9.257 6.329 -1.353 381 H VAL 68 H VAL 68 9.851 4.618 -1.827 382 HA VAL 68 HA VAL 68 11.521 4.573 0.445 383 HB VAL 68 HB VAL 68 10.101 2.713 1.240 384 HG11 VAL 68 HG11 VAL 68 7.983 3.953 1.273 385 HG12 VAL 68 HG12 VAL 68 8.591 5.005 -0.005 386 HG13 VAL 68 HG13 VAL 68 9.371 4.998 1.576 387 HG21 VAL 68 HG21 VAL 68 9.731 1.525 -0.862 388 HG22 VAL 68 HG22 VAL 68 8.799 2.883 -1.488 389 HG23 VAL 68 HG23 VAL 68 8.190 1.952 -0.120 390 H THR 69 H THR 69 11.283 2.430 -2.333 391 HA THR 69 HA THR 69 12.789 0.354 -1.099 392 HB THR 69 HB THR 69 11.891 0.725 -3.954 393 HG1 THR 69 HG1 THR 69 10.123 0.409 -2.764 394 HG21 THR 69 HG21 THR 69 12.253 -1.672 -4.235 395 HG22 THR 69 HG22 THR 69 12.965 -1.760 -2.622 396 HG23 THR 69 HG23 THR 69 13.773 -0.842 -3.893 397 H ALA 70 H ALA 70 13.637 2.942 -3.396 398 HA ALA 70 HA ALA 70 16.246 2.211 -3.747 399 HB1 ALA 70 HB1 ALA 70 15.148 4.064 -4.941 400 HB2 ALA 70 HB2 ALA 70 16.720 4.529 -4.291 401 HB3 ALA 70 HB3 ALA 70 15.243 5.044 -3.477 402 H ILE 71 H ILE 71 14.766 3.276 -0.873 403 HA ILE 71 HA ILE 71 17.202 4.211 0.415 404 HB ILE 71 HB ILE 71 14.646 3.502 1.846 405 HG12 ILE 71 HG12 ILE 71 15.269 6.149 0.517 406 HG13 ILE 71 HG13 ILE 71 14.067 4.995 -0.040 407 HG21 ILE 71 HG21 ILE 71 15.399 5.231 3.412 408 HG22 ILE 71 HG22 ILE 71 16.821 5.516 2.408 409 HG23 ILE 71 HG23 ILE 71 16.607 3.961 3.215 410 HD11 ILE 71 HD11 ILE 71 14.024 6.468 2.584 411 HD12 ILE 71 HD12 ILE 71 12.823 5.298 2.040 412 HD13 ILE 71 HD13 ILE 71 13.030 6.817 1.168 413 H GLY 72 H GLY 72 15.716 1.253 -0.302 414 HA2 GLY 72 HA2 GLY 72 16.684 -0.795 0.272 415 HA3 GLY 72 HA3 GLY 72 17.261 -0.085 1.773 416 H TYR 73 H TYR 73 14.052 0.752 1.279 417 HA TYR 73 HA TYR 73 13.255 -1.130 3.363 418 HB2 TYR 73 HB2 TYR 73 11.985 1.395 2.305 419 HB3 TYR 73 HB3 TYR 73 11.196 0.321 3.445 420 HD1 TYR 73 HD1 TYR 73 12.747 -0.277 5.564 421 HD2 TYR 73 HD2 TYR 73 13.064 3.231 3.178 422 HE1 TYR 73 HE1 TYR 73 13.848 0.885 7.431 423 HE2 TYR 73 HE2 TYR 73 14.168 4.402 5.037 424 HH TYR 73 HH TYR 73 15.379 2.807 7.757 425 HA PRO 74 HA PRO 74 11.293 -3.768 0.311 426 HB2 PRO 74 HB2 PRO 74 9.766 -4.443 2.792 427 HB3 PRO 74 HB3 PRO 74 10.512 -5.524 1.626 428 HG2 PRO 74 HG2 PRO 74 11.703 -5.170 3.910 429 HG3 PRO 74 HG3 PRO 74 12.667 -5.093 2.417 430 HD2 PRO 74 HD2 PRO 74 11.618 -2.842 4.098 431 HD3 PRO 74 HD3 PRO 74 13.224 -3.069 3.390 432 H ALA 75 H ALA 75 9.728 -2.829 -1.037 433 HA ALA 75 HA ALA 75 7.104 -2.484 0.255 434 HB1 ALA 75 HB1 ALA 75 8.361 -0.734 -1.852 435 HB2 ALA 75 HB2 ALA 75 8.166 -0.332 -0.146 436 HB3 ALA 75 HB3 ALA 75 6.746 -0.536 -1.171 437 H LYS 76 H LYS 76 5.257 -2.621 -1.136 438 HA LYS 76 HA LYS 76 5.642 -3.878 -3.723 439 HB2 LYS 76 HB2 LYS 76 3.638 -5.460 -3.037 440 HB3 LYS 76 HB3 LYS 76 5.294 -5.939 -2.786 441 HG2 LYS 76 HG2 LYS 76 3.768 -4.561 -0.621 442 HG3 LYS 76 HG3 LYS 76 3.559 -6.289 -0.907 443 HD2 LYS 76 HD2 LYS 76 6.195 -4.930 -0.341 444 HD3 LYS 76 HD3 LYS 76 5.220 -5.773 0.862 445 HE2 LYS 76 HE2 LYS 76 5.413 -7.832 -0.546 446 HE3 LYS 76 HE3 LYS 76 6.547 -6.954 -1.574 447 HZ1 LYS 76 HZ1 LYS 76 7.971 -6.639 0.376 448 HZ2 LYS 76 HZ2 LYS 76 7.726 -8.276 0.045 449 HZ3 LYS 76 HZ3 LYS 76 6.892 -7.541 1.327 450 H CYS 77 H CYS 77 3.968 -3.503 -5.142 451 HA CYS 77 HA CYS 77 1.470 -2.406 -4.078 452 HB2 CYS 77 HB2 CYS 77 2.933 -0.524 -4.805 453 HB3 CYS 77 HB3 CYS 77 2.950 -1.201 -6.426 454 H CYS 78 H CYS 78 0.665 -4.555 -4.607 455 HA CYS 78 HA CYS 78 0.366 -5.028 -7.433 456 HB2 CYS 78 HB2 CYS 78 -0.791 -7.142 -6.550 457 HB3 CYS 78 HB3 CYS 78 0.922 -6.947 -6.191 458 H CYS 79 H CYS 79 -1.983 -6.061 -8.001 459 HA CYS 79 HA CYS 79 -3.791 -3.829 -7.420 460 HB2 CYS 79 HB2 CYS 79 -2.854 -3.650 -9.724 461 HB3 CYS 79 HB3 CYS 79 -3.522 -5.234 -10.086 462 HG CYS 79 HG CYS 79 -5.431 -2.530 -9.210 463 H GLU 80 H GLU 80 -5.182 -4.732 -6.089 464 HA GLU 80 HA GLU 80 -7.214 -6.439 -6.804 465 HB2 GLU 80 HB2 GLU 80 -5.491 -8.219 -6.958 466 HB3 GLU 80 HB3 GLU 80 -5.009 -7.893 -5.299 467 HG2 GLU 80 HG2 GLU 80 -6.406 -9.888 -5.484 468 HG3 GLU 80 HG3 GLU 80 -7.162 -8.641 -4.492 469 H ASP 81 H ASP 81 -8.603 -6.907 -4.869 470 HA ASP 81 HA ASP 81 -8.441 -4.747 -2.974 471 HB2 ASP 81 HB2 ASP 81 -10.111 -7.269 -2.947 472 HB3 ASP 81 HB3 ASP 81 -10.141 -6.080 -1.655 473 H LEU 82 H LEU 82 -7.628 -4.732 -0.984 474 HA LEU 82 HA LEU 82 -6.494 -5.336 0.887 475 HB2 LEU 82 HB2 LEU 82 -7.289 -8.182 0.271 476 HB3 LEU 82 HB3 LEU 82 -6.900 -7.500 1.833 477 HG LEU 82 HG LEU 82 -9.128 -7.529 2.088 478 HD11 LEU 82 HD11 LEU 82 -8.683 -5.166 2.111 479 HD12 LEU 82 HD12 LEU 82 -10.298 -5.495 1.485 480 HD13 LEU 82 HD13 LEU 82 -8.990 -5.080 0.377 481 HD21 LEU 82 HD21 LEU 82 -9.370 -7.511 -0.876 482 HD22 LEU 82 HD22 LEU 82 -10.763 -7.436 0.203 483 HD23 LEU 82 HD23 LEU 82 -9.685 -8.831 0.247 484 H CYS 83 H CYS 83 -5.333 -5.856 -2.003 485 HA CYS 83 HA CYS 83 -3.409 -7.841 -1.614 486 HB2 CYS 83 HB2 CYS 83 -4.321 -6.791 -3.808 487 HB3 CYS 83 HB3 CYS 83 -3.025 -5.617 -3.599 488 H ASN 84 H ASN 84 -3.456 -4.935 -0.100 489 HA ASN 84 HA ASN 84 -0.526 -4.711 -0.125 490 HB2 ASN 84 HB2 ASN 84 -0.703 -2.419 0.594 491 HB3 ASN 84 HB3 ASN 84 -1.670 -2.633 -0.858 492 HD21 ASN 84 HD21 ASN 84 -1.780 -0.632 1.242 493 HD22 ASN 84 HD22 ASN 84 -3.398 -0.668 1.866 494 H ARG 85 H ARG 85 -1.678 -6.731 1.295 495 HA ARG 85 HA ARG 85 -1.995 -5.792 4.055 496 HB2 ARG 85 HB2 ARG 85 -3.045 -7.790 4.608 497 HB3 ARG 85 HB3 ARG 85 -3.639 -7.485 2.988 498 HG2 ARG 85 HG2 ARG 85 -1.372 -9.362 3.629 499 HG3 ARG 85 HG3 ARG 85 -3.052 -9.856 3.464 500 HD2 ARG 85 HD2 ARG 85 -2.242 -10.320 1.364 501 HD3 ARG 85 HD3 ARG 85 -2.863 -8.687 1.133 502 HE ARG 85 HE ARG 85 -0.205 -8.427 1.888 503 HH11 ARG 85 HH11 ARG 85 -2.003 -9.840 -0.766 504 HH12 ARG 85 HH12 ARG 85 -0.743 -9.584 -1.926 505 HH21 ARG 85 HH21 ARG 85 1.457 -8.098 0.377 506 HH22 ARG 85 HH22 ARG 85 1.239 -8.589 -1.270 507 H SER 86 H SER 86 -0.747 -6.986 5.721 508 HA SER 86 HA SER 86 1.928 -7.200 5.175 509 HB2 SER 86 HB2 SER 86 0.722 -8.802 7.403 510 HB3 SER 86 HB3 SER 86 2.165 -7.783 7.413 511 HG SER 86 HG SER 86 0.925 -5.983 7.558 512 H GLU 87 H GLU 87 3.303 -8.829 4.581 513 HA GLU 87 HA GLU 87 2.060 -11.203 3.426 514 HB2 GLU 87 HB2 GLU 87 5.004 -11.006 3.454 515 HB3 GLU 87 HB3 GLU 87 3.918 -11.407 2.132 516 HG2 GLU 87 HG2 GLU 87 4.715 -9.428 1.362 517 HG3 GLU 87 HG3 GLU 87 3.345 -8.829 2.301 518 H GLN 88 H GLN 88 4.316 -10.252 5.939 519 HA GLN 88 HA GLN 88 5.179 -11.310 7.743 520 HB2 GLN 88 HB2 GLN 88 3.552 -12.278 9.269 521 HB3 GLN 88 HB3 GLN 88 2.929 -10.805 8.542 522 HG2 GLN 88 HG2 GLN 88 1.612 -12.174 6.972 523 HG3 GLN 88 HG3 GLN 88 2.191 -13.624 7.789 524 HE21 GLN 88 HE21 GLN 88 -0.523 -12.599 7.459 525 HE22 GLN 88 HE22 GLN 88 -1.164 -12.432 9.055 Start of MODEL 16 1 H MET 18 H MET 18 -15.436 2.181 -12.118 2 HA MET 18 HA MET 18 -15.940 2.027 -9.751 3 HB2 MET 18 HB2 MET 18 -15.671 -0.373 -9.538 4 HB3 MET 18 HB3 MET 18 -16.120 0.040 -11.189 5 HG2 MET 18 HG2 MET 18 -13.864 -0.244 -11.932 6 HG3 MET 18 HG3 MET 18 -13.321 -0.471 -10.274 7 HE1 MET 18 HE1 MET 18 -14.851 -3.939 -9.345 8 HE2 MET 18 HE2 MET 18 -15.542 -2.349 -9.025 9 HE3 MET 18 HE3 MET 18 -13.810 -2.614 -8.824 10 H ALA 19 H ALA 19 -15.245 1.742 -7.625 11 HA ALA 19 HA ALA 19 -12.592 2.844 -7.200 12 HB1 ALA 19 HB1 ALA 19 -14.798 2.225 -5.239 13 HB2 ALA 19 HB2 ALA 19 -14.508 3.788 -6.005 14 HB3 ALA 19 HB3 ALA 19 -13.317 3.118 -4.889 15 H LEU 20 H LEU 20 -11.168 1.897 -5.520 16 HA LEU 20 HA LEU 20 -11.345 -1.035 -5.502 17 HB2 LEU 20 HB2 LEU 20 -9.590 -0.312 -7.124 18 HB3 LEU 20 HB3 LEU 20 -8.777 0.530 -5.820 19 HG LEU 20 HG LEU 20 -8.483 -1.652 -4.653 20 HD11 LEU 20 HD11 LEU 20 -9.521 -2.806 -7.237 21 HD12 LEU 20 HD12 LEU 20 -10.357 -2.837 -5.685 22 HD13 LEU 20 HD13 LEU 20 -8.841 -3.716 -5.886 23 HD21 LEU 20 HD21 LEU 20 -7.349 -1.504 -7.444 24 HD22 LEU 20 HD22 LEU 20 -6.704 -2.468 -6.114 25 HD23 LEU 20 HD23 LEU 20 -6.693 -0.707 -6.014 26 H LYS 21 H LYS 21 -10.922 -1.929 -3.495 27 HA LYS 21 HA LYS 21 -10.553 0.029 -1.362 28 HB2 LYS 21 HB2 LYS 21 -11.588 -2.798 -1.182 29 HB3 LYS 21 HB3 LYS 21 -11.757 -1.522 0.018 30 HG2 LYS 21 HG2 LYS 21 -13.236 -0.294 -1.388 31 HG3 LYS 21 HG3 LYS 21 -12.935 -1.381 -2.743 32 HD2 LYS 21 HD2 LYS 21 -14.220 -2.176 -0.141 33 HD3 LYS 21 HD3 LYS 21 -15.090 -1.795 -1.625 34 HE2 LYS 21 HE2 LYS 21 -13.140 -4.050 -1.201 35 HE3 LYS 21 HE3 LYS 21 -14.887 -4.188 -1.388 36 HZ1 LYS 21 HZ1 LYS 21 -13.835 -4.732 -3.451 37 HZ2 LYS 21 HZ2 LYS 21 -12.930 -3.307 -3.443 38 HZ3 LYS 21 HZ3 LYS 21 -14.613 -3.240 -3.649 39 H CYS 22 H CYS 22 -8.557 0.158 -0.509 40 HA CYS 22 HA CYS 22 -7.011 -2.335 -0.255 41 HB2 CYS 22 HB2 CYS 22 -5.788 0.432 -0.288 42 HB3 CYS 22 HB3 CYS 22 -4.950 -1.112 -0.351 43 H PHE 23 H PHE 23 -6.094 -2.684 1.854 44 HA PHE 23 HA PHE 23 -7.321 -1.541 4.031 45 HB2 PHE 23 HB2 PHE 23 -4.683 -2.976 3.793 46 HB3 PHE 23 HB3 PHE 23 -5.260 -2.380 5.341 47 HD1 PHE 23 HD1 PHE 23 -8.071 -3.022 5.346 48 HD2 PHE 23 HD2 PHE 23 -4.787 -5.252 3.814 49 HE1 PHE 23 HE1 PHE 23 -9.320 -5.108 5.714 50 HE2 PHE 23 HE2 PHE 23 -6.035 -7.342 4.169 51 HZ PHE 23 HZ PHE 23 -8.304 -7.271 5.123 52 H THR 24 H THR 24 -7.237 0.465 4.795 53 HA THR 24 HA THR 24 -4.748 2.005 4.499 54 HB THR 24 HB THR 24 -7.499 2.978 5.311 55 HG1 THR 24 HG1 THR 24 -7.728 2.918 3.194 56 HG21 THR 24 HG21 THR 24 -5.718 4.290 6.352 57 HG22 THR 24 HG22 THR 24 -6.531 5.225 5.097 58 HG23 THR 24 HG23 THR 24 -4.951 4.510 4.779 59 H ARG 25 H ARG 25 -3.635 2.628 6.350 60 HA ARG 25 HA ARG 25 -4.367 1.031 8.697 61 HB2 ARG 25 HB2 ARG 25 -2.126 0.659 7.786 62 HB3 ARG 25 HB3 ARG 25 -1.749 2.362 7.990 63 HG2 ARG 25 HG2 ARG 25 -1.898 2.155 10.387 64 HG3 ARG 25 HG3 ARG 25 -2.424 0.476 10.238 65 HD2 ARG 25 HD2 ARG 25 -0.281 -0.060 9.142 66 HD3 ARG 25 HD3 ARG 25 0.243 1.604 9.399 67 HE ARG 25 HE ARG 25 -0.072 1.080 11.855 68 HH11 ARG 25 HH11 ARG 25 0.767 -1.334 9.476 69 HH12 ARG 25 HH12 ARG 25 1.512 -2.416 10.623 70 HH21 ARG 25 HH21 ARG 25 0.941 -0.333 13.382 71 HH22 ARG 25 HH22 ARG 25 1.606 -1.833 12.832 72 H ASN 26 H ASN 26 -5.465 2.042 10.197 73 HA ASN 26 HA ASN 26 -5.134 4.934 10.595 74 HB2 ASN 26 HB2 ASN 26 -7.452 4.143 10.448 75 HB3 ASN 26 HB3 ASN 26 -7.160 3.001 11.756 76 HD21 ASN 26 HD21 ASN 26 -8.751 3.870 13.044 77 HD22 ASN 26 HD22 ASN 26 -8.589 5.406 13.817 78 H GLY 27 H GLY 27 -3.068 4.816 11.517 79 HA2 GLY 27 HA2 GLY 27 -1.712 4.907 13.419 80 HA3 GLY 27 HA3 GLY 27 -3.030 4.226 14.367 81 H ASP 28 H ASP 28 -3.535 1.924 13.944 82 HA ASP 28 HA ASP 28 -1.218 0.426 13.024 83 HB2 ASP 28 HB2 ASP 28 -1.201 0.410 15.567 84 HB3 ASP 28 HB3 ASP 28 -2.721 -0.478 15.485 85 H ASP 29 H ASP 29 -4.595 0.356 14.073 86 HA ASP 29 HA ASP 29 -5.473 -1.938 12.963 87 HB2 ASP 29 HB2 ASP 29 -6.995 -0.589 14.237 88 HB3 ASP 29 HB3 ASP 29 -6.911 0.719 13.058 89 H ARG 30 H ARG 30 -6.482 -2.532 10.974 90 HA ARG 30 HA ARG 30 -5.477 -0.967 8.728 91 HB2 ARG 30 HB2 ARG 30 -5.565 -3.993 8.700 92 HB3 ARG 30 HB3 ARG 30 -4.914 -2.932 7.458 93 HG2 ARG 30 HG2 ARG 30 -2.958 -3.526 8.428 94 HG3 ARG 30 HG3 ARG 30 -3.359 -2.177 9.492 95 HD2 ARG 30 HD2 ARG 30 -4.602 -4.029 10.869 96 HD3 ARG 30 HD3 ARG 30 -3.521 -5.118 10.003 97 HE ARG 30 HE ARG 30 -2.815 -3.209 12.071 98 HH11 ARG 30 HH11 ARG 30 -1.600 -5.254 9.490 99 HH12 ARG 30 HH12 ARG 30 0.009 -5.344 10.149 100 HH21 ARG 30 HH21 ARG 30 -0.744 -3.368 12.969 101 HH22 ARG 30 HH22 ARG 30 0.488 -4.279 12.127 102 H THR 31 H THR 31 -7.321 -0.114 8.036 103 HA THR 31 HA THR 31 -9.759 -1.644 8.314 104 HB THR 31 HB THR 31 -9.708 1.210 7.424 105 HG1 THR 31 HG1 THR 31 -9.162 0.343 10.111 106 HG21 THR 31 HG21 THR 31 -11.395 -0.327 9.405 107 HG22 THR 31 HG22 THR 31 -11.848 0.072 7.747 108 HG23 THR 31 HG23 THR 31 -11.635 1.357 8.938 109 H VAL 32 H VAL 32 -11.296 -1.936 6.698 110 HA VAL 32 HA VAL 32 -10.294 -2.059 3.976 111 HB VAL 32 HB VAL 32 -13.055 -2.675 5.061 112 HG11 VAL 32 HG11 VAL 32 -11.844 -3.204 2.351 113 HG12 VAL 32 HG12 VAL 32 -13.159 -2.088 2.717 114 HG13 VAL 32 HG13 VAL 32 -13.397 -3.826 2.906 115 HG21 VAL 32 HG21 VAL 32 -10.786 -4.519 4.328 116 HG22 VAL 32 HG22 VAL 32 -12.416 -5.029 4.766 117 HG23 VAL 32 HG23 VAL 32 -11.400 -4.207 5.951 118 H THR 33 H THR 33 -10.066 0.016 3.192 119 HA THR 33 HA THR 33 -12.520 1.619 3.164 120 HB THR 33 HB THR 33 -10.981 3.529 2.660 121 HG1 THR 33 HG1 THR 33 -9.232 1.915 2.030 122 HG21 THR 33 HG21 THR 33 -10.157 3.751 4.964 123 HG22 THR 33 HG22 THR 33 -10.468 2.037 5.237 124 HG23 THR 33 HG23 THR 33 -11.810 3.137 4.927 125 H THR 34 H THR 34 -13.215 2.579 1.282 126 HA THR 34 HA THR 34 -12.308 1.229 -1.149 127 HB THR 34 HB THR 34 -14.644 0.966 -0.938 128 HG1 THR 34 HG1 THR 34 -14.388 3.260 -2.600 129 HG21 THR 34 HG21 THR 34 -14.978 2.655 0.820 130 HG22 THR 34 HG22 THR 34 -16.200 2.759 -0.450 131 HG23 THR 34 HG23 THR 34 -14.877 3.925 -0.399 132 H CYS 35 H CYS 35 -10.903 2.312 -2.331 133 HA CYS 35 HA CYS 35 -10.724 5.226 -1.994 134 HB2 CYS 35 HB2 CYS 35 -8.587 3.336 -3.009 135 HB3 CYS 35 HB3 CYS 35 -8.410 5.051 -2.679 136 H ALA 36 H ALA 36 -9.818 6.254 -4.159 137 HA ALA 36 HA ALA 36 -12.012 5.807 -5.993 138 HB1 ALA 36 HB1 ALA 36 -9.676 7.706 -6.180 139 HB2 ALA 36 HB2 ALA 36 -11.257 8.087 -5.496 140 HB3 ALA 36 HB3 ALA 36 -11.107 7.705 -7.212 141 H GLU 37 H GLU 37 -11.727 5.246 -8.217 142 HA GLU 37 HA GLU 37 -9.875 3.262 -8.771 143 HB2 GLU 37 HB2 GLU 37 -10.608 3.632 -11.168 144 HB3 GLU 37 HB3 GLU 37 -11.851 3.267 -9.995 145 HG2 GLU 37 HG2 GLU 37 -12.080 5.865 -9.868 146 HG3 GLU 37 HG3 GLU 37 -11.335 5.783 -11.468 147 H GLU 38 H GLU 38 -9.652 6.690 -9.203 148 HA GLU 38 HA GLU 38 -7.337 7.152 -10.434 149 HB2 GLU 38 HB2 GLU 38 -8.232 8.958 -9.202 150 HB3 GLU 38 HB3 GLU 38 -8.259 8.038 -7.705 151 HG2 GLU 38 HG2 GLU 38 -5.722 8.080 -7.808 152 HG3 GLU 38 HG3 GLU 38 -5.903 9.301 -9.069 153 H GLN 39 H GLN 39 -7.703 5.495 -7.370 154 HA GLN 39 HA GLN 39 -4.818 5.017 -7.209 155 HB2 GLN 39 HB2 GLN 39 -6.823 4.624 -4.993 156 HB3 GLN 39 HB3 GLN 39 -5.072 4.778 -4.863 157 HG2 GLN 39 HG2 GLN 39 -5.206 7.092 -5.579 158 HG3 GLN 39 HG3 GLN 39 -6.951 6.949 -5.750 159 HE21 GLN 39 HE21 GLN 39 -5.475 8.774 -4.198 160 HE22 GLN 39 HE22 GLN 39 -5.953 8.554 -2.546 161 H THR 40 H THR 40 -5.481 3.484 -9.001 162 HA THR 40 HA THR 40 -6.857 1.129 -8.250 163 HB THR 40 HB THR 40 -5.435 0.589 -10.596 164 HG1 THR 40 HG1 THR 40 -6.474 3.172 -10.948 165 HG21 THR 40 HG21 THR 40 -7.796 0.090 -10.195 166 HG22 THR 40 HG22 THR 40 -7.596 1.002 -11.691 167 HG23 THR 40 HG23 THR 40 -8.176 1.812 -10.235 168 H ARG 41 H ARG 41 -4.312 1.808 -6.789 169 HA ARG 41 HA ARG 41 -3.188 -0.838 -6.936 170 HB2 ARG 41 HB2 ARG 41 -1.732 0.878 -8.278 171 HB3 ARG 41 HB3 ARG 41 -1.250 1.444 -6.693 172 HG2 ARG 41 HG2 ARG 41 0.356 -0.087 -7.494 173 HG3 ARG 41 HG3 ARG 41 -0.521 -0.856 -6.182 174 HD2 ARG 41 HD2 ARG 41 -0.426 -2.543 -7.776 175 HD3 ARG 41 HD3 ARG 41 -2.010 -1.831 -8.056 176 HE ARG 41 HE ARG 41 -1.065 -0.678 -9.968 177 HH11 ARG 41 HH11 ARG 41 0.943 -3.199 -8.598 178 HH12 ARG 41 HH12 ARG 41 1.696 -3.597 -10.108 179 HH21 ARG 41 HH21 ARG 41 -0.058 -1.216 -11.974 180 HH22 ARG 41 HH22 ARG 41 1.138 -2.466 -12.017 181 H CYS 42 H CYS 42 -1.490 -0.848 -4.935 182 HA CYS 42 HA CYS 42 -2.730 0.465 -2.707 183 HB2 CYS 42 HB2 CYS 42 -2.359 -2.537 -2.547 184 HB3 CYS 42 HB3 CYS 42 -3.090 -1.480 -1.351 185 H LEU 43 H LEU 43 -1.219 0.803 -1.056 186 HA LEU 43 HA LEU 43 1.552 0.214 -1.877 187 HB2 LEU 43 HB2 LEU 43 0.498 2.612 -1.387 188 HB3 LEU 43 HB3 LEU 43 0.891 2.178 0.262 189 HG LEU 43 HG LEU 43 2.635 3.023 -1.937 190 HD11 LEU 43 HD11 LEU 43 2.262 4.366 0.042 191 HD12 LEU 43 HD12 LEU 43 3.958 3.908 -0.104 192 HD13 LEU 43 HD13 LEU 43 2.916 3.079 1.053 193 HD21 LEU 43 HD21 LEU 43 3.354 0.697 -1.801 194 HD22 LEU 43 HD22 LEU 43 3.585 0.868 -0.061 195 HD23 LEU 43 HD23 LEU 43 4.592 1.788 -1.178 196 H PHE 44 H PHE 44 2.376 -1.503 -0.772 197 HA PHE 44 HA PHE 44 2.071 -1.401 2.150 198 HB2 PHE 44 HB2 PHE 44 0.988 -3.391 1.417 199 HB3 PHE 44 HB3 PHE 44 2.285 -3.765 0.283 200 HD1 PHE 44 HD1 PHE 44 1.623 -3.394 3.938 