NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
10745 | 1q7i | 5949 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1HT GLY 1 -12.811 -15.049 2.357 2 2H GLY 1 2HT GLY 1 -13.742 -13.721 1.851 3 3H GLY 1 3HT GLY 1 -13.216 -13.829 3.463 4 1HA GLY 1 1HA GLY 1 -10.964 -13.482 2.863 5 2HA GLY 1 2HA GLY 1 -11.372 -13.623 1.151 6 H LYS 2 H LYS 2 -10.505 -11.457 0.822 7 HA LYS 2 HA LYS 2 -12.534 -9.378 1.370 8 1HB LYS 2 2HB LYS 2 -9.986 -9.556 2.769 9 2HB LYS 2 1HB LYS 2 -10.124 -8.046 1.868 10 1HG LYS 2 2HG LYS 2 -12.622 -8.227 2.960 11 2HG LYS 2 1HG LYS 2 -11.645 -8.975 4.224 12 1HD LYS 2 2HD LYS 2 -10.246 -7.035 4.412 13 2HD LYS 2 1HD LYS 2 -10.942 -6.319 2.957 14 1HE LYS 2 2HE LYS 2 -12.425 -5.267 4.289 15 2HE LYS 2 1HE LYS 2 -13.140 -6.845 4.617 16 1HZ LYS 2 1HZ LYS 2 -11.639 -7.129 6.464 17 2HZ LYS 2 2HZ LYS 2 -12.502 -5.676 6.649 18 3HZ LYS 2 3HZ LYS 2 -10.883 -5.648 6.130 19 H GLU 3 H GLU 3 -12.896 -8.515 -0.608 20 HA GLU 3 HA GLU 3 -10.557 -8.210 -2.454 21 1HB GLU 3 2HB GLU 3 -12.161 -8.437 -4.314 22 2HB GLU 3 1HB GLU 3 -12.198 -9.862 -3.275 23 1HG GLU 3 2HG GLU 3 -14.166 -8.931 -2.090 24 2HG GLU 3 1HG GLU 3 -14.145 -7.539 -3.173 25 H CYS 4 H CYS 4 -11.012 -6.197 -0.626 26 HA CYS 4 HA CYS 4 -12.720 -4.171 -1.895 27 1HB CYS 4 2HB CYS 4 -11.274 -4.409 0.670 28 2HB CYS 4 1HB CYS 4 -11.497 -2.784 0.031 29 H ASP 5 H ASP 5 -11.169 -4.535 -3.859 30 HA ASP 5 HA ASP 5 -8.599 -3.838 -4.246 31 1HB ASP 5 2HB ASP 5 -10.371 -4.137 -6.036 32 2HB ASP 5 1HB ASP 5 -10.773 -2.434 -5.815 33 H CYS 6 H CYS 6 -11.118 -1.457 -3.408 34 HA CYS 6 HA CYS 6 -8.886 0.450 -2.831 35 1HB CYS 6 2HB CYS 6 -10.102 2.257 -3.687 36 2HB CYS 6 1HB CYS 6 -10.512 0.970 -4.813 37 H SER 7 H SER 7 -9.749 2.234 -1.232 38 HA SER 7 HA SER 7 -11.217 0.797 0.941 39 1HB SER 7 2HB SER 7 -10.041 2.504 2.435 40 2HB SER 7 1HB SER 7 -9.003 1.290 1.691 41 HG SER 7 HG SER 7 -8.029 3.209 1.291 42 H SER 8 H SER 8 -11.310 3.448 -1.227 43 HA SER 8 HA SER 8 -13.223 4.962 0.446 44 1HB SER 8 2HB SER 8 -11.371 5.655 -1.584 45 2HB SER 8 1HB SER 8 -12.978 6.018 -2.203 46 HG SER 8 HG SER 8 -13.345 7.326 -0.469 47 HA PRO 9 HA PRO 9 -16.525 2.823 -1.653 48 1HB PRO 9 2HB PRO 9 -18.557 4.102 -0.314 49 2HB PRO 9 1HB PRO 9 -17.612 2.772 0.380 50 1HG PRO 9 2HG PRO 9 -17.478 5.687 0.991 51 2HG PRO 9 1HG PRO 9 -17.053 4.304 2.014 52 1HD PRO 9 2HD PRO 9 -15.229 5.962 0.611 53 2HD PRO 9 1HD PRO 9 -14.853 4.408 1.384 54 H GLU 10 H GLU 10 -15.485 5.893 -2.161 55 HA GLU 10 HA GLU 10 -17.757 6.509 -4.013 56 1HB GLU 10 2HB GLU 10 -17.017 8.051 -1.880 57 2HB GLU 10 1HB GLU 10 -16.024 8.750 -3.158 58 1HG GLU 10 2HG GLU 10 -18.262 8.668 -4.544 59 2HG GLU 10 1HG GLU 10 -19.015 8.607 -2.950 60 H ASN 11 H ASN 11 -14.648 5.451 -3.905 61 HA ASN 11 HA ASN 11 -13.376 7.088 -5.891 62 1HB ASN 11 2HB ASN 11 -12.603 5.002 -4.215 63 2HB ASN 11 1HB ASN 11 -12.458 4.322 -5.836 64 1HD2 ASN 11 1HD2 ASN 11 -10.162 4.431 -6.018 65 2HD2 ASN 11 2HD2 ASN 11 -9.300 5.895 -6.016 66 HA PRO 12 HA PRO 12 -15.417 5.411 -9.446 67 1HB PRO 12 2HB PRO 12 -13.794 6.600 -11.316 68 2HB PRO 12 1HB PRO 12 -15.053 7.468 -10.423 69 1HG PRO 12 2HG PRO 12 -12.096 7.580 -10.081 70 2HG PRO 12 1HG PRO 12 -13.320 8.795 -9.673 71 1HD PRO 12 2HD PRO 12 -12.032 7.029 -7.856 72 2HD PRO 12 1HD PRO 12 -13.438 8.057 -7.509 73 H CYS 13 H CYS 13 -12.059 4.874 -8.691 74 HA CYS 13 HA CYS 13 -11.535 3.095 -10.945 75 1HB CYS 13 2HB CYS 13 -10.047 3.718 -8.394 76 2HB CYS 13 1HB CYS 13 -9.492 2.483 -9.516 77 H CYS 14 H CYS 14 -12.909 2.727 -7.758 78 HA CYS 14 HA CYS 14 -12.850 -0.230 -8.199 79 1HB CYS 14 2HB CYS 14 -13.083 -0.474 -5.756 80 2HB CYS 14 1HB CYS 14 -11.619 0.408 -6.188 81 H ASP 15 H ASP 15 -14.745 -1.081 -6.517 82 HA ASP 15 HA ASP 15 -17.234 0.367 -7.280 83 1HB ASP 15 2HB ASP 15 -16.464 -1.803 -8.637 84 2HB ASP 15 1HB ASP 15 -17.234 -2.593 -7.270 85 H ALA 16 H ALA 16 -18.749 0.427 -5.635 86 HA ALA 16 HA ALA 16 -17.919 -0.520 -3.016 87 1HB ALA 16 1HB ALA 16 -20.310 0.392 -2.445 88 2HB ALA 16 2HB ALA 16 -20.246 1.054 -4.078 89 3HB ALA 16 3HB ALA 16 -19.036 1.529 -2.886 90 H ALA 17 H ALA 17 -20.217 -1.512 -5.489 91 HA ALA 17 HA ALA 17 -21.770 -3.311 -3.914 92 1HB ALA 17 1HB ALA 17 -21.422 -4.381 -6.547 93 2HB ALA 17 2HB ALA 17 -21.525 -2.626 -6.671 94 3HB ALA 17 3HB ALA 17 -22.821 -3.532 -5.891 95 H THR 18 H THR 18 -18.672 -3.713 -5.582 96 HA THR 18 HA THR 18 -18.412 -6.357 -4.210 97 HB THR 18 HB THR 18 -18.684 -6.622 -6.666 98 HG1 THR 18 HG1 THR 18 -17.313 -8.181 -6.479 99 1HG2 THR 18 1HG2 THR 18 -16.623 -5.827 -8.019 100 2HG2 THR 18 2HG2 THR 18 -16.342 -4.728 -6.669 101 3HG2 THR 18 3HG2 THR 18 -17.842 -4.625 -7.590 102 H CYS 19 H CYS 19 -17.440 -3.334 -3.931 103 HA CYS 19 HA CYS 19 -15.461 -2.270 -3.185 104 1HB CYS 19 2HB CYS 19 -16.018 -4.413 -1.572 105 2HB CYS 19 1HB CYS 19 -14.376 -4.738 -2.060 106 H LYS 20 H LYS 20 -15.233 -3.440 -5.910 107 HA LYS 20 HA LYS 20 -12.278 -3.760 -5.816 108 1HB LYS 20 2HB LYS 20 -14.161 -5.854 -6.457 109 2HB LYS 20 1HB LYS 20 -13.095 -5.526 -7.825 110 1HG LYS 20 2HG LYS 20 -11.537 -5.478 -5.419 111 2HG LYS 20 1HG LYS 20 -12.485 -6.965 -5.447 112 1HD LYS 20 2HD LYS 20 -11.674 -7.432 -7.738 113 2HD LYS 20 1HD LYS 20 -10.705 -5.959 -7.688 114 1HE LYS 20 2HE LYS 20 -10.207 -7.567 -5.333 115 2HE LYS 20 1HE LYS 20 -9.939 -8.518 -6.794 116 1HZ LYS 20 1HZ LYS 20 -8.897 -5.840 -6.941 117 2HZ LYS 20 2HZ LYS 20 -8.158 -7.316 -7.341 118 3HZ LYS 20 3HZ LYS 20 -8.171 -6.779 -5.729 119 H LEU 21 H LEU 21 -11.288 -3.583 -8.026 120 HA LEU 21 HA LEU 21 -11.820 -1.211 -9.295 121 1HB LEU 21 2HB LEU 21 -10.684 -3.775 -10.334 122 2HB LEU 21 1HB LEU 21 -10.939 -2.421 -11.435 123 HG LEU 21 HG LEU 21 -9.406 -2.222 -8.832 124 1HD1 LEU 21 1HD1 LEU 21 -8.418 -2.457 -11.689 125 2HD1 LEU 21 2HD1 LEU 21 -8.208 -3.660 -10.416 126 3HD1 LEU 21 3HD1 LEU 21 -7.400 -2.097 -10.294 127 1HD2 LEU 21 1HD2 LEU 21 -10.299 -0.326 -10.909 128 2HD2 LEU 21 2HD2 LEU 21 -8.611 -0.164 -10.427 129 3HD2 LEU 21 3HD2 LEU 21 -9.888 -0.037 -9.218 130 H ARG 22 H ARG 22 -13.570 -0.432 -10.263 131 HA ARG 22 HA ARG 22 -15.635 -2.277 -11.263 132 1HB ARG 22 2HB ARG 22 -16.738 -0.604 -10.135 133 2HB ARG 22 1HB ARG 22 -15.525 0.609 -10.517 134 1HG ARG 22 2HG ARG 22 -16.364 0.749 -12.824 135 2HG ARG 22 1HG ARG 22 -17.547 -0.514 -12.481 136 1HD ARG 22 2HD ARG 22 -18.692 0.880 -10.890 137 2HD ARG 22 1HD ARG 22 -17.411 2.091 -10.941 138 HE ARG 22 HE ARG 22 -18.207 2.088 -13.531 139 1HH1 ARG 22 1HH1 ARG 22 -19.112 4.303 -11.794 140 2HH1 ARG 22 2HH1 ARG 22 -20.837 4.183 -11.882 141 1HH2 ARG 22 1HH2 ARG 22 -20.811 0.944 -13.125 142 2HH2 ARG 22 2HH2 ARG 22 -21.800 2.280 -12.639 143 HA PRO 23 HA PRO 23 -14.521 0.035 -15.275 144 1HB PRO 23 2HB PRO 23 -12.359 1.728 -15.236 145 2HB PRO 23 1HB PRO 23 -14.016 2.248 -14.876 146 1HG PRO 23 2HG PRO 23 -11.737 1.832 -13.009 147 2HG PRO 23 1HG PRO 23 -13.168 2.859 -12.822 148 1HD PRO 23 2HD PRO 23 -12.746 0.313 -11.634 149 2HD PRO 23 1HD PRO 23 -14.263 1.235 -11.645 150 H GLY 24 H GLY 24 -12.380 0.121 -16.819 151 1HA GLY 24 2HA GLY 24 -11.026 -2.450 -16.338 152 2HA GLY 24 1HA GLY 24 -10.925 -1.486 -17.812 153 H ALA 25 H ALA 25 -10.467 0.202 -14.839 154 HA ALA 25 HA ALA 25 -7.886 1.145 -15.532 155 1HB ALA 25 1HB ALA 25 -8.972 0.911 -12.716 156 2HB ALA 25 2HB ALA 25 -9.500 2.153 -13.850 157 3HB ALA 25 3HB ALA 25 -7.818 2.096 -13.326 158 H GLN 26 H GLN 26 -6.291 0.745 -13.255 159 HA GLN 26 HA GLN 26 -5.860 -2.208 -13.252 160 1HB GLN 26 2HB GLN 26 -4.159 -0.167 -14.349 161 2HB GLN 26 1HB GLN 26 -3.336 -0.965 -13.010 162 1HG GLN 26 2HG GLN 26 -2.792 -2.447 -14.689 163 2HG GLN 26 1HG GLN 26 -4.342 -3.139 -14.210 164 1HE2 GLN 26 1HE2 GLN 26 -2.632 -1.578 -16.804 165 2HE2 GLN 26 2HE2 GLN 26 -3.933 -1.498 -17.890 166 H CYS 27 H CYS 27 -6.806 0.149 -11.348 167 HA CYS 27 HA CYS 27 -6.064 -1.106 -8.924 168 1HB CYS 27 2HB CYS 27 -4.597 0.966 -8.152 169 2HB CYS 27 1HB CYS 27 -3.865 -0.428 -8.943 170 H GLY 28 H GLY 28 -6.915 0.005 -7.054 171 1HA GLY 28 2HA GLY 28 -8.939 2.048 -7.819 172 2HA GLY 28 1HA GLY 28 -9.049 0.995 -6.411 173 H GLU 29 H GLU 29 -6.156 1.456 -5.780 174 HA GLU 29 HA GLU 29 -5.666 4.232 -5.397 175 1HB GLU 29 2HB GLU 29 -6.237 4.422 -2.988 176 2HB GLU 29 1HB GLU 29 -7.662 4.177 -3.999 177 1HG GLU 29 2HG GLU 29 -8.073 2.099 -3.147 178 2HG GLU 29 1HG GLU 29 -6.360 1.708 -2.999 179 H GLY 30 H GLY 30 -3.633 4.527 -4.578 180 1HA GLY 30 2HA GLY 30 -2.222 2.832 -2.787 181 2HA GLY 30 1HA GLY 30 -1.816 2.352 -4.433 182 H LEU 31 H LEU 31 0.436 3.217 -3.904 183 HA LEU 31 HA LEU 31 0.438 6.198 -3.898 184 1HB LEU 31 2HB LEU 31 1.792 4.316 -2.368 185 2HB LEU 31 1HB LEU 31 2.990 4.975 -3.471 186 HG LEU 31 HG LEU 31 1.266 6.403 -1.489 187 1HD1 LEU 31 1HD1 LEU 31 3.273 6.982 -0.436 188 2HD1 LEU 31 2HD1 LEU 31 4.215 6.776 -1.913 189 3HD1 LEU 31 3HD1 LEU 31 3.631 5.362 -1.036 190 1HD2 LEU 31 1HD2 LEU 31 2.147 7.343 -4.075 191 2HD2 LEU 31 2HD2 LEU 31 2.937 8.271 -2.800 192 3HD2 LEU 31 3HD2 LEU 31 1.176 8.189 -2.869 193 H CYS 32 H CYS 32 1.315 3.323 -5.577 194 HA CYS 32 HA CYS 32 2.606 4.902 -7.743 195 1HB CYS 32 2HB CYS 32 3.146 2.266 -6.561 196 2HB CYS 32 1HB CYS 32 3.110 2.265 -8.325 197 H CYS 33 H CYS 33 -0.072 5.129 -7.864 198 HA CYS 33 HA CYS 33 -0.733 3.392 -10.176 199 1HB CYS 33 2HB CYS 33 -1.911 2.165 -8.551 200 2HB CYS 33 1HB CYS 33 -2.362 3.599 -7.640 201 H GLU 34 H GLU 34 -0.972 4.884 -11.738 202 HA GLU 34 HA GLU 34 -1.617 7.624 -11.337 203 1HB GLU 34 2HB GLU 34 -0.876 6.014 -13.489 204 2HB GLU 34 1HB GLU 34 -2.474 6.614 -13.919 205 1HG GLU 34 2HG GLU 34 -1.457 8.904 -13.005 206 2HG GLU 34 1HG GLU 34 0.056 8.127 -13.473 207 H GLN 35 H GLN 35 -3.689 8.427 -12.809 208 HA GLN 35 HA GLN 35 -5.966 7.901 -11.213 209 1HB GLN 35 2HB GLN 35 -5.913 8.867 -14.089 210 2HB GLN 35 1HB GLN 35 -7.232 9.090 -12.939 211 1HG GLN 35 2HG GLN 35 -5.237 10.144 -11.482 212 2HG GLN 35 1HG GLN 35 -4.598 10.472 -13.093 213 1HE2 GLN 35 1HE2 GLN 35 -5.215 12.754 -11.828 214 2HE2 GLN 35 2HE2 GLN 35 -6.707 13.391 -12.326 215 H CYS 36 H CYS 36 -6.234 5.633 -11.047 216 HA CYS 36 HA CYS 36 -7.253 3.601 -11.646 217 1HB CYS 36 2HB CYS 36 -8.312 5.530 -13.606 218 2HB CYS 36 1HB CYS 36 -8.266 3.869 -14.189 219 H LYS 37 H LYS 37 -4.479 3.938 -12.127 220 HA LYS 37 HA LYS 37 -4.139 1.991 -14.315 221 1HB LYS 37 2HB LYS 37 -3.732 4.755 -14.780 222 2HB LYS 37 1HB LYS 37 -2.130 4.022 -14.684 223 1HG LYS 37 2HG LYS 37 -4.106 2.460 -16.226 224 2HG LYS 37 1HG LYS 37 -3.684 4.020 -16.935 225 1HD LYS 37 2HD LYS 37 -1.564 3.364 -17.424 226 2HD LYS 37 1HD LYS 37 -1.383 2.493 -15.901 227 1HE LYS 37 2HE LYS 37 -1.480 0.655 -17.257 228 2HE LYS 37 1HE LYS 37 -3.219 0.918 -17.128 229 1HZ LYS 37 1HZ LYS 37 -2.204 2.594 -19.132 230 2HZ LYS 37 2HZ LYS 37 -3.296 1.301 -19.290 231 3HZ LYS 37 3HZ LYS 37 -1.625 1.026 -19.419 232 H PHE 38 H PHE 38 -2.235 0.761 -14.076 233 HA PHE 38 HA PHE 38 -0.975 0.897 -11.431 234 1HB PHE 38 2HB PHE 38 -0.971 -0.999 -13.728 235 2HB PHE 38 1HB PHE 38 0.474 -0.980 -12.726 236 HD1 PHE 38 HD1 PHE 38 -1.984 -3.055 -13.122 237 HD2 PHE 38 HD2 PHE 38 -0.744 -0.307 -10.059 238 HE1 PHE 38 HE1 PHE 38 -3.132 -4.439 -11.414 239 HE2 PHE 38 HE2 PHE 38 -1.896 -1.694 -8.356 240 HZ PHE 38 HZ PHE 38 -3.088 -3.757 -9.032 241 H SER 39 H SER 39 0.819 2.129 -11.051 242 HA SER 39 HA SER 39 2.188 3.641 -12.986 243 1HB SER 39 2HB SER 39 3.190 2.544 -10.370 244 2HB SER 39 1HB SER 39 4.065 3.728 -11.324 245 HG SER 39 HG SER 39 2.605 5.214 -10.837 246 H ARG 40 H ARG 40 4.768 3.156 -13.274 247 HA ARG 40 HA ARG 40 4.822 0.559 -14.637 248 1HB ARG 40 2HB ARG 40 6.271 3.100 -14.852 249 2HB ARG 40 1HB ARG 40 7.281 1.677 -15.085 250 1HG ARG 40 2HG ARG 40 6.011 0.930 -16.923 251 2HG ARG 40 1HG ARG 40 4.627 1.934 -16.489 252 1HD ARG 40 2HD ARG 40 7.302 3.089 -17.311 253 2HD ARG 40 1HD ARG 40 5.995 2.784 -18.456 254 HE ARG 40 HE ARG 40 4.741 4.294 -16.551 255 1HH1 ARG 40 1HH1 ARG 40 7.462 5.364 -15.825 256 2HH1 ARG 40 2HH1 ARG 40 7.583 6.752 -16.855 257 1HH2 ARG 40 1HH2 ARG 40 4.999 5.760 -18.943 258 2HH2 ARG 40 2HH2 ARG 40 6.189 6.975 -18.619 259 H ALA 41 H ALA 41 6.053 -1.183 -13.907 260 HA ALA 41 HA ALA 41 6.863 -1.378 -11.224 261 1HB ALA 41 1HB ALA 41 8.638 -3.051 -12.576 262 2HB ALA 41 2HB ALA 41 7.249 -2.945 -13.658 263 3HB ALA 41 3HB ALA 41 7.033 -3.496 -11.996 264 H GLY 42 H GLY 42 9.393 -1.902 -10.723 265 1HA GLY 42 2HA GLY 42 11.477 -0.869 -10.386 266 2HA GLY 42 1HA GLY 42 11.384 -0.402 -12.084 267 H LYS 43 H LYS 43 8.905 0.487 -9.797 268 HA LYS 43 HA LYS 43 9.756 3.325 -10.078 269 1HB LYS 43 2HB LYS 43 7.496 2.905 -10.917 270 2HB LYS 43 1HB LYS 43 7.063 2.101 -9.411 271 1HG LYS 43 2HG LYS 43 6.211 4.413 -9.454 272 2HG LYS 43 1HG LYS 43 7.402 4.206 -8.179 273 1HD LYS 43 2HD LYS 43 9.149 5.121 -9.722 274 2HD LYS 43 1HD LYS 43 7.882 5.426 -10.911 275 1HE LYS 43 2HE LYS 43 7.241 6.472 -8.246 276 2HE LYS 43 1HE LYS 43 8.680 7.206 -8.955 277 1HZ LYS 43 1HZ LYS 43 6.241 8.049 -9.492 278 2HZ LYS 43 2HZ LYS 43 6.373 6.865 -10.704 279 3HZ LYS 43 3HZ LYS 43 7.501 8.135 -10.625 280 H ILE 44 H ILE 44 9.210 4.620 -7.931 281 HA ILE 44 HA ILE 44 10.127 2.848 -5.733 282 HB ILE 44 HB ILE 44 10.714 5.593 -6.498 283 1HG1 ILE 44 2HG1 ILE 44 12.398 3.847 -6.278 284 2HG1 ILE 44 1HG1 ILE 44 12.707 5.100 -5.075 285 1HG2 ILE 44 1HG2 ILE 44 9.770 5.011 -3.701 286 2HG2 ILE 44 2HG2 ILE 44 9.444 6.424 -4.704 287 3HG2 ILE 44 3HG2 ILE 44 11.038 6.206 -3.980 288 1HD1 ILE 44 1HD1 ILE 44 12.862 3.158 -3.783 289 2HD1 ILE 44 2HD1 ILE 44 11.585 2.340 -4.681 290 3HD1 ILE 44 3HD1 ILE 44 11.177 3.620 -3.538 291 H CYS 45 H CYS 45 8.288 1.983 -4.843 292 HA CYS 45 HA CYS 45 5.877 3.605 -4.419 293 1HB CYS 45 2HB CYS 45 6.323 0.903 -4.715 294 2HB CYS 45 1HB CYS 45 6.052 1.056 -2.991 295 H ARG 46 H ARG 46 8.761 3.644 -2.921 296 HA ARG 46 HA ARG 46 7.800 4.999 -0.611 297 1HB ARG 46 2HB ARG 46 7.426 2.294 -0.319 298 2HB ARG 46 1HB ARG 46 9.010 2.523 0.426 299 1HG ARG 46 2HG ARG 46 7.304 2.830 2.128 300 2HG ARG 46 1HG ARG 46 8.039 4.396 1.781 301 1HD ARG 46 2HD ARG 46 6.097 4.603 0.023 302 2HD ARG 46 1HD ARG 46 5.321 3.371 1.014 303 HE ARG 46 HE ARG 46 6.098 5.261 2.864 304 1HH1 ARG 46 1HH2 ARG 46 3.244 4.703 1.758 305 2HH1 ARG 46 2HH2 ARG 46 2.751 6.317 1.369 306 1HH2 ARG 46 1HH1 ARG 46 5.956 7.626 1.557 307 2HH2 ARG 46 2HH1 ARG 46 4.285 7.972 1.254 308 H ILE 47 H ILE 47 9.829 4.549 1.208 309 HA ILE 47 HA ILE 47 12.385 4.611 -0.268 310 HB ILE 47 HB ILE 47 11.662 6.929 -0.430 311 1HG1 ILE 47 2HG1 ILE 47 13.531 7.103 1.889 312 2HG1 ILE 47 1HG1 ILE 47 14.063 6.147 0.505 313 1HG2 ILE 47 1HG2 ILE 47 11.551 7.125 2.570 314 2HG2 ILE 47 2HG2 ILE 47 10.134 6.570 1.678 315 3HG2 ILE 47 3HG2 ILE 47 10.806 8.169 1.358 316 1HD1 ILE 47 1HD1 ILE 47 13.802 9.049 0.764 317 2HD1 ILE 47 2HD1 ILE 47 12.983 8.422 -0.666 318 3HD1 ILE 47 3HD1 ILE 47 14.701 8.106 -0.425 319 H ALA 48 H ALA 48 13.071 2.843 1.005 320 HA ALA 48 HA ALA 48 12.738 2.587 3.799 321 1HB ALA 48 1HB ALA 48 14.523 0.939 3.682 322 2HB ALA 48 2HB ALA 48 15.094 1.611 2.152 323 3HB ALA 48 3HB ALA 48 13.538 0.798 2.231 324 H ARG 49 H ARG 49 15.231 2.644 5.164 325 HA ARG 49 HA ARG 49 16.094 5.475 4.684 326 1HB ARG 49 2HB ARG 49 16.096 4.414 7.432 327 2HB ARG 49 1HB ARG 49 15.833 6.060 6.877 328 1HG ARG 49 2HG ARG 49 13.711 4.668 5.750 329 2HG ARG 49 1HG ARG 49 13.884 3.919 7.338 330 1HD ARG 49 2HD ARG 49 13.422 6.835 6.695 331 2HD ARG 49 1HD ARG 49 12.415 5.763 7.668 332 HE ARG 49 HE ARG 49 14.320 5.765 9.342 333 1HH1 ARG 49 1HH1 ARG 49 15.058 7.793 6.760 334 2HH1 ARG 49 2HH1 ARG 49 15.475 9.165 7.732 335 1HH2 ARG 49 1HH2 ARG 49 14.405 7.720 10.698 336 2HH2 ARG 49 2HH2 ARG 49 15.105 9.124 9.962 337 H GLY 50 H GLY 50 17.218 2.333 5.624 338 1HA GLY 50 2HA GLY 50 19.974 3.394 5.774 339 2HA GLY 50 1HA GLY 50 19.443 2.016 6.725 340 H ASP 51 H ASP 51 19.520 -0.029 5.774 341 HA ASP 51 HA ASP 51 20.304 -0.178 2.912 342 1HB ASP 51 2HB ASP 51 21.805 -0.988 5.206 343 2HB ASP 51 1HB ASP 51 21.370 -2.419 4.273 344 H TRP 52 H TRP 52 19.109 -1.634 1.720 345 HA TRP 52 HA TRP 52 17.970 -4.082 2.496 346 1HB TRP 52 2HB TRP 52 15.490 -2.953 2.749 347 2HB TRP 52 1HB TRP 52 16.502 -3.365 4.122 348 HD1 TRP 52 HD1 TRP 52 15.985 -1.461 5.714 349 HE1 TRP 52 HE1 TRP 52 16.315 1.070 5.655 350 HE3 TRP 52 HE3 TRP 52 17.142 -0.802 0.767 351 HZ2 TRP 52 HZ2 TRP 52 17.026 3.119 3.728 352 HZ3 TRP 52 HZ3 TRP 52 17.647 1.430 -0.122 353 HH2 TRP 52 HH2 TRP 52 17.579 3.404 1.373 354 H ASN 53 H ASN 53 15.364 -3.826 1.317 355 HA ASN 53 HA ASN 53 16.099 -3.102 -1.481 356 1HB ASN 53 2HB ASN 53 14.703 -5.349 -0.248 357 2HB ASN 53 1HB ASN 53 13.765 -4.600 -1.537 358 1HD2 ASN 53 1HD2 ASN 53 14.772 -4.514 -3.722 359 2HD2 ASN 53 2HD2 ASN 53 16.034 -5.576 -4.123 360 H ASP 54 H ASP 54 15.098 -1.214 -2.137 361 HA ASP 54 HA ASP 54 13.098 0.136 -0.615 362 1HB ASP 54 2HB ASP 54 14.460 0.507 -3.141 363 2HB ASP 54 1HB ASP 54 12.761 0.960 -3.275 364 H ASP 55 H ASP 55 10.842 0.649 -1.598 365 HA ASP 55 HA ASP 55 9.534 -1.935 -2.147 366 1HB ASP 55 2HB ASP 55 8.745 0.663 -1.066 367 2HB ASP 55 1HB ASP 55 7.548 -0.022 -2.163 368 H ARG 56 H ARG 56 10.930 -1.561 -4.346 369 HA ARG 56 HA ARG 56 10.169 0.174 -6.347 370 1HB ARG 56 2HB ARG 56 11.769 -2.021 -6.253 371 2HB ARG 56 1HB ARG 56 10.441 -2.631 -7.235 372 1HG ARG 56 2HG ARG 56 12.033 -1.655 -8.743 373 2HG ARG 56 1HG ARG 56 10.663 -0.546 -8.652 374 1HD ARG 56 2HD ARG 56 13.103 0.398 -8.425 375 2HD ARG 56 1HD ARG 56 11.834 1.008 -7.361 376 HE ARG 56 HE ARG 56 12.820 -0.213 -5.543 377 1HH1 ARG 56 1HH1 ARG 56 13.862 -1.763 -8.340 378 2HH1 ARG 56 2HH1 ARG 56 15.474 -2.064 -7.782 379 1HH2 ARG 56 1HH2 ARG 56 15.121 -0.152 -4.910 380 2HH2 ARG 56 2HH2 ARG 56 16.186 -1.152 -5.840 381 H CYS 57 H CYS 57 8.017 0.693 -6.671 382 HA CYS 57 HA CYS 57 5.762 -0.918 -6.353 383 1HB CYS 57 2HB CYS 57 5.891 0.832 -8.798 384 2HB CYS 57 1HB CYS 57 4.552 0.586 -7.685 385 H THR 58 H THR 58 4.934 -2.656 -7.449 386 HA THR 58 HA THR 58 6.594 -3.811 -9.588 387 HB THR 58 HB THR 58 5.523 -5.824 -9.135 388 HG1 THR 58 HG1 THR 58 3.399 -5.931 -8.431 389 1HG2 THR 58 1HG2 THR 58 5.437 -6.065 -6.780 390 2HG2 THR 58 2HG2 THR 58 4.871 -4.411 -6.548 391 3HG2 THR 58 3HG2 THR 58 6.537 -4.713 -7.041 392 H GLY 59 H GLY 59 5.460 -4.695 -11.565 393 1HA GLY 59 1HA GLY 59 3.978 -2.580 -12.865 394 2HA GLY 59 2HA GLY 59 4.323 -4.164 -13.554 395 H GLN 60 H GLN 60 2.988 -4.897 -10.674 396 HA GLN 60 HA GLN 60 0.190 -4.740 -11.718 397 1HB GLN 60 2HB GLN 60 1.678 -7.100 -10.566 398 2HB GLN 60 1HB GLN 60 -0.083 -7.020 -10.523 399 1HG GLN 60 2HG GLN 60 0.729 -6.279 -13.148 400 2HG GLN 60 1HG GLN 60 1.609 -7.747 -12.722 401 1HE2 GLN 60 1HE2 GLN 60 -1.746 -6.429 -12.454 402 2HE2 GLN 60 2HE2 GLN 60 -2.508 -7.908 -12.790 403 H SER 61 H SER 61 1.974 -3.358 -9.551 404 HA SER 61 HA SER 61 0.049 -3.771 -7.297 405 1HB SER 61 2HB SER 61 2.248 -4.447 -6.584 406 2HB SER 61 1HB SER 61 2.978 -2.998 -7.270 407 HG SER 61 HG SER 61 2.635 -2.848 -4.997 408 H ALA 62 H ALA 62 -0.693 -1.867 -6.213 409 HA ALA 62 HA ALA 62 -0.163 0.680 -7.703 410 1HB ALA 62 1HB ALA 62 -2.598 1.145 -6.652 411 2HB ALA 62 2HB ALA 62 -2.705 -0.606 -6.838 412 3HB ALA 62 3HB ALA 62 -2.375 0.410 -8.240 413 H ASP 63 H ASP 63 -0.636 -0.882 -4.577 414 HA ASP 63 HA ASP 63 -0.223 1.738 -3.225 415 1HB ASP 63 2HB ASP 63 -0.619 -0.906 -1.874 416 2HB ASP 63 1HB ASP 63 -0.844 0.706 -1.207 417 H CYS 64 H CYS 64 1.191 1.006 -1.001 418 HA CYS 64 HA CYS 64 3.682 -0.211 -2.101 419 1HB CYS 64 2HB CYS 64 3.611 2.252 -0.339 420 2HB CYS 64 1HB CYS 64 5.009 1.569 -1.186 421 HA PRO 65 HA PRO 65 3.391 -2.487 1.643 422 1HB PRO 65 2HB PRO 65 5.672 -3.933 1.171 423 2HB PRO 65 1HB PRO 65 4.119 -4.303 0.422 424 1HG PRO 65 2HG PRO 65 6.553 -3.071 -0.768 425 2HG PRO 65 1HG PRO 65 5.243 -3.960 -1.561 426 1HD PRO 65 2HD PRO 65 5.576 -1.151 -1.530 427 2HD PRO 65 1HD PRO 65 4.128 -2.035 -2.057 428 H ARG 66 H ARG 66 5.804 -3.347 2.933 429 HA ARG 66 HA ARG 66 7.538 -1.059 3.356 430 1HB ARG 66 2HB ARG 66 6.913 -0.838 5.797 431 2HB ARG 66 1HB ARG 66 5.685 -0.252 4.675 432 1HG ARG 66 2HG ARG 66 4.754 -2.697 4.828 433 2HG ARG 66 1HG ARG 66 5.692 -2.768 6.320 434 1HD ARG 66 2HD ARG 66 3.801 -0.484 5.765 435 2HD ARG 66 1HD ARG 66 3.239 -1.983 6.505 436 HE ARG 66 HE ARG 66 4.876 -1.535 8.354 437 1HH1 ARG 66 1HH2 ARG 66 2.728 0.621 8.262 438 2HH1 ARG 66 2HH2 ARG 66 3.684 2.056 8.427 439 1HH2 ARG 66 1HH1 ARG 66 6.675 0.471 7.669 440 2HH2 ARG 66 2HH1 ARG 66 5.920 1.971 8.093 441 H TYR 67 H TYR 67 9.489 -1.971 3.759 442 HA TYR 67 HA TYR 67 9.552 -4.670 4.953 443 1HB TYR 67 2HB TYR 67 11.325 -3.168 3.113 444 2HB TYR 67 1HB TYR 67 12.069 -4.366 4.166 445 HD1 TYR 67 HD1 TYR 67 9.960 -6.406 4.379 446 HD2 TYR 67 HD2 TYR 67 11.276 -4.147 0.970 447 HE1 TYR 67 HE1 TYR 67 9.162 -8.209 2.875 448 HE2 TYR 67 HE2 TYR 67 10.479 -5.951 -0.534 449 HH TYR 67 HH TYR 67 9.640 -8.009 -0.648 450 H HIS 68 HN HIS 68 10.897 -1.418 5.277 451 HA HIS 68 HA HIS 68 11.619 -2.100 8.090 452 1HB HIS 68 2HB HIS 68 13.645 -2.103 6.546 453 2HB HIS 68 1HB HIS 68 13.354 -0.383 6.298 454 HD1 HIS 68 HD1 HIS 68 12.370 -1.195 9.659 455 HD2 HIS 68 HD2 HIS 68 16.008 -0.391 7.791 456 HE1 HIS 68 HE1 HIS 68 14.000 -0.586 11.500 Start of MODEL 2 1 1H GLY 1 1HT GLY 1 -14.087 -15.179 -9.052 2 2H GLY 1 2HT GLY 1 -15.344 -14.134 -9.515 3 3H GLY 1 3HT GLY 1 -14.468 -13.834 -8.092 4 1HA GLY 1 1HA GLY 1 -12.986 -13.969 -10.613 5 2HA GLY 1 2HA GLY 1 -13.955 -12.530 -10.290 6 H LYS 2 H LYS 2 -13.304 -11.124 -8.624 7 HA LYS 2 HA LYS 2 -10.814 -11.874 -7.160 8 1HB LYS 2 2HB LYS 2 -10.046 -9.489 -7.503 9 2HB LYS 2 1HB LYS 2 -10.076 -10.464 -8.973 10 1HG LYS 2 2HG LYS 2 -12.649 -9.195 -8.500 11 2HG LYS 2 1HG LYS 2 -11.352 -8.002 -8.592 12 1HD LYS 2 2HD LYS 2 -10.584 -9.043 -10.720 13 2HD LYS 2 1HD LYS 2 -11.951 -10.155 -10.642 14 1HE LYS 2 2HE LYS 2 -12.575 -8.317 -12.087 15 2HE LYS 2 1HE LYS 2 -13.482 -8.157 -10.582 16 1HZ LYS 2 1HZ LYS 2 -12.459 -6.061 -11.353 17 2HZ LYS 2 2HZ LYS 2 -10.925 -6.759 -11.146 18 3HZ LYS 2 3HZ LYS 2 -11.942 -6.527 -9.805 19 H GLU 3 H GLU 3 -10.522 -9.510 -5.708 20 HA GLU 3 HA GLU 3 -13.107 -9.352 -4.207 21 1HB GLU 3 2HB GLU 3 -11.897 -9.298 -2.146 22 2HB GLU 3 1HB GLU 3 -11.207 -10.630 -3.072 23 1HG GLU 3 2HG GLU 3 -9.664 -8.559 -3.945 24 2HG GLU 3 1HG GLU 3 -9.989 -8.051 -2.287 25 H CYS 4 H CYS 4 -11.989 -7.378 -2.395 26 HA CYS 4 HA CYS 4 -12.749 -5.015 -3.744 27 1HB CYS 4 2HB CYS 4 -10.963 -5.349 -1.319 28 2HB CYS 4 1HB CYS 4 -11.637 -3.810 -1.852 29 H ASP 5 H ASP 5 -11.737 -4.383 -5.567 30 HA ASP 5 HA ASP 5 -8.920 -4.762 -6.074 31 1HB ASP 5 2HB ASP 5 -10.738 -4.591 -7.829 32 2HB ASP 5 1HB ASP 5 -10.811 -2.862 -7.486 33 H CYS 6 H CYS 6 -10.645 -2.497 -4.229 34 HA CYS 6 HA CYS 6 -8.235 -0.742 -4.151 35 1HB CYS 6 2HB CYS 6 -9.529 1.247 -4.259 36 2HB CYS 6 1HB CYS 6 -10.188 0.220 -5.531 37 H SER 7 H SER 7 -8.388 0.728 -2.118 38 HA SER 7 HA SER 7 -9.529 -0.902 0.115 39 1HB SER 7 2HB SER 7 -7.723 -0.071 1.512 40 2HB SER 7 1HB SER 7 -7.023 -0.743 0.042 41 HG SER 7 HG SER 7 -7.298 1.578 -0.716 42 H SER 8 H SER 8 -10.604 1.460 -1.569 43 HA SER 8 HA SER 8 -11.570 2.994 0.781 44 1HB SER 8 2HB SER 8 -11.283 4.913 -1.240 45 2HB SER 8 1HB SER 8 -10.307 4.776 0.220 46 HG SER 8 HG SER 8 -8.782 3.713 -0.887 47 HA PRO 9 HA PRO 9 -15.299 2.348 -1.558 48 1HB PRO 9 2HB PRO 9 -16.961 3.668 0.190 49 2HB PRO 9 1HB PRO 9 -16.359 2.025 0.464 50 1HG PRO 9 2HG PRO 9 -15.529 4.568 1.776 51 2HG PRO 9 1HG PRO 9 -15.435 2.908 2.387 52 1HD PRO 9 2HD PRO 9 -13.283 4.417 1.323 53 2HD PRO 9 1HD PRO 9 -13.278 2.671 1.655 54 H GLU 10 H GLU 10 -14.299 5.533 -0.364 55 HA GLU 10 HA GLU 10 -16.090 6.950 -2.213 56 1HB GLU 10 2HB GLU 10 -15.418 7.819 0.079 57 2HB GLU 10 1HB GLU 10 -13.808 8.100 -0.585 58 1HG GLU 10 2HG GLU 10 -15.325 9.288 -2.497 59 2HG GLU 10 1HG GLU 10 -16.338 9.565 -1.079 60 H ASN 11 H ASN 11 -13.574 5.141 -2.907 61 HA ASN 11 HA ASN 11 -11.938 7.012 -4.423 62 1HB ASN 11 2HB ASN 11 -10.709 5.188 -3.582 63 2HB ASN 11 1HB ASN 11 -11.956 4.028 -4.034 64 1HD2 ASN 11 1HD2 ASN 11 -10.752 2.707 -5.473 65 2HD2 ASN 11 2HD2 ASN 11 -10.035 3.287 -6.895 66 HA PRO 12 HA PRO 12 -14.607 6.701 -7.987 67 1HB PRO 12 2HB PRO 12 -13.078 8.315 -9.604 68 2HB PRO 12 1HB PRO 12 -14.167 8.939 -8.352 69 1HG PRO 12 2HG PRO 12 -11.190 8.764 -8.333 70 2HG PRO 12 1HG PRO 12 -12.253 9.887 -7.471 71 1HD PRO 12 2HD PRO 12 -10.982 7.620 -6.351 72 2HD PRO 12 1HD PRO 12 -12.297 8.551 -5.608 73 H CYS 13 H CYS 13 -13.770 4.364 -8.067 74 HA CYS 13 HA CYS 13 -12.728 3.732 -10.641 75 1HB CYS 13 2HB CYS 13 -10.723 4.677 -9.080 76 2HB CYS 13 1HB CYS 13 -10.644 2.954 -8.735 77 H CYS 14 H CYS 14 -13.377 2.753 -7.339 78 HA CYS 14 HA CYS 14 -13.777 -0.019 -8.382 79 1HB CYS 14 2HB CYS 14 -13.224 -0.824 -6.102 80 2HB CYS 14 1HB CYS 14 -11.879 0.045 -6.841 81 H ASP 15 H ASP 15 -15.958 -0.152 -8.639 82 HA ASP 15 HA ASP 15 -18.036 1.207 -7.491 83 1HB ASP 15 2HB ASP 15 -17.934 -0.943 -9.073 84 2HB ASP 15 1HB ASP 15 -18.367 -1.734 -7.565 85 H ALA 16 H ALA 16 -18.835 1.475 -5.459 86 HA ALA 16 HA ALA 16 -17.525 0.232 -3.207 87 1HB ALA 16 1HB ALA 16 -18.683 2.561 -3.369 88 2HB ALA 16 2HB ALA 16 -18.834 1.647 -1.869 89 3HB ALA 16 3HB ALA 16 -20.163 1.666 -3.028 90 H ALA 17 H ALA 17 -20.442 -0.416 -5.038 91 HA ALA 17 HA ALA 17 -21.813 -2.047 -3.154 92 1HB ALA 17 1HB ALA 17 -21.809 -1.748 -6.116 93 2HB ALA 17 2HB ALA 17 -23.159 -1.694 -4.982 94 3HB ALA 17 3HB ALA 17 -22.484 -3.247 -5.475 95 H THR 18 H THR 18 -18.927 -2.593 -4.980 96 HA THR 18 HA THR 18 -18.694 -5.274 -3.735 97 HB THR 18 HB THR 18 -19.500 -5.966 -5.847 98 HG1 THR 18 HG1 THR 18 -17.598 -6.734 -6.900 99 1HG2 THR 18 1HG2 THR 18 -19.232 -3.558 -6.762 100 2HG2 THR 18 2HG2 THR 18 -19.072 -4.893 -7.903 101 3HG2 THR 18 3HG2 THR 18 -17.632 -4.087 -7.284 102 H CYS 19 H CYS 19 -17.468 -2.447 -3.694 103 HA CYS 19 HA CYS 19 -15.324 -1.447 -3.742 104 1HB CYS 19 2HB CYS 19 -13.785 -2.629 -2.217 105 2HB CYS 19 1HB CYS 19 -15.426 -2.611 -1.576 106 H LYS 20 H LYS 20 -15.878 -3.129 -6.152 107 HA LYS 20 HA LYS 20 -13.062 -3.956 -6.737 108 1HB LYS 20 2HB LYS 20 -15.698 -4.974 -7.804 109 2HB LYS 20 1HB LYS 20 -14.168 -5.287 -8.625 110 1HG LYS 20 2HG LYS 20 -13.594 -5.930 -5.996 111 2HG LYS 20 1HG LYS 20 -15.251 -6.503 -6.184 112 1HD LYS 20 2HD LYS 20 -13.663 -7.147 -8.527 113 2HD LYS 20 1HD LYS 20 -12.928 -7.807 -7.067 114 1HE LYS 20 2HE LYS 20 -14.412 -9.503 -7.331 115 2HE LYS 20 1HE LYS 20 -15.583 -8.371 -6.655 116 1HZ LYS 20 1HZ LYS 20 -16.332 -9.341 -8.756 117 2HZ LYS 20 2HZ LYS 20 -14.980 -8.684 -9.547 118 3HZ LYS 20 3HZ LYS 20 -16.156 -7.658 -8.872 119 H LEU 21 H LEU 21 -12.354 -3.516 -9.002 120 HA LEU 21 HA LEU 21 -12.801 -0.812 -9.745 121 1HB LEU 21 2HB LEU 21 -11.603 -3.180 -11.145 122 2HB LEU 21 1HB LEU 21 -11.881 -1.691 -12.046 123 HG LEU 21 HG LEU 21 -10.376 -1.772 -9.424 124 1HD1 LEU 21 1HD1 LEU 21 -8.700 -1.233 -11.670 125 2HD1 LEU 21 2HD1 LEU 21 -9.557 -2.744 -11.970 126 3HD1 LEU 21 3HD1 LEU 21 -8.579 -2.557 -10.514 127 1HD2 LEU 21 1HD2 LEU 21 -10.578 0.457 -9.625 128 2HD2 LEU 21 2HD2 LEU 21 -11.306 0.300 -11.223 129 3HD2 LEU 21 3HD2 LEU 21 -9.551 0.347 -11.054 130 H ARG 22 H ARG 22 -14.501 0.105 -10.750 131 HA ARG 22 HA ARG 22 -16.551 -1.638 -11.957 132 1HB ARG 22 2HB ARG 22 -17.365 0.118 -10.490 133 2HB ARG 22 1HB ARG 22 -16.538 1.347 -11.438 134 1HG ARG 22 2HG ARG 22 -18.161 -0.267 -13.182 135 2HG ARG 22 1HG ARG 22 -19.146 0.338 -11.849 136 1HD ARG 22 2HD ARG 22 -17.403 2.436 -12.764 137 2HD ARG 22 1HD ARG 22 -18.280 1.767 -14.140 138 HE ARG 22 HE ARG 22 -20.387 2.204 -12.801 139 1HH1 ARG 22 1HH1 ARG 22 -17.818 4.336 -13.089 140 2HH1 ARG 22 2HH1 ARG 22 -18.383 5.459 -11.898 141 1HH2 ARG 22 1HH2 ARG 22 -20.965 3.415 -10.814 142 2HH2 ARG 22 2HH2 ARG 22 -20.166 4.938 -10.610 143 HA PRO 23 HA PRO 23 -15.310 1.001 -15.729 144 1HB PRO 23 2HB PRO 23 -13.033 2.523 -15.547 145 2HB PRO 23 1HB PRO 23 -14.642 3.124 -15.115 146 1HG PRO 23 2HG PRO 23 -12.389 2.365 -13.329 147 2HG PRO 23 1HG PRO 23 -13.742 3.465 -13.021 148 1HD PRO 23 2HD PRO 23 -13.492 0.780 -12.104 149 2HD PRO 23 1HD PRO 23 -14.930 1.813 -11.986 150 H GLY 24 H GLY 24 -12.932 1.240 -17.099 151 1HA GLY 24 2HA GLY 24 -11.925 -1.530 -17.038 152 2HA GLY 24 1HA GLY 24 -11.560 -0.324 -18.272 153 H ALA 25 H ALA 25 -11.268 0.876 -15.100 154 HA ALA 25 HA ALA 25 -8.507 1.471 -15.342 155 1HB ALA 25 1HB ALA 25 -9.872 2.721 -13.789 156 2HB ALA 25 2HB ALA 25 -8.636 1.881 -12.852 157 3HB ALA 25 3HB ALA 25 -10.284 1.256 -12.897 158 H GLN 26 H GLN 26 -6.684 0.303 -14.847 159 HA GLN 26 HA GLN 26 -6.926 -2.535 -14.373 160 1HB GLN 26 2HB GLN 26 -4.755 -0.602 -14.821 161 2HB GLN 26 1HB GLN 26 -4.306 -2.010 -13.863 162 1HG GLN 26 2HG GLN 26 -3.961 -2.891 -15.963 163 2HG GLN 26 1HG GLN 26 -5.678 -3.260 -15.793 164 1HE2 GLN 26 1HE2 GLN 26 -7.096 -2.309 -17.300 165 2HE2 GLN 26 2HE2 GLN 26 -6.638 -1.122 -18.423 166 H CYS 27 H CYS 27 -6.838 0.194 -12.337 167 HA CYS 27 HA CYS 27 -7.079 -1.454 -9.980 168 1HB CYS 27 2HB CYS 27 -5.102 -0.630 -8.795 169 2HB CYS 27 1HB CYS 27 -4.603 -1.446 -10.277 170 H GLY 28 H GLY 28 -8.063 -0.302 -8.321 171 1HA GLY 28 2HA GLY 28 -8.982 2.379 -9.110 172 2HA GLY 28 1HA GLY 28 -9.638 1.419 -7.787 173 H GLU 29 H GLU 29 -6.880 0.891 -6.724 174 HA GLU 29 HA GLU 29 -5.697 3.454 -6.120 175 1HB GLU 29 2HB GLU 29 -7.941 3.436 -4.852 176 2HB GLU 29 1HB GLU 29 -7.195 2.226 -3.810 177 1HG GLU 29 2HG GLU 29 -5.279 3.836 -3.465 178 2HG GLU 29 1HG GLU 29 -6.232 5.051 -4.315 179 H GLY 30 H GLY 30 -3.713 3.174 -5.169 180 1HA GLY 30 2HA GLY 30 -2.957 0.976 -3.517 181 2HA GLY 30 1HA GLY 30 -2.461 0.644 -5.177 182 H LEU 31 H LEU 31 -0.379 0.891 -3.499 183 HA LEU 31 HA LEU 31 0.502 3.599 -3.059 184 1HB LEU 31 2HB LEU 31 1.496 0.969 -2.541 185 2HB LEU 31 1HB LEU 31 2.765 1.931 -3.284 186 HG LEU 31 HG LEU 31 1.164 2.617 -0.810 187 1HD1 LEU 31 1HD1 LEU 31 4.027 2.841 -0.609 188 2HD1 LEU 31 2HD1 LEU 31 3.605 1.246 -1.234 189 3HD1 LEU 31 3HD1 LEU 31 2.938 1.798 0.303 190 1HD2 LEU 31 1HD2 LEU 31 2.950 4.596 -0.934 191 2HD2 LEU 31 2HD2 LEU 31 1.387 4.727 -1.740 192 3HD2 LEU 31 3HD2 LEU 31 2.821 4.281 -2.665 193 H CYS 32 H CYS 32 1.347 1.165 -5.527 194 HA CYS 32 HA CYS 32 2.540 3.392 -7.111 195 1HB CYS 32 2HB CYS 32 3.227 0.526 -6.761 196 2HB CYS 32 1HB CYS 32 3.442 1.193 -8.377 197 H CYS 33 H CYS 33 0.114 3.765 -7.588 198 HA CYS 33 HA CYS 33 -0.461 2.377 -10.151 199 1HB CYS 33 2HB CYS 33 -1.948 1.943 -7.752 200 2HB CYS 33 1HB CYS 33 -2.967 2.866 -8.858 201 H GLU 34 H GLU 34 -0.461 4.014 -11.592 202 HA GLU 34 HA GLU 34 -0.751 6.763 -10.965 203 1HB GLU 34 2HB GLU 34 0.096 5.483 -13.135 204 2HB GLU 34 1HB GLU 34 -1.553 5.805 -13.655 205 1HG GLU 34 2HG GLU 34 -0.813 7.853 -14.261 206 2HG GLU 34 1HG GLU 34 -0.780 8.215 -12.536 207 H GLN 35 H GLN 35 -2.648 7.808 -12.739 208 HA GLN 35 HA GLN 35 -5.010 7.772 -11.177 209 1HB GLN 35 2HB GLN 35 -4.103 9.032 -13.590 210 2HB GLN 35 1HB GLN 35 -5.723 8.394 -13.863 211 1HG GLN 35 2HG GLN 35 -5.607 9.598 -11.249 212 2HG GLN 35 1HG GLN 35 -5.015 10.748 -12.450 213 1HE2 GLN 35 1HE2 GLN 35 -7.664 8.277 -12.375 214 2HE2 GLN 35 2HE2 GLN 35 -8.847 9.324 -12.995 215 H CYS 36 H CYS 36 -5.586 5.572 -10.815 216 HA CYS 36 HA CYS 36 -6.669 3.552 -11.280 217 1HB CYS 36 2HB CYS 36 -7.848 5.395 -13.365 218 2HB CYS 36 1HB CYS 36 -8.366 3.721 -13.192 219 H LYS 37 H LYS 37 -4.087 3.544 -12.190 220 HA LYS 37 HA LYS 37 -4.294 1.732 -14.498 221 1HB LYS 37 2HB LYS 37 -3.638 4.456 -14.910 222 2HB LYS 37 1HB LYS 37 -2.126 3.557 -15.051 223 1HG LYS 37 2HG LYS 37 -2.960 2.197 -16.796 224 2HG LYS 37 1HG LYS 37 -4.635 2.624 -16.444 225 1HD LYS 37 2HD LYS 37 -4.057 5.009 -17.076 226 2HD LYS 37 1HD LYS 37 -2.504 4.403 -17.653 227 1HE LYS 37 2HE LYS 37 -4.314 2.664 -18.822 228 2HE LYS 37 1HE LYS 37 -5.154 4.214 -18.892 229 1HZ LYS 37 1HZ LYS 37 -3.907 4.385 -20.759 230 2HZ LYS 37 2HZ LYS 37 -2.664 3.385 -20.176 231 3HZ LYS 37 3HZ LYS 37 -2.773 5.000 -19.659 232 H PHE 38 H PHE 38 -2.471 0.327 -14.619 233 HA PHE 38 HA PHE 38 -1.072 -0.098 -12.148 234 1HB PHE 38 2HB PHE 38 -0.937 -1.258 -14.900 235 2HB PHE 38 1HB PHE 38 0.423 -1.543 -13.816 236 HD1 PHE 38 HD1 PHE 38 -2.351 -3.119 -14.938 237 HD2 PHE 38 HD2 PHE 38 -0.651 -1.848 -11.204 238 HE1 PHE 38 HE1 PHE 38 -3.643 -4.873 -13.751 239 HE2 PHE 38 HE2 PHE 38 -1.942 -3.600 -10.017 240 HZ PHE 38 HZ PHE 38 -3.438 -5.114 -11.290 241 H SER 39 H SER 39 0.646 1.035 -11.400 242 HA SER 39 HA SER 39 2.005 3.045 -12.893 243 1HB SER 39 2HB SER 39 3.528 3.166 -11.039 244 2HB SER 39 1HB SER 39 1.959 2.758 -10.351 245 HG SER 39 HG SER 39 4.175 1.075 -10.869 246 H ARG 40 H ARG 40 4.480 2.875 -13.338 247 HA ARG 40 HA ARG 40 4.903 0.363 -14.812 248 1HB ARG 40 2HB ARG 40 5.610 3.108 -15.242 249 2HB ARG 40 1HB ARG 40 7.074 2.126 -15.222 250 1HG ARG 40 2HG ARG 40 6.595 1.424 -17.304 251 2HG ARG 40 1HG ARG 40 5.131 0.664 -16.680 252 1HD ARG 40 2HD ARG 40 4.272 3.214 -16.783 253 2HD ARG 40 1HD ARG 40 5.462 3.268 -18.084 254 HE ARG 40 HE ARG 40 2.922 2.182 -18.414 255 1HH1 ARG 40 1HH2 ARG 40 5.706 2.069 -20.046 256 2HH1 ARG 40 2HH2 ARG 40 5.596 0.431 -20.597 257 1HH2 ARG 40 1HH1 ARG 40 2.964 -0.379 -18.489 258 2HH2 ARG 40 2HH1 ARG 40 4.042 -0.956 -19.716 259 H ALA 41 H ALA 41 6.595 -1.053 -14.302 260 HA ALA 41 HA ALA 41 7.522 -1.295 -11.687 261 1HB ALA 41 1HB ALA 41 8.069 -3.177 -12.909 262 2HB ALA 41 2HB ALA 41 9.633 -2.365 -12.968 263 3HB ALA 41 3HB ALA 41 8.525 -2.244 -14.335 264 H GLY 42 H GLY 42 9.894 -1.015 -10.955 265 1HA GLY 42 2HA GLY 42 11.714 0.419 -10.570 266 2HA GLY 42 1HA GLY 42 11.411 1.128 -12.152 267 H LYS 43 H LYS 43 8.881 0.880 -9.725 268 HA LYS 43 HA LYS 43 8.965 3.846 -9.551 269 1HB LYS 43 2HB LYS 43 6.864 3.062 -10.480 270 2HB LYS 43 1HB LYS 43 6.649 1.950 -9.125 271 1HG LYS 43 2HG LYS 43 5.317 3.940 -8.701 272 2HG LYS 43 1HG LYS 43 6.671 3.911 -7.575 273 1HD LYS 43 2HD LYS 43 6.755 6.116 -8.335 274 2HD LYS 43 1HD LYS 43 7.883 5.327 -9.436 275 1HE LYS 43 2HE LYS 43 6.367 5.347 -11.216 276 2HE LYS 43 1HE LYS 43 4.969 5.489 -10.152 277 1HZ LYS 43 1HZ LYS 43 6.909 7.654 -10.045 278 2HZ LYS 43 2HZ LYS 43 5.212 7.707 -9.967 279 3HZ LYS 43 3HZ LYS 43 5.992 7.542 -11.467 280 H ILE 44 H ILE 44 9.218 4.800 -7.584 281 HA ILE 44 HA ILE 44 9.992 3.081 -5.368 282 HB ILE 44 HB ILE 44 11.251 5.087 -5.740 283 1HG1 ILE 44 2HG1 ILE 44 10.817 6.329 -3.555 284 2HG1 ILE 44 1HG1 ILE 44 9.446 5.244 -3.314 285 1HG2 ILE 44 1HG2 ILE 44 10.125 6.750 -6.761 286 2HG2 ILE 44 2HG2 ILE 44 9.596 7.225 -5.146 287 3HG2 ILE 44 3HG2 ILE 44 8.573 6.187 -6.141 288 1HD1 ILE 44 1HD1 ILE 44 11.819 4.613 -2.341 289 2HD1 ILE 44 2HD1 ILE 44 12.122 4.076 -3.993 290 3HD1 ILE 44 3HD1 ILE 44 10.799 3.370 -3.064 291 H CYS 45 H CYS 45 8.218 2.050 -4.436 292 HA CYS 45 HA CYS 45 5.716 3.487 -3.871 293 1HB CYS 45 2HB CYS 45 5.239 1.345 -2.508 294 2HB CYS 45 1HB CYS 45 5.351 1.190 -4.253 295 H ARG 46 H ARG 46 8.713 3.620 -2.521 296 HA ARG 46 HA ARG 46 7.794 4.946 -0.141 297 1HB ARG 46 2HB ARG 46 8.353 2.046 0.010 298 2HB ARG 46 1HB ARG 46 9.146 3.025 1.245 299 1HG ARG 46 2HG ARG 46 6.603 4.093 1.183 300 2HG ARG 46 1HG ARG 46 6.303 2.375 0.920 301 1HD ARG 46 2HD ARG 46 6.816 1.874 3.060 302 2HD ARG 46 1HD ARG 46 8.314 2.802 2.981 303 HE ARG 46 HE ARG 46 5.678 3.852 3.842 304 1HH1 ARG 46 1HH2 ARG 46 8.219 3.921 5.487 305 2HH1 ARG 46 2HH2 ARG 46 8.698 5.577 5.311 306 1HH2 ARG 46 1HH1 ARG 46 6.635 6.160 2.586 307 2HH2 ARG 46 2HH1 ARG 46 7.801 6.845 3.669 308 H ILE 47 H ILE 47 9.340 6.513 -0.162 309 HA ILE 47 HA ILE 47 12.053 5.964 -1.100 310 HB ILE 47 HB ILE 47 10.950 8.139 -1.526 311 1HG1 ILE 47 2HG1 ILE 47 12.857 9.567 -0.487 312 2HG1 ILE 47 1HG1 ILE 47 13.466 8.033 0.136 313 1HG2 ILE 47 1HG2 ILE 47 11.355 9.265 1.113 314 2HG2 ILE 47 2HG2 ILE 47 10.237 7.903 1.191 315 3HG2 ILE 47 3HG2 ILE 47 9.898 9.264 0.120 316 1HD1 ILE 47 1HD1 ILE 47 14.222 7.397 -1.894 317 2HD1 ILE 47 2HD1 ILE 47 13.963 9.068 -2.397 318 3HD1 ILE 47 3HD1 ILE 47 12.712 7.858 -2.681 319 H ALA 48 H ALA 48 13.329 4.779 0.268 320 HA ALA 48 HA ALA 48 13.046 4.619 3.081 321 1HB ALA 48 1HB ALA 48 14.703 3.453 1.169 322 2HB ALA 48 2HB ALA 48 14.741 3.137 2.904 323 3HB ALA 48 3HB ALA 48 15.818 4.347 2.204 324 H ARG 49 H ARG 49 13.542 6.045 4.655 325 HA ARG 49 HA ARG 49 15.448 8.259 4.027 326 1HB ARG 49 2HB ARG 49 12.962 8.367 5.694 327 2HB ARG 49 1HB ARG 49 14.046 9.722 5.399 328 1HG ARG 49 2HG ARG 49 13.203 10.090 3.317 329 2HG ARG 49 1HG ARG 49 13.094 8.366 2.959 330 1HD ARG 49 2HD ARG 49 10.849 9.407 3.065 331 2HD ARG 49 1HD ARG 49 11.059 8.194 4.329 332 HE ARG 49 HE ARG 49 11.299 10.010 5.953 333 1HH1 ARG 49 1HH1 ARG 49 9.318 10.531 3.325 334 2HH1 ARG 49 2HH1 ARG 49 9.229 12.253 3.495 335 1HH2 ARG 49 1HH2 ARG 49 11.691 12.406 5.932 336 2HH2 ARG 49 2HH2 ARG 49 10.573 13.315 4.969 337 H GLY 50 H GLY 50 16.604 6.119 5.194 338 1HA GLY 50 2HA GLY 50 17.549 7.088 7.690 339 2HA GLY 50 1HA GLY 50 16.331 5.856 8.008 340 H ASP 51 H ASP 51 19.018 6.227 5.675 341 HA ASP 51 HA ASP 51 20.615 4.657 4.981 342 1HB ASP 51 2HB ASP 51 20.774 5.036 7.758 343 2HB ASP 51 1HB ASP 51 20.917 3.299 7.495 344 H TRP 52 H TRP 52 19.001 3.421 3.730 345 HA TRP 52 HA TRP 52 19.176 0.657 4.223 346 1HB TRP 52 2HB TRP 52 16.578 0.332 4.572 347 2HB TRP 52 1HB TRP 52 17.658 0.535 5.943 348 HD1 TRP 52 HD1 TRP 52 16.534 3.479 3.740 349 HE1 TRP 52 HE1 TRP 52 15.103 5.044 5.167 350 HE3 TRP 52 HE3 TRP 52 16.193 0.734 8.033 351 HZ2 TRP 52 HZ2 TRP 52 13.964 5.167 7.778 352 HZ3 TRP 52 HZ3 TRP 52 14.928 1.607 9.977 353 HH2 TRP 52 HH2 TRP 52 13.814 3.820 9.853 354 H ASN 53 H ASN 53 17.816 -0.619 2.684 355 HA ASN 53 HA ASN 53 17.970 0.495 0.077 356 1HB ASN 53 2HB ASN 53 17.457 -2.030 1.187 357 2HB ASN 53 1HB ASN 53 16.026 -1.652 0.229 358 1HD2 ASN 53 1HD2 ASN 53 16.459 -2.969 -1.610 359 2HD2 ASN 53 2HD2 ASN 53 17.820 -2.762 -2.603 360 H ASP 54 H ASP 54 16.060 0.578 -1.457 361 HA ASP 54 HA ASP 54 13.806 2.032 -0.141 362 1HB ASP 54 2HB ASP 54 13.493 2.779 -2.664 363 2HB ASP 54 1HB ASP 54 14.693 3.572 -1.645 364 H ASP 55 H ASP 55 11.837 1.890 -1.937 365 HA ASP 55 HA ASP 55 11.466 -1.029 -2.437 366 1HB ASP 55 2HB ASP 55 9.247 0.880 -1.812 367 2HB ASP 55 1HB ASP 55 9.212 -0.877 -1.746 368 H ARG 56 H ARG 56 11.182 -1.491 -4.556 369 HA ARG 56 HA ARG 56 10.308 0.673 -6.422 370 1HB ARG 56 2HB ARG 56 12.445 -1.040 -6.589 371 2HB ARG 56 1HB ARG 56 11.224 -1.918 -7.506 372 1HG ARG 56 2HG ARG 56 12.308 -0.517 -9.088 373 2HG ARG 56 1HG ARG 56 10.779 0.286 -8.727 374 1HD ARG 56 2HD ARG 56 12.763 1.835 -8.726 375 2HD ARG 56 1HD ARG 56 11.870 1.820 -7.206 376 HE ARG 56 HE ARG 56 13.721 0.731 -6.168 377 1HH1 ARG 56 1HH1 ARG 56 15.440 2.502 -7.781 378 2HH1 ARG 56 2HH1 ARG 56 16.493 1.390 -8.590 379 1HH2 ARG 56 1HH2 ARG 56 14.480 -1.369 -7.992 380 2HH2 ARG 56 2HH2 ARG 56 15.949 -0.800 -8.710 381 H CYS 57 H CYS 57 8.732 0.046 -8.058 382 HA CYS 57 HA CYS 57 6.919 -2.113 -7.084 383 1HB CYS 57 2HB CYS 57 6.063 0.209 -8.814 384 2HB CYS 57 1HB CYS 57 5.062 -0.832 -7.798 385 H THR 58 H THR 58 5.694 -3.169 -8.907 386 HA THR 58 HA THR 58 7.563 -3.652 -11.150 387 HB THR 58 HB THR 58 6.300 -5.649 -11.557 388 HG1 THR 58 HG1 THR 58 4.360 -5.862 -10.057 389 1HG2 THR 58 1HG2 THR 58 5.918 -5.826 -8.672 390 2HG2 THR 58 2HG2 THR 58 7.465 -5.089 -9.088 391 3HG2 THR 58 3HG2 THR 58 7.057 -6.690 -9.705 392 H GLY 59 H GLY 59 6.196 -4.180 -13.302 393 1HA GLY 59 2HA GLY 59 4.844 -1.643 -13.945 394 2HA GLY 59 1HA GLY 59 5.317 -2.888 -15.101 395 H GLN 60 H GLN 60 3.794 -4.361 -12.507 396 HA GLN 60 HA GLN 60 1.066 -4.028 -13.644 397 1HB GLN 60 2HB GLN 60 1.975 -6.807 -12.999 398 2HB GLN 60 1HB GLN 60 0.761 -6.267 -14.159 399 1HG GLN 60 2HG GLN 60 2.655 -5.281 -15.529 400 2HG GLN 60 1HG GLN 60 3.772 -6.111 -14.444 401 1HE2 GLN 60 1HE2 GLN 60 4.105 -7.047 -16.902 402 2HE2 GLN 60 2HE2 GLN 60 3.287 -8.507 -17.182 403 H SER 61 H SER 61 2.708 -3.512 -11.043 404 HA SER 61 HA SER 61 0.797 -4.892 -9.199 405 1HB SER 61 2HB SER 61 2.972 -5.619 -8.598 406 2HB SER 61 1HB SER 61 3.664 -4.018 -8.838 407 HG SER 61 HG SER 61 3.384 -4.035 -6.714 408 H ALA 62 H ALA 62 -0.400 -3.616 -7.809 409 HA ALA 62 HA ALA 62 -0.063 -0.666 -8.132 410 1HB ALA 62 1HB ALA 62 -2.263 -1.697 -8.790 411 2HB ALA 62 2HB ALA 62 -2.398 -0.463 -7.537 412 3HB ALA 62 3HB ALA 62 -2.484 -2.171 -7.106 413 H ASP 63 H ASP 63 0.156 -3.270 -5.891 414 HA ASP 63 HA ASP 63 0.220 -1.349 -3.608 415 1HB ASP 63 2HB ASP 63 0.333 -4.267 -3.128 416 2HB ASP 63 1HB ASP 63 -0.503 -3.017 -2.217 417 H CYS 64 H CYS 64 2.006 -1.682 -2.033 418 HA CYS 64 HA CYS 64 4.442 -2.673 -3.447 419 1HB CYS 64 2HB CYS 64 4.455 -0.274 -2.955 420 2HB CYS 64 1HB CYS 64 4.216 -0.605 -1.246 421 HA PRO 65 HA PRO 65 4.335 -5.699 -0.199 422 1HB PRO 65 2HB PRO 65 5.969 -7.414 -1.571 423 2HB PRO 65 1HB PRO 65 4.232 -7.305 -1.853 424 1HG PRO 65 2HG PRO 65 6.479 -6.386 -3.551 425 2HG PRO 65 1HG PRO 65 4.801 -6.726 -4.005 426 1HD PRO 65 2HD PRO 65 5.983 -4.158 -3.563 427 2HD PRO 65 1HD PRO 65 4.273 -4.505 -3.882 428 H ARG 66 H ARG 66 6.006 -3.480 0.253 429 HA ARG 66 HA ARG 66 8.513 -4.823 1.081 430 1HB ARG 66 2HB ARG 66 8.330 -2.016 -0.044 431 2HB ARG 66 1HB ARG 66 9.801 -2.819 0.507 432 1HG ARG 66 2HG ARG 66 8.052 -3.948 -1.689 433 2HG ARG 66 1HG ARG 66 9.405 -2.863 -2.010 434 1HD ARG 66 2HD ARG 66 10.975 -4.408 -1.029 435 2HD ARG 66 1HD ARG 66 9.671 -5.435 -0.433 436 HE ARG 66 HE ARG 66 9.218 -6.095 -2.754 437 1HH1 ARG 66 1HH2 ARG 66 11.337 -3.497 -2.927 438 2HH1 ARG 66 2HH2 ARG 66 12.406 -4.219 -4.084 439 1HH2 ARG 66 1HH1 ARG 66 10.891 -7.335 -3.934 440 2HH2 ARG 66 2HH1 ARG 66 12.152 -6.391 -4.654 441 H TYR 67 H TYR 67 9.558 -2.421 2.311 442 HA TYR 67 HA TYR 67 7.518 -1.612 4.256 443 1HB TYR 67 2HB TYR 67 9.555 -2.196 5.987 444 2HB TYR 67 1HB TYR 67 8.168 -3.245 5.704 445 HD1 TYR 67 HD1 TYR 67 11.732 -2.952 5.508 446 HD2 TYR 67 HD2 TYR 67 8.358 -4.970 3.778 447 HE1 TYR 67 HE1 TYR 67 13.239 -4.710 4.621 448 HE2 TYR 67 HE2 TYR 67 9.866 -6.728 2.889 449 HH TYR 67 HH TYR 67 12.652 -7.444 3.906 450 H HIS 68 HN HIS 68 11.092 -1.565 4.058 451 HA HIS 68 HA HIS 68 10.914 1.417 4.233 452 1HB HIS 68 2HB HIS 68 13.325 -0.229 5.007 453 2HB HIS 68 1HB HIS 68 12.946 1.434 5.459 454 HD1 HIS 68 HD1 HIS 68 10.418 1.520 6.783 455 HD2 HIS 68 HD2 HIS 68 12.729 -1.938 7.080 456 HE1 HIS 68 HE1 HIS 68 9.581 0.272 8.822 Start of MODEL 3 1 1H GLY 1 1HT GLY 1 -12.726 -15.616 -2.250 2 2H GLY 1 2HT GLY 1 -11.180 -15.595 -2.955 3 3H GLY 1 3HT GLY 1 -12.314 -14.394 -3.351 4 1HA GLY 1 1HA GLY 1 -12.124 -14.252 -0.625 5 2HA GLY 1 2HA GLY 1 -10.468 -14.495 -1.182 6 H LYS 2 H LYS 2 -11.416 -12.042 -0.044 7 HA LYS 2 HA LYS 2 -11.411 -9.735 -0.480 8 1HB LYS 2 2HB LYS 2 -9.661 -10.936 -2.590 9 2HB LYS 2 1HB LYS 2 -10.110 -9.238 -2.750 10 1HG LYS 2 2HG LYS 2 -9.412 -9.616 -0.035 11 2HG LYS 2 1HG LYS 2 -8.167 -10.430 -0.982 12 1HD LYS 2 2HD LYS 2 -8.035 -8.323 -2.403 13 2HD LYS 2 1HD LYS 2 -9.048 -7.543 -1.188 14 1HE LYS 2 2HE LYS 2 -6.831 -7.032 -0.519 15 2HE LYS 2 1HE LYS 2 -7.309 -8.367 0.530 16 1HZ LYS 2 1HZ LYS 2 -6.044 -9.870 -0.667 17 2HZ LYS 2 2HZ LYS 2 -5.057 -8.488 -0.649 18 3HZ LYS 2 3HZ LYS 2 -5.953 -8.878 -2.039 19 H GLU 3 H GLU 3 -13.571 -9.240 -0.867 20 HA GLU 3 HA GLU 3 -14.452 -9.385 -3.722 21 1HB GLU 3 2HB GLU 3 -15.686 -10.421 -1.337 22 2HB GLU 3 1HB GLU 3 -16.734 -9.212 -2.077 23 1HG GLU 3 2HG GLU 3 -16.866 -10.397 -4.109 24 2HG GLU 3 1HG GLU 3 -15.430 -11.355 -3.747 25 H CYS 4 H CYS 4 -13.069 -7.154 -2.918 26 HA CYS 4 HA CYS 4 -14.857 -5.046 -3.503 27 1HB CYS 4 2HB CYS 4 -15.601 -5.618 -1.146 28 2HB CYS 4 1HB CYS 4 -14.061 -4.969 -0.639 29 H ASP 5 H ASP 5 -12.854 -5.110 -4.836 30 HA ASP 5 HA ASP 5 -10.264 -4.575 -4.217 31 1HB ASP 5 2HB ASP 5 -11.348 -4.514 -6.516 32 2HB ASP 5 1HB ASP 5 -11.761 -2.832 -6.182 33 H CYS 6 H CYS 6 -12.941 -2.261 -3.880 34 HA CYS 6 HA CYS 6 -11.237 -0.718 -1.994 35 1HB CYS 6 2HB CYS 6 -12.799 0.695 -4.160 36 2HB CYS 6 1HB CYS 6 -11.650 1.398 -3.026 37 H SER 7 H SER 7 -12.439 0.323 -0.378 38 HA SER 7 HA SER 7 -15.307 -0.464 -0.266 39 1HB SER 7 2HB SER 7 -15.069 0.210 2.161 40 2HB SER 7 1HB SER 7 -14.039 -1.134 1.673 41 HG SER 7 HG SER 7 -13.060 1.473 1.408 42 H SER 8 H SER 8 -13.775 2.024 -1.551 43 HA SER 8 HA SER 8 -15.319 4.184 -0.240 44 1HB SER 8 2HB SER 8 -13.965 5.243 -2.449 45 2HB SER 8 1HB SER 8 -13.451 5.324 -0.768 46 HG SER 8 HG SER 8 -11.814 4.319 -1.808 47 HA PRO 9 HA PRO 9 -18.383 3.590 -3.449 48 1HB PRO 9 2HB PRO 9 -20.163 5.415 -2.419 49 2HB PRO 9 1HB PRO 9 -19.987 3.764 -1.801 50 1HG PRO 9 2HG PRO 9 -19.051 6.328 -0.599 51 2HG PRO 9 1HG PRO 9 -19.470 4.802 0.197 52 1HD PRO 9 2HD PRO 9 -16.848 5.731 -0.329 53 2HD PRO 9 1HD PRO 9 -17.294 4.081 0.157 54 H GLU 10 H GLU 10 -16.407 6.250 -2.843 55 HA GLU 10 HA GLU 10 -17.623 7.816 -5.083 56 1HB GLU 10 2HB GLU 10 -15.672 8.731 -2.946 57 2HB GLU 10 1HB GLU 10 -16.396 9.749 -4.190 58 1HG GLU 10 2HG GLU 10 -18.337 9.946 -3.046 59 2HG GLU 10 1HG GLU 10 -18.386 8.221 -2.679 60 H ASN 11 H ASN 11 -14.939 5.897 -4.150 61 HA ASN 11 HA ASN 11 -12.877 7.020 -5.749 62 1HB ASN 11 2HB ASN 11 -13.001 4.940 -4.025 63 2HB ASN 11 1HB ASN 11 -13.008 4.064 -5.555 64 1HD2 ASN 11 1HD2 ASN 11 -10.755 3.421 -4.537 65 2HD2 ASN 11 2HD2 ASN 11 -9.445 4.410 -4.966 66 HA PRO 12 HA PRO 12 -14.712 5.993 -9.702 67 1HB PRO 12 2HB PRO 12 -12.782 7.254 -11.198 68 2HB PRO 12 1HB PRO 12 -14.118 8.109 -10.406 69 1HG PRO 12 2HG PRO 12 -11.241 7.994 -9.630 70 2HG PRO 12 1HG PRO 12 -12.442 9.255 -9.301 71 1HD PRO 12 2HD PRO 12 -11.552 7.290 -7.466 72 2HD PRO 12 1HD PRO 12 -12.970 8.342 -7.267 73 H CYS 13 H CYS 13 -12.101 4.673 -8.216 74 HA CYS 13 HA CYS 13 -11.262 3.112 -10.625 75 1HB CYS 13 2HB CYS 13 -9.781 3.842 -8.095 76 2HB CYS 13 1HB CYS 13 -9.224 2.574 -9.173 77 H CYS 14 H CYS 14 -13.562 2.728 -8.614 78 HA CYS 14 HA CYS 14 -13.223 -0.159 -8.460 79 1HB CYS 14 2HB CYS 14 -12.833 1.561 -6.056 80 2HB CYS 14 1HB CYS 14 -13.749 0.067 -5.849 81 H ASP 15 H ASP 15 -15.206 -0.629 -9.279 82 HA ASP 15 HA ASP 15 -17.554 0.842 -9.194 83 1HB ASP 15 2HB ASP 15 -17.004 -1.472 -10.286 84 2HB ASP 15 1HB ASP 15 -17.687 -2.109 -8.797 85 H ALA 16 H ALA 16 -19.059 1.333 -7.629 86 HA ALA 16 HA ALA 16 -18.478 0.421 -4.893 87 1HB ALA 16 1HB ALA 16 -18.910 2.869 -5.547 88 2HB ALA 16 2HB ALA 16 -19.781 2.253 -4.142 89 3HB ALA 16 3HB ALA 16 -20.604 2.402 -5.695 90 H ALA 17 H ALA 17 -20.530 -0.441 -7.442 91 HA ALA 17 HA ALA 17 -22.641 -1.444 -5.599 92 1HB ALA 17 1HB ALA 17 -24.078 -1.259 -7.343 93 2HB ALA 17 2HB ALA 17 -22.949 -2.025 -8.461 94 3HB ALA 17 3HB ALA 17 -22.810 -0.302 -8.109 95 H THR 18 H THR 18 -19.828 -2.454 -7.210 96 HA THR 18 HA THR 18 -20.611 -5.307 -6.814 97 HB THR 18 HB THR 18 -19.559 -3.924 -9.148 98 HG1 THR 18 HG1 THR 18 -20.416 -5.725 -10.125 99 1HG2 THR 18 1HG2 THR 18 -17.399 -4.825 -8.407 100 2HG2 THR 18 2HG2 THR 18 -17.969 -5.687 -9.837 101 3HG2 THR 18 3HG2 THR 18 -18.115 -6.429 -8.245 102 H CYS 19 H CYS 19 -18.808 -2.887 -5.560 103 HA CYS 19 HA CYS 19 -16.785 -2.784 -4.357 104 1HB CYS 19 2HB CYS 19 -18.313 -5.094 -3.533 105 2HB CYS 19 1HB CYS 19 -16.603 -5.358 -3.287 106 H LYS 20 H LYS 20 -15.540 -2.701 -6.387 107 HA LYS 20 HA LYS 20 -13.351 -4.488 -6.396 108 1HB LYS 20 2HB LYS 20 -15.631 -5.316 -8.099 109 2HB LYS 20 1HB LYS 20 -14.032 -5.366 -8.843 110 1HG LYS 20 2HG LYS 20 -13.667 -6.450 -6.280 111 2HG LYS 20 1HG LYS 20 -15.175 -7.156 -6.865 112 1HD LYS 20 2HD LYS 20 -13.471 -7.219 -9.083 113 2HD LYS 20 1HD LYS 20 -12.446 -7.685 -7.724 114 1HE LYS 20 2HE LYS 20 -13.808 -9.526 -7.168 115 2HE LYS 20 1HE LYS 20 -15.183 -8.898 -8.077 116 1HZ LYS 20 1HZ LYS 20 -14.242 -9.495 -10.081 117 2HZ LYS 20 2HZ LYS 20 -13.773 -10.786 -9.080 118 3HZ LYS 20 3HZ LYS 20 -12.666 -9.554 -9.459 119 H LEU 21 H LEU 21 -12.034 -4.217 -8.510 120 HA LEU 21 HA LEU 21 -11.675 -1.428 -8.997 121 1HB LEU 21 2HB LEU 21 -10.565 -3.940 -10.023 122 2HB LEU 21 1HB LEU 21 -10.633 -2.663 -11.235 123 HG LEU 21 HG LEU 21 -9.387 -2.378 -8.492 124 1HD1 LEU 21 1HD1 LEU 21 -7.647 -3.447 -9.464 125 2HD1 LEU 21 2HD1 LEU 21 -7.433 -1.960 -10.389 126 3HD1 LEU 21 3HD1 LEU 21 -8.355 -3.299 -11.072 127 1HD2 LEU 21 1HD2 LEU 21 -10.413 -0.445 -10.207 128 2HD2 LEU 21 2HD2 LEU 21 -8.672 -0.427 -10.492 129 3HD2 LEU 21 3HD2 LEU 21 -9.302 -0.181 -8.863 130 H ARG 22 H ARG 22 -12.270 -0.148 -10.777 131 HA ARG 22 HA ARG 22 -14.712 -0.977 -12.138 132 1HB ARG 22 2HB ARG 22 -14.562 1.183 -13.285 133 2HB ARG 22 1HB ARG 22 -14.238 1.416 -11.566 134 1HG ARG 22 2HG ARG 22 -12.361 2.483 -12.248 135 2HG ARG 22 1HG ARG 22 -11.728 0.868 -12.566 136 1HD ARG 22 2HD ARG 22 -11.409 2.047 -14.602 137 2HD ARG 22 1HD ARG 22 -12.851 1.067 -14.874 138 HE ARG 22 HE ARG 22 -13.142 3.905 -14.003 139 1HH1 ARG 22 1HH2 ARG 22 -12.545 3.072 -16.969 140 2HH1 ARG 22 2HH2 ARG 22 -14.147 3.166 -17.621 141 1HH2 ARG 22 1HH1 ARG 22 -15.690 3.280 -14.518 142 2HH2 ARG 22 2HH1 ARG 22 -15.928 3.284 -16.233 143 HA PRO 23 HA PRO 23 -12.417 -3.285 -15.180 144 1HB PRO 23 2HB PRO 23 -14.557 -3.638 -16.901 145 2HB PRO 23 1HB PRO 23 -14.253 -4.626 -15.461 146 1HG PRO 23 2HG PRO 23 -16.190 -2.349 -15.810 147 2HG PRO 23 1HG PRO 23 -16.373 -3.843 -14.869 148 1HD PRO 23 2HD PRO 23 -15.741 -1.436 -13.689 149 2HD PRO 23 1HD PRO 23 -15.212 -2.994 -13.038 150 H GLY 24 H GLY 24 -11.202 -1.322 -15.654 151 1HA GLY 24 2HA GLY 24 -11.184 -0.576 -18.373 152 2HA GLY 24 1HA GLY 24 -12.011 0.709 -17.482 153 H ALA 25 H ALA 25 -10.563 0.314 -15.042 154 HA ALA 25 HA ALA 25 -8.074 1.720 -15.701 155 1HB ALA 25 1HB ALA 25 -8.006 2.118 -13.244 156 2HB ALA 25 2HB ALA 25 -9.446 1.118 -13.070 157 3HB ALA 25 3HB ALA 25 -9.530 2.636 -13.962 158 H GLN 26 H GLN 26 -6.568 0.943 -13.422 159 HA GLN 26 HA GLN 26 -6.257 -1.993 -13.696 160 1HB GLN 26 2HB GLN 26 -4.595 -0.159 -15.047 161 2HB GLN 26 1HB GLN 26 -3.650 -0.743 -13.677 162 1HG GLN 26 2HG GLN 26 -3.191 -2.490 -15.077 163 2HG GLN 26 1HG GLN 26 -4.763 -3.072 -14.526 164 1HE2 GLN 26 1HE2 GLN 26 -3.824 -0.497 -16.879 165 2HE2 GLN 26 2HE2 GLN 26 -4.772 -1.110 -18.148 166 H CYS 27 H CYS 27 -6.812 0.360 -11.625 167 HA CYS 27 HA CYS 27 -5.686 -1.122 -9.420 168 1HB CYS 27 2HB CYS 27 -3.733 0.010 -9.246 169 2HB CYS 27 1HB CYS 27 -4.251 1.232 -10.392 170 H GLY 28 H GLY 28 -6.498 -0.380 -7.371 171 1HA GLY 28 2HA GLY 28 -8.873 1.416 -7.651 172 2HA GLY 28 1HA GLY 28 -8.870 -0.010 -6.613 173 H GLU 29 H GLU 29 -5.902 0.758 -6.056 174 HA GLU 29 HA GLU 29 -5.846 3.254 -4.711 175 1HB GLU 29 2HB GLU 29 -6.152 2.526 -2.376 176 2HB GLU 29 1HB GLU 29 -7.617 2.261 -3.323 177 1HG GLU 29 2HG GLU 29 -7.556 0.068 -2.844 178 2HG GLU 29 1HG GLU 29 -5.951 -0.057 -3.564 179 H GLY 30 H GLY 30 -3.726 3.655 -4.407 180 1HA GLY 30 2HA GLY 30 -1.830 1.909 -3.196 181 2HA GLY 30 1HA GLY 30 -1.662 1.782 -4.955 182 H LEU 31 H LEU 31 0.546 2.889 -3.682 183 HA LEU 31 HA LEU 31 0.118 5.825 -3.706 184 1HB LEU 31 2HB LEU 31 1.690 5.608 -2.087 185 2HB LEU 31 1HB LEU 31 2.013 3.989 -2.574 186 HG LEU 31 HG LEU 31 3.616 4.730 -4.239 187 1HD1 LEU 31 1HD1 LEU 31 3.857 7.494 -3.798 188 2HD1 LEU 31 2HD1 LEU 31 2.122 7.208 -3.936 189 3HD1 LEU 31 3HD1 LEU 31 3.203 6.716 -5.239 190 1HD2 LEU 31 1HD2 LEU 31 4.517 6.627 -2.208 191 2HD2 LEU 31 2HD2 LEU 31 5.219 5.076 -2.671 192 3HD2 LEU 31 3HD2 LEU 31 3.918 5.135 -1.483 193 H CYS 32 H CYS 32 1.641 3.226 -5.493 194 HA CYS 32 HA CYS 32 2.514 5.106 -7.616 195 1HB CYS 32 2HB CYS 32 3.091 2.272 -6.885 196 2HB CYS 32 1HB CYS 32 3.143 2.679 -8.597 197 H CYS 33 H CYS 33 -0.264 4.972 -7.191 198 HA CYS 33 HA CYS 33 -1.303 3.194 -9.342 199 1HB CYS 33 2HB CYS 33 -2.468 4.530 -6.954 200 2HB CYS 33 1HB CYS 33 -3.519 4.366 -8.352 201 H GLU 34 H GLU 34 -0.955 4.265 -11.292 202 HA GLU 34 HA GLU 34 -1.078 7.097 -11.646 203 1HB GLU 34 2HB GLU 34 -0.422 4.950 -13.243 204 2HB GLU 34 1HB GLU 34 -1.927 5.518 -13.957 205 1HG GLU 34 2HG GLU 34 -1.018 7.806 -14.084 206 2HG GLU 34 1HG GLU 34 0.492 7.242 -13.369 207 H GLN 35 H GLN 35 -2.908 7.751 -13.544 208 HA GLN 35 HA GLN 35 -5.325 8.055 -12.090 209 1HB GLN 35 2HB GLN 35 -5.000 8.088 -15.107 210 2HB GLN 35 1HB GLN 35 -6.292 8.856 -14.183 211 1HG GLN 35 2HG GLN 35 -3.963 9.840 -13.012 212 2HG GLN 35 1HG GLN 35 -3.593 9.819 -14.737 213 1HE2 GLN 35 1HE2 GLN 35 -4.001 12.273 -13.238 214 2HE2 GLN 35 2HE2 GLN 35 -5.397 13.021 -13.850 215 H CYS 36 H CYS 36 -5.943 5.955 -11.311 216 HA CYS 36 HA CYS 36 -7.032 3.873 -11.440 217 1HB CYS 36 2HB CYS 36 -8.240 5.632 -13.394 218 2HB CYS 36 1HB CYS 36 -8.233 3.980 -13.990 219 H LYS 37 H LYS 37 -4.418 3.611 -12.059 220 HA LYS 37 HA LYS 37 -4.440 1.470 -14.065 221 1HB LYS 37 2HB LYS 37 -3.515 4.151 -14.734 222 2HB LYS 37 1HB LYS 37 -2.227 2.959 -14.909 223 1HG LYS 37 2HG LYS 37 -3.943 1.531 -16.178 224 2HG LYS 37 1HG LYS 37 -4.929 2.991 -16.254 225 1HD LYS 37 2HD LYS 37 -2.503 3.963 -17.047 226 2HD LYS 37 1HD LYS 37 -2.439 2.325 -17.698 227 1HE LYS 37 2HE LYS 37 -4.971 3.012 -18.391 228 2HE LYS 37 1HE LYS 37 -4.193 4.593 -18.456 229 1HZ LYS 37 1HZ LYS 37 -4.110 3.278 -20.562 230 2HZ LYS 37 2HZ LYS 37 -3.083 2.180 -19.771 231 3HZ LYS 37 3HZ LYS 37 -2.599 3.795 -19.988 232 H PHE 38 H PHE 38 -2.240 0.393 -14.148 233 HA PHE 38 HA PHE 38 -1.041 0.469 -11.439 234 1HB PHE 38 2HB PHE 38 -1.055 -1.513 -13.695 235 2HB PHE 38 1HB PHE 38 0.248 -1.576 -12.513 236 HD1 PHE 38 HD1 PHE 38 -1.338 -0.646 -10.079 237 HD2 PHE 38 HD2 PHE 38 -2.226 -3.515 -13.147 238 HE1 PHE 38 HE1 PHE 38 -2.826 -1.850 -8.514 239 HE2 PHE 38 HE2 PHE 38 -3.717 -4.724 -11.579 240 HZ PHE 38 HZ PHE 38 -4.019 -3.893 -9.263 241 H SER 39 H SER 39 0.703 1.787 -11.183 242 HA SER 39 HA SER 39 2.114 3.145 -13.167 243 1HB SER 39 2HB SER 39 3.933 3.407 -11.544 244 2HB SER 39 1HB SER 39 2.385 3.528 -10.711 245 HG SER 39 HG SER 39 2.627 1.429 -10.008 246 H ARG 40 H ARG 40 4.565 2.693 -13.663 247 HA ARG 40 HA ARG 40 4.688 -0.025 -14.767 248 1HB ARG 40 2HB ARG 40 5.777 2.553 -15.482 249 2HB ARG 40 1HB ARG 40 7.044 1.328 -15.430 250 1HG ARG 40 2HG ARG 40 6.182 1.225 -17.645 251 2HG ARG 40 1HG ARG 40 5.447 -0.141 -16.805 252 1HD ARG 40 2HD ARG 40 3.357 0.751 -16.925 253 2HD ARG 40 1HD ARG 40 3.933 2.385 -16.593 254 HE ARG 40 HE ARG 40 4.754 1.586 -19.226 255 1HH1 ARG 40 1HH1 ARG 40 1.709 0.925 -18.595 256 2HH1 ARG 40 2HH1 ARG 40 0.976 2.283 -19.382 257 1HH2 ARG 40 1HH2 ARG 40 3.949 4.035 -19.713 258 2HH2 ARG 40 2HH2 ARG 40 2.244 4.043 -20.015 259 H ALA 41 H ALA 41 6.000 -1.582 -13.889 260 HA ALA 41 HA ALA 41 7.043 -1.424 -11.313 261 1HB ALA 41 1HB ALA 41 7.755 -3.118 -13.683 262 2HB ALA 41 2HB ALA 41 7.010 -3.593 -12.157 263 3HB ALA 41 3HB ALA 41 8.733 -3.223 -12.220 264 H GLY 42 H GLY 42 9.282 -1.217 -10.553 265 1HA GLY 42 2HA GLY 42 11.496 -0.367 -10.680 266 2HA GLY 42 1HA GLY 42 11.175 0.127 -12.341 267 H LYS 43 H LYS 43 8.882 0.897 -9.844 268 HA LYS 43 HA LYS 43 9.748 3.742 -10.017 269 1HB LYS 43 2HB LYS 43 7.490 3.490 -10.872 270 2HB LYS 43 1HB LYS 43 7.028 2.522 -9.479 271 1HG LYS 43 2HG LYS 43 6.190 4.809 -9.225 272 2HG LYS 43 1HG LYS 43 7.404 4.480 -8.009 273 1HD LYS 43 2HD LYS 43 8.292 6.456 -8.742 274 2HD LYS 43 1HD LYS 43 8.980 5.437 -10.006 275 1HE LYS 43 2HE LYS 43 6.351 6.034 -10.844 276 2HE LYS 43 1HE LYS 43 7.027 7.551 -10.250 277 1HZ LYS 43 1HZ LYS 43 7.693 6.059 -12.598 278 2HZ LYS 43 2HZ LYS 43 9.064 6.422 -11.662 279 3HZ LYS 43 3HZ LYS 43 8.048 7.670 -12.205 280 H ILE 44 H ILE 44 9.199 4.907 -7.764 281 HA ILE 44 HA ILE 44 10.178 2.984 -5.736 282 HB ILE 44 HB ILE 44 10.714 5.784 -6.307 283 1HG1 ILE 44 2HG1 ILE 44 12.396 4.008 -6.279 284 2HG1 ILE 44 1HG1 ILE 44 12.769 5.211 -5.043 285 1HG2 ILE 44 1HG2 ILE 44 11.130 6.242 -3.784 286 2HG2 ILE 44 2HG2 ILE 44 9.921 4.987 -3.509 287 3HG2 ILE 44 3HG2 ILE 44 9.490 6.448 -4.400 288 1HD1 ILE 44 1HD1 ILE 44 10.981 3.119 -4.055 289 2HD1 ILE 44 2HD1 ILE 44 12.489 3.720 -3.366 290 3HD1 ILE 44 3HD1 ILE 44 12.524 2.476 -4.616 291 H CYS 45 H CYS 45 8.366 2.025 -4.866 292 HA CYS 45 HA CYS 45 5.971 3.580 -4.154 293 1HB CYS 45 2HB CYS 45 6.419 0.906 -4.689 294 2HB CYS 45 1HB CYS 45 6.278 0.929 -2.942 295 H ARG 46 H ARG 46 9.018 3.256 -2.833 296 HA ARG 46 HA ARG 46 8.352 4.632 -0.434 297 1HB ARG 46 2HB ARG 46 7.687 1.903 -0.286 298 2HB ARG 46 1HB ARG 46 9.186 2.071 0.630 299 1HG ARG 46 2HG ARG 46 8.201 3.914 1.930 300 2HG ARG 46 1HG ARG 46 6.705 3.776 1.005 301 1HD ARG 46 2HD ARG 46 6.420 1.459 1.810 302 2HD ARG 46 1HD ARG 46 7.911 1.602 2.742 303 HE ARG 46 HE ARG 46 5.832 3.612 3.327 304 1HH1 ARG 46 1HH1 ARG 46 8.192 1.635 4.593 305 2HH1 ARG 46 2HH1 ARG 46 7.312 1.173 6.011 306 1HH2 ARG 46 1HH2 ARG 46 4.333 2.595 4.948 307 2HH2 ARG 46 2HH2 ARG 46 5.128 1.719 6.213 308 H ILE 47 H ILE 47 10.247 4.583 1.166 309 HA ILE 47 HA ILE 47 12.790 4.121 -0.342 310 HB ILE 47 HB ILE 47 12.310 6.519 0.006 311 1HG1 ILE 47 2HG1 ILE 47 14.409 7.046 1.346 312 2HG1 ILE 47 1HG1 ILE 47 14.547 5.315 1.660 313 1HG2 ILE 47 1HG2 ILE 47 12.705 6.370 2.927 314 2HG2 ILE 47 2HG2 ILE 47 11.169 5.710 2.363 315 3HG2 ILE 47 3HG2 ILE 47 11.602 7.379 1.990 316 1HD1 ILE 47 1HD1 ILE 47 15.234 6.807 -0.740 317 2HD1 ILE 47 2HD1 ILE 47 14.106 5.499 -1.101 318 3HD1 ILE 47 3HD1 ILE 47 15.640 5.146 -0.305 319 H ALA 48 H ALA 48 14.252 2.785 0.652 320 HA ALA 48 HA ALA 48 13.552 1.294 2.970 321 1HB ALA 48 1HB ALA 48 16.436 1.647 2.278 322 2HB ALA 48 2HB ALA 48 15.385 0.912 1.069 323 3HB ALA 48 3HB ALA 48 15.547 0.174 2.662 324 H ARG 49 H ARG 49 15.719 1.299 4.676 325 HA ARG 49 HA ARG 49 15.633 4.058 5.820 326 1HB ARG 49 2HB ARG 49 16.106 1.640 7.488 327 2HB ARG 49 1HB ARG 49 15.400 3.182 7.954 328 1HG ARG 49 2HG ARG 49 14.084 1.180 6.096 329 2HG ARG 49 1HG ARG 49 13.702 1.353 7.810 330 1HD ARG 49 2HD ARG 49 13.439 3.535 5.720 331 2HD ARG 49 1HD ARG 49 12.104 2.620 6.420 332 HE ARG 49 HE ARG 49 13.354 4.887 7.636 333 1HH1 ARG 49 1HH2 ARG 49 11.570 2.021 8.147 334 2HH1 ARG 49 2HH2 ARG 49 11.470 2.214 9.865 335 1HH2 ARG 49 1HH1 ARG 49 13.512 5.014 9.939 336 2HH2 ARG 49 2HH1 ARG 49 12.569 3.908 10.879 337 H GLY 50 H GLY 50 17.676 2.676 4.005 338 1HA GLY 50 2HA GLY 50 20.018 3.789 5.161 339 2HA GLY 50 1HA GLY 50 20.011 2.060 5.500 340 H ASP 51 H ASP 51 20.393 0.620 3.808 341 HA ASP 51 HA ASP 51 20.528 1.620 1.060 342 1HB ASP 51 2HB ASP 51 22.869 1.243 2.737 343 2HB ASP 51 1HB ASP 51 22.938 0.263 1.274 344 H TRP 52 H TRP 52 19.173 0.080 0.215 345 HA TRP 52 HA TRP 52 20.049 -2.609 -0.144 346 1HB TRP 52 2HB TRP 52 17.805 -3.326 1.332 347 2HB TRP 52 1HB TRP 52 19.476 -3.535 1.845 348 HD1 TRP 52 HD1 TRP 52 17.260 -0.361 1.702 349 HE1 TRP 52 HE1 TRP 52 17.355 0.783 4.007 350 HE3 TRP 52 HE3 TRP 52 20.185 -3.690 4.208 351 HZ2 TRP 52 HZ2 TRP 52 18.521 0.342 6.582 352 HZ3 TRP 52 HZ3 TRP 52 20.782 -3.311 6.585 353 HH2 TRP 52 HH2 TRP 52 19.952 -1.298 7.774 354 H ASN 53 H ASN 53 17.610 -3.936 -0.439 355 HA ASN 53 HA ASN 53 16.635 -2.856 -2.886 356 1HB ASN 53 2HB ASN 53 15.710 -4.980 -0.992 357 2HB ASN 53 1HB ASN 53 14.582 -4.418 -2.226 358 1HD2 ASN 53 1HD2 ASN 53 18.022 -5.495 -1.957 359 2HD2 ASN 53 2HD2 ASN 53 18.040 -6.290 -3.457 360 H ASP 54 H ASP 54 14.506 -1.920 -3.315 361 HA ASP 54 HA ASP 54 13.437 -0.396 -0.973 362 1HB ASP 54 2HB ASP 54 14.369 0.485 -3.577 363 2HB ASP 54 1HB ASP 54 12.715 1.008 -3.270 364 H ASP 55 H ASP 55 11.120 0.526 -1.789 365 HA ASP 55 HA ASP 55 9.528 -1.892 -2.291 366 1HB ASP 55 2HB ASP 55 8.987 0.884 -1.393 367 2HB ASP 55 1HB ASP 55 7.665 0.003 -2.147 368 H ARG 56 H ARG 56 11.079 -1.279 -4.512 369 HA ARG 56 HA ARG 56 10.241 0.406 -6.471 370 1HB ARG 56 2HB ARG 56 11.961 -1.591 -6.499 371 2HB ARG 56 1HB ARG 56 10.617 -2.456 -7.249 372 1HG ARG 56 2HG ARG 56 11.888 -1.482 -9.039 373 2HG ARG 56 1HG ARG 56 10.421 -0.518 -8.877 374 1HD ARG 56 2HD ARG 56 12.407 0.932 -9.096 375 2HD ARG 56 1HD ARG 56 11.651 1.133 -7.515 376 HE ARG 56 HE ARG 56 13.587 -0.851 -7.155 377 1HH1 ARG 56 1HH2 ARG 56 13.475 2.386 -8.355 378 2HH1 ARG 56 2HH2 ARG 56 15.055 2.791 -7.774 379 1HH2 ARG 56 1HH1 ARG 56 15.628 -0.317 -6.353 380 2HH2 ARG 56 2HH1 ARG 56 16.272 1.265 -6.642 381 H CYS 57 H CYS 57 8.062 0.920 -6.727 382 HA CYS 57 HA CYS 57 5.836 -0.737 -6.482 383 1HB CYS 57 2HB CYS 57 6.068 1.193 -8.790 384 2HB CYS 57 1HB CYS 57 4.633 0.769 -7.871 385 H THR 58 H THR 58 4.896 -2.315 -7.765 386 HA THR 58 HA THR 58 6.612 -3.439 -9.887 387 HB THR 58 HB THR 58 5.404 -5.420 -9.612 388 HG1 THR 58 HG1 THR 58 3.281 -3.908 -8.499 389 1HG2 THR 58 1HG2 THR 58 4.931 -4.048 -6.954 390 2HG2 THR 58 2HG2 THR 58 6.504 -4.649 -7.475 391 3HG2 THR 58 3HG2 THR 58 5.166 -5.773 -7.237 392 H GLY 59 H GLY 59 5.244 -4.350 -11.853 393 1HA GLY 59 2HA GLY 59 3.818 -2.007 -12.976 394 2HA GLY 59 1HA GLY 59 4.439 -3.373 -13.902 395 H GLN 60 H GLN 60 3.162 -5.130 -11.678 396 HA GLN 60 HA GLN 60 0.553 -5.352 -13.049 397 1HB GLN 60 2HB GLN 60 0.345 -7.477 -11.879 398 2HB GLN 60 1HB GLN 60 1.962 -7.374 -12.580 399 1HG GLN 60 2HG GLN 60 2.544 -6.288 -10.229 400 2HG GLN 60 1HG GLN 60 1.122 -7.196 -9.713 401 1HE2 GLN 60 1HE2 GLN 60 4.113 -7.671 -9.193 402 2HE2 GLN 60 2HE2 GLN 60 4.367 -9.279 -9.671 403 H SER 61 H SER 61 1.864 -4.044 -10.158 404 HA SER 61 HA SER 61 -0.908 -3.657 -9.105 405 1HB SER 61 2HB SER 61 0.979 -5.177 -7.847 406 2HB SER 61 1HB SER 61 1.308 -3.596 -7.146 407 HG SER 61 HG SER 61 -1.047 -5.143 -7.082 408 H ALA 62 H ALA 62 -0.289 -1.852 -7.077 409 HA ALA 62 HA ALA 62 1.464 0.249 -8.104 410 1HB ALA 62 1HB ALA 62 -1.526 0.413 -8.378 411 2HB ALA 62 2HB ALA 62 -0.284 0.831 -9.558 412 3HB ALA 62 3HB ALA 62 -0.565 1.877 -8.167 413 H ASP 63 H ASP 63 0.648 -1.338 -5.566 414 HA ASP 63 HA ASP 63 0.174 1.026 -3.809 415 1HB ASP 63 2HB ASP 63 0.018 -1.755 -2.773 416 2HB ASP 63 1HB ASP 63 -0.908 -0.339 -2.296 417 H CYS 64 H CYS 64 1.343 0.790 -1.615 418 HA CYS 64 HA CYS 64 4.117 -0.132 -2.192 419 1HB CYS 64 2HB CYS 64 3.205 1.991 -0.241 420 2HB CYS 64 1HB CYS 64 4.874 1.569 -0.627 421 HA PRO 65 HA PRO 65 3.015 -3.028 1.031 422 1HB PRO 65 2HB PRO 65 4.925 -4.827 0.255 423 2HB PRO 65 1HB PRO 65 3.324 -4.739 -0.479 424 1HG PRO 65 2HG PRO 65 5.957 -3.870 -1.561 425 2HG PRO 65 1HG PRO 65 4.487 -4.342 -2.430 426 1HD PRO 65 2HD PRO 65 5.392 -1.697 -2.002 427 2HD PRO 65 1HD PRO 65 3.785 -2.175 -2.588 428 H ARG 66 H ARG 66 6.398 -3.775 0.523 429 HA ARG 66 HA ARG 66 7.603 -1.910 2.288 430 1HB ARG 66 2HB ARG 66 6.041 -3.971 3.593 431 2HB ARG 66 1HB ARG 66 7.744 -4.119 4.030 432 1HG ARG 66 2HG ARG 66 7.832 -1.854 4.809 433 2HG ARG 66 1HG ARG 66 6.250 -1.488 4.119 434 1HD ARG 66 2HD ARG 66 6.221 -1.895 6.611 435 2HD ARG 66 1HD ARG 66 5.145 -2.948 5.692 436 HE ARG 66 HE ARG 66 7.804 -4.085 6.153 437 1HH1 ARG 66 1HH1 ARG 66 5.090 -5.504 5.884 438 2HH1 ARG 66 2HH1 ARG 66 4.879 -6.101 7.495 439 1HH2 ARG 66 1HH2 ARG 66 7.324 -4.056 8.859 440 2HH2 ARG 66 2HH2 ARG 66 6.143 -5.282 9.178 441 H TYR 67 H TYR 67 9.759 -2.899 3.194 442 HA TYR 67 HA TYR 67 10.830 -5.302 2.135 443 1HB TYR 67 2HB TYR 67 10.566 -3.282 0.175 444 2HB TYR 67 1HB TYR 67 12.280 -3.386 0.570 445 HD1 TYR 67 HD1 TYR 67 9.453 -5.044 -1.003 446 HD2 TYR 67 HD2 TYR 67 13.466 -5.596 0.425 447 HE1 TYR 67 HE1 TYR 67 9.632 -7.142 -2.314 448 HE2 TYR 67 HE2 TYR 67 13.644 -7.693 -0.886 449 HH TYR 67 HH TYR 67 12.289 -9.336 -1.910 450 H HIS 68 HN HIS 68 10.926 -3.506 4.496 451 HA HIS 68 HA HIS 68 13.800 -3.715 4.970 452 1HB HIS 68 2HB HIS 68 13.745 -1.182 5.739 453 2HB HIS 68 1HB HIS 68 14.090 -1.599 4.061 454 HD1 HIS 68 HD1 HIS 68 11.925 -1.555 2.413 455 HD2 HIS 68 HD2 HIS 68 11.504 0.423 6.058 456 HE1 HIS 68 HE1 HIS 68 9.924 -0.022 2.169 Start of MODEL 4 1 1H GLY 1 1HT GLY 1 -14.726 -12.682 1.084 2 2H GLY 1 2HT GLY 1 -13.771 -14.028 1.487 3 3H GLY 1 3HT GLY 1 -13.551 -13.242 -0.003 4 1HA GLY 1 1HA GLY 1 -13.280 -11.450 2.210 5 2HA GLY 1 2HA GLY 1 -12.124 -12.782 2.269 6 H LYS 2 H LYS 2 -11.539 -9.975 1.696 7 HA LYS 2 HA LYS 2 -10.224 -8.734 0.207 8 1HB LYS 2 2HB LYS 2 -9.154 -11.216 0.208 9 2HB LYS 2 1HB LYS 2 -9.627 -11.102 -1.487 10 1HG LYS 2 2HG LYS 2 -8.504 -8.726 -1.348 11 2HG LYS 2 1HG LYS 2 -7.671 -9.415 0.046 12 1HD LYS 2 2HD LYS 2 -6.961 -11.339 -1.397 13 2HD LYS 2 1HD LYS 2 -7.670 -10.507 -2.781 14 1HE LYS 2 2HE LYS 2 -6.183 -8.555 -2.326 15 2HE LYS 2 1HE LYS 2 -5.426 -9.470 -1.024 16 1HZ LYS 2 1HZ LYS 2 -4.075 -10.291 -2.557 17 2HZ LYS 2 2HZ LYS 2 -4.983 -9.626 -3.830 18 3HZ LYS 2 3HZ LYS 2 -5.394 -11.147 -3.193 19 H GLU 3 H GLU 3 -12.848 -8.506 -0.366 20 HA GLU 3 HA GLU 3 -12.986 -8.834 -3.340 21 1HB GLU 3 2HB GLU 3 -15.413 -8.943 -3.123 22 2HB GLU 3 1HB GLU 3 -14.691 -10.155 -2.066 23 1HG GLU 3 2HG GLU 3 -14.941 -8.681 -0.135 24 2HG GLU 3 1HG GLU 3 -15.565 -7.394 -1.168 25 H CYS 4 H CYS 4 -11.666 -6.639 -2.196 26 HA CYS 4 HA CYS 4 -13.468 -4.457 -3.088 27 1HB CYS 4 2HB CYS 4 -11.987 -4.527 -0.446 28 2HB CYS 4 1HB CYS 4 -12.633 -3.046 -1.153 29 H ASP 5 H ASP 5 -12.007 -4.617 -4.969 30 HA ASP 5 HA ASP 5 -9.240 -4.432 -5.029 31 1HB ASP 5 2HB ASP 5 -11.411 -3.560 -6.810 32 2HB ASP 5 1HB ASP 5 -9.926 -2.635 -7.001 33 H CYS 6 H CYS 6 -11.521 -1.945 -4.063 34 HA CYS 6 HA CYS 6 -9.184 -0.214 -3.384 35 1HB CYS 6 2HB CYS 6 -10.204 1.692 -4.237 36 2HB CYS 6 1HB CYS 6 -10.812 0.486 -5.363 37 H SER 7 H SER 7 -10.322 1.664 -1.795 38 HA SER 7 HA SER 7 -11.898 0.132 0.229 39 1HB SER 7 2HB SER 7 -10.534 1.049 2.008 40 2HB SER 7 1HB SER 7 -9.458 0.292 0.837 41 HG SER 7 HG SER 7 -9.687 2.906 1.585 42 H SER 8 H SER 8 -11.843 2.761 -1.781 43 HA SER 8 HA SER 8 -13.496 4.386 0.104 44 1HB SER 8 2HB SER 8 -11.314 5.121 -1.563 45 2HB SER 8 1HB SER 8 -12.761 5.885 -2.208 46 HG SER 8 HG SER 8 -11.844 7.177 -0.598 47 HA PRO 9 HA PRO 9 -16.821 3.449 -2.666 48 1HB PRO 9 2HB PRO 9 -18.659 5.135 -1.513 49 2HB PRO 9 1HB PRO 9 -18.195 3.572 -0.819 50 1HG PRO 9 2HG PRO 9 -17.453 6.315 0.075 51 2HG PRO 9 1HG PRO 9 -17.534 4.813 1.011 52 1HD PRO 9 2HD PRO 9 -15.176 6.044 0.013 53 2HD PRO 9 1HD PRO 9 -15.299 4.414 0.707 54 H GLU 10 H GLU 10 -15.649 6.716 -2.098 55 HA GLU 10 HA GLU 10 -17.205 7.869 -4.300 56 1HB GLU 10 2HB GLU 10 -15.279 8.853 -2.262 57 2HB GLU 10 1HB GLU 10 -15.315 9.740 -3.787 58 1HG GLU 10 2HG GLU 10 -18.014 9.260 -3.121 59 2HG GLU 10 1HG GLU 10 -17.234 9.774 -1.624 60 H ASN 11 H ASN 11 -14.329 6.082 -4.015 61 HA ASN 11 HA ASN 11 -12.810 7.260 -6.144 62 1HB ASN 11 2HB ASN 11 -12.057 5.587 -4.313 63 2HB ASN 11 1HB ASN 11 -12.689 4.346 -5.395 64 1HD2 ASN 11 1HD2 ASN 11 -9.815 5.578 -4.594 65 2HD2 ASN 11 2HD2 ASN 11 -9.027 5.582 -6.095 66 HA PRO 12 HA PRO 12 -15.375 5.670 -9.428 67 1HB PRO 12 2HB PRO 12 -13.854 6.701 -11.474 68 2HB PRO 12 1HB PRO 12 -14.998 7.662 -10.524 69 1HG PRO 12 2HG PRO 12 -12.021 7.640 -10.411 70 2HG PRO 12 1HG PRO 12 -13.150 8.933 -9.974 71 1HD PRO 12 2HD PRO 12 -11.813 7.205 -8.166 72 2HD PRO 12 1HD PRO 12 -13.161 8.293 -7.775 73 H CYS 13 H CYS 13 -11.858 5.246 -9.302 74 HA CYS 13 HA CYS 13 -11.581 3.283 -11.344 75 1HB CYS 13 2HB CYS 13 -10.027 3.896 -8.840 76 2HB CYS 13 1HB CYS 13 -9.599 2.514 -9.845 77 H CYS 14 H CYS 14 -13.273 3.071 -8.376 78 HA CYS 14 HA CYS 14 -13.424 0.137 -8.795 79 1HB CYS 14 2HB CYS 14 -13.236 -0.319 -6.431 80 2HB CYS 14 1HB CYS 14 -11.840 0.639 -6.924 81 H ASP 15 H ASP 15 -15.451 -0.364 -9.194 82 HA ASP 15 HA ASP 15 -17.721 1.233 -8.879 83 1HB ASP 15 2HB ASP 15 -17.197 -1.278 -9.853 84 2HB ASP 15 1HB ASP 15 -18.178 -1.621 -8.436 85 H ALA 16 H ALA 16 -18.809 1.907 -7.090 86 HA ALA 16 HA ALA 16 -18.021 1.021 -4.457 87 1HB ALA 16 1HB ALA 16 -19.549 3.170 -5.585 88 2HB ALA 16 2HB ALA 16 -18.912 3.023 -3.947 89 3HB ALA 16 3HB ALA 16 -20.512 2.389 -4.332 90 H ALA 17 H ALA 17 -20.146 -0.219 -6.785 91 HA ALA 17 HA ALA 17 -22.191 -1.280 -5.039 92 1HB ALA 17 1HB ALA 17 -21.270 -2.083 -7.815 93 2HB ALA 17 2HB ALA 17 -22.663 -1.083 -7.402 94 3HB ALA 17 3HB ALA 17 -22.661 -2.800 -7.001 95 H THR 18 H THR 18 -18.938 -2.166 -5.715 96 HA THR 18 HA THR 18 -19.181 -4.468 -3.895 97 HB THR 18 HB THR 18 -19.602 -5.667 -5.903 98 HG1 THR 18 HG1 THR 18 -17.729 -6.343 -4.597 99 1HG2 THR 18 1HG2 THR 18 -18.627 -5.216 -7.998 100 2HG2 THR 18 2HG2 THR 18 -17.270 -4.348 -7.280 101 3HG2 THR 18 3HG2 THR 18 -18.873 -3.612 -7.308 102 H CYS 19 H CYS 19 -17.852 -1.829 -3.963 103 HA CYS 19 HA CYS 19 -15.707 -0.849 -3.758 104 1HB CYS 19 2HB CYS 19 -14.387 -2.020 -1.964 105 2HB CYS 19 1HB CYS 19 -16.065 -1.708 -1.537 106 H LYS 20 H LYS 20 -15.901 -2.759 -6.071 107 HA LYS 20 HA LYS 20 -13.035 -3.595 -6.098 108 1HB LYS 20 2HB LYS 20 -15.435 -4.770 -7.507 109 2HB LYS 20 1HB LYS 20 -13.778 -5.132 -7.997 110 1HG LYS 20 2HG LYS 20 -13.278 -6.223 -5.989 111 2HG LYS 20 1HG LYS 20 -14.592 -5.432 -5.117 112 1HD LYS 20 2HD LYS 20 -15.705 -7.387 -5.458 113 2HD LYS 20 1HD LYS 20 -15.965 -6.757 -7.086 114 1HE LYS 20 2HE LYS 20 -14.670 -8.366 -7.978 115 2HE LYS 20 1HE LYS 20 -13.343 -7.963 -6.888 116 1HZ LYS 20 1HZ LYS 20 -15.589 -9.390 -5.715 117 2HZ LYS 20 2HZ LYS 20 -13.922 -9.566 -5.437 118 3HZ LYS 20 3HZ LYS 20 -14.637 -10.273 -6.807 119 H LEU 21 H LEU 21 -12.358 -3.737 -8.643 120 HA LEU 21 HA LEU 21 -12.276 -1.022 -9.540 121 1HB LEU 21 2HB LEU 21 -11.487 -3.657 -10.707 122 2HB LEU 21 1HB LEU 21 -11.560 -2.250 -11.770 123 HG LEU 21 HG LEU 21 -10.102 -2.176 -9.128 124 1HD1 LEU 21 1HD1 LEU 21 -8.446 -3.433 -9.982 125 2HD1 LEU 21 2HD1 LEU 21 -8.299 -2.315 -11.338 126 3HD1 LEU 21 3HD1 LEU 21 -9.396 -3.691 -11.445 127 1HD2 LEU 21 1HD2 LEU 21 -8.914 -0.522 -11.049 128 2HD2 LEU 21 2HD2 LEU 21 -9.950 -0.011 -9.717 129 3HD2 LEU 21 3HD2 LEU 21 -10.650 -0.335 -11.303 130 H ARG 22 H ARG 22 -13.757 0.118 -10.669 131 HA ARG 22 HA ARG 22 -16.177 -1.249 -11.605 132 1HB ARG 22 2HB ARG 22 -16.867 0.728 -10.688 133 2HB ARG 22 1HB ARG 22 -15.371 1.563 -11.072 134 1HG ARG 22 2HG ARG 22 -16.059 1.967 -13.318 135 2HG ARG 22 1HG ARG 22 -17.362 0.783 -13.211 136 1HD ARG 22 2HD ARG 22 -17.996 2.482 -11.153 137 2HD ARG 22 1HD ARG 22 -17.306 3.596 -12.332 138 HE ARG 22 HE ARG 22 -19.262 1.744 -13.471 139 1HH1 ARG 22 1HH2 ARG 22 -18.888 4.588 -11.577 140 2HH1 ARG 22 2HH2 ARG 22 -20.229 5.410 -12.299 141 1HH2 ARG 22 1HH1 ARG 22 -20.915 2.870 -14.557 142 2HH2 ARG 22 2HH1 ARG 22 -21.378 4.439 -13.985 143 HA PRO 23 HA PRO 23 -14.637 0.353 -15.815 144 1HB PRO 23 2HB PRO 23 -12.216 1.645 -15.917 145 2HB PRO 23 1HB PRO 23 -13.756 2.480 -15.648 146 1HG PRO 23 2HG PRO 23 -11.594 1.851 -13.693 147 2HG PRO 23 1HG PRO 23 -12.782 3.165 -13.668 148 1HD PRO 23 2HD PRO 23 -12.912 0.789 -12.142 149 2HD PRO 23 1HD PRO 23 -14.237 1.945 -12.392 150 H GLY 24 H GLY 24 -12.347 0.020 -17.226 151 1HA GLY 24 2HA GLY 24 -11.528 -2.726 -16.496 152 2HA GLY 24 1HA GLY 24 -11.201 -1.923 -18.034 153 H ALA 25 H ALA 25 -10.598 -0.073 -15.200 154 HA ALA 25 HA ALA 25 -7.862 0.359 -15.807 155 1HB ALA 25 1HB ALA 25 -7.724 1.444 -13.635 156 2HB ALA 25 2HB ALA 25 -9.181 0.613 -13.089 157 3HB ALA 25 3HB ALA 25 -9.286 1.833 -14.357 158 H GLN 26 H GLN 26 -6.139 -0.134 -13.955 159 HA GLN 26 HA GLN 26 -6.337 -3.065 -13.396 160 1HB GLN 26 2HB GLN 26 -4.311 -1.483 -14.673 161 2HB GLN 26 1HB GLN 26 -3.643 -2.203 -13.209 162 1HG GLN 26 2HG GLN 26 -3.754 -4.312 -14.053 163 2HG GLN 26 1HG GLN 26 -5.323 -4.025 -14.810 164 1HE2 GLN 26 1HE2 GLN 26 -5.286 -3.853 -17.058 165 2HE2 GLN 26 2HE2 GLN 26 -3.908 -3.497 -17.983 166 H CYS 27 H CYS 27 -6.696 -0.211 -11.877 167 HA CYS 27 HA CYS 27 -6.422 -1.249 -9.251 168 1HB CYS 27 2HB CYS 27 -4.401 -0.226 -8.458 169 2HB CYS 27 1HB CYS 27 -3.974 -1.107 -9.925 170 H GLY 28 H GLY 28 -7.078 0.328 -7.660 171 1HA GLY 28 2HA GLY 28 -8.021 2.901 -8.865 172 2HA GLY 28 1HA GLY 28 -8.984 1.997 -7.697 173 H GLU 29 H GLU 29 -6.171 1.396 -6.415 174 HA GLU 29 HA GLU 29 -5.180 3.891 -5.425 175 1HB GLU 29 2HB GLU 29 -6.170 3.987 -3.234 176 2HB GLU 29 1HB GLU 29 -7.495 3.870 -4.391 177 1HG GLU 29 2HG GLU 29 -7.633 1.442 -4.001 178 2HG GLU 29 1HG GLU 29 -6.299 1.547 -2.853 179 H GLY 30 H GLY 30 -3.214 3.469 -4.525 180 1HA GLY 30 2HA GLY 30 -2.602 1.314 -2.785 181 2HA GLY 30 1HA GLY 30 -2.150 0.832 -4.420 182 H LEU 31 H LEU 31 0.027 0.921 -3.044 183 HA LEU 31 HA LEU 31 1.168 3.507 -2.522 184 1HB LEU 31 2HB LEU 31 1.991 0.769 -2.334 185 2HB LEU 31 1HB LEU 31 3.266 1.720 -3.087 186 HG LEU 31 HG LEU 31 3.436 1.687 -0.594 187 1HD1 LEU 31 1HD1 LEU 31 3.974 3.971 -0.413 188 2HD1 LEU 31 2HD1 LEU 31 2.647 4.462 -1.467 189 3HD1 LEU 31 3HD1 LEU 31 4.072 3.678 -2.149 190 1HD2 LEU 31 1HD2 LEU 31 1.207 3.558 -0.231 191 2HD2 LEU 31 2HD2 LEU 31 1.658 2.153 0.735 192 3HD2 LEU 31 3HD2 LEU 31 0.677 1.948 -0.716 193 H CYS 32 H CYS 32 0.661 1.707 -5.403 194 HA CYS 32 HA CYS 32 2.048 3.818 -6.945 195 1HB CYS 32 2HB CYS 32 2.532 1.050 -7.921 196 2HB CYS 32 1HB CYS 32 3.577 2.467 -8.001 197 H CYS 33 H CYS 33 -0.603 3.823 -6.887 198 HA CYS 33 HA CYS 33 -1.449 2.265 -9.295 199 1HB CYS 33 2HB CYS 33 -2.802 1.630 -7.401 200 2HB CYS 33 1HB CYS 33 -3.091 3.314 -6.973 201 H GLU 34 H GLU 34 -1.054 3.672 -10.958 202 HA GLU 34 HA GLU 34 -1.364 6.515 -10.802 203 1HB GLU 34 2HB GLU 34 -0.299 4.775 -12.630 204 2HB GLU 34 1HB GLU 34 -1.768 5.304 -13.442 205 1HG GLU 34 2HG GLU 34 -1.116 7.553 -13.458 206 2HG GLU 34 1HG GLU 34 0.030 7.325 -12.135 207 H GLN 35 H GLN 35 -2.969 7.364 -12.817 208 HA GLN 35 HA GLN 35 -5.569 7.302 -11.692 209 1HB GLN 35 2HB GLN 35 -4.504 8.936 -13.431 210 2HB GLN 35 1HB GLN 35 -5.118 7.793 -14.626 211 1HG GLN 35 2HG GLN 35 -7.349 8.196 -14.064 212 2HG GLN 35 1HG GLN 35 -6.940 8.790 -12.454 213 1HE2 GLN 35 1HE2 GLN 35 -8.593 10.456 -13.860 214 2HE2 GLN 35 2HE2 GLN 35 -7.748 11.799 -14.464 215 H CYS 36 H CYS 36 -6.137 5.073 -11.373 216 HA CYS 36 HA CYS 36 -7.166 3.051 -11.983 217 1HB CYS 36 2HB CYS 36 -7.962 5.018 -14.031 218 2HB CYS 36 1HB CYS 36 -8.047 3.342 -14.566 219 H LYS 37 H LYS 37 -4.364 3.123 -12.338 220 HA LYS 37 HA LYS 37 -4.076 1.069 -14.405 221 1HB LYS 37 2HB LYS 37 -3.524 3.800 -15.053 222 2HB LYS 37 1HB LYS 37 -1.993 2.927 -14.999 223 1HG LYS 37 2HG LYS 37 -2.456 1.982 -16.984 224 2HG LYS 37 1HG LYS 37 -3.911 1.256 -16.299 225 1HD LYS 37 2HD LYS 37 -4.610 3.928 -16.649 226 2HD LYS 37 1HD LYS 37 -3.658 3.548 -18.086 227 1HE LYS 37 2HE LYS 37 -5.982 1.887 -17.067 228 2HE LYS 37 1HE LYS 37 -6.077 3.044 -18.397 229 1HZ LYS 37 1HZ LYS 37 -4.135 1.707 -19.359 230 2HZ LYS 37 2HZ LYS 37 -5.693 1.037 -19.451 231 3HZ LYS 37 3HZ LYS 37 -4.600 0.495 -18.268 232 H PHE 38 H PHE 38 -2.284 -0.235 -14.011 233 HA PHE 38 HA PHE 38 -1.068 -0.133 -11.413 234 1HB PHE 38 2HB PHE 38 -0.746 -1.754 -13.890 235 2HB PHE 38 1HB PHE 38 0.630 -1.729 -12.789 236 HD1 PHE 38 HD1 PHE 38 -0.430 -1.675 -10.144 237 HD2 PHE 38 HD2 PHE 38 -2.001 -3.684 -13.601 238 HE1 PHE 38 HE1 PHE 38 -1.583 -3.309 -8.675 239 HE2 PHE 38 HE2 PHE 38 -3.156 -5.313 -12.130 240 HZ PHE 38 HZ PHE 38 -2.948 -5.124 -9.667 241 H SER 39 H SER 39 0.686 1.066 -10.752 242 HA SER 39 HA SER 39 1.911 3.027 -12.359 243 1HB SER 39 2HB SER 39 2.557 1.764 -9.769 244 2HB SER 39 1HB SER 39 3.908 2.513 -10.601 245 HG SER 39 HG SER 39 3.011 4.424 -10.351 246 H ARG 40 H ARG 40 3.934 3.042 -13.498 247 HA ARG 40 HA ARG 40 4.580 0.508 -14.747 248 1HB ARG 40 2HB ARG 40 6.156 3.043 -14.998 249 2HB ARG 40 1HB ARG 40 6.024 1.737 -16.167 250 1HG ARG 40 2HG ARG 40 3.677 3.443 -15.298 251 2HG ARG 40 1HG ARG 40 4.648 3.783 -16.730 252 1HD ARG 40 2HD ARG 40 4.148 1.333 -17.405 253 2HD ARG 40 1HD ARG 40 2.871 1.407 -16.190 254 HE ARG 40 HE ARG 40 2.821 3.627 -18.101 255 1HH1 ARG 40 1HH1 ARG 40 2.079 0.298 -17.680 256 2HH1 ARG 40 2HH1 ARG 40 0.579 0.381 -18.542 257 1HH2 ARG 40 1HH2 ARG 40 0.769 3.802 -19.077 258 2HH2 ARG 40 2HH2 ARG 40 -0.163 2.364 -19.334 259 H ALA 41 H ALA 41 6.330 -0.815 -14.275 260 HA ALA 41 HA ALA 41 7.509 -0.900 -11.777 261 1HB ALA 41 1HB ALA 41 9.603 -1.764 -13.323 262 2HB ALA 41 2HB ALA 41 8.249 -1.928 -14.441 263 3HB ALA 41 3HB ALA 41 8.213 -2.758 -12.885 264 H GLY 42 H GLY 42 9.436 -0.062 -10.860 265 1HA GLY 42 2HA GLY 42 11.414 1.332 -10.924 266 2HA GLY 42 1HA GLY 42 10.764 2.108 -12.357 267 H LYS 43 H LYS 43 8.500 1.496 -9.844 268 HA LYS 43 HA LYS 43 8.450 4.409 -9.265 269 1HB LYS 43 2HB LYS 43 6.310 3.694 -9.993 270 2HB LYS 43 1HB LYS 43 6.390 2.220 -9.033 271 1HG LYS 43 2HG LYS 43 4.899 3.777 -7.918 272 2HG LYS 43 1HG LYS 43 6.368 3.634 -6.964 273 1HD LYS 43 2HD LYS 43 6.907 5.810 -7.279 274 2HD LYS 43 1HD LYS 43 6.559 5.721 -9.006 275 1HE LYS 43 2HE LYS 43 4.054 5.516 -7.756 276 2HE LYS 43 1HE LYS 43 4.907 6.772 -6.859 277 1HZ LYS 43 1HZ LYS 43 3.623 7.456 -8.935 278 2HZ LYS 43 2HZ LYS 43 4.892 6.742 -9.812 279 3HZ LYS 43 3HZ LYS 43 5.206 8.040 -8.764 280 H ILE 44 H ILE 44 9.145 5.107 -7.272 281 HA ILE 44 HA ILE 44 9.976 3.082 -5.311 282 HB ILE 44 HB ILE 44 11.384 5.070 -5.740 283 1HG1 ILE 44 2HG1 ILE 44 11.706 5.711 -3.359 284 2HG1 ILE 44 1HG1 ILE 44 10.163 4.957 -2.960 285 1HG2 ILE 44 1HG2 ILE 44 9.167 6.482 -6.005 286 2HG2 ILE 44 2HG2 ILE 44 10.642 7.244 -5.411 287 3HG2 ILE 44 3HG2 ILE 44 9.383 6.752 -4.277 288 1HD1 ILE 44 1HD1 ILE 44 11.673 3.063 -4.457 289 2HD1 ILE 44 2HD1 ILE 44 11.196 2.972 -2.762 290 3HD1 ILE 44 3HD1 ILE 44 12.731 3.717 -3.207 291 H CYS 45 H CYS 45 8.217 2.188 -4.340 292 HA CYS 45 HA CYS 45 5.906 3.759 -3.478 293 1HB CYS 45 2HB CYS 45 5.256 1.587 -2.378 294 2HB CYS 45 1HB CYS 45 5.539 1.463 -4.110 295 H ARG 46 H ARG 46 9.004 3.235 -2.179 296 HA ARG 46 HA ARG 46 8.162 4.443 0.343 297 1HB ARG 46 2HB ARG 46 8.259 1.603 0.126 298 2HB ARG 46 1HB ARG 46 9.593 2.113 1.162 299 1HG ARG 46 2HG ARG 46 8.184 2.633 2.842 300 2HG ARG 46 1HG ARG 46 7.174 3.603 1.769 301 1HD ARG 46 2HD ARG 46 5.742 1.859 1.308 302 2HD ARG 46 1HD ARG 46 7.003 0.640 1.489 303 HE ARG 46 HE ARG 46 6.609 0.634 3.855 304 1HH1 ARG 46 1HH1 ARG 46 5.415 3.564 2.655 305 2HH1 ARG 46 2HH1 ARG 46 4.061 3.641 3.733 306 1HH2 ARG 46 1HH2 ARG 46 4.573 0.467 5.031 307 2HH2 ARG 46 2HH2 ARG 46 3.584 1.888 5.077 308 H ILE 47 H ILE 47 10.160 4.281 1.954 309 HA ILE 47 HA ILE 47 12.645 4.837 0.381 310 HB ILE 47 HB ILE 47 11.556 6.896 1.322 311 1HG1 ILE 47 2HG1 ILE 47 13.625 7.644 2.628 312 2HG1 ILE 47 1HG1 ILE 47 14.236 6.003 2.414 313 1HG2 ILE 47 1HG2 ILE 47 12.050 5.409 3.914 314 2HG2 ILE 47 2HG2 ILE 47 10.508 6.002 3.294 315 3HG2 ILE 47 3HG2 ILE 47 11.738 7.143 3.840 316 1HD1 ILE 47 1HD1 ILE 47 13.658 8.081 0.307 317 2HD1 ILE 47 2HD1 ILE 47 13.736 6.367 -0.104 318 3HD1 ILE 47 3HD1 ILE 47 15.146 7.175 0.580 319 H ALA 48 H ALA 48 14.653 4.370 1.628 320 HA ALA 48 HA ALA 48 14.190 2.301 3.706 321 1HB ALA 48 1HB ALA 48 16.374 2.493 1.636 322 2HB ALA 48 2HB ALA 48 15.078 1.297 1.692 323 3HB ALA 48 3HB ALA 48 16.334 1.296 2.931 324 H ARG 49 H ARG 49 14.921 2.806 5.677 325 HA ARG 49 HA ARG 49 17.238 4.679 5.878 326 1HB ARG 49 2HB ARG 49 16.245 5.576 7.912 327 2HB ARG 49 1HB ARG 49 15.184 5.838 6.529 328 1HG ARG 49 2HG ARG 49 14.624 3.267 7.702 329 2HG ARG 49 1HG ARG 49 14.547 4.509 8.950 330 1HD ARG 49 2HD ARG 49 12.662 5.420 8.079 331 2HD ARG 49 1HD ARG 49 13.280 5.321 6.430 332 HE ARG 49 HE ARG 49 12.162 3.251 6.191 333 1HH1 ARG 49 1HH2 ARG 49 10.082 4.184 8.061 334 2HH1 ARG 49 2HH2 ARG 49 10.067 2.949 9.276 335 1HH2 ARG 49 1HH1 ARG 49 13.155 1.654 8.374 336 2HH2 ARG 49 2HH1 ARG 49 11.808 1.518 9.454 337 H GLY 50 H GLY 50 15.897 1.690 6.722 338 1HA GLY 50 2HA GLY 50 17.943 1.283 8.838 339 2HA GLY 50 1HA GLY 50 16.434 0.363 8.753 340 H ASP 51 H ASP 51 16.211 -1.212 7.091 341 HA ASP 51 HA ASP 51 18.628 -2.414 6.084 342 1HB ASP 51 2HB ASP 51 15.740 -2.816 5.851 343 2HB ASP 51 1HB ASP 51 16.612 -3.187 4.374 344 H TRP 52 H TRP 52 18.608 -2.539 3.359 345 HA TRP 52 HA TRP 52 17.663 0.065 2.431 346 1HB TRP 52 2HB TRP 52 20.552 -0.633 2.670 347 2HB TRP 52 1HB TRP 52 19.994 0.542 1.465 348 HD1 TRP 52 HD1 TRP 52 17.940 2.234 2.684 349 HE1 TRP 52 HE1 TRP 52 18.234 3.606 4.810 350 HE3 TRP 52 HE3 TRP 52 21.723 -0.362 4.857 351 HZ2 TRP 52 HZ2 TRP 52 19.808 3.609 7.135 352 HZ3 TRP 52 HZ3 TRP 52 22.606 0.347 7.077 353 HH2 TRP 52 HH2 TRP 52 21.637 2.334 8.224 354 H ASN 53 H ASN 53 16.295 -0.981 1.188 355 HA ASN 53 HA ASN 53 17.275 -1.785 -1.452 356 1HB ASN 53 2HB ASN 53 16.725 -3.809 0.388 357 2HB ASN 53 1HB ASN 53 15.209 -3.645 -0.499 358 1HD2 ASN 53 1HD2 ASN 53 17.211 -5.877 -0.681 359 2HD2 ASN 53 2HD2 ASN 53 17.683 -5.930 -2.311 360 H ASP 54 H ASP 54 16.203 0.181 -2.028 361 HA ASP 54 HA ASP 54 13.648 0.994 -1.165 362 1HB ASP 54 2HB ASP 54 13.610 2.115 -3.552 363 2HB ASP 54 1HB ASP 54 14.791 2.643 -2.353 364 H ASP 55 H ASP 55 11.591 0.403 -1.707 365 HA ASP 55 HA ASP 55 11.256 -1.985 -3.372 366 1HB ASP 55 2HB ASP 55 9.414 -0.339 -1.686 367 2HB ASP 55 1HB ASP 55 8.790 -1.584 -2.760 368 H ARG 56 H ARG 56 11.500 -1.489 -5.515 369 HA ARG 56 HA ARG 56 10.218 0.939 -6.612 370 1HB ARG 56 2HB ARG 56 12.598 -0.151 -7.154 371 2HB ARG 56 1HB ARG 56 11.635 -1.053 -8.325 372 1HG ARG 56 2HG ARG 56 12.401 0.927 -9.435 373 2HG ARG 56 1HG ARG 56 10.688 1.160 -9.092 374 1HD ARG 56 2HD ARG 56 12.347 3.092 -8.534 375 2HD ARG 56 1HD ARG 56 11.110 2.669 -7.352 376 HE ARG 56 HE ARG 56 12.832 1.551 -6.031 377 1HH1 ARG 56 1HH2 ARG 56 14.298 1.689 -8.973 378 2HH1 ARG 56 2HH2 ARG 56 15.775 2.415 -8.438 379 1HH2 ARG 56 1HH1 ARG 56 14.577 3.149 -5.268 380 2HH2 ARG 56 2HH1 ARG 56 15.934 3.242 -6.340 381 H CYS 57 H CYS 57 8.006 0.287 -6.402 382 HA CYS 57 HA CYS 57 6.488 -1.818 -6.920 383 1HB CYS 57 2HB CYS 57 5.939 0.452 -8.811 384 2HB CYS 57 1HB CYS 57 4.798 -0.519 -7.893 385 H THR 58 H THR 58 6.129 -3.353 -8.457 386 HA THR 58 HA THR 58 7.970 -3.554 -10.692 387 HB THR 58 HB THR 58 7.018 -5.699 -11.052 388 HG1 THR 58 HG1 THR 58 4.964 -6.211 -10.413 389 1HG2 THR 58 1HG2 THR 58 7.469 -4.793 -8.334 390 2HG2 THR 58 2HG2 THR 58 7.891 -6.336 -9.076 391 3HG2 THR 58 3HG2 THR 58 6.293 -6.107 -8.367 392 H GLY 59 H GLY 59 6.188 -4.675 -12.650 393 1HA GLY 59 2HA GLY 59 5.034 -2.141 -13.682 394 2HA GLY 59 1HA GLY 59 5.398 -3.568 -14.651 395 H GLN 60 H GLN 60 3.943 -4.648 -11.869 396 HA GLN 60 HA GLN 60 1.170 -4.233 -12.827 397 1HB GLN 60 2HB GLN 60 2.482 -6.949 -12.518 398 2HB GLN 60 1HB GLN 60 0.743 -6.705 -12.688 399 1HG GLN 60 2HG GLN 60 1.668 -5.225 -14.782 400 2HG GLN 60 1HG GLN 60 2.882 -6.504 -14.720 401 1HE2 GLN 60 1HE2 GLN 60 0.934 -8.498 -13.606 402 2HE2 GLN 60 2HE2 GLN 60 -0.072 -8.926 -14.905 403 H SER 61 H SER 61 2.955 -3.647 -10.389 404 HA SER 61 HA SER 61 1.232 -4.996 -8.350 405 1HB SER 61 2HB SER 61 3.436 -5.583 -7.799 406 2HB SER 61 1HB SER 61 4.078 -4.020 -8.295 407 HG SER 61 HG SER 61 3.019 -4.826 -5.899 408 H ALA 62 H ALA 62 -0.136 -3.711 -7.208 409 HA ALA 62 HA ALA 62 0.122 -0.763 -7.550 410 1HB ALA 62 1HB ALA 62 -2.069 -1.596 -8.140 411 2HB ALA 62 2HB ALA 62 -2.226 -0.752 -6.599 412 3HB ALA 62 3HB ALA 62 -2.180 -2.515 -6.638 413 H ASP 63 H ASP 63 0.385 -3.316 -5.217 414 HA ASP 63 HA ASP 63 0.376 -1.391 -2.964 415 1HB ASP 63 2HB ASP 63 0.899 -4.326 -2.730 416 2HB ASP 63 1HB ASP 63 0.231 -3.236 -1.524 417 H CYS 64 H CYS 64 2.263 -2.287 -1.272 418 HA CYS 64 HA CYS 64 4.776 -2.632 -2.801 419 1HB CYS 64 2HB CYS 64 4.583 -0.229 -2.685 420 2HB CYS 64 1HB CYS 64 4.206 -0.292 -0.965 421 HA PRO 65 HA PRO 65 5.452 -5.149 0.756 422 1HB PRO 65 2HB PRO 65 7.785 -6.206 -0.210 423 2HB PRO 65 1HB PRO 65 6.191 -6.768 -0.714 424 1HG PRO 65 2HG PRO 65 8.180 -5.139 -2.202 425 2HG PRO 65 1HG PRO 65 6.868 -6.151 -2.826 426 1HD PRO 65 2HD PRO 65 6.858 -3.320 -2.597 427 2HD PRO 65 1HD PRO 65 5.472 -4.359 -2.994 428 H ARG 66 H ARG 66 6.600 -4.697 2.646 429 HA ARG 66 HA ARG 66 8.453 -2.449 2.625 430 1HB ARG 66 2HB ARG 66 6.784 -3.753 4.555 431 2HB ARG 66 1HB ARG 66 8.437 -3.718 5.170 432 1HG ARG 66 2HG ARG 66 8.567 -1.309 4.798 433 2HG ARG 66 1HG ARG 66 6.964 -1.310 4.064 434 1HD ARG 66 2HD ARG 66 6.547 -0.627 6.282 435 2HD ARG 66 1HD ARG 66 6.174 -2.350 6.308 436 HE ARG 66 HE ARG 66 8.856 -1.356 7.177 437 1HH1 ARG 66 1HH2 ARG 66 6.966 -1.226 9.402 438 2HH1 ARG 66 2HH2 ARG 66 7.037 -2.816 10.087 439 1HH2 ARG 66 1HH1 ARG 66 8.515 -4.242 7.294 440 2HH2 ARG 66 2HH1 ARG 66 7.915 -4.522 8.893 441 H TYR 67 H TYR 67 10.673 -2.552 3.157 442 HA TYR 67 HA TYR 67 11.854 -5.252 3.415 443 1HB TYR 67 2HB TYR 67 12.017 -3.620 1.115 444 2HB TYR 67 1HB TYR 67 13.597 -3.564 1.892 445 HD1 TYR 67 HD1 TYR 67 15.104 -5.150 1.115 446 HD2 TYR 67 HD2 TYR 67 10.936 -6.161 1.341 447 HE1 TYR 67 HE1 TYR 67 15.609 -7.424 0.262 448 HE2 TYR 67 HE2 TYR 67 11.441 -8.434 0.490 449 HH TYR 67 HH TYR 67 14.565 -9.270 -0.776 450 H HIS 68 HN HIS 68 11.483 -2.332 4.811 451 HA HIS 68 HA HIS 68 13.930 -2.667 6.416 452 1HB HIS 68 2HB HIS 68 14.100 0.021 6.091 453 2HB HIS 68 1HB HIS 68 15.031 -1.124 5.126 454 HD1 HIS 68 HD1 HIS 68 14.489 -1.287 2.650 455 HD2 HIS 68 HD2 HIS 68 11.723 1.032 4.733 456 HE1 HIS 68 HE1 HIS 68 13.017 -0.191 0.905 Start of MODEL 5 1 1H GLY 1 1HT GLY 1 -14.282 -15.344 -4.567 2 2H GLY 1 2HT GLY 1 -12.702 -14.721 -4.563 3 3H GLY 1 3HT GLY 1 -13.280 -15.567 -5.917 4 1HA GLY 1 1HA GLY 1 -13.977 -13.684 -6.811 5 2HA GLY 1 2HA GLY 1 -15.067 -13.487 -5.440 6 H LYS 2 H LYS 2 -14.743 -11.636 -4.319 7 HA LYS 2 HA LYS 2 -12.137 -10.757 -3.462 8 1HB LYS 2 2HB LYS 2 -12.745 -10.029 -6.081 9 2HB LYS 2 1HB LYS 2 -13.164 -8.596 -5.141 10 1HG LYS 2 2HG LYS 2 -10.853 -8.346 -5.670 11 2HG LYS 2 1HG LYS 2 -10.891 -8.876 -3.988 12 1HD LYS 2 2HD LYS 2 -10.224 -11.065 -4.531 13 2HD LYS 2 1HD LYS 2 -10.694 -10.887 -6.221 14 1HE LYS 2 2HE LYS 2 -8.869 -8.977 -6.207 15 2HE LYS 2 1HE LYS 2 -8.246 -9.872 -4.821 16 1HZ LYS 2 1HZ LYS 2 -7.220 -10.688 -6.806 17 2HZ LYS 2 2HZ LYS 2 -8.728 -10.935 -7.551 18 3HZ LYS 2 3HZ LYS 2 -8.268 -11.884 -6.219 19 H GLU 3 H GLU 3 -12.945 -7.902 -3.430 20 HA GLU 3 HA GLU 3 -15.518 -7.739 -2.093 21 1HB GLU 3 2HB GLU 3 -13.624 -8.756 -0.471 22 2HB GLU 3 1HB GLU 3 -13.338 -7.035 -0.237 23 1HG GLU 3 2HG GLU 3 -15.067 -7.020 1.203 24 2HG GLU 3 1HG GLU 3 -16.126 -7.309 -0.177 25 H CYS 4 H CYS 4 -14.742 -5.511 -0.428 26 HA CYS 4 HA CYS 4 -15.016 -3.360 -2.262 27 1HB CYS 4 2HB CYS 4 -14.142 -3.585 0.592 28 2HB CYS 4 1HB CYS 4 -13.959 -2.043 -0.220 29 H ASP 5 H ASP 5 -13.419 -3.693 -3.919 30 HA ASP 5 HA ASP 5 -10.641 -4.009 -3.545 31 1HB ASP 5 2HB ASP 5 -11.756 -4.143 -5.758 32 2HB ASP 5 1HB ASP 5 -12.006 -2.395 -5.718 33 H CYS 6 H CYS 6 -12.633 -1.081 -3.495 34 HA CYS 6 HA CYS 6 -10.220 0.368 -2.480 35 1HB CYS 6 2HB CYS 6 -10.829 2.307 -3.650 36 2HB CYS 6 1HB CYS 6 -11.233 1.034 -4.793 37 H SER 7 H SER 7 -11.013 2.399 -1.153 38 HA SER 7 HA SER 7 -13.199 1.435 0.646 39 1HB SER 7 2HB SER 7 -12.070 2.527 2.469 40 2HB SER 7 1HB SER 7 -10.859 1.582 1.607 41 HG SER 7 HG SER 7 -11.034 4.263 1.982 42 H SER 8 H SER 8 -12.121 3.985 -1.413 43 HA SER 8 HA SER 8 -14.075 5.894 -0.276 44 1HB SER 8 2HB SER 8 -11.633 6.113 -1.769 45 2HB SER 8 1HB SER 8 -12.923 6.946 -2.628 46 HG SER 8 HG SER 8 -12.126 7.286 0.078 47 HA PRO 9 HA PRO 9 -17.010 4.568 -3.330 48 1HB PRO 9 2HB PRO 9 -18.919 6.457 -2.735 49 2HB PRO 9 1HB PRO 9 -18.643 5.002 -1.763 50 1HG PRO 9 2HG PRO 9 -17.889 7.825 -1.169 51 2HG PRO 9 1HG PRO 9 -18.221 6.492 -0.049 52 1HD PRO 9 2HD PRO 9 -15.658 7.449 -0.771 53 2HD PRO 9 1HD PRO 9 -16.005 5.921 0.068 54 H GLU 10 H GLU 10 -15.380 7.579 -3.238 55 HA GLU 10 HA GLU 10 -16.673 8.577 -5.711 56 1HB GLU 10 2HB GLU 10 -14.753 9.715 -3.703 57 2HB GLU 10 1HB GLU 10 -14.837 10.426 -5.315 58 1HG GLU 10 2HG GLU 10 -16.480 11.672 -4.279 59 2HG GLU 10 1HG GLU 10 -17.460 10.308 -4.823 60 H ASN 11 H ASN 11 -13.866 6.833 -4.694 61 HA ASN 11 HA ASN 11 -12.058 7.478 -6.778 62 1HB ASN 11 2HB ASN 11 -11.835 5.930 -4.634 63 2HB ASN 11 1HB ASN 11 -12.244 4.661 -5.789 64 1HD2 ASN 11 1HD2 ASN 11 -9.925 3.929 -5.362 65 2HD2 ASN 11 2HD2 ASN 11 -8.677 4.671 -6.242 66 HA PRO 12 HA PRO 12 -14.402 5.659 -10.123 67 1HB PRO 12 2HB PRO 12 -12.653 