201 HD2 PHE 44 HD2 PHE 44 3.962 -5.197 0.879 202 HE1 PHE 44 HE1 PHE 44 2.778 -4.769 5.627 203 HE2 PHE 44 HE2 PHE 44 5.120 -6.556 2.558 204 HZ PHE 44 HZ PHE 44 4.545 -6.344 4.926 205 H VAL 45 H VAL 45 3.919 -0.636 3.031 206 HA VAL 45 HA VAL 45 6.461 -1.280 1.672 207 HB VAL 45 HB VAL 45 5.984 0.862 3.759 208 HG11 VAL 45 HG11 VAL 45 8.205 1.669 3.120 209 HG12 VAL 45 HG12 VAL 45 8.382 0.301 2.021 210 HG13 VAL 45 HG13 VAL 45 8.266 0.027 3.760 211 HG21 VAL 45 HG21 VAL 45 4.819 1.425 1.696 212 HG22 VAL 45 HG22 VAL 45 6.295 1.146 0.772 213 HG23 VAL 45 HG23 VAL 45 6.217 2.475 1.928 214 H GLN 46 H GLN 46 8.113 -2.293 2.905 215 HA GLN 46 HA GLN 46 7.112 -3.729 5.263 216 HB2 GLN 46 HB2 GLN 46 9.940 -4.041 4.491 217 HB3 GLN 46 HB3 GLN 46 8.804 -5.235 5.067 218 HG2 GLN 46 HG2 GLN 46 8.869 -4.167 2.255 219 HG3 GLN 46 HG3 GLN 46 9.684 -5.604 2.828 220 HE21 GLN 46 HE21 GLN 46 7.629 -6.505 4.564 221 HE22 GLN 46 HE22 GLN 46 6.361 -7.108 3.549 222 H LEU 47 H LEU 47 8.116 -3.463 7.254 223 HA LEU 47 HA LEU 47 9.996 -1.294 7.548 224 HB2 LEU 47 HB2 LEU 47 7.301 -1.250 8.894 225 HB3 LEU 47 HB3 LEU 47 8.685 -0.445 9.592 226 HG LEU 47 HG LEU 47 7.332 1.167 8.477 227 HD11 LEU 47 HD11 LEU 47 8.916 2.100 6.854 228 HD12 LEU 47 HD12 LEU 47 9.791 0.568 6.844 229 HD13 LEU 47 HD13 LEU 47 9.720 1.533 8.319 230 HD21 LEU 47 HD21 LEU 47 6.887 1.075 6.067 231 HD22 LEU 47 HD22 LEU 47 6.106 -0.227 6.965 232 HD23 LEU 47 HD23 LEU 47 7.564 -0.552 6.028 233 HA PRO 48 HA PRO 48 11.329 -4.154 10.713 234 HB2 PRO 48 HB2 PRO 48 12.984 -2.100 11.886 235 HB3 PRO 48 HB3 PRO 48 13.476 -3.482 10.904 236 HG2 PRO 48 HG2 PRO 48 13.655 -0.892 10.069 237 HG3 PRO 48 HG3 PRO 48 13.476 -2.266 8.969 238 HD2 PRO 48 HD2 PRO 48 11.403 -0.339 9.954 239 HD3 PRO 48 HD3 PRO 48 11.627 -1.020 8.327 240 H TYR 49 H TYR 49 9.000 -2.172 11.220 241 HA TYR 49 HA TYR 49 9.082 -2.245 14.090 242 HB2 TYR 49 HB2 TYR 49 8.629 0.409 12.703 243 HB3 TYR 49 HB3 TYR 49 8.458 0.107 14.427 244 HD1 TYR 49 HD1 TYR 49 10.521 -0.496 15.761 245 HD2 TYR 49 HD2 TYR 49 10.722 0.941 11.760 246 HE1 TYR 49 HE1 TYR 49 12.889 0.079 16.092 247 HE2 TYR 49 HE2 TYR 49 13.091 1.519 12.081 248 HH TYR 49 HH TYR 49 14.632 2.022 13.919 249 H SER 50 H SER 50 7.370 -1.355 11.146 250 HA SER 50 HA SER 50 4.939 -2.496 12.151 251 HB2 SER 50 HB2 SER 50 4.973 0.423 11.324 252 HB3 SER 50 HB3 SER 50 3.543 -0.514 11.750 253 HG SER 50 HG SER 50 5.174 -0.815 13.758 254 H GLU 51 H GLU 51 3.215 -1.646 10.094 255 HA GLU 51 HA GLU 51 4.794 -1.924 7.628 256 HB2 GLU 51 HB2 GLU 51 2.006 -3.018 7.883 257 HB3 GLU 51 HB3 GLU 51 3.286 -3.504 6.788 258 HG2 GLU 51 HG2 GLU 51 3.408 -5.279 8.152 259 HG3 GLU 51 HG3 GLU 51 4.400 -4.201 9.133 260 H ILE 52 H ILE 52 4.137 -0.758 5.839 261 HA ILE 52 HA ILE 52 2.256 1.432 6.418 262 HB ILE 52 HB ILE 52 4.290 1.133 4.206 263 HG12 ILE 52 HG12 ILE 52 4.067 3.106 6.473 264 HG13 ILE 52 HG13 ILE 52 5.191 1.761 6.414 265 HG21 ILE 52 HG21 ILE 52 3.613 3.371 3.475 266 HG22 ILE 52 HG22 ILE 52 2.317 3.365 4.670 267 HG23 ILE 52 HG23 ILE 52 2.291 2.213 3.335 268 HD11 ILE 52 HD11 ILE 52 5.150 4.115 4.539 269 HD12 ILE 52 HD12 ILE 52 6.280 2.761 4.471 270 HD13 ILE 52 HD13 ILE 52 6.290 3.850 5.858 271 H GLN 53 H GLN 53 0.344 1.555 5.359 272 HA GLN 53 HA GLN 53 -0.115 -0.042 3.035 273 HB2 GLN 53 HB2 GLN 53 -1.974 -0.416 5.393 274 HB3 GLN 53 HB3 GLN 53 -2.123 -1.161 3.808 275 HG2 GLN 53 HG2 GLN 53 -0.046 -2.405 4.215 276 HG3 GLN 53 HG3 GLN 53 0.055 -1.681 5.819 277 HE21 GLN 53 HE21 GLN 53 -2.901 -1.796 6.065 278 HE22 GLN 53 HE22 GLN 53 -3.255 -3.445 6.439 279 H GLU 54 H GLU 54 -1.315 1.130 1.670 280 HA GLU 54 HA GLU 54 -3.456 2.839 2.405 281 HB2 GLU 54 HB2 GLU 54 -2.274 4.980 1.640 282 HB3 GLU 54 HB3 GLU 54 -1.906 4.396 3.252 283 HG2 GLU 54 HG2 GLU 54 0.163 3.382 2.383 284 HG3 GLU 54 HG3 GLU 54 -0.191 4.070 0.795 285 H CYS 55 H CYS 55 -4.356 3.976 0.511 286 HA CYS 55 HA CYS 55 -3.916 2.480 -1.902 287 HB2 CYS 55 HB2 CYS 55 -5.777 4.800 -1.309 288 HB3 CYS 55 HB3 CYS 55 -5.812 3.847 -2.781 289 H LYS 56 H LYS 56 -3.134 3.159 -3.839 290 HA LYS 56 HA LYS 56 -2.132 5.871 -4.117 291 HB2 LYS 56 HB2 LYS 56 -0.327 3.478 -4.543 292 HB3 LYS 56 HB3 LYS 56 0.090 5.146 -4.890 293 HG2 LYS 56 HG2 LYS 56 -0.530 4.055 -2.158 294 HG3 LYS 56 HG3 LYS 56 1.090 4.281 -2.815 295 HD2 LYS 56 HD2 LYS 56 0.877 6.623 -2.813 296 HD3 LYS 56 HD3 LYS 56 -0.878 6.542 -2.610 297 HE2 LYS 56 HE2 LYS 56 -0.587 5.595 -0.393 298 HE3 LYS 56 HE3 LYS 56 1.158 5.637 -0.583 299 HZ1 LYS 56 HZ1 LYS 56 -0.565 8.046 -0.635 300 HZ2 LYS 56 HZ2 LYS 56 1.127 8.000 -0.576 301 HZ3 LYS 56 HZ3 LYS 56 0.215 7.467 0.755 302 H THR 57 H THR 57 -2.040 6.454 -6.391 303 HA THR 57 HA THR 57 -3.371 4.812 -8.175 304 HB THR 57 HB THR 57 -2.889 6.344 -9.876 305 HG1 THR 57 HG1 THR 57 -0.976 7.849 -9.477 306 HG21 THR 57 HG21 THR 57 -2.511 7.923 -7.331 307 HG22 THR 57 HG22 THR 57 -4.058 7.440 -8.023 308 HG23 THR 57 HG23 THR 57 -3.020 8.573 -8.889 309 H VAL 58 H VAL 58 -2.640 3.445 -9.858 310 HA VAL 58 HA VAL 58 -0.662 1.687 -9.382 311 HB VAL 58 HB VAL 58 -1.600 2.690 -12.090 312 HG11 VAL 58 HG11 VAL 58 0.585 1.655 -12.368 313 HG12 VAL 58 HG12 VAL 58 -0.682 0.636 -13.049 314 HG13 VAL 58 HG13 VAL 58 0.035 0.228 -11.490 315 HG21 VAL 58 HG21 VAL 58 -2.938 0.638 -12.082 316 HG22 VAL 58 HG22 VAL 58 -3.326 1.677 -10.711 317 HG23 VAL 58 HG23 VAL 58 -2.321 0.246 -10.478 318 H GLN 59 H GLN 59 -0.251 4.681 -11.293 319 HA GLN 59 HA GLN 59 2.500 4.216 -11.932 320 HB2 GLN 59 HB2 GLN 59 1.479 5.700 -13.409 321 HB3 GLN 59 HB3 GLN 59 0.652 6.567 -12.122 322 HG2 GLN 59 HG2 GLN 59 2.754 7.561 -11.407 323 HG3 GLN 59 HG3 GLN 59 3.615 6.659 -12.655 324 HE21 GLN 59 HE21 GLN 59 3.491 7.318 -14.770 325 HE22 GLN 59 HE22 GLN 59 2.812 8.834 -15.242 326 H GLN 60 H GLN 60 0.820 6.288 -9.560 327 HA GLN 60 HA GLN 60 3.174 7.532 -8.573 328 HB2 GLN 60 HB2 GLN 60 0.908 8.460 -8.248 329 HB3 GLN 60 HB3 GLN 60 0.496 7.100 -7.218 330 HG2 GLN 60 HG2 GLN 60 2.193 7.801 -5.609 331 HG3 GLN 60 HG3 GLN 60 2.604 9.169 -6.643 332 HE21 GLN 60 HE21 GLN 60 0.220 7.799 -4.520 333 HE22 GLN 60 HE22 GLN 60 -0.709 9.240 -4.304 334 H CYS 61 H CYS 61 1.532 4.525 -7.739 335 HA CYS 61 HA CYS 61 3.005 4.208 -5.269 336 HB2 CYS 61 HB2 CYS 61 0.705 3.144 -5.998 337 HB3 CYS 61 HB3 CYS 61 1.723 1.912 -6.722 338 H ALA 62 H ALA 62 3.453 3.377 -8.655 339 HA ALA 62 HA ALA 62 5.674 1.578 -8.201 340 HB1 ALA 62 HB1 ALA 62 4.894 3.137 -10.669 341 HB2 ALA 62 HB2 ALA 62 4.431 1.474 -10.304 342 HB3 ALA 62 HB3 ALA 62 6.124 1.874 -10.590 343 H GLU 63 H GLU 63 5.213 4.989 -9.015 344 HA GLU 63 HA GLU 63 7.765 5.911 -9.038 345 HB2 GLU 63 HB2 GLU 63 5.314 7.226 -7.877 346 HB3 GLU 63 HB3 GLU 63 6.780 8.074 -8.302 347 HG2 GLU 63 HG2 GLU 63 4.823 6.729 -10.113 348 HG3 GLU 63 HG3 GLU 63 5.310 8.414 -10.068 349 H VAL 64 H VAL 64 5.653 5.970 -6.178 350 HA VAL 64 HA VAL 64 7.550 6.572 -4.358 351 HB VAL 64 HB VAL 64 5.908 6.098 -2.762 352 HG11 VAL 64 HG11 VAL 64 5.427 8.020 -4.098 353 HG12 VAL 64 HG12 VAL 64 3.937 7.233 -3.577 354 HG13 VAL 64 HG13 VAL 64 4.524 7.007 -5.227 355 HG21 VAL 64 HG21 VAL 64 4.716 4.304 -4.753 356 HG22 VAL 64 HG22 VAL 64 3.812 4.879 -3.349 357 HG23 VAL 64 HG23 VAL 64 5.282 3.926 -3.131 358 H LEU 65 H LEU 65 6.558 3.400 -5.538 359 HA LEU 65 HA LEU 65 7.805 1.770 -3.762 360 HB2 LEU 65 HB2 LEU 65 6.636 1.349 -6.132 361 HB3 LEU 65 HB3 LEU 65 8.303 1.207 -6.644 362 HG LEU 65 HG LEU 65 7.812 -0.976 -6.222 363 HD11 LEU 65 HD11 LEU 65 8.649 -1.673 -4.016 364 HD12 LEU 65 HD12 LEU 65 8.742 0.035 -3.581 365 HD13 LEU 65 HD13 LEU 65 9.714 -0.591 -4.911 366 HD21 LEU 65 HD21 LEU 65 6.098 -0.131 -3.907 367 HD22 LEU 65 HD22 LEU 65 6.331 -1.789 -4.461 368 HD23 LEU 65 HD23 LEU 65 5.528 -0.615 -5.505 369 H GLU 66 H GLU 66 9.307 3.377 -6.572 370 HA GLU 66 HA GLU 66 11.839 2.273 -5.937 371 HB2 GLU 66 HB2 GLU 66 11.168 2.840 -8.261 372 HB3 GLU 66 HB3 GLU 66 11.270 4.544 -7.834 373 HG2 GLU 66 HG2 GLU 66 13.631 4.336 -7.392 374 HG3 GLU 66 HG3 GLU 66 13.562 2.599 -7.675 375 H GLU 67 H GLU 67 10.263 5.234 -5.027 376 HA GLU 67 HA GLU 67 12.628 6.713 -4.471 377 HB2 GLU 67 HB2 GLU 67 11.168 8.202 -3.242 378 HB3 GLU 67 HB3 GLU 67 10.408 7.754 -4.770 379 HG2 GLU 67 HG2 GLU 67 9.113 6.112 -3.699 380 HG3 GLU 67 HG3 GLU 67 9.887 6.453 -2.165 381 H VAL 68 H VAL 68 10.412 4.754 -2.478 382 HA VAL 68 HA VAL 68 12.081 4.858 -0.222 383 HB VAL 68 HB VAL 68 10.633 3.109 0.742 384 HG11 VAL 68 HG11 VAL 68 8.530 4.353 0.661 385 HG12 VAL 68 HG12 VAL 68 9.116 5.253 -0.737 386 HG13 VAL 68 HG13 VAL 68 9.916 5.430 0.824 387 HG21 VAL 68 HG21 VAL 68 10.269 1.713 -1.228 388 HG22 VAL 68 HG22 VAL 68 9.341 3.002 -1.992 389 HG23 VAL 68 HG23 VAL 68 8.727 2.218 -0.537 390 H THR 69 H THR 69 11.699 2.385 -2.725 391 HA THR 69 HA THR 69 13.333 0.506 -1.445 392 HB THR 69 HB THR 69 12.421 0.732 -4.309 393 HG1 THR 69 HG1 THR 69 11.274 0.010 -2.002 394 HG21 THR 69 HG21 THR 69 12.969 -1.645 -4.547 395 HG22 THR 69 HG22 THR 69 13.724 -1.633 -2.950 396 HG23 THR 69 HG23 THR 69 14.422 -0.682 -4.261 397 H ALA 70 H ALA 70 14.149 3.143 -3.608 398 HA ALA 70 HA ALA 70 16.810 2.397 -4.004 399 HB1 ALA 70 HB1 ALA 70 15.660 5.184 -3.862 400 HB2 ALA 70 HB2 ALA 70 15.712 4.160 -5.296 401 HB3 ALA 70 HB3 ALA 70 17.211 4.742 -4.572 402 H ILE 71 H ILE 71 15.210 3.687 -1.244 403 HA ILE 71 HA ILE 71 17.645 4.541 0.095 404 HB ILE 71 HB ILE 71 15.008 4.124 1.479 405 HG12 ILE 71 HG12 ILE 71 15.765 6.568 -0.135 406 HG13 ILE 71 HG13 ILE 71 14.534 5.399 -0.585 407 HG21 ILE 71 HG21 ILE 71 16.945 4.672 2.844 408 HG22 ILE 71 HG22 ILE 71 15.788 6.003 2.848 409 HG23 ILE 71 HG23 ILE 71 17.249 6.106 1.863 410 HD11 ILE 71 HD11 ILE 71 13.249 5.993 1.405 411 HD12 ILE 71 HD12 ILE 71 13.538 7.388 0.365 412 HD13 ILE 71 HD13 ILE 71 14.482 7.177 1.840 413 H GLY 72 H GLY 72 15.972 1.662 -0.463 414 HA2 GLY 72 HA2 GLY 72 16.808 -0.394 0.311 415 HA3 GLY 72 HA3 GLY 72 17.275 0.384 1.816 416 H TYR 73 H TYR 73 14.205 1.402 1.022 417 HA TYR 73 HA TYR 73 13.025 -0.518 2.848 418 HB2 TYR 73 HB2 TYR 73 12.040 2.121 1.753 419 HB3 TYR 73 HB3 TYR 73 11.121 1.107 2.850 420 HD1 TYR 73 HD1 TYR 73 12.045 0.663 5.160 421 HD2 TYR 73 HD2 TYR 73 13.685 3.597 2.557 422 HE1 TYR 73 HE1 TYR 73 13.142 1.743 7.079 423 HE2 TYR 73 HE2 TYR 73 14.791 4.683 4.465 424 HH TYR 73 HH TYR 73 14.575 4.840 6.872 425 HA PRO 74 HA PRO 74 11.293 -2.689 -0.754 426 HB2 PRO 74 HB2 PRO 74 10.239 -4.252 1.545 427 HB3 PRO 74 HB3 PRO 74 11.034 -4.817 0.084 428 HG2 PRO 74 HG2 PRO 74 12.347 -4.826 2.366 429 HG3 PRO 74 HG3 PRO 74 13.161 -4.288 0.882 430 HD2 PRO 74 HD2 PRO 74 11.995 -2.643 3.101 431 HD3 PRO 74 HD3 PRO 74 13.529 -2.442 2.234 432 H ALA 75 H ALA 75 9.363 -2.227 -1.669 433 HA ALA 75 HA ALA 75 7.010 -2.073 0.082 434 HB1 ALA 75 HB1 ALA 75 7.743 0.206 -0.512 435 HB2 ALA 75 HB2 ALA 75 6.148 -0.184 -1.153 436 HB3 ALA 75 HB3 ALA 75 7.551 -0.200 -2.217 437 H LYS 76 H LYS 76 5.008 -2.574 -0.962 438 HA LYS 76 HA LYS 76 5.255 -3.993 -3.536 439 HB2 LYS 76 HB2 LYS 76 3.518 -4.850 -1.222 440 HB3 LYS 76 HB3 LYS 76 3.871 -5.750 -2.674 441 HG2 LYS 76 HG2 LYS 76 6.056 -4.991 -0.815 442 HG3 LYS 76 HG3 LYS 76 4.994 -6.346 -0.431 443 HD2 LYS 76 HD2 LYS 76 5.504 -7.269 -2.691 444 HD3 LYS 76 HD3 LYS 76 6.725 -6.004 -2.860 445 HE2 LYS 76 HE2 LYS 76 7.425 -8.298 -2.007 446 HE3 LYS 76 HE3 LYS 76 8.050 -6.884 -1.175 447 HZ1 LYS 76 HZ1 LYS 76 7.244 -8.660 0.331 448 HZ2 LYS 76 HZ2 LYS 76 5.692 -8.463 -0.290 449 HZ3 LYS 76 HZ3 LYS 76 6.430 -7.196 0.551 450 H CYS 77 H CYS 77 4.080 -2.661 -4.930 451 HA CYS 77 HA CYS 77 1.363 -2.049 -4.058 452 HB2 CYS 77 HB2 CYS 77 2.776 -1.028 -6.537 453 HB3 CYS 77 HB3 CYS 77 1.276 -0.440 -5.845 454 H CYS 78 H CYS 78 0.074 -3.775 -4.444 455 HA CYS 78 HA CYS 78 0.229 -5.028 -7.105 456 HB2 CYS 78 HB2 CYS 78 -0.865 -7.011 -5.975 457 HB3 CYS 78 HB3 CYS 78 0.794 -6.678 -5.487 458 H CYS 79 H CYS 79 -2.090 -6.142 -7.568 459 HA CYS 79 HA CYS 79 -3.981 -3.919 -7.257 460 HB2 CYS 79 HB2 CYS 79 -3.800 -5.705 -9.690 461 HB3 CYS 79 HB3 CYS 79 -4.863 -4.325 -9.457 462 HG CYS 79 HG CYS 79 -3.245 -2.473 -10.197 463 H GLU 80 H GLU 80 -5.277 -4.697 -5.728 464 HA GLU 80 HA GLU 80 -7.255 -6.625 -6.289 465 HB2 GLU 80 HB2 GLU 80 -5.292 -8.164 -5.906 466 HB3 GLU 80 HB3 GLU 80 -5.147 -7.500 -4.287 467 HG2 GLU 80 HG2 GLU 80 -7.596 -8.258 -4.002 468 HG3 GLU 80 HG3 GLU 80 -7.280 -9.261 -5.418 469 H ASP 81 H ASP 81 -8.677 -6.856 -4.286 470 HA ASP 81 HA ASP 81 -8.680 -4.337 -2.833 471 HB2 ASP 81 HB2 ASP 81 -10.444 -6.782 -2.573 472 HB3 ASP 81 HB3 ASP 81 -10.517 -5.413 -1.472 473 H LEU 82 H LEU 82 -8.082 -4.144 -0.748 474 HA LEU 82 HA LEU 82 -6.878 -4.538 1.144 475 HB2 LEU 82 HB2 LEU 82 -7.779 -7.403 0.847 476 HB3 LEU 82 HB3 LEU 82 -7.409 -6.548 2.327 477 HG LEU 82 HG LEU 82 -9.654 -6.516 2.486 478 HD11 LEU 82 HD11 LEU 82 -9.119 -4.190 2.392 479 HD12 LEU 82 HD12 LEU 82 -10.703 -4.482 1.673 480 HD13 LEU 82 HD13 LEU 82 -9.304 -4.197 0.638 481 HD21 LEU 82 HD21 LEU 82 -9.784 -6.708 -0.473 482 HD22 LEU 82 HD22 LEU 82 -11.212 -6.469 0.535 483 HD23 LEU 82 HD23 LEU 82 -10.222 -7.915 0.733 484 H CYS 83 H CYS 83 -5.682 -5.215 -1.593 485 HA CYS 83 HA CYS 83 -4.033 -7.377 -1.346 486 HB2 CYS 83 HB2 CYS 83 -4.598 -5.954 -3.421 487 HB3 CYS 83 HB3 CYS 83 -3.195 -4.991 -2.969 488 H ASN 84 H ASN 84 -3.473 -4.180 -0.067 489 HA ASN 84 HA ASN 84 -0.658 -4.765 0.367 490 HB2 ASN 84 HB2 ASN 84 -0.661 -2.583 1.670 491 HB3 ASN 84 HB3 ASN 84 -0.874 -2.470 -0.065 492 HD21 ASN 84 HD21 ASN 84 -3.348 -3.251 2.358 493 HD22 ASN 84 HD22 ASN 84 -4.288 -1.819 2.077 494 H ARG 85 H ARG 85 -0.097 -6.000 2.038 495 HA ARG 85 HA ARG 85 -1.612 -6.094 4.434 496 HB2 ARG 85 HB2 ARG 85 -2.282 -8.525 4.173 497 HB3 ARG 85 HB3 ARG 85 -3.204 -7.373 3.215 498 HG2 ARG 85 HG2 ARG 85 -1.546 -7.928 1.331 499 HG3 ARG 85 HG3 ARG 85 -1.129 -9.334 2.312 500 HD2 ARG 85 HD2 ARG 85 -3.335 -10.187 2.186 501 HD3 ARG 85 HD3 ARG 85 -3.958 -8.674 1.525 502 HE ARG 85 HE ARG 85 -1.970 -10.119 -0.047 503 HH11 ARG 85 HH11 ARG 85 -5.316 -9.211 0.415 504 HH12 ARG 85 HH12 ARG 85 -5.800 -9.655 -1.202 505 HH21 ARG 85 HH21 ARG 85 -2.604 -10.670 -2.190 506 HH22 ARG 85 HH22 ARG 85 -4.262 -10.465 -2.680 507 H SER 86 H SER 86 -0.523 -7.177 6.063 508 HA SER 86 HA SER 86 2.141 -7.698 5.860 509 HB2 SER 86 HB2 SER 86 0.391 -9.123 7.860 510 HB3 SER 86 HB3 SER 86 2.011 -8.462 8.092 511 HG SER 86 HG SER 86 1.118 -6.647 8.663 512 H GLU 87 H GLU 87 3.056 -9.149 4.527 513 HA GLU 87 HA GLU 87 1.825 -11.625 3.893 514 HB2 GLU 87 HB2 GLU 87 3.741 -11.974 2.451 515 HB3 GLU 87 HB3 GLU 87 3.209 -10.304 2.317 516 HG2 GLU 87 HG2 GLU 87 5.028 -9.956 4.203 517 HG3 GLU 87 HG3 GLU 87 5.695 -11.419 3.483 518 H GLN 88 H GLN 88 3.732 -10.682 6.476 519 HA GLN 88 HA GLN 88 4.477 -13.439 7.039 520 HB2 GLN 88 HB2 GLN 88 6.558 -12.362 8.248 521 HB3 GLN 88 HB3 GLN 88 6.624 -12.806 6.552 522 HG2 GLN 88 HG2 GLN 88 7.645 -10.636 6.952 523 HG3 GLN 88 HG3 GLN 88 6.236 -10.500 5.906 524 HE21 GLN 88 HE21 GLN 88 7.548 -9.819 9.056 525 HE22 GLN 88 HE22 GLN 88 6.335 -8.684 9.531 Start of MODEL 17 1 H MET 18 H MET 18 -14.371 1.071 -11.471 2 HA MET 18 HA MET 18 -14.895 2.639 -9.718 3 HB2 MET 18 HB2 MET 18 -16.695 0.216 -9.886 4 HB3 MET 18 HB3 MET 18 -17.172 1.760 -9.194 5 HG2 MET 18 HG2 MET 18 -16.774 2.839 -11.361 6 HG3 MET 18 HG3 MET 18 -16.347 1.272 -12.046 7 HE1 MET 18 HE1 MET 18 -20.561 2.385 -10.522 8 HE2 MET 18 HE2 MET 18 -19.205 3.511 -10.574 9 HE3 MET 18 HE3 MET 18 -19.184 2.158 -9.444 10 H ALA 19 H ALA 19 -13.189 2.431 -8.158 11 HA ALA 19 HA ALA 19 -12.737 2.598 -5.934 12 HB1 ALA 19 HB1 ALA 19 -14.349 2.019 -4.225 13 HB2 ALA 19 HB2 ALA 19 -15.368 1.225 -5.427 14 HB3 ALA 19 HB3 ALA 19 -15.113 2.968 -5.501 15 H LEU 20 H LEU 20 -11.127 1.429 -5.186 16 HA LEU 20 HA LEU 20 -11.366 -1.508 -5.265 17 HB2 LEU 20 HB2 LEU 20 -9.624 -0.600 -6.850 18 HB3 LEU 20 HB3 LEU 20 -8.773 0.032 -5.453 19 HG LEU 20 HG LEU 20 -8.585 -2.305 -4.581 20 HD11 LEU 20 HD11 LEU 20 -8.971 -4.151 -6.139 21 HD12 LEU 20 HD12 LEU 20 -9.648 -3.019 -7.311 22 HD13 LEU 20 HD13 LEU 20 -10.464 -3.287 -5.771 23 HD21 LEU 20 HD21 LEU 20 -6.738 -1.244 -5.770 24 HD22 LEU 20 HD22 LEU 20 -7.396 -1.808 -7.307 25 HD23 LEU 20 HD23 LEU 20 -6.811 -2.971 -6.117 26 H LYS 21 H LYS 21 -10.810 -2.563 -3.351 27 HA LYS 21 HA LYS 21 -10.423 -0.768 -1.074 28 HB2 LYS 21 HB2 LYS 21 -11.501 -3.584 -1.142 29 HB3 LYS 21 HB3 LYS 21 -11.580 -2.455 0.205 30 HG2 LYS 21 HG2 LYS 21 -13.113 -1.062 -0.926 31 HG3 LYS 21 HG3 LYS 21 -12.848 -1.899 -2.457 32 HD2 LYS 21 HD2 LYS 21 -14.065 -3.131 0.003 33 HD3 LYS 21 HD3 LYS 21 -14.974 -2.511 -1.378 34 HE2 LYS 21 HE2 LYS 21 -13.027 -4.807 -1.352 35 HE3 LYS 21 HE3 LYS 21 -14.773 -4.896 -1.578 36 HZ1 LYS 21 HZ1 LYS 21 -12.847 -3.598 -3.433 37 HZ2 LYS 21 HZ2 LYS 21 -14.522 -3.685 -3.664 38 HZ3 LYS 21 HZ3 LYS 21 -13.585 -5.099 -3.677 39 H CYS 22 H CYS 22 -8.555 -0.766 -0.064 40 HA CYS 22 HA CYS 22 -7.092 -3.266 0.201 41 HB2 CYS 22 HB2 CYS 22 -5.955 -0.713 -0.887 42 HB3 CYS 22 HB3 CYS 22 -4.933 -1.800 0.047 43 H PHE 23 H PHE 23 -5.245 -2.830 1.920 44 HA PHE 23 HA PHE 23 -6.704 -1.888 4.258 45 HB2 PHE 23 HB2 PHE 23 -3.998 -3.208 3.969 46 HB3 PHE 23 HB3 PHE 23 -4.691 -2.699 5.502 47 HD1 PHE 23 HD1 PHE 23 -6.580 -3.882 6.467 48 HD2 PHE 23 HD2 PHE 23 -4.796 -5.164 2.822 49 HE1 PHE 23 HE1 PHE 23 -7.703 -6.061 6.687 50 HE2 PHE 23 HE2 PHE 23 -5.919 -7.343 3.034 51 HZ PHE 23 HZ PHE 23 -7.373 -7.793 4.971 52 H THR 24 H THR 24 -6.339 -0.001 5.212 53 HA THR 24 HA THR 24 -3.912 1.500 4.505 54 HB THR 24 HB THR 24 -6.677 2.711 4.800 55 HG1 THR 24 HG1 THR 24 -6.823 2.314 2.732 56 HG21 THR 24 HG21 THR 24 -5.602 4.798 4.094 57 HG22 THR 24 HG22 THR 24 -4.038 3.986 4.063 58 HG23 THR 24 HG23 THR 24 -4.892 4.195 5.591 59 H ARG 25 H ARG 25 -2.997 2.631 6.254 60 HA ARG 25 HA ARG 25 -3.886 1.553 8.826 61 HB2 ARG 25 HB2 ARG 25 -1.484 1.339 8.152 62 HB3 ARG 25 HB3 ARG 25 -1.360 3.092 8.213 63 HG2 ARG 25 HG2 ARG 25 -1.713 3.130 10.551 64 HG3 ARG 25 HG3 ARG 25 -2.217 1.438 10.571 65 HD2 ARG 25 HD2 ARG 25 0.057 0.815 9.803 66 HD3 ARG 25 HD3 ARG 25 0.537 2.503 9.969 67 HE ARG 25 HE ARG 25 -0.578 1.231 12.341 68 HH11 ARG 25 HH11 ARG 25 2.290 2.200 10.579 69 HH12 ARG 25 HH12 ARG 25 3.330 2.107 11.961 70 HH21 ARG 25 HH21 ARG 25 0.794 1.090 14.183 71 HH22 ARG 25 HH22 ARG 25 2.486 1.466 13.999 72 H ASN 26 H ASN 26 -5.255 2.724 9.916 73 HA ASN 26 HA ASN 26 -5.331 5.631 9.544 74 HB2 ASN 26 HB2 ASN 26 -7.444 5.290 11.083 75 HB3 ASN 26 HB3 ASN 26 -7.530 4.949 9.359 76 HD21 ASN 26 HD21 ASN 26 -7.552 3.600 12.550 77 HD22 ASN 26 HD22 ASN 26 -8.004 1.988 12.089 78 H GLY 27 H GLY 27 -3.375 5.937 10.677 79 HA2 GLY 27 HA2 GLY 27 -2.455 6.875 12.645 80 HA3 GLY 27 HA3 GLY 27 -3.774 6.165 13.571 81 H ASP 28 H ASP 28 -3.789 3.779 13.701 82 HA ASP 28 HA ASP 28 -1.125 2.619 13.548 83 HB2 ASP 28 HB2 ASP 28 -1.243 3.199 15.891 84 HB3 ASP 28 HB3 ASP 28 -2.857 2.506 16.026 85 H ASP 29 H ASP 29 -4.423 1.835 14.608 86 HA ASP 29 HA ASP 29 -4.662 -0.664 13.658 87 HB2 ASP 29 HB2 ASP 29 -6.458 0.214 14.908 88 HB3 ASP 29 HB3 ASP 29 -6.690 1.557 13.793 89 H ARG 30 H ARG 30 -5.764 -1.562 11.723 90 HA ARG 30 HA ARG 30 -5.209 0.004 9.356 91 HB2 ARG 30 HB2 ARG 30 -3.988 -2.706 9.853 92 HB3 ARG 30 HB3 ARG 30 -4.165 -2.017 8.243 93 HG2 ARG 30 HG2 ARG 30 -2.796 -0.123 8.877 94 HG3 ARG 30 HG3 ARG 30 -2.652 -0.761 10.514 95 HD2 ARG 30 HD2 ARG 30 -1.804 -2.376 8.145 96 HD3 ARG 30 HD3 ARG 30 -0.736 -1.159 8.838 97 HE ARG 30 HE ARG 30 -1.423 -2.636 10.986 98 HH11 ARG 30 HH11 ARG 30 -0.433 -3.612 7.794 99 HH12 ARG 30 HH12 ARG 30 0.638 -4.873 8.348 100 HH21 ARG 30 HH21 ARG 30 -0.040 -4.338 11.746 101 HH22 ARG 30 HH22 ARG 30 0.876 -5.268 10.593 102 H THR 31 H THR 31 -7.192 0.059 8.510 103 HA THR 31 HA THR 31 -8.706 -2.458 8.414 104 HB THR 31 HB THR 31 -9.669 -0.572 9.770 105 HG1 THR 31 HG1 THR 31 -11.472 -1.543 9.300 106 HG21 THR 31 HG21 THR 31 -10.756 1.276 8.565 107 HG22 THR 31 HG22 THR 31 -10.039 0.707 7.058 108 HG23 THR 31 HG23 THR 31 -9.006 1.303 8.356 109 H VAL 32 H VAL 32 -10.587 -2.003 6.579 110 HA VAL 32 HA VAL 32 -8.991 -1.962 4.108 111 HB VAL 32 HB VAL 32 -11.764 -3.085 4.565 112 HG11 VAL 32 HG11 VAL 32 -10.016 -3.155 2.108 113 HG12 VAL 32 HG12 VAL 32 -11.494 -2.214 2.308 114 HG13 VAL 32 HG13 VAL 32 -11.567 -3.975 2.294 115 HG21 VAL 32 HG21 VAL 32 -9.138 -4.496 4.120 116 HG22 VAL 32 HG22 VAL 32 -10.722 -5.271 4.183 117 HG23 VAL 32 HG23 VAL 32 -10.074 -4.470 5.615 118 H THR 33 H THR 33 -9.148 -0.141 2.944 119 HA THR 33 HA THR 33 -11.587 1.470 3.286 120 HB THR 33 HB THR 33 -10.316 3.410 2.441 121 HG1 THR 33 HG1 THR 33 -8.604 2.393 1.371 122 HG21 THR 33 HG21 THR 33 -10.611 3.127 4.843 123 HG22 THR 33 HG22 THR 33 -9.031 3.831 4.501 124 HG23 THR 33 HG23 THR 33 -9.162 2.124 4.922 125 H THR 34 H THR 34 -12.562 2.261 1.449 126 HA THR 34 HA THR 34 -11.858 0.839 -1.019 127 HB THR 34 HB THR 34 -14.078 0.253 -0.481 128 HG1 THR 34 HG1 THR 34 -14.479 2.487 -2.183 129 HG21 THR 34 HG21 THR 34 -14.359 2.004 1.267 130 HG22 THR 34 HG22 THR 34 -15.787 1.753 0.258 131 HG23 THR 34 HG23 THR 34 -14.747 3.153 -0.016 132 H CYS 35 H CYS 35 -10.798 2.067 -2.434 133 HA CYS 35 HA CYS 35 -11.004 4.985 -2.109 134 HB2 CYS 35 HB2 CYS 35 -8.597 3.390 -3.014 135 HB3 CYS 35 HB3 CYS 35 -8.670 5.132 -2.780 136 H ALA 36 H ALA 36 -10.139 6.110 -4.243 137 HA ALA 36 HA ALA 36 -12.264 5.376 -6.075 138 HB1 ALA 36 HB1 ALA 36 -12.095 7.682 -5.310 139 HB2 ALA 36 HB2 ALA 36 -11.909 7.563 -7.060 140 HB3 ALA 36 HB3 ALA 36 -10.493 7.807 -6.038 141 H GLU 37 H GLU 37 -11.208 6.490 -8.471 142 HA GLU 37 HA GLU 37 -10.333 3.913 -9.418 143 HB2 GLU 37 HB2 GLU 37 -10.960 6.491 -10.854 144 HB3 GLU 37 HB3 GLU 37 -10.560 4.976 -11.642 145 HG2 GLU 37 HG2 GLU 37 -12.922 5.410 -9.833 146 HG3 GLU 37 HG3 GLU 37 -12.973 5.425 -11.595 147 H GLU 38 H GLU 38 -8.967 7.163 -9.053 148 HA GLU 38 HA GLU 38 -6.617 6.889 -10.494 149 HB2 GLU 38 HB2 GLU 38 -6.297 8.044 -7.768 150 HB3 GLU 38 HB3 GLU 38 -5.736 8.661 -9.308 151 HG2 GLU 38 HG2 GLU 38 -7.301 10.186 -8.428 152 HG3 GLU 38 HG3 GLU 38 -8.075 9.368 -9.789 153 H GLN 39 H GLN 39 -7.500 5.683 -7.372 154 HA GLN 39 HA GLN 39 -4.792 4.763 -6.777 155 HB2 GLN 39 HB2 GLN 39 -7.066 4.402 -4.891 156 HB3 GLN 39 HB3 GLN 39 -5.389 4.820 -4.556 157 HG2 GLN 39 HG2 GLN 39 -6.895 6.820 -6.075 158 HG3 GLN 39 HG3 GLN 39 -7.451 6.539 -4.440 159 HE21 GLN 39 HE21 GLN 39 -6.874 8.645 -3.962 160 HE22 GLN 39 HE22 GLN 39 -5.226 9.106 -3.697 161 H THR 40 H THR 40 -6.046 3.408 -8.850 162 HA THR 40 HA THR 40 -7.292 1.060 -7.918 163 HB THR 40 HB THR 40 -6.288 0.350 -10.370 164 HG1 THR 40 HG1 THR 40 -6.963 3.065 -10.716 165 HG21 THR 40 HG21 THR 40 -8.758 1.991 -9.788 166 HG22 THR 40 HG22 THR 40 -8.630 0.236 -9.671 167 HG23 THR 40 HG23 THR 40 -8.483 1.029 -11.240 168 H ARG 41 H ARG 41 -4.381 1.943 -7.145 169 HA ARG 41 HA ARG 41 -3.463 -0.799 -7.038 170 HB2 ARG 41 HB2 ARG 41 -1.412 1.425 -7.176 171 HB3 ARG 41 HB3 ARG 41 -1.155 -0.303 -7.146 172 HG2 ARG 41 HG2 ARG 41 -2.421 1.198 -9.393 173 HG3 ARG 41 HG3 ARG 41 -0.757 0.637 -9.341 174 HD2 ARG 41 HD2 ARG 41 -1.654 -1.685 -9.013 175 HD3 ARG 41 HD3 ARG 41 -3.255 -1.039 -9.365 176 HE ARG 41 HE ARG 41 -2.621 -0.710 -11.590 177 HH11 ARG 41 HH11 ARG 41 -0.002 -2.001 -9.666 178 HH12 ARG 41 HH12 ARG 41 0.915 -2.543 -11.031 179 HH21 ARG 41 HH21 ARG 41 -1.414 -1.425 -13.410 180 HH22 ARG 41 HH22 ARG 41 0.109 -2.212 -13.170 181 H CYS 42 H CYS 42 -1.372 -0.286 -5.257 182 HA CYS 42 HA CYS 42 -2.596 0.845 -3.008 183 HB2 CYS 42 HB2 CYS 42 -2.393 -2.178 -2.923 184 HB3 CYS 42 HB3 CYS 42 -2.984 -1.117 -1.648 185 H LEU 43 H LEU 43 -1.143 0.878 -1.218 186 HA LEU 43 HA LEU 43 1.593 0.122 -1.979 187 HB2 LEU 43 HB2 LEU 43 0.593 2.559 -1.365 188 HB3 LEU 43 HB3 LEU 43 1.124 2.039 0.219 189 HG LEU 43 HG LEU 43 2.698 2.834 -2.145 190 HD11 LEU 43 HD11 LEU 43 2.494 4.294 -0.243 191 HD12 LEU 43 HD12 LEU 43 4.164 3.764 -0.443 192 HD13 LEU 43 HD13 LEU 43 3.154 3.043 0.810 193 HD21 LEU 43 HD21 LEU 43 3.403 0.525 -1.976 194 HD22 LEU 43 HD22 LEU 43 3.701 0.726 -0.248 195 HD23 LEU 43 HD23 LEU 43 4.685 1.603 -1.422 196 H PHE 44 H PHE 44 2.707 -1.238 -0.760 197 HA PHE 44 HA PHE 44 2.130 -1.439 2.094 198 HB2 PHE 44 HB2 PHE 44 1.028 -3.392 1.243 199 HB3 PHE 44 HB3 PHE 44 2.384 -3.770 0.185 200 HD1 PHE 44 HD1 PHE 44 1.375 -3.561 3.749 201 HD2 PHE 44 HD2 PHE 44 4.131 -5.121 0.911 202 HE1 PHE 44 HE1 PHE 44 2.352 -4.999 5.490 203 HE2 PHE 44 HE2 PHE 44 5.114 -6.558 2.643 204 HZ PHE 44 HZ PHE 44 4.226 -6.502 4.933 205 H VAL 45 H VAL 45 3.958 -1.141 3.213 206 HA VAL 45 HA VAL 45 6.516 -1.554 1.812 207 HB VAL 45 HB VAL 45 5.988 0.703 3.766 208 HG11 VAL 45 HG11 VAL 45 8.297 -0.034 3.741 209 HG12 VAL 45 HG12 VAL 45 8.151 1.553 2.984 210 HG13 VAL 45 HG13 VAL 45 8.347 0.113 1.984 211 HG21 VAL 45 HG21 VAL 45 6.067 2.214 1.845 212 HG22 VAL 45 HG22 VAL 45 4.734 1.070 1.686 213 HG23 VAL 45 HG23 VAL 45 6.213 0.837 0.753 214 H GLN 46 H GLN 46 8.172 -2.456 3.049 215 HA GLN 46 HA GLN 46 7.333 -3.695 5.561 216 HB2 GLN 46 HB2 GLN 46 9.945 -3.989 4.076 217 HB3 GLN 46 HB3 GLN 46 9.482 -4.873 5.515 218 HG2 GLN 46 HG2 GLN 46 8.196 -5.089 2.802 219 HG3 GLN 46 HG3 GLN 46 9.322 -6.213 3.535 220 HE21 GLN 46 HE21 GLN 46 6.807 -4.714 5.447 221 HE22 GLN 46 HE22 GLN 46 5.876 -6.147 5.670 222 H LEU 47 H LEU 47 8.173 -3.216 7.501 223 HA LEU 47 HA LEU 47 10.211 -1.152 7.685 224 HB2 LEU 47 HB2 LEU 47 7.551 -1.009 9.111 225 HB3 LEU 47 HB3 LEU 47 8.963 -0.129 9.647 226 HG LEU 47 HG LEU 47 7.517 1.360 8.466 227 HD11 LEU 47 HD11 LEU 47 9.892 1.727 8.144 228 HD12 LEU 47 HD12 LEU 47 8.998 2.162 6.688 229 HD13 LEU 47 HD13 LEU 47 9.888 0.641 6.754 230 HD21 LEU 47 HD21 LEU 47 7.054 1.003 6.030 231 HD22 LEU 47 HD22 LEU 47 6.188 -0.057 7.143 232 HD23 LEU 47 HD23 LEU 47 7.586 -0.662 6.255 233 HA PRO 48 HA PRO 48 11.538 -4.055 10.795 234 HB2 PRO 48 HB2 PRO 48 13.213 -1.991 11.970 235 HB3 PRO 48 HB3 PRO 48 13.693 -3.413 11.042 236 HG2 PRO 48 HG2 PRO 48 13.950 -0.884 10.099 237 HG3 PRO 48 HG3 PRO 48 13.670 -2.280 9.046 238 HD2 PRO 48 HD2 PRO 48 11.717 -0.235 10.044 239 HD3 PRO 48 HD3 PRO 48 11.873 -0.943 8.421 240 H TYR 49 H TYR 49 9.207 -2.154 11.378 241 HA TYR 49 HA TYR 49 9.280 -2.265 14.220 242 HB2 TYR 49 HB2 TYR 49 8.983 0.467 12.945 243 HB3 TYR 49 HB3 TYR 49 8.761 0.103 14.652 244 HD1 TYR 49 HD1 TYR 49 10.762 -0.674 15.991 245 HD2 TYR 49 HD2 TYR 49 11.117 0.935 12.068 246 HE1 TYR 49 HE1 TYR 49 13.147 -0.236 16.392 247 HE2 TYR 49 HE2 TYR 49 13.504 1.374 12.458 248 HH TYR 49 HH TYR 49 15.205 0.075 15.091 249 H SER 50 H SER 50 7.653 -1.281 11.269 250 HA SER 50 HA SER 50 5.158 -2.298 12.246 251 HB2 SER 50 HB2 SER 50 5.367 0.615 11.427 252 HB3 SER 50 HB3 SER 50 3.866 -0.247 11.762 253 HG SER 50 HG SER 50 5.473 -0.609 13.838 254 H GLU 51 H GLU 51 3.521 -1.265 10.199 255 HA GLU 51 HA GLU 51 5.001 -1.784 7.710 256 HB2 GLU 51 HB2 GLU 51 2.230 -2.760 8.466 257 HB3 GLU 51 HB3 GLU 51 3.011 -3.026 6.916 258 HG2 GLU 51 HG2 GLU 51 4.492 -4.579 7.784 259 HG3 GLU 51 HG3 GLU 51 4.293 -3.995 9.437 260 H ILE 52 H ILE 52 4.116 -0.813 5.815 261 HA ILE 52 HA ILE 52 2.365 1.493 6.378 262 HB ILE 52 HB ILE 52 4.372 1.168 4.165 263 HG12 ILE 52 HG12 ILE 52 5.430 1.845 6.201 264 HG13 ILE 52 HG13 ILE 52 5.284 3.258 5.176 265 HG21 ILE 52 HG21 ILE 52 2.348 2.227 3.310 266 HG22 ILE 52 HG22 ILE 52 3.687 3.373 3.388 267 HG23 ILE 52 HG23 ILE 52 2.418 3.414 4.612 268 HD11 ILE 52 HD11 ILE 52 4.778 3.791 7.473 269 HD12 ILE 52 HD12 ILE 52 3.497 2.580 7.477 270 HD13 ILE 52 HD13 ILE 52 3.362 4.004 6.445 271 H GLN 53 H GLN 53 0.492 1.636 5.249 272 HA GLN 53 HA GLN 53 0.012 -0.040 3.004 273 HB2 GLN 53 HB2 GLN 53 -1.714 -0.446 5.459 274 HB3 GLN 53 HB3 GLN 53 -2.070 -1.077 3.860 275 HG2 GLN 53 HG2 GLN 53 0.051 -2.373 3.972 276 HG3 GLN 53 HG3 GLN 53 0.236 -1.830 5.638 277 HE21 GLN 53 HE21 GLN 53 -1.482 -3.907 3.477 278 HE22 GLN 53 HE22 GLN 53 -2.338 -4.794 4.690 279 H GLU 54 H GLU 54 -1.124 1.154 1.622 280 HA GLU 54 HA GLU 54 -3.347 2.809 2.435 281 HB2 GLU 54 HB2 GLU 54 -2.262 4.878 1.473 282 HB3 GLU 54 HB3 GLU 54 -1.626 4.351 3.016 283 HG2 GLU 54 HG2 GLU 54 0.257 3.279 1.839 284 HG3 GLU 54 HG3 GLU 54 -0.351 3.947 0.321 285 H CYS 55 H CYS 55 -4.571 3.590 0.621 286 HA CYS 55 HA CYS 55 -4.141 2.359 -1.889 287 HB2 CYS 55 HB2 CYS 55 -5.839 4.792 -1.245 288 HB3 CYS 55 HB3 CYS 55 -5.970 3.808 -2.691 289 H LYS 56 H LYS 56 -3.242 3.161 -3.769 290 HA LYS 56 HA LYS 56 -2.055 5.787 -3.683 291 HB2 LYS 56 HB2 LYS 56 -0.413 3.979 -2.722 292 HB3 LYS 56 HB3 LYS 56 -0.220 3.526 -4.408 293 HG2 LYS 56 HG2 LYS 56 1.521 5.063 -3.618 294 HG3 LYS 56 HG3 LYS 56 0.586 5.724 -4.959 295 HD2 LYS 56 HD2 LYS 56 1.045 7.364 -3.143 296 HD3 LYS 56 HD3 LYS 56 -0.670 7.124 -3.469 297 HE2 LYS 56 HE2 LYS 56 -0.875 5.684 -1.548 298 HE3 LYS 56 HE3 LYS 56 0.853 5.768 -1.233 299 HZ1 LYS 56 HZ1 LYS 56 -1.096 7.996 -1.049 300 HZ2 LYS 56 HZ2 LYS 56 0.576 8.182 -0.894 301 HZ3 LYS 56 HZ3 LYS 56 -0.276 7.246 0.234 302 H THR 57 H THR 57 -2.408 6.654 -5.674 303 HA THR 57 HA THR 57 -3.597 5.376 -7.681 304 HB THR 57 HB THR 57 -3.226 7.147 -9.117 305 HG1 THR 57 HG1 THR 57 -1.205 8.557 -8.172 306 HG21 THR 57 HG21 THR 57 -3.359 9.181 -7.780 307 HG22 THR 57 HG22 THR 57 -2.749 8.306 -6.377 308 HG23 THR 57 HG23 THR 57 -4.320 7.887 -7.061 309 H VAL 58 H VAL 58 -2.956 4.520 -9.760 310 HA VAL 58 HA VAL 58 -1.038 2.597 -9.653 311 HB VAL 58 HB VAL 58 -1.805 4.011 -12.235 312 HG11 VAL 58 HG11 VAL 58 -1.418 1.828 -13.273 313 HG12 VAL 58 HG12 VAL 58 -0.907 1.181 -11.713 314 HG13 VAL 58 HG13 VAL 58 0.036 2.451 -12.494 315 HG21 VAL 58 HG21 VAL 58 -3.241 1.738 -10.873 316 HG22 VAL 58 HG22 VAL 58 -3.667 2.478 -12.413 317 HG23 VAL 58 HG23 VAL 58 -3.797 3.409 -10.921 318 H GLN 59 H GLN 59 -0.550 5.738 -11.417 319 HA GLN 59 HA GLN 59 2.036 5.407 -11.944 320 HB2 GLN 59 HB2 GLN 59 2.038 7.674 -12.462 321 HB3 GLN 59 HB3 GLN 59 0.389 7.197 -12.676 322 HG2 GLN 59 HG2 GLN 59 -0.320 8.318 -10.773 323 HG3 GLN 59 HG3 GLN 59 1.310 8.416 -10.104 324 HE21 GLN 59 HE21 GLN 59 2.706 9.993 -10.817 325 HE22 GLN 59 HE22 GLN 59 2.162 11.357 -11.745 326 H GLN 60 H GLN 60 0.645 6.788 -9.005 327 HA GLN 60 HA GLN 60 3.172 7.618 -7.952 328 HB2 GLN 60 HB2 GLN 60 0.398 7.445 -6.783 329 HB3 GLN 60 HB3 GLN 60 1.791 7.943 -5.832 330 HG2 GLN 60 HG2 GLN 60 2.149 9.849 -7.209 331 HG3 GLN 60 HG3 GLN 60 0.958 9.292 -8.384 332 HE21 GLN 60 HE21 GLN 60 -0.204 11.198 -8.210 333 HE22 GLN 60 HE22 GLN 60 -1.182 11.557 -6.831 334 H CYS 61 H CYS 61 1.178 4.742 -7.692 335 HA CYS 61 HA CYS 61 2.519 3.662 -5.451 336 HB2 CYS 61 HB2 CYS 61 1.363 1.637 -5.943 337 HB3 CYS 61 HB3 CYS 61 0.312 2.883 -6.590 338 H ALA 62 H ALA 62 3.177 3.405 -8.959 339 HA ALA 62 HA ALA 62 5.493 1.868 -8.680 340 HB1 ALA 62 HB1 ALA 62 4.404 2.270 -10.836 341 HB2 ALA 62 HB2 ALA 62 6.115 2.693 -10.896 342 HB3 ALA 62 HB3 ALA 62 4.897 3.962 -10.772 343 H GLU 63 H GLU 63 5.045 5.373 -8.682 344 HA GLU 63 HA GLU 63 7.667 6.182 -8.398 345 HB2 GLU 63 HB2 GLU 63 5.098 7.402 -7.372 346 HB3 GLU 63 HB3 GLU 63 6.634 8.242 -7.357 347 HG2 GLU 63 HG2 GLU 63 6.768 8.129 -9.768 348 HG3 GLU 63 HG3 GLU 63 5.287 7.179 -9.826 349 H VAL 64 H VAL 64 5.313 5.819 -5.736 350 HA VAL 64 HA VAL 64 7.011 6.095 -3.673 351 HB VAL 64 HB VAL 64 5.219 5.117 -2.391 352 HG11 VAL 64 HG11 VAL 64 4.940 7.401 -3.140 353 HG12 VAL 64 HG12 VAL 64 3.392 6.564 -3.023 354 HG13 VAL 64 HG13 VAL 64 4.148 6.801 -4.601 355 HG21 VAL 64 HG21 VAL 64 4.675 3.211 -3.580 356 HG22 VAL 64 HG22 VAL 64 4.227 4.171 -4.985 357 HG23 VAL 64 HG23 VAL 64 3.227 4.222 -3.529 358 H LEU 65 H LEU 65 6.445 3.288 -5.632 359 HA LEU 65 HA LEU 65 7.338 1.278 -3.844 360 HB2 LEU 65 HB2 LEU 65 6.174 0.578 -5.782 361 HB3 LEU 65 HB3 LEU 65 7.213 1.508 -6.841 362 HG LEU 65 HG LEU 65 9.043 -0.048 -6.480 363 HD11 LEU 65 HD11 LEU 65 7.139 -1.495 -4.651 364 HD12 LEU 65 HD12 LEU 65 8.632 -0.679 -4.188 365 HD13 LEU 65 HD13 LEU 65 8.693 -2.118 -5.204 366 HD21 LEU 65 HD21 LEU 65 7.432 -0.527 -8.252 367 HD22 LEU 65 HD22 LEU 65 6.461 -1.466 -7.116 368 HD23 LEU 65 HD23 LEU 65 8.079 -2.013 -7.555 369 H GLU 66 H GLU 66 9.011 3.001 -6.479 370 HA GLU 66 