6.429 -12.098 68 2HB PRO 12 1HB PRO 12 -13.851 7.516 -11.375 69 1HG PRO 12 2HG PRO 12 -10.901 7.428 -10.950 70 2HG PRO 12 1HG PRO 12 -12.019 8.793 -10.784 71 1HD PRO 12 2HD PRO 12 -10.943 7.258 -8.660 72 2HD PRO 12 1HD PRO 12 -12.297 8.403 -8.542 73 H CYS 13 H CYS 13 -11.338 4.821 -8.935 74 HA CYS 13 HA CYS 13 -10.714 2.757 -10.935 75 1HB CYS 13 2HB CYS 13 -9.510 3.165 -8.192 76 2HB CYS 13 1HB CYS 13 -8.816 2.263 -9.530 77 H CYS 14 H CYS 14 -13.156 2.874 -8.832 78 HA CYS 14 HA CYS 14 -13.148 -0.056 -8.561 79 1HB CYS 14 2HB CYS 14 -13.564 -0.008 -6.141 80 2HB CYS 14 1HB CYS 14 -11.996 0.704 -6.520 81 H ASP 15 H ASP 15 -15.099 -0.542 -9.413 82 HA ASP 15 HA ASP 15 -17.318 1.079 -9.771 83 1HB ASP 15 2HB ASP 15 -16.846 -1.466 -10.351 84 2HB ASP 15 1HB ASP 15 -17.799 -1.717 -8.895 85 H ALA 16 H ALA 16 -18.419 2.267 -8.280 86 HA ALA 16 HA ALA 16 -18.271 1.686 -5.454 87 1HB ALA 16 1HB ALA 16 -19.736 3.621 -5.193 88 2HB ALA 16 2HB ALA 16 -20.107 3.599 -6.916 89 3HB ALA 16 3HB ALA 16 -18.478 3.992 -6.371 90 H ALA 17 H ALA 17 -20.259 0.533 -7.967 91 HA ALA 17 HA ALA 17 -22.576 0.013 -6.212 92 1HB ALA 17 1HB ALA 17 -22.681 -1.389 -8.728 93 2HB ALA 17 2HB ALA 17 -22.184 0.281 -9.000 94 3HB ALA 17 3HB ALA 17 -23.696 -0.063 -8.160 95 H THR 18 H THR 18 -19.621 -1.459 -6.839 96 HA THR 18 HA THR 18 -20.664 -4.037 -5.765 97 HB THR 18 HB THR 18 -19.307 -5.306 -7.351 98 HG1 THR 18 HG1 THR 18 -18.236 -4.143 -9.017 99 1HG2 THR 18 1HG2 THR 18 -20.550 -3.517 -9.311 100 2HG2 THR 18 2HG2 THR 18 -21.619 -3.917 -7.966 101 3HG2 THR 18 3HG2 THR 18 -20.912 -5.204 -8.943 102 H CYS 19 H CYS 19 -18.756 -1.536 -5.127 103 HA CYS 19 HA CYS 19 -16.689 -1.230 -4.023 104 1HB CYS 19 2HB CYS 19 -18.358 -2.933 -2.538 105 2HB CYS 19 1HB CYS 19 -16.774 -3.657 -2.479 106 H LYS 20 H LYS 20 -15.750 -1.929 -6.234 107 HA LYS 20 HA LYS 20 -13.594 -3.785 -5.713 108 1HB LYS 20 2HB LYS 20 -16.024 -4.705 -7.105 109 2HB LYS 20 1HB LYS 20 -14.503 -5.086 -7.920 110 1HG LYS 20 2HG LYS 20 -13.786 -5.817 -5.467 111 2HG LYS 20 1HG LYS 20 -15.527 -6.010 -5.262 112 1HD LYS 20 2HD LYS 20 -13.699 -7.422 -7.207 113 2HD LYS 20 1HD LYS 20 -14.798 -8.129 -6.024 114 1HE LYS 20 2HE LYS 20 -15.579 -6.633 -8.544 115 2HE LYS 20 1HE LYS 20 -15.780 -8.359 -8.240 116 1HZ LYS 20 1HZ LYS 20 -17.337 -7.902 -6.519 117 2HZ LYS 20 2HZ LYS 20 -17.815 -7.008 -7.882 118 3HZ LYS 20 3HZ LYS 20 -17.031 -6.236 -6.587 119 H LEU 21 H LEU 21 -12.286 -4.053 -7.854 120 HA LEU 21 HA LEU 21 -11.739 -1.472 -8.899 121 1HB LEU 21 2HB LEU 21 -10.963 -4.240 -9.598 122 2HB LEU 21 1HB LEU 21 -10.858 -3.065 -10.909 123 HG LEU 21 HG LEU 21 -9.612 -2.683 -8.177 124 1HD1 LEU 21 1HD1 LEU 21 -7.586 -3.425 -9.014 125 2HD1 LEU 21 2HD1 LEU 21 -8.029 -3.062 -10.681 126 3HD1 LEU 21 3HD1 LEU 21 -8.691 -4.489 -9.883 127 1HD2 LEU 21 1HD2 LEU 21 -8.454 -1.075 -10.189 128 2HD2 LEU 21 2HD2 LEU 21 -9.391 -0.561 -8.791 129 3HD2 LEU 21 3HD2 LEU 21 -10.204 -0.898 -10.317 130 H ARG 22 H ARG 22 -12.146 -0.592 -10.957 131 HA ARG 22 HA ARG 22 -14.722 -1.458 -12.129 132 1HB ARG 22 2HB ARG 22 -14.471 0.944 -11.753 133 2HB ARG 22 1HB ARG 22 -12.939 0.954 -12.627 134 1HG ARG 22 2HG ARG 22 -13.980 0.609 -14.707 135 2HG ARG 22 1HG ARG 22 -15.459 -0.006 -13.968 136 1HD ARG 22 2HD ARG 22 -14.553 2.821 -13.465 137 2HD ARG 22 1HD ARG 22 -15.480 2.416 -14.910 138 HE ARG 22 HE ARG 22 -16.577 1.617 -12.264 139 1HH1 ARG 22 1HH1 ARG 22 -16.931 4.518 -12.553 140 2HH1 ARG 22 2HH1 ARG 22 -18.415 4.651 -13.437 141 1HH2 ARG 22 1HH2 ARG 22 -18.374 1.356 -14.516 142 2HH2 ARG 22 2HH2 ARG 22 -19.233 2.860 -14.548 143 HA PRO 23 HA PRO 23 -12.402 -3.802 -15.118 144 1HB PRO 23 2HB PRO 23 -14.480 -4.120 -16.917 145 2HB PRO 23 1HB PRO 23 -14.266 -5.098 -15.452 146 1HG PRO 23 2HG PRO 23 -16.126 -2.781 -15.918 147 2HG PRO 23 1HG PRO 23 -16.385 -4.250 -14.957 148 1HD PRO 23 2HD PRO 23 -15.738 -1.827 -13.806 149 2HD PRO 23 1HD PRO 23 -15.300 -3.385 -13.092 150 H GLY 24 H GLY 24 -11.250 -1.693 -15.463 151 1HA GLY 24 2HA GLY 24 -10.933 -1.053 -18.176 152 2HA GLY 24 1HA GLY 24 -11.957 0.202 -17.466 153 H ALA 25 H ALA 25 -9.482 -1.600 -15.714 154 HA ALA 25 HA ALA 25 -7.432 0.422 -15.871 155 1HB ALA 25 1HB ALA 25 -9.478 0.521 -13.706 156 2HB ALA 25 2HB ALA 25 -8.545 1.833 -14.422 157 3HB ALA 25 3HB ALA 25 -7.802 0.774 -13.225 158 H GLN 26 H GLN 26 -6.188 -0.079 -13.376 159 HA GLN 26 HA GLN 26 -6.112 -3.028 -13.118 160 1HB GLN 26 2HB GLN 26 -4.260 -1.630 -14.718 161 2HB GLN 26 1HB GLN 26 -3.402 -2.037 -13.233 162 1HG GLN 26 2HG GLN 26 -3.375 -4.242 -13.728 163 2HG GLN 26 1HG GLN 26 -5.068 -4.233 -14.219 164 1HE2 GLN 26 1HE2 GLN 26 -5.557 -3.844 -16.479 165 2HE2 GLN 26 2HE2 GLN 26 -4.349 -3.835 -17.670 166 H CYS 27 H CYS 27 -6.787 -0.652 -11.352 167 HA CYS 27 HA CYS 27 -5.718 -1.684 -8.945 168 1HB CYS 27 2HB CYS 27 -4.130 0.142 -8.335 169 2HB CYS 27 1HB CYS 27 -3.561 -0.844 -9.680 170 H GLY 28 H GLY 28 -7.046 -1.004 -7.356 171 1HA GLY 28 2HA GLY 28 -8.764 1.351 -7.914 172 2HA GLY 28 1HA GLY 28 -9.126 0.079 -6.754 173 H GLU 29 H GLU 29 -6.057 0.445 -6.050 174 HA GLU 29 HA GLU 29 -5.793 3.024 -4.879 175 1HB GLU 29 2HB GLU 29 -6.342 2.560 -2.547 176 2HB GLU 29 1HB GLU 29 -7.757 2.271 -3.560 177 1HG GLU 29 2HG GLU 29 -7.863 0.205 -2.664 178 2HG GLU 29 1HG GLU 29 -6.384 -0.170 -3.548 179 H GLY 30 H GLY 30 -3.733 3.263 -4.180 180 1HA GLY 30 2HA GLY 30 -2.123 1.347 -2.849 181 2HA GLY 30 1HA GLY 30 -1.781 1.233 -4.575 182 H LEU 31 H LEU 31 0.453 2.120 -3.845 183 HA LEU 31 HA LEU 31 0.237 5.052 -3.403 184 1HB LEU 31 2HB LEU 31 1.706 3.082 -2.090 185 2HB LEU 31 1HB LEU 31 2.872 3.989 -3.038 186 HG LEU 31 HG LEU 31 0.898 5.056 -1.045 187 1HD1 LEU 31 1HD1 LEU 31 3.355 5.957 -0.298 188 2HD1 LEU 31 2HD1 LEU 31 3.786 4.415 -1.040 189 3HD1 LEU 31 3HD1 LEU 31 2.642 4.459 0.301 190 1HD2 LEU 31 1HD2 LEU 31 1.236 6.531 -3.091 191 2HD2 LEU 31 2HD2 LEU 31 2.938 6.629 -2.645 192 3HD2 LEU 31 3HD2 LEU 31 1.705 7.277 -1.565 193 H CYS 32 H CYS 32 1.289 2.535 -5.478 194 HA CYS 32 HA CYS 32 2.472 4.505 -7.372 195 1HB CYS 32 2HB CYS 32 3.177 1.648 -6.759 196 2HB CYS 32 1HB CYS 32 3.524 2.317 -8.355 197 H CYS 33 H CYS 33 -0.199 4.424 -7.485 198 HA CYS 33 HA CYS 33 -0.727 2.774 -9.915 199 1HB CYS 33 2HB CYS 33 -2.003 1.511 -8.462 200 2HB CYS 33 1HB CYS 33 -2.235 2.843 -7.338 201 H GLU 34 H GLU 34 -0.945 4.292 -11.491 202 HA GLU 34 HA GLU 34 -1.659 7.013 -11.090 203 1HB GLU 34 2HB GLU 34 -0.765 5.562 -13.221 204 2HB GLU 34 1HB GLU 34 -2.447 5.832 -13.666 205 1HG GLU 34 2HG GLU 34 -1.961 8.305 -12.937 206 2HG GLU 34 1HG GLU 34 -0.277 7.848 -13.197 207 H GLN 35 H GLN 35 -3.778 7.668 -12.692 208 HA GLN 35 HA GLN 35 -6.028 7.159 -11.042 209 1HB GLN 35 2HB GLN 35 -7.359 8.062 -12.970 210 2HB GLN 35 1HB GLN 35 -5.989 9.077 -12.525 211 1HG GLN 35 2HG GLN 35 -4.724 7.584 -14.313 212 2HG GLN 35 1HG GLN 35 -6.357 7.349 -14.938 213 1HE2 GLN 35 1HE2 GLN 35 -4.619 8.759 -16.577 214 2HE2 GLN 35 2HE2 GLN 35 -5.014 10.410 -16.578 215 H CYS 36 H CYS 36 -6.185 4.887 -10.732 216 HA CYS 36 HA CYS 36 -6.956 2.729 -11.215 217 1HB CYS 36 2HB CYS 36 -8.246 3.784 -13.718 218 2HB CYS 36 1HB CYS 36 -8.845 2.573 -12.582 219 H LYS 37 H LYS 37 -4.361 3.259 -12.075 220 HA LYS 37 HA LYS 37 -4.137 1.338 -14.276 221 1HB LYS 37 2HB LYS 37 -4.130 4.144 -14.847 222 2HB LYS 37 1HB LYS 37 -2.501 3.520 -15.113 223 1HG LYS 37 2HG LYS 37 -4.437 1.645 -16.140 224 2HG LYS 37 1HG LYS 37 -4.738 3.244 -16.822 225 1HD LYS 37 2HD LYS 37 -2.433 3.417 -17.573 226 2HD LYS 37 1HD LYS 37 -2.019 1.904 -16.767 227 1HE LYS 37 2HE LYS 37 -4.243 1.915 -18.779 228 2HE LYS 37 1HE LYS 37 -2.573 1.913 -19.348 229 1HZ LYS 37 1HZ LYS 37 -2.169 -0.037 -17.938 230 2HZ LYS 37 2HZ LYS 37 -3.358 -0.332 -19.115 231 3HZ LYS 37 3HZ LYS 37 -3.806 -0.056 -17.499 232 H PHE 38 H PHE 38 -2.585 0.023 -13.416 233 HA PHE 38 HA PHE 38 -0.790 0.518 -11.370 234 1HB PHE 38 2HB PHE 38 -0.509 -1.193 -13.841 235 2HB PHE 38 1HB PHE 38 0.780 -1.115 -12.646 236 HD1 PHE 38 HD1 PHE 38 -0.840 -0.855 -10.131 237 HD2 PHE 38 HD2 PHE 38 -1.349 -3.386 -13.565 238 HE1 PHE 38 HE1 PHE 38 -2.021 -2.526 -8.729 239 HE2 PHE 38 HE2 PHE 38 -2.533 -5.052 -12.162 240 HZ PHE 38 HZ PHE 38 -2.868 -4.622 -9.743 241 H SER 39 H SER 39 0.776 2.071 -11.138 242 HA SER 39 HA SER 39 1.650 3.757 -13.262 243 1HB SER 39 2HB SER 39 3.381 3.208 -10.889 244 2HB SER 39 1HB SER 39 3.124 4.726 -11.735 245 HG SER 39 HG SER 39 0.841 4.401 -10.967 246 H ARG 40 H ARG 40 4.475 3.701 -13.108 247 HA ARG 40 HA ARG 40 4.966 1.254 -14.669 248 1HB ARG 40 2HB ARG 40 5.916 3.964 -14.788 249 2HB ARG 40 1HB ARG 40 7.281 2.858 -14.653 250 1HG ARG 40 2HG ARG 40 5.243 1.875 -16.500 251 2HG ARG 40 1HG ARG 40 5.885 3.444 -16.990 252 1HD ARG 40 2HD ARG 40 7.403 1.955 -17.977 253 2HD ARG 40 1HD ARG 40 8.212 2.373 -16.467 254 HE ARG 40 HE ARG 40 7.859 0.156 -15.716 255 1HH1 ARG 40 1HH1 ARG 40 8.044 -0.596 -18.626 256 2HH1 ARG 40 2HH1 ARG 40 6.619 -1.560 -18.834 257 1HH2 ARG 40 1HH2 ARG 40 5.116 -0.446 -15.915 258 2HH2 ARG 40 2HH2 ARG 40 4.961 -1.475 -17.300 259 H ALA 41 H ALA 41 6.365 -0.336 -13.955 260 HA ALA 41 HA ALA 41 6.948 -0.582 -11.203 261 1HB ALA 41 1HB ALA 41 7.852 -2.594 -11.767 262 2HB ALA 41 2HB ALA 41 8.867 -1.894 -13.026 263 3HB ALA 41 3HB ALA 41 7.169 -2.242 -13.353 264 H GLY 42 H GLY 42 9.641 -1.169 -10.915 265 1HA GLY 42 2HA GLY 42 11.574 0.002 -10.246 266 2HA GLY 42 1HA GLY 42 11.545 0.618 -11.902 267 H LYS 43 H LYS 43 8.860 1.209 -9.780 268 HA LYS 43 HA LYS 43 9.623 4.075 -9.693 269 1HB LYS 43 2HB LYS 43 7.500 3.859 -10.755 270 2HB LYS 43 1HB LYS 43 6.960 2.648 -9.595 271 1HG LYS 43 2HG LYS 43 5.862 4.656 -8.943 272 2HG LYS 43 1HG LYS 43 7.196 4.488 -7.813 273 1HD LYS 43 2HD LYS 43 8.526 6.094 -8.995 274 2HD LYS 43 1HD LYS 43 7.408 6.103 -10.359 275 1HE LYS 43 2HE LYS 43 5.648 6.844 -8.556 276 2HE LYS 43 1HE LYS 43 7.074 7.322 -7.634 277 1HZ LYS 43 1HZ LYS 43 7.784 8.510 -9.738 278 2HZ LYS 43 2HZ LYS 43 6.490 9.194 -8.876 279 3HZ LYS 43 3HZ LYS 43 6.193 8.293 -10.285 280 H ILE 44 H ILE 44 9.305 5.169 -7.567 281 HA ILE 44 HA ILE 44 10.015 3.340 -5.413 282 HB ILE 44 HB ILE 44 10.139 6.204 -5.884 283 1HG1 ILE 44 2HG1 ILE 44 12.014 4.550 -5.536 284 2HG1 ILE 44 1HG1 ILE 44 12.111 5.986 -4.515 285 1HG2 ILE 44 1HG2 ILE 44 10.042 6.738 -3.382 286 2HG2 ILE 44 2HG2 ILE 44 9.162 5.220 -3.196 287 3HG2 ILE 44 3HG2 ILE 44 8.487 6.515 -4.184 288 1HD1 ILE 44 1HD1 ILE 44 10.954 4.695 -2.701 289 2HD1 ILE 44 2HD1 ILE 44 12.536 4.048 -3.129 290 3HD1 ILE 44 3HD1 ILE 44 11.073 3.256 -3.714 291 H CYS 45 H CYS 45 8.392 2.105 -4.636 292 HA CYS 45 HA CYS 45 5.669 3.220 -4.320 293 1HB CYS 45 2HB CYS 45 6.557 0.744 -5.044 294 2HB CYS 45 1HB CYS 45 6.223 0.505 -3.344 295 H ARG 46 H ARG 46 8.464 3.224 -2.532 296 HA ARG 46 HA ARG 46 7.189 4.157 -0.167 297 1HB ARG 46 2HB ARG 46 6.895 1.425 -0.360 298 2HB ARG 46 1HB ARG 46 8.344 1.577 0.634 299 1HG ARG 46 2HG ARG 46 7.050 3.273 2.033 300 2HG ARG 46 1HG ARG 46 5.607 2.752 1.162 301 1HD ARG 46 2HD ARG 46 6.560 0.338 1.857 302 2HD ARG 46 1HD ARG 46 7.234 1.287 3.182 303 HE ARG 46 HE ARG 46 4.441 1.904 2.791 304 1HH1 ARG 46 1HH2 ARG 46 6.228 1.246 5.304 305 2HH1 ARG 46 2HH2 ARG 46 5.325 -0.086 5.947 306 1HH2 ARG 46 1HH1 ARG 46 3.442 -0.542 3.072 307 2HH2 ARG 46 2HH1 ARG 46 3.750 -1.097 4.684 308 H ILE 47 H ILE 47 8.843 3.881 1.802 309 HA ILE 47 HA ILE 47 11.609 4.203 0.717 310 HB ILE 47 HB ILE 47 10.511 6.408 1.175 311 1HG1 ILE 47 2HG1 ILE 47 12.740 5.731 3.118 312 2HG1 ILE 47 1HG1 ILE 47 12.983 6.056 1.400 313 1HG2 ILE 47 1HG2 ILE 47 9.274 6.669 3.033 314 2HG2 ILE 47 2HG2 ILE 47 10.692 6.354 4.033 315 3HG2 ILE 47 3HG2 ILE 47 9.664 5.018 3.515 316 1HD1 ILE 47 1HD1 ILE 47 11.779 8.269 1.779 317 2HD1 ILE 47 2HD1 ILE 47 13.373 8.131 2.524 318 3HD1 ILE 47 3HD1 ILE 47 11.920 7.946 3.507 319 H ALA 48 H ALA 48 13.265 4.000 2.525 320 HA ALA 48 HA ALA 48 12.283 2.204 4.663 321 1HB ALA 48 1HB ALA 48 13.355 0.649 3.357 322 2HB ALA 48 2HB ALA 48 14.705 1.189 4.354 323 3HB ALA 48 3HB ALA 48 14.501 1.828 2.723 324 H ARG 49 H ARG 49 13.836 2.046 6.533 325 HA ARG 49 HA ARG 49 15.420 4.538 6.907 326 1HB ARG 49 2HB ARG 49 13.484 3.475 8.911 327 2HB ARG 49 1HB ARG 49 14.395 4.972 9.025 328 1HG ARG 49 2HG ARG 49 12.565 5.954 8.111 329 2HG ARG 49 1HG ARG 49 13.098 5.225 6.596 330 1HD ARG 49 2HD ARG 49 10.696 4.724 7.199 331 2HD ARG 49 1HD ARG 49 11.697 3.294 6.948 332 HE ARG 49 HE ARG 49 11.517 2.807 9.266 333 1HH1 ARG 49 1HH1 ARG 49 8.760 3.800 9.165 334 2HH1 ARG 49 2HH1 ARG 49 8.729 5.015 10.398 335 1HH2 ARG 49 1HH2 ARG 49 12.181 5.305 10.565 336 2HH2 ARG 49 2HH2 ARG 49 10.668 5.870 11.192 337 H GLY 50 H GLY 50 15.482 1.260 6.964 338 1HA GLY 50 2HA GLY 50 17.677 1.264 8.944 339 2HA GLY 50 1HA GLY 50 16.407 0.057 9.114 340 H ASP 51 H ASP 51 15.985 -1.175 6.961 341 HA ASP 51 HA ASP 51 18.391 -2.500 6.163 342 1HB ASP 51 2HB ASP 51 15.581 -2.750 5.714 343 2HB ASP 51 1HB ASP 51 16.435 -2.827 4.174 344 H TRP 52 H TRP 52 16.170 -0.442 4.443 345 HA TRP 52 HA TRP 52 16.479 1.161 2.828 346 1HB TRP 52 2HB TRP 52 19.376 0.649 3.423 347 2HB TRP 52 1HB TRP 52 18.828 1.813 2.204 348 HD1 TRP 52 HD1 TRP 52 16.372 3.011 3.283 349 HE1 TRP 52 HE1 TRP 52 16.286 4.408 5.423 350 HE3 TRP 52 HE3 TRP 52 20.502 1.212 5.631 351 HZ2 TRP 52 HZ2 TRP 52 17.709 4.681 7.843 352 HZ3 TRP 52 HZ3 TRP 52 21.119 2.052 7.895 353 HH2 TRP 52 HH2 TRP 52 19.723 3.784 9.006 354 H ASN 53 H ASN 53 15.332 -0.352 1.755 355 HA ASN 53 HA ASN 53 16.470 -1.036 -0.843 356 1HB ASN 53 2HB ASN 53 15.798 -3.079 1.212 357 2HB ASN 53 1HB ASN 53 15.071 -3.349 -0.372 358 1HD2 ASN 53 1HD2 ASN 53 16.673 -5.286 -0.302 359 2HD2 ASN 53 2HD2 ASN 53 18.249 -5.001 -0.865 360 H ASP 54 H ASP 54 14.979 0.824 -1.065 361 HA ASP 54 HA ASP 54 12.300 0.867 -0.270 362 1HB ASP 54 2HB ASP 54 13.154 1.970 -2.917 363 2HB ASP 54 1HB ASP 54 11.981 2.628 -1.786 364 H ASP 55 H ASP 55 10.382 0.227 -1.197 365 HA ASP 55 HA ASP 55 10.515 -2.166 -2.867 366 1HB ASP 55 2HB ASP 55 7.900 -0.881 -2.404 367 2HB ASP 55 1HB ASP 55 8.366 -2.565 -2.216 368 H ARG 56 H ARG 56 11.361 -1.347 -4.874 369 HA ARG 56 HA ARG 56 10.270 0.847 -6.297 370 1HB ARG 56 2HB ARG 56 11.781 -1.592 -7.128 371 2HB ARG 56 1HB ARG 56 11.200 -0.447 -8.332 372 1HG ARG 56 2HG ARG 56 12.579 0.770 -6.017 373 2HG ARG 56 1HG ARG 56 13.604 -0.228 -7.050 374 1HD ARG 56 2HD ARG 56 12.806 1.039 -9.032 375 2HD ARG 56 1HD ARG 56 11.850 2.068 -7.967 376 HE ARG 56 HE ARG 56 14.359 2.326 -6.907 377 1HH1 ARG 56 1HH2 ARG 56 15.307 1.519 -9.689 378 2HH1 ARG 56 2HH2 ARG 56 15.510 3.069 -10.436 379 1HH2 ARG 56 1HH1 ARG 56 13.655 4.762 -8.044 380 2HH2 ARG 56 2HH1 ARG 56 14.575 4.904 -9.504 381 H CYS 57 H CYS 57 7.979 0.716 -6.199 382 HA CYS 57 HA CYS 57 6.141 -1.211 -6.519 383 1HB CYS 57 2HB CYS 57 5.414 0.562 -8.652 384 2HB CYS 57 1HB CYS 57 4.734 0.467 -7.039 385 H THR 58 H THR 58 5.421 -2.708 -8.017 386 HA THR 58 HA THR 58 7.296 -3.355 -10.174 387 HB THR 58 HB THR 58 6.184 -5.420 -10.312 388 HG1 THR 58 HG1 THR 58 4.078 -5.632 -10.043 389 1HG2 THR 58 1HG2 THR 58 5.308 -4.946 -7.523 390 2HG2 THR 58 2HG2 THR 58 6.988 -4.534 -7.874 391 3HG2 THR 58 3HG2 THR 58 6.399 -6.171 -8.169 392 H GLY 59 H GLY 59 6.055 -4.138 -12.315 393 1HA GLY 59 2HA GLY 59 4.769 -1.715 -13.361 394 2HA GLY 59 1HA GLY 59 5.222 -3.136 -14.301 395 H GLN 60 H GLN 60 3.685 -4.454 -11.764 396 HA GLN 60 HA GLN 60 0.970 -4.105 -12.963 397 1HB GLN 60 2HB GLN 60 2.097 -6.728 -11.945 398 2HB GLN 60 1HB GLN 60 0.562 -6.478 -12.781 399 1HG GLN 60 2HG GLN 60 1.562 -6.593 -14.797 400 2HG GLN 60 1HG GLN 60 2.764 -5.390 -14.326 401 1HE2 GLN 60 1HE2 GLN 60 4.876 -6.152 -14.034 402 2HE2 GLN 60 2HE2 GLN 60 5.299 -7.787 -13.875 403 H SER 61 H SER 61 2.619 -3.320 -10.375 404 HA SER 61 HA SER 61 0.595 -4.289 -8.404 405 1HB SER 61 2HB SER 61 2.796 -4.818 -7.638 406 2HB SER 61 1HB SER 61 3.409 -3.228 -8.083 407 HG SER 61 HG SER 61 2.837 -2.598 -6.174 408 H ALA 62 H ALA 62 -0.124 -2.635 -6.784 409 HA ALA 62 HA ALA 62 -0.039 0.137 -7.910 410 1HB ALA 62 1HB ALA 62 -2.398 -1.537 -7.120 411 2HB ALA 62 2HB ALA 62 -2.202 -0.444 -8.489 412 3HB ALA 62 3HB ALA 62 -2.468 0.209 -6.874 413 H ASP 63 H ASP 63 -0.354 -1.918 -5.031 414 HA ASP 63 HA ASP 63 -0.109 0.514 -3.336 415 1HB ASP 63 2HB ASP 63 -0.362 -2.341 -2.440 416 2HB ASP 63 1HB ASP 63 -0.543 -0.891 -1.456 417 H CYS 64 H CYS 64 1.402 -0.470 -1.228 418 HA CYS 64 HA CYS 64 3.932 -1.381 -2.490 419 1HB CYS 64 2HB CYS 64 3.896 0.992 -0.635 420 2HB CYS 64 1HB CYS 64 5.179 0.474 -1.741 421 HA PRO 65 HA PRO 65 3.947 -3.709 1.260 422 1HB PRO 65 2HB PRO 65 6.106 -5.216 0.516 423 2HB PRO 65 1HB PRO 65 4.466 -5.540 -0.047 424 1HG PRO 65 2HG PRO 65 6.780 -4.393 -1.513 425 2HG PRO 65 1HG PRO 65 5.344 -5.211 -2.149 426 1HD PRO 65 2HD PRO 65 5.816 -2.411 -2.114 427 2HD PRO 65 1HD PRO 65 4.292 -3.224 -2.526 428 H ARG 66 H ARG 66 5.145 -3.472 3.177 429 HA ARG 66 HA ARG 66 7.165 -1.415 3.267 430 1HB ARG 66 2HB ARG 66 7.191 -1.776 5.631 431 2HB ARG 66 1HB ARG 66 5.519 -2.012 5.124 432 1HG ARG 66 2HG ARG 66 6.647 -4.531 4.808 433 2HG ARG 66 1HG ARG 66 7.392 -3.931 6.291 434 1HD ARG 66 2HD ARG 66 4.688 -3.187 6.475 435 2HD ARG 66 1HD ARG 66 4.672 -4.837 5.854 436 HE ARG 66 HE ARG 66 6.347 -4.248 8.238 437 1HH1 ARG 66 1HH2 ARG 66 5.668 -7.022 7.181 438 2HH1 ARG 66 2HH2 ARG 66 4.443 -7.517 8.303 439 1HH2 ARG 66 1HH1 ARG 66 3.873 -4.315 9.502 440 2HH2 ARG 66 2HH1 ARG 66 3.427 -5.985 9.615 441 H TYR 67 H TYR 67 9.307 -1.929 4.475 442 HA TYR 67 HA TYR 67 10.395 -4.562 3.705 443 1HB TYR 67 2HB TYR 67 10.902 -2.257 2.228 444 2HB TYR 67 1HB TYR 67 12.315 -2.436 3.265 445 HD1 TYR 67 HD1 TYR 67 11.547 -3.035 0.101 446 HD2 TYR 67 HD2 TYR 67 12.546 -5.331 3.590 447 HE1 TYR 67 HE1 TYR 67 12.385 -4.867 -1.345 448 HE2 TYR 67 HE2 TYR 67 13.385 -7.162 2.144 449 HH TYR 67 HH TYR 67 12.706 -7.388 -1.114 450 H HIS 68 HN HIS 68 11.326 -1.454 5.209 451 HA HIS 68 HA HIS 68 12.924 -2.952 7.204 452 1HB HIS 68 2HB HIS 68 14.044 -1.022 6.318 453 2HB HIS 68 1HB HIS 68 12.630 -0.001 6.583 454 HD1 HIS 68 HD1 HIS 68 13.177 1.543 8.461 455 HD2 HIS 68 HD2 HIS 68 14.552 -2.322 9.205 456 HE1 HIS 68 HE1 HIS 68 14.156 1.568 10.797 Start of MODEL 6 1 1H GLY 1 1HT GLY 1 -9.013 -14.102 1.738 2 2H GLY 1 2HT GLY 1 -7.584 -13.798 0.871 3 3H GLY 1 3HT GLY 1 -9.086 -13.761 0.077 4 1HA GLY 1 1HA GLY 1 -8.465 -11.922 2.307 5 2HA GLY 1 2HA GLY 1 -8.036 -11.537 0.641 6 H LYS 2 H LYS 2 -9.560 -9.796 0.560 7 HA LYS 2 HA LYS 2 -12.407 -10.709 0.444 8 1HB LYS 2 2HB LYS 2 -11.186 -8.244 1.653 9 2HB LYS 2 1HB LYS 2 -12.826 -8.173 1.007 10 1HG LYS 2 2HG LYS 2 -13.659 -9.317 2.765 11 2HG LYS 2 1HG LYS 2 -12.417 -10.562 2.623 12 1HD LYS 2 2HD LYS 2 -10.890 -9.352 3.972 13 2HD LYS 2 1HD LYS 2 -11.806 -7.853 3.807 14 1HE LYS 2 2HE LYS 2 -13.531 -8.616 5.241 15 2HE LYS 2 1HE LYS 2 -13.004 -10.295 5.117 16 1HZ LYS 2 1HZ LYS 2 -11.917 -9.894 7.003 17 2HZ LYS 2 2HZ LYS 2 -12.081 -8.210 6.860 18 3HZ LYS 2 3HZ LYS 2 -10.812 -9.013 6.066 19 H GLU 3 H GLU 3 -13.584 -9.999 -1.347 20 HA GLU 3 HA GLU 3 -11.991 -8.934 -3.583 21 1HB GLU 3 2HB GLU 3 -14.285 -10.592 -3.310 22 2HB GLU 3 1HB GLU 3 -14.757 -9.169 -4.238 23 1HG GLU 3 2HG GLU 3 -13.888 -10.360 -5.986 24 2HG GLU 3 1HG GLU 3 -12.362 -9.705 -5.389 25 H CYS 4 H CYS 4 -11.956 -6.894 -1.903 26 HA CYS 4 HA CYS 4 -14.068 -5.076 -2.959 27 1HB CYS 4 2HB CYS 4 -12.970 -5.254 -0.155 28 2HB CYS 4 1HB CYS 4 -13.783 -3.808 -0.749 29 H ASP 5 H ASP 5 -12.185 -4.871 -4.570 30 HA ASP 5 HA ASP 5 -9.679 -3.857 -4.220 31 1HB ASP 5 2HB ASP 5 -11.264 -4.044 -6.366 32 2HB ASP 5 1HB ASP 5 -11.374 -2.301 -6.118 33 H CYS 6 H CYS 6 -12.659 -1.919 -3.924 34 HA CYS 6 HA CYS 6 -11.024 0.145 -2.502 35 1HB CYS 6 2HB CYS 6 -13.436 0.579 -4.293 36 2HB CYS 6 1HB CYS 6 -12.613 1.841 -3.378 37 H SER 7 H SER 7 -12.385 1.445 -0.938 38 HA SER 7 HA SER 7 -14.557 -0.260 0.215 39 1HB SER 7 2HB SER 7 -13.823 0.920 2.414 40 2HB SER 7 1HB SER 7 -12.826 -0.396 1.801 41 HG SER 7 HG SER 7 -12.344 2.343 1.901 42 H SER 8 H SER 8 -14.125 2.456 -1.494 43 HA SER 8 HA SER 8 -16.067 4.067 0.087 44 1HB SER 8 2HB SER 8 -13.768 4.732 -1.514 45 2HB SER 8 1HB SER 8 -15.194 5.547 -2.145 46 HG SER 8 HG SER 8 -15.430 5.819 0.393 47 HA PRO 9 HA PRO 9 -19.037 2.811 -2.986 48 1HB PRO 9 2HB PRO 9 -21.126 4.268 -1.955 49 2HB PRO 9 1HB PRO 9 -20.579 2.727 -1.275 50 1HG PRO 9 2HG PRO 9 -20.173 5.489 -0.230 51 2HG PRO 9 1HG PRO 9 -20.221 3.953 0.651 52 1HD PRO 9 2HD PRO 9 -17.887 5.399 -0.046 53 2HD PRO 9 1HD PRO 9 -17.943 3.724 0.542 54 H GLU 10 H GLU 10 -17.447 5.671 -2.866 55 HA GLU 10 HA GLU 10 -19.163 6.871 -5.004 56 1HB GLU 10 2HB GLU 10 -17.369 8.348 -3.057 57 2HB GLU 10 1HB GLU 10 -18.418 9.077 -4.276 58 1HG GLU 10 2HG GLU 10 -20.372 7.940 -3.143 59 2HG GLU 10 1HG GLU 10 -19.269 7.487 -1.843 60 H ASN 11 H ASN 11 -16.678 5.014 -4.942 61 HA ASN 11 HA ASN 11 -14.737 6.707 -6.355 62 1HB ASN 11 2HB ASN 11 -14.415 4.586 -4.654 63 2HB ASN 11 1HB ASN 11 -14.238 3.807 -6.227 64 1HD2 ASN 11 1HD2 ASN 11 -11.882 3.570 -5.482 65 2HD2 ASN 11 2HD2 ASN 11 -10.832 4.876 -5.753 66 HA PRO 12 HA PRO 12 -16.465 5.382 -10.232 67 1HB PRO 12 2HB PRO 12 -14.618 6.657 -11.816 68 2HB PRO 12 1HB PRO 12 -15.964 7.493 -11.021 69 1HG PRO 12 2HG PRO 12 -13.067 7.513 -10.319 70 2HG PRO 12 1HG PRO 12 -14.307 8.734 -9.994 71 1HD PRO 12 2HD PRO 12 -13.292 6.851 -8.130 72 2HD PRO 12 1HD PRO 12 -14.732 7.869 -7.915 73 H CYS 13 H CYS 13 -13.181 4.828 -9.174 74 HA CYS 13 HA CYS 13 -12.631 2.934 -11.383 75 1HB CYS 13 2HB CYS 13 -11.029 4.556 -9.707 76 2HB CYS 13 1HB CYS 13 -10.647 2.880 -9.319 77 H CYS 14 H CYS 14 -14.672 2.540 -9.080 78 HA CYS 14 HA CYS 14 -13.936 -0.270 -8.720 79 1HB CYS 14 2HB CYS 14 -13.872 1.718 -6.480 80 2HB CYS 14 1HB CYS 14 -14.440 0.082 -6.142 81 H ASP 15 H ASP 15 -15.755 -1.406 -8.988 82 HA ASP 15 HA ASP 15 -18.348 -0.145 -9.092 83 1HB ASP 15 2HB ASP 15 -17.373 -2.328 -10.253 84 2HB ASP 15 1HB ASP 15 -18.074 -3.089 -8.830 85 H ALA 16 H ALA 16 -19.439 0.455 -7.284 86 HA ALA 16 HA ALA 16 -18.836 -0.484 -4.659 87 1HB ALA 16 1HB ALA 16 -21.391 0.799 -5.669 88 2HB ALA 16 2HB ALA 16 -19.964 1.674 -5.114 89 3HB ALA 16 3HB ALA 16 -20.889 0.687 -3.983 90 H ALA 17 H ALA 17 -20.956 -1.702 -7.154 91 HA ALA 17 HA ALA 17 -22.709 -3.277 -5.557 92 1HB ALA 17 1HB ALA 17 -23.139 -2.962 -7.930 93 2HB ALA 17 2HB ALA 17 -22.945 -4.688 -7.618 94 3HB ALA 17 3HB ALA 17 -21.628 -3.770 -8.346 95 H THR 18 H THR 18 -19.361 -3.686 -6.385 96 HA THR 18 HA THR 18 -19.322 -6.182 -4.765 97 HB THR 18 HB THR 18 -18.049 -7.389 -6.362 98 HG1 THR 18 HG1 THR 18 -17.257 -6.332 -8.244 99 1HG2 THR 18 1HG2 THR 18 -20.572 -6.600 -6.951 100 2HG2 THR 18 2HG2 THR 18 -19.646 -7.711 -7.960 101 3HG2 THR 18 3HG2 THR 18 -19.721 -5.999 -8.375 102 H CYS 19 H CYS 19 -18.523 -3.281 -4.485 103 HA CYS 19 HA CYS 19 -16.642 -1.982 -3.892 104 1HB CYS 19 2HB CYS 19 -15.401 -3.086 -1.972 105 2HB CYS 19 1HB CYS 19 -17.150 -2.996 -1.783 106 H LYS 20 H LYS 20 -16.161 -3.762 -6.284 107 HA LYS 20 HA LYS 20 -13.238 -4.218 -5.902 108 1HB LYS 20 2HB LYS 20 -15.323 -5.528 -7.566 109 2HB LYS 20 1HB LYS 20 -13.728 -5.348 -8.300 110 1HG LYS 20 2HG LYS 20 -13.741 -6.303 -5.493 111 2HG LYS 20 1HG LYS 20 -14.393 -7.429 -6.684 112 1HD LYS 20 2HD LYS 20 -11.909 -6.095 -7.535 113 2HD LYS 20 1HD LYS 20 -11.719 -7.131 -6.121 114 1HE LYS 20 2HE LYS 20 -11.809 -8.963 -7.419 115 2HE LYS 20 1HE LYS 20 -13.393 -8.476 -8.022 116 1HZ LYS 20 1HZ LYS 20 -11.052 -8.555 -9.449 117 2HZ LYS 20 2HZ LYS 20 -11.316 -6.902 -9.162 118 3HZ LYS 20 3HZ LYS 20 -12.508 -7.833 -9.935 119 H LEU 21 H LEU 21 -12.305 -4.045 -8.449 120 HA LEU 21 HA LEU 21 -12.344 -1.168 -8.912 121 1HB LEU 21 2HB LEU 21 -10.856 -3.494 -9.967 122 2HB LEU 21 1HB LEU 21 -11.094 -2.165 -11.101 123 HG LEU 21 HG LEU 21 -10.111 -1.609 -8.307 124 1HD1 LEU 21 1HD1 LEU 21 -8.116 -2.558 -8.711 125 2HD1 LEU 21 2HD1 LEU 21 -7.962 -1.624 -10.199 126 3HD1 LEU 21 3HD1 LEU 21 -8.747 -3.203 -10.226 127 1HD2 LEU 21 1HD2 LEU 21 -10.062 0.481 -9.126 128 2HD2 LEU 21 2HD2 LEU 21 -10.673 -0.108 -10.672 129 3HD2 LEU 21 3HD2 LEU 21 -8.935 -0.039 -10.378 130 H ARG 22 H ARG 22 -12.536 -0.434 -11.236 131 HA ARG 22 HA ARG 22 -15.057 -1.516 -12.368 132 1HB ARG 22 2HB ARG 22 -14.093 1.113 -11.980 133 2HB ARG 22 1HB ARG 22 -14.015 0.831 -13.719 134 1HG ARG 22 2HG ARG 22 -16.419 -0.130 -13.439 135 2HG ARG 22 1HG ARG 22 -16.416 0.736 -11.902 136 1HD ARG 22 2HD ARG 22 -15.554 2.743 -13.374 137 2HD ARG 22 1HD ARG 22 -16.285 1.830 -14.695 138 HE ARG 22 HE ARG 22 -18.220 1.941 -12.656 139 1HH1 ARG 22 1HH1 ARG 22 -16.225 4.462 -13.689 140 2HH1 ARG 22 2HH1 ARG 22 -17.518 5.520 -14.146 141 1HH2 ARG 22 1HH2 ARG 22 -19.991 3.139 -13.660 142 2HH2 ARG 22 2HH2 ARG 22 -19.651 4.771 -14.129 143 HA PRO 23 HA PRO 23 -12.593 -3.573 -15.408 144 1HB PRO 23 2HB PRO 23 -14.600 -3.879 -17.292 145 2HB PRO 23 1HB PRO 23 -14.392 -4.922 -15.873 146 1HG PRO 23 2HG PRO 23 -16.323 -2.647 -16.274 147 2HG PRO 23 1HG PRO 23 -16.560 -4.179 -15.408 148 1HD PRO 23 2HD PRO 23 -16.037 -1.815 -14.091 149 2HD PRO 23 1HD PRO 23 -15.542 -3.396 -13.464 150 H GLY 24 H GLY 24 -11.316 -1.677 -15.794 151 1HA GLY 24 2HA GLY 24 -11.275 -0.756 -18.478 152 2HA GLY 24 1HA GLY 24 -12.007 0.504 -17.477 153 H ALA 25 H ALA 25 -10.672 0.500 -15.192 154 HA ALA 25 HA ALA 25 -7.980 1.360 -15.927 155 1HB ALA 25 1HB ALA 25 -9.413 2.684 -14.384 156 2HB ALA 25 2HB ALA 25 -7.890 2.205 -13.633 157 3HB ALA 25 3HB ALA 25 -9.377 1.342 -13.242 158 H GLN 26 H GLN 26 -6.633 0.776 -13.521 159 HA GLN 26 HA GLN 26 -6.716 -2.178 -13.267 160 1HB GLN 26 2HB GLN 26 -4.736 -0.742 -14.760 161 2HB GLN 26 1HB GLN 26 -3.971 -1.448 -13.336 162 1HG GLN 26 2HG GLN 26 -4.335 -3.594 -14.043 163 2HG GLN 26 1HG GLN 26 -5.881 -3.195 -14.786 164 1HE2 GLN 26 1HE2 GLN 26 -4.989 -4.515 -16.673 165 2HE2 GLN 26 2HE2 GLN 26 -3.969 -3.735 -17.784 166 H CYS 27 H CYS 27 -7.153 0.422 -11.628 167 HA CYS 27 HA CYS 27 -6.355 -0.611 -9.110 168 1HB CYS 27 2HB CYS 27 -4.491 0.816 -8.509 169 2HB CYS 27 1HB CYS 27 -4.073 -0.035 -9.997 170 H GLY 28 H GLY 28 -7.549 0.441 -7.568 171 1HA GLY 28 2HA GLY 28 -8.852 2.993 -8.407 172 2HA GLY 28 1HA GLY 28 -9.559 1.837 -7.281 173 H GLU 29 H GLU 29 -6.513 1.737 -6.292 174 HA GLU 29 HA GLU 29 -5.988 4.261 -5.085 175 1HB GLU 29 2HB GLU 29 -6.791 3.878 -2.805 176 2HB GLU 29 1HB GLU 29 -8.143 3.814 -3.934 177 1HG GLU 29 2HG GLU 29 -8.638 1.771 -3.133 178 2HG GLU 29 1HG GLU 29 -7.124 1.189 -3.826 179 H GLY 30 H GLY 30 -3.851 4.085 -4.711 180 1HA GLY 30 2HA GLY 30 -2.660 2.184 -2.975 181 2HA GLY 30 1HA GLY 30 -2.420 1.627 -4.630 182 H LEU 31 H LEU 31 -0.206 2.380 -3.068 183 HA LEU 31 HA LEU 31 0.557 5.107 -3.380 184 1HB LEU 31 2HB LEU 31 1.817 3.715 -1.870 185 2HB LEU 31 1HB LEU 31 2.232 2.646 -3.188 186 HG LEU 31 HG LEU 31 3.677 4.219 -4.187 187 1HD1 LEU 31 1HD1 LEU 31 3.658 6.593 -2.857 188 2HD1 LEU 31 2HD1 LEU 31 1.958 6.146 -2.724 189 3HD1 LEU 31 3HD1 LEU 31 2.711 6.293 -4.313 190 1HD2 LEU 31 1HD2 LEU 31 4.308 3.289 -1.819 191 2HD2 LEU 31 2HD2 LEU 31 4.070 4.957 -1.297 192 3HD2 LEU 31 3HD2 LEU 31 5.281 4.581 -2.521 193 H CYS 32 H CYS 32 1.075 2.270 -5.422 194 HA CYS 32 HA CYS 32 2.214 4.048 -7.513 195 1HB CYS 32 2HB CYS 32 2.222 1.037 -7.200 196 2HB CYS 32 1HB CYS 32 2.929 1.899 -8.568 197 H CYS 33 H CYS 33 -0.530 4.325 -7.183 198 HA CYS 33 HA CYS 33 -1.615 2.842 -9.542 199 1HB CYS 33 2HB CYS 33 -2.977 2.284 -7.662 200 2HB CYS 33 1HB CYS 33 -2.977 3.943 -7.072 201 H GLU 34 H GLU 34 -0.840 4.357 -11.073 202 HA GLU 34 HA GLU 34 -1.061 7.187 -10.838 203 1HB GLU 34 2HB GLU 34 -1.416 6.069 -13.548 204 2HB GLU 34 1HB GLU 34 -0.287 7.293 -12.984 205 1HG GLU 34 2HG GLU 34 0.752 5.193 -11.696 206 2HG GLU 34 1HG GLU 34 0.014 4.327 -13.044 207 H GLN 35 H GLN 35 -2.578 7.996 -13.103 208 HA GLN 35 HA GLN 35 -5.150 8.269 -11.971 209 1HB GLN 35 2HB GLN 35 -4.266 9.724 -13.781 210 2HB GLN 35 1HB GLN 35 -4.407 8.377 -14.912 211 1HG GLN 35 2HG GLN 35 -6.866 8.263 -14.323 212 2HG GLN 35 1HG GLN 35 -6.653 9.773 -13.437 213 1HE2 GLN 35 1HE2 GLN 35 -6.395 11.729 -14.661 214 2HE2 GLN 35 2HE2 GLN 35 -6.538 11.777 -16.352 215 H CYS 36 H CYS 36 -5.876 6.203 -11.313 216 HA CYS 36 HA CYS 36 -6.795 4.055 -11.570 217 1HB CYS 36 2HB CYS 36 -7.957 5.757 -13.751 218 2HB CYS 36 1HB CYS 36 -8.341 4.043 -13.702 219 H LYS 37 H LYS 37 -4.198 3.916 -12.335 220 HA LYS 37 HA LYS 37 -4.295 1.873 -14.433 221 1HB LYS 37 2HB LYS 37 -4.114 4.105 -15.651 222 2HB LYS 37 1HB LYS 37 -2.522 4.275 -14.912 223 1HG LYS 37 2HG LYS 37 -1.627 2.481 -16.104 224 2HG LYS 37 1HG LYS 37 -3.205 1.736 -16.361 225 1HD LYS 37 2HD LYS 37 -3.087 4.391 -17.543 226 2HD LYS 37 1HD LYS 37 -1.818 3.346 -18.182 227 1HE LYS 37 2HE LYS 37 -3.344 1.786 -19.025 228 2HE LYS 37 1HE LYS 37 -4.627 2.303 -17.931 229 1HZ LYS 37 1HZ LYS 37 -5.251 3.233 -19.931 230 2HZ LYS 37 2HZ LYS 37 -3.657 3.598 -20.394 231 3HZ LYS 37 3HZ LYS 37 -4.428 4.519 -19.193 232 H PHE 38 H PHE 38 -2.559 0.448 -14.251 233 HA PHE 38 HA PHE 38 -1.023 0.506 -11.819 234 1HB PHE 38 2HB PHE 38 -0.981 -1.170 -14.312 235 2HB PHE 38 1HB PHE 38 0.350 -1.297 -13.167 236 HD1 PHE 38 HD1 PHE 38 -2.202 -3.170 -14.028 237 HD2 PHE 38 HD2 PHE 38 -1.038 -0.887 -10.580 238 HE1 PHE 38 HE1 PHE 38 -3.567 -4.653 -12.585 239 HE2 PHE 38 HE2 PHE 38 -2.407 -2.370 -9.138 240 HZ PHE 38 HZ PHE 38 -3.670 -4.252 -10.140 241 H SER 39 H SER 39 0.891 1.533 -11.422 242 HA SER 39 HA SER 39 2.083 3.259 -13.385 243 1HB SER 39 2HB SER 39 2.491 2.606 -10.598 244 2HB SER 39 1HB SER 39 4.030 2.733 -11.436 245 HG SER 39 HG SER 39 3.234 4.754 -10.634 246 H ARG 40 H ARG 40 4.735 2.877 -13.564 247 HA ARG 40 HA ARG 40 4.914 0.239 -14.884 248 1HB ARG 40 2HB ARG 40 6.954 1.225 -15.983 249 2HB ARG 40 1HB ARG 40 5.463 2.098 -16.336 250 1HG ARG 40 2HG ARG 40 6.787 3.058 -13.906 251 2HG ARG 40 1HG ARG 40 7.790 3.232 -15.347 252 1HD ARG 40 2HD ARG 40 5.449 4.099 -16.355 253 2HD ARG 40 1HD ARG 40 5.206 4.545 -14.666 254 HE ARG 40 HE ARG 40 7.260 5.668 -16.475 255 1HH1 ARG 40 1HH2 ARG 40 6.568 4.974 -13.207 256 2HH1 ARG 40 2HH2 ARG 40 7.040 6.534 -12.620 257 1HH2 ARG 40 1HH1 ARG 40 7.589 7.850 -15.782 258 2HH2 ARG 40 2HH1 ARG 40 7.618 8.164 -14.079 259 H ALA 41 H ALA 41 6.077 -1.351 -13.910 260 HA ALA 41 HA ALA 41 7.164 -1.371 -11.395 261 1HB ALA 41 1HB ALA 41 7.051 -3.299 -13.091 262 2HB ALA 41 2HB ALA 41 8.439 -3.286 -12.004 263 3HB ALA 41 3HB ALA 41 8.618 -2.734 -13.668 264 H GLY 42 H GLY 42 9.400 -1.237 -10.586 265 1HA GLY 42 2HA GLY 42 11.599 -0.356 -10.584 266 2HA GLY 42 1HA GLY 42 11.306 0.295 -12.187 267 H LYS 43 H LYS 43 8.917 0.861 -9.718 268 HA LYS 43 HA LYS 43 9.899 3.673 -9.609 269 1HB LYS 43 2HB LYS 43 7.646 4.423 -9.356 270 2HB LYS 43 1HB LYS 43 7.617 3.242 -10.666 271 1HG LYS 43 2HG LYS 43 7.207 1.568 -8.632 272 2HG LYS 43 1HG LYS 43 6.542 3.027 -7.896 273 1HD LYS 43 2HD LYS 43 4.677 2.164 -9.000 274 2HD LYS 43 1HD LYS 43 5.305 3.296 -10.192 275 1HE LYS 43 2HE LYS 43 5.429 1.581 -11.643 276 2HE LYS 43 1HE LYS 43 6.700 0.892 -10.634 277 1HZ LYS 43 1HZ LYS 43 5.329 -0.667 -9.887 278 2HZ LYS 43 2HZ LYS 43 4.259 -0.214 -11.127 279 3HZ LYS 43 3HZ LYS 43 4.086 0.441 -9.570 280 H ILE 44 H ILE 44 10.311 4.536 -7.595 281 HA ILE 44 HA ILE 44 10.450 2.657 -5.374 282 HB ILE 44 HB ILE 44 12.197 4.323 -5.658 283 1HG1 ILE 44 2HG1 ILE 44 11.870 5.543 -3.362 284 2HG1 ILE 44 1HG1 ILE 44 10.421 4.545 -3.235 285 1HG2 ILE 44 1HG2 ILE 44 10.103 5.984 -6.401 286 2HG2 ILE 44 2HG2 ILE 44 11.776 6.484 -6.159 287 3HG2 ILE 44 3HG2 ILE 44 10.609 6.641 -4.845 288 1HD1 ILE 44 1HD1 ILE 44 12.835 3.702 -2.384 289 2HD1 ILE 44 2HD1 ILE 44 12.918 3.155 -4.059 290 3HD1 ILE 44 3HD1 ILE 44 11.612 2.598 -3.012 291 H CYS 45 H CYS 45 8.733 2.177 -4.191 292 HA CYS 45 HA CYS 45 6.571 4.199 -3.787 293 1HB CYS 45 2HB CYS 45 5.433 2.118 -2.712 294 2HB CYS 45 1HB CYS 45 5.525 2.223 -4.463 295 H ARG 46 H ARG 46 9.355 3.145 -2.327 296 HA ARG 46 HA ARG 46 8.568 4.349 0.206 297 1HB ARG 46 2HB ARG 46 8.371 1.525 -0.088 298 2HB ARG 46 1HB ARG 46 9.782 1.845 0.922 299 1HG ARG 46 2HG ARG 46 7.138 3.215 1.424 300 2HG ARG 46 1HG ARG 46 7.506 1.636 2.118 301 1HD ARG 46 2HD ARG 46 9.718 2.777 2.916 302 2HD ARG 46 1HD ARG 46 8.839 4.281 2.642 303 HE ARG 46 HE ARG 46 7.060 3.169 4.206 304 1HH1 ARG 46 1HH1 ARG 46 9.173 4.636 5.672 305 2HH1 ARG 46 2HH1 ARG 46 9.781 3.440 6.767 306 1HH2 ARG 46 1HH2 ARG 46 8.392 0.772 5.042 307 2HH2 ARG 46 2HH2 ARG 46 9.337 1.253 6.411 308 H ILE 47 H ILE 47 10.312 5.350 1.080 309 HA ILE 47 HA ILE 47 12.908 4.895 -0.245 310 HB ILE 47 HB ILE 47 12.963 7.165 -0.114 311 1HG1 ILE 47 2HG1 ILE 47 13.304 6.544 2.832 312 2HG1 ILE 47 1HG1 ILE 47 14.570 6.862 1.646 313 1HG2 ILE 47 1HG2 ILE 47 10.550 7.220 0.309 314 2HG2 ILE 47 2HG2 ILE 47 11.367 8.474 1.241 315 3HG2 ILE 47 3HG2 ILE 47 10.834 6.992 2.035 316 1HD1 ILE 47 1HD1 ILE 47 12.635 8.788 2.908 317 2HD1 ILE 47 2HD1 ILE 47 13.347 9.155 1.337 318 3HD1 ILE 47 3HD1 ILE 47 14.386 8.925 2.745 319 H ALA 48 H ALA 48 11.448 3.323 1.978 320 HA ALA 48 HA ALA 48 12.039 2.146 3.920 321 1HB ALA 48 1HB ALA 48 14.662 2.245 2.397 322 2HB ALA 48 2HB ALA 48 13.425 0.998 2.291 323 3HB ALA 48 3HB ALA 48 14.355 1.185 3.773 324 H ARG 49 H ARG 49 13.959 2.127 5.724 325 HA ARG 49 HA ARG 49 13.914 4.760 6.918 326 1HB ARG 49 2HB ARG 49 15.418 2.292 7.683 327 2HB ARG 49 1HB ARG 49 15.262 3.716 8.700 328 1HG ARG 49 2HG ARG 49 13.069 1.847 7.774 329 2HG ARG 49 1HG ARG 49 13.564 2.191 9.432 330 1HD ARG 49 2HD ARG 49 12.987 4.697 8.634 331 2HD ARG 49 1HD ARG 49 11.888 3.810 7.580 332 HE ARG 49 HE ARG 49 11.225 2.666 9.887 333 1HH1 ARG 49 1HH2 ARG 49 10.212 5.465 8.740 334 2HH1 ARG 49 2HH2 ARG 49 10.073 6.323 10.238 335 1HH2 ARG 49 1HH1 ARG 49 11.859 3.974 12.057 336 2HH2 ARG 49 2HH1 ARG 49 11.004 5.479 12.115 337 H GLY 50 H GLY 50 16.915 2.958 6.881 338 1HA GLY 50 2HA GLY 50 18.209 4.898 5.126 339 2HA GLY 50 1HA GLY 50 18.755 4.913 6.799 340 H ASP 51 H ASP 51 19.195 3.472 3.775 341 HA ASP 51 HA ASP 51 20.880 1.944 3.132 342 1HB ASP 51 2HB ASP 51 21.569 2.480 5.781 343 2HB ASP 51 1HB ASP 51 21.435 0.725 5.682 344 H TRP 52 H TRP 52 19.688 0.446 2.087 345 HA TRP 52 HA TRP 52 19.346 -2.164 2.945 346 1HB TRP 52 2HB TRP 52 16.656 -1.944 3.169 347 2HB TRP 52 1HB TRP 52 17.738 -1.946 4.552 348 HD1 TRP 52 HD1 TRP 52 16.421 -0.390 6.075 349 HE1 TRP 52 HE1 TRP 52 15.788 2.084 5.985 350 HE3 TRP 52 HE3 TRP 52 17.637 0.722 1.239 351 HZ2 TRP 52 HZ2 TRP 52 15.804 4.266 4.127 352 HZ3 TRP 52 HZ3 TRP 52 17.331 3.002 0.358 353 HH2 TRP 52 HH2 TRP 52 16.409 4.772 1.825 354 H ASN 53 H ASN 53 16.918 -2.941 1.731 355 HA ASN 53 HA ASN 53 17.522 -2.242 -1.081 356 1HB ASN 53 2HB ASN 53 16.201 -4.499 0.330 357 2HB ASN 53 1HB ASN 53 15.516 -4.069 -1.238 358 1HD2 ASN 53 1HD2 ASN 53 16.461 -5.261 -2.889 359 2HD2 ASN 53 2HD2 ASN 53 18.086 -5.748 -2.938 360 H ASP 54 H ASP 54 16.484 -0.373 -1.682 361 HA ASP 54 HA ASP 54 14.140 0.687 -0.470 362 1HB ASP 54 2HB ASP 54 13.930 1.859 -2.822 363 2HB ASP 54 1HB ASP 54 15.283 2.257 -1.767 364 H ASP 55 H ASP 55 11.969 0.832 -1.370 365 HA ASP 55 HA ASP 55 11.078 -1.744 -2.471 366 1HB ASP 55 2HB ASP 55 9.984 0.144 -0.732 367 2HB ASP 55 1HB ASP 55 9.035 0.291 -2.204 368 H ARG 56 H ARG 56 10.129 -2.004 -4.513 369 HA ARG 56 HA ARG 56 10.013 0.376 -6.302 370 1HB ARG 56 2HB ARG 56 12.205 -1.068 -6.409 371 2HB ARG 56 1HB ARG 56 11.186 -2.209 -7.283 372 1HG ARG 56 2HG ARG 56 12.176 -0.828 -8.941 373 2HG ARG 56 1HG ARG 56 10.518 -0.250 -8.779 374 1HD ARG 56 2HD ARG 56 12.145 1.621 -8.839 375 2HD ARG 56 1HD ARG 56 11.280 1.560 -7.305 376 HE ARG 56 HE ARG 56 13.342 1.135 -6.253 377 1HH1 ARG 56 1HH1 ARG 56 13.461 0.444 -9.635 378 2HH1 ARG 56 2HH1 ARG 56 15.139 0.018 -9.621 379 1HH2 ARG 56 1HH2 ARG 56 15.525 0.551 -6.218 380 2HH2 ARG 56 2HH2 ARG 56 16.307 0.077 -7.691 381 H CYS 57 H CYS 57 7.720 0.259 -6.507 382 HA CYS 57 HA CYS 57 6.143 -2.043 -6.647 383 1HB CYS 57 2HB CYS 57 5.795 0.520 -8.219 384 2HB CYS 57 1HB CYS 57 4.578 -0.742 -8.113 385 H THR 58 H THR 58 5.445 -3.380 -8.354 386 HA THR 58 HA THR 58 7.428 -3.684 -10.516 387 HB THR 58 HB THR 58 6.716 -5.887 -10.673 388 HG1 THR 58 HG1 THR 58 4.427 -6.199 -9.624 389 1HG2 THR 58 1HG2 THR 58 6.713 -6.711 -8.506 390 2HG2 THR 58 2HG2 THR 58 5.566 -5.497 -7.938 391 3HG2 THR 58 3HG2 THR 58 7.254 -5.059 -8.205 392 H GLY 59 H GLY 59 5.490 -5.015 -12.297 393 1HA GLY 59 2HA GLY 59 4.331 -2.543 -13.478 394 2HA GLY 59 1HA GLY 59 4.642 -4.043 -14.352 395 H GLN 60 H GLN 60 3.245 -4.511 -11.276 396 HA GLN 60 HA GLN 60 0.465 -4.409 -12.279 397 1HB GLN 60 2HB GLN 60 1.825 -6.967 -11.374 398 2HB GLN 60 1HB GLN 60 0.084 -6.792 -11.597 399 1HG GLN 60 2HG GLN 60 0.963 -5.827 -13.975 400 2HG GLN 60 1HG GLN 60 2.238 -6.994 -13.625 401 1HE2 GLN 60 1HE2 GLN 60 1.505 -9.282 -13.182 402 2HE2 GLN 60 2HE2 GLN 60 0.056 -9.831 -13.874 403 H SER 61 H SER 61 2.414 -3.427 -10.012 404 HA SER 61 HA SER 61 0.692 -4.249 -7.717 405 1HB SER 61 2HB SER 61 2.520 -4.016 -6.334 406 2HB SER 61 1HB SER 61 3.359 -4.402 -7.832 407 HG SER 61 HG SER 61 3.526 -2.200 -6.363 408 H ALA 62 H ALA 62 -0.909 -2.786 -7.370 409 HA ALA 62 HA ALA 62 -0.585 0.023 -8.161 410 1HB ALA 62 1HB ALA 62 -2.918 -0.033 -6.757 411 2HB ALA 62 2HB ALA 62 -2.797 -1.724 -7.243 412 3HB ALA 62 3HB ALA 62 -2.800 -0.453 -8.467 413 H ASP 63 H ASP 63 -0.026 -1.883 -5.375 414 HA ASP 63 HA ASP 63 0.244 0.596 -3.730 415 1HB ASP 63 2HB ASP 63 -0.417 -2.182 -2.782 416 2HB ASP 63 1HB ASP 63 -0.231 -0.770 -1.752 417 H CYS 64 H CYS 64 1.695 -0.549 -1.615 418 HA CYS 64 HA CYS 64 4.037 -1.799 -2.951 419 1HB CYS 64 2HB CYS 64 4.336 0.690 -2.831 420 2HB CYS 64 1HB CYS 64 4.312 0.552 -1.075 421 HA PRO 65 HA PRO 65 3.834 -4.192 0.740 422 1HB PRO 65 2HB PRO 65 5.815 -5.906 -0.037 423 2HB PRO 65 1HB PRO 65 4.160 -6.020 -0.632 424 1HG PRO 65 2HG PRO 65 6.612 -5.122 -2.033 425 2HG PRO 65 1HG PRO 65 5.085 -5.707 -2.714 426 1HD PRO 65 2HD PRO 65 5.949 -2.990 -2.507 427 2HD PRO 65 1HD PRO 65 4.359 -3.572 -3.047 428 H ARG 66 H ARG 66 4.868 -2.163 1.825 429 HA ARG 66 HA ARG 66 7.682 -1.811 1.969 430 1HB ARG 66 2HB ARG 66 7.271 -0.467 3.926 431 2HB ARG 66 1HB ARG 66 5.926 -0.202 2.816 432 1HG ARG 66 2HG ARG 66 4.473 -1.605 4.077 433 2HG ARG 66 1HG ARG 66 5.811 -2.287 5.003 434 1HD ARG 66 2HD ARG 66 5.934 0.526 5.348 435 2HD ARG 66 1HD ARG 66 4.249 0.057 5.581 436 HE ARG 66 HE ARG 66 6.108 -1.676 7.005 437 1HH1 ARG 66 1HH2 ARG 66 3.284 -0.485 7.683 438 2HH1 ARG 66 2HH2 ARG 66 3.686 0.418 9.105 439 1HH2 ARG 66 1HH1 ARG 66 7.108 0.247 8.565 440 2HH2 ARG 66 2HH1 ARG 66 5.852 0.833 9.606 441 H TYR 67 H TYR 67 9.012 -2.259 4.002 442 HA TYR 67 HA TYR 67 8.261 -4.366 5.790 443 1HB TYR 67 2HB TYR 67 9.682 -6.168 4.916 444 2HB TYR 67 1HB TYR 67 8.462 -5.724 3.722 445 HD1 TYR 67 HD1 TYR 67 9.096 -4.137 1.846 446 HD2 TYR 67 HD2 TYR 67 12.001 -5.947 4.441 447 HE1 TYR 67 HE1 TYR 67 10.882 -3.619 0.206 448 HE2 TYR 67 HE2 TYR 67 13.788 -5.429 2.801 449 HH TYR 67 HH TYR 67 13.067 -3.650 -0.201 450 H HIS 68 HN HIS 68 9.526 -1.805 5.978 451 HA HIS 68 HA HIS 68 12.287 -2.582 6.827 452 1HB HIS 68 2HB HIS 68 11.245 0.203 6.232 453 2HB HIS 68 1HB HIS 68 12.919 -0.256 6.545 454 HD1 HIS 68 HD1 HIS 68 10.246 -0.409 3.915 455 HD2 HIS 68 HD2 HIS 68 14.229 -1.551 4.369 456 HE1 HIS 68 HE1 HIS 68 11.076 -1.043 1.608 Start of MODEL 7 1 1H GLY 1 1HT GLY 1 -12.021 -14.970 -1.331 2 2H GLY 1 2HT GLY 1 -11.150 -16.402 -1.051 3 3H GLY 1 3HT GLY 1 -10.688 -15.354 -2.306 4 1HA GLY 1 1HA GLY 1 -10.587 -14.727 0.595 5 2HA GLY 1 2HA GLY 1 -9.201 -15.135 -0.416 6 H LYS 2 H LYS 2 -8.431 -13.582 -1.902 7 HA LYS 2 HA LYS 2 -9.044 -10.819 -1.234 8 1HB LYS 2 2HB LYS 2 -6.805 -11.958 -2.117 9 2HB LYS 2 1HB LYS 2 -7.487 -11.526 -3.686 10 1HG LYS 2 2HG LYS 2 -7.578 -9.208 -3.114 11 2HG LYS 2 1HG LYS 2 -7.268 -9.545 -1.411 12 1HD LYS 2 2HD LYS 2 -5.288 -10.243 -3.588 13 2HD LYS 2 1HD LYS 2 -5.272 -8.687 -2.756 14 1HE LYS 2 2HE LYS 2 -4.074 -9.644 -1.109 15 2HE LYS 2 1HE LYS 2 -5.479 -10.639 -0.729 16 1HZ LYS 2 1HZ LYS 2 -4.690 -12.148 -2.561 17 2HZ LYS 2 2HZ LYS 2 -3.730 -12.121 -1.159 18 3HZ LYS 2 3HZ LYS 2 -3.234 -11.279 -2.549 19 H GLU 3 H GLU 3 -10.611 -9.592 -2.165 20 HA GLU 3 HA GLU 3 -11.277 -9.788 -4.978 21 1HB GLU 3 2HB GLU 3 -12.647 -11.538 -3.192 22 2HB GLU 3 1HB GLU 3 -13.786 -10.308 -3.738 23 1HG GLU 3 2HG GLU 3 -12.033 -11.409 -5.846 24 2HG GLU 3 1HG GLU 3 -13.187 -12.553 -5.163 25 H CYS 4 H CYS 4 -10.489 -7.662 -3.313 26 HA CYS 4 HA CYS 4 -12.831 -5.894 -3.606 27 1HB CYS 4 2HB CYS 4 -12.742 -6.798 -1.241 28 2HB CYS 4 1HB CYS 4 -11.265 -5.889 -1.071 29 H ASP 5 H ASP 5 -11.231 -5.510 -5.434 30 HA ASP 5 HA ASP 5 -8.706 -4.437 -5.284 31 1HB ASP 5 2HB ASP 5 -10.445 -4.686 -7.284 32 2HB ASP 5 1HB ASP 5 -10.642 -2.955 -6.997 33 H CYS 6 H CYS 6 -11.673 -2.862 -4.244 34 HA CYS 6 HA CYS 6 -10.005 -0.615 -3.196 35 1HB CYS 6 2HB CYS 6 -11.884 -0.465 -5.343 36 2HB CYS 6 1HB CYS 6 -12.530 0.411 -3.960 37 H SER 7 H SER 7 -11.098 0.587 -1.456 38 HA SER 7 HA SER 7 -13.393 -0.887 -0.246 39 1HB SER 7 2HB SER 7 -12.274 -0.311 2.007 40 2HB SER 7 1HB SER 7 -11.577 -1.633 1.076 41 HG SER 7 HG SER 7 -10.592 0.854 0.433 42 H SER 8 H SER 8 -13.272 1.615 -1.829 43 HA SER 8 HA SER 8 -14.393 3.432 0.253 44 1HB SER 8 2HB SER 8 -12.068 3.882 -1.346 45 2HB SER 8 1HB SER 8 -13.316 5.023 -1.834 46 HG SER 8 HG SER 8 -11.784 5.222 0.237 47 HA PRO 9 HA PRO 9 -17.701 3.331 -2.745 48 1HB PRO 9 2HB PRO 9 -19.461 4.798 -1.233 49 2HB PRO 9 1HB PRO 9 -19.134 3.079 -0.957 50 1HG PRO 9 2HG PRO 9 -18.238 5.436 0.630 51 2HG PRO 9 1HG PRO 9 -18.466 3.756 1.146 52 1HD PRO 9 2HD PRO 9 -15.983 5.006 0.550 53 2HD PRO 9 1HD PRO 9 -16.256 3.268 0.798 54 H GLU 10 H GLU 10 -15.671 5.840 -2.123 55 HA GLU 10 HA GLU 10 -17.343 7.818 -3.624 56 1HB GLU 10 2HB GLU 10 -15.507 8.055 -1.363 57 2HB GLU 10 1HB GLU 10 -15.095 9.162 -2.672 58 1HG GLU 10 2HG GLU 10 -17.226 10.195 -2.624 59 2HG GLU 10 1HG GLU 10 -17.931 8.883 -1.678 60 H ASN 11 H ASN 11 -14.601 5.789 -3.770 61 HA ASN 11 HA ASN 11 -12.979 7.240 -5.624 62 1HB ASN 11 2HB ASN 11 -12.911 4.761 -4.278 63 2HB ASN 11 1HB ASN 11 -12.825 4.388 -5.995 64 1HD2 ASN 11 1HD2 ASN 11 -10.554 3.881 -4.474 65 2HD2 ASN 11 2HD2 ASN 11 -9.346 5.011 -4.838 66 HA PRO 12 HA PRO 12 -15.377 6.607 -9.306 67 1HB PRO 12 2HB PRO 12 -13.431 7.362 -11.092 68 2HB PRO 12 1HB PRO 12 -14.349 8.516 -10.109 69 1HG PRO 12 2HG PRO 12 -11.525 7.619 -9.799 70 2HG PRO 12 1HG PRO 12 -12.283 9.134 -9.282 71 1HD PRO 12 2HD PRO 12 -11.676 6.912 -7.623 72 2HD PRO 12 1HD PRO 12 -12.683 8.309 -7.182 73 H CYS 13 H CYS 13 -12.035 5.388 -9.192 74 HA CYS 13 HA CYS 13 -12.599 3.278 -11.181 75 1HB CYS 13 2HB CYS 13 -10.272 4.598 -10.118 76 2HB CYS 13 1HB CYS 13 -10.107 2.857 -9.900 77 H CYS 14 H CYS 14 -14.025 3.299 -8.545 78 HA CYS 14 HA CYS 14 -13.190 0.563 -7.739 79 1HB CYS 14 2HB CYS 14 -13.740 2.825 -5.809 80 2HB CYS 14 1HB CYS 14 -13.315 1.175 -5.386 81 H ASP 15 H ASP 15 -14.854 -0.533 -6.423 82 HA ASP 15 HA ASP 15 -17.603 0.551 -6.786 83 1HB ASP 15 2HB ASP 15 -16.689 -1.336 -8.470 84 2HB ASP 15 1HB ASP 15 -17.214 -2.359 -7.138 85 H ALA 16 H ALA 16 -18.622 0.516 -4.841 86 HA ALA 16 HA ALA 16 -17.462 -1.056 -2.653 87 1HB ALA 16 1HB ALA 16 -18.380 1.435 -2.623 88 2HB ALA 16 2HB ALA 16 -18.542 0.394 -1.210 89 3HB ALA 16 3HB ALA 16 -19.910 0.621 -2.299 90 H ALA 17 H ALA 17 -19.787 -1.594 -4.998 91 HA ALA 17 HA ALA 17 -21.489 -3.243 -3.193 92 1HB ALA 17 1HB ALA 17 -22.301 -1.589 -5.132 93 2HB ALA 17 2HB ALA 17 -23.171 -3.080 -4.767 94 3HB ALA 17 3HB ALA 17 -22.043 -3.026 -6.122 95 H THR 18 H THR 18 -18.836 -3.525 -5.281 96 HA THR 18 HA THR 18 -19.231 -6.476 -5.376 97 HB THR 18 HB THR 18 -19.051 -4.627 -7.598 98 HG1 THR 18 HG1 THR 18 -20.305 -6.716 -7.022 99 1HG2 THR 18 1HG2 THR 18 -17.425 -5.843 -8.970 100 2HG2 THR 18 2HG2 THR 18 -17.050 -6.904 -7.612 101 3HG2 THR 18 3HG2 THR 18 -16.635 -5.192 -7.533 102 H CYS 19 H CYS 19 -17.450 -4.055 -4.130 103 HA CYS 19 HA CYS 19 -15.216 -3.825 -3.441 104 1HB CYS 19 2HB CYS 19 -16.164 -6.476 -2.791 105 2HB CYS 19 1HB CYS 19 -14.434 -6.481 -3.039 106 H LYS 20 H LYS 20 -14.632 -3.177 -5.691 107 HA LYS 20 HA LYS 20 -12.282 -4.482 -6.576 108 1HB LYS 20 2HB LYS 20 -14.787 -5.564 -7.709 109 2HB LYS 20 1HB LYS 20 -13.545 -5.155 -8.891 110 1HG LYS 20 2HG LYS 20 -12.271 -6.459 -6.687 111 2HG LYS 20 1HG LYS 20 -13.648 -7.442 -7.190 112 1HD LYS 20 2HD LYS 20 -12.743 -7.904 -9.240 113 2HD LYS 20 1HD LYS 20 -11.976 -6.320 -9.375 114 1HE LYS 20 2HE LYS 20 -10.054 -7.023 -8.370 115 2HE LYS 20 1HE LYS 20 -10.913 -8.049 -7.222 116 1HZ LYS 20 1HZ LYS 20 -9.818 -8.698 -9.810 117 2HZ LYS 20 2HZ LYS 20 -11.391 -9.287 -9.558 118 3HZ LYS 20 3HZ LYS 20 -10.142 -9.705 -8.485 119 H LEU 21 H LEU 21 -12.259 -3.892 -9.297 120 HA LEU 21 HA LEU 21 -12.244 -0.968 -9.203 121 1HB LEU 21 2HB LEU 21 -11.351 -3.071 -11.136 122 2HB LEU 21 1HB LEU 21 -11.636 -1.442 -11.753 123 HG LEU 21 HG LEU 21 -9.974 -1.909 -9.286 124 1HD1 LEU 21 1HD1 LEU 21 -8.889 -1.665 -12.101 125 2HD1 LEU 21 2HD1 LEU 21 -9.097 -3.217 -11.291 126 3HD1 LEU 21 3HD1 LEU 21 -7.988 -2.018 -10.628 127 1HD2 LEU 21 1HD2 LEU 21 -10.888 0.344 -10.779 128 2HD2 LEU 21 2HD2 LEU 21 -9.133 0.252 -10.933 129 3HD2 LEU 21 3HD2 LEU 21 -9.877 0.327 -9.334 130 H ARG 22 H ARG 22 -13.811 0.369 -10.056 131 HA ARG 22 HA ARG 22 -16.337 -0.806 -10.863 132 1HB ARG 22 2HB ARG 22 -15.494 1.718 -9.985 133 2HB ARG 22 1HB ARG 22 -16.042 1.981 -11.641 134 1HG ARG 22 2HG ARG 22 -18.141 0.699 -11.054 135 2HG ARG 22 1HG ARG 22 -17.612 0.738 -9.371 136 1HD ARG 22 2HD ARG 22 -18.028 2.981 -9.151 137 2HD ARG 22 1HD ARG 22 -17.579 3.333 -10.819 138 HE ARG 22 HE ARG 22 -20.076 1.829 -10.563 139 1HH1 ARG 22 1HH2 ARG 22 -19.731 4.697 -9.168 140 2HH1 ARG 22 2HH2 ARG 22 -20.605 5.645 -10.324 141 1HH2 ARG 22 1HH1 ARG 22 -20.691 3.135 -12.714 142 2HH2 ARG 22 2HH1 ARG 22 -21.148 4.761 -12.332 143 HA PRO 23 HA PRO 23 -15.083 0.697 -15.215 144 1HB PRO 23 2HB PRO 23 -12.602 1.818 -15.527 145 2HB PRO 23 1HB PRO 23 -14.040 2.757 -15.087 146 1HG PRO 23 2HG PRO 23 -11.758 1.902 -13.375 147 2HG PRO 23 1HG PRO 23 -12.812 3.315 -13.207 148 1HD PRO 23 2HD PRO 23 -12.995 0.921 -11.713 149 2HD PRO 23 1HD PRO 23 -14.232 2.191 -11.810 150 H GLY 24 H GLY 24 -12.702 0.365 -16.680 151 1HA GLY 24 2HA GLY 24 -12.017 -2.462 -16.018 152 2HA GLY 24 1HA GLY 24 -11.922 -1.756 -17.632 153 H ALA 25 H ALA 25 -10.823 0.223 -15.032 154 HA ALA 25 HA ALA 25 -8.215 0.551 -16.098 155 1HB ALA 25 1HB ALA 25 -9.414 2.063 -14.429 156 2HB ALA 25 2HB ALA 25 -7.706 1.769 -14.100 157 3HB ALA 25 3HB ALA 25 -8.942 0.907 -13.184 158 H GLN 26 H GLN 26 -6.339 0.149 -14.161 159 HA GLN 26 HA GLN 26 -6.371 -2.819 -13.855 160 1HB GLN 26 2HB GLN 26 -4.375 -0.956 -14.820 161 2HB GLN 26 1HB GLN 26 -3.744 -1.941 -13.500 162 1HG GLN 26 2HG GLN 26 -3.381 -3.489 -15.128 163 2HG GLN 26 1HG GLN 26 -5.107 -3.809 -14.961 164 1HE2 GLN 26 1HE2 GLN 26 -2.838 -1.691 -16.792 165 2HE2 GLN 26 2HE2 GLN 26 -3.814 -1.596 -18.177 166 H CYS 27 H CYS 27 -6.831 -0.084 -12.074 167 HA CYS 27 HA CYS 27 -6.626 -1.392 -9.559 168 1HB CYS 27 2HB CYS 27 -4.631 -0.296 -8.631 169 2HB CYS 27 1HB CYS 27 -4.203 -1.304 -10.013 170 H GLY 28 H GLY 28 -7.779 -0.210 -8.088 171 1HA GLY 28 2HA GLY 28 -8.506 2.570 -8.882 172 2HA GLY 28 1HA GLY 28 -9.459 1.542 -7.812 173 H GLU 29 H GLU 29 -6.330 1.029 -6.922 174 HA GLU 29 HA GLU 29 -5.579 3.369 -5.503 175 1HB GLU 29 2HB GLU 29 -6.389 2.972 -3.282 176 2HB GLU 29 1HB GLU 29 -7.787 2.841 -4.350 177 1HG GLU 29 2HG GLU 29 -8.086 0.892 -3.173 178 2HG GLU 29 1HG GLU 29 -6.992 0.278 -4.412 179 H GLY 30 H GLY 30 -3.449 3.013 -5.111 180 1HA GLY 30 1HA GLY 30 -2.480 0.617 -3.807 181 2HA GLY 30 2HA GLY 30 -2.085 0.613 -5.523 182 H LEU 31 H LEU 31 -0.083 0.741 -3.513 183 HA LEU 31 HA LEU 31 0.795 3.388 -2.915 184 1HB LEU 31 2HB LEU 31 1.798 0.754 -2.585 185 2HB LEU 31 1HB LEU 31 3.056 1.713 -3.346 186 HG LEU 31 HG LEU 31 3.182 1.851 -0.878 187 1HD1 LEU 31 1HD1 LEU 31 2.207 4.475 -2.031 188 2HD1 LEU 31 2HD1 LEU 31 3.787 3.789 -2.412 189 3HD1 LEU 31 3HD1 LEU 31 3.397 4.236 -0.752 190 1HD2 LEU 31 1HD2 LEU 31 0.947 3.563 -0.391 191 2HD2 LEU 31 2HD2 LEU 31 1.277 1.982 0.318 192 3HD2 LEU 31 3HD2 LEU 31 0.345 2.102 -1.175 193 H CYS 32 H CYS 32 0.673 1.670 -5.850 194 HA CYS 32 HA CYS 32 2.203 3.835 -7.186 195 1HB CYS 32 2HB CYS 32 2.551 0.880 -7.782 196 2HB CYS 32 1HB CYS 32 3.364 2.211 -8.608 197 H CYS 33 H CYS 33 -0.709 2.929 -6.868 198 HA CYS 33 HA CYS 33 -1.433 2.056 -9.565 199 1HB CYS 33 2HB CYS 33 -2.864 1.338 -7.754 200 2HB CYS 33 1HB CYS 33 -3.113 2.999 -7.223 201 H GLU 34 H GLU 34 -0.875 3.603 -11.074 202 HA GLU 34 HA GLU 34 -1.089 6.425 -10.722 203 1HB GLU 34 2HB GLU 34 -0.080 4.792 -12.664 204 2HB GLU 34 1HB GLU 34 -1.531 5.412 -13.442 205 1HG GLU 34 2HG GLU 34 -0.788 7.602 -13.421 206 2HG GLU 34 1HG GLU 34 0.214 7.352 -11.990 207 H GLN 35 H GLN 35 -2.635 7.493 -12.690 208 HA GLN 35 HA GLN 35 -5.250 7.462 -11.589 209 1HB GLN 35 2HB GLN 35 -3.995 8.539 -14.067 210 2HB GLN 35 1HB GLN 35 -5.752 8.377 -14.069 211 1HG GLN 35 2HG GLN 35 -4.825 9.496 -11.559 212 2HG GLN 35 1HG GLN 35 -4.266 10.464 -12.923 213 1HE2 GLN 35 1HE2 GLN 35 -6.306 10.382 -14.742 214 2HE2 GLN 35 2HE2 GLN 35 -7.756 10.953 -14.068 215 H CYS 36 H CYS 36 -5.893 5.236 -11.450 216 HA CYS 36 HA CYS 36 -6.949 3.292 -12.223 217 1HB CYS 36 2HB CYS 36 -7.564 5.203 -14.491 218 2HB CYS 36 1HB CYS 36 -8.268 3.591 -14.356 219 H LYS 37 H LYS 37 -4.161 3.393 -12.674 220 HA LYS 37 HA LYS 37 -3.949 1.473 -14.867 221 1HB LYS 37 2HB LYS 37 -3.801 3.775 -15.961 222 2HB LYS 37 1HB LYS 37 -2.293 4.001 -15.074 223 1HG LYS 37 2HG LYS 37 -1.177 2.358 -16.278 224 2HG LYS 37 1HG LYS 37 -2.662 1.491 -16.671 225 1HD LYS 37 2HD LYS 37 -2.715 4.182 -17.761 226 2HD LYS 37 1HD LYS 37 -1.298 3.298 -18.328 227 1HE LYS 37 2HE LYS 37 -2.541 1.864 -19.572 228 2HE LYS 37 1HE LYS 37 -3.774 1.706 -18.320 229 1HZ LYS 37 1HZ LYS 37 -3.535 3.725 -20.445 230 2HZ LYS 37 2HZ LYS 37 -4.347 4.116 -19.006 231 3HZ LYS 37 3HZ LYS 37 -4.892 2.825 -19.967 232 H PHE 38 H PHE 38 -2.249 0.075 -14.458 233 HA PHE 38 HA PHE 38 -0.940 0.152 -11.923 234 1HB PHE 38 2HB PHE 38 -0.555 -1.431 -14.446 235 2HB PHE 38 1HB PHE 38 0.657 -1.538 -13.171 236 HD1 PHE 38 HD1 PHE 38 -1.022 -1.265 -10.737 237 HD2 PHE 38 HD2 PHE 38 -1.692 -3.491 -14.348 238 HE1 PHE 38 HE1 PHE 38 -2.473 -2.845 -9.493 239 HE2 PHE 38 HE2 PHE 38 -3.144 -5.072 -13.104 240 HZ PHE 38 HZ PHE 38 -3.533 -4.749 -10.677 241 H SER 39 H SER 39 0.733 1.438 -11.294 242 HA SER 39 HA SER 39 2.034 3.324 -12.903 243 1HB SER 39 2HB SER 39 2.450 3.701 -10.666 244 2HB SER 39 1HB SER 39 2.703 1.996 -10.335 245 HG SER 39 HG SER 39 4.527 3.822 -10.749 246 H ARG 40 H ARG 40 4.393 3.308 -13.554 247 HA ARG 40 HA ARG 40 4.951 0.846 -15.019 248 1HB ARG 40 2HB ARG 40 5.733 3.630 -15.198 249 2HB ARG 40 1HB ARG 40 7.120 2.556 -15.365 250 1HG ARG 40 2HG ARG 40 4.534 2.280 -16.925 251 2HG ARG 40 1HG ARG 40 6.000 3.034 -17.551 252 1HD ARG 40 2HD ARG 40 7.232 0.969 -17.358 253 2HD ARG 40 1HD ARG 40 5.902 0.196 -16.495 254 HE ARG 40 HE ARG 40 6.049 0.642 -19.395 255 1HH1 ARG 40 1HH2 ARG 40 3.377 1.642 -18.738 256 2HH1 ARG 40 2HH2 ARG 40 2.408 0.206 -18.695 257 1HH2 ARG 40 1HH1 ARG 40 5.121 -1.936 -18.433 258 2HH2 ARG 40 2HH1 ARG 40 3.395 -1.818 -18.521 259 H ALA 41 H ALA 41 6.454 -0.652 -14.424 260 HA ALA 41 HA ALA 41 7.370 -1.125 -11.911 261 1HB ALA 41 1HB ALA 41 9.403 -1.543 -14.056 262 2HB ALA 41 2HB ALA 41 7.844 -2.350 -14.230 263 3HB ALA 41 3HB ALA 41 8.843 -2.658 -12.809 264 H GLY 42 H GLY 42 9.354 -0.702 -10.737 265 1HA GLY 42 2HA GLY 42 11.301 0.563 -10.212 266 2HA GLY 42 1HA GLY 42 11.041 1.498 -11.679 267 H LYS 43 H LYS 43 8.278 1.005 -9.664 268 HA LYS 43 HA LYS 43 8.096 3.881 -9.180 269 1HB LYS 43 2HB LYS 43 6.122 2.295 -9.618 270 2HB LYS 43 1HB LYS 43 6.339 1.775 -7.948 271 1HG LYS 43 2HG LYS 43 5.894 4.648 -8.791 272 2HG LYS 43 1HG LYS 43 4.643 3.579 -8.167 273 1HD LYS 43 2HD LYS 43 6.337 3.268 -6.169 274 2HD LYS 43 1HD LYS 43 6.960 4.818 -6.737 275 1HE LYS 43 2HE LYS 43 4.016 4.372 -6.234 276 2HE LYS 43 1HE LYS 43 5.109 4.917 -4.962 277 1HZ LYS 43 1HZ LYS 43 5.628 6.464 -7.209 278 2HZ LYS 43 2HZ LYS 43 4.906 6.958 -5.754 279 3HZ LYS 43 3HZ LYS 43 3.941 6.415 -7.043 280 H ILE 44 H ILE 44 9.037 4.856 -7.425 281 HA ILE 44 HA ILE 44 10.019 3.200 -5.232 282 HB ILE 44 HB ILE 44 11.322 5.146 -5.735 283 1HG1 ILE 44 2HG1 ILE 44 11.028 6.540 -3.618 284 2HG1 ILE 44 1HG1 ILE 44 9.626 5.531 -3.253 285 1HG2 ILE 44 1HG2 ILE 44 8.629 6.409 -5.867 286 2HG2 ILE 44 2HG2 ILE 44 10.024 6.619 -6.925 287 3HG2 ILE 44 3HG2 ILE 44 9.978 7.424 -5.356 288 1HD1 ILE 44 1HD1 ILE 44 10.909 3.638 -2.886 289 2HD1 ILE 44 2HD1 ILE 44 12.044 4.880 -2.355 290 3HD1 ILE 44 3HD1 ILE 44 12.196 4.175 -3.965 291 H CYS 45 H CYS 45 8.145 2.226 -4.429 292 HA CYS 45 HA CYS 45 5.781 3.749 -3.637 293 1HB CYS 45 2HB CYS 45 5.138 1.550 -2.579 294 2HB CYS 45 1HB CYS 45 5.507 1.441 -4.299 295 H ARG 46 H ARG 46 8.776 3.765 -2.366 296 HA ARG 46 HA ARG 46 7.986 4.872 0.138 297 1HB ARG 46 2HB ARG 46 7.313 2.502 0.584 298 2HB ARG 46 1HB ARG 46 8.995 2.022 0.361 299 1HG ARG 46 2HG ARG 46 9.556 3.768 2.164 300 2HG ARG 46 1HG ARG 46 7.828 3.783 2.519 301 1HD ARG 46 2HD ARG 46 8.010 1.869 3.687 302 2HD ARG 46 1HD ARG 46 8.741 1.058 2.303 303 HE ARG 46 HE ARG 46 10.448 2.759 4.054 304 1HH1 ARG 46 1HH1 ARG 46 11.576 1.063 1.841 305 2HH1 ARG 46 2HH1 ARG 46 12.123 -0.335 2.706 306 1HH2 ARG 46 1HH2 ARG 46 10.279 0.376 5.554 307 2HH2 ARG 46 2HH2 ARG 46 11.389 -0.723 4.807 308 H ILE 47 H ILE 47 9.700 6.010 0.910 309 HA ILE 47 HA ILE 47 12.316 5.631 -0.399 310 HB ILE 47 HB ILE 47 11.540 7.915 -0.184 311 1HG1 ILE 47 2HG1 ILE 47 13.355 8.846 1.358 312 2HG1 ILE 47 1HG1 ILE 47 13.753 7.172 1.743 313 1HG2 ILE 47 1HG2 ILE 47 10.507 6.958 2.290 314 2HG2 ILE 47 2HG2 ILE 47 10.267 8.545 1.560 315 3HG2 ILE 47 3HG2 ILE 47 11.617 8.275 2.662 316 1HD1 ILE 47 1HD1 ILE 47 15.164 7.419 -0.048 317 2HD1 ILE 47 2HD1 ILE 47 14.181 8.687 -0.779 318 3HD1 ILE 47 3HD1 ILE 47 13.708 6.996 -0.946 319 H ALA 48 H ALA 48 13.845 4.348 0.536 320 HA ALA 48 HA ALA 48 13.598 2.935 2.921 321 1HB ALA 48 1HB ALA 48 15.681 2.186 2.438 322 2HB ALA 48 2HB ALA 48 16.362 3.812 2.491 323 3HB ALA 48 3HB ALA 48 15.596 3.224 1.014 324 H ARG 49 H ARG 49 15.097 3.303 4.932 325 HA ARG 49 HA ARG 49 14.586 6.072 5.857 326 1HB ARG 49 2HB ARG 49 15.490 3.920 7.683 327 2HB ARG 49 1HB ARG 49 14.384 5.250 8.002 328 1HG ARG 49 2HG ARG 49 13.772 2.848 6.252 329 2HG ARG 49 1HG ARG 49 13.184 3.084 7.899 330 1HD ARG 49 2HD ARG 49 12.546 5.467 6.582 331 2HD ARG 49 1HD ARG 49 12.173 4.203 5.410 332 HE ARG 49 HE ARG 49 10.965 3.186 7.592 333 1HH1 ARG 49 1HH2 ARG 49 9.691 5.080 5.428 334 2HH1 ARG 49 2HH2 ARG 49 8.777 6.123 6.468 335 1HH2 ARG 49 1HH1 ARG 49 10.396 5.103 9.358 336 2HH2 ARG 49 2HH1 ARG 49 9.176 6.136 8.690 337 H GLY 50 H GLY 50 17.086 3.619 6.233 338 1HA GLY 50 2HA GLY 50 19.062 5.704 6.827 339 2HA GLY 50 1HA GLY 50 19.338 3.970 6.949 340 H ASP 51 H ASP 51 20.661 3.178 5.398 341 HA ASP 51 HA ASP 51 20.667 4.508 2.746 342 1HB ASP 51 2HB ASP 51 22.801 4.309 4.614 343 2HB ASP 51 1HB ASP 51 23.189 3.279 3.237 344 H TRP 52 H TRP 52 19.875 3.066 1.285 345 HA TRP 52 HA TRP 52 21.081 0.544 0.793 346 1HB TRP 52 2HB TRP 52 18.657 -0.592 1.483 347 2HB TRP 52 1HB TRP 52 20.148 -0.736 2.408 348 HD1 TRP 52 HD1 TRP 52 17.684 2.242 2.111 349 HE1 TRP 52 HE1 TRP 52 16.988 2.935 4.495 350 HE3 TRP 52 HE3 TRP 52 20.162 -1.296 4.807 351 HZ2 TRP 52 HZ2 TRP 52 17.432 2.089 7.200 352 HZ3 TRP 52 HZ3 TRP 52 20.015 -1.339 7.281 353 HH2 TRP 52 HH2 TRP 52 18.653 0.350 8.479 354 H ASN 53 H ASN 53 19.025 -0.892 -0.346 355 HA ASN 53 HA ASN 53 18.498 0.643 -2.730 356 1HB ASN 53 2HB ASN 53 18.464 -2.060 -2.014 357 2HB ASN 53 1HB ASN 53 16.787 -1.690 -2.418 358 1HD2 ASN 53 1HD2 ASN 53 16.615 -2.534 -4.534 359 2HD2 ASN 53 2HD2 ASN 53 17.623 -2.077 -5.820 360 H ASP 54 H ASP 54 16.095 0.592 -3.598 361 HA ASP 54 HA ASP 54 14.328 1.622 -1.416 362 1HB ASP 54 2HB ASP 54 15.131 2.774 -3.975 363 2HB ASP 54 1HB ASP 54 13.386 2.759 -3.748 364 H ASP 55 H ASP 55 11.970 1.354 -1.890 365 HA ASP 55 HA ASP 55 11.472 -1.304 -3.018 366 1HB ASP 55 2HB ASP 55 9.498 0.675 -1.915 367 2HB ASP 55 1HB ASP 55 9.228 -1.044 -2.162 368 H ARG 56 H ARG 56 10.906 -1.628 -5.115 369 HA ARG 56 HA ARG 56 9.796 0.698 -6.631 370 1HB ARG 56 2HB ARG 56 11.253 -1.657 -7.781 371 2HB ARG 56 1HB ARG 56 10.860 -0.147 -8.586 372 1HG ARG 56 2HG ARG 56 12.447 0.071 -6.086 373 2HG ARG 56 1HG ARG 56 13.279 -0.624 -7.477 374 1HD ARG 56 2HD ARG 56 12.270 1.403 -8.780 375 2HD ARG 56 1HD ARG 56 12.067 2.115 -7.179 376 HE ARG 56 HE ARG 56 14.738 1.144 -7.397 377 1HH1 ARG 56 1HH1 ARG 56 13.677 2.650 -10.020 378 2HH1 ARG 56 2HH1 ARG 56 14.465 4.172 -9.773 379 1HH2 ARG 56 1HH2 ARG 56 15.310 3.498 -6.478 380 2HH2 ARG 56 2HH2 ARG 56 15.390 4.652 -7.767 381 H CYS 57 H CYS 57 7.749 0.370 -7.576 382 HA CYS 57 HA CYS 57 6.414 -2.177 -7.065 383 1HB CYS 57 2HB CYS 57 5.507 0.330 -8.504 384 2HB CYS 57 1HB CYS 57 4.515 -1.117 -8.367 385 H THR 58 H THR 58 5.563 -3.543 -8.784 386 HA THR 58 HA THR 58 7.449 -3.797 -11.001 387 HB THR 58 HB THR 58 6.431 -5.871 -11.428 388 HG1 THR 58 HG1 THR 58 4.352 -6.005 -11.499 389 1HG2 THR 58 1HG2 THR 58 7.342 -5.553 -9.035 390 2HG2 THR 58 2HG2 THR 58 6.306 -6.950 -9.329 391 3HG2 THR 58 3HG2 THR 58 5.650 -5.517 -8.538 392 H GLY 59 H GLY 59 6.025 -4.505 -13.172 393 1HA GLY 59 2HA GLY 59 4.733 -1.952 -13.919 394 2HA GLY 59 1HA GLY 59 5.247 -3.215 -15.038 395 H GLN 60 H GLN 60 3.495 -4.237 -12.235 396 HA GLN 60 HA GLN 60 0.865 -4.073 -13.518 397 1HB GLN 60 2HB GLN 60 1.153 -6.848 -12.910 398 2HB GLN 60 1HB GLN 60 0.816 -6.108 -14.472 399 1HG GLN 60 2HG GLN 60 3.093 -6.046 -15.072 400 2HG GLN 60 1HG GLN 60 3.632 -6.224 -13.400 401 1HE2 GLN 60 1HE2 GLN 60 4.874 -8.066 -14.777 402 2HE2 GLN 60 2HE2 GLN 60 4.116 -9.584 -14.757 403 H SER 61 H SER 61 2.421 -3.559 -10.874 404 HA SER 61 HA SER 61 0.398 -4.891 -9.124 405 1HB SER 61 2HB SER 61 3.295 -4.324 -8.653 406 2HB SER 61 1HB SER 61 2.192 -4.555 -7.307 407 HG SER 61 HG SER 61 3.151 -6.520 -7.951 408 H ALA 62 H ALA 62 -0.237 -3.613 -7.212 409 HA ALA 62 HA ALA 62 0.072 -0.672 -7.688 410 1HB ALA 62 1HB ALA 62 -2.285 -2.138 -7.734 411 2HB ALA 62 2HB ALA 62 -2.167 -0.395 -7.495 412 3HB ALA 62 3HB ALA 62 -2.257 -1.471 -6.100 413 H ASP 63 H ASP 63 -0.251 -3.242 -5.255 414 HA ASP 63 HA ASP 63 0.210 -1.415 -3.039 415 1HB ASP 63 2HB ASP 63 0.712 -4.346 -2.866 416 2HB ASP 63 1HB ASP 63 0.054 -3.263 -1.648 417 H CYS 64 H CYS 64 2.145 -2.243 -1.487 418 HA CYS 64 HA CYS 64 4.583 -2.666 -3.126 419 1HB CYS 64 2HB CYS 64 4.512 -0.281 -2.980 420 2HB CYS 64 1HB CYS 64 4.064 -0.330 -1.277 421 HA PRO 65 HA PRO 65 5.288 -5.300 0.328 422 1HB PRO 65 2HB PRO 65 7.587 -6.364 -0.707 423 2HB PRO 65 1HB PRO 65 5.977 -6.878 -1.207 424 1HG PRO 65 2HG PRO 65 7.977 -5.230 -2.660 425 2HG PRO 65 1HG PRO 65 6.642 -6.200 -3.305 426 1HD PRO 65 2HD PRO 65 6.674 -3.379 -2.980 427 2HD PRO 65 1HD PRO 65 5.266 -4.383 -3.386 428 H ARG 66 H ARG 66 7.969 -5.931 1.055 429 HA ARG 66 HA ARG 66 9.462 -3.461 1.420 430 1HB ARG 66 2HB ARG 66 9.365 -3.543 3.906 431 2HB ARG 66 1HB ARG 66 7.792 -3.192 3.187 432 1HG ARG 66 2HG ARG 66 7.085 -4.883 4.548 433 2HG ARG 66 1HG ARG 66 7.702 -5.908 3.253 434 1HD ARG 66 2HD ARG 66 9.986 -5.684 4.513 435 2HD ARG 66 1HD ARG 66 8.979 -5.224 5.887 436 HE ARG 66 HE ARG 66 9.406 -7.860 5.246 437 1HH1 ARG 66 1HH1 ARG 66 6.898 -5.892 6.293 438 2HH1 ARG 66 2HH1 ARG 66 5.646 -7.071 6.077 439 1HH2 ARG 66 1HH2 ARG 66 7.706 -9.346 4.461 440 2HH2 ARG 66 2HH2 ARG 66 6.104 -9.028 5.041 441 H TYR 67 H TYR 67 11.612 -3.893 2.106 442 HA TYR 67 HA TYR 67 12.443 -6.423 3.158 443 1HB TYR 67 2HB TYR 67 11.876 -7.218 0.918 444 2HB TYR 67 1HB TYR 67 12.900 -5.971 0.223 445 HD1 TYR 67 HD1 TYR 67 13.240 -8.495 2.978 446 HD2 TYR 67 HD2 TYR 67 14.944 -6.756 -0.560 447 HE1 TYR 67 HE1 TYR 67 15.208 -9.989 3.192 448 HE2 TYR 67 HE2 TYR 67 16.912 -8.249 -0.348 449 HH TYR 67 HH TYR 67 17.317 -10.606 0.775 450 H HIS 68 HN HIS 68 13.425 -4.636 4.454 451 HA HIS 68 HA HIS 68 15.665 -3.226 3.124 452 1HB HIS 68 2HB HIS 68 15.865 -2.008 5.260 453 2HB HIS 68 1HB HIS 68 14.209 -1.945 4.657 454 HD1 HIS 68 HD1 HIS 68 16.241 -3.083 7.514 455 HD2 HIS 68 HD2 HIS 68 12.407 -3.803 6.044 456 HE1 HIS 68 HE1 HIS 68 14.954 -4.202 9.386 Start of MODEL 8 1 1H GLY 1 1HT GLY 1 -7.497 -12.574 -2.980 2 2H GLY 1 2HT GLY 1 -6.530 -13.924 -2.619 3 3H GLY 1 3HT GLY 1 -6.006 -12.363 -2.200 4 1HA GLY 1 1HA GLY 1 -7.573 -14.157 -0.699 5 2HA GLY 1 2HA GLY 1 -6.935 -12.584 -0.221 6 H LYS 2 H LYS 2 -8.301 -10.774 -0.326 7 HA LYS 2 HA LYS 2 -11.167 -11.373 -0.445 8 1HB LYS 2 2HB LYS 2 -11.405 -8.944 0.139 9 2HB LYS 2 1HB LYS 2 -10.388 -9.836 1.271 10 1HG LYS 2 2HG LYS 2 -8.644 -8.966 -0.751 11 2HG LYS 2 1HG LYS 2 -9.694 -7.587 -0.423 12 1HD LYS 2 2HD LYS 2 -9.134 -7.592 1.902 13 2HD LYS 2 1HD LYS 2 -8.351 -9.168 1.779 14 1HE LYS 2 2HE LYS 2 -6.636 -7.440 1.843 15 2HE LYS 2 1HE LYS 2 -6.665 -8.157 0.233 16 1HZ LYS 2 1HZ LYS 2 -6.936 -6.108 -0.534 17 2HZ LYS 2 2HZ LYS 2 -7.196 -5.474 1.021 18 3HZ LYS 2 3HZ LYS 2 -8.495 -6.120 0.137 19 H GLU 3 H GLU 3 -12.632 -9.999 -1.796 20 HA GLU 3 HA GLU 3 -11.402 -9.529 -4.478 21 1HB GLU 3 2HB GLU 3 -13.736 -9.776 -5.326 22 2HB GLU 3 1HB GLU 3 -13.168 -11.217 -4.479 23 1HG GLU 3 2HG GLU 3 -14.390 -9.314 -2.645 24 2HG GLU 3 1HG GLU 3 -15.507 -9.794 -3.922 25 H CYS 4 H CYS 4 -10.892 -7.434 -2.880 26 HA CYS 4 HA CYS 4 -12.901 -5.445 -3.770 27 1HB CYS 4 2HB CYS 4 -12.923 -6.017 -1.245 28 2HB CYS 4 1HB CYS 4 -11.448 -5.099 -1.213 29 H ASP 5 H ASP 5 -11.600 -4.801 -5.530 30 HA ASP 5 HA ASP 5 -8.789 -4.178 -5.253 31 1HB ASP 5 2HB ASP 5 -10.358 -4.653 -7.386 32 2HB ASP 5 1HB ASP 5 -10.378 -2.889 -7.412 33 H CYS 6 H CYS 6 -11.466 -2.605 -4.058 34 HA CYS 6 HA CYS 6 -9.957 -0.030 -3.973 35 1HB CYS 6 2HB CYS 6 -12.297 1.060 -4.002 36 2HB CYS 6 1HB CYS 6 -11.683 0.435 -5.532 37 H SER 7 H SER 7 -10.728 1.361 -2.106 38 HA SER 7 HA SER 7 -11.540 -0.395 0.176 39 1HB SER 7 2HB SER 7 -10.174 0.911 1.611 40 2HB SER 7 1HB SER 7 -9.200 0.681 0.163 41 HG SER 7 HG SER 7 -9.843 2.943 1.254 42 H SER 8 H SER 8 -12.382 2.330 -1.726 43 HA SER 8 HA SER 8 -14.408 3.135 0.316 44 1HB SER 8 2HB SER 8 -12.556 4.697 -1.168 45 2HB SER 8 1HB SER 8 -14.170 5.087 -1.751 46 HG SER 8 HG SER 8 -13.046 5.959 0.422 47 HA PRO 9 HA PRO 9 -17.245 1.557 -2.730 48 1HB PRO 9 2HB PRO 9 -19.518 2.082 -1.278 49 2HB PRO 9 1HB PRO 9 -18.453 0.701 -0.961 50 1HG PRO 9 2HG PRO 9 -18.758 3.228 0.589 51 2HG PRO 9 1HG PRO 9 -18.217 1.634 1.139 52 1HD PRO 9 2HD PRO 9 -16.553 3.861 0.560 53 2HD PRO 9 1HD PRO 9 -16.015 2.189 0.835 54 H GLU 10 H GLU 10 -16.527 4.684 -2.192 55 HA GLU 10 HA GLU 10 -18.848 5.691 -3.793 56 1HB GLU 10 2HB GLU 10 -17.417 6.789 -1.454 57 2HB GLU 10 1HB GLU 10 -17.695 7.949 -2.753 58 1HG GLU 10 2HG GLU 10 -20.041 6.283 -2.238 59 2HG GLU 10 1HG GLU 10 -19.548 7.201 -0.816 60 H ASN 11 H ASN 11 -15.504 5.084 -3.769 61 HA ASN 11 HA ASN 11 -14.501 7.182 -5.395 62 1HB ASN 11 2HB ASN 11 -13.504 4.801 -4.311 63 2HB ASN 11 1HB ASN 11 -13.325 4.605 -6.054 64 1HD2 ASN 11 1HD2 ASN 11 -10.906 4.792 -5.171 65 2HD2 ASN 11 2HD2 ASN 11 -10.253 6.358 -5.183 66 HA PRO 12 HA PRO 12 -16.310 6.339 -9.308 67 1HB PRO 12 2HB PRO 12 -14.390 7.477 -10.915 68 2HB PRO 12 1HB PRO 12 -15.550 8.416 -9.960 69 1HG PRO 12 2HG PRO 12 -12.647 7.953 -9.458 70 2HG PRO 12 1HG PRO 12 -13.668 9.313 -8.964 71 1HD PRO 12 2HD PRO 12 -12.849 7.174 -7.304 72 2HD PRO 12 1HD PRO 12 -14.134 8.345 -6.936 73 H CYS 13 H CYS 13 -13.038 5.271 -8.622 74 HA CYS 13 HA CYS 13 -13.082 3.432 -10.953 75 1HB CYS 13 2HB CYS 13 -11.021 4.781 -9.482 76 2HB CYS 13 1HB CYS 13 -10.757 3.041 -9.379 77 H CYS 14 H CYS 14 -14.573 3.293 -8.179 78 HA CYS 14 HA CYS 14 -13.745 0.470 -7.626 79 1HB CYS 14 2HB CYS 14 -13.297 1.812 -5.671 80 2HB CYS 14 1HB CYS 14 -14.893 2.556 -5.756 81 H ASP 15 H ASP 15 -15.463 -0.985 -7.074 82 HA ASP 15 HA ASP 15 -18.158 -0.111 -8.002 83 1HB ASP 15 2HB ASP 15 -16.561 -1.738 -9.477 84 2HB ASP 15 1HB ASP 15 -17.401 -2.913 -8.475 85 H ALA 16 H ALA 16 -19.160 -0.051 -6.021 86 HA ALA 16 HA ALA 16 -18.598 -1.808 -3.847 87 1HB ALA 16 1HB ALA 16 -19.912 0.471 -3.941 88 2HB ALA 16 2HB ALA 16 -20.349 -0.742 -2.737 89 3HB ALA 16 3HB ALA 16 -21.308 -0.571 -4.208 90 H ALA 17 H ALA 17 -20.460 -2.226 -6.724 91 HA ALA 17 HA ALA 17 -22.358 -4.153 -5.844 92 1HB ALA 17 1HB ALA 17 -22.581 -3.283 -8.067 93 2HB ALA 17 2HB ALA 17 -22.197 -4.994 -8.249 94 3HB ALA 17 3HB ALA 17 -20.943 -3.779 -8.495 95 H THR 18 H THR 18 -18.934 -4.314 -6.205 96 HA THR 18 HA THR 18 -18.957 -7.072 -5.197 97 HB THR 18 HB THR 18 -18.970 -7.680 -7.473 98 HG1 THR 18 HG1 THR 18 -17.276 -8.791 -6.880 99 1HG2 THR 18 1HG2 THR 18 -18.651 -5.273 -8.232 100 2HG2 THR 18 2HG2 THR 18 -17.854 -6.493 -9.227 101 3HG2 THR 18 3HG2 THR 18 -16.915 -5.544 -8.073 102 H CYS 19 H CYS 19 -17.868 -4.138 -4.696 103 HA CYS 19 HA CYS 19 -15.958 -3.300 -3.555 104 1HB CYS 19 2HB CYS 19 -16.283 -5.948 -2.753 105 2HB CYS 19 1HB CYS 19 -14.586 -5.799 -3.180 106 H LYS 20 H LYS 20 -15.857 -4.610 -6.567 107 HA LYS 20 HA LYS 20 -12.892 -4.280 -6.734 108 1HB LYS 20 2HB LYS 20 -14.826 -5.973 -8.283 109 2HB LYS 20 1HB LYS 20 -13.287 -5.502 -9.006 110 1HG LYS 20 2HG LYS 20 -12.492 -6.309 -6.502 111 2HG LYS 20 1HG LYS 20 -13.827 -7.417 -6.826 112 1HD LYS 20 2HD LYS 20 -12.367 -7.260 -9.233 113 2HD LYS 20 1HD LYS 20 -11.163 -7.407 -7.952 114 1HE LYS 20 2HE LYS 20 -12.881 -9.254 -7.070 115 2HE LYS 20 1HE LYS 20 -13.292 -9.327 -8.784 116 1HZ LYS 20 1HZ LYS 20 -10.458 -9.281 -8.154 117 2HZ LYS 20 2HZ LYS 20 -11.301 -10.184 -9.321 118 3HZ LYS 20 3HZ LYS 20 -11.287 -10.688 -7.698 119 H LEU 21 H LEU 21 -12.064 -3.330 -8.742 120 HA LEU 21 HA LEU 21 -12.792 -0.756 -9.268 121 1HB LEU 21 2HB LEU 21 -11.669 -2.867 -11.096 122 2HB LEU 21 1HB LEU 21 -11.983 -1.241 -11.700 123 HG LEU 21 HG LEU 21 -10.413 -1.674 -9.164 124 1HD1 LEU 21 1HD1 LEU 21 -8.553 -2.309 -10.286 125 2HD1 LEU 21 2HD1 LEU 21 -8.821 -1.108 -11.550 126 3HD1 LEU 21 3HD1 LEU 21 -9.621 -2.678 -11.640 127 1HD2 LEU 21 1HD2 LEU 21 -11.261 0.552 -10.806 128 2HD2 LEU 21 2HD2 LEU 21 -9.502 0.505 -10.699 129 3HD2 LEU 21 3HD2 LEU 21 -10.473 0.574 -9.228 130 H ARG 22 H ARG 22 -14.466 0.298 -10.226 131 HA ARG 22 HA ARG 22 -16.701 -1.288 -11.269 132 1HB ARG 22 2HB ARG 22 -17.451 0.518 -9.970 133 2HB ARG 22 1HB ARG 22 -16.281 1.634 -10.663 134 1HG ARG 22 2HG ARG 22 -18.104 0.460 -12.649 135 2HG ARG 22 1HG ARG 22 -18.921 1.439 -11.431 136 1HD ARG 22 2HD ARG 22 -17.710 3.374 -11.993 137 2HD ARG 22 1HD ARG 22 -16.435 2.456 -12.794 138 HE ARG 22 HE ARG 22 -18.333 1.888 -14.500 139 1HH1 ARG 22 1HH1 ARG 22 -17.190 4.858 -13.406 140 2HH1 ARG 22 2HH1 ARG 22 -18.386 5.812 -14.220 141 1HH2 ARG 22 1HH2 ARG 22 -20.256 3.076 -15.239 142 2HH2 ARG 22 2HH2 ARG 22 -20.122 4.801 -15.258 143 HA PRO 23 HA PRO 23 -15.372 0.973 -15.259 144 1HB PRO 23 2HB PRO 23 -12.959 2.280 -15.247 145 2HB PRO 23 1HB PRO 23 -14.491 3.057 -14.814 146 1HG PRO 23 2HG PRO 23 -12.257 2.210 -13.044 147 2HG PRO 23 1HG PRO 23 -13.494 3.448 -12.775 148 1HD PRO 23 2HD PRO 23 -13.456 0.822 -11.680 149 2HD PRO 23 1HD PRO 23 -14.793 1.987 -11.596 150 H GLY 24 H GLY 24 -12.927 0.967 -16.631 151 1HA GLY 24 2HA GLY 24 -12.149 -1.892 -16.374 152 2HA GLY 24 1HA GLY 24 -11.890 -0.888 -17.800 153 H ALA 25 H ALA 25 -11.163 0.696 -14.872 154 HA ALA 25 HA ALA 25 -8.427 1.091 -15.530 155 1HB ALA 25 1HB ALA 25 -9.699 2.574 -14.009 156 2HB ALA 25 2HB ALA 25 -8.209 2.003 -13.257 157 3HB ALA 25 3HB ALA 25 -9.755 1.281 -12.810 158 H GLN 26 H GLN 26 -6.550 0.343 -14.182 159 HA GLN 26 HA GLN 26 -6.763 -2.563 -13.745 160 1HB GLN 26 2HB GLN 26 -4.627 -0.650 -14.321 161 2HB GLN 26 1HB GLN 26 -4.171 -1.882 -13.147 162 1HG GLN 26 2HG GLN 26 -3.756 -3.159 -14.987 163 2HG GLN 26 1HG GLN 26 -5.504 -3.373 -15.014 164 1HE2 GLN 26 1HE2 GLN 26 -5.824 -3.377 -17.299 165 2HE2 GLN 26 2HE2 GLN 26 -5.457 -2.047 -18.287 166 H CYS 27 H CYS 27 -6.976 0.271 -11.906 167 HA CYS 27 HA CYS 27 -7.235 -1.176 -9.441 168 1HB CYS 27 2HB CYS 27 -5.294 -0.083 -8.268 169 2HB CYS 27 1HB CYS 27 -4.816 -1.278 -9.474 170 H GLY 28 H GLY 28 -7.949 0.238 -7.709 171 1HA GLY 28 2HA GLY 28 -8.919 2.856 -8.749 172 2HA GLY 28 1HA GLY 28 -9.640 1.973 -7.405 173 H GLU 29 H GLU 29 -6.609 1.506 -6.634 174 HA GLU 29 HA GLU 29 -5.524 4.035 -5.919 175 1HB GLU 29 2HB GLU 29 -6.134 4.069 -3.502 176 2HB GLU 29 1HB GLU 29 -7.528 4.304 -4.553 177 1HG GLU 29 2HG GLU 29 -8.487 2.612 -3.399 178 2HG GLU 29 1HG GLU 29 -7.407 1.551 -4.302 179 H GLY 30 H GLY 30 -3.461 3.699 -5.154 180 1HA GLY 30 2HA GLY 30 -2.644 1.580 -3.453 181 2HA GLY 30 1HA GLY 30 -2.350 1.080 -5.118 182 H LEU 31 H LEU 31 -0.154 1.347 -3.542 183 HA LEU 31 HA LEU 31 0.984 4.005 -3.592 184 1HB LEU 31 2HB LEU 31 1.754 1.369 -2.701 185 2HB LEU 31 1HB LEU 31 3.093 2.182 -3.494 186 HG LEU 31 HG LEU 31 2.857 2.592 -0.985 187 1HD1 LEU 31 1HD1 LEU 31 3.838 4.154 -2.960 188 2HD1 LEU 31 2HD1 LEU 31 3.870 4.631 -1.263 189 3HD1 LEU 31 3HD1 LEU 31 2.597 5.234 -2.324 190 1HD2 LEU 31 1HD2 LEU 31 0.661 4.491 -1.816 191 2HD2 LEU 31 2HD2 LEU 31 1.119 3.988 -0.189 192 3HD2 LEU 31 3HD2 LEU 31 0.294 2.857 -1.262 193 H CYS 32 H CYS 32 1.343 1.110 -5.613 194 HA CYS 32 HA CYS 32 2.930 2.713 -7.554 195 1HB CYS 32 2HB CYS 32 2.531 -0.103 -8.239 196 2HB CYS 32 1HB CYS 32 4.030 0.804 -8.078 197 H CYS 33 H CYS 33 0.367 3.544 -7.609 198 HA CYS 33 HA CYS 33 -0.603 2.418 -10.180 199 1HB CYS 33 2HB CYS 33 -1.950 2.179 -7.603 200 2HB CYS 33 1HB CYS 33 -2.952 2.996 -8.801 201 H GLU 34 H GLU 34 -1.059 4.041 -11.577 202 HA GLU 34 HA GLU 34 -1.029 6.816 -10.595 203 1HB GLU 34 2HB GLU 34 -1.683 6.495 -13.410 204 2HB GLU 34 1HB GLU 34 -0.348 7.369 -12.672 205 1HG GLU 34 2HG GLU 34 0.748 5.083 -12.301 206 2HG GLU 34 1HG GLU 34 -0.478 4.435 -13.392 207 H GLN 35 H GLN 35 -2.775 7.896 -12.587 208 HA GLN 35 HA GLN 35 -5.238 7.887 -11.193 209 1HB GLN 35 2HB GLN 35 -4.182 9.031 -13.644 210 2HB GLN 35 1HB GLN 35 -5.858 8.522 -13.853 211 1HG GLN 35 2HG GLN 35 -4.969 10.132 -11.456 212 2HG GLN 35 1HG GLN 35 -5.481 10.901 -12.959 213 1HE2 GLN 35 1HE2 GLN 35 -6.930 11.104 -10.420 214 2HE2 GLN 35 2HE2 GLN 35 -8.450 10.387 -10.656 215 H CYS 36 H CYS 36 -5.853 5.686 -10.851 216 HA CYS 36 HA CYS 36 -7.003 3.711 -11.368 217 1HB CYS 36 2HB CYS 36 -7.855 5.537 -13.618 218 2HB CYS 36 1HB CYS 36 -8.470 3.893 -13.466 219 H LYS 37 H LYS 37 -4.315 3.579 -12.025 220 HA LYS 37 HA LYS 37 -4.397 1.619 -14.192 221 1HB LYS 37 2HB LYS 37 -3.152 4.326 -14.565 222 2HB LYS 37 1HB LYS 37 -2.427 2.922 -15.350 223 1HG LYS 37 2HG LYS 37 -5.097 2.553 -15.892 224 2HG LYS 37 1HG LYS 37 -4.952 4.310 -15.954 225 1HD LYS 37 2HD LYS 37 -4.232 3.965 -18.082 226 2HD LYS 37 1HD LYS 37 -2.704 3.529 -17.316 227 1HE LYS 37 2HE LYS 37 -3.044 1.261 -17.602 228 2HE LYS 37 1HE LYS 37 -4.800 1.412 -17.552 229 1HZ LYS 37 1HZ LYS 37 -4.312 0.972 -19.772 230 2HZ LYS 37 2HZ LYS 37 -2.965 2.007 -19.790 231 3HZ LYS 37 3HZ LYS 37 -4.535 2.653 -19.740 232 H PHE 38 H PHE 38 -2.306 0.460 -14.380 233 HA PHE 38 HA PHE 38 -0.984 0.277 -11.771 234 1HB PHE 38 2HB PHE 38 -0.743 -1.207 -14.384 235 2HB PHE 38 1HB PHE 38 0.462 -1.426 -13.118 236 HD1 PHE 38 HD1 PHE 38 -1.975 -3.216 -14.382 237 HD2 PHE 38 HD2 PHE 38 -1.192 -1.203 -10.670 238 HE1 PHE 38 HE1 PHE 38 -3.487 -4.792 -13.210 239 HE2 PHE 38 HE2 PHE 38 -2.708 -2.777 -9.498 240 HZ PHE 38 HZ PHE 38 -3.856 -4.572 -10.766 241 H SER 39 H SER 39 0.681 1.618 -11.247 242 HA SER 39 HA SER 39 1.973 3.378 -13.043 243 1HB SER 39 2HB SER 39 2.629 2.338 -10.330 244 2HB SER 39 1HB SER 39 3.859 3.235 -11.204 245 HG SER 39 HG SER 39 2.388 4.497 -9.846 246 H ARG 40 H ARG 40 4.579 3.172 -13.208 247 HA ARG 40 HA ARG 40 4.992 0.652 -14.663 248 1HB ARG 40 2HB ARG 40 7.159 1.802 -15.357 249 2HB ARG 40 1HB ARG 40 5.675 2.589 -15.890 250 1HG ARG 40 2HG ARG 40 6.047 4.421 -14.606 251 2HG ARG 40 1HG ARG 40 6.583 3.456 -13.231 252 1HD ARG 40 2HD ARG 40 8.645 4.272 -13.729 253 2HD ARG 40 1HD ARG 40 8.632 3.061 -15.010 254 HE ARG 40 HE ARG 40 7.344 5.386 -16.009 255 1HH1 ARG 40 1HH1 ARG 40 10.348 3.836 -15.576 256 2HH1 ARG 40 2HH1 ARG 40 11.280 5.112 -16.288 257 1HH2 ARG 40 1HH2 ARG 40 8.573 7.247 -16.652 258 2HH2 ARG 40 2HH2 ARG 40 10.275 7.042 -16.897 259 H ALA 41 H ALA 41 6.634 -0.831 -14.109 260 HA ALA 41 HA ALA 41 7.215 -1.261 -11.405 261 1HB ALA 41 1HB ALA 41 9.173 -2.651 -12.303 262 2HB ALA 41 2HB ALA 41 8.681 -2.115 -13.909 263 3HB ALA 41 3HB ALA 41 7.577 -3.071 -12.922 264 H GLY 42 H GLY 42 9.869 -1.473 -10.900 265 1HA GLY 42 2HA GLY 42 11.634 -0.131 -10.103 266 2HA GLY 42 1HA GLY 42 11.568 0.622 -11.698 267 H LYS 43 H LYS 43 8.733 0.637 -9.685 268 HA LYS 43 HA LYS 43 8.886 3.577 -9.567 269 1HB LYS 43 2HB LYS 43 6.743 2.970 -10.232 270 2HB LYS 43 1HB LYS 43 6.722 1.541 -9.207 271 1HG LYS 43 2HG LYS 43 5.205 3.277 -8.321 272 2HG LYS 43 1HG LYS 43 6.532 2.979 -7.204 273 1HD LYS 43 2HD LYS 43 6.734 5.255 -7.254 274 2HD LYS 43 1HD LYS 43 7.631 4.932 -8.738 275 1HE LYS 43 2HE LYS 43 6.020 6.583 -9.331 276 2HE LYS 43 1HE LYS 43 5.374 5.063 -9.949 277 1HZ LYS 43 1HZ LYS 43 4.593 5.504 -7.250 278 2HZ LYS 43 2HZ LYS 43 3.626 5.223 -8.619 279 3HZ LYS 43 3HZ LYS 43 4.121 6.802 -8.233 280 H ILE 44 H ILE 44 9.426 4.674 -7.731 281 HA ILE 44 HA ILE 44 10.217 3.160 -5.366 282 HB ILE 44 HB ILE 44 11.579 5.038 -5.845 283 1HG1 ILE 44 2HG1 ILE 44 11.135 6.624 -3.928 284 2HG1 ILE 44 1HG1 ILE 44 9.629 5.757 -3.635 285 1HG2 ILE 44 1HG2 ILE 44 10.054 7.333 -5.741 286 2HG2 ILE 44 2HG2 ILE 44 9.002 6.208 -6.601 287 3HG2 ILE 44 3HG2 ILE 44 10.619 6.551 -7.217 288 1HD1 ILE 44 1HD1 ILE 44 12.231 5.071 -2.725 289 2HD1 ILE 44 2HD1 ILE 44 11.758 3.849 -3.907 290 3HD1 ILE 44 3HD1 ILE 44 10.736 4.162 -2.503 291 H CYS 45 H CYS 45 8.378 2.250 -4.509 292 HA CYS 45 HA CYS 45 5.989 3.853 -3.917 293 1HB CYS 45 2HB CYS 45 5.284 1.681 -2.754 294 2HB CYS 45 1HB CYS 45 5.533 1.599 -4.491 295 H ARG 46 H ARG 46 8.931 2.983 -2.329 296 HA ARG 46 HA ARG 46 8.222 4.620 -0.027 297 1HB ARG 46 2HB ARG 46 7.415 1.979 0.141 298 2HB ARG 46 1HB ARG 46 8.980 1.960 0.953 299 1HG ARG 46 2HG ARG 46 7.733 2.624 2.752 300 2HG ARG 46 1HG ARG 46 7.938 4.217 2.024 301 1HD ARG 46 2HD ARG 46 5.777 3.260 0.638 302 2HD ARG 46 1HD ARG 46 5.520 2.542 2.227 303 HE ARG 46 HE ARG 46 6.187 5.323 2.510 304 1HH1 ARG 46 1HH2 ARG 46 3.849 3.998 0.522 305 2HH1 ARG 46 2HH2 ARG 46 2.494 4.711 1.333 306 1HH2 ARG 46 1HH1 ARG 46 4.372 5.894 3.997 307 2HH2 ARG 46 2HH1 ARG 46 2.790 5.783 3.300 308 H ILE 47 H ILE 47 10.097 5.616 0.510 309 HA ILE 47 HA ILE 47 12.634 4.787 -0.566 310 HB ILE 47 HB ILE 47 12.215 7.134 -0.050 311 1HG1 ILE 47 2HG1 ILE 47 14.236 7.599 1.336 312 2HG1 ILE 47 1HG1 ILE 47 14.302 5.889 1.768 313 1HG2 ILE 47 1HG2 ILE 47 12.050 7.846 2.343 314 2HG2 ILE 47 2HG2 ILE 47 11.958 6.146 2.806 315 3HG2 ILE 47 3HG2 ILE 47 10.681 6.864 1.824 316 1HD1 ILE 47 1HD1 ILE 47 14.612 7.100 -0.990 317 2HD1 ILE 47 2HD1 ILE 47 14.402 5.370 -0.711 318 3HD1 ILE 47 3HD1 ILE 47 15.820 6.201 -0.071 319 H ALA 48 H ALA 48 14.490 4.009 0.659 320 HA ALA 48 HA ALA 48 13.774 1.953 2.554 321 1HB ALA 48 1HB ALA 48 15.709 1.132 1.761 322 2HB ALA 48 2HB ALA 48 16.568 2.380 2.664 323 3HB ALA 48 3HB ALA 48 16.084 2.675 0.993 324 H ARG 49 H ARG 49 15.899 2.070 4.383 325 HA ARG 49 HA ARG 49 15.459 4.579 5.897 326 1HB ARG 49 2HB ARG 49 15.336 1.844 7.109 327 2HB ARG 49 1HB ARG 49 15.004 3.368 7.922 328 1HG ARG 49 2HG ARG 49 13.418 2.636 5.483 329 2HG ARG 49 1HG ARG 49 13.012 1.885 7.025 330 1HD ARG 49 2HD ARG 49 13.399 4.857 6.902 331 2HD ARG 49 1HD ARG 49 11.876 4.162 6.348 332 HE ARG 49 HE ARG 49 11.933 3.012 8.718 333 1HH1 ARG 49 1HH1 ARG 49 10.546 5.593 8.735 334 2HH1 ARG 49 2HH1 ARG 49 11.419 6.509 9.917 335 1HH2 ARG 49 1HH2 ARG 49 14.186 4.418 9.881 336 2HH2 ARG 49 2HH2 ARG 49 13.480 5.843 10.566 337 H GLY 50 H GLY 50 17.152 1.494 6.042 338 1HA GLY 50 2HA GLY 50 19.420 2.593 7.454 339 2HA GLY 50 1HA GLY 50 19.326 0.973 6.771 340 H ASP 51 H ASP 51 18.466 3.050 4.346 341 HA ASP 51 HA ASP 51 19.644 4.123 2.604 342 1HB ASP 51 2HB ASP 51 21.467 4.292 4.701 343 2HB ASP 51 1HB ASP 51 22.352 3.481 3.412 344 H TRP 52 H TRP 52 19.277 2.794 0.918 345 HA TRP 52 HA TRP 52 21.234 1.137 -0.189 346 1HB TRP 52 2HB TRP 52 19.808 -1.101 0.279 347 2HB TRP 52 1HB TRP 52 21.164 -0.617 1.286 348 HD1 TRP 52 HD1 TRP 52 17.649 0.950 1.359 349 HE1 TRP 52 HE1 TRP 52 16.660 0.596 3.707 350 HE3 TRP 52 HE3 TRP 52 21.310 -1.915 3.431 351 HZ2 TRP 52 HZ2 TRP 52 17.338 -0.718 6.157 352 HZ3 TRP 52 HZ3 TRP 52 21.124 -2.708 5.772 353 HH2 TRP 52 HH2 TRP 52 19.141 -2.112 7.139 354 H ASN 53 H ASN 53 19.624 -0.814 -1.485 355 HA ASN 53 HA ASN 53 18.409 0.740 -3.514 356 1HB ASN 53 2HB ASN 53 18.558 -2.110 -2.806 357 2HB ASN 53 1HB ASN 53 17.084 -1.675 -3.672 358 1HD2 ASN 53 1HD2 ASN 53 17.420 -0.434 -5.777 359 2HD2 ASN 53 2HD2 ASN 53 18.826 -0.747 -6.677 360 H ASP 54 H ASP 54 16.611 1.962 -3.366 361 HA ASP 54 HA ASP 54 14.778 1.893 -1.177 362 1HB ASP 54 2HB ASP 54 13.304 3.232 -2.828 363 2HB ASP 54 1HB ASP 54 14.867 3.922 -2.387 364 H ASP 55 H ASP 55 12.265 1.718 -1.850 365 HA ASP 55 HA ASP 55 11.936 -1.090 -2.696 366 1HB ASP 55 2HB ASP 55 10.622 0.630 -0.866 367 2HB ASP 55 1HB ASP 55 9.452 0.205 -2.111 368 H ARG 56 H ARG 56 11.545 -1.517 -4.800 369 HA ARG 56 HA ARG 56 10.306 0.598 -6.490 370 1HB ARG 56 2HB ARG 56 11.764 -1.894 -7.321 371 2HB ARG 56 1HB ARG 56 11.248 -0.590 -8.378 372 1HG ARG 56 2HG ARG 56 12.942 0.166 -6.052 373 2HG ARG 56 1HG ARG 56 13.738 -0.716 -7.356 374 1HD ARG 56 2HD ARG 56 12.109 1.210 -8.619 375 2HD ARG 56 1HD ARG 56 12.901 2.050 -7.286 376 HE ARG 56 HE ARG 56 14.813 0.446 -8.714 377 1HH1 ARG 56 1HH1 ARG 56 14.242 3.544 -7.864 378 2HH1 ARG 56 2HH1 ARG 56 14.757 4.279 -9.346 379 1HH2 ARG 56 1HH2 ARG 56 14.908 1.284 -11.088 380 2HH2 ARG 56 2HH2 ARG 56 15.134 2.999 -11.171 381 H CYS 57 H CYS 57 8.510 0.029 -7.854 382 HA CYS 57 HA CYS 57 7.038 -2.383 -6.894 383 1HB CYS 57 2HB CYS 57 6.151 0.219 -8.123 384 2HB CYS 57 1HB CYS 57 5.106 -1.197 -8.164 385 H THR 58 H THR 58 5.587 -3.310 -8.734 386 HA THR 58 HA THR 58 7.371 -3.903 -11.009 387 HB THR 58 HB THR 58 5.943 -5.749 -11.450 388 HG1 THR 58 HG1 THR 58 3.860 -5.851 -10.650 389 1HG2 THR 58 1HG2 THR 58 6.211 -5.147 -8.512 390 2HG2 THR 58 2HG2 THR 58 7.113 -6.305 -9.489 391 3HG2 THR 58 3HG2 THR 58 5.436 -6.635 -9.057 392 H GLY 59 H GLY 59 5.744 -4.294 -13.118 393 1HA GLY 59 2HA GLY 59 4.778 -1.546 -13.674 394 2HA GLY 59 1HA GLY 59 5.123 -2.778 -14.887 395 H GLN 60 H GLN 60 3.417 -4.154 -12.340 396 HA GLN 60 HA GLN 60 0.756 -3.484 -13.477 397 1HB GLN 60 2HB GLN 60 1.947 -6.265 -13.330 398 2HB GLN 60 1HB GLN 60 0.219 -5.967 -13.518 399 1HG GLN 60 2HG GLN 60 1.974 -4.478 -15.384 400 2HG GLN 60 1HG GLN 60 1.927 -6.224 -15.616 401 1HE2 GLN 60 1HE2 GLN 60 0.625 -3.819 -17.130 402 2HE2 GLN 60 2HE2 GLN 60 -0.995 -4.300 -17.293 403 H SER 61 H SER 61 2.392 -3.262 -10.846 404 HA SER 61 HA SER 61 0.457 -4.685 -9.071 405 1HB SER 61 2HB SER 61 2.993 -4.998 -8.801 406 2HB SER 61 1HB SER 61 3.022 -3.341 -8.205 407 HG SER 61 HG SER 61 2.659 -4.455 -6.402 408 H ALA 62 H ALA 62 -0.589 -3.495 -7.384 409 HA ALA 62 HA ALA 62 -0.673 -0.549 -7.889 410 1HB ALA 62 1HB ALA 62 -2.737 -2.500 -6.866 411 2HB ALA 62 2HB ALA 62 -2.851 -1.408 -8.245 412 3HB ALA 62 3HB ALA 62 -2.905 -0.765 -6.604 413 H ASP 63 H ASP 63 -0.115 -3.027 -5.488 414 HA ASP 63 HA ASP 63 0.166 -0.923 -3.392 415 1HB ASP 63 2HB ASP 63 0.267 -3.867 -2.877 416 2HB ASP 63 1HB ASP 63 -0.167 -2.575 -1.767 417 H CYS 64 H CYS 64 2.037 -1.525 -1.789 418 HA CYS 64 HA CYS 64 4.396 -2.388 -3.410 419 1HB CYS 64 2HB CYS 64 4.502 0.015 -3.119 420 2HB CYS 64 1HB CYS 64 4.197 -0.137 -1.391 421 HA PRO 65 HA PRO 65 4.876 -5.234 -0.088 422 1HB PRO 65 2HB PRO 65 7.110 -6.402 -1.149 423 2HB PRO 65 1HB PRO 65 5.476 -6.773 -1.698 424 1HG PRO 65 2HG PRO 65 7.613 -5.196 -3.031 425 2HG PRO 65 1HG PRO 65 6.226 -6.036 -3.747 426 1HD PRO 65 2HD PRO 65 6.445 -3.245 -3.277 427 2HD PRO 65 1HD PRO 65 4.977 -4.128 -3.747 428 H ARG 66 H ARG 66 5.846 -4.717 1.852 429 HA ARG 66 HA ARG 66 7.926 -2.758 2.060 430 1HB ARG 66 2HB ARG 66 6.491 -4.574 3.932 431 2HB ARG 66 1HB ARG 66 8.044 -3.936 4.471 432 1HG ARG 66 2HG ARG 66 7.197 -1.631 3.802 433 2HG ARG 66 1HG ARG 66 5.604 -2.366 3.608 434 1HD ARG 66 2HD ARG 66 5.766 -1.424 5.848 435 2HD ARG 66 1HD ARG 66 5.745 -3.183 5.968 436 HE ARG 66 HE ARG 66 8.446 -2.535 5.862 437 1HH1 ARG 66 1HH1 ARG 66 6.667 -3.554 8.237 438 2HH1 ARG 66 2HH1 ARG 66 7.168 -2.444 9.468 439 1HH2 ARG 66 1HH2 ARG 66 8.700 -0.264 7.249 440 2HH2 ARG 66 2HH2 ARG 66 8.318 -0.581 8.909 441 H TYR 67 H TYR 67 9.697 -3.508 0.771 442 HA TYR 67 HA TYR 67 10.881 -6.091 1.011 443 1HB TYR 67 2HB TYR 67 11.367 -3.750 -0.472 444 2HB TYR 67 1HB TYR 67 12.847 -4.067 0.430 445 HD1 TYR 67 HD1 TYR 67 12.648 -7.064 0.646 446 HD2 TYR 67 HD2 TYR 67 12.004 -4.413 -2.672 447 HE1 TYR 67 HE1 TYR 67 13.225 -8.893 -0.926 448 HE2 TYR 67 HE2 TYR 67 12.580 -6.243 -4.244 449 HH TYR 67 HH TYR 67 12.494 -8.876 -4.113 450 H HIS 68 HN HIS 68 11.010 -3.293 3.043 451 HA HIS 68 HA HIS 68 12.723 -4.771 4.938 452 1HB HIS 68 2HB HIS 68 14.357 -3.526 3.594 453 2HB HIS 68 1HB HIS 68 13.467 -2.028 3.870 454 HD1 HIS 68 HD1 HIS 68 14.201 -0.700 5.854 455 HD2 HIS 68 HD2 HIS 68 15.278 -4.712 6.208 456 HE1 HIS 68 HE1 HIS 68 15.558 -0.893 7.985 Start of MODEL 9 1 1H GLY 1 1HT GLY 1 -13.171 -14.980 -2.036 2 2H GLY 1 2HT GLY 1 -12.930 -16.097 -3.294 3 3H GLY 1 3HT GLY 1 -14.491 -15.829 -2.679 4 1HA GLY 1 1HA GLY 1 -12.971 -14.302 -4.613 5 2HA GLY 1 2HA GLY 1 -14.716 -14.470 -4.429 6 H LYS 2 H LYS 2 -12.045 -12.437 -3.863 7 HA LYS 2 HA LYS 2 -13.000 -10.952 -1.600 8 1HB LYS 2 2HB LYS 2 -10.672 -10.796 -2.442 9 2HB LYS 2 1HB LYS 2 -11.267 -10.007 -3.904 10 1HG LYS 2 2HG LYS 2 -12.310 -8.248 -2.410 11 2HG LYS 2 1HG LYS 2 -11.428 -8.972 -1.065 12 1HD LYS 2 2HD LYS 2 -9.478 -8.702 -3.015 13 2HD LYS 2 1HD LYS 2 -10.446 -7.240 -3.212 14 1HE LYS 2 2HE LYS 2 -10.289 -6.968 -0.672 15 2HE LYS 2 1HE LYS 2 -9.044 -8.217 -0.717 16 1HZ LYS 2 1HZ LYS 2 -7.640 -6.889 -1.964 17 2HZ LYS 2 2HZ LYS 2 -8.336 -5.775 -0.886 18 3HZ LYS 2 3HZ LYS 2 -8.885 -5.866 -2.490 19 H GLU 3 H GLU 3 -14.857 -9.792 -1.538 20 HA GLU 3 HA GLU 3 -15.915 -8.693 -4.100 21 1HB GLU 3 2HB GLU 3 -17.673 -8.543 -1.771 22 2HB GLU 3 1HB GLU 3 -18.004 -9.170 -3.380 23 1HG GLU 3 2HG GLU 3 -16.728 -11.242 -2.778 24 2HG GLU 3 1HG GLU 3 -16.574 -10.622 -1.134 25 H CYS 4 H CYS 4 -13.913 -7.162 -3.286 26 HA CYS 4 HA CYS 4 -15.071 -4.602 -2.795 27 1HB CYS 4 2HB CYS 4 -14.150 -6.119 -0.422 28 2HB CYS 4 1HB CYS 4 -13.638 -4.448 -0.514 29 H ASP 5 H ASP 5 -13.490 -4.992 -4.749 30 HA ASP 5 HA ASP 5 -10.759 -5.221 -4.681 31 1HB ASP 5 2HB ASP 5 -12.034 -4.690 -6.730 32 2HB ASP 5 1HB ASP 5 -12.264 -3.042 -6.156 33 H CYS 6 H CYS 6 -12.624 -2.423 -3.585 34 HA CYS 6 HA CYS 6 -10.179 -1.470 -2.149 35 1HB CYS 6 2HB CYS 6 -12.170 0.395 -3.461 36 2HB CYS 6 1HB CYS 6 -10.623 0.817 -2.729 37 H SER 7 H SER 7 -10.870 0.144 -0.363 38 HA SER 7 HA SER 7 -13.495 -0.745 0.766 39 1HB SER 7 2HB SER 7 -12.520 -1.103 2.796 40 2HB SER 7 1HB SER 7 -11.037 -1.228 1.856 41 HG SER 7 HG SER 7 -10.880 0.280 3.590 42 H SER 8 H SER 8 -12.866 1.636 -0.947 43 HA SER 8 HA SER 8 -13.773 3.717 0.992 44 1HB SER 8 2HB SER 8 -11.429 3.717 -0.641 45 2HB SER 8 1HB SER 8 -12.512 4.982 -1.211 46 HG SER 8 HG SER 8 -11.567 4.560 1.435 47 HA PRO 9 HA PRO 9 -17.085 3.749 -2.020 48 1HB PRO 9 2HB PRO 9 -18.739 5.361 -0.536 49 2HB PRO 9 1HB PRO 9 -18.548 3.624 -0.244 50 1HG PRO 9 2HG PRO 9 -17.486 5.917 1.333 51 2HG PRO 9 1HG PRO 9 -17.845 4.264 1.859 52 1HD PRO 9 2HD PRO 9 -15.272 5.319 1.274 53 2HD PRO 9 1HD PRO 9 -15.675 3.609 1.533 54 H GLU 10 H GLU 10 -14.801 5.962 -1.642 55 HA GLU 10 HA GLU 10 -16.241 7.990 -3.289 56 1HB GLU 10 2HB GLU 10 -14.467 8.439 -0.886 57 2HB GLU 10 1HB GLU 10 -14.711 9.696 -2.099 58 1HG GLU 10 2HG GLU 10 -17.158 8.352 -1.076 59 2HG GLU 10 1HG GLU 10 -16.320 9.422 0.048 60 H ASN 11 H ASN 11 -14.772 5.983 -4.452 61 HA ASN 11 HA ASN 11 -12.495 7.500 -5.527 62 1HB ASN 11 2HB ASN 11 -11.039 6.256 -4.323 63 2HB ASN 11 1HB ASN 11 -12.302 5.142 -3.821 64 1HD2 ASN 11 1HD2 ASN 11 -11.006 3.241 -4.160 65 2HD2 ASN 11 2HD2 ASN 11 -10.555 2.718 -5.709 66 HA PRO 12 HA PRO 12 -14.339 5.986 -9.231 67 1HB PRO 12 2HB PRO 12 -12.349 6.792 -10.951 68 2HB PRO 12 1HB PRO 12 -13.544 7.891 -10.240 69 1HG PRO 12 2HG PRO 12 -10.665 7.546 -9.544 70 2HG PRO 12 1HG PRO 12 -11.702 8.969 -9.357 71 1HD PRO 12 2HD PRO 12 -10.954 7.189 -7.291 72 2HD PRO 12 1HD PRO 12 -12.249 8.402 -7.205 73 H CYS 13 H CYS 13 -10.858 5.281 -8.798 74 HA CYS 13 HA CYS 13 -10.540 3.184 -10.639 75 1HB CYS 13 2HB CYS 13 -9.420 3.238 -7.827 76 2HB CYS 13 1HB CYS 13 -8.737 2.395 -9.214 77 H CYS 14 H CYS 14 -12.436 3.261 -7.732 78 HA CYS 14 HA CYS 14 -13.019 0.371 -8.220 79 1HB CYS 14 2HB CYS 14 -12.158 1.761 -5.817 80 2HB CYS 14 1HB CYS 14 -13.661 0.887 -5.566 81 H ASP 15 H ASP 15 -15.132 -0.025 -6.661 82 HA ASP 15 HA ASP 15 -17.155 2.052 -7.297 83 1HB ASP 15 2HB ASP 15 -16.850 -0.079 -8.937 84 2HB ASP 15 1HB ASP 15 -17.955 -0.747 -7.745 85 H ALA 16 H ALA 16 -18.635 2.271 -5.646 86 HA ALA 16 HA ALA 16 -18.247 0.615 -3.267 87 1HB ALA 16 1HB ALA 16 -19.144 2.362 -2.112 88 2HB ALA 16 2HB ALA 16 -20.437 2.597 -3.288 89 3HB ALA 16 3HB ALA 16 -18.831 3.256 -3.600 90 H ALA 17 H ALA 17 -20.706 1.120 -5.750 91 HA ALA 17 HA ALA 17 -22.794 -0.356 -4.429 92 1HB ALA 17 1HB ALA 17 -22.946 -0.576 -7.308 93 2HB ALA 17 2HB ALA 17 -22.504 1.067 -6.848 94 3HB ALA 17 3HB ALA 17 -23.979 0.341 -6.212 95 H THR 18 H THR 18 -19.928 -1.339 -6.105 96 HA THR 18 HA THR 18 -20.886 -4.169 -5.940 97 HB THR 18 HB THR 18 -19.927 -4.697 -8.026 98 HG1 THR 18 HG1 THR 18 -18.561 -3.131 -9.083 99 1HG2 THR 18 1HG2 THR 18 -21.206 -3.437 -9.464 100 2HG2 THR 18 2HG2 THR 18 -20.685 -1.909 -8.752 101 3HG2 THR 18 3HG2 THR 18 -21.902 -2.891 -7.938 102 H CYS 19 H CYS 19 -18.735 -1.951 -4.766 103 HA CYS 19 HA CYS 19 -16.581 -2.105 -3.812 104 1HB CYS 19 2HB CYS 19 -18.311 -3.963 -2.643 105 2HB CYS 19 1HB CYS 19 -16.845 -4.855 -2.964 106 H LYS 20 H LYS 20 -15.892 -2.282 -6.238 107 HA LYS 20 HA LYS 20 -13.871 -4.357 -6.383 108 1HB LYS 20 2HB LYS 20 -16.460 -4.755 -7.683 109 2HB LYS 20 1HB LYS 20 -15.088 -4.899 -8.785 110 1HG LYS 20 2HG LYS 20 -14.592 -6.216 -6.231 111 2HG LYS 20 1HG LYS 20 -16.004 -6.876 -7.056 112 1HD LYS 20 2HD LYS 20 -13.652 -6.374 -8.783 113 2HD LYS 20 1HD LYS 20 -13.451 -7.657 -7.588 114 1HE LYS 20 2HE LYS 20 -14.361 -8.584 -9.671 115 2HE LYS 20 1HE LYS 20 -15.556 -8.704 -8.380 116 1HZ LYS 20 1HZ LYS 20 -16.187 -7.734 -10.710 117 2HZ LYS 20 2HZ LYS 20 -15.545 -6.302 -10.059 118 3HZ LYS 20 3HZ LYS 20 -16.845 -7.080 -9.290 119 H LEU 21 H LEU 21 -13.350 -4.317 -9.096 120 HA LEU 21 HA LEU 21 -12.372 -1.557 -9.385 121 1HB LEU 21 2HB LEU 21 -11.673 -4.192 -10.433 122 2HB LEU 21 1HB LEU 21 -11.697 -2.955 -11.686 123 HG LEU 21 HG LEU 21 -10.066 -2.944 -9.140 124 1HD1 LEU 21 1HD1 LEU 21 -8.713 -2.274 -11.588 125 2HD1 LEU 21 2HD1 LEU 21 -9.560 -3.810 -11.765 126 3HD1 LEU 21 3HD1 LEU 21 -8.384 -3.597 -10.469 127 1HD2 LEU 21 1HD2 LEU 21 -10.434 -0.741 -9.131 128 2HD2 LEU 21 2HD2 LEU 21 -11.068 -0.740 -10.774 129 3HD2 LEU 21 3HD2 LEU 21 -9.326 -0.718 -10.500 130 H ARG 22 H ARG 22 -12.954 -0.170 -11.037 131 HA ARG 22 HA ARG 22 -15.504 -0.734 -12.360 132 1HB ARG 22 2HB ARG 22 -15.070 