HA GLU 66 11.481 2.043 -5.697 371 HB2 GLU 66 HB2 GLU 66 10.866 4.452 -7.401 372 HB3 GLU 66 HB3 GLU 66 12.435 3.667 -7.296 373 HG2 GLU 66 HG2 GLU 66 9.895 2.432 -8.335 374 HG3 GLU 66 HG3 GLU 66 11.261 2.988 -9.302 375 H GLU 67 H GLU 67 9.801 4.786 -4.455 376 HA GLU 67 HA GLU 67 12.103 6.347 -3.831 377 HB2 GLU 67 HB2 GLU 67 10.585 7.704 -2.531 378 HB3 GLU 67 HB3 GLU 67 9.841 7.306 -4.081 379 HG2 GLU 67 HG2 GLU 67 8.598 5.578 -3.112 380 HG3 GLU 67 HG3 GLU 67 9.376 5.826 -1.560 381 H VAL 68 H VAL 68 9.930 4.258 -1.911 382 HA VAL 68 HA VAL 68 11.655 4.317 0.321 383 HB VAL 68 HB VAL 68 10.226 2.538 1.268 384 HG11 VAL 68 HG11 VAL 68 8.147 3.842 1.310 385 HG12 VAL 68 HG12 VAL 68 8.729 4.801 -0.051 386 HG13 VAL 68 HG13 VAL 68 9.570 4.866 1.498 387 HG21 VAL 68 HG21 VAL 68 9.770 1.264 -0.749 388 HG22 VAL 68 HG22 VAL 68 8.857 2.616 -1.421 389 HG23 VAL 68 HG23 VAL 68 8.259 1.770 0.008 390 H THR 69 H THR 69 11.277 1.983 -2.312 391 HA THR 69 HA THR 69 12.929 0.042 -1.250 392 HB THR 69 HB THR 69 12.425 0.679 -4.158 393 HG1 THR 69 HG1 THR 69 10.534 -0.063 -3.589 394 HG21 THR 69 HG21 THR 69 13.109 -1.618 -4.623 395 HG22 THR 69 HG22 THR 69 13.506 -1.858 -2.921 396 HG23 THR 69 HG23 THR 69 14.438 -0.718 -3.892 397 H ALA 70 H ALA 70 13.785 2.931 -3.093 398 HA ALA 70 HA ALA 70 16.508 2.415 -3.297 399 HB1 ALA 70 HB1 ALA 70 15.383 4.217 -4.512 400 HB2 ALA 70 HB2 ALA 70 16.785 4.820 -3.629 401 HB3 ALA 70 HB3 ALA 70 15.160 5.100 -3.001 402 H ILE 71 H ILE 71 14.630 3.274 -0.559 403 HA ILE 71 HA ILE 71 16.898 4.202 1.019 404 HB ILE 71 HB ILE 71 14.121 3.582 2.036 405 HG12 ILE 71 HG12 ILE 71 15.145 6.221 0.965 406 HG13 ILE 71 HG13 ILE 71 13.988 5.181 0.149 407 HG21 ILE 71 HG21 ILE 71 14.703 5.192 3.789 408 HG22 ILE 71 HG22 ILE 71 16.291 5.414 3.055 409 HG23 ILE 71 HG23 ILE 71 15.848 3.851 3.738 410 HD11 ILE 71 HD11 ILE 71 13.569 6.545 2.798 411 HD12 ILE 71 HD12 ILE 71 12.406 5.504 1.976 412 HD13 ILE 71 HD13 ILE 71 12.884 7.038 1.249 413 H GLY 72 H GLY 72 15.456 1.295 0.105 414 HA2 GLY 72 HA2 GLY 72 16.365 -0.777 0.718 415 HA3 GLY 72 HA3 GLY 72 16.781 -0.110 2.289 416 H TYR 73 H TYR 73 13.641 0.736 1.448 417 HA TYR 73 HA TYR 73 12.590 -1.378 3.155 418 HB2 TYR 73 HB2 TYR 73 11.518 1.333 2.375 419 HB3 TYR 73 HB3 TYR 73 10.630 0.176 3.350 420 HD1 TYR 73 HD1 TYR 73 12.156 -0.794 5.385 421 HD2 TYR 73 HD2 TYR 73 12.578 3.014 3.539 422 HE1 TYR 73 HE1 TYR 73 13.263 0.056 7.407 423 HE2 TYR 73 HE2 TYR 73 13.689 3.874 5.557 424 HH TYR 73 HH TYR 73 14.862 1.890 7.997 425 HA PRO 74 HA PRO 74 10.927 -3.452 -0.501 426 HB2 PRO 74 HB2 PRO 74 9.480 -4.696 1.807 427 HB3 PRO 74 HB3 PRO 74 10.214 -5.474 0.414 428 HG2 PRO 74 HG2 PRO 74 11.475 -5.548 2.704 429 HG3 PRO 74 HG3 PRO 74 12.391 -5.157 1.232 430 HD2 PRO 74 HD2 PRO 74 11.398 -3.331 3.387 431 HD3 PRO 74 HD3 PRO 74 12.938 -3.318 2.514 432 H ALA 75 H ALA 75 9.332 -2.434 -1.657 433 HA ALA 75 HA ALA 75 6.739 -2.171 -0.292 434 HB1 ALA 75 HB1 ALA 75 7.806 -0.026 -0.821 435 HB2 ALA 75 HB2 ALA 75 6.297 -0.250 -1.706 436 HB3 ALA 75 HB3 ALA 75 7.843 -0.473 -2.526 437 H LYS 76 H LYS 76 4.830 -2.539 -1.554 438 HA LYS 76 HA LYS 76 5.230 -3.577 -4.271 439 HB2 LYS 76 HB2 LYS 76 3.312 -5.205 -3.650 440 HB3 LYS 76 HB3 LYS 76 4.943 -5.589 -3.164 441 HG2 LYS 76 HG2 LYS 76 4.447 -4.650 -0.924 442 HG3 LYS 76 HG3 LYS 76 2.779 -4.416 -1.446 443 HD2 LYS 76 HD2 LYS 76 4.162 -7.090 -1.486 444 HD3 LYS 76 HD3 LYS 76 3.233 -6.504 -0.106 445 HE2 LYS 76 HE2 LYS 76 1.265 -6.271 -1.601 446 HE3 LYS 76 HE3 LYS 76 2.212 -6.993 -2.902 447 HZ1 LYS 76 HZ1 LYS 76 2.412 -9.014 -1.651 448 HZ2 LYS 76 HZ2 LYS 76 0.769 -8.594 -1.711 449 HZ3 LYS 76 HZ3 LYS 76 1.668 -8.321 -0.298 450 H CYS 77 H CYS 77 4.014 -2.627 -5.690 451 HA CYS 77 HA CYS 77 1.448 -1.486 -4.839 452 HB2 CYS 77 HB2 CYS 77 2.461 0.220 -6.030 453 HB3 CYS 77 HB3 CYS 77 3.282 -0.873 -7.116 454 H CYS 78 H CYS 78 0.439 -3.553 -4.706 455 HA CYS 78 HA CYS 78 0.025 -4.913 -7.204 456 HB2 CYS 78 HB2 CYS 78 0.441 -6.182 -5.158 457 HB3 CYS 78 HB3 CYS 78 -0.979 -5.469 -4.402 458 H CYS 79 H CYS 79 -2.206 -5.597 -7.877 459 HA CYS 79 HA CYS 79 -4.093 -3.406 -7.433 460 HB2 CYS 79 HB2 CYS 79 -3.032 -3.157 -9.685 461 HB3 CYS 79 HB3 CYS 79 -3.643 -4.752 -10.106 462 HG CYS 79 HG CYS 79 -5.658 -2.117 -9.264 463 H GLU 80 H GLU 80 -5.340 -4.538 -6.060 464 HA GLU 80 HA GLU 80 -7.428 -6.124 -6.944 465 HB2 GLU 80 HB2 GLU 80 -5.660 -7.861 -7.316 466 HB3 GLU 80 HB3 GLU 80 -5.244 -7.760 -5.611 467 HG2 GLU 80 HG2 GLU 80 -7.516 -8.508 -5.037 468 HG3 GLU 80 HG3 GLU 80 -7.877 -8.666 -6.755 469 H ASP 81 H ASP 81 -8.648 -6.999 -4.954 470 HA ASP 81 HA ASP 81 -8.518 -4.931 -2.932 471 HB2 ASP 81 HB2 ASP 81 -10.227 -7.423 -3.090 472 HB3 ASP 81 HB3 ASP 81 -10.273 -6.276 -1.759 473 H LEU 82 H LEU 82 -7.601 -5.101 -1.030 474 HA LEU 82 HA LEU 82 -6.498 -5.883 0.785 475 HB2 LEU 82 HB2 LEU 82 -7.445 -8.632 -0.015 476 HB3 LEU 82 HB3 LEU 82 -6.989 -8.093 1.583 477 HG LEU 82 HG LEU 82 -9.207 -7.995 1.888 478 HD11 LEU 82 HD11 LEU 82 -8.931 -5.458 0.334 479 HD12 LEU 82 HD12 LEU 82 -8.619 -5.676 2.056 480 HD13 LEU 82 HD13 LEU 82 -10.256 -5.857 1.427 481 HD21 LEU 82 HD21 LEU 82 -9.511 -7.762 -1.061 482 HD22 LEU 82 HD22 LEU 82 -10.870 -7.688 0.059 483 HD23 LEU 82 HD23 LEU 82 -9.873 -9.140 -0.025 484 H CYS 83 H CYS 83 -5.483 -6.620 -2.250 485 HA CYS 83 HA CYS 83 -3.537 -8.522 -1.750 486 HB2 CYS 83 HB2 CYS 83 -4.364 -7.951 -4.006 487 HB3 CYS 83 HB3 CYS 83 -3.499 -6.420 -3.926 488 H ASN 84 H ASN 84 -3.515 -5.394 -0.592 489 HA ASN 84 HA ASN 84 -0.602 -5.104 -0.793 490 HB2 ASN 84 HB2 ASN 84 -0.801 -2.866 -0.050 491 HB3 ASN 84 HB3 ASN 84 -2.069 -3.087 -1.246 492 HD21 ASN 84 HD21 ASN 84 -1.734 -1.205 0.999 493 HD22 ASN 84 HD22 ASN 84 -3.186 -1.346 1.939 494 H ARG 85 H ARG 85 -2.189 -7.083 0.824 495 HA ARG 85 HA ARG 85 -1.837 -6.331 3.605 496 HB2 ARG 85 HB2 ARG 85 -3.590 -7.982 2.715 497 HB3 ARG 85 HB3 ARG 85 -2.262 -9.113 2.509 498 HG2 ARG 85 HG2 ARG 85 -1.821 -8.497 5.044 499 HG3 ARG 85 HG3 ARG 85 -3.544 -8.117 4.991 500 HD2 ARG 85 HD2 ARG 85 -3.376 -10.380 5.670 501 HD3 ARG 85 HD3 ARG 85 -3.893 -10.404 3.984 502 HE ARG 85 HE ARG 85 -1.061 -10.548 4.174 503 HH11 ARG 85 HH11 ARG 85 -3.945 -12.496 4.588 504 HH12 ARG 85 HH12 ARG 85 -3.131 -13.991 4.280 505 HH21 ARG 85 HH21 ARG 85 0.016 -12.498 3.776 506 HH22 ARG 85 HH22 ARG 85 -0.862 -13.995 3.807 507 H SER 86 H SER 86 -0.324 -7.521 4.993 508 HA SER 86 HA SER 86 2.269 -7.700 3.988 509 HB2 SER 86 HB2 SER 86 2.581 -9.028 6.244 510 HB3 SER 86 HB3 SER 86 2.200 -7.305 6.266 511 HG SER 86 HG SER 86 0.749 -8.163 7.621 512 H GLU 87 H GLU 87 3.375 -9.308 3.025 513 HA GLU 87 HA GLU 87 2.284 -11.566 2.093 514 HB2 GLU 87 HB2 GLU 87 5.189 -11.651 2.849 515 HB3 GLU 87 HB3 GLU 87 4.408 -12.245 1.392 516 HG2 GLU 87 HG2 GLU 87 5.014 -9.390 2.115 517 HG3 GLU 87 HG3 GLU 87 5.717 -10.346 0.811 518 H GLN 88 H GLN 88 4.196 -11.362 5.074 519 HA GLN 88 HA GLN 88 3.158 -13.980 5.838 520 HB2 GLN 88 HB2 GLN 88 5.305 -14.585 6.881 521 HB3 GLN 88 HB3 GLN 88 5.461 -14.397 5.140 522 HG2 GLN 88 HG2 GLN 88 6.385 -12.142 5.493 523 HG3 GLN 88 HG3 GLN 88 6.290 -12.399 7.234 524 HE21 GLN 88 HE21 GLN 88 7.934 -13.227 4.298 525 HE22 GLN 88 HE22 GLN 88 9.277 -14.022 5.036 Start of MODEL 18 1 H MET 18 H MET 18 -12.083 3.517 -11.133 2 HA MET 18 HA MET 18 -12.707 1.349 -10.697 3 HB2 MET 18 HB2 MET 18 -11.075 0.229 -12.109 4 HB3 MET 18 HB3 MET 18 -9.780 0.655 -11.001 5 HG2 MET 18 HG2 MET 18 -10.774 -0.751 -9.280 6 HG3 MET 18 HG3 MET 18 -12.097 -1.161 -10.371 7 HE1 MET 18 HE1 MET 18 -10.006 -4.487 -10.129 8 HE2 MET 18 HE2 MET 18 -11.585 -3.742 -9.880 9 HE3 MET 18 HE3 MET 18 -10.229 -3.302 -8.841 10 H ALA 19 H ALA 19 -13.333 2.055 -8.674 11 HA ALA 19 HA ALA 19 -11.616 2.617 -6.618 12 HB1 ALA 19 HB1 ALA 19 -13.528 2.387 -5.141 13 HB2 ALA 19 HB2 ALA 19 -14.393 1.464 -6.369 14 HB3 ALA 19 HB3 ALA 19 -14.014 3.164 -6.647 15 H LEU 20 H LEU 20 -10.046 1.310 -5.921 16 HA LEU 20 HA LEU 20 -10.570 -1.567 -5.609 17 HB2 LEU 20 HB2 LEU 20 -8.547 -0.791 -6.921 18 HB3 LEU 20 HB3 LEU 20 -7.925 -0.119 -5.427 19 HG LEU 20 HG LEU 20 -7.908 -2.397 -4.442 20 HD11 LEU 20 HD11 LEU 20 -8.670 -3.249 -7.233 21 HD12 LEU 20 HD12 LEU 20 -9.669 -3.400 -5.787 22 HD13 LEU 20 HD13 LEU 20 -8.173 -4.325 -5.928 23 HD21 LEU 20 HD21 LEU 20 -5.988 -3.208 -5.714 24 HD22 LEU 20 HD22 LEU 20 -5.899 -1.463 -5.467 25 HD23 LEU 20 HD23 LEU 20 -6.392 -2.110 -7.033 26 H LYS 21 H LYS 21 -10.283 -2.493 -3.478 27 HA LYS 21 HA LYS 21 -10.210 -0.501 -1.389 28 HB2 LYS 21 HB2 LYS 21 -10.929 -3.430 -1.327 29 HB3 LYS 21 HB3 LYS 21 -11.135 -2.298 0.007 30 HG2 LYS 21 HG2 LYS 21 -12.743 -1.033 -1.228 31 HG3 LYS 21 HG3 LYS 21 -12.437 -1.981 -2.685 32 HD2 LYS 21 HD2 LYS 21 -13.519 -3.099 -0.115 33 HD3 LYS 21 HD3 LYS 21 -14.511 -2.610 -1.489 34 HE2 LYS 21 HE2 LYS 21 -12.428 -4.779 -1.429 35 HE3 LYS 21 HE3 LYS 21 -14.173 -4.991 -1.549 36 HZ1 LYS 21 HZ1 LYS 21 -12.534 -3.576 -3.578 37 HZ2 LYS 21 HZ2 LYS 21 -14.160 -4.026 -3.716 38 HZ3 LYS 21 HZ3 LYS 21 -12.945 -5.213 -3.687 39 H CYS 22 H CYS 22 -8.390 -0.041 -0.408 40 HA CYS 22 HA CYS 22 -6.435 -2.195 -0.002 41 HB2 CYS 22 HB2 CYS 22 -5.666 0.722 -0.137 42 HB3 CYS 22 HB3 CYS 22 -4.615 -0.687 -0.176 43 H PHE 23 H PHE 23 -4.999 -1.483 2.018 44 HA PHE 23 HA PHE 23 -6.967 -1.056 4.138 45 HB2 PHE 23 HB2 PHE 23 -4.112 -2.029 4.173 46 HB3 PHE 23 HB3 PHE 23 -4.976 -1.578 5.636 47 HD1 PHE 23 HD1 PHE 23 -4.779 -4.010 2.890 48 HD2 PHE 23 HD2 PHE 23 -6.645 -2.986 6.572 49 HE1 PHE 23 HE1 PHE 23 -5.683 -6.291 3.062 50 HE2 PHE 23 HE2 PHE 23 -7.546 -5.265 6.756 51 HZ PHE 23 HZ PHE 23 -7.068 -6.922 4.997 52 H THR 24 H THR 24 -7.110 0.846 5.128 53 HA THR 24 HA THR 24 -4.938 2.781 4.776 54 HB THR 24 HB THR 24 -6.685 4.306 5.979 55 HG1 THR 24 HG1 THR 24 -8.620 2.702 4.764 56 HG21 THR 24 HG21 THR 24 -7.720 4.852 3.820 57 HG22 THR 24 HG22 THR 24 -7.115 3.336 3.150 58 HG23 THR 24 HG23 THR 24 -5.984 4.591 3.658 59 H ARG 25 H ARG 25 -3.741 3.496 6.525 60 HA ARG 25 HA ARG 25 -3.871 1.702 8.829 61 HB2 ARG 25 HB2 ARG 25 -1.726 2.394 7.471 62 HB3 ARG 25 HB3 ARG 25 -1.800 3.840 8.466 63 HG2 ARG 25 HG2 ARG 25 -0.288 2.224 9.433 64 HG3 ARG 25 HG3 ARG 25 -1.693 2.443 10.480 65 HD2 ARG 25 HD2 ARG 25 -2.653 0.392 9.756 66 HD3 ARG 25 HD3 ARG 25 -1.474 0.226 8.457 67 HE ARG 25 HE ARG 25 0.199 -0.286 10.099 68 HH11 ARG 25 HH11 ARG 25 -3.064 -0.111 11.359 69 HH12 ARG 25 HH12 ARG 25 -2.724 -1.117 12.733 70 HH21 ARG 25 HH21 ARG 25 0.651 -1.630 11.857 71 HH22 ARG 25 HH22 ARG 25 -0.598 -1.981 13.022 72 H ASN 26 H ASN 26 -5.117 2.345 10.472 73 HA ASN 26 HA ASN 26 -5.306 5.227 11.016 74 HB2 ASN 26 HB2 ASN 26 -7.556 3.210 11.225 75 HB3 ASN 26 HB3 ASN 26 -7.635 4.859 11.836 76 HD21 ASN 26 HD21 ASN 26 -7.880 2.823 9.095 77 HD22 ASN 26 HD22 ASN 26 -8.267 4.051 7.942 78 H GLY 27 H GLY 27 -3.609 4.936 12.505 79 HA2 GLY 27 HA2 GLY 27 -2.933 4.844 14.725 80 HA3 GLY 27 HA3 GLY 27 -4.525 4.232 15.161 81 H ASP 28 H ASP 28 -4.544 2.216 15.851 82 HA ASP 28 HA ASP 28 -2.284 0.471 15.265 83 HB2 ASP 28 HB2 ASP 28 -3.282 -0.995 16.990 84 HB3 ASP 28 HB3 ASP 28 -3.005 0.637 17.587 85 H ASP 29 H ASP 29 -5.576 0.937 14.353 86 HA ASP 29 HA ASP 29 -5.862 -1.702 13.263 87 HB2 ASP 29 HB2 ASP 29 -7.823 -0.684 14.202 88 HB3 ASP 29 HB3 ASP 29 -7.643 0.740 13.182 89 H ARG 30 H ARG 30 -6.609 -2.047 11.051 90 HA ARG 30 HA ARG 30 -5.611 -0.144 9.121 91 HB2 ARG 30 HB2 ARG 30 -4.926 -2.160 7.637 92 HB3 ARG 30 HB3 ARG 30 -3.798 -1.582 8.852 93 HG2 ARG 30 HG2 ARG 30 -4.486 -3.380 10.353 94 HG3 ARG 30 HG3 ARG 30 -5.622 -3.960 9.131 95 HD2 ARG 30 HD2 ARG 30 -3.979 -4.804 7.804 96 HD3 ARG 30 HD3 ARG 30 -2.804 -3.589 8.305 97 HE ARG 30 HE ARG 30 -3.554 -5.945 9.916 98 HH11 ARG 30 HH11 ARG 30 -1.282 -3.517 8.876 99 HH12 ARG 30 HH12 ARG 30 0.040 -4.123 9.839 100 HH21 ARG 30 HH21 ARG 30 -1.805 -6.788 11.187 101 HH22 ARG 30 HH22 ARG 30 -0.265 -5.994 11.132 102 H THR 31 H THR 31 -7.423 0.427 8.201 103 HA THR 31 HA THR 31 -9.666 -1.378 8.268 104 HB THR 31 HB THR 31 -9.759 1.446 7.252 105 HG1 THR 31 HG1 THR 31 -9.448 0.558 9.962 106 HG21 THR 31 HG21 THR 31 -11.950 1.422 8.371 107 HG22 THR 31 HG22 THR 31 -11.658 -0.238 8.893 108 HG23 THR 31 HG23 THR 31 -11.816 0.133 7.175 109 H VAL 32 H VAL 32 -10.723 -2.240 6.558 110 HA VAL 32 HA VAL 32 -9.536 -2.112 3.919 111 HB VAL 32 HB VAL 32 -12.114 -3.417 4.831 112 HG11 VAL 32 HG11 VAL 32 -12.172 -2.870 2.460 113 HG12 VAL 32 HG12 VAL 32 -12.032 -4.613 2.691 114 HG13 VAL 32 HG13 VAL 32 -10.618 -3.668 2.223 115 HG21 VAL 32 HG21 VAL 32 -10.884 -5.517 4.670 116 HG22 VAL 32 HG22 VAL 32 -10.143 -4.433 5.849 117 HG23 VAL 32 HG23 VAL 32 -9.417 -4.631 4.254 118 H THR 33 H THR 33 -9.792 -0.128 3.021 119 HA THR 33 HA THR 33 -12.532 0.918 2.921 120 HB THR 33 HB THR 33 -11.322 3.120 2.427 121 HG1 THR 33 HG1 THR 33 -9.242 1.792 2.165 122 HG21 THR 33 HG21 THR 33 -10.928 1.819 5.124 123 HG22 THR 33 HG22 THR 33 -12.406 2.607 4.570 124 HG23 THR 33 HG23 THR 33 -10.935 3.553 4.800 125 H THR 34 H THR 34 -13.380 1.677 1.023 126 HA THR 34 HA THR 34 -12.162 0.653 -1.416 127 HB THR 34 HB THR 34 -14.484 0.207 -1.370 128 HG1 THR 34 HG1 THR 34 -13.928 2.489 -2.974 129 HG21 THR 34 HG21 THR 34 -16.204 1.875 -0.946 130 HG22 THR 34 HG22 THR 34 -14.967 3.105 -0.688 131 HG23 THR 34 HG23 THR 34 -15.104 1.744 0.425 132 H CYS 35 H CYS 35 -10.814 1.881 -2.471 133 HA CYS 35 HA CYS 35 -10.452 4.620 -1.594 134 HB2 CYS 35 HB2 CYS 35 -8.708 3.160 -3.561 135 HB3 CYS 35 HB3 CYS 35 -8.259 4.390 -2.382 136 H ALA 36 H ALA 36 -9.407 5.965 -3.686 137 HA ALA 36 HA ALA 36 -11.851 6.685 -5.029 138 HB1 ALA 36 HB1 ALA 36 -10.278 8.389 -4.234 139 HB2 ALA 36 HB2 ALA 36 -10.579 8.518 -5.967 140 HB3 ALA 36 HB3 ALA 36 -9.076 7.804 -5.384 141 H GLU 37 H GLU 37 -12.055 6.926 -7.309 142 HA GLU 37 HA GLU 37 -11.650 4.688 -8.779 143 HB2 GLU 37 HB2 GLU 37 -12.307 7.502 -9.461 144 HB3 GLU 37 HB3 GLU 37 -11.910 6.417 -10.785 145 HG2 GLU 37 HG2 GLU 37 -14.056 5.935 -8.731 146 HG3 GLU 37 HG3 GLU 37 -14.320 6.544 -10.367 147 H GLU 38 H GLU 38 -9.447 7.404 -8.522 148 HA GLU 38 HA GLU 38 -7.847 6.659 -10.755 149 HB2 GLU 38 HB2 GLU 38 -6.278 8.350 -9.956 150 HB3 GLU 38 HB3 GLU 38 -7.926 8.968 -10.016 151 HG2 GLU 38 HG2 GLU 38 -8.168 8.675 -7.659 152 HG3 GLU 38 HG3 GLU 38 -6.584 7.920 -7.555 153 H GLN 39 H GLN 39 -8.038 5.558 -7.528 154 HA GLN 39 HA GLN 39 -5.174 4.972 -7.357 155 HB2 GLN 39 HB2 GLN 39 -7.212 4.446 -5.202 156 HB3 GLN 39 HB3 GLN 39 -5.471 4.657 -5.040 157 HG2 GLN 39 HG2 GLN 39 -5.698 7.007 -5.654 158 HG3 GLN 39 HG3 GLN 39 -7.436 6.797 -5.815 159 HE21 GLN 39 HE21 GLN 39 -4.806 7.264 -3.685 160 HE22 GLN 39 HE22 GLN 39 -5.734 7.419 -2.232 161 H THR 40 H THR 40 -5.228 3.394 -8.953 162 HA THR 40 HA THR 40 -6.762 1.006 -8.459 163 HB THR 40 HB THR 40 -5.433 0.436 -10.707 164 HG1 THR 40 HG1 THR 40 -5.667 3.156 -11.185 165 HG21 THR 40 HG21 THR 40 -7.866 0.640 -10.501 166 HG22 THR 40 HG22 THR 40 -7.286 1.458 -11.952 167 HG23 THR 40 HG23 THR 40 -7.726 2.398 -10.526 168 H ARG 41 H ARG 41 -4.248 1.810 -6.881 169 HA ARG 41 HA ARG 41 -3.073 -0.832 -6.985 170 HB2 ARG 41 HB2 ARG 41 -1.634 1.176 -8.129 171 HB3 ARG 41 HB3 ARG 41 -1.102 1.307 -6.468 172 HG2 ARG 41 HG2 ARG 41 0.377 -0.077 -7.767 173 HG3 ARG 41 HG3 ARG 41 -0.409 -1.018 -6.502 174 HD2 ARG 41 HD2 ARG 41 -1.853 -2.068 -8.046 175 HD3 ARG 41 HD3 ARG 41 -1.453 -0.924 -9.325 176 HE ARG 41 HE ARG 41 0.739 -2.553 -8.315 177 HH11 ARG 41 HH11 ARG 41 -1.721 -2.110 -10.772 178 HH12 ARG 41 HH12 ARG 41 -0.925 -3.117 -11.935 179 HH21 ARG 41 HH21 ARG 41 1.792 -3.883 -9.846 180 HH22 ARG 41 HH22 ARG 41 1.080 -4.133 -11.406 181 H CYS 42 H CYS 42 -1.406 -0.784 -4.979 182 HA CYS 42 HA CYS 42 -2.696 0.495 -2.752 183 HB2 CYS 42 HB2 CYS 42 -2.272 -2.506 -2.740 184 HB3 CYS 42 HB3 CYS 42 -2.792 -1.535 -1.372 185 H LEU 43 H LEU 43 -1.172 1.000 -1.185 186 HA LEU 43 HA LEU 43 1.592 0.423 -2.019 187 HB2 LEU 43 HB2 LEU 43 0.547 2.843 -1.730 188 HB3 LEU 43 HB3 LEU 43 0.915 2.553 -0.044 189 HG LEU 43 HG LEU 43 2.844 2.739 -2.343 190 HD11 LEU 43 HD11 LEU 43 3.802 4.557 -1.035 191 HD12 LEU 43 HD12 LEU 43 2.547 4.332 0.183 192 HD13 LEU 43 HD13 LEU 43 2.113 4.855 -1.445 193 HD21 LEU 43 HD21 LEU 43 3.574 0.905 -0.947 194 HD22 LEU 43 HD22 LEU 43 3.444 1.926 0.485 195 HD23 LEU 43 HD23 LEU 43 4.639 2.296 -0.758 196 H PHE 44 H PHE 44 2.505 -1.130 -0.822 197 HA PHE 44 HA PHE 44 2.175 -0.922 2.091 198 HB2 PHE 44 HB2 PHE 44 1.094 -2.968 1.450 199 HB3 PHE 44 HB3 PHE 44 2.434 -3.417 0.400 200 HD1 PHE 44 HD1 PHE 44 1.453 -2.961 3.946 201 HD2 PHE 44 HD2 PHE 44 4.291 -4.594 1.231 202 HE1 PHE 44 HE1 PHE 44 2.507 -4.205 5.791 203 HE2 PHE 44 HE2 PHE 44 5.348 -5.835 3.068 204 HZ PHE 44 HZ PHE 44 4.463 -5.646 5.351 205 H VAL 45 H VAL 45 3.987 -0.176 2.939 206 HA VAL 45 HA VAL 45 6.538 -0.983 1.712 207 HB VAL 45 HB VAL 45 6.163 1.318 3.644 208 HG11 VAL 45 HG11 VAL 45 8.551 0.442 2.034 209 HG12 VAL 45 HG12 VAL 45 8.355 0.291 3.781 210 HG13 VAL 45 HG13 VAL 45 8.464 1.888 3.041 211 HG21 VAL 45 HG21 VAL 45 6.640 1.419 0.668 212 HG22 VAL 45 HG22 VAL 45 6.553 2.804 1.755 213 HG23 VAL 45 HG23 VAL 45 5.121 1.814 1.470 214 H GLN 46 H GLN 46 7.960 -2.074 2.978 215 HA GLN 46 HA GLN 46 6.746 -3.326 5.331 216 HB2 GLN 46 HB2 GLN 46 7.256 -5.026 3.871 217 HB3 GLN 46 HB3 GLN 46 8.638 -4.185 3.199 218 HG2 GLN 46 HG2 GLN 46 9.353 -6.148 4.364 219 HG3 GLN 46 HG3 GLN 46 9.922 -4.718 5.193 220 HE21 GLN 46 HE21 GLN 46 6.608 -5.724 5.407 221 HE22 GLN 46 HE22 GLN 46 6.653 -6.235 7.057 222 H LEU 47 H LEU 47 7.471 -2.756 7.272 223 HA LEU 47 HA LEU 47 10.048 -1.349 7.459 224 HB2 LEU 47 HB2 LEU 47 7.502 -0.890 9.015 225 HB3 LEU 47 HB3 LEU 47 9.058 -0.311 9.567 226 HG LEU 47 HG LEU 47 7.886 1.502 8.550 227 HD11 LEU 47 HD11 LEU 47 10.276 1.445 8.159 228 HD12 LEU 47 HD12 LEU 47 9.436 2.158 6.782 229 HD13 LEU 47 HD13 LEU 47 10.029 0.500 6.690 230 HD21 LEU 47 HD21 LEU 47 7.613 -0.231 6.106 231 HD22 LEU 47 HD22 LEU 47 7.177 1.474 6.206 232 HD23 LEU 47 HD23 LEU 47 6.313 0.284 7.180 233 HA PRO 48 HA PRO 48 11.375 -4.532 10.157 234 HB2 PRO 48 HB2 PRO 48 12.677 -2.602 11.938 235 HB3 PRO 48 HB3 PRO 48 13.401 -3.796 10.860 236 HG2 PRO 48 HG2 PRO 48 13.538 -1.162 10.355 237 HG3 PRO 48 HG3 PRO 48 13.407 -2.361 9.056 238 HD2 PRO 48 HD2 PRO 48 11.275 -0.629 10.258 239 HD3 PRO 48 HD3 PRO 48 11.585 -1.010 8.549 240 H TYR 49 H TYR 49 8.773 -3.105 11.061 241 HA TYR 49 HA TYR 49 8.396 -4.283 13.453 242 HB2 TYR 49 HB2 TYR 49 8.384 -2.462 15.130 243 HB3 TYR 49 HB3 TYR 49 9.998 -2.794 14.517 244 HD1 TYR 49 HD1 TYR 49 10.993 -1.212 12.814 245 HD2 TYR 49 HD2 TYR 49 7.436 -0.308 14.965 246 HE1 TYR 49 HE1 TYR 49 11.280 1.165 12.274 247 HE2 TYR 49 HE2 TYR 49 7.711 2.075 14.429 248 HH TYR 49 HH TYR 49 9.902 3.194 12.093 249 H SER 50 H SER 50 7.627 -1.600 11.397 250 HA SER 50 HA SER 50 4.788 -1.963 12.046 251 HB2 SER 50 HB2 SER 50 4.512 0.485 11.449 252 HB3 SER 50 HB3 SER 50 5.379 0.180 12.953 253 HG SER 50 HG SER 50 6.218 1.665 11.045 254 H GLU 51 H GLU 51 3.519 -0.781 10.034 255 HA GLU 51 HA GLU 51 5.038 -1.201 7.562 256 HB2 GLU 51 HB2 GLU 51 3.202 -2.488 6.650 257 HB3 GLU 51 HB3 GLU 51 3.736 -3.219 8.155 258 HG2 GLU 51 HG2 GLU 51 1.363 -1.383 7.960 259 HG3 GLU 51 HG3 GLU 51 1.256 -3.132 7.795 260 H ILE 52 H ILE 52 4.179 -0.217 5.697 261 HA ILE 52 HA ILE 52 2.590 2.195 6.267 262 HB ILE 52 HB ILE 52 4.520 1.588 4.053 263 HG12 ILE 52 HG12 ILE 52 5.553 2.365 6.098 264 HG13 ILE 52 HG13 ILE 52 5.611 3.629 4.885 265 HG21 ILE 52 HG21 ILE 52 2.606 2.679 3.056 266 HG22 ILE 52 HG22 ILE 52 3.981 3.782 3.110 267 HG23 ILE 52 HG23 ILE 52 2.672 3.948 4.279 268 HD11 ILE 52 HD11 ILE 52 3.751 4.766 5.929 269 HD12 ILE 52 HD12 ILE 52 5.070 4.523 7.074 270 HD13 ILE 52 HD13 ILE 52 3.643 3.489 7.140 271 H GLN 53 H GLN 53 0.669 2.477 5.098 272 HA GLN 53 HA GLN 53 -0.039 0.538 3.151 273 HB2 GLN 53 HB2 GLN 53 -1.680 0.607 5.693 274 HB3 GLN 53 HB3 GLN 53 -2.138 -0.226 4.215 275 HG2 GLN 53 HG2 GLN 53 -0.083 -1.616 4.445 276 HG3 GLN 53 HG3 GLN 53 0.191 -0.857 6.012 277 HE21 GLN 53 HE21 GLN 53 -1.761 -3.063 4.192 278 HE22 GLN 53 HE22 GLN 53 -2.589 -3.757 5.538 279 H GLU 54 H GLU 54 -1.131 1.563 1.651 280 HA GLU 54 HA GLU 54 -3.206 3.491 2.245 281 HB2 GLU 54 HB2 GLU 54 -1.892 5.064 0.527 282 HB3 GLU 54 HB3 GLU 54 -1.682 5.218 2.256 283 HG2 GLU 54 HG2 GLU 54 0.169 3.288 1.465 284 HG3 GLU 54 HG3 GLU 54 0.227 4.545 0.215 285 H CYS 55 H CYS 55 -4.476 4.001 0.356 286 HA CYS 55 HA CYS 55 -3.997 2.382 -1.965 287 HB2 CYS 55 HB2 CYS 55 -5.975 4.644 -1.894 288 HB3 CYS 55 HB3 CYS 55 -6.098 3.087 -2.700 289 H LYS 56 H LYS 56 -3.086 3.041 -3.844 290 HA LYS 56 HA LYS 56 -2.599 5.867 -4.195 291 HB2 LYS 56 HB2 LYS 56 -0.438 3.927 -3.818 292 HB3 LYS 56 HB3 LYS 56 -0.308 4.824 -5.325 293 HG2 LYS 56 HG2 LYS 56 0.944 5.950 -3.617 294 HG3 LYS 56 HG3 LYS 56 -0.460 6.930 -4.042 295 HD2 LYS 56 HD2 LYS 56 -1.644 6.092 -2.081 296 HD3 LYS 56 HD3 LYS 56 -0.254 5.095 -1.677 297 HE2 LYS 56 HE2 LYS 56 1.109 7.146 -1.450 298 HE3 LYS 56 HE3 LYS 56 -0.323 8.089 -1.795 299 HZ1 LYS 56 HZ1 LYS 56 -1.311 6.910 0.207 300 HZ2 LYS 56 HZ2 LYS 56 -0.185 8.139 0.477 301 HZ3 LYS 56 HZ3 LYS 56 0.294 6.523 0.605 302 H THR 57 H THR 57 -1.611 6.017 -6.577 303 HA THR 57 HA THR 57 -3.582 4.546 -8.183 304 HB THR 57 HB THR 57 -3.082 6.017 -10.015 305 HG1 THR 57 HG1 THR 57 -1.460 7.834 -9.003 306 HG21 THR 57 HG21 THR 57 -4.637 6.917 -8.367 307 HG22 THR 57 HG22 THR 57 -3.680 8.210 -9.091 308 HG23 THR 57 HG23 THR 57 -3.294 7.628 -7.472 309 H VAL 58 H VAL 58 -2.719 3.245 -9.990 310 HA VAL 58 HA VAL 58 -0.579 1.713 -9.434 311 HB VAL 58 HB VAL 58 -1.503 2.453 -12.230 312 HG11 VAL 58 HG11 VAL 58 -0.444 0.365 -12.956 313 HG12 VAL 58 HG12 VAL 58 0.206 0.132 -11.333 314 HG13 VAL 58 HG13 VAL 58 0.739 1.500 -12.309 315 HG21 VAL 58 HG21 VAL 58 -2.196 0.125 -10.442 316 HG22 VAL 58 HG22 VAL 58 -2.735 0.334 -12.108 317 HG23 VAL 58 HG23 VAL 58 -3.255 1.472 -10.864 318 H GLN 59 H GLN 59 -0.452 4.819 -11.158 319 HA GLN 59 HA GLN 59 2.283 4.505 -12.023 320 HB2 GLN 59 HB2 GLN 59 0.826 6.010 -13.272 321 HB3 GLN 59 HB3 GLN 59 0.555 6.978 -11.825 322 HG2 GLN 59 HG2 GLN 59 3.060 7.350 -11.764 323 HG3 GLN 59 HG3 GLN 59 3.096 6.669 -13.398 324 HE21 GLN 59 HE21 GLN 59 2.429 9.390 -11.464 325 HE22 GLN 59 HE22 GLN 59 1.947 10.465 -12.739 326 H GLN 60 H GLN 60 0.687 6.678 -9.682 327 HA GLN 60 HA GLN 60 2.945 7.674 -8.495 328 HB2 GLN 60 HB2 GLN 60 0.271 7.062 -7.207 329 HB3 GLN 60 HB3 GLN 60 1.533 8.002 -6.430 330 HG2 GLN 60 HG2 GLN 60 1.340 9.740 -8.039 331 HG3 GLN 60 HG3 GLN 60 0.280 8.758 -9.055 332 HE21 GLN 60 HE21 GLN 60 -1.366 10.304 -8.986 333 HE22 GLN 60 HE22 GLN 60 -2.335 10.548 -7.576 334 H CYS 61 H CYS 61 1.314 4.622 -7.757 335 HA CYS 61 HA CYS 61 2.859 4.194 -5.361 336 HB2 CYS 61 HB2 CYS 61 0.539 3.109 -6.241 337 HB3 CYS 61 HB3 CYS 61 1.669 1.858 -6.750 338 H ALA 62 H ALA 62 3.291 3.599 -8.780 339 HA ALA 62 HA ALA 62 5.449 1.685 -8.425 340 HB1 ALA 62 HB1 ALA 62 5.850 1.998 -10.812 341 HB2 ALA 62 HB2 ALA 62 4.675 3.313 -10.847 342 HB3 ALA 62 HB3 ALA 62 4.145 1.667 -10.503 343 H GLU 63 H GLU 63 5.018 5.118 -9.117 344 HA GLU 63 HA GLU 63 7.625 6.009 -9.232 345 HB2 GLU 63 HB2 GLU 63 5.109 7.259 -8.113 346 HB3 GLU 63 HB3 GLU 63 6.588 8.165 -8.307 347 HG2 GLU 63 HG2 GLU 63 6.535 7.774 -10.709 348 HG3 GLU 63 HG3 GLU 63 5.071 6.812 -10.519 349 H VAL 64 H VAL 64 5.558 6.046 -6.355 350 HA VAL 64 HA VAL 64 7.498 6.562 -4.536 351 HB VAL 64 HB VAL 64 5.796 6.187 -2.966 352 HG11 VAL 64 HG11 VAL 64 5.463 8.114 -4.392 353 HG12 VAL 64 HG12 VAL 64 3.935 7.452 -3.814 354 HG13 VAL 64 HG13 VAL 64 4.468 7.124 -5.465 355 HG21 VAL 64 HG21 VAL 64 5.067 4.048 -3.349 356 HG22 VAL 64 HG22 VAL 64 4.573 4.449 -4.988 357 HG23 VAL 64 HG23 VAL 64 3.654 5.072 -3.613 358 H LEU 65 H LEU 65 6.295 3.477 -5.732 359 HA LEU 65 HA LEU 65 7.413 1.740 -3.990 360 HB2 LEU 65 HB2 LEU 65 6.118 1.248 -6.139 361 HB3 LEU 65 HB3 LEU 65 7.654 1.359 -6.972 362 HG LEU 65 HG LEU 65 8.503 -0.505 -5.552 363 HD11 LEU 65 HD11 LEU 65 5.631 -0.623 -4.652 364 HD12 LEU 65 HD12 LEU 65 7.028 -0.223 -3.653 365 HD13 LEU 65 HD13 LEU 65 6.859 -1.845 -4.322 366 HD21 LEU 65 HD21 LEU 65 7.237 -2.266 -6.690 367 HD22 LEU 65 HD22 LEU 65 7.646 -0.947 -7.788 368 HD23 LEU 65 HD23 LEU 65 6.009 -1.086 -7.147 369 H GLU 66 H GLU 66 9.026 3.320 -6.715 370 HA GLU 66 HA GLU 66 11.512 2.056 -6.169 371 HB2 GLU 66 HB2 GLU 66 10.880 2.731 -8.446 372 HB3 GLU 66 HB3 GLU 66 10.903 4.416 -7.952 373 HG2 GLU 66 HG2 GLU 66 13.299 4.253 -7.502 374 HG3 GLU 66 HG3 GLU 66 13.274 2.561 -7.998 375 H GLU 67 H GLU 67 10.122 5.127 -5.207 376 HA GLU 67 HA GLU 67 12.563 6.409 -4.584 377 HB2 GLU 67 HB2 GLU 67 11.201 7.946 -3.299 378 HB3 GLU 67 HB3 GLU 67 10.423 7.588 -4.841 379 HG2 GLU 67 HG2 GLU 67 9.015 6.013 -3.831 380 HG3 GLU 67 HG3 GLU 67 9.810 6.229 -2.286 381 H VAL 68 H VAL 68 10.248 4.597 -2.543 382 HA VAL 68 HA VAL 68 11.988 4.574 -0.354 383 HB VAL 68 HB VAL 68 10.480 2.890 0.656 384 HG11 VAL 68 HG11 VAL 68 8.486 4.311 0.720 385 HG12 VAL 68 HG12 VAL 68 9.084 5.208 -0.677 386 HG13 VAL 68 HG13 VAL 68 9.968 5.259 0.849 387 HG21 VAL 68 HG21 VAL 68 9.032 3.012 -1.987 388 HG22 VAL 68 HG22 VAL 68 8.468 2.188 -0.532 389 HG23 VAL 68 HG23 VAL 68 9.923 1.627 -1.358 390 H THR 69 H THR 69 11.583 2.199 -2.958 391 HA THR 69 HA THR 69 13.075 0.204 -1.657 392 HB THR 69 HB THR 69 13.308 -0.791 -3.964 393 HG1 THR 69 HG1 THR 69 11.360 1.037 -4.803 394 HG21 THR 69 HG21 THR 69 10.540 -0.117 -2.994 395 HG22 THR 69 HG22 THR 69 11.540 -1.452 -2.422 396 HG23 THR 69 HG23 THR 69 10.957 -1.438 -4.086 397 H ALA 70 H ALA 70 14.004 2.829 -3.805 398 HA ALA 70 HA ALA 70 16.660 2.139 -4.103 399 HB1 ALA 70 HB1 ALA 70 17.065 4.499 -4.610 400 HB2 ALA 70 HB2 ALA 70 15.495 4.918 -3.921 401 HB3 ALA 70 HB3 ALA 70 15.584 3.923 -5.375 402 H ILE 71 H ILE 71 15.023 3.299 -1.329 403 HA ILE 71 HA ILE 71 17.396 4.169 0.079 404 HB ILE 71 HB ILE 71 14.697 3.546 1.289 405 HG12 ILE 71 HG12 ILE 71 15.635 6.180 0.138 406 HG13 ILE 71 HG13 ILE 71 14.463 5.116 -0.625 407 HG21 ILE 71 HG21 ILE 71 16.534 3.849 2.870 408 HG22 ILE 71 HG22 ILE 71 15.379 5.177 2.981 409 HG23 ILE 71 HG23 ILE 71 16.913 5.411 2.140 410 HD11 ILE 71 HD11 ILE 71 13.377 6.966 0.511 411 HD12 ILE 71 HD12 ILE 71 14.124 6.483 2.035 412 HD13 ILE 71 HD13 ILE 71 12.947 5.425 1.255 413 H GLY 72 H GLY 72 15.943 1.237 -0.694 414 HA2 GLY 72 HA2 GLY 72 16.886 -0.824 -0.135 415 HA3 GLY 72 HA3 GLY 72 17.468 -0.131 1.373 416 H TYR 73 H TYR 73 14.238 0.666 0.856 417 HA TYR 73 HA TYR 73 13.506 -1.158 3.017 418 HB2 TYR 73 HB2 TYR 73 12.324 1.397 1.977 419 HB3 TYR 73 HB3 TYR 73 11.365 0.292 2.946 420 HD1 TYR 73 HD1 TYR 73 12.067 -0.220 5.286 421 HD2 TYR 73 HD2 TYR 73 13.950 2.816 2.975 422 HE1 TYR 73 HE1 TYR 73 12.992 0.759 7.339 423 HE2 TYR 73 HE2 TYR 73 14.883 3.803 5.025 424 HH TYR 73 HH TYR 73 14.425 3.846 7.423 425 HA PRO 74 HA PRO 74 11.325 -3.869 0.207 426 HB2 PRO 74 HB2 PRO 74 9.763 -4.314 2.712 427 HB3 PRO 74 HB3 PRO 74 10.507 -5.499 1.653 428 HG2 PRO 74 HG2 PRO 74 11.640 -4.993 3.941 429 HG3 PRO 74 HG3 PRO 74 12.648 -5.082 2.479 430 HD2 PRO 74 HD2 PRO 74 11.625 -2.655 3.914 431 HD3 PRO 74 HD3 PRO 74 13.252 -3.005 3.306 432 H ALA 75 H ALA 75 9.785 -3.090 -1.177 433 HA ALA 75 HA ALA 75 7.254 -2.183 0.021 434 HB1 ALA 75 HB1 ALA 75 8.599 -0.237 -0.562 435 HB2 ALA 75 HB2 ALA 75 7.169 -0.350 -1.589 436 HB3 ALA 75 HB3 ALA 75 8.747 -0.825 -2.218 437 H LYS 76 H LYS 76 5.384 -2.486 -1.196 438 HA LYS 76 HA LYS 76 5.585 -3.744 -3.829 439 HB2 LYS 76 HB2 LYS 76 3.645 -5.293 -2.674 440 HB3 LYS 76 HB3 LYS 76 5.302 -5.792 -2.943 441 HG2 LYS 76 HG2 LYS 76 5.907 -5.265 -0.695 442 HG3 LYS 76 HG3 LYS 76 4.359 -4.474 -0.410 443 HD2 LYS 76 HD2 LYS 76 4.564 -7.391 -1.118 444 HD3 LYS 76 HD3 LYS 76 4.663 -6.817 0.547 445 HE2 LYS 76 HE2 LYS 76 2.458 -5.644 0.133 446 HE3 LYS 76 HE3 LYS 76 2.356 -6.559 -1.371 447 HZ1 LYS 76 HZ1 LYS 76 2.447 -8.605 -0.084 448 HZ2 LYS 76 HZ2 LYS 76 1.151 -7.647 0.418 449 HZ3 LYS 76 HZ3 LYS 76 2.558 -7.731 1.362 450 H CYS 77 H CYS 77 4.299 -2.361 -5.025 451 HA CYS 77 HA CYS 77 1.583 -2.006 -4.008 452 HB2 CYS 77 HB2 CYS 77 2.862 -0.694 -6.422 453 HB3 CYS 77 HB3 CYS 77 1.281 -0.346 -5.754 454 H CYS 78 H CYS 78 0.761 -4.079 -4.431 455 HA CYS 78 HA CYS 78 0.510 -4.770 -7.234 456 HB2 CYS 78 HB2 CYS 78 -0.549 -6.870 -6.211 457 HB3 CYS 78 HB3 CYS 78 1.165 -6.598 -5.912 458 H CYS 79 H CYS 79 -1.739 -5.692 -7.907 459 HA CYS 79 HA CYS 79 -3.655 -3.639 -7.088 460 HB2 CYS 79 HB2 CYS 79 -3.001 -2.964 -9.272 461 HB3 CYS 79 HB3 CYS 79 -3.063 -4.609 -9.883 462 HG CYS 79 HG CYS 79 -5.927 -4.711 -9.518 463 H GLU 80 H GLU 80 -4.864 -4.752 -5.818 464 HA GLU 80 HA GLU 80 -6.843 -6.495 -6.628 465 HB2 GLU 80 HB2 GLU 80 -4.346 -7.847 -5.789 466 HB3 GLU 80 HB3 GLU 80 -5.791 -8.394 -4.957 467 HG2 GLU 80 HG2 GLU 80 -5.413 -8.340 -7.942 468 HG3 GLU 80 HG3 GLU 80 -5.266 -9.765 -6.911 469 H ASP 81 H ASP 81 -8.147 -7.139 -4.661 470 HA ASP 81 HA ASP 81 -8.025 -4.944 -2.776 471 HB2 ASP 81 HB2 ASP 81 -9.783 -7.407 -2.808 472 HB3 ASP 81 HB3 ASP 81 -9.843 -6.167 -1.562 473 H LEU 82 H LEU 82 -7.167 -4.984 -0.831 474 HA LEU 82 HA LEU 82 -6.129 -5.662 1.063 475 HB2 LEU 82 HB2 LEU 82 -7.091 -8.456 0.458 476 HB3 LEU 82 HB3 LEU 82 -6.691 -7.781 2.020 477 HG LEU 82 HG LEU 82 -8.925 -7.659 2.226 478 HD11 LEU 82 HD11 LEU 82 -8.572 -5.245 0.498 479 HD12 LEU 82 HD12 LEU 82 -8.316 -5.335 2.241 480 HD13 LEU 82 HD13 LEU 82 -9.935 -5.556 1.576 481 HD21 LEU 82 HD21 LEU 82 -9.499 -8.940 0.355 482 HD22 LEU 82 HD22 LEU 82 -9.124 -7.618 -0.745 483 HD23 LEU 82 HD23 LEU 82 -10.518 -7.501 0.329 484 H CYS 83 H CYS 83 -5.055 -6.566 -1.892 485 HA CYS 83 HA CYS 83 -3.088 -8.401 -1.356 486 HB2 CYS 83 HB2 CYS 83 -3.751 -7.659 -3.632 487 HB3 CYS 83 HB3 CYS 83 -2.904 -6.139 -3.366 488 H ASN 84 H ASN 84 -3.257 -5.243 -0.263 489 HA ASN 84 HA ASN 84 -0.379 -4.790 -0.026 490 HB2 ASN 84 HB2 ASN 84 -1.051 -2.621 0.962 491 HB3 ASN 84 HB3 ASN 84 -1.734 -2.856 -0.645 492 HD21 ASN 84 HD21 ASN 84 -3.961 -3.410 -0.824 493 HD22 ASN 84 HD22 ASN 84 -5.070 -3.015 0.440 494 H ARG 85 H ARG 85 -1.961 -6.946 1.298 495 HA ARG 85 HA ARG 85 -2.358 -6.454 4.050 496 HB2 ARG 85 HB2 ARG 85 -3.329 -8.399 3.108 497 HB3 ARG 85 HB3 ARG 85 -1.795 -8.946 2.451 498 HG2 ARG 85 HG2 ARG 85 -1.180 -8.913 5.062 499 HG3 ARG 85 HG3 ARG 85 -2.914 -9.228 5.165 500 HD2 ARG 85 HD2 ARG 85 -1.688 -11.319 5.087 501 HD3 ARG 85 HD3 ARG 85 -2.646 -11.120 3.620 502 HE ARG 85 HE ARG 85 0.046 -10.162 3.339 503 HH11 ARG 85 HH11 ARG 85 -1.975 -13.012 3.217 504 HH12 ARG 85 HH12 ARG 85 -0.909 -13.884 2.168 505 HH21 ARG 85 HH21 ARG 85 1.469 -11.287 1.956 506 HH22 ARG 85 HH22 ARG 85 1.057 -12.902 1.450 507 H SER 86 H SER 86 -0.964 -6.315 5.670 508 HA SER 86 HA SER 86 1.819 -6.485 5.282 509 HB2 SER 86 HB2 SER 86 0.427 -6.491 7.958 510 HB3 SER 86 HB3 SER 86 1.978 -5.765 7.532 511 HG SER 86 HG SER 86 0.980 -4.051 6.823 512 H GLU 87 H GLU 87 2.593 -8.520 4.777 513 HA GLU 87 HA GLU 87 1.826 -10.754 6.398 514 HB2 GLU 87 HB2 GLU 87 3.615 -11.954 5.009 515 HB3 GLU 87 HB3 GLU 87 2.199 -11.341 4.169 516 HG2 GLU 87 HG2 GLU 87 4.635 -9.637 4.319 517 HG3 GLU 87 HG3 GLU 87 4.604 -11.000 3.198 518 H GLN 88 H GLN 88 4.319 -8.426 6.548 519 HA GLN 88 HA GLN 88 5.603 -9.942 8.670 520 HB2 GLN 88 HB2 GLN 88 7.131 -8.600 6.431 521 HB3 GLN 88 HB3 GLN 88 7.861 -9.134 7.939 522 HG2 GLN 88 HG2 GLN 88 6.402 -10.975 6.066 523 HG3 GLN 88 HG3 GLN 88 8.137 -10.678 5.985 524 HE21 GLN 88 HE21 GLN 88 8.587 -12.841 6.412 525 HE22 GLN 88 HE22 GLN 88 8.398 -13.525 7.986 Start of MODEL 19 1 H MET 18 H MET 18 -12.139 -0.230 -9.880 2 HA MET 18 HA MET 18 -15.012 0.241 -10.386 3 HB2 MET 18 HB2 MET 18 -13.501 -2.334 -9.894 4 HB3 MET 18 HB3 MET 18 -15.251 -2.189 -9.830 5 HG2 MET 18 HG2 MET 18 -14.660 -3.101 -11.940 6 HG3 MET 18 HG3 MET 18 -15.216 -1.450 -12.200 7 HE1 MET 18 HE1 MET 18 -12.505 -1.874 -14.984 8 HE2 MET 18 HE2 MET 18 -14.186 -1.475 -14.627 9 HE3 MET 18 HE3 MET 18 -13.602 -3.124 -14.394 10 H ALA 19 H ALA 19 -13.359 1.593 -8.447 11 HA ALA 19 HA ALA 19 -12.916 1.911 -6.249 12 HB1 ALA 19 HB1 ALA 19 -14.786 1.473 -4.742 13 HB2 ALA 19 HB2 ALA 19 -15.533 0.441 -5.962 14 HB3 ALA 19 HB3 ALA 19 -15.336 2.167 -6.267 15 H LEU 20 H LEU 20 -11.148 0.839 -5.513 16 HA LEU 20 HA LEU 20 -11.295 -2.091 -5.282 17 HB2 LEU 20 HB2 LEU 20 -9.479 -1.103 -6.737 18 HB3 LEU 20 HB3 LEU 20 -8.823 -0.354 -5.294 19 HG LEU 20 HG LEU 20 -8.517 -2.634 -4.321 20 HD11 LEU 20 HD11 LEU 20 -8.597 -4.556 -5.827 21 HD12 LEU 20 HD12 LEU 20 -9.252 -3.530 -7.104 22 HD13 LEU 20 HD13 LEU 20 -10.188 -3.819 -5.637 23 HD21 LEU 20 HD21 LEU 20 -7.136 -2.063 -6.941 24 HD22 LEU 20 HD22 LEU 20 -6.566 -3.194 -5.714 25 HD23 LEU 20 HD23 LEU 20 -6.656 -1.470 -5.351 26 H LYS 21 H LYS 21 -10.767 -2.987 -3.202 27 HA LYS 21 HA LYS 21 -10.540 -0.974 -1.120 28 HB2 LYS 21 HB2 LYS 21 -11.291 -3.892 -0.988 29 HB3 LYS 21 HB3 LYS 21 -11.309 -2.777 0.372 30 HG2 LYS 21 HG2 LYS 21 -12.946 -1.383 -0.919 31 HG3 LYS 21 HG3 LYS 21 -13.039 -2.708 -2.081 32 HD2 LYS 21 HD2 LYS 21 -14.855 -2.900 -0.510 33 HD3 LYS 21 HD3 LYS 21 -13.709 -4.216 -0.244 34 HE2 LYS 21 HE2 LYS 21 -14.567 -3.111 1.840 35 HE3 LYS 21 HE3 LYS 21 -12.813 -3.167 1.683 36 HZ1 LYS 21 HZ1 LYS 21 -14.561 -0.825 1.156 37 HZ2 LYS 21 HZ2 LYS 21 -12.897 -0.861 0.856 38 HZ3 LYS 21 HZ3 LYS 21 -13.472 -1.005 2.443 39 H CYS 22 H CYS 22 -8.484 -0.485 -0.701 40 HA CYS 22 HA CYS 22 -6.614 -2.688 -0.148 41 HB2 CYS 22 HB2 CYS 22 -5.899 0.245 -0.247 42 HB3 CYS 22 HB3 CYS 22 -4.820 -1.139 -0.362 43 H PHE 23 H PHE 23 -5.286 -2.360 1.868 44 HA PHE 23 HA PHE 23 -7.044 -1.604 4.067 45 HB2 PHE 23 HB2 PHE 23 -4.221 -2.700 4.056 46 HB3 PHE 23 HB3 PHE 23 -5.149 -2.341 5.505 47 HD1 PHE 23 HD1 PHE 23 -7.423 -3.569 5.732 48 HD2 PHE 23 HD2 PHE 23 -4.269 -4.817 3.165 49 HE1 PHE 23 HE1 PHE 23 -8.339 -5.851 5.722 50 HE2 PHE 23 HE2 PHE 23 -5.182 -7.101 3.145 51 HZ PHE 23 HZ PHE 23 -7.220 -7.621 4.427 52 H THR 24 H THR 24 -6.801 0.247 5.240 53 HA THR 24 HA THR 24 -4.327 1.797 4.858 54 HB THR 24 HB THR 24 -7.125 2.936 5.118 55 HG1 THR 24 HG1 THR 24 -7.075 2.572 3.015 56 HG21 THR 24 HG21 THR 24 -4.478 4.333 4.701 57 HG22 THR 24 HG22 THR 24 -5.417 4.336 6.194 58 HG23 THR 24 HG23 THR 24 -6.063 5.106 4.745 59 H ARG 25 H ARG 25 -3.481 2.686 6.793 60 HA ARG 25 HA ARG 25 -4.649 1.342 9.119 61 HB2 ARG 25 HB2 ARG 25 -1.806 2.226 8.652 62 HB3 ARG 25 HB3 ARG 25 -2.415 1.685 10.211 63 HG2 ARG 25 HG2 ARG 25 -3.204 -0.371 8.674 64 HG3 ARG 25 HG3 ARG 25 -1.767 0.141 7.788 65 HD2 ARG 25 HD2 ARG 25 -1.821 -0.432 10.746 66 HD3 ARG 25 HD3 ARG 25 -1.358 -1.611 9.523 67 HE ARG 25 HE ARG 25 0.441 0.071 8.932 68 HH11 ARG 25 HH11 ARG 25 -0.868 -0.274 12.153 69 HH12 ARG 25 HH12 ARG 25 0.564 0.301 12.958 70 HH21 ARG 25 HH21 ARG 25 2.346 0.787 9.966 71 HH22 ARG 25 HH22 ARG 25 2.396 0.899 11.696 72 H ASN 26 H ASN 26 -5.729 2.518 10.421 73 HA ASN 26 HA ASN 26 -5.461 5.425 10.526 74 HB2 ASN 26 HB2 ASN 26 -7.732 4.548 10.582 75 HB3 ASN 26 HB3 ASN 26 -7.323 3.471 11.911 76 HD21 ASN 26 HD21 ASN 26 -8.869 4.252 13.253 77 HD22 ASN 26 HD22 ASN 26 -8.796 5.827 13.968 78 H GLY 27 H GLY 27 -3.283 5.332 11.289 79 HA2 GLY 27 HA2 GLY 27 -1.768 5.563 13.067 80 HA3 GLY 27 HA3 GLY 27 -3.024 5.022 14.182 81 H ASP 28 H ASP 28 -2.636 3.008 14.985 82 HA ASP 28 HA ASP 28 -1.404 1.085 13.194 83 HB2 ASP 28 HB2 ASP 28 -1.810 1.166 16.170 84 HB3 ASP 28 HB3 ASP 28 -1.381 -0.337 15.355 85 H ASP 29 H ASP 29 -4.432 2.033 13.864 86 HA ASP 29 HA ASP 29 -5.790 -0.529 14.011 87 HB2 ASP 29 HB2 ASP 29 -7.001 1.295 14.974 88 HB3 ASP 29 HB3 ASP 29 -6.729 2.310 13.562 89 H ARG 30 H ARG 30 -7.311 -1.081 12.087 90 HA ARG 30 HA ARG 30 -5.917 -0.450 9.634 91 HB2 ARG 30 HB2 ARG 30 -6.382 -3.325 10.445 92 HB3 ARG 30 HB3 ARG 30 -5.699 -2.769 8.919 93 HG2 ARG 30 HG2 ARG 30 -3.764 -1.909 10.009 94 HG3 ARG 30 HG3 ARG 30 -4.470 -2.195 11.597 95 HD2 ARG 30 HD2 ARG 30 -4.449 -4.622 11.120 96 HD3 ARG 30 HD3 ARG 30 -3.645 -4.283 9.587 97 HE ARG 30 HE ARG 30 -2.496 -3.912 12.265 98 HH11 ARG 30 HH11 ARG 30 -2.132 -3.994 8.794 99 HH12 ARG 30 HH12 ARG 30 -0.390 -4.001 8.835 100 HH21 ARG 30 HH21 ARG 30 -0.184 -3.899 12.326 101 HH22 ARG 30 HH22 ARG 30 0.708 -3.920 10.827 102 H THR 31 H THR 31 -7.518 0.423 8.549 103 HA THR 31 HA THR 31 -10.133 -0.914 8.549 104 HB THR 31 HB THR 31 -9.692 1.853 7.482 105 HG1 THR 31 HG1 THR 31 -9.712 1.084 10.230 106 HG21 THR 31 HG21 THR 31 -11.902 0.766 7.302 107 HG22 THR 31 HG22 THR 31 -11.947 2.208 8.316 108 HG23 THR 31 HG23 THR 31 -11.949 0.608 9.058 109 H VAL 32 H VAL 32 -10.939 -1.751 6.634 110 HA VAL 32 HA VAL 32 -9.334 -1.510 4.278 111 HB VAL 32 HB VAL 32 -12.089 -2.728 4.351 112 HG11 VAL 32 HG11 VAL 32 -11.063 -2.463 2.169 113 HG12 VAL 32 HG12 VAL 32 -11.167 -4.170 2.600 114 HG13 VAL 32 HG13 VAL 32 -9.626 -3.321 2.720 115 HG21 VAL 32 HG21 VAL 32 -10.928 -3.704 6.219 116 HG22 VAL 32 HG22 VAL 32 -9.501 -3.999 5.226 117 HG23 VAL 32 HG23 VAL 32 -10.996 -4.879 4.904 118 H THR 33 H THR 33 -9.393 0.281 3.093 119 HA THR 33 HA THR 33 -11.750 1.992 3.190 120 HB THR 33 HB THR 33 -10.200 3.572 1.898 121 HG1 THR 33 HG1 THR 33 -8.580 2.203 1.225 122 HG21 THR 33 HG21 THR 33 -9.006 4.223 3.953 123 HG22 THR 33 HG22 THR 33 -9.460 2.688 4.690 124 HG23 THR 33 HG23 THR 33 -10.703 3.863 4.264 125 H THR 34 H THR 34 -12.629 2.922 1.265 126 HA THR 34 HA THR 34 -12.520 1.092 -1.026 127 HB THR 34 HB THR 34 -14.804 1.427 -0.342 128 HG1 THR 34 HG1 THR 34 -14.530 3.212 -2.517 129 HG21 THR 34 HG21 THR 34 -15.850 3.633 -0.197 130 HG22 THR 34 HG22 THR 34 -14.294 4.397 -0.525 131 HG23 THR 34 HG23 THR 34 -14.528 3.477 0.961 132 H CYS 35 H CYS 35 -11.112 1.719 -2.536 133 HA CYS 35 HA CYS 35 -10.258 4.531 -2.497 134 HB2 CYS 35 HB2 CYS 35 -8.562 2.629 -3.960 135 HB3 CYS 35 HB3 CYS 35 -8.138 3.832 -2.766 136 H ALA 36 H ALA 36 -10.005 5.662 -4.455 137 HA ALA 36 HA ALA 36 -12.238 5.130 -6.198 138 HB1 ALA 36 HB1 ALA 36 -11.707 7.309 -7.158 139 HB2 ALA 36 HB2 ALA 36 -10.220 7.368 -6.206 140 HB3 ALA 36 HB3 ALA 36 -11.790 7.386 -5.398 141 H GLU 37 H GLU 37 -11.973 5.394 -8.585 142 HA GLU 37 HA GLU 37 -10.434 3.550 -9.773 143 HB2 GLU 37 HB2 GLU 37 -11.221 6.157 -11.086 144 HB3 GLU 37 HB3 GLU 37 -10.903 4.630 -11.891 145 HG2 GLU 37 HG2 GLU 37 -13.182 5.225 -10.024 146 HG3 GLU 37 HG3 GLU 37 -13.274 5.027 -11.774 147 H GLU 38 H GLU 38 -9.579 6.909 -9.238 148 HA GLU 38 HA GLU 38 -7.198 7.138 -10.606 149 HB2 GLU 38 HB2 GLU 38 -6.587 8.687 -8.618 150 HB3 GLU 38 HB3 GLU 38 -7.963 9.103 -9.640 151 HG2 GLU 38 HG2 GLU 38 -9.500 8.332 -8.071 152 HG3 GLU 38 HG3 GLU 38 -8.265 7.481 -7.155 153 H GLN 39 H GLN 39 -7.858 5.602 -7.523 154 HA GLN 39 HA GLN 39 -5.001 5.035 -7.243 155 HB2 GLN 39 HB2 GLN 39 -7.049 5.168 -5.023 156 HB3 GLN 39 HB3 GLN 39 -5.336 4.812 -4.836 157 HG2 GLN 39 HG2 GLN 39 -4.873 7.080 -5.813 158 HG3 GLN 39 HG3 GLN 39 -6.596 7.404 -5.678 159 HE21 GLN 39 HE21 GLN 39 -7.512 7.678 -3.680 160 HE22 GLN 39 HE22 GLN 39 -6.565 7.954 -2.251 161 H THR 40 H THR 40 -5.805 3.401 -8.882 162 HA THR 40 HA THR 40 -7.195 1.163 -7.785 163 HB THR 40 HB THR 40 -6.222 0.279 -10.169 164 HG1 THR 40 HG1 THR 40 -6.792 2.928 -10.832 165 HG21 THR 40 HG21 THR 40 -8.614 2.083 -9.768 166 HG22 THR 40 HG22 THR 40 -8.579 0.344 -9.479 167 HG23 THR 40 HG23 THR 40 -8.372 0.970 -11.115 168 H ARG 41 H ARG 41 -4.470 1.946 -6.730 169 HA ARG 41 HA ARG 41 -3.301 -0.715 -6.955 170 HB2 ARG 41 HB2 ARG 41 -1.919 1.482 -7.901 171 HB3 ARG 41 HB3 ARG 41 -1.353 1.358 -6.253 172 HG2 ARG 41 HG2 ARG 41 0.112 0.157 -7.714 173 HG3 ARG 41 HG3 ARG 41 -0.728 -0.970 -6.651 174 HD2 ARG 41 HD2 ARG 41 -2.210 -1.623 -8.414 175 HD3 ARG 41 HD3 ARG 41 -1.586 -0.355 -9.472 176 HE ARG 41 HE ARG 41 0.477 -2.126 -8.609 177 HH11 ARG 41 HH11 ARG 41 -2.159 -1.800 -10.890 178 HH12 ARG 41 HH12 ARG 41 -1.469 -2.890 -12.045 179 HH21 ARG 41 HH21 ARG 41 1.405 -3.545 -10.134 180 HH22 ARG 41 HH22 ARG 41 0.575 -3.876 -11.619 181 H CYS 42 H CYS 42 -1.635 -0.790 -4.969 182 HA CYS 42 HA CYS 42 -2.972 0.299 -2.643 183 HB2 CYS 42 HB2 CYS 42 -2.412 -2.674 -2.796 184 HB3 CYS 42 HB3 CYS 42 -3.090 -1.804 -1.428 185 H LEU 43 H LEU 43 -1.485 0.782 -1.046 186 HA LEU 43 HA LEU 43 1.314 0.359 -1.857 187 HB2 LEU 43 HB2 LEU 43 0.082 2.684 -1.284 188 HB3 LEU 43 HB3 LEU 43 0.637 2.247 0.319 189 HG LEU 43 HG LEU 43 2.346 2.677 -2.118 190 HD11 LEU 43 HD11 LEU 43 1.535 4.734 -1.148 191 HD12 LEU 43 HD12 LEU 43 3.266 4.548 -0.868 192 HD13 LEU 43 HD13 LEU 43 2.122 4.231 0.437 193 HD21 LEU 43 HD21 LEU 43 4.256 2.379 -0.597 194 HD22 LEU 43 HD22 LEU 43 3.319 0.905 -0.843 195 HD23 LEU 43 HD23 LEU 43 3.133 1.829 0.648 196 H PHE 44 H PHE 44 2.470 -1.037 -0.727 197 HA PHE 44 HA PHE 44 2.053 -1.249 2.169 198 HB2 PHE 44 HB2 PHE 44 0.935 -3.176 1.271 199 HB3 PHE 44 HB3 PHE 44 2.266 -3.510 0.171 200 HD1 PHE 44 HD1 PHE 44 1.106 -3.724 3.647 201 HD2 PHE 44 HD2 PHE 44 4.241 -4.613 0.918 202 HE1 PHE 44 HE1 PHE 44 2.108 -5.259 5.293 203 HE2 PHE 44 HE2 PHE 44 5.246 -6.132 2.553 204 HZ PHE 44 HZ PHE 44 4.187 -6.478 4.731 205 H VAL 45 H VAL 45 3.920 -0.885 3.208 206 HA VAL 45 HA VAL 45 6.451 -1.404 1.786 207 HB VAL 45 HB VAL 45 5.897 0.978 3.577 208 HG11 VAL 45 HG11 VAL 45 8.138 1.719 3.026 209 HG12 VAL 45 HG12 VAL 45 8.392 0.289 2.026 210 HG13 VAL 45 HG13 VAL 45 8.198 0.121 3.771 211 HG21 VAL 45 HG21 VAL 45 6.309 2.306 1.512 212 HG22 VAL 45 HG22 VAL 45 4.844 1.326 1.446 213 HG23 VAL 45 HG23 VAL 45 6.296 0.800 0.593 214 H GLN 46 H GLN 46 8.125 -2.254 3.093 215 HA GLN 46 HA GLN 46 7.189 -3.568 5.525 216 HB2 GLN 46 HB2 GLN 46 9.992 -3.579 4.431 217 HB3 GLN 46 HB3 GLN 46 9.322 -4.666 5.620 218 HG2 GLN 46 HG2 GLN 46 8.856 -4.610 2.658 219 HG3 GLN 46 HG3 GLN 46 9.609 -5.852 3.637 220 HE21 GLN 46 HE21 GLN 46 7.449 -5.606 5.692 221 HE22 GLN 46 HE22 GLN 46 6.113 -6.452 4.999 222 H LEU 47 H LEU 47 7.926 -3.119 7.559 223 HA LEU 47 HA LEU 47 9.968 -1.056 7.900 224 HB2 LEU 47 HB2 LEU 47 7.328 -1.117 9.363 225 HB3 LEU 47 HB3 LEU 47 8.739 -0.326 10.028 226 HG LEU 47 HG LEU 47 7.417 1.366 9.072 227 HD11 LEU 47 HD11 LEU 47 9.803 1.576 8.594 228 HD12 LEU 47 HD12 LEU 47 8.817 2.295 7.322 229 HD13 LEU 47 HD13 LEU 47 9.572 0.722 7.067 230 HD21 LEU 47 HD21 LEU 47 6.698 1.307 6.703 231 HD22 LEU 47 HD22 LEU 47 5.914 0.111 7.736 232 HD23 LEU 47 HD23 LEU 47 7.208 -0.379 6.639 233 HA PRO 48 HA PRO 48 11.504 -4.071 10.793 234 HB2 PRO 48 HB2 PRO 48 12.641 -2.015 12.499 235 HB3 PRO 48 HB3 PRO 48 13.465 -3.131 11.410 236 HG2 PRO 48 HG2 PRO 48 13.317 -0.461 10.959 237 HG3 PRO 48 HG3 PRO 48 13.423 -1.655 9.655 238 HD2 PRO 48 HD2 PRO 48 11.022 -0.204 10.710 239 HD3 PRO 48 HD3 PRO 48 11.471 -0.565 9.029 240 H TYR 49 H TYR 49 8.829 -2.657 11.395 241 HA TYR 49 HA TYR 49 8.639 -3.403 14.151 242 HB2 TYR 49 HB2 TYR 49 7.862 -0.579 13.360 243 HB3 TYR 49 HB3 TYR 49 7.564 -1.327 14.923 244 HD1 TYR 49 HD1 TYR 49 9.530 -1.895 16.393 245 HD2 TYR 49 HD2 TYR 49 9.922 0.456 12.870 246 HE1 TYR 49 HE1 TYR 49 11.701 -1.063 17.197 247 HE2 TYR 49 HE2 TYR 49 12.093 1.294 13.663 248 HH TYR 49 HH TYR 49 13.754 -0.098 16.279 249 H SER 50 H SER 50 6.917 -1.543 11.676 250 HA SER 50 HA SER 50 4.802 -3.574 11.652 251 HB2 SER 50 HB2 SER 50 3.222 -1.556 11.351 252 HB3 SER 50 HB3 SER 50 3.859 -1.849 12.967 253 HG SER 50 HG SER 50 4.617 0.095 12.876 254 H GLU 51 H GLU 51 3.225 -2.265 9.650 255 HA GLU 51 HA GLU 51 5.125 -1.575 7.524 256 HB2 GLU 51 HB2 GLU 51 3.058 -2.944 6.264 257 HB3 GLU 51 HB3 GLU 51 4.681 -3.541 6.563 258 HG2 GLU 51 HG2 GLU 51 3.071 -5.166 7.290 259 HG3 GLU 51 HG3 GLU 51 3.913 -4.507 8.690 260 H ILE 52 H ILE 52 4.032 -0.668 5.578 261 HA ILE 52 HA ILE 52 2.139 1.398 6.473 262 HB ILE 52 HB ILE 52 3.821 1.264 3.960 263 HG12 ILE 52 HG12 ILE 52 4.058 3.003 6.417 264 HG13 ILE 52 HG13 ILE 52 5.119 1.672 5.995 265 HG21 ILE 52 HG21 ILE 52 3.088 3.588 3.592 266 HG22 ILE 52 HG22 ILE 52 1.984 3.438 4.959 267 HG23 ILE 52 HG23 ILE 52 1.752 2.439 3.525 268 HD11 ILE 52 HD11 ILE 52 4.789 4.234 4.459 269 HD12 ILE 52 HD12 ILE 52 5.825 2.887 3.988 270 HD13 ILE 52 HD13 ILE 52 6.162 3.783 5.470 271 H GLN 53 H GLN 53 0.153 1.651 5.454 272 HA GLN 53 HA GLN 53 -0.518 -0.137 3.319 273 HB2 GLN 53 HB2 GLN 53 -2.336 -0.082 5.734 274 HB3 GLN 53 HB3 GLN 53 -2.525 -1.046 4.279 275 HG2 GLN 53 HG2 GLN 53 -0.387 -2.215 4.921 276 HG3 GLN 53 HG3 GLN 53 -0.509 -1.391 6.475 277 HE21 GLN 53 HE21 GLN 53 -1.735 -3.885 4.452 278 HE22 GLN 53 HE22 GLN 53 -2.813 -4.589 5.607 279 H GLU 54 H GLU 54 -1.505 1.110 1.860 280 HA GLU 54 HA GLU 54 -3.744 2.793 2.541 281 HB2 GLU 54 HB2 GLU 54 -2.613 4.795 1.407 282 HB3 GLU 54 HB3 GLU 54 -2.134 4.439 3.053 283 HG2 GLU 54 HG2 GLU 54 -0.140 3.262 2.159 284 HG3 GLU 54 HG3 GLU 54 -0.586 3.817 0.540 285 H CYS 55 H CYS 55 -4.903 3.486 0.601 286 HA CYS 55 HA CYS 55 -4.225 2.063 -1.778 287 HB2 CYS 55 HB2 CYS 55 -6.219 4.328 -1.711 288 HB3 CYS 55 HB3 CYS 55 -6.226 2.889 -2.704 289 H LYS 56 H LYS 56 -3.536 2.977 -3.796 290 HA LYS 56 HA LYS 56 -2.573 5.682 -3.721 291 HB2 LYS 56 HB2 LYS 56 -0.771 4.020 -2.706 292 HB3 LYS 56 HB3 LYS 56 -0.464 3.672 -4.401 293 HG2 LYS 56 HG2 LYS 56 1.054 5.374 -3.511 294 HG3 LYS 56 HG3 LYS 56 0.050 6.002 -4.821 295 HD2 LYS 56 HD2 LYS 56 0.252 7.576 -2.917 296 HD3 LYS 56 HD3 LYS 56 -1.414 7.090 -3.234 297 HE2 LYS 56 HE2 LYS 56 -1.091 5.326 -1.443 298 HE3 LYS 56 HE3 LYS 56 0.402 6.153 -1.018 299 HZ1 LYS 56 HZ1 LYS 56 -2.349 7.239 -0.890 300 HZ2 LYS 56 HZ2 LYS 56 -0.963 8.191 -0.710 301 HZ3 LYS 56 HZ3 LYS 56 -1.282 6.953 0.403 302 H THR 57 H THR 57 -2.270 6.489 -5.848 303 HA THR 57 HA THR 57 -3.427 5.064 -7.926 304 HB THR 57 HB THR 57 -2.754 6.810 -9.404 305 HG1 THR 57 HG1 THR 57 -1.198 8.442 -8.374 306 HG21 THR 57 HG21 THR 57 -3.162 7.967 -6.647 307 HG22 THR 57 HG22 THR 57 -4.429 7.478 -7.773 308 HG23 THR 57 HG23 THR 57 -3.378 8.838 -8.165 309 H VAL 58 H VAL 58 -2.644 3.793 -9.549 310 HA VAL 58 HA VAL 58 -0.505 2.184 -9.112 311 HB VAL 58 HB VAL 58 -1.488 2.937 -11.886 312 HG11 VAL 58 HG11 VAL 58 -0.818 0.673 -12.502 313 HG12 VAL 58 HG12 VAL 58 -0.218 0.400 -10.866 314 HG13 VAL 58 HG13 VAL 58 0.555 1.603 -11.898 315 HG21 VAL 58 HG21 VAL 58 -2.575 0.898 -9.949 316 HG22 VAL 58 HG22 VAL 58 -3.078 1.078 -11.629 317 HG23 VAL 58 HG23 VAL 58 -3.376 2.379 -10.476 318 H GLN 59 H GLN 59 -0.507 5.241 -10.934 319 HA GLN 59 HA GLN 59 2.144 5.065 -11.881 320 HB2 GLN 59 HB2 GLN 59 0.884 6.646 -13.015 321 HB3 GLN 59 HB3 GLN 59 0.184 7.299 -11.539 322 HG2 GLN 59 HG2 GLN 59 2.320 8.335 -10.967 323 HG3 GLN 59 HG3 GLN 59 3.038 7.668 -12.434 324 HE21 GLN 59 HE21 GLN 59 2.547 8.571 -14.411 325 HE22 GLN 59 HE22 GLN 59 1.743 10.091 -14.567 326 H GLN 60 H GLN 60 0.813 6.742 -9.010 327 HA GLN 60 HA GLN 60 3.404 7.872 -8.364 328 HB2 GLN 60 HB2 GLN 60 0.790 7.782 -6.840 329 HB3 GLN 60 HB3 GLN 60 2.255 8.530 -6.222 330 HG2 GLN 60 HG2 GLN 60 1.010 9.346 -8.825 331 HG3 GLN 60 HG3 GLN 60 0.527 10.047 -7.284 332 HE21 GLN 60 HE21 GLN 60 3.835 9.118 -8.043 333 HE22 GLN 60 HE22 GLN 60 4.462 10.724 -8.094 334 H CYS 61 H CYS 61 1.612 4.969 -7.656 335 HA CYS 61 HA CYS 61 3.079 4.319 -5.261 336 HB2 CYS 61 HB2 CYS 61 1.956 2.269 -5.289 337 HB3 CYS 61 HB3 CYS 61 0.807 3.322 -6.106 338 H ALA 62 H ALA 62 3.432 3.518 -8.750 339 HA ALA 62 HA ALA 62 5.763 2.062 -8.471 340 HB1 ALA 62 HB1 ALA 62 5.007 3.909 -10.739 341 HB2 ALA 62 HB2 ALA 62 4.542 2.216 -10.579 342 HB3 ALA 62 HB3 ALA 62 6.237 2.647 -10.810 343 H GLU 63 H GLU 63 5.394 5.536 -9.026 344 HA GLU 63 HA GLU 63 7.932 6.440 -8.937 345 HB2 GLU 63 HB2 GLU 63 5.498 7.645 -7.638 346 HB3 GLU 63 HB3 GLU 63 6.971 8.520 -7.977 347 HG2 GLU 63 HG2 GLU 63 5.083 7.305 -9.959 348 HG3 GLU 63 HG3 GLU 63 5.401 9.005 -9.668 349 H VAL 64 H VAL 64 5.836 6.218 -6.091 350 HA VAL 64 HA VAL 64 7.767 6.670 -4.220 351 HB VAL 64 HB VAL 64 6.045 6.108 -2.681 352 HG11 VAL 64 HG11 VAL 64 4.899 7.442 -5.084 353 HG12 VAL 64 HG12 VAL 64 5.782 8.225 -3.767 354 HG13 VAL 64 HG13 VAL 64 4.202 7.502 -3.461 355 HG21 VAL 64 HG21 VAL 64 5.278 4.062 -3.400 356 HG22 VAL 64 HG22 VAL 64 4.771 4.746 -4.939 357 HG23 VAL 64 HG23 VAL 64 3.896 5.163 -3.460 358 H LEU 65 H LEU 65 6.942 3.765 -5.871 359 HA LEU 65 HA LEU 65 7.680 1.885 -3.838 