1.565 -11.660 133 2HB ARG 22 1HB ARG 22 -13.563 1.595 -12.579 134 1HG ARG 22 2HG ARG 22 -14.635 1.847 -14.590 135 2HG ARG 22 1HG ARG 22 -16.017 0.870 -14.093 136 1HD ARG 22 2HD ARG 22 -16.059 3.130 -12.415 137 2HD ARG 22 1HD ARG 22 -15.708 3.749 -14.030 138 HE ARG 22 HE ARG 22 -17.834 2.884 -14.782 139 1HH1 ARG 22 1HH1 ARG 22 -17.900 0.420 -13.046 140 2HH1 ARG 22 2HH1 ARG 22 -19.172 0.805 -11.935 141 1HH2 ARG 22 1HH2 ARG 22 -19.147 4.193 -12.669 142 2HH2 ARG 22 2HH2 ARG 22 -19.877 2.942 -11.720 143 HA PRO 23 HA PRO 23 -13.426 -2.832 -15.681 144 1HB PRO 23 2HB PRO 23 -15.571 -2.760 -17.434 145 2HB PRO 23 1HB PRO 23 -15.374 -3.952 -16.136 146 1HG PRO 23 2HG PRO 23 -17.086 -1.475 -16.179 147 2HG PRO 23 1HG PRO 23 -17.421 -3.056 -15.445 148 1HD PRO 23 2HD PRO 23 -16.583 -0.907 -13.945 149 2HD PRO 23 1HD PRO 23 -16.188 -2.581 -13.523 150 H GLY 24 H GLY 24 -11.989 -1.028 -15.961 151 1HA GLY 24 2HA GLY 24 -11.969 0.121 -18.550 152 2HA GLY 24 1HA GLY 24 -12.556 1.346 -17.420 153 H ALA 25 H ALA 25 -11.017 0.329 -15.174 154 HA ALA 25 HA ALA 25 -8.381 1.433 -15.902 155 1HB ALA 25 1HB ALA 25 -9.653 0.886 -13.209 156 2HB ALA 25 2HB ALA 25 -9.535 2.458 -13.999 157 3HB ALA 25 3HB ALA 25 -8.076 1.637 -13.447 158 H GLN 26 H GLN 26 -6.903 0.248 -13.788 159 HA GLN 26 HA GLN 26 -7.023 -2.656 -14.447 160 1HB GLN 26 2HB GLN 26 -5.020 -0.816 -15.276 161 2HB GLN 26 1HB GLN 26 -4.299 -1.863 -14.055 162 1HG GLN 26 2HG GLN 26 -4.363 -3.677 -15.415 163 2HG GLN 26 1HG GLN 26 -5.990 -3.297 -15.979 164 1HE2 GLN 26 1HE2 GLN 26 -5.723 -3.326 -18.252 165 2HE2 GLN 26 2HE2 GLN 26 -4.595 -2.368 -19.083 166 H CYS 27 H CYS 27 -7.118 -0.394 -12.052 167 HA CYS 27 HA CYS 27 -6.820 -2.353 -9.980 168 1HB CYS 27 2HB CYS 27 -4.868 -1.274 -8.828 169 2HB CYS 27 1HB CYS 27 -4.441 -2.080 -10.337 170 H GLY 28 H GLY 28 -8.067 -1.695 -8.321 171 1HA GLY 28 2HA GLY 28 -9.362 0.890 -8.454 172 2HA GLY 28 1HA GLY 28 -9.612 -0.325 -7.215 173 H GLU 29 H GLU 29 -6.615 -0.385 -6.702 174 HA GLU 29 HA GLU 29 -5.731 2.200 -5.893 175 1HB GLU 29 2HB GLU 29 -7.726 2.099 -4.427 176 2HB GLU 29 1HB GLU 29 -7.110 0.611 -3.709 177 1HG GLU 29 2HG GLU 29 -5.849 1.801 -2.291 178 2HG GLU 29 1HG GLU 29 -5.035 2.578 -3.650 179 H GLY 30 H GLY 30 -3.656 2.074 -4.925 180 1HA GLY 30 2HA GLY 30 -2.601 -0.251 -3.660 181 2HA GLY 30 1HA GLY 30 -2.158 -0.288 -5.365 182 H LEU 31 H LEU 31 -0.107 -0.122 -3.594 183 HA LEU 31 HA LEU 31 0.648 2.602 -2.941 184 1HB LEU 31 2HB LEU 31 1.621 -0.024 -2.434 185 2HB LEU 31 1HB LEU 31 2.930 0.924 -3.122 186 HG LEU 31 HG LEU 31 2.687 1.019 -0.585 187 1HD1 LEU 31 1HD1 LEU 31 3.753 2.765 -2.244 188 2HD1 LEU 31 2HD1 LEU 31 3.514 3.201 -0.551 189 3HD1 LEU 31 3HD1 LEU 31 2.373 3.759 -1.775 190 1HD2 LEU 31 1HD2 LEU 31 0.086 1.310 -0.942 191 2HD2 LEU 31 2HD2 LEU 31 0.503 3.018 -1.091 192 3HD2 LEU 31 3HD2 LEU 31 0.889 2.142 0.390 193 H CYS 32 H CYS 32 0.558 0.904 -5.839 194 HA CYS 32 HA CYS 32 2.312 2.929 -7.105 195 1HB CYS 32 2HB CYS 32 2.611 -0.023 -7.707 196 2HB CYS 32 1HB CYS 32 3.630 1.299 -8.277 197 H CYS 33 H CYS 33 -0.200 3.331 -7.489 198 HA CYS 33 HA CYS 33 -0.740 2.255 -10.198 199 1HB CYS 33 2HB CYS 33 -2.232 1.566 -7.811 200 2HB CYS 33 1HB CYS 33 -3.267 2.402 -8.971 201 H GLU 34 H GLU 34 -0.862 4.053 -11.423 202 HA GLU 34 HA GLU 34 -1.286 6.684 -10.447 203 1HB GLU 34 2HB GLU 34 -0.470 5.675 -12.805 204 2HB GLU 34 1HB GLU 34 -2.132 6.079 -13.216 205 1HG GLU 34 2HG GLU 34 -1.145 8.117 -13.666 206 2HG GLU 34 1HG GLU 34 -1.505 8.347 -11.954 207 H GLN 35 H GLN 35 -3.325 7.822 -11.993 208 HA GLN 35 HA GLN 35 -5.612 7.376 -10.385 209 1HB GLN 35 2HB GLN 35 -5.378 8.529 -13.179 210 2HB GLN 35 1HB GLN 35 -6.852 8.589 -12.212 211 1HG GLN 35 2HG GLN 35 -5.942 10.072 -10.664 212 2HG GLN 35 1HG GLN 35 -4.283 9.582 -11.019 213 1HE2 GLN 35 1HE2 GLN 35 -3.177 11.190 -12.129 214 2HE2 GLN 35 2HE2 GLN 35 -3.865 12.247 -13.265 215 H CYS 36 H CYS 36 -5.995 5.098 -10.316 216 HA CYS 36 HA CYS 36 -7.022 3.110 -11.012 217 1HB CYS 36 2HB CYS 36 -8.195 4.736 -13.274 218 2HB CYS 36 1HB CYS 36 -8.888 3.324 -12.473 219 H LYS 37 H LYS 37 -4.423 3.248 -11.832 220 HA LYS 37 HA LYS 37 -4.495 1.683 -14.306 221 1HB LYS 37 2HB LYS 37 -3.708 4.523 -14.306 222 2HB LYS 37 1HB LYS 37 -2.509 3.449 -15.026 223 1HG LYS 37 2HG LYS 37 -5.421 3.209 -15.759 224 2HG LYS 37 1HG LYS 37 -4.385 4.390 -16.559 225 1HD LYS 37 2HD LYS 37 -2.840 2.613 -17.243 226 2HD LYS 37 1HD LYS 37 -3.820 1.415 -16.394 227 1HE LYS 37 2HE LYS 37 -5.681 1.769 -17.877 228 2HE LYS 37 1HE LYS 37 -4.902 3.170 -18.612 229 1HZ LYS 37 1HZ LYS 37 -3.136 1.022 -18.800 230 2HZ LYS 37 2HZ LYS 37 -3.951 1.819 -20.060 231 3HZ LYS 37 3HZ LYS 37 -4.652 0.463 -19.315 232 H PHE 38 H PHE 38 -2.820 0.214 -14.288 233 HA PHE 38 HA PHE 38 -1.185 -0.108 -11.971 234 1HB PHE 38 2HB PHE 38 -1.163 -1.264 -14.740 235 2HB PHE 38 1HB PHE 38 0.215 -1.553 -13.684 236 HD1 PHE 38 HD1 PHE 38 -2.565 -3.118 -14.792 237 HD2 PHE 38 HD2 PHE 38 -0.816 -1.924 -11.055 238 HE1 PHE 38 HE1 PHE 38 -3.816 -4.918 -13.632 239 HE2 PHE 38 HE2 PHE 38 -2.069 -3.723 -9.894 240 HZ PHE 38 HZ PHE 38 -3.568 -5.219 -11.184 241 H SER 39 H SER 39 0.395 1.367 -11.385 242 HA SER 39 HA SER 39 1.632 3.212 -13.139 243 1HB SER 39 2HB SER 39 2.219 2.184 -10.437 244 2HB SER 39 1HB SER 39 3.595 2.847 -11.299 245 HG SER 39 HG SER 39 2.533 4.489 -10.187 246 H ARG 40 H ARG 40 4.226 3.043 -13.435 247 HA ARG 40 HA ARG 40 4.630 0.470 -14.826 248 1HB ARG 40 2HB ARG 40 6.312 1.572 -16.130 249 2HB ARG 40 1HB ARG 40 4.952 2.691 -16.031 250 1HG ARG 40 2HG ARG 40 6.035 3.958 -14.278 251 2HG ARG 40 1HG ARG 40 7.328 2.765 -14.151 252 1HD ARG 40 2HD ARG 40 8.170 3.315 -16.327 253 2HD ARG 40 1HD ARG 40 6.747 4.288 -16.701 254 HE ARG 40 HE ARG 40 7.561 5.974 -15.118 255 1HH1 ARG 40 1HH2 ARG 40 9.254 3.846 -13.605 256 2HH1 ARG 40 2HH2 ARG 40 10.849 4.404 -13.985 257 1HH2 ARG 40 1HH1 ARG 40 9.795 6.479 -16.557 258 2HH2 ARG 40 2HH1 ARG 40 11.155 5.894 -15.657 259 H ALA 41 H ALA 41 6.720 -0.647 -14.532 260 HA ALA 41 HA ALA 41 7.464 -1.002 -11.842 261 1HB ALA 41 1HB ALA 41 8.068 -2.476 -13.849 262 2HB ALA 41 2HB ALA 41 9.333 -2.259 -12.639 263 3HB ALA 41 3HB ALA 41 9.391 -1.348 -14.148 264 H GLY 42 H GLY 42 10.025 -0.590 -11.270 265 1HA GLY 42 2HA GLY 42 11.531 1.091 -10.617 266 2HA GLY 42 1HA GLY 42 11.145 1.886 -12.138 267 H LYS 43 H LYS 43 8.645 1.039 -9.841 268 HA LYS 43 HA LYS 43 8.100 3.933 -9.495 269 1HB LYS 43 2HB LYS 43 6.225 2.654 -10.342 270 2HB LYS 43 1HB LYS 43 6.393 1.483 -9.039 271 1HG LYS 43 2HG LYS 43 4.700 2.809 -8.175 272 2HG LYS 43 1HG LYS 43 6.103 3.628 -7.513 273 1HD LYS 43 2HD LYS 43 6.084 5.100 -9.591 274 2HD LYS 43 1HD LYS 43 4.503 4.408 -9.956 275 1HE LYS 43 2HE LYS 43 3.757 6.169 -8.700 276 2HE LYS 43 1HE LYS 43 4.124 5.085 -7.359 277 1HZ LYS 43 1HZ LYS 43 5.917 6.278 -6.769 278 2HZ LYS 43 2HZ LYS 43 5.134 7.536 -7.599 279 3HZ LYS 43 3HZ LYS 43 6.356 6.639 -8.367 280 H ILE 44 H ILE 44 8.497 4.887 -7.536 281 HA ILE 44 HA ILE 44 9.550 3.226 -5.392 282 HB ILE 44 HB ILE 44 9.493 6.064 -6.057 283 1HG1 ILE 44 2HG1 ILE 44 11.485 4.569 -6.027 284 2HG1 ILE 44 1HG1 ILE 44 11.678 5.972 -4.975 285 1HG2 ILE 44 1HG2 ILE 44 9.906 6.604 -3.531 286 2HG2 ILE 44 2HG2 ILE 44 8.935 5.161 -3.243 287 3HG2 ILE 44 3HG2 ILE 44 8.247 6.527 -4.122 288 1HD1 ILE 44 1HD1 ILE 44 10.426 3.623 -3.692 289 2HD1 ILE 44 2HD1 ILE 44 11.667 4.715 -3.075 290 3HD1 ILE 44 3HD1 ILE 44 12.110 3.401 -4.165 291 H CYS 45 H CYS 45 8.136 2.061 -4.219 292 HA CYS 45 HA CYS 45 5.419 3.080 -3.667 293 1HB CYS 45 2HB CYS 45 5.047 0.896 -2.643 294 2HB CYS 45 1HB CYS 45 5.821 0.675 -4.209 295 H ARG 46 H ARG 46 8.516 3.081 -2.229 296 HA ARG 46 HA ARG 46 7.651 4.621 0.041 297 1HB ARG 46 2HB ARG 46 7.401 1.802 0.327 298 2HB ARG 46 1HB ARG 46 8.783 2.299 1.302 299 1HG ARG 46 2HG ARG 46 7.461 3.882 2.526 300 2HG ARG 46 1HG ARG 46 6.106 3.706 1.409 301 1HD ARG 46 2HD ARG 46 5.309 1.963 2.587 302 2HD ARG 46 1HD ARG 46 6.846 1.116 2.428 303 HE ARG 46 HE ARG 46 7.582 2.225 4.507 304 1HH1 ARG 46 1HH1 ARG 46 5.756 4.562 4.540 305 2HH1 ARG 46 2HH1 ARG 46 4.566 4.097 5.711 306 1HH2 ARG 46 1HH2 ARG 46 5.410 0.735 5.624 307 2HH2 ARG 46 2HH2 ARG 46 4.371 1.931 6.324 308 H ILE 47 H ILE 47 9.409 5.969 0.021 309 HA ILE 47 HA ILE 47 12.026 5.160 -0.851 310 HB ILE 47 HB ILE 47 11.402 7.488 -0.980 311 1HG1 ILE 47 2HG1 ILE 47 13.808 6.711 -0.255 312 2HG1 ILE 47 1HG1 ILE 47 13.403 8.423 -0.212 313 1HG2 ILE 47 1HG2 ILE 47 10.787 7.094 1.929 314 2HG2 ILE 47 2HG2 ILE 47 9.835 7.902 0.684 315 3HG2 ILE 47 3HG2 ILE 47 11.254 8.698 1.365 316 1HD1 ILE 47 1HD1 ILE 47 13.628 8.523 2.036 317 2HD1 ILE 47 2HD1 ILE 47 14.421 6.953 1.908 318 3HD1 ILE 47 3HD1 ILE 47 12.700 7.043 2.275 319 H ALA 48 H ALA 48 13.962 4.976 0.495 320 HA ALA 48 HA ALA 48 13.729 3.212 2.668 321 1HB ALA 48 1HB ALA 48 15.896 5.073 1.746 322 2HB ALA 48 2HB ALA 48 15.889 3.311 1.806 323 3HB ALA 48 3HB ALA 48 16.076 4.244 3.291 324 H ARG 49 H ARG 49 12.614 3.636 4.524 325 HA ARG 49 HA ARG 49 12.071 6.222 5.552 326 1HB ARG 49 2HB ARG 49 12.245 3.693 7.152 327 2HB ARG 49 1HB ARG 49 11.307 5.125 7.549 328 1HG ARG 49 2HG ARG 49 9.624 4.557 6.134 329 2HG ARG 49 1HG ARG 49 10.740 4.014 4.882 330 1HD ARG 49 2HD ARG 49 9.773 1.993 5.499 331 2HD ARG 49 1HD ARG 49 11.174 2.026 6.571 332 HE ARG 49 HE ARG 49 8.769 3.241 7.720 333 1HH1 ARG 49 1HH1 ARG 49 10.370 0.277 7.008 334 2HH1 ARG 49 2HH1 ARG 49 9.850 -0.509 8.461 335 1HH2 ARG 49 1HH2 ARG 49 8.192 2.277 9.692 336 2HH2 ARG 49 2HH2 ARG 49 8.616 0.623 9.981 337 H GLY 50 H GLY 50 14.060 3.896 7.284 338 1HA GLY 50 2HA GLY 50 15.568 5.985 8.584 339 2HA GLY 50 1HA GLY 50 15.915 4.260 8.683 340 H ASP 51 H ASP 51 16.480 3.480 6.198 341 HA ASP 51 HA ASP 51 17.831 5.026 4.361 342 1HB ASP 51 2HB ASP 51 19.222 5.054 6.876 343 2HB ASP 51 1HB ASP 51 20.210 4.266 5.648 344 H TRP 52 H TRP 52 17.736 3.451 2.823 345 HA TRP 52 HA TRP 52 19.514 1.223 2.840 346 1HB TRP 52 2HB TRP 52 17.143 -0.282 2.715 347 2HB TRP 52 1HB TRP 52 18.360 -0.339 3.985 348 HD1 TRP 52 HD1 TRP 52 15.447 2.063 3.120 349 HE1 TRP 52 HE1 TRP 52 14.170 2.587 5.297 350 HE3 TRP 52 HE3 TRP 52 18.207 -0.655 6.400 351 HZ2 TRP 52 HZ2 TRP 52 14.316 1.928 8.084 352 HZ3 TRP 52 HZ3 TRP 52 17.635 -0.700 8.814 353 HH2 TRP 52 HH2 TRP 52 15.692 0.591 9.660 354 H ASN 53 H ASN 53 18.141 -0.528 1.133 355 HA ASN 53 HA ASN 53 18.330 0.834 -1.363 356 1HB ASN 53 2HB ASN 53 17.813 -1.834 -0.463 357 2HB ASN 53 1HB ASN 53 16.585 -1.405 -1.655 358 1HD2 ASN 53 1HD2 ASN 53 20.030 -0.379 -1.436 359 2HD2 ASN 53 2HD2 ASN 53 20.457 -0.964 -2.970 360 H ASP 54 H ASP 54 16.671 1.554 -2.798 361 HA ASP 54 HA ASP 54 14.309 2.613 -1.436 362 1HB ASP 54 2HB ASP 54 14.596 2.762 -4.384 363 2HB ASP 54 1HB ASP 54 14.052 3.994 -3.255 364 H ASP 55 H ASP 55 12.175 1.968 -1.783 365 HA ASP 55 HA ASP 55 11.810 -0.764 -2.745 366 1HB ASP 55 2HB ASP 55 9.614 1.131 -2.010 367 2HB ASP 55 1HB ASP 55 9.633 -0.619 -1.856 368 H ARG 56 H ARG 56 11.026 -1.354 -4.737 369 HA ARG 56 HA ARG 56 10.067 0.829 -6.546 370 1HB ARG 56 2HB ARG 56 12.360 -0.757 -6.823 371 2HB ARG 56 1HB ARG 56 11.180 -1.488 -7.908 372 1HG ARG 56 2HG ARG 56 12.250 0.171 -9.212 373 2HG ARG 56 1HG ARG 56 10.712 0.893 -8.740 374 1HD ARG 56 2HD ARG 56 12.891 2.302 -8.470 375 2HD ARG 56 1HD ARG 56 11.716 2.301 -7.156 376 HE ARG 56 HE ARG 56 13.234 0.994 -5.849 377 1HH1 ARG 56 1HH2 ARG 56 13.999 -0.354 -8.673 378 2HH1 ARG 56 2HH2 ARG 56 15.717 -0.141 -8.587 379 1HH2 ARG 56 1HH1 ARG 56 15.575 2.057 -5.910 380 2HH2 ARG 56 2HH1 ARG 56 16.607 1.224 -7.024 381 H CYS 57 H CYS 57 8.461 0.150 -8.102 382 HA CYS 57 HA CYS 57 6.996 -2.310 -7.252 383 1HB CYS 57 2HB CYS 57 5.717 -0.191 -8.942 384 2HB CYS 57 1HB CYS 57 4.980 -1.274 -7.771 385 H THR 58 H THR 58 5.854 -3.385 -9.127 386 HA THR 58 HA THR 58 7.749 -3.669 -11.348 387 HB THR 58 HB THR 58 6.456 -5.585 -11.968 388 HG1 THR 58 HG1 THR 58 4.477 -4.211 -10.560 389 1HG2 THR 58 1HG2 THR 58 7.756 -5.872 -9.903 390 2HG2 THR 58 2HG2 THR 58 6.266 -6.813 -9.828 391 3HG2 THR 58 3HG2 THR 58 6.391 -5.288 -8.951 392 H GLY 59 H GLY 59 6.205 -4.152 -13.531 393 1HA GLY 59 2HA GLY 59 5.061 -1.461 -14.063 394 2HA GLY 59 1HA GLY 59 5.584 -2.610 -15.294 395 H GLN 60 H GLN 60 3.793 -4.032 -12.750 396 HA GLN 60 HA GLN 60 1.166 -3.594 -13.981 397 1HB GLN 60 2HB GLN 60 0.824 -6.053 -14.400 398 2HB GLN 60 1HB GLN 60 2.002 -5.305 -15.479 399 1HG GLN 60 2HG GLN 60 3.804 -6.062 -13.855 400 2HG GLN 60 1HG GLN 60 2.560 -7.012 -13.043 401 1HE2 GLN 60 1HE2 GLN 60 3.267 -6.431 -16.541 402 2HE2 GLN 60 2HE2 GLN 60 3.329 -8.078 -16.947 403 H SER 61 H SER 61 2.713 -3.538 -11.309 404 HA SER 61 HA SER 61 0.794 -5.247 -9.771 405 1HB SER 61 2HB SER 61 3.170 -5.855 -9.436 406 2HB SER 61 1HB SER 61 3.518 -4.203 -8.934 407 HG SER 61 HG SER 61 2.846 -6.083 -7.364 408 H ALA 62 H ALA 62 -0.226 -4.278 -7.924 409 HA ALA 62 HA ALA 62 -0.199 -1.291 -8.004 410 1HB ALA 62 1HB ALA 62 -2.346 -3.026 -6.770 411 2HB ALA 62 2HB ALA 62 -2.374 -2.554 -8.469 412 3HB ALA 62 3HB ALA 62 -2.449 -1.322 -7.210 413 H ASP 63 H ASP 63 0.227 -4.097 -5.940 414 HA ASP 63 HA ASP 63 0.400 -2.396 -3.529 415 1HB ASP 63 2HB ASP 63 0.271 -5.297 -4.076 416 2HB ASP 63 1HB ASP 63 1.200 -4.817 -2.661 417 H CYS 64 H CYS 64 2.411 -2.999 -2.090 418 HA CYS 64 HA CYS 64 4.819 -3.009 -3.855 419 1HB CYS 64 2HB CYS 64 4.686 -0.803 -3.090 420 2HB CYS 64 1HB CYS 64 4.142 -1.272 -1.488 421 HA PRO 65 HA PRO 65 5.432 -6.525 -1.188 422 1HB PRO 65 2HB PRO 65 6.989 -7.805 -3.044 423 2HB PRO 65 1HB PRO 65 5.226 -7.887 -3.033 424 1HG PRO 65 2HG PRO 65 7.040 -6.441 -4.882 425 2HG PRO 65 1HG PRO 65 5.360 -6.949 -5.130 426 1HD PRO 65 2HD PRO 65 6.277 -4.327 -4.491 427 2HD PRO 65 1HD PRO 65 4.591 -4.876 -4.551 428 H ARG 66 H ARG 66 7.043 -6.483 0.350 429 HA ARG 66 HA ARG 66 9.827 -6.422 -0.265 430 1HB ARG 66 2HB ARG 66 9.055 -3.992 -0.744 431 2HB ARG 66 1HB ARG 66 8.923 -3.843 1.009 432 1HG ARG 66 2HG ARG 66 11.159 -3.666 1.237 433 2HG ARG 66 1HG ARG 66 11.428 -5.108 0.256 434 1HD ARG 66 2HD ARG 66 10.578 -3.129 -1.555 435 2HD ARG 66 1HD ARG 66 11.723 -2.322 -0.483 436 HE ARG 66 HE ARG 66 12.890 -4.788 -1.216 437 1HH1 ARG 66 1HH2 ARG 66 11.400 -3.749 -3.758 438 2HH1 ARG 66 2HH2 ARG 66 12.716 -2.969 -4.571 439 1HH2 ARG 66 1HH1 ARG 66 14.781 -2.961 -1.787 440 2HH2 ARG 66 2HH1 ARG 66 14.628 -2.523 -3.456 441 H TYR 67 H TYR 67 11.085 -6.767 1.633 442 HA TYR 67 HA TYR 67 9.698 -7.942 3.835 443 1HB TYR 67 2HB TYR 67 12.050 -7.724 4.942 444 2HB TYR 67 1HB TYR 67 11.878 -8.760 3.526 445 HD1 TYR 67 HD1 TYR 67 12.968 -5.401 4.683 446 HD2 TYR 67 HD2 TYR 67 12.968 -8.241 1.460 447 HE1 TYR 67 HE1 TYR 67 14.654 -4.035 3.480 448 HE2 TYR 67 HE2 TYR 67 14.652 -6.874 0.258 449 HH TYR 67 HH TYR 67 15.780 -4.952 0.229 450 H HIS 68 HN HIS 68 11.215 -4.754 3.406 451 HA HIS 68 HA HIS 68 10.303 -3.973 6.121 452 1HB HIS 68 2HB HIS 68 12.262 -2.905 4.142 453 2HB HIS 68 1HB HIS 68 11.471 -1.737 5.199 454 HD1 HIS 68 HD1 HIS 68 11.300 -3.144 7.832 455 HD2 HIS 68 HD2 HIS 68 14.660 -3.481 5.388 456 HE1 HIS 68 HE1 HIS 68 13.214 -3.836 9.338 Start of MODEL 10 1 1H GLY 1 1HT GLY 1 -8.886 -12.490 -7.276 2 2H GLY 1 2HT GLY 1 -10.260 -12.552 -6.279 3 3H GLY 1 3HT GLY 1 -9.327 -13.949 -6.533 4 1HA GLY 1 1HA GLY 1 -7.867 -13.427 -4.952 5 2HA GLY 1 2HA GLY 1 -7.798 -11.750 -5.495 6 H LYS 2 H LYS 2 -8.613 -10.313 -4.055 7 HA LYS 2 HA LYS 2 -10.276 -11.287 -1.830 8 1HB LYS 2 2HB LYS 2 -8.926 -8.675 -2.487 9 2HB LYS 2 1HB LYS 2 -10.127 -8.770 -1.199 10 1HG LYS 2 2HG LYS 2 -8.557 -10.955 -0.654 11 2HG LYS 2 1HG LYS 2 -7.369 -9.806 -1.272 12 1HD LYS 2 2HD LYS 2 -7.374 -9.030 0.873 13 2HD LYS 2 1HD LYS 2 -8.832 -8.183 0.353 14 1HE LYS 2 2HE LYS 2 -10.191 -9.504 1.605 15 2HE LYS 2 1HE LYS 2 -9.299 -10.968 1.189 16 1HZ LYS 2 1HZ LYS 2 -7.500 -9.920 2.709 17 2HZ LYS 2 2HZ LYS 2 -8.818 -10.738 3.404 18 3HZ LYS 2 3HZ LYS 2 -8.799 -9.040 3.350 19 H GLU 3 H GLU 3 -11.963 -9.206 -1.297 20 HA GLU 3 HA GLU 3 -13.623 -8.959 -3.765 21 1HB GLU 3 2HB GLU 3 -14.320 -10.009 -1.090 22 2HB GLU 3 1HB GLU 3 -15.529 -9.000 -1.876 23 1HG GLU 3 2HG GLU 3 -15.370 -10.437 -3.900 24 2HG GLU 3 1HG GLU 3 -14.223 -11.474 -3.049 25 H CYS 4 H CYS 4 -12.002 -6.903 -3.270 26 HA CYS 4 HA CYS 4 -13.733 -4.664 -2.821 27 1HB CYS 4 2HB CYS 4 -12.170 -5.685 -0.502 28 2HB CYS 4 1HB CYS 4 -12.159 -3.951 -0.752 29 H ASP 5 H ASP 5 -12.335 -4.760 -4.940 30 HA ASP 5 HA ASP 5 -9.610 -4.364 -5.116 31 1HB ASP 5 2HB ASP 5 -11.160 -4.353 -7.060 32 2HB ASP 5 1HB ASP 5 -11.664 -2.721 -6.617 33 H CYS 6 H CYS 6 -11.996 -2.001 -3.988 34 HA CYS 6 HA CYS 6 -9.693 -0.259 -3.199 35 1HB CYS 6 2HB CYS 6 -10.846 1.688 -3.842 36 2HB CYS 6 1HB CYS 6 -11.230 0.556 -5.135 37 H SER 7 H SER 7 -10.511 1.380 -1.423 38 HA SER 7 HA SER 7 -12.118 -0.197 0.543 39 1HB SER 7 2HB SER 7 -10.496 0.191 2.060 40 2HB SER 7 1HB SER 7 -9.521 0.874 0.764 41 HG SER 7 HG SER 7 -9.845 2.767 1.599 42 H SER 8 H SER 8 -12.016 2.644 -1.338 43 HA SER 8 HA SER 8 -13.910 4.056 0.466 44 1HB SER 8 2HB SER 8 -11.826 4.929 -1.247 45 2HB SER 8 1HB SER 8 -13.339 5.533 -1.912 46 HG SER 8 HG SER 8 -13.816 6.337 0.195 47 HA PRO 9 HA PRO 9 -17.105 2.587 -2.284 48 1HB PRO 9 2HB PRO 9 -19.181 3.712 -0.880 49 2HB PRO 9 1HB PRO 9 -18.382 2.205 -0.402 50 1HG PRO 9 2HG PRO 9 -18.145 4.919 0.807 51 2HG PRO 9 1HG PRO 9 -17.898 3.332 1.555 52 1HD PRO 9 2HD PRO 9 -15.860 5.098 0.682 53 2HD PRO 9 1HD PRO 9 -15.645 3.396 1.141 54 H GLU 10 H GLU 10 -15.848 5.606 -2.074 55 HA GLU 10 HA GLU 10 -17.965 6.794 -3.825 56 1HB GLU 10 2HB GLU 10 -16.276 7.921 -1.656 57 2HB GLU 10 1HB GLU 10 -16.507 8.947 -3.072 58 1HG GLU 10 2HG GLU 10 -18.780 9.155 -2.727 59 2HG GLU 10 1HG GLU 10 -18.911 7.578 -1.947 60 H ASN 11 H ASN 11 -14.861 5.506 -3.775 61 HA ASN 11 HA ASN 11 -13.472 7.217 -5.577 62 1HB ASN 11 2HB ASN 11 -12.922 4.847 -4.226 63 2HB ASN 11 1HB ASN 11 -12.859 4.385 -5.925 64 1HD2 ASN 11 1HD2 ASN 11 -10.435 4.160 -5.437 65 2HD2 ASN 11 2HD2 ASN 11 -9.474 5.556 -5.544 66 HA PRO 12 HA PRO 12 -15.767 6.304 -9.256 67 1HB PRO 12 2HB PRO 12 -14.101 7.634 -10.991 68 2HB PRO 12 1HB PRO 12 -15.260 8.448 -9.925 69 1HG PRO 12 2HG PRO 12 -12.295 8.273 -9.681 70 2HG PRO 12 1HG PRO 12 -13.403 9.506 -9.057 71 1HD PRO 12 2HD PRO 12 -12.226 7.402 -7.558 72 2HD PRO 12 1HD PRO 12 -13.548 8.463 -7.024 73 H CYS 13 H CYS 13 -12.963 4.831 -8.362 74 HA CYS 13 HA CYS 13 -12.636 3.447 -10.996 75 1HB CYS 13 2HB CYS 13 -10.696 4.710 -9.498 76 2HB CYS 13 1HB CYS 13 -10.524 3.017 -9.042 77 H CYS 14 H CYS 14 -14.403 2.946 -8.432 78 HA CYS 14 HA CYS 14 -14.075 0.062 -8.662 79 1HB CYS 14 2HB CYS 14 -13.562 -0.404 -6.355 80 2HB CYS 14 1HB CYS 14 -12.363 0.748 -6.946 81 H ASP 15 H ASP 15 -16.058 -0.788 -8.639 82 HA ASP 15 HA ASP 15 -18.415 0.699 -8.074 83 1HB ASP 15 2HB ASP 15 -17.961 -1.582 -9.374 84 2HB ASP 15 1HB ASP 15 -18.433 -2.253 -7.821 85 H ALA 16 H ALA 16 -19.433 1.101 -6.142 86 HA ALA 16 HA ALA 16 -18.204 0.103 -3.693 87 1HB ALA 16 1HB ALA 16 -20.594 1.905 -4.154 88 2HB ALA 16 2HB ALA 16 -18.954 2.420 -3.762 89 3HB ALA 16 3HB ALA 16 -19.909 1.538 -2.570 90 H ALA 17 H ALA 17 -20.733 -0.911 -5.750 91 HA ALA 17 HA ALA 17 -22.236 -2.267 -3.602 92 1HB ALA 17 1HB ALA 17 -22.575 -2.241 -6.615 93 2HB ALA 17 2HB ALA 17 -23.529 -1.339 -5.438 94 3HB ALA 17 3HB ALA 17 -23.643 -3.098 -5.503 95 H THR 18 H THR 18 -19.645 -2.957 -5.772 96 HA THR 18 HA THR 18 -19.860 -5.852 -5.039 97 HB THR 18 HB THR 18 -18.732 -6.359 -7.193 98 HG1 THR 18 HG1 THR 18 -17.672 -4.563 -7.739 99 1HG2 THR 18 1HG2 THR 18 -20.763 -5.143 -8.577 100 2HG2 THR 18 2HG2 THR 18 -21.392 -5.130 -6.930 101 3HG2 THR 18 3HG2 THR 18 -20.926 -6.655 -7.683 102 H CYS 19 H CYS 19 -18.236 -3.158 -4.297 103 HA CYS 19 HA CYS 19 -16.019 -2.662 -3.662 104 1HB CYS 19 2HB CYS 19 -16.992 -4.847 -2.231 105 2HB CYS 19 1HB CYS 19 -15.396 -5.332 -2.749 106 H LYS 20 H LYS 20 -15.534 -2.674 -6.079 107 HA LYS 20 HA LYS 20 -13.085 -4.133 -6.524 108 1HB LYS 20 2HB LYS 20 -15.624 -5.235 -7.544 109 2HB LYS 20 1HB LYS 20 -14.341 -5.098 -8.750 110 1HG LYS 20 2HG LYS 20 -13.173 -6.099 -6.354 111 2HG LYS 20 1HG LYS 20 -14.629 -7.043 -6.670 112 1HD LYS 20 2HD LYS 20 -13.810 -7.293 -9.065 113 2HD LYS 20 1HD LYS 20 -12.277 -6.609 -8.524 114 1HE LYS 20 2HE LYS 20 -11.972 -8.409 -6.926 115 2HE LYS 20 1HE LYS 20 -13.577 -9.048 -7.281 116 1HZ LYS 20 1HZ LYS 20 -12.634 -10.262 -8.857 117 2HZ LYS 20 2HZ LYS 20 -11.135 -9.491 -8.650 118 3HZ LYS 20 3HZ LYS 20 -12.290 -8.837 -9.709 119 H LEU 21 H LEU 21 -12.733 -3.851 -9.206 120 HA LEU 21 HA LEU 21 -12.762 -0.958 -9.504 121 1HB LEU 21 2HB LEU 21 -11.781 -3.257 -11.162 122 2HB LEU 21 1HB LEU 21 -11.934 -1.662 -11.902 123 HG LEU 21 HG LEU 21 -10.529 -1.997 -9.267 124 1HD1 LEU 21 1HD1 LEU 21 -8.686 -2.902 -10.208 125 2HD1 LEU 21 2HD1 LEU 21 -8.769 -1.802 -11.583 126 3HD1 LEU 21 3HD1 LEU 21 -9.710 -3.293 -11.590 127 1HD2 LEU 21 1HD2 LEU 21 -10.233 0.207 -9.514 128 2HD2 LEU 21 2HD2 LEU 21 -11.138 0.156 -11.027 129 3HD2 LEU 21 3HD2 LEU 21 -9.390 -0.074 -11.037 130 H ARG 22 H ARG 22 -14.272 0.262 -10.499 131 HA ARG 22 HA ARG 22 -16.655 -1.036 -11.593 132 1HB ARG 22 2HB ARG 22 -16.058 1.479 -10.447 133 2HB ARG 22 1HB ARG 22 -16.563 1.804 -12.105 134 1HG ARG 22 2HG ARG 22 -18.202 -0.211 -10.709 135 2HG ARG 22 1HG ARG 22 -18.292 1.411 -10.018 136 1HD ARG 22 2HD ARG 22 -18.405 1.882 -12.748 137 2HD ARG 22 1HD ARG 22 -19.355 0.411 -12.554 138 HE ARG 22 HE ARG 22 -21.014 1.735 -11.545 139 1HH1 ARG 22 1HH1 ARG 22 -17.895 3.189 -11.260 140 2HH1 ARG 22 2HH1 ARG 22 -18.491 4.626 -10.503 141 1HH2 ARG 22 1HH2 ARG 22 -21.804 3.615 -10.564 142 2HH2 ARG 22 2HH2 ARG 22 -20.698 4.869 -10.110 143 HA PRO 23 HA PRO 23 -15.060 0.955 -15.627 144 1HB PRO 23 2HB PRO 23 -12.645 2.260 -15.553 145 2HB PRO 23 1HB PRO 23 -14.195 3.057 -15.233 146 1HG PRO 23 2HG PRO 23 -12.063 2.261 -13.309 147 2HG PRO 23 1HG PRO 23 -13.276 3.545 -13.173 148 1HD PRO 23 2HD PRO 23 -13.386 1.010 -11.912 149 2HD PRO 23 1HD PRO 23 -14.715 2.180 -12.036 150 H GLY 24 H GLY 24 -12.761 0.757 -17.038 151 1HA GLY 24 2HA GLY 24 -11.932 -2.038 -16.558 152 2HA GLY 24 1HA GLY 24 -11.594 -1.095 -18.010 153 H ALA 25 H ALA 25 -11.022 0.474 -15.001 154 HA ALA 25 HA ALA 25 -8.286 0.985 -15.542 155 1HB ALA 25 1HB ALA 25 -9.633 2.343 -13.982 156 2HB ALA 25 2HB ALA 25 -8.166 1.753 -13.199 157 3HB ALA 25 3HB ALA 25 -9.716 0.980 -12.867 158 H GLN 26 H GLN 26 -6.471 0.274 -13.977 159 HA GLN 26 HA GLN 26 -6.660 -2.683 -13.672 160 1HB GLN 26 2HB GLN 26 -4.624 -0.905 -14.646 161 2HB GLN 26 1HB GLN 26 -3.997 -1.819 -13.275 162 1HG GLN 26 2HG GLN 26 -3.657 -3.500 -14.756 163 2HG GLN 26 1HG GLN 26 -5.403 -3.727 -14.706 164 1HE2 GLN 26 1HE2 GLN 26 -6.295 -3.762 -16.764 165 2HE2 GLN 26 2HE2 GLN 26 -5.729 -2.870 -18.092 166 H CYS 27 H CYS 27 -6.936 0.067 -11.829 167 HA CYS 27 HA CYS 27 -6.879 -1.335 -9.352 168 1HB CYS 27 2HB CYS 27 -4.858 -0.041 -8.399 169 2HB CYS 27 1HB CYS 27 -4.515 -1.432 -9.428 170 H GLY 28 H GLY 28 -7.725 -0.046 -7.685 171 1HA GLY 28 2HA GLY 28 -8.631 2.647 -8.565 172 2HA GLY 28 1HA GLY 28 -9.361 1.702 -7.268 173 H GLU 29 H GLU 29 -6.351 1.126 -6.531 174 HA GLU 29 HA GLU 29 -5.174 3.568 -5.684 175 1HB GLU 29 2HB GLU 29 -5.819 3.662 -3.339 176 2HB GLU 29 1HB GLU 29 -7.273 3.724 -4.334 177 1HG GLU 29 2HG GLU 29 -7.416 1.196 -4.055 178 2HG GLU 29 1HG GLU 29 -6.173 1.355 -2.814 179 H GLY 30 H GLY 30 -3.090 3.005 -5.259 180 1HA GLY 30 1HA GLY 30 -2.440 0.670 -3.623 181 2HA GLY 30 2HA GLY 30 -1.988 0.488 -5.317 182 H LEU 31 H LEU 31 0.041 0.512 -3.421 183 HA LEU 31 HA LEU 31 1.128 3.069 -2.807 184 1HB LEU 31 2HB LEU 31 1.970 0.364 -2.600 185 2HB LEU 31 1HB LEU 31 3.259 1.275 -3.373 186 HG LEU 31 HG LEU 31 3.599 1.408 -0.984 187 1HD1 LEU 31 1HD1 LEU 31 2.279 4.036 -1.603 188 2HD1 LEU 31 2HD1 LEU 31 3.690 3.529 -2.533 189 3HD1 LEU 31 3HD1 LEU 31 3.809 3.725 -0.785 190 1HD2 LEU 31 1HD2 LEU 31 1.270 2.871 -0.164 191 2HD2 LEU 31 2HD2 LEU 31 1.850 1.315 0.431 192 3HD2 LEU 31 3HD2 LEU 31 0.749 1.378 -0.945 193 H CYS 32 H CYS 32 0.814 1.434 -5.805 194 HA CYS 32 HA CYS 32 2.313 3.620 -7.118 195 1HB CYS 32 2HB CYS 32 2.874 0.718 -7.780 196 2HB CYS 32 1HB CYS 32 3.682 2.141 -8.436 197 H CYS 33 H CYS 33 -0.438 3.386 -7.136 198 HA CYS 33 HA CYS 33 -1.008 2.234 -9.838 199 1HB CYS 33 2HB CYS 33 -2.460 1.232 -8.181 200 2HB CYS 33 1HB CYS 33 -2.872 2.810 -7.512 201 H GLU 34 H GLU 34 -0.479 3.967 -11.148 202 HA GLU 34 HA GLU 34 -0.915 6.708 -10.552 203 1HB GLU 34 2HB GLU 34 -0.534 7.122 -12.901 204 2HB GLU 34 1HB GLU 34 0.536 5.814 -12.398 205 1HG GLU 34 2HG GLU 34 -0.957 4.152 -13.330 206 2HG GLU 34 1HG GLU 34 -2.174 5.380 -13.683 207 H GLN 35 H GLN 35 -2.360 7.472 -12.960 208 HA GLN 35 HA GLN 35 -4.953 7.784 -11.887 209 1HB GLN 35 2HB GLN 35 -5.570 8.262 -14.358 210 2HB GLN 35 1HB GLN 35 -4.360 9.297 -13.596 211 1HG GLN 35 2HG GLN 35 -2.606 8.357 -14.784 212 2HG GLN 35 1HG GLN 35 -3.435 6.813 -14.988 213 1HE2 GLN 35 1HE2 GLN 35 -2.296 9.098 -16.908 214 2HE2 GLN 35 2HE2 GLN 35 -3.526 9.219 -18.071 215 H CYS 36 H CYS 36 -5.698 5.722 -11.196 216 HA CYS 36 HA CYS 36 -6.727 3.622 -11.433 217 1HB CYS 36 2HB CYS 36 -7.726 5.259 -13.754 218 2HB CYS 36 1HB CYS 36 -8.261 3.596 -13.527 219 H LYS 37 H LYS 37 -4.004 3.876 -12.600 220 HA LYS 37 HA LYS 37 -4.214 1.535 -14.426 221 1HB LYS 37 2HB LYS 37 -2.498 3.968 -15.012 222 2HB LYS 37 1HB LYS 37 -2.609 2.509 -15.994 223 1HG LYS 37 2HG LYS 37 -5.264 3.340 -15.642 224 2HG LYS 37 1HG LYS 37 -4.361 4.823 -15.950 225 1HD LYS 37 2HD LYS 37 -3.273 3.580 -17.906 226 2HD LYS 37 1HD LYS 37 -4.520 2.352 -17.682 227 1HE LYS 37 2HE LYS 37 -6.218 4.266 -17.819 228 2HE LYS 37 1HE LYS 37 -4.887 5.265 -18.405 229 1HZ LYS 37 1HZ LYS 37 -4.635 3.082 -19.930 230 2HZ LYS 37 2HZ LYS 37 -5.504 4.467 -20.389 231 3HZ LYS 37 3HZ LYS 37 -6.319 3.129 -19.730 232 H PHE 38 H PHE 38 -2.305 0.198 -14.384 233 HA PHE 38 HA PHE 38 -0.931 0.215 -11.849 234 1HB PHE 38 2HB PHE 38 -0.704 -1.396 -14.370 235 2HB PHE 38 1HB PHE 38 0.574 -1.508 -13.161 236 HD1 PHE 38 HD1 PHE 38 -0.927 -1.182 -10.640 237 HD2 PHE 38 HD2 PHE 38 -1.899 -3.418 -14.175 238 HE1 PHE 38 HE1 PHE 38 -2.337 -2.707 -9.288 239 HE2 PHE 38 HE2 PHE 38 -3.312 -4.943 -12.823 240 HZ PHE 38 HZ PHE 38 -3.531 -4.587 -10.377 241 H SER 39 H SER 39 0.618 1.672 -11.354 242 HA SER 39 HA SER 39 2.003 3.381 -13.083 243 1HB SER 39 2HB SER 39 3.685 3.584 -11.300 244 2HB SER 39 1HB SER 39 2.071 3.527 -10.594 245 HG SER 39 HG SER 39 4.154 1.824 -10.305 246 H ARG 40 H ARG 40 4.573 3.152 -13.311 247 HA ARG 40 HA ARG 40 4.986 0.604 -14.723 248 1HB ARG 40 2HB ARG 40 6.802 1.669 -15.846 249 2HB ARG 40 1HB ARG 40 5.530 2.886 -15.755 250 1HG ARG 40 2HG ARG 40 6.791 3.381 -13.415 251 2HG ARG 40 1HG ARG 40 8.153 2.782 -14.363 252 1HD ARG 40 2HD ARG 40 7.595 4.409 -16.155 253 2HD ARG 40 1HD ARG 40 6.286 5.038 -15.153 254 HE ARG 40 HE ARG 40 9.172 5.449 -14.686 255 1HH1 ARG 40 1HH1 ARG 40 6.029 5.345 -13.304 256 2HH1 ARG 40 2HH1 ARG 40 6.308 6.672 -12.227 257 1HH2 ARG 40 1HH2 ARG 40 9.501 7.316 -13.422 258 2HH2 ARG 40 2HH2 ARG 40 8.275 7.789 -12.293 259 H ALA 41 H ALA 41 6.631 -0.843 -14.129 260 HA ALA 41 HA ALA 41 7.275 -1.185 -11.444 261 1HB ALA 41 1HB ALA 41 7.765 -3.070 -12.714 262 2HB ALA 41 2HB ALA 41 9.386 -2.413 -12.488 263 3HB ALA 41 3HB ALA 41 8.523 -2.129 -13.998 264 H GLY 42 H GLY 42 9.869 -1.295 -10.861 265 1HA GLY 42 2HA GLY 42 11.635 0.077 -10.137 266 2HA GLY 42 1HA GLY 42 11.544 0.808 -11.743 267 H LYS 43 H LYS 43 8.675 0.806 -9.829 268 HA LYS 43 HA LYS 43 8.867 3.745 -9.607 269 1HB LYS 43 2HB LYS 43 6.779 3.177 -10.493 270 2HB LYS 43 1HB LYS 43 6.620 1.759 -9.469 271 1HG LYS 43 2HG LYS 43 5.351 2.999 -8.080 272 2HG LYS 43 1HG LYS 43 6.775 3.951 -7.695 273 1HD LYS 43 2HD LYS 43 6.203 5.168 -9.965 274 2HD LYS 43 1HD LYS 43 4.587 4.536 -9.649 275 1HE LYS 43 2HE LYS 43 4.382 6.468 -8.438 276 2HE LYS 43 1HE LYS 43 5.182 5.507 -7.195 277 1HZ LYS 43 1HZ LYS 43 6.244 7.656 -8.858 278 2HZ LYS 43 2HZ LYS 43 7.297 6.373 -8.494 279 3HZ LYS 43 3HZ LYS 43 6.579 7.268 -7.241 280 H ILE 44 H ILE 44 9.036 4.793 -7.628 281 HA ILE 44 HA ILE 44 9.923 3.178 -5.381 282 HB ILE 44 HB ILE 44 10.906 5.374 -5.826 283 1HG1 ILE 44 2HG1 ILE 44 10.497 6.374 -3.501 284 2HG1 ILE 44 1HG1 ILE 44 9.343 5.063 -3.252 285 1HG2 ILE 44 1HG2 ILE 44 8.177 6.093 -6.166 286 2HG2 ILE 44 2HG2 ILE 44 9.600 7.109 -6.396 287 3HG2 ILE 44 3HG2 ILE 44 8.805 7.048 -4.822 288 1HD1 ILE 44 1HD1 ILE 44 11.932 4.816 -2.595 289 2HD1 ILE 44 2HD1 ILE 44 12.040 4.317 -4.283 290 3HD1 ILE 44 3HD1 ILE 44 10.980 3.448 -3.172 291 H CYS 45 H CYS 45 8.702 2.293 -3.903 292 HA CYS 45 HA CYS 45 5.961 3.378 -3.382 293 1HB CYS 45 2HB CYS 45 5.618 0.994 -2.421 294 2HB CYS 45 1HB CYS 45 5.671 1.166 -4.168 295 H ARG 46 H ARG 46 9.083 2.649 -2.111 296 HA ARG 46 HA ARG 46 8.347 3.858 0.447 297 1HB ARG 46 2HB ARG 46 8.717 0.930 0.136 298 2HB ARG 46 1HB ARG 46 9.557 1.670 1.500 299 1HG ARG 46 2HG ARG 46 7.624 1.767 2.644 300 2HG ARG 46 1HG ARG 46 6.924 2.779 1.379 301 1HD ARG 46 2HD ARG 46 5.513 1.054 0.986 302 2HD ARG 46 1HD ARG 46 6.896 0.250 0.244 303 HE ARG 46 HE ARG 46 6.929 -0.184 3.084 304 1HH1 ARG 46 1HH2 ARG 46 7.428 -2.341 1.097 305 2HH1 ARG 46 2HH2 