360 HB2 LEU 65 HB2 LEU 65 6.467 1.697 -6.293 361 HB3 LEU 65 HB3 LEU 65 8.079 1.101 -6.640 362 HG LEU 65 HG LEU 65 7.823 -0.559 -4.817 363 HD11 LEU 65 HD11 LEU 65 6.222 0.642 -3.455 364 HD12 LEU 65 HD12 LEU 65 5.578 -0.939 -3.901 365 HD13 LEU 65 HD13 LEU 65 5.008 0.511 -4.727 366 HD21 LEU 65 HD21 LEU 65 5.679 -0.619 -6.940 367 HD22 LEU 65 HD22 LEU 65 6.247 -2.006 -6.012 368 HD23 LEU 65 HD23 LEU 65 7.340 -1.182 -7.123 369 H GLU 66 H GLU 66 9.243 3.178 -6.757 370 HA GLU 66 HA GLU 66 11.673 1.922 -6.104 371 HB2 GLU 66 HB2 GLU 66 11.005 3.986 -8.187 372 HB3 GLU 66 HB3 GLU 66 12.601 3.259 -8.032 373 HG2 GLU 66 HG2 GLU 66 11.574 1.034 -8.359 374 HG3 GLU 66 HG3 GLU 66 10.021 1.823 -8.624 375 H GLU 67 H GLU 67 10.416 5.009 -5.233 376 HA GLU 67 HA GLU 67 12.906 6.312 -4.854 377 HB2 GLU 67 HB2 GLU 67 11.641 7.941 -3.589 378 HB3 GLU 67 HB3 GLU 67 10.752 7.504 -5.048 379 HG2 GLU 67 HG2 GLU 67 9.386 6.037 -3.863 380 HG3 GLU 67 HG3 GLU 67 10.304 6.287 -2.391 381 H VAL 68 H VAL 68 10.670 4.624 -2.645 382 HA VAL 68 HA VAL 68 12.500 4.710 -0.511 383 HB VAL 68 HB VAL 68 10.964 3.225 0.687 384 HG11 VAL 68 HG11 VAL 68 8.961 4.666 0.569 385 HG12 VAL 68 HG12 VAL 68 9.616 5.415 -0.888 386 HG13 VAL 68 HG13 VAL 68 10.466 5.584 0.648 387 HG21 VAL 68 HG21 VAL 68 8.884 2.464 -0.403 388 HG22 VAL 68 HG22 VAL 68 10.325 1.709 -1.083 389 HG23 VAL 68 HG23 VAL 68 9.520 3.014 -1.954 390 H THR 69 H THR 69 11.843 2.162 -2.900 391 HA THR 69 HA THR 69 13.345 0.215 -1.617 392 HB THR 69 HB THR 69 13.550 -0.818 -3.933 393 HG1 THR 69 HG1 THR 69 11.583 0.990 -4.755 394 HG21 THR 69 HG21 THR 69 11.813 -1.474 -2.366 395 HG22 THR 69 HG22 THR 69 11.170 -1.418 -4.008 396 HG23 THR 69 HG23 THR 69 10.819 -0.110 -2.878 397 H ALA 70 H ALA 70 14.347 2.713 -3.902 398 HA ALA 70 HA ALA 70 16.995 1.953 -4.114 399 HB1 ALA 70 HB1 ALA 70 15.885 4.760 -4.130 400 HB2 ALA 70 HB2 ALA 70 15.970 3.671 -5.515 401 HB3 ALA 70 HB3 ALA 70 17.453 4.266 -4.768 402 H ILE 71 H ILE 71 15.335 3.369 -1.461 403 HA ILE 71 HA ILE 71 17.731 4.190 -0.048 404 HB ILE 71 HB ILE 71 14.946 3.886 1.090 405 HG12 ILE 71 HG12 ILE 71 16.174 6.335 -0.196 406 HG13 ILE 71 HG13 ILE 71 14.906 5.346 -0.908 407 HG21 ILE 71 HG21 ILE 71 17.289 5.589 1.939 408 HG22 ILE 71 HG22 ILE 71 16.737 4.115 2.734 409 HG23 ILE 71 HG23 ILE 71 15.707 5.546 2.717 410 HD11 ILE 71 HD11 ILE 71 13.407 5.951 0.915 411 HD12 ILE 71 HD12 ILE 71 14.007 7.377 0.071 412 HD13 ILE 71 HD13 ILE 71 14.680 6.932 1.640 413 H GLY 72 H GLY 72 15.902 1.342 -0.505 414 HA2 GLY 72 HA2 GLY 72 16.805 -0.704 0.304 415 HA3 GLY 72 HA3 GLY 72 17.200 0.102 1.815 416 H TYR 73 H TYR 73 14.167 1.103 0.930 417 HA TYR 73 HA TYR 73 12.984 -0.643 2.951 418 HB2 TYR 73 HB2 TYR 73 12.090 1.939 1.679 419 HB3 TYR 73 HB3 TYR 73 11.033 0.964 2.682 420 HD1 TYR 73 HD1 TYR 73 11.505 0.690 5.087 421 HD2 TYR 73 HD2 TYR 73 13.832 3.275 2.638 422 HE1 TYR 73 HE1 TYR 73 12.384 1.792 7.100 423 HE2 TYR 73 HE2 TYR 73 14.721 4.385 4.645 424 HH TYR 73 HH TYR 73 14.088 4.725 6.993 425 HA PRO 74 HA PRO 74 11.318 -3.067 -0.494 426 HB2 PRO 74 HB2 PRO 74 10.063 -4.443 1.816 427 HB3 PRO 74 HB3 PRO 74 11.005 -5.116 0.493 428 HG2 PRO 74 HG2 PRO 74 12.076 -4.938 2.898 429 HG3 PRO 74 HG3 PRO 74 13.037 -4.531 1.461 430 HD2 PRO 74 HD2 PRO 74 11.652 -2.689 3.386 431 HD3 PRO 74 HD3 PRO 74 13.291 -2.586 2.707 432 H ALA 75 H ALA 75 9.500 -2.617 -1.571 433 HA ALA 75 HA ALA 75 7.036 -2.079 -0.098 434 HB1 ALA 75 HB1 ALA 75 8.173 -0.166 -2.133 435 HB2 ALA 75 HB2 ALA 75 8.090 0.104 -0.392 436 HB3 ALA 75 HB3 ALA 75 6.605 -0.024 -1.335 437 H LYS 76 H LYS 76 5.133 -2.372 -1.313 438 HA LYS 76 HA LYS 76 5.386 -3.122 -4.135 439 HB2 LYS 76 HB2 LYS 76 3.591 -4.969 -3.393 440 HB3 LYS 76 HB3 LYS 76 5.307 -5.294 -3.481 441 HG2 LYS 76 HG2 LYS 76 5.480 -4.859 -1.062 442 HG3 LYS 76 HG3 LYS 76 3.744 -4.596 -1.000 443 HD2 LYS 76 HD2 LYS 76 4.961 -7.132 -2.040 444 HD3 LYS 76 HD3 LYS 76 4.629 -6.886 -0.325 445 HE2 LYS 76 HE2 LYS 76 2.488 -6.409 -2.350 446 HE3 LYS 76 HE3 LYS 76 2.884 -8.041 -1.840 447 HZ1 LYS 76 HZ1 LYS 76 2.401 -7.473 0.432 448 HZ2 LYS 76 HZ2 LYS 76 1.071 -7.059 -0.536 449 HZ3 LYS 76 HZ3 LYS 76 2.123 -5.855 0.010 450 H CYS 77 H CYS 77 3.877 -1.981 -5.282 451 HA CYS 77 HA CYS 77 1.219 -1.892 -4.060 452 HB2 CYS 77 HB2 CYS 77 0.664 -0.168 -5.742 453 HB3 CYS 77 HB3 CYS 77 1.945 0.328 -4.665 454 H CYS 78 H CYS 78 0.501 -3.936 -4.609 455 HA CYS 78 HA CYS 78 0.253 -4.511 -7.421 456 HB2 CYS 78 HB2 CYS 78 -0.766 -6.670 -6.444 457 HB3 CYS 78 HB3 CYS 78 0.943 -6.358 -6.150 458 H CYS 79 H CYS 79 -1.971 -5.619 -8.055 459 HA CYS 79 HA CYS 79 -3.994 -3.625 -7.323 460 HB2 CYS 79 HB2 CYS 79 -4.913 -3.965 -9.664 461 HB3 CYS 79 HB3 CYS 79 -3.402 -3.068 -9.557 462 HG CYS 79 HG CYS 79 -3.668 -6.369 -10.423 463 H GLU 80 H GLU 80 -5.088 -4.781 -5.913 464 HA GLU 80 HA GLU 80 -6.978 -6.714 -6.677 465 HB2 GLU 80 HB2 GLU 80 -5.049 -8.224 -6.830 466 HB3 GLU 80 HB3 GLU 80 -4.518 -7.749 -5.228 467 HG2 GLU 80 HG2 GLU 80 -6.731 -8.673 -4.390 468 HG3 GLU 80 HG3 GLU 80 -6.899 -9.403 -5.986 469 H ASP 81 H ASP 81 -8.346 -7.215 -4.803 470 HA ASP 81 HA ASP 81 -8.359 -5.084 -2.881 471 HB2 ASP 81 HB2 ASP 81 -9.917 -7.674 -2.963 472 HB3 ASP 81 HB3 ASP 81 -10.106 -6.453 -1.707 473 H LEU 82 H LEU 82 -7.697 -5.111 -0.846 474 HA LEU 82 HA LEU 82 -6.500 -5.673 0.999 475 HB2 LEU 82 HB2 LEU 82 -7.160 -8.539 0.324 476 HB3 LEU 82 HB3 LEU 82 -6.862 -7.857 1.905 477 HG LEU 82 HG LEU 82 -9.100 -8.015 2.060 478 HD11 LEU 82 HD11 LEU 82 -10.322 -6.004 1.478 479 HD12 LEU 82 HD12 LEU 82 -8.971 -5.495 0.465 480 HD13 LEU 82 HD13 LEU 82 -8.756 -5.651 2.209 481 HD21 LEU 82 HD21 LEU 82 -10.674 -7.941 0.146 482 HD22 LEU 82 HD22 LEU 82 -9.504 -9.259 0.123 483 HD23 LEU 82 HD23 LEU 82 -9.262 -7.852 -0.909 484 H CYS 83 H CYS 83 -5.274 -6.072 -1.877 485 HA CYS 83 HA CYS 83 -3.327 -8.016 -1.584 486 HB2 CYS 83 HB2 CYS 83 -4.114 -6.903 -3.725 487 HB3 CYS 83 HB3 CYS 83 -3.013 -5.585 -3.347 488 H ASN 84 H ASN 84 -3.383 -4.902 -0.205 489 HA ASN 84 HA ASN 84 -0.464 -4.775 0.008 490 HB2 ASN 84 HB2 ASN 84 -0.717 -2.565 0.944 491 HB3 ASN 84 HB3 ASN 84 -1.619 -2.656 -0.560 492 HD21 ASN 84 HD21 ASN 84 -1.843 -0.871 1.715 493 HD22 ASN 84 HD22 ASN 84 -3.486 -0.979 2.261 494 H ARG 85 H ARG 85 -1.911 -6.861 1.129 495 HA ARG 85 HA ARG 85 -2.238 -6.524 3.982 496 HB2 ARG 85 HB2 ARG 85 -2.421 -9.009 3.944 497 HB3 ARG 85 HB3 ARG 85 -3.557 -8.223 2.853 498 HG2 ARG 85 HG2 ARG 85 -1.749 -8.624 1.050 499 HG3 ARG 85 HG3 ARG 85 -1.089 -9.786 2.200 500 HD2 ARG 85 HD2 ARG 85 -3.063 -11.088 2.157 501 HD3 ARG 85 HD3 ARG 85 -3.964 -9.825 1.316 502 HE ARG 85 HE ARG 85 -1.792 -11.411 0.098 503 HH11 ARG 85 HH11 ARG 85 -4.794 -9.619 -0.154 504 HH12 ARG 85 HH12 ARG 85 -5.002 -9.962 -1.852 505 HH21 ARG 85 HH21 ARG 85 -2.093 -11.844 -2.161 506 HH22 ARG 85 HH22 ARG 85 -3.496 -11.200 -2.968 507 H SER 86 H SER 86 -0.802 -7.639 5.502 508 HA SER 86 HA SER 86 1.945 -7.438 4.684 509 HB2 SER 86 HB2 SER 86 1.182 -6.530 6.858 510 HB3 SER 86 HB3 SER 86 0.788 -8.166 7.388 511 HG SER 86 HG SER 86 2.912 -7.293 8.019 512 H GLU 87 H GLU 87 2.755 -9.115 3.573 513 HA GLU 87 HA GLU 87 2.198 -11.813 4.477 514 HB2 GLU 87 HB2 GLU 87 3.602 -12.435 2.464 515 HB3 GLU 87 HB3 GLU 87 2.128 -11.543 2.121 516 HG2 GLU 87 HG2 GLU 87 4.615 -9.975 2.477 517 HG3 GLU 87 HG3 GLU 87 4.455 -10.937 1.002 518 H GLN 88 H GLN 88 4.025 -9.814 5.936 519 HA GLN 88 HA GLN 88 6.289 -11.590 6.220 520 HB2 GLN 88 HB2 GLN 88 7.086 -9.967 4.560 521 HB3 GLN 88 HB3 GLN 88 6.667 -8.646 5.640 522 HG2 GLN 88 HG2 GLN 88 8.327 -9.399 7.241 523 HG3 GLN 88 HG3 GLN 88 8.722 -10.772 6.208 524 HE21 GLN 88 HE21 GLN 88 8.452 -9.182 3.764 525 HE22 GLN 88 HE22 GLN 88 9.870 -8.199 3.684 Start of MODEL 20 1 H MET 18 H MET 18 -14.064 2.987 -11.737 2 HA MET 18 HA MET 18 -15.230 0.711 -10.257 3 HB2 MET 18 HB2 MET 18 -13.407 -0.573 -11.421 4 HB3 MET 18 HB3 MET 18 -14.718 -0.014 -12.451 5 HG2 MET 18 HG2 MET 18 -13.393 1.764 -13.301 6 HG3 MET 18 HG3 MET 18 -12.139 1.451 -12.109 7 HE1 MET 18 HE1 MET 18 -10.580 -1.893 -13.349 8 HE2 MET 18 HE2 MET 18 -11.844 -1.695 -12.133 9 HE3 MET 18 HE3 MET 18 -10.485 -0.571 -12.184 10 H ALA 19 H ALA 19 -14.663 1.345 -8.177 11 HA ALA 19 HA ALA 19 -12.038 2.546 -7.718 12 HB1 ALA 19 HB1 ALA 19 -14.368 2.149 -5.845 13 HB2 ALA 19 HB2 ALA 19 -13.955 3.642 -6.688 14 HB3 ALA 19 HB3 ALA 19 -12.867 2.992 -5.461 15 H LEU 20 H LEU 20 -10.886 1.710 -5.670 16 HA LEU 20 HA LEU 20 -11.025 -1.213 -5.631 17 HB2 LEU 20 HB2 LEU 20 -9.138 -0.537 -7.114 18 HB3 LEU 20 HB3 LEU 20 -8.432 0.336 -5.768 19 HG LEU 20 HG LEU 20 -8.276 -1.828 -4.524 20 HD11 LEU 20 HD11 LEU 20 -8.486 -3.907 -5.786 21 HD12 LEU 20 HD12 LEU 20 -9.057 -3.001 -7.188 22 HD13 LEU 20 HD13 LEU 20 -10.022 -3.043 -5.713 23 HD21 LEU 20 HD21 LEU 20 -6.362 -2.674 -5.802 24 HD22 LEU 20 HD22 LEU 20 -6.345 -0.914 -5.677 25 HD23 LEU 20 HD23 LEU 20 -6.855 -1.687 -7.179 26 H LYS 21 H LYS 21 -10.793 -2.060 -3.578 27 HA LYS 21 HA LYS 21 -10.501 -0.109 -1.442 28 HB2 LYS 21 HB2 LYS 21 -11.435 -2.982 -1.330 29 HB3 LYS 21 HB3 LYS 21 -11.636 -1.757 -0.080 30 HG2 LYS 21 HG2 LYS 21 -13.131 -0.501 -1.458 31 HG3 LYS 21 HG3 LYS 21 -12.820 -1.553 -2.837 32 HD2 LYS 21 HD2 LYS 21 -14.060 -2.463 -0.253 33 HD3 LYS 21 HD3 LYS 21 -14.977 -1.979 -1.679 34 HE2 LYS 21 HE2 LYS 21 -13.031 -4.270 -1.474 35 HE3 LYS 21 HE3 LYS 21 -14.786 -4.389 -1.586 36 HZ1 LYS 21 HZ1 LYS 21 -13.835 -4.815 -3.726 37 HZ2 LYS 21 HZ2 LYS 21 -12.918 -3.400 -3.676 38 HZ3 LYS 21 HZ3 LYS 21 -14.608 -3.308 -3.802 39 H CYS 22 H CYS 22 -8.647 0.046 -0.299 40 HA CYS 22 HA CYS 22 -6.918 -2.322 -0.202 41 HB2 CYS 22 HB2 CYS 22 -5.852 0.509 -0.341 42 HB3 CYS 22 HB3 CYS 22 -4.910 -0.975 -0.309 43 H PHE 23 H PHE 23 -6.463 -2.895 1.889 44 HA PHE 23 HA PHE 23 -7.378 -1.703 4.120 45 HB2 PHE 23 HB2 PHE 23 -4.922 -3.380 3.710 46 HB3 PHE 23 HB3 PHE 23 -5.311 -2.755 5.304 47 HD1 PHE 23 HD1 PHE 23 -8.181 -3.084 5.487 48 HD2 PHE 23 HD2 PHE 23 -5.256 -5.631 3.738 49 HE1 PHE 23 HE1 PHE 23 -9.616 -5.031 5.926 50 HE2 PHE 23 HE2 PHE 23 -6.689 -7.582 4.167 51 HZ PHE 23 HZ PHE 23 -8.874 -7.283 5.264 52 H THR 24 H THR 24 -7.146 0.361 4.742 53 HA THR 24 HA THR 24 -4.536 1.677 4.423 54 HB THR 24 HB THR 24 -7.154 2.929 5.288 55 HG1 THR 24 HG1 THR 24 -6.972 2.026 3.033 56 HG21 THR 24 HG21 THR 24 -6.044 5.037 4.767 57 HG22 THR 24 HG22 THR 24 -4.586 4.169 4.286 58 HG23 THR 24 HG23 THR 24 -5.115 4.139 5.968 59 H ARG 25 H ARG 25 -3.342 2.220 6.285 60 HA ARG 25 HA ARG 25 -4.304 0.800 8.670 61 HB2 ARG 25 HB2 ARG 25 -2.041 0.171 7.726 62 HB3 ARG 25 HB3 ARG 25 -1.488 1.777 8.192 63 HG2 ARG 25 HG2 ARG 25 -2.038 1.298 10.521 64 HG3 ARG 25 HG3 ARG 25 -2.602 -0.307 10.059 65 HD2 ARG 25 HD2 ARG 25 -0.407 -0.549 10.934 66 HD3 ARG 25 HD3 ARG 25 -0.304 -0.767 9.188 67 HE ARG 25 HE ARG 25 0.462 1.622 9.145 68 HH11 ARG 25 HH11 ARG 25 0.955 -0.398 11.985 69 HH12 ARG 25 HH12 ARG 25 2.329 0.512 12.530 70 HH21 ARG 25 HH21 ARG 25 2.299 2.789 9.871 71 HH22 ARG 25 HH22 ARG 25 3.096 2.307 11.331 72 H ASN 26 H ASN 26 -5.279 2.032 10.072 73 HA ASN 26 HA ASN 26 -4.586 4.879 10.320 74 HB2 ASN 26 HB2 ASN 26 -6.934 3.289 11.395 75 HB3 ASN 26 HB3 ASN 26 -6.658 4.999 11.714 76 HD21 ASN 26 HD21 ASN 26 -8.784 3.417 10.257 77 HD22 ASN 26 HD22 ASN 26 -8.931 4.224 8.737 78 H GLY 27 H GLY 27 -2.677 4.691 11.480 79 HA2 GLY 27 HA2 GLY 27 -1.527 4.688 13.544 80 HA3 GLY 27 HA3 GLY 27 -2.936 3.951 14.303 81 H ASP 28 H ASP 28 -3.461 1.740 13.577 82 HA ASP 28 HA ASP 28 -1.450 0.291 12.250 83 HB2 ASP 28 HB2 ASP 28 -0.606 0.130 14.644 84 HB3 ASP 28 HB3 ASP 28 -2.047 -0.831 14.986 85 H ASP 29 H ASP 29 -4.512 0.351 13.985 86 HA ASP 29 HA ASP 29 -5.763 -1.776 12.951 87 HB2 ASP 29 HB2 ASP 29 -6.992 -0.199 14.324 88 HB3 ASP 29 HB3 ASP 29 -6.876 1.039 13.073 89 H ARG 30 H ARG 30 -6.729 -2.360 10.962 90 HA ARG 30 HA ARG 30 -5.810 -0.727 8.736 91 HB2 ARG 30 HB2 ARG 30 -5.580 -3.744 8.869 92 HB3 ARG 30 HB3 ARG 30 -5.261 -2.763 7.438 93 HG2 ARG 30 HG2 ARG 30 -3.269 -2.040 8.206 94 HG3 ARG 30 HG3 ARG 30 -3.817 -1.970 9.879 95 HD2 ARG 30 HD2 ARG 30 -3.811 -4.626 9.526 96 HD3 ARG 30 HD3 ARG 30 -2.548 -4.178 8.378 97 HE ARG 30 HE ARG 30 -2.476 -3.314 11.205 98 HH11 ARG 30 HH11 ARG 30 -0.884 -4.629 8.370 99 HH12 ARG 30 HH12 ARG 30 0.637 -4.897 9.184 100 HH21 ARG 30 HH21 ARG 30 -0.487 -3.615 12.276 101 HH22 ARG 30 HH22 ARG 30 0.851 -4.306 11.403 102 H THR 31 H THR 31 -7.658 0.044 8.048 103 HA THR 31 HA THR 31 -10.066 -1.503 8.340 104 HB THR 31 HB THR 31 -9.955 1.276 7.208 105 HG1 THR 31 HG1 THR 31 -9.437 0.480 9.903 106 HG21 THR 31 HG21 THR 31 -12.128 0.206 7.356 107 HG22 THR 31 HG22 THR 31 -12.029 1.521 8.525 108 HG23 THR 31 HG23 THR 31 -11.865 -0.150 9.061 109 H VAL 32 H VAL 32 -11.617 -1.843 6.697 110 HA VAL 32 HA VAL 32 -10.514 -2.179 4.015 111 HB VAL 32 HB VAL 32 -13.307 -2.763 5.033 112 HG11 VAL 32 HG11 VAL 32 -11.965 -3.481 2.429 113 HG12 VAL 32 HG12 VAL 32 -13.278 -2.325 2.645 114 HG13 VAL 32 HG13 VAL 32 -13.556 -4.041 2.945 115 HG21 VAL 32 HG21 VAL 32 -11.675 -4.215 6.097 116 HG22 VAL 32 HG22 VAL 32 -11.004 -4.639 4.521 117 HG23 VAL 32 HG23 VAL 32 -12.648 -5.122 4.939 118 H THR 33 H THR 33 -10.278 -0.087 3.230 119 HA THR 33 HA THR 33 -12.780 1.402 2.993 120 HB THR 33 HB THR 33 -11.191 3.343 2.529 121 HG1 THR 33 HG1 THR 33 -9.132 2.830 2.486 122 HG21 THR 33 HG21 THR 33 -10.793 3.727 4.913 123 HG22 THR 33 HG22 THR 33 -11.108 2.025 5.246 124 HG23 THR 33 HG23 THR 33 -12.402 3.059 4.643 125 H THR 34 H THR 34 -13.338 2.377 1.068 126 HA THR 34 HA THR 34 -12.233 1.047 -1.288 127 HB THR 34 HB THR 34 -14.587 0.762 -1.257 128 HG1 THR 34 HG1 THR 34 -14.052 3.006 -2.933 129 HG21 THR 34 HG21 THR 34 -15.028 2.518 0.450 130 HG22 THR 34 HG22 THR 34 -16.195 2.497 -0.873 131 HG23 THR 34 HG23 THR 34 -14.928 3.726 -0.831 132 H CYS 35 H CYS 35 -10.762 2.173 -2.342 133 HA CYS 35 HA CYS 35 -10.592 5.063 -1.867 134 HB2 CYS 35 HB2 CYS 35 -8.493 3.083 -2.783 135 HB3 CYS 35 HB3 CYS 35 -8.249 4.825 -2.709 136 H ALA 36 H ALA 36 -9.692 6.224 -3.925 137 HA ALA 36 HA ALA 36 -11.839 5.944 -5.814 138 HB1 ALA 36 HB1 ALA 36 -9.376 7.679 -5.933 139 HB2 ALA 36 HB2 ALA 36 -10.920 8.139 -5.216 140 HB3 ALA 36 HB3 ALA 36 -10.811 7.828 -6.948 141 H GLU 37 H GLU 37 -11.662 5.310 -7.989 142 HA GLU 37 HA GLU 37 -9.871 3.315 -8.629 143 HB2 GLU 37 HB2 GLU 37 -10.672 3.738 -11.009 144 HB3 GLU 37 HB3 GLU 37 -11.865 3.336 -9.798 145 HG2 GLU 37 HG2 GLU 37 -12.077 5.946 -9.609 146 HG3 GLU 37 HG3 GLU 37 -11.438 5.870 -11.256 147 H GLU 38 H GLU 38 -9.614 6.739 -9.141 148 HA GLU 38 HA GLU 38 -7.329 7.106 -10.463 149 HB2 GLU 38 HB2 GLU 38 -8.138 9.008 -9.365 150 HB3 GLU 38 HB3 GLU 38 -8.254 8.186 -7.816 151 HG2 GLU 38 HG2 GLU 38 -5.751 8.161 -7.746 152 HG3 GLU 38 HG3 GLU 38 -5.770 9.204 -9.171 153 H GLN 39 H GLN 39 -7.656 5.532 -7.361 154 HA GLN 39 HA GLN 39 -4.762 5.132 -7.167 155 HB2 GLN 39 HB2 GLN 39 -6.544 4.571 -4.861 156 HB3 GLN 39 HB3 GLN 39 -4.920 5.257 -4.885 157 HG2 GLN 39 HG2 GLN 39 -5.851 7.356 -5.772 158 HG3 GLN 39 HG3 GLN 39 -7.461 6.666 -5.649 159 HE21 GLN 39 HE21 GLN 39 -4.870 8.156 -4.030 160 HE22 GLN 39 HE22 GLN 39 -5.624 8.292 -2.480 161 H THR 40 H THR 40 -5.441 3.540 -8.928 162 HA THR 40 HA THR 40 -6.871 1.245 -8.138 163 HB THR 40 HB THR 40 -5.329 0.745 -10.492 164 HG1 THR 40 HG1 THR 40 -6.736 3.201 -10.690 165 HG21 THR 40 HG21 THR 40 -7.571 -0.117 -10.087 166 HG22 THR 40 HG22 THR 40 -7.555 0.855 -11.558 167 HG23 THR 40 HG23 THR 40 -8.220 1.522 -10.068 168 H ARG 41 H ARG 41 -4.236 1.845 -6.734 169 HA ARG 41 HA ARG 41 -3.319 -0.890 -6.811 170 HB2 ARG 41 HB2 ARG 41 -1.392 1.430 -7.062 171 HB3 ARG 41 HB3 ARG 41 -0.911 -0.141 -6.446 172 HG2 ARG 41 HG2 ARG 41 -2.097 0.349 -9.159 173 HG3 ARG 41 HG3 ARG 41 -0.379 0.166 -8.815 174 HD2 ARG 41 HD2 ARG 41 -0.687 -2.083 -8.091 175 HD3 ARG 41 HD3 ARG 41 -2.442 -1.920 -8.146 176 HE ARG 41 HE ARG 41 -2.301 -1.843 -10.543 177 HH11 ARG 41 HH11 ARG 41 0.637 -2.814 -8.891 178 HH12 ARG 41 HH12 ARG 41 1.302 -3.607 -10.282 179 HH21 ARG 41 HH21 ARG 41 -1.429 -2.897 -12.370 180 HH22 ARG 41 HH22 ARG 41 0.124 -3.656 -12.264 181 H CYS 42 H CYS 42 -1.457 -0.792 -4.879 182 HA CYS 42 HA CYS 42 -2.672 0.517 -2.641 183 HB2 CYS 42 HB2 CYS 42 -2.277 -2.467 -2.351 184 HB3 CYS 42 HB3 CYS 42 -3.071 -1.360 -1.243 185 H LEU 43 H LEU 43 -1.143 0.807 -0.979 186 HA LEU 43 HA LEU 43 1.605 0.231 -1.875 187 HB2 LEU 43 HB2 LEU 43 0.582 2.634 -1.379 188 HB3 LEU 43 HB3 LEU 43 0.990 2.208 0.267 189 HG LEU 43 HG LEU 43 2.707 3.041 -1.951 190 HD11 LEU 43 HD11 LEU 43 3.054 3.075 1.031 191 HD12 LEU 43 HD12 LEU 43 2.375 4.369 0.045 192 HD13 LEU 43 HD13 LEU 43 4.066 3.912 -0.147 193 HD21 LEU 43 HD21 LEU 43 3.450 0.745 -1.889 194 HD22 LEU 43 HD22 LEU 43 3.637 0.826 -0.136 195 HD23 LEU 43 HD23 LEU 43 4.678 1.794 -1.179 196 H PHE 44 H PHE 44 2.448 -1.477 -0.803 197 HA PHE 44 HA PHE 44 2.203 -1.407 2.128 198 HB2 PHE 44 HB2 PHE 44 1.061 -3.377 1.387 199 HB3 PHE 44 HB3 PHE 44 2.356 -3.777 0.257 200 HD1 PHE 44 HD1 PHE 44 1.729 -3.334 3.913 201 HD2 PHE 44 HD2 PHE 44 3.986 -5.256 0.863 202 HE1 PHE 44 HE1 PHE 44 2.865 -4.709 5.613 203 HE2 PHE 44 HE2 PHE 44 5.129 -6.611 2.558 204 HZ PHE 44 HZ PHE 44 4.576 -6.350 4.925 205 H VAL 45 H VAL 45 4.077 -0.747 2.995 206 HA VAL 45 HA VAL 45 6.571 -1.445 1.580 207 HB VAL 45 HB VAL 45 6.195 0.808 3.573 208 HG11 VAL 45 HG11 VAL 45 8.552 0.080 1.837 209 HG12 VAL 45 HG12 VAL 45 8.448 -0.106 3.589 210 HG13 VAL 45 HG13 VAL 45 8.436 1.506 2.871 211 HG21 VAL 45 HG21 VAL 45 6.465 2.323 1.665 212 HG22 VAL 45 HG22 VAL 45 5.029 1.313 1.496 213 HG23 VAL 45 HG23 VAL 45 6.484 0.939 0.572 214 H GLN 46 H GLN 46 8.198 -2.463 2.802 215 HA GLN 46 HA GLN 46 7.236 -3.813 5.217 216 HB2 GLN 46 HB2 GLN 46 10.058 -4.080 4.357 217 HB3 GLN 46 HB3 GLN 46 8.992 -5.276 5.049 218 HG2 GLN 46 HG2 GLN 46 8.950 -4.332 2.192 219 HG3 GLN 46 HG3 GLN 46 9.691 -5.795 2.810 220 HE21 GLN 46 HE21 GLN 46 7.645 -6.469 4.658 221 HE22 GLN 46 HE22 GLN 46 6.299 -7.015 3.717 222 H LEU 47 H LEU 47 8.261 -3.524 7.210 223 HA LEU 47 HA LEU 47 10.097 -1.316 7.471 224 HB2 LEU 47 HB2 LEU 47 7.370 -1.260 8.732 225 HB3 LEU 47 HB3 LEU 47 8.726 -0.489 9.519 226 HG LEU 47 HG LEU 47 7.461 1.161 8.360 227 HD11 LEU 47 HD11 LEU 47 9.996 0.560 6.847 228 HD12 LEU 47 HD12 LEU 47 9.867 1.479 8.347 229 HD13 LEU 47 HD13 LEU 47 9.151 2.108 6.864 230 HD21 LEU 47 HD21 LEU 47 7.828 -0.495 5.883 231 HD22 LEU 47 HD22 LEU 47 7.129 1.124 5.941 232 HD23 LEU 47 HD23 LEU 47 6.319 -0.218 6.751 233 HA PRO 48 HA PRO 48 11.313 -4.046 10.798 234 HB2 PRO 48 HB2 PRO 48 13.241 -2.557 11.925 235 HB3 PRO 48 HB3 PRO 48 13.437 -3.274 10.322 236 HG2 PRO 48 HG2 PRO 48 12.876 -0.458 11.080 237 HG3 PRO 48 HG3 PRO 48 13.790 -1.094 9.703 238 HD2 PRO 48 HD2 PRO 48 11.128 -0.174 9.677 239 HD3 PRO 48 HD3 PRO 48 11.948 -1.068 8.384 240 H TYR 49 H TYR 49 9.405 -1.428 11.195 241 HA TYR 49 HA TYR 49 9.225 -1.847 14.105 242 HB2 TYR 49 HB2 TYR 49 8.954 0.794 12.650 243 HB3 TYR 49 HB3 TYR 49 8.693 0.551 14.372 244 HD1 TYR 49 HD1 TYR 49 10.667 -0.198 15.789 245 HD2 TYR 49 HD2 TYR 49 11.100 1.232 11.806 246 HE1 TYR 49 HE1 TYR 49 13.049 0.246 16.212 247 HE2 TYR 49 HE2 TYR 49 13.481 1.681 12.219 248 HH TYR 49 HH TYR 49 14.976 2.093 14.100 249 H SER 50 H SER 50 7.612 -1.767 11.118 250 HA SER 50 HA SER 50 5.090 -2.218 12.152 251 HB2 SER 50 HB2 SER 50 5.443 0.579 11.030 252 HB3 SER 50 HB3 SER 50 3.886 -0.184 11.337 253 HG SER 50 HG SER 50 5.445 -0.335 13.531 254 H GLU 51 H GLU 51 3.472 -1.442 10.007 255 HA GLU 51 HA GLU 51 4.994 -2.006 7.555 256 HB2 GLU 51 HB2 GLU 51 2.278 -3.139 8.307 257 HB3 GLU 51 HB3 GLU 51 3.095 -3.386 6.774 258 HG2 GLU 51 HG2 GLU 51 4.846 -4.641 7.856 259 HG3 GLU 51 HG3 GLU 51 4.147 -4.303 9.439 260 H ILE 52 H ILE 52 4.277 -0.882 5.712 261 HA ILE 52 HA ILE 52 2.536 1.404 6.350 262 HB ILE 52 HB ILE 52 4.514 0.991 4.113 263 HG12 ILE 52 HG12 ILE 52 4.261 3.098 6.259 264 HG13 ILE 52 HG13 ILE 52 5.401 1.762 6.275 265 HG21 ILE 52 HG21 ILE 52 3.829 3.176 3.234 266 HG22 ILE 52 HG22 ILE 52 2.521 3.236 4.415 267 HG23 ILE 52 HG23 ILE 52 2.517 2.001 3.156 268 HD11 ILE 52 HD11 ILE 52 6.481 2.670 4.280 269 HD12 ILE 52 HD12 ILE 52 6.479 3.827 5.611 270 HD13 ILE 52 HD13 ILE 52 5.338 4.014 4.279 271 H GLN 53 H GLN 53 0.590 1.624 5.365 272 HA GLN 53 HA GLN 53 -0.101 -0.070 3.167 273 HB2 GLN 53 HB2 GLN 53 -1.706 -0.235 5.728 274 HB3 GLN 53 HB3 GLN 53 -2.185 -0.924 4.186 275 HG2 GLN 53 HG2 GLN 53 -0.206 -2.390 4.258 276 HG3 GLN 53 HG3 GLN 53 0.189 -1.734 5.847 277 HE21 GLN 53 HE21 GLN 53 -3.077 -2.251 4.800 278 HE22 GLN 53 HE22 GLN 53 -3.416 -3.586 5.842 279 H GLU 54 H GLU 54 -1.429 1.007 1.832 280 HA GLU 54 HA GLU 54 -3.371 2.869 2.530 281 HB2 GLU 54 HB2 GLU 54 -2.205 4.960 1.635 282 HB3 GLU 54 HB3 GLU 54 -1.757 4.438 3.246 283 HG2 GLU 54 HG2 GLU 54 0.240 3.325 2.243 284 HG3 GLU 54 HG3 GLU 54 -0.174 4.095 0.710 285 H CYS 55 H CYS 55 -4.134 4.129 0.520 286 HA CYS 55 HA CYS 55 -3.779 2.413 -1.799 287 HB2 CYS 55 HB2 CYS 55 -5.679 4.745 -1.481 288 HB3 CYS 55 HB3 CYS 55 -5.757 3.467 -2.688 289 H LYS 56 H LYS 56 -3.115 3.103 -3.836 290 HA LYS 56 HA LYS 56 -2.099 5.811 -4.098 291 HB2 LYS 56 HB2 LYS 56 -0.325 3.407 -4.584 292 HB3 LYS 56 HB3 LYS 56 0.089 5.070 -4.965 293 HG2 LYS 56 HG2 LYS 56 -0.457 4.030 -2.198 294 HG3 LYS 56 HG3 LYS 56 1.146 4.216 -2.910 295 HD2 LYS 56 HD2 LYS 56 0.979 6.557 -2.945 296 HD3 LYS 56 HD3 LYS 56 -0.774 6.518 -2.714 297 HE2 LYS 56 HE2 LYS 56 -0.509 5.695 -0.477 298 HE3 LYS 56 HE3 LYS 56 1.229 5.547 -0.686 299 HZ1 LYS 56 HZ1 LYS 56 0.546 7.506 0.595 300 HZ2 LYS 56 HZ2 LYS 56 -0.259 8.110 -0.772 301 HZ3 LYS 56 HZ3 LYS 56 1.421 7.915 -0.801 302 H THR 57 H THR 57 -1.549 6.258 -6.406 303 HA THR 57 HA THR 57 -3.429 4.915 -8.174 304 HB THR 57 HB THR 57 -2.906 6.523 -9.813 305 HG1 THR 57 HG1 THR 57 -1.032 7.829 -9.703 306 HG21 THR 57 HG21 THR 57 -2.583 7.934 -7.164 307 HG22 THR 57 HG22 THR 57 -4.112 7.523 -7.939 308 HG23 THR 57 HG23 THR 57 -3.033 8.699 -8.688 309 H VAL 58 H VAL 58 -2.699 3.621 -9.940 310 HA VAL 58 HA VAL 58 -0.806 1.786 -9.438 311 HB VAL 58 HB VAL 58 -1.314 2.812 -12.259 312 HG11 VAL 58 HG11 VAL 58 -0.498 0.086 -11.263 313 HG12 VAL 58 HG12 VAL 58 0.537 1.236 -12.108 314 HG13 VAL 58 HG13 VAL 58 -0.840 0.513 -12.939 315 HG21 VAL 58 HG21 VAL 58 -3.425 2.391 -11.071 316 HG22 VAL 58 HG22 VAL 58 -2.884 0.751 -10.715 317 HG23 VAL 58 HG23 VAL 58 -3.158 1.245 -12.384 318 H GLN 59 H GLN 59 -0.170 4.505 -11.710 319 HA GLN 59 HA GLN 59 2.539 4.170 -11.887 320 HB2 GLN 59 HB2 GLN 59 1.582 5.666 -13.428 321 HB3 GLN 59 HB3 GLN 59 0.856 6.647 -12.159 322 HG2 GLN 59 HG2 GLN 59 3.048 7.435 -11.474 323 HG3 GLN 59 HG3 GLN 59 3.813 6.408 -12.686 324 HE21 GLN 59 HE21 GLN 59 4.791 8.171 -13.657 325 HE22 GLN 59 HE22 GLN 59 3.904 9.292 -14.631 326 H GLN 60 H GLN 60 0.834 6.283 -9.561 327 HA GLN 60 HA GLN 60 3.183 7.530 -8.544 328 HB2 GLN 60 HB2 GLN 60 1.227 8.678 -8.017 329 HB3 GLN 60 HB3 GLN 60 0.354 7.217 -7.590 330 HG2 GLN 60 HG2 GLN 60 1.679 7.036 -5.537 331 HG3 GLN 60 HG3 GLN 60 2.526 8.521 -5.964 332 HE21 GLN 60 HE21 GLN 60 -0.828 8.194 -6.710 333 HE22 GLN 60 HE22 GLN 60 -1.420 9.272 -5.496 334 H CYS 61 H CYS 61 1.565 4.487 -7.793 335 HA CYS 61 HA CYS 61 3.015 4.163 -5.301 336 HB2 CYS 61 HB2 CYS 61 0.722 3.088 -6.054 337 HB3 CYS 61 HB3 CYS 61 1.761 1.871 -6.781 338 H ALA 62 H ALA 62 3.468 3.387 -8.700 339 HA ALA 62 HA ALA 62 5.717 1.618 -8.276 340 HB1 ALA 62 HB1 ALA 62 4.894 3.202 -10.712 341 HB2 ALA 62 HB2 ALA 62 4.498 1.515 -10.380 342 HB3 ALA 62 HB3 ALA 62 6.173 1.990 -10.663 343 H GLU 63 H GLU 63 5.232 5.044 -9.036 344 HA GLU 63 HA GLU 63 7.758 6.005 -9.022 345 HB2 GLU 63 HB2 GLU 63 5.356 7.288 -7.737 346 HB3 GLU 63 HB3 GLU 63 6.784 8.129 -8.283 347 HG2 GLU 63 HG2 GLU 63 4.725 6.740 -9.943 348 HG3 GLU 63 HG3 GLU 63 5.130 8.444 -9.901 349 H VAL 64 H VAL 64 5.655 5.925 -6.164 350 HA VAL 64 HA VAL 64 7.543 6.496 -4.322 351 HB VAL 64 HB VAL 64 5.909 5.987 -2.749 352 HG11 VAL 64 HG11 VAL 64 5.361 7.893 -4.093 353 HG12 VAL 64 HG12 VAL 64 3.906 7.069 -3.535 354 HG13 VAL 64 HG13 VAL 64 4.461 6.848 -5.195 355 HG21 VAL 64 HG21 VAL 64 4.723 4.179 -4.741 356 HG22 VAL 64 HG22 VAL 64 3.869 4.686 -3.282 357 HG23 VAL 64 HG23 VAL 64 5.378 3.780 -3.158 358 H LEU 65 H LEU 65 6.573 3.342 -5.594 359 HA LEU 65 HA LEU 65 7.872 1.672 -3.916 360 HB2 LEU 65 HB2 LEU 65 6.722 1.308 -6.294 361 HB3 LEU 65 HB3 LEU 65 8.386 1.267 -6.828 362 HG LEU 65 HG LEU 65 8.003 -0.952 -6.519 363 HD11 LEU 65 HD11 LEU 65 8.895 -0.065 -3.820 364 HD12 LEU 65 HD12 LEU 65 9.893 -0.553 -5.188 365 HD13 LEU 65 HD13 LEU 65 8.883 -1.741 -4.363 366 HD21 LEU 65 HD21 LEU 65 6.553 -1.930 -4.824 367 HD22 LEU 65 HD22 LEU 65 5.704 -0.715 -5.782 368 HD23 LEU 65 HD23 LEU 65 6.262 -0.324 -4.156 369 H GLU 66 H GLU 66 9.347 3.443 -6.639 370 HA GLU 66 HA GLU 66 11.908 2.422 -6.052 371 HB2 GLU 66 HB2 GLU 66 11.221 3.147 -8.322 372 HB3 GLU 66 HB3 GLU 66 11.257 4.815 -7.763 373 HG2 GLU 66 HG2 GLU 66 13.622 4.670 -7.337 374 HG3 GLU 66 HG3 GLU 66 13.621 2.956 -7.744 375 H GLU 67 H GLU 67 10.257 5.302 -4.972 376 HA GLU 67 HA GLU 67 12.586 6.771 -4.273 377 HB2 GLU 67 HB2 GLU 67 11.075 8.146 -2.962 378 HB3 GLU 67 HB3 GLU 67 10.369 7.804 -4.542 379 HG2 GLU 67 HG2 GLU 67 9.080 6.052 -3.626 380 HG3 GLU 67 HG3 GLU 67 9.786 6.328 -2.047 381 H VAL 68 H VAL 68 10.372 4.676 -2.427 382 HA VAL 68 HA VAL 68 11.993 4.684 -0.137 383 HB VAL 68 HB VAL 68 10.552 2.866 0.698 384 HG11 VAL 68 HG11 VAL 68 9.788 5.152 0.904 385 HG12 VAL 68 HG12 VAL 68 8.419 4.085 0.594 386 HG13 VAL 68 HG13 VAL 68 9.071 5.085 -0.704 387 HG21 VAL 68 HG21 VAL 68 10.261 1.569 -1.349 388 HG22 VAL 68 HG22 VAL 68 9.342 2.883 -2.077 389 HG23 VAL 68 HG23 VAL 68 8.692 2.021 -0.684 390 H THR 69 H THR 69 11.767 2.413 -2.823 391 HA THR 69 HA THR 69 13.399 0.459 -1.641 392 HB THR 69 HB THR 69 12.679 0.913 -4.537 393 HG1 THR 69 HG1 THR 69 10.860 0.431 -3.459 394 HG21 THR 69 HG21 THR 69 14.653 -0.526 -4.421 395 HG22 THR 69 HG22 THR 69 13.222 -1.451 -4.887 396 HG23 THR 69 HG23 THR 69 13.842 -1.551 -3.237 397 H ALA 70 H ALA 70 14.187 3.307 -3.523 398 HA ALA 70 HA ALA 70 16.901 2.703 -3.841 399 HB1 ALA 70 HB1 ALA 70 15.589 5.412 -3.599 400 HB2 ALA 70 HB2 ALA 70 15.798 4.488 -5.087 401 HB3 ALA 70 HB3 ALA 70 17.208 5.105 -4.226 402 H ILE 71 H ILE 71 15.086 3.786 -1.112 403 HA ILE 71 HA ILE 71 17.388 4.606 0.436 404 HB ILE 71 HB ILE 71 14.665 3.946 1.559 405 HG12 ILE 71 HG12 ILE 71 15.539 6.589 0.372 406 HG13 ILE 71 HG13 ILE 71 14.371 5.492 -0.348 407 HG21 ILE 71 HG21 ILE 71 15.275 5.596 3.251 408 HG22 ILE 71 HG22 ILE 71 16.805 5.892 2.423 409 HG23 ILE 71 HG23 ILE 71 16.485 4.317 3.152 410 HD11 ILE 71 HD11 ILE 71 12.880 5.818 1.540 411 HD12 ILE 71 HD12 ILE 71 13.290 7.358 0.785 412 HD13 ILE 71 HD13 ILE 71 14.060 6.884 2.300 413 H GLY 72 H GLY 72 15.795 1.691 -0.340 414 HA2 GLY 72 HA2 GLY 72 16.738 -0.386 0.282 415 HA3 GLY 72 HA3 GLY 72 17.187 0.309 1.833 416 H TYR 73 H TYR 73 14.070 1.217 0.995 417 HA TYR 73 HA TYR 73 12.973 -0.764 2.847 418 HB2 TYR 73 HB2 TYR 73 12.049 1.971 1.983 419 HB3 TYR 73 HB3 TYR 73 11.022 0.869 2.883 420 HD1 TYR 73 HD1 TYR 73 11.777 0.104 5.173 421 HD2 TYR 73 HD2 TYR 73 13.662 3.295 3.085 422 HE1 TYR 73 HE1 TYR 73 12.754 0.899 7.283 423 HE2 TYR 73 HE2 TYR 73 14.647 4.099 5.193 424 HH TYR 73 HH TYR 73 14.247 3.950 7.587 425 HA PRO 74 HA PRO 74 11.311 -2.761 -0.892 426 HB2 PRO 74 HB2 PRO 74 10.212 -4.382 1.359 427 HB3 PRO 74 HB3 PRO 74 10.970 -4.917 -0.133 428 HG2 PRO 74 HG2 PRO 74 12.341 -5.036 2.096 429 HG3 PRO 74 HG3 PRO 74 13.121 -4.409 0.629 430 HD2 PRO 74 HD2 PRO 74 11.996 -2.898 2.962 431 HD3 PRO 74 HD3 PRO 74 13.514 -2.642 2.076 432 H ALA 75 H ALA 75 9.495 -1.918 -1.816 433 HA ALA 75 HA ALA 75 7.069 -1.906 -0.150 434 HB1 ALA 75 HB1 ALA 75 6.261 -0.052 -1.422 435 HB2 ALA 75 HB2 ALA 75 7.595 -0.188 -2.563 436 HB3 ALA 75 HB3 ALA 75 7.907 0.314 -0.903 437 H LYS 76 H LYS 76 5.064 -2.422 -1.137 438 HA LYS 76 HA LYS 76 5.226 -3.954 -3.653 439 HB2 LYS 76 HB2 LYS 76 3.521 -4.639 -1.253 440 HB3 LYS 76 HB3 LYS 76 3.760 -5.607 -2.684 441 HG2 LYS 76 HG2 LYS 76 6.107 -4.903 -1.029 442 HG3 LYS 76 HG3 LYS 76 4.976 -6.116 -0.428 443 HD2 LYS 76 HD2 LYS 76 5.205 -7.290 -2.614 444 HD3 LYS 76 HD3 LYS 76 6.497 -6.156 -3.020 445 HE2 LYS 76 HE2 LYS 76 7.077 -8.425 -1.987 446 HE3 LYS 76 HE3 LYS 76 7.918 -6.998 -1.406 447 HZ1 LYS 76 HZ1 LYS 76 7.201 -8.413 0.423 448 HZ2 LYS 76 HZ2 LYS 76 5.596 -8.330 -0.093 449 HZ3 LYS 76 HZ3 LYS 76 6.379 -6.938 0.470 450 H CYS 77 H CYS 77 3.972 -2.924 -5.149 451 HA CYS 77 HA CYS 77 1.377 -1.906 -4.223 452 HB2 CYS 77 HB2 CYS 77 2.999 -1.047 -6.627 453 HB3 CYS 77 HB3 CYS 77 1.461 -0.364 -6.124 454 H CYS 78 H CYS 78 0.136 -3.713 -4.501 455 HA CYS 78 HA CYS 78 0.014 -4.867 -7.200 456 HB2 CYS 78 HB2 CYS 78 -1.117 -6.791 -5.976 457 HB3 CYS 78 HB3 CYS 78 0.598 -6.554 -5.651 458 H CYS 79 H CYS 79 -2.268 -5.754 -7.740 459 HA CYS 79 HA CYS 79 -4.159 -3.625 -7.055 460 HB2 CYS 79 HB2 CYS 79 -3.407 -3.317 -9.387 461 HB3 CYS 79 HB3 CYS 79 -3.911 -4.957 -9.758 462 HG CYS 79 HG CYS 79 -6.144 -2.640 -8.620 463 H GLU 80 H GLU 80 -5.352 -4.629 -5.641 464 HA GLU 80 HA GLU 80 -7.223 -6.624 -6.327 465 HB2 GLU 80 HB2 GLU 80 -5.269 -8.129 -6.131 466 HB3 GLU 80 HB3 GLU 80 -4.922 -7.487 -4.536 467 HG2 GLU 80 HG2 GLU 80 -7.408 -8.307 -4.090 468 HG3 GLU 80 HG3 GLU 80 -6.999 -9.407 -5.404 469 H ASP 81 H ASP 81 -8.679 -6.953 -4.397 470 HA ASP 81 HA ASP 81 -8.732 -4.499 -2.850 471 HB2 ASP 81 HB2 ASP 81 -10.495 -6.951 -2.711 472 HB3 ASP 81 HB3 ASP 81 -10.618 -5.592 -1.601 473 H LEU 82 H LEU 82 -8.065 -4.303 -0.847 474 HA LEU 82 HA LEU 82 -7.031 -4.730 1.124 475 HB2 LEU 82 HB2 LEU 82 -7.949 -7.586 0.780 476 HB3 LEU 82 HB3 LEU 82 -7.606 -6.754 2.278 477 HG LEU 82 HG LEU 82 -9.853 -6.658 2.383 478 HD11 LEU 82 HD11 LEU 82 -9.256 -4.338 2.254 479 HD12 LEU 82 HD12 LEU 82 -10.844 -4.618 1.539 480 HD13 LEU 82 HD13 LEU 82 -9.439 -4.379 0.500 481 HD21 LEU 82 HD21 LEU 82 -9.914 -6.888 -0.574 482 HD22 LEU 82 HD22 LEU 82 -11.362 -6.615 0.394 483 HD23 LEU 82 HD23 LEU 82 -10.401 -8.073 0.636 484 H CYS 83 H CYS 83 -5.776 -5.521 -1.613 485 HA CYS 83 HA CYS 83 -4.061 -7.591 -1.272 486 HB2 CYS 83 HB2 CYS 83 -4.500 -6.208 -3.383 487 HB3 CYS 83 HB3 CYS 83 -3.219 -5.142 -2.815 488 H ASN 84 H ASN 84 -3.071 -4.168 -0.747 489 HA ASN 84 HA ASN 84 -0.767 -4.865 0.557 490 HB2 ASN 84 HB2 ASN 84 -0.653 -2.597 1.423 491 HB3 ASN 84 HB3 ASN 84 -1.215 -2.582 -0.238 492 HD21 ASN 84 HD21 ASN 84 -3.948 -3.436 0.666 493 HD22 ASN 84 HD22 ASN 84 -4.649 -2.002 1.329 494 H ARG 85 H ARG 85 -0.405 -5.905 2.434 495 HA ARG 85 HA ARG 85 -2.206 -5.713 4.620 496 HB2 ARG 85 HB2 ARG 85 -2.737 -8.212 4.622 497 HB3 ARG 85 HB3 ARG 85 -3.612 -7.220 3.463 498 HG2 ARG 85 HG2 ARG 85 -1.746 -7.899 1.814 499 HG3 ARG 85 HG3 ARG 85 -1.408 -9.181 2.978 500 HD2 ARG 85 HD2 ARG 85 -3.513 -10.166 2.676 501 HD3 ARG 85 HD3 ARG 85 -4.180 -8.718 1.924 502 HE ARG 85 HE ARG 85 -2.043 -10.184 0.552 503 HH11 ARG 85 HH11 ARG 85 -5.380 -9.140 0.672 504 HH12 ARG 85 HH12 ARG 85 -5.713 -9.567 -0.988 505 HH21 ARG 85 HH21 ARG 85 -2.487 -10.721 -1.653 506 HH22 ARG 85 HH22 ARG 85 -4.080 -10.444 -2.300 507 H SER 86 H SER 86 -1.551 -7.282 6.376 508 HA SER 86 HA SER 86 1.089 -6.996 7.024 509 HB2 SER 86 HB2 SER 86 -0.744 -9.201 7.990 510 HB3 SER 86 HB3 SER 86 0.660 -8.550 8.839 511 HG SER 86 HG SER 86 -0.404 -6.645 9.144 512 H GLU 87 H GLU 87 2.914 -7.956 6.461 513 HA GLU 87 HA GLU 87 2.758 -10.576 5.126 514 HB2 GLU 87 HB2 GLU 87 3.235 -8.900 3.412 515 HB3 GLU 87 HB3 GLU 87 4.572 -8.275 4.367 516 HG2 GLU 87 HG2 GLU 87 5.741 -10.399 4.124 517 HG3 GLU 87 HG3 GLU 87 4.405 -11.026 3.160 518 H GLN 88 H GLN 88 4.875 -8.269 6.821 519 HA GLN 88 HA GLN 88 5.891 -10.185 8.533 520 HB2 GLN 88 HB2 GLN 88 8.288 -10.265 7.755 521 HB3 GLN 88 HB3 GLN 88 7.147 -11.181 6.787 522 HG2 GLN 88 HG2 GLN 88 8.509 -10.170 5.213 523 HG3 GLN 88 HG3 GLN 88 7.092 -9.125 5.256 524 HE21 GLN 88 HE21 GLN 88 10.442 -9.446 6.112 525 HE22 GLN 88 HE22 GLN 88 10.734 -7.772 6.418
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