ARG 46 6.016 -3.331 1.254 306 1HH2 ARG 46 1HH1 ARG 46 4.170 -0.904 2.902 307 2HH2 ARG 46 2HH1 ARG 46 4.174 -2.519 2.275 308 H ILE 47 H ILE 47 10.427 3.701 1.945 309 HA ILE 47 HA ILE 47 12.811 4.105 0.181 310 HB ILE 47 HB ILE 47 12.203 6.253 1.024 311 1HG1 ILE 47 2HG1 ILE 47 14.055 6.804 2.547 312 2HG1 ILE 47 1HG1 ILE 47 14.273 5.094 2.920 313 1HG2 ILE 47 1HG2 ILE 47 12.141 6.210 3.763 314 2HG2 ILE 47 2HG2 ILE 47 11.394 4.661 3.373 315 3HG2 ILE 47 3HG2 ILE 47 10.709 6.155 2.735 316 1HD1 ILE 47 1HD1 ILE 47 15.720 6.308 1.029 317 2HD1 ILE 47 2HD1 ILE 47 14.316 5.892 0.045 318 3HD1 ILE 47 3HD1 ILE 47 15.221 4.623 0.872 319 H ALA 48 H ALA 48 14.561 2.858 0.698 320 HA ALA 48 HA ALA 48 14.430 0.745 2.563 321 1HB ALA 48 1HB ALA 48 16.441 0.193 1.680 322 2HB ALA 48 2HB ALA 48 17.154 1.734 2.158 323 3HB ALA 48 3HB ALA 48 16.254 1.610 0.646 324 H ARG 49 H ARG 49 16.403 0.675 4.335 325 HA ARG 49 HA ARG 49 16.043 3.109 6.016 326 1HB ARG 49 2HB ARG 49 16.478 0.355 7.092 327 2HB ARG 49 1HB ARG 49 15.915 1.775 7.963 328 1HG ARG 49 2HG ARG 49 14.218 1.167 5.674 329 2HG ARG 49 1HG ARG 49 14.304 -0.187 6.802 330 1HD ARG 49 2HD ARG 49 13.878 2.604 7.836 331 2HD ARG 49 1HD ARG 49 12.516 1.681 7.202 332 HE ARG 49 HE ARG 49 13.595 -0.100 8.952 333 1HH1 ARG 49 1HH1 ARG 49 11.150 1.658 9.536 334 2HH1 ARG 49 2HH1 ARG 49 11.597 2.337 11.065 335 1HH2 ARG 49 1HH2 ARG 49 14.941 1.464 10.775 336 2HH2 ARG 49 2HH2 ARG 49 13.744 2.229 11.767 337 H GLY 50 H GLY 50 18.102 0.260 6.199 338 1HA GLY 50 2HA GLY 50 20.354 1.628 7.243 339 2HA GLY 50 1HA GLY 50 20.427 0.062 6.439 340 H ASP 51 H ASP 51 21.542 0.030 4.544 341 HA ASP 51 HA ASP 51 21.635 2.493 2.914 342 1HB ASP 51 2HB ASP 51 23.794 1.536 4.447 343 2HB ASP 51 1HB ASP 51 24.152 1.114 2.774 344 H TRP 52 H TRP 52 20.690 1.849 1.037 345 HA TRP 52 HA TRP 52 21.879 -0.131 -0.643 346 1HB TRP 52 2HB TRP 52 19.407 -1.415 -0.425 347 2HB TRP 52 1HB TRP 52 20.951 -2.033 0.148 348 HD1 TRP 52 HD1 TRP 52 18.585 0.690 1.574 349 HE1 TRP 52 HE1 TRP 52 18.160 0.150 4.058 350 HE3 TRP 52 HE3 TRP 52 21.243 -3.646 2.003 351 HZ2 TRP 52 HZ2 TRP 52 18.849 -1.859 5.973 352 HZ3 TRP 52 HZ3 TRP 52 21.343 -4.853 4.165 353 HH2 TRP 52 HH2 TRP 52 20.150 -3.967 6.149 354 H ASN 53 H ASN 53 19.651 -0.879 -2.174 355 HA ASN 53 HA ASN 53 19.117 1.594 -3.571 356 1HB ASN 53 2HB ASN 53 17.668 0.170 -5.009 357 2HB ASN 53 1HB ASN 53 19.273 -0.523 -4.783 358 1HD2 ASN 53 1HD2 ASN 53 18.346 -2.702 -5.199 359 2HD2 ASN 53 2HD2 ASN 53 17.451 -3.491 -3.992 360 H ASP 54 H ASP 54 16.510 1.610 -4.291 361 HA ASP 54 HA ASP 54 15.111 2.117 -1.703 362 1HB ASP 54 2HB ASP 54 15.290 3.548 -4.224 363 2HB ASP 54 1HB ASP 54 13.617 3.286 -3.742 364 H ASP 55 H ASP 55 12.654 1.790 -1.883 365 HA ASP 55 HA ASP 55 12.184 -0.921 -2.867 366 1HB ASP 55 2HB ASP 55 11.049 0.766 -0.900 367 2HB ASP 55 1HB ASP 55 9.775 0.417 -2.065 368 H ARG 56 H ARG 56 11.475 -1.363 -4.903 369 HA ARG 56 HA ARG 56 10.252 0.860 -6.455 370 1HB ARG 56 2HB ARG 56 11.589 -1.645 -7.425 371 2HB ARG 56 1HB ARG 56 10.971 -0.355 -8.446 372 1HG ARG 56 2HG ARG 56 13.007 0.169 -6.279 373 2HG ARG 56 1HG ARG 56 13.490 -0.303 -7.909 374 1HD ARG 56 2HD ARG 56 12.954 1.724 -8.786 375 2HD ARG 56 1HD ARG 56 11.485 1.857 -7.820 376 HE ARG 56 HE ARG 56 13.182 2.390 -5.891 377 1HH1 ARG 56 1HH1 ARG 56 12.323 4.509 -8.040 378 2HH1 ARG 56 2HH1 ARG 56 13.847 5.296 -8.293 379 1HH2 ARG 56 1HH2 ARG 56 15.688 2.818 -6.715 380 2HH2 ARG 56 2HH2 ARG 56 15.751 4.339 -7.541 381 H CYS 57 H CYS 57 8.621 0.098 -8.120 382 HA CYS 57 HA CYS 57 6.900 -2.048 -6.952 383 1HB CYS 57 2HB CYS 57 6.277 0.604 -8.171 384 2HB CYS 57 1HB CYS 57 5.181 -0.721 -8.540 385 H THR 58 H THR 58 5.477 -3.032 -8.788 386 HA THR 58 HA THR 58 7.306 -3.722 -11.013 387 HB THR 58 HB THR 58 5.836 -5.607 -11.414 388 HG1 THR 58 HG1 THR 58 4.004 -5.747 -9.844 389 1HG2 THR 58 1HG2 THR 58 6.517 -6.785 -9.589 390 2HG2 THR 58 2HG2 THR 58 5.765 -5.660 -8.460 391 3HG2 THR 58 3HG2 THR 58 7.337 -5.282 -9.164 392 H GLY 59 H GLY 59 6.153 -4.011 -13.209 393 1HA GLY 59 2HA GLY 59 4.755 -1.481 -13.774 394 2HA GLY 59 1HA GLY 59 5.360 -2.619 -14.976 395 H GLN 60 H GLN 60 3.427 -3.823 -12.323 396 HA GLN 60 HA GLN 60 0.920 -3.667 -13.829 397 1HB GLN 60 2HB GLN 60 0.718 -6.217 -13.877 398 2HB GLN 60 1HB GLN 60 1.822 -5.498 -15.050 399 1HG GLN 60 2HG GLN 60 3.059 -6.115 -12.446 400 2HG GLN 60 1HG GLN 60 2.498 -7.530 -13.338 401 1HE2 GLN 60 1HE2 GLN 60 3.367 -7.816 -15.578 402 2HE2 GLN 60 2HE2 GLN 60 4.857 -7.117 -15.994 403 H SER 61 H SER 61 2.261 -3.373 -10.968 404 HA SER 61 HA SER 61 -0.036 -4.698 -9.582 405 1HB SER 61 2HB SER 61 1.834 -6.009 -8.932 406 2HB SER 61 1HB SER 61 2.864 -4.593 -8.750 407 HG SER 61 HG SER 61 0.863 -5.606 -7.082 408 H ALA 62 H ALA 62 -0.726 -3.611 -7.612 409 HA ALA 62 HA ALA 62 -0.184 -0.680 -7.721 410 1HB ALA 62 1HB ALA 62 -2.382 -0.404 -7.269 411 2HB ALA 62 2HB ALA 62 -2.288 -1.493 -5.886 412 3HB ALA 62 3HB ALA 62 -2.572 -2.142 -7.500 413 H ASP 63 H ASP 63 -0.552 -3.353 -5.366 414 HA ASP 63 HA ASP 63 0.470 -1.769 -3.170 415 1HB ASP 63 2HB ASP 63 0.661 -4.737 -3.177 416 2HB ASP 63 1HB ASP 63 0.208 -3.658 -1.865 417 H CYS 64 H CYS 64 2.557 -2.245 -2.067 418 HA CYS 64 HA CYS 64 4.639 -3.029 -4.062 419 1HB CYS 64 2HB CYS 64 4.883 -0.691 -3.593 420 2HB CYS 64 1HB CYS 64 4.714 -0.961 -1.860 421 HA PRO 65 HA PRO 65 5.616 -6.182 -1.186 422 1HB PRO 65 2HB PRO 65 7.790 -7.089 -2.578 423 2HB PRO 65 1HB PRO 65 6.129 -7.472 -3.027 424 1HG PRO 65 2HG PRO 65 8.065 -5.632 -4.327 425 2HG PRO 65 1HG PRO 65 6.650 -6.443 -5.019 426 1HD PRO 65 2HD PRO 65 6.807 -3.728 -4.203 427 2HD PRO 65 1HD PRO 65 5.338 -4.613 -4.663 428 H ARG 66 H ARG 66 8.091 -7.001 -0.455 429 HA ARG 66 HA ARG 66 9.216 -4.610 0.833 430 1HB ARG 66 2HB ARG 66 10.018 -7.492 1.270 431 2HB ARG 66 1HB ARG 66 10.298 -6.123 2.346 432 1HG ARG 66 2HG ARG 66 7.913 -5.894 2.763 433 2HG ARG 66 1HG ARG 66 7.550 -7.145 1.572 434 1HD ARG 66 2HD ARG 66 9.359 -7.733 3.909 435 2HD ARG 66 1HD ARG 66 7.605 -7.822 4.081 436 HE ARG 66 HE ARG 66 9.259 -9.755 2.712 437 1HH1 ARG 66 1HH2 ARG 66 6.146 -8.909 3.618 438 2HH1 ARG 66 2HH2 ARG 66 5.345 -9.826 2.385 439 1HH2 ARG 66 1HH1 ARG 66 8.271 -10.611 0.698 440 2HH2 ARG 66 2HH1 ARG 66 6.549 -10.788 0.731 441 H TYR 67 H TYR 67 11.490 -4.113 0.699 442 HA TYR 67 HA TYR 67 13.319 -5.605 -0.924 443 1HB TYR 67 2HB TYR 67 11.506 -4.003 -2.381 444 2HB TYR 67 1HB TYR 67 13.054 -3.162 -2.408 445 HD1 TYR 67 HD1 TYR 67 15.163 -4.656 -2.887 446 HD2 TYR 67 HD2 TYR 67 11.133 -5.749 -3.892 447 HE1 TYR 67 HE1 TYR 67 16.019 -6.271 -4.563 448 HE2 TYR 67 HE2 TYR 67 11.989 -7.366 -5.567 449 HH TYR 67 HH TYR 67 15.443 -8.035 -5.876 450 H HIS 68 HN HIS 68 13.635 -4.591 1.577 451 HA HIS 68 HA HIS 68 15.735 -2.547 1.133 452 1HB HIS 68 2HB HIS 68 14.745 -1.563 3.433 453 2HB HIS 68 1HB HIS 68 14.217 -0.976 1.856 454 HD1 HIS 68 HD1 HIS 68 13.237 -4.162 3.718 455 HD2 HIS 68 HD2 HIS 68 11.474 -0.736 2.127 456 HE1 HIS 68 HE1 HIS 68 10.736 -4.451 3.992 Start of MODEL 11 1 1H GLY 1 1HT GLY 1 -5.560 -12.815 2.419 2 2H GLY 1 2HT GLY 1 -6.915 -13.562 3.122 3 3H GLY 1 3HT GLY 1 -6.778 -11.868 3.124 4 1HA GLY 1 1HA GLY 1 -6.577 -12.537 0.481 5 2HA GLY 1 2HA GLY 1 -7.832 -13.600 1.117 6 H LYS 2 H LYS 2 -7.696 -10.900 -0.517 7 HA LYS 2 HA LYS 2 -10.024 -9.715 0.915 8 1HB LYS 2 2HB LYS 2 -9.018 -7.439 0.097 9 2HB LYS 2 1HB LYS 2 -8.393 -8.171 1.575 10 1HG LYS 2 2HG LYS 2 -6.385 -8.744 0.610 11 2HG LYS 2 1HG LYS 2 -7.102 -8.984 -0.985 12 1HD LYS 2 2HD LYS 2 -7.500 -6.392 -0.899 13 2HD LYS 2 1HD LYS 2 -6.232 -6.425 0.329 14 1HE LYS 2 2HE LYS 2 -4.709 -7.540 -1.237 15 2HE LYS 2 1HE LYS 2 -5.977 -7.585 -2.463 16 1HZ LYS 2 1HZ LYS 2 -4.388 -5.715 -2.705 17 2HZ LYS 2 2HZ LYS 2 -4.955 -5.086 -1.232 18 3HZ LYS 2 3HZ LYS 2 -6.005 -5.223 -2.560 19 H GLU 3 H GLU 3 -11.559 -8.753 -0.481 20 HA GLU 3 HA GLU 3 -10.990 -8.927 -3.404 21 1HB GLU 3 2HB GLU 3 -13.573 -9.643 -3.434 22 2HB GLU 3 1HB GLU 3 -12.278 -10.833 -3.320 23 1HG GLU 3 2HG GLU 3 -13.768 -11.439 -1.589 24 2HG GLU 3 1HG GLU 3 -12.495 -10.547 -0.759 25 H CYS 4 H CYS 4 -10.822 -6.574 -2.061 26 HA CYS 4 HA CYS 4 -13.192 -5.127 -3.079 27 1HB CYS 4 2HB CYS 4 -13.350 -5.542 -0.560 28 2HB CYS 4 1HB CYS 4 -12.009 -4.432 -0.436 29 H ASP 5 H ASP 5 -11.227 -5.089 -4.660 30 HA ASP 5 HA ASP 5 -8.868 -3.766 -4.455 31 1HB ASP 5 2HB ASP 5 -10.422 -4.466 -6.562 32 2HB ASP 5 1HB ASP 5 -10.542 -2.709 -6.660 33 H CYS 6 H CYS 6 -12.023 -2.233 -4.071 34 HA CYS 6 HA CYS 6 -10.558 0.354 -3.678 35 1HB CYS 6 2HB CYS 6 -12.637 1.493 -4.330 36 2HB CYS 6 1HB CYS 6 -12.102 0.397 -5.604 37 H SER 7 H SER 7 -11.674 1.830 -2.079 38 HA SER 7 HA SER 7 -13.094 0.281 0.037 39 1HB SER 7 2HB SER 7 -10.474 1.452 0.185 40 2HB SER 7 1HB SER 7 -11.548 2.266 1.317 41 HG SER 7 HG SER 7 -11.410 0.550 2.506 42 H SER 8 H SER 8 -13.343 2.727 -2.098 43 HA SER 8 HA SER 8 -15.035 4.348 -0.243 44 1HB SER 8 2HB SER 8 -14.441 6.022 -2.365 45 2HB SER 8 1HB SER 8 -13.650 6.053 -0.791 46 HG SER 8 HG SER 8 -12.032 4.787 -1.589 47 HA PRO 9 HA PRO 9 -18.139 3.058 -3.174 48 1HB PRO 9 2HB PRO 9 -20.238 4.275 -1.884 49 2HB PRO 9 1HB PRO 9 -19.531 2.735 -1.366 50 1HG PRO 9 2HG PRO 9 -19.244 5.436 -0.139 51 2HG PRO 9 1HG PRO 9 -19.108 3.840 0.617 52 1HD PRO 9 2HD PRO 9 -16.949 5.515 -0.142 53 2HD PRO 9 1HD PRO 9 -16.835 3.806 0.329 54 H GLU 10 H GLU 10 -16.746 6.005 -2.923 55 HA GLU 10 HA GLU 10 -18.685 7.268 -4.824 56 1HB GLU 10 2HB GLU 10 -18.080 9.427 -3.960 57 2HB GLU 10 1HB GLU 10 -18.422 8.409 -2.561 58 1HG GLU 10 2HG GLU 10 -15.678 8.038 -3.211 59 2HG GLU 10 1HG GLU 10 -15.984 9.775 -3.212 60 H ASN 11 H ASN 11 -16.312 5.481 -5.274 61 HA ASN 11 HA ASN 11 -14.547 7.363 -6.729 62 1HB ASN 11 2HB ASN 11 -13.946 5.253 -5.020 63 2HB ASN 11 1HB ASN 11 -13.669 4.585 -6.628 64 1HD2 ASN 11 1HD2 ASN 11 -11.303 4.636 -5.995 65 2HD2 ASN 11 2HD2 ASN 11 -10.449 6.093 -6.151 66 HA PRO 12 HA PRO 12 -16.179 5.779 -10.509 67 1HB PRO 12 2HB PRO 12 -14.163 6.659 -12.162 68 2HB PRO 12 1HB PRO 12 -15.413 7.723 -11.491 69 1HG PRO 12 2HG PRO 12 -12.548 7.459 -10.699 70 2HG PRO 12 1HG PRO 12 -13.628 8.856 -10.556 71 1HD PRO 12 2HD PRO 12 -12.905 7.106 -8.455 72 2HD PRO 12 1HD PRO 12 -14.238 8.280 -8.421 73 H CYS 13 H CYS 13 -12.851 5.114 -9.542 74 HA CYS 13 HA CYS 13 -12.688 2.770 -11.348 75 1HB CYS 13 2HB CYS 13 -10.795 4.476 -9.895 76 2HB CYS 13 1HB CYS 13 -10.425 2.759 -9.740 77 H CYS 14 H CYS 14 -14.713 2.576 -9.390 78 HA CYS 14 HA CYS 14 -13.678 0.268 -7.854 79 1HB CYS 14 2HB CYS 14 -13.390 1.904 -6.181 80 2HB CYS 14 1HB CYS 14 -14.832 2.789 -6.665 81 H ASP 15 H ASP 15 -15.398 -1.076 -7.009 82 HA ASP 15 HA ASP 15 -18.034 -0.666 -8.335 83 1HB ASP 15 2HB ASP 15 -16.505 -2.557 -9.237 84 2HB ASP 15 1HB ASP 15 -16.891 -3.365 -7.724 85 H ALA 16 H ALA 16 -19.441 -0.190 -6.723 86 HA ALA 16 HA ALA 16 -18.938 -1.093 -3.990 87 1HB ALA 16 1HB ALA 16 -19.743 1.221 -4.528 88 2HB ALA 16 2HB ALA 16 -20.770 0.368 -3.377 89 3HB ALA 16 3HB ALA 16 -21.267 0.512 -5.063 90 H ALA 17 H ALA 17 -19.969 -2.849 -6.377 91 HA ALA 17 HA ALA 17 -22.266 -4.024 -4.855 92 1HB ALA 17 1HB ALA 17 -23.323 -3.551 -6.847 93 2HB ALA 17 2HB ALA 17 -22.594 -5.089 -7.311 94 3HB ALA 17 3HB ALA 17 -21.819 -3.572 -7.768 95 H THR 18 H THR 18 -19.088 -4.407 -5.917 96 HA THR 18 HA THR 18 -19.128 -7.262 -5.142 97 HB THR 18 HB THR 18 -18.273 -6.096 -7.752 98 HG1 THR 18 HG1 THR 18 -20.245 -7.470 -7.067 99 1HG2 THR 18 1HG2 THR 18 -16.237 -7.139 -7.032 100 2HG2 THR 18 2HG2 THR 18 -17.012 -8.238 -8.173 101 3HG2 THR 18 3HG2 THR 18 -17.110 -8.554 -6.441 102 H CYS 19 H CYS 19 -17.950 -4.306 -4.512 103 HA CYS 19 HA CYS 19 -15.959 -3.479 -3.568 104 1HB CYS 19 2HB CYS 19 -16.523 -6.035 -2.393 105 2HB CYS 19 1HB CYS 19 -14.794 -5.811 -2.508 106 H LYS 20 H LYS 20 -14.900 -3.044 -5.594 107 HA LYS 20 HA LYS 20 -12.377 -4.323 -5.878 108 1HB LYS 20 2HB LYS 20 -14.598 -5.636 -7.279 109 2HB LYS 20 1HB LYS 20 -13.223 -5.256 -8.319 110 1HG LYS 20 2HG LYS 20 -11.988 -6.226 -6.046 111 2HG LYS 20 1HG LYS 20 -13.431 -7.234 -6.149 112 1HD LYS 20 2HD LYS 20 -12.858 -7.606 -8.597 113 2HD LYS 20 1HD LYS 20 -11.305 -6.837 -8.266 114 1HE LYS 20 2HE LYS 20 -10.998 -9.222 -8.039 115 2HE LYS 20 1HE LYS 20 -10.958 -8.523 -6.421 116 1HZ LYS 20 1HZ LYS 20 -12.693 -10.478 -7.423 117 2HZ LYS 20 2HZ LYS 20 -13.619 -9.098 -7.066 118 3HZ LYS 20 3HZ LYS 20 -12.652 -9.810 -5.864 119 H LEU 21 H LEU 21 -11.831 -4.035 -8.569 120 HA LEU 21 HA LEU 21 -11.880 -1.105 -8.812 121 1HB LEU 21 2HB LEU 21 -10.416 -3.349 -10.034 122 2HB LEU 21 1HB LEU 21 -10.796 -2.032 -11.143 123 HG LEU 21 HG LEU 21 -9.577 -1.494 -8.435 124 1HD1 LEU 21 1HD1 LEU 21 -8.283 -3.081 -10.178 125 2HD1 LEU 21 2HD1 LEU 21 -7.446 -1.886 -9.188 126 3HD1 LEU 21 3HD1 LEU 21 -7.858 -1.511 -10.861 127 1HD2 LEU 21 1HD2 LEU 21 -10.503 0.063 -10.661 128 2HD2 LEU 21 2HD2 LEU 21 -8.760 0.281 -10.503 129 3HD2 LEU 21 3HD2 LEU 21 -9.820 0.629 -9.138 130 H ARG 22 H ARG 22 -12.818 0.022 -10.559 131 HA ARG 22 HA ARG 22 -15.174 -1.211 -11.712 132 1HB ARG 22 2HB ARG 22 -14.671 1.340 -11.285 133 2HB ARG 22 1HB ARG 22 -13.874 1.254 -12.858 134 1HG ARG 22 2HG ARG 22 -15.850 0.832 -13.994 135 2HG ARG 22 1HG ARG 22 -16.617 0.084 -12.593 136 1HD ARG 22 2HD ARG 22 -16.687 2.350 -11.505 137 2HD ARG 22 1HD ARG 22 -16.099 3.040 -13.019 138 HE ARG 22 HE ARG 22 -18.377 1.482 -13.645 139 1HH1 ARG 22 1HH2 ARG 22 -18.587 3.178 -10.890 140 2HH1 ARG 22 2HH2 ARG 22 -19.636 4.431 -11.466 141 1HH2 ARG 22 1HH1 ARG 22 -19.268 3.566 -14.804 142 2HH2 ARG 22 2HH1 ARG 22 -20.023 4.649 -13.682 143 HA PRO 23 HA PRO 23 -12.897 -3.400 -14.815 144 1HB PRO 23 2HB PRO 23 -15.059 -3.850 -16.493 145 2HB PRO 23 1HB PRO 23 -14.673 -4.822 -15.059 146 1HG PRO 23 2HG PRO 23 -16.714 -2.625 -15.356 147 2HG PRO 23 1HG PRO 23 -16.814 -4.129 -14.418 148 1HD PRO 23 2HD PRO 23 -16.253 -1.714 -13.227 149 2HD PRO 23 1HD PRO 23 -15.612 -3.249 -12.619 150 H GLY 24 H GLY 24 -11.685 -1.543 -15.417 151 1HA GLY 24 2HA GLY 24 -11.951 -0.727 -18.135 152 2HA GLY 24 1HA GLY 24 -12.517 0.581 -17.090 153 H ALA 25 H ALA 25 -10.894 0.675 -15.013 154 HA ALA 25 HA ALA 25 -8.311 1.434 -16.131 155 1HB ALA 25 1HB ALA 25 -7.878 2.375 -13.955 156 2HB ALA 25 2HB ALA 25 -9.201 1.453 -13.242 157 3HB ALA 25 3HB ALA 25 -9.547 2.759 -14.377 158 H GLN 26 H GLN 26 -6.682 0.866 -13.878 159 HA GLN 26 HA GLN 26 -6.692 -2.108 -13.741 160 1HB GLN 26 2HB GLN 26 -4.819 -0.465 -15.171 161 2HB GLN 26 1HB GLN 26 -3.987 -1.281 -13.849 162 1HG GLN 26 2HG GLN 26 -3.862 -2.950 -15.435 163 2HG GLN 26 1HG GLN 26 -5.432 -3.349 -14.736 164 1HE2 GLN 26 1HE2 GLN 26 -3.898 -1.640 -17.484 165 2HE2 GLN 26 2HE2 GLN 26 -5.262 -1.706 -18.492 166 H CYS 27 H CYS 27 -6.848 0.638 -12.030 167 HA CYS 27 HA CYS 27 -6.121 -0.621 -9.556 168 1HB CYS 27 2HB CYS 27 -4.183 0.606 -8.923 169 2HB CYS 27 1HB CYS 27 -3.850 0.038 -10.557 170 H GLY 28 H GLY 28 -7.486 0.269 -8.079 171 1HA GLY 28 2HA GLY 28 -8.730 2.875 -8.769 172 2HA GLY 28 1HA GLY 28 -9.398 1.693 -7.647 173 H GLU 29 H GLU 29 -6.417 1.536 -6.633 174 HA GLU 29 HA GLU 29 -5.795 4.051 -5.456 175 1HB GLU 29 2HB GLU 29 -6.644 3.644 -3.153 176 2HB GLU 29 1HB GLU 29 -7.949 3.818 -4.327 177 1HG GLU 29 2HG GLU 29 -8.703 1.879 -3.389 178 2HG GLU 29 1HG GLU 29 -7.521 1.138 -4.467 179 H GLY 30 H GLY 30 -3.704 3.829 -4.829 180 1HA GLY 30 2HA GLY 30 -2.691 1.770 -3.159 181 2HA GLY 30 1HA GLY 30 -2.343 1.330 -4.831 182 H LEU 31 H LEU 31 -0.216 1.873 -3.099 183 HA LEU 31 HA LEU 31 0.645 4.584 -3.067 184 1HB LEU 31 2HB LEU 31 1.840 1.983 -2.578 185 2HB LEU 31 1HB LEU 31 2.982 3.133 -3.246 186 HG LEU 31 HG LEU 31 1.251 3.525 -0.789 187 1HD1 LEU 31 1HD1 LEU 31 4.116 2.849 -1.292 188 2HD1 LEU 31 2HD1 LEU 31 3.046 2.306 0.001 189 3HD1 LEU 31 3HD1 LEU 31 3.753 3.921 0.060 190 1HD2 LEU 31 1HD2 LEU 31 2.940 5.391 -2.433 191 2HD2 LEU 31 2HD2 LEU 31 2.810 5.644 -0.692 192 3HD2 LEU 31 3HD2 LEU 31 1.363 5.677 -1.698 193 H CYS 32 H CYS 32 0.937 2.058 -5.510 194 HA CYS 32 HA CYS 32 2.218 4.069 -7.318 195 1HB CYS 32 2HB CYS 32 2.280 1.165 -8.005 196 2HB CYS 32 1HB CYS 32 3.496 2.410 -8.281 197 H CYS 33 H CYS 33 -0.600 4.051 -6.950 198 HA CYS 33 HA CYS 33 -1.603 2.697 -9.410 199 1HB CYS 33 2HB CYS 33 -2.978 2.159 -7.533 200 2HB CYS 33 1HB CYS 33 -2.999 3.830 -6.976 201 H GLU 34 H GLU 34 -0.945 4.139 -11.017 202 HA GLU 34 HA GLU 34 -1.055 6.975 -10.880 203 1HB GLU 34 2HB GLU 34 -0.223 5.128 -12.737 204 2HB GLU 34 1HB GLU 34 -1.642 5.826 -13.510 205 1HG GLU 34 2HG GLU 34 -0.712 8.103 -13.064 206 2HG GLU 34 1HG GLU 34 0.751 7.339 -12.441 207 H GLN 35 H GLN 35 -2.632 7.981 -12.859 208 HA GLN 35 HA GLN 35 -5.206 8.136 -11.676 209 1HB GLN 35 2HB GLN 35 -4.284 8.727 -14.502 210 2HB GLN 35 1HB GLN 35 -5.900 9.107 -13.912 211 1HG GLN 35 2HG GLN 35 -5.087 10.683 -12.348 212 2HG GLN 35 1HG GLN 35 -3.439 10.060 -12.451 213 1HE2 GLN 35 1HE2 GLN 35 -2.132 10.701 -14.299 214 2HE2 GLN 35 2HE2 GLN 35 -2.618 11.944 -15.349 215 H CYS 36 H CYS 36 -5.942 5.971 -11.328 216 HA CYS 36 HA CYS 36 -6.963 3.938 -11.904 217 1HB CYS 36 2HB CYS 36 -7.893 5.874 -14.012 218 2HB CYS 36 1HB CYS 36 -8.370 4.183 -14.096 219 H LYS 37 H LYS 37 -4.296 3.906 -12.504 220 HA LYS 37 HA LYS 37 -4.226 2.062 -14.787 221 1HB LYS 37 2HB LYS 37 -3.191 4.831 -14.934 222 2HB LYS 37 1HB LYS 37 -2.065 3.585 -15.475 223 1HG LYS 37 2HG LYS 37 -4.304 2.705 -16.696 224 2HG LYS 37 1HG LYS 37 -4.661 4.432 -16.654 225 1HD LYS 37 2HD LYS 37 -3.266 4.759 -18.385 226 2HD LYS 37 1HD LYS 37 -1.930 4.131 -17.418 227 1HE LYS 37 2HE LYS 37 -3.717 2.036 -18.437 228 2HE LYS 37 1HE LYS 37 -2.909 2.950 -19.710 229 1HZ LYS 37 1HZ LYS 37 -1.811 1.093 -17.810 230 2HZ LYS 37 2HZ LYS 37 -0.937 2.546 -17.908 231 3HZ LYS 37 3HZ LYS 37 -1.194 1.610 -19.303 232 H PHE 38 H PHE 38 -2.529 0.581 -14.555 233 HA PHE 38 HA PHE 38 -1.265 0.391 -11.980 234 1HB PHE 38 2HB PHE 38 -1.024 -1.071 -14.584 235 2HB PHE 38 1HB PHE 38 0.227 -1.309 -13.366 236 HD1 PHE 38 HD1 PHE 38 -2.234 -3.094 -14.544 237 HD2 PHE 38 HD2 PHE 38 -1.371 -1.063 -10.858 238 HE1 PHE 38 HE1 PHE 38 -3.718 -4.667 -13.329 239 HE2 PHE 38 HE2 PHE 38 -2.853 -2.635 -9.644 240 HZ PHE 38 HZ PHE 38 -4.027 -4.438 -10.879 241 H SER 39 H SER 39 0.566 1.388 -11.281 242 HA SER 39 HA SER 39 2.015 3.230 -12.940 243 1HB SER 39 2HB SER 39 3.606 3.335 -11.045 244 2HB SER 39 1HB SER 39 1.939 3.449 -10.487 245 HG SER 39 HG SER 39 3.828 1.545 -10.004 246 H ARG 40 H ARG 40 4.382 2.991 -13.464 247 HA ARG 40 HA ARG 40 4.841 0.379 -14.670 248 1HB ARG 40 2HB ARG 40 6.744 1.397 -15.733 249 2HB ARG 40 1HB ARG 40 5.443 2.589 -15.763 250 1HG ARG 40 2HG ARG 40 6.384 3.609 -13.688 251 2HG ARG 40 1HG ARG 40 7.731 2.475 -13.776 252 1HD ARG 40 2HD ARG 40 7.823 3.452 -16.289 253 2HD ARG 40 1HD ARG 40 7.149 4.855 -15.460 254 HE ARG 40 HE ARG 40 9.850 3.746 -15.063 255 1HH1 ARG 40 1HH1 ARG 40 7.488 4.975 -13.037 256 2HH1 ARG 40 2HH1 ARG 40 8.416 6.324 -12.472 257 1HH2 ARG 40 1HH2 ARG 40 10.986 5.847 -14.752 258 2HH2 ARG 40 2HH2 ARG 40 10.397 6.818 -13.444 259 H ALA 41 H ALA 41 6.515 -1.070 -14.076 260 HA ALA 41 HA ALA 41 7.118 -1.327 -11.329 261 1HB ALA 41 1HB ALA 41 9.037 -2.336 -13.412 262 2HB ALA 41 2HB ALA 41 7.409 -3.012 -13.327 263 3HB ALA 41 3HB ALA 41 8.485 -3.126 -11.934 264 H GLY 42 H GLY 42 9.683 -1.498 -10.738 265 1HA GLY 42 2HA GLY 42 11.585 -0.246 -10.192 266 2HA GLY 42 1HA GLY 42 11.435 0.482 -11.790 267 H LYS 43 H LYS 43 8.640 0.759 -9.817 268 HA LYS 43 HA LYS 43 9.111 3.657 -9.588 269 1HB LYS 43 2HB LYS 43 6.910 3.166 -10.320 270 2HB LYS 43 1HB LYS 43 6.721 1.870 -9.141 271 1HG LYS 43 2HG LYS 43 5.448 3.718 -8.297 272 2HG LYS 43 1HG LYS 43 6.912 3.666 -7.329 273 1HD LYS 43 2HD LYS 43 7.655 5.655 -8.122 274 2HD LYS 43 1HD LYS 43 7.173 5.276 -9.776 275 1HE LYS 43 2HE LYS 43 5.461 6.718 -9.500 276 2HE LYS 43 1HE LYS 43 4.757 5.543 -8.390 277 1HZ LYS 43 1HZ LYS 43 5.087 7.839 -7.477 278 2HZ LYS 43 2HZ LYS 43 6.762 7.556 -7.544 279 3HZ LYS 43 3HZ LYS 43 5.773 6.589 -6.557 280 H ILE 44 H ILE 44 9.844 4.570 -7.679 281 HA ILE 44 HA ILE 44 10.224 2.800 -5.381 282 HB ILE 44 HB ILE 44 11.483 5.119 -6.328 283 1HG1 ILE 44 2HG1 ILE 44 12.429 3.130 -5.121 284 2HG1 ILE 44 1HG1 ILE 44 13.042 4.677 -4.533 285 1HG2 ILE 44 1HG2 ILE 44 9.960 6.595 -5.183 286 2HG2 ILE 44 2HG2 ILE 44 11.464 6.559 -4.260 287 3HG2 ILE 44 3HG2 ILE 44 10.066 5.638 -3.706 288 1HD1 ILE 44 1HD1 ILE 44 10.577 3.742 -3.202 289 2HD1 ILE 44 2HD1 ILE 44 12.034 4.450 -2.504 290 3HD1 ILE 44 3HD1 ILE 44 11.997 2.736 -2.916 291 H CYS 45 H CYS 45 8.443 2.279 -4.283 292 HA CYS 45 HA CYS 45 6.236 4.213 -3.898 293 1HB CYS 45 2HB CYS 45 5.183 2.264 -2.701 294 2HB CYS 45 1HB CYS 45 5.586 1.945 -4.383 295 H ARG 46 H ARG 46 8.985 2.958 -2.201 296 HA ARG 46 HA ARG 46 8.352 4.716 0.073 297 1HB ARG 46 2HB ARG 46 7.802 1.898 0.145 298 2HB ARG 46 1HB ARG 46 9.107 2.257 1.277 299 1HG ARG 46 2HG ARG 46 7.753 4.012 2.325 300 2HG ARG 46 1HG ARG 46 6.459 3.736 1.158 301 1HD ARG 46 2HD ARG 46 6.202 1.425 1.982 302 2HD ARG 46 1HD ARG 46 7.500 1.695 3.146 303 HE ARG 46 HE ARG 46 5.653 3.721 3.656 304 1HH1 ARG 46 1HH1 ARG 46 4.301 0.927 2.669 305 2HH1 ARG 46 2HH1 ARG 46 3.651 0.440 4.197 306 1HH2 ARG 46 1HH2 ARG 46 5.400 2.831 6.002 307 2HH2 ARG 46 2HH2 ARG 46 4.273 1.518 6.087 308 H ILE 47 H ILE 47 10.178 5.262 1.306 309 HA ILE 47 HA ILE 47 12.773 4.500 0.072 310 HB ILE 47 HB ILE 47 12.287 6.916 0.350 311 1HG1 ILE 47 2HG1 ILE 47 14.355 7.512 1.623 312 2HG1 ILE 47 1HG1 ILE 47 14.465 5.842 2.176 313 1HG2 ILE 47 1HG2 ILE 47 11.296 6.026 2.865 314 2HG2 ILE 47 2HG2 ILE 47 11.271 7.663 2.210 315 3HG2 ILE 47 3HG2 ILE 47 12.636 7.127 3.189 316 1HD1 ILE 47 1HD1 ILE 47 14.680 6.870 -0.662 317 2HD1 ILE 47 2HD1 ILE 47 14.462 5.162 -0.284 318 3HD1 ILE 47 3HD1 ILE 47 15.906 6.010 0.269 319 H ALA 48 H ALA 48 14.595 4.050 1.647 320 HA ALA 48 HA ALA 48 13.549 2.584 4.003 321 1HB ALA 48 1HB ALA 48 15.783 1.970 2.103 322 2HB ALA 48 2HB ALA 48 14.440 0.938 2.597 323 3HB ALA 48 3HB ALA 48 15.756 1.269 3.722 324 H ARG 49 H ARG 49 14.286 3.151 5.967 325 HA ARG 49 HA ARG 49 16.729 4.865 6.087 326 1HB ARG 49 2HB ARG 49 15.674 5.982 8.031 327 2HB ARG 49 1HB ARG 49 14.847 6.299 6.511 328 1HG ARG 49 2HG ARG 49 13.748 3.913 7.644 329 2HG ARG 49 1HG ARG 49 13.760 5.157 8.895 330 1HD ARG 49 2HD ARG 49 12.505 6.672 7.525 331 2HD ARG 49 1HD ARG 49 12.719 5.660 6.097 332 HE ARG 49 HE ARG 49 11.361 4.223 8.212 333 1HH1 ARG 49 1HH2 ARG 49 11.058 6.463 5.602 334 2HH1 ARG 49 2HH2 ARG 49 9.357 6.205 5.408 335 1HH2 ARG 49 1HH1 ARG 49 9.130 3.930 8.013 336 2HH2 ARG 49 2HH1 ARG 49 8.266 4.774 6.771 337 H GLY 50 H GLY 50 15.253 2.020 7.046 338 1HA GLY 50 2HA GLY 50 17.077 1.726 9.373 339 2HA GLY 50 1HA GLY 50 15.539 0.864 9.241 340 H ASP 51 H ASP 51 15.465 -0.991 7.925 341 HA ASP 51 HA ASP 51 17.910 -2.253 7.111 342 1HB ASP 51 2HB ASP 51 15.042 -2.712 6.810 343 2HB ASP 51 1HB ASP 51 15.962 -3.214 5.403 344 H TRP 52 H TRP 52 18.010 -2.682 4.404 345 HA TRP 52 HA TRP 52 17.119 -0.177 3.180 346 1HB TRP 52 2HB TRP 52 19.990 -0.872 3.587 347 2HB TRP 52 1HB TRP 52 19.483 0.193 2.261 348 HD1 TRP 52 HD1 TRP 52 17.405 1.998 3.238 349 HE1 TRP 52 HE1 TRP 52 17.620 3.544 5.252 350 HE3 TRP 52 HE3 TRP 52 21.086 -0.409 5.794 351 HZ2 TRP 52 HZ2 TRP 52 19.089 3.749 7.628 352 HZ3 TRP 52 HZ3 TRP 52 21.875 0.491 7.978 353 HH2 TRP 52 HH2 TRP 52 20.869 2.573 8.904 354 H ASN 53 H ASN 53 15.920 -0.906 1.726 355 HA ASN 53 HA ASN 53 16.944 -2.072 -0.702 356 1HB ASN 53 2HB ASN 53 16.379 -4.007 1.126 357 2HB ASN 53 1HB ASN 53 14.771 -3.763 0.441 358 1HD2 ASN 53 1HD2 ASN 53 14.408 -5.208 -1.244 359 2HD2 ASN 53 2HD2 ASN 53 15.577 -5.715 -2.368 360 H ASP 54 H ASP 54 15.979 -0.130 -1.480 361 HA ASP 54 HA ASP 54 13.435 0.859 -0.794 362 1HB ASP 54 2HB ASP 54 13.546 1.780 -3.269 363 2HB ASP 54 1HB ASP 54 14.683 2.365 -2.055 364 H ASP 55 H ASP 55 11.403 0.222 -1.253 365 HA ASP 55 HA ASP 55 10.959 -2.208 -2.800 366 1HB ASP 55 2HB ASP 55 9.428 -0.517 -0.967 367 2HB ASP 55 1HB ASP 55 8.466 -1.191 -2.280 368 H ARG 56 H ARG 56 10.975 -2.048 -5.010 369 HA ARG 56 HA ARG 56 9.932 0.447 -6.233 370 1HB ARG 56 2HB ARG 56 11.694 -1.746 -7.266 371 2HB ARG 56 1HB ARG 56 11.014 -0.513 -8.321 372 1HG ARG 56 2HG ARG 56 12.171 0.714 -5.974 373 2HG ARG 56 1HG ARG 56 13.363 -0.318 -6.764 374 1HD ARG 56 2HD ARG 56 12.852 0.794 -8.931 375 2HD ARG 56 1HD ARG 56 11.732 1.866 -8.092 376 HE ARG 56 HE ARG 56 13.811 2.574 -6.731 377 1HH1 ARG 56 1HH2 ARG 56 13.438 2.534 -10.051 378 2HH1 ARG 56 2HH2 ARG 56 15.106 2.812 -10.426 379 1HH2 ARG 56 1HH1 ARG 56 16.184 2.415 -7.157 380 2HH2 ARG 56 2HH1 ARG 56 16.659 2.744 -8.789 381 H CYS 57 H CYS 57 7.724 0.174 -6.438 382 HA CYS 57 HA CYS 57 6.107 -1.999 -6.724 383 1HB CYS 57 2HB CYS 57 5.651 0.080 -8.830 384 2HB CYS 57 1HB CYS 57 4.494 -0.681 -7.747 385 H THR 58 H THR 58 5.393 -3.357 -8.445 386 HA THR 58 HA THR 58 7.473 -3.869 -10.473 387 HB THR 58 HB THR 58 6.471 -5.976 -10.756 388 HG1 THR 58 HG1 THR 58 4.379 -6.236 -10.759 389 1HG2 THR 58 1HG2 THR 58 5.343 -5.945 -8.096 390 2HG2 THR 58 2HG2 THR 58 6.836 -5.008 -8.131 391 3HG2 THR 58 3HG2 THR 58 6.840 -6.691 -8.655 392 H GLY 59 H GLY 59 5.899 -4.882 -12.556 393 1HA GLY 59 2HA GLY 59 4.983 -2.374 -13.778 394 2HA GLY 59 1HA GLY 59 5.104 -3.937 -14.587 395 H GLN 60 H GLN 60 3.570 -5.029 -12.105 396 HA GLN 60 HA GLN 60 0.864 -4.054 -12.919 397 1HB GLN 60 2HB GLN 60 1.524 -6.927 -12.222 398 2HB GLN 60 1HB GLN 60 0.023 -6.303 -12.909 399 1HG GLN 60 2HG GLN 60 1.812 -5.415 -14.756 400 2HG GLN 60 1HG GLN 60 2.600 -6.906 -14.239 401 1HE2 GLN 60 1HE2 GLN 60 2.071 -8.416 -15.845 402 2HE2 GLN 60 2HE2 GLN 60 0.495 -8.723 -16.394 403 H SER 61 H SER 61 2.521 -3.275 -10.637 404 HA SER 61 HA SER 61 0.880 -4.410 -8.408 405 1HB SER 61 2HB SER 61 2.807 -4.684 -7.269 406 2HB SER 61 1HB SER 61 3.698 -4.135 -8.685 407 HG SER 61 HG SER 61 3.975 -2.900 -6.669 408 H ALA 62 H ALA 62 -0.653 -2.985 -7.734 409 HA ALA 62 HA ALA 62 -0.265 -0.101 -8.297 410 1HB ALA 62 1HB ALA 62 -2.702 -0.098 -7.290 411 2HB ALA 62 2HB ALA 62 -2.618 -1.831 -7.607 412 3HB ALA 62 3HB ALA 62 -2.428 -0.681 -8.931 413 H ASP 63 H ASP 63 0.104 -2.309 -5.727 414 HA ASP 63 HA ASP 63 -0.048 -0.082 -3.743 415 1HB ASP 63 2HB ASP 63 0.014 -3.007 -3.091 416 2HB ASP 63 1HB ASP 63 -0.459 -1.679 -2.041 417 H CYS 64 H CYS 64 1.524 -1.209 -1.740 418 HA CYS 64 HA CYS 64 4.108 -1.940 -2.956 419 1HB CYS 64 2HB CYS 64 4.270 0.463 -3.060 420 2HB CYS 64 1HB CYS 64 3.684 0.628 -1.407 421 HA PRO 65 HA PRO 65 4.228 -4.186 0.796 422 1HB PRO 65 2HB PRO 65 6.714 -5.241 0.358 423 2HB PRO 65 1HB PRO 65 5.258 -5.849 -0.428 424 1HG PRO 65 2HG PRO 65 7.487 -4.233 -1.552 425 2HG PRO 65 1HG PRO 65 6.352 -5.312 -2.382 426 1HD PRO 65 2HD PRO 65 6.232 -2.482 -2.316 427 2HD PRO 65 1HD PRO 65 4.963 -3.581 -2.899 428 H ARG 66 H ARG 66 6.735 -4.644 2.117 429 HA ARG 66 HA ARG 66 8.051 -2.089 2.560 430 1HB ARG 66 2HB ARG 66 7.438 -2.029 5.006 431 2HB ARG 66 1HB ARG 66 6.095 -1.673 3.920 432 1HG ARG 66 2HG ARG 66 6.073 -4.463 4.191 433 2HG ARG 66 1HG ARG 66 6.386 -3.854 5.816 434 1HD ARG 66 2HD ARG 66 4.403 -2.164 4.734 435 2HD ARG 66 1HD ARG 66 3.921 -3.806 4.309 436 HE ARG 66 HE ARG 66 3.951 -4.354 6.715 437 1HH1 ARG 66 1HH2 ARG 66 2.363 -1.688 6.029 438 2HH1 ARG 66 2HH2 ARG 66 2.719 -0.790 7.468 439 1HH2 ARG 66 1HH1 ARG 66 5.253 -2.923 8.491 440 2HH2 ARG 66 2HH1 ARG 66 4.354 -1.489 8.861 441 H TYR 67 H TYR 67 10.142 -2.656 2.892 442 HA TYR 67 HA TYR 67 10.678 -5.250 4.222 443 1HB TYR 67 2HB TYR 67 11.782 -3.982 1.838 444 2HB TYR 67 1HB TYR 67 13.020 -4.570 2.945 445 HD1 TYR 67 HD1 TYR 67 9.704 -5.681 1.569 446 HD2 TYR 67 HD2 TYR 67 13.705 -6.778 2.682 447 HE1 TYR 67 HE1 TYR 67 9.282 -8.001 0.798 448 HE2 TYR 67 HE2 TYR 67 13.282 -9.099 1.913 449 HH TYR 67 HH TYR 67 11.748 -10.251 0.306 450 H HIS 68 HN HIS 68 11.124 -1.847 4.343 451 HA HIS 68 HA HIS 68 13.163 -2.167 6.508 452 1HB HIS 68 2HB HIS 68 13.233 0.486 5.997 453 2HB HIS 68 1HB HIS 68 14.241 -0.674 5.134 454 HD1 HIS 68 HD1 HIS 68 13.154 -1.601 2.812 455 HD2 HIS 68 HD2 HIS 68 11.480 1.887 4.363 456 HE1 HIS 68 HE1 HIS 68 11.845 -0.534 0.924 Start of MODEL 12 1 1H GLY 1 1HT GLY 1 -9.192 -15.112 0.149 2 2H GLY 1 2HT GLY 1 -10.545 -15.429 1.129 3 3H GLY 1 3HT GLY 1 -9.650 -14.001 1.346 4 1HA GLY 1 1HA GLY 1 -10.752 -14.435 -1.312 5 2HA GLY 1 2HA GLY 1 -11.907 -14.077 -0.029 6 H LYS 2 H LYS 2 -11.993 -11.984 0.785 7 HA LYS 2 HA LYS 2 -11.618 -9.669 0.843 8 1HB LYS 2 2HB LYS 2 -9.276 -10.760 1.529 9 2HB LYS 2 1HB LYS 2 -8.775 -10.038 -0.001 10 1HG LYS 2 2HG LYS 2 -10.377 -8.125 1.388 11 2HG LYS 2 1HG LYS 2 -9.167 -8.740 2.514 12 1HD LYS 2 2HD LYS 2 -7.708 -8.416 0.193 13 2HD LYS 2 1HD LYS 2 -8.817 -7.045 0.142 14 1HE LYS 2 2HE LYS 2 -7.884 -6.049 1.974 15 2HE LYS 2 1HE LYS 2 -7.572 -7.588 2.777 16 1HZ LYS 2 1HZ LYS 2 -6.011 -6.393 0.554 17 2HZ LYS 2 2HZ LYS 2 -5.757 -7.956 1.167 18 3HZ LYS 2 3HZ LYS 2 -5.501 -6.601 2.158 19 H GLU 3 H GLU 3 -12.835 -9.075 -0.986 20 HA GLU 3 HA GLU 3 -11.265 -8.800 -3.519 21 1HB GLU 3 2HB GLU 3 -13.432 -8.973 -4.716 22 2HB GLU 3 1HB GLU 3 -13.094 -10.422 -3.769 23 1HG GLU 3 2HG GLU 3 -14.428 -8.697 -2.002 24 2HG GLU 3 1HG GLU 3 -15.303 -8.556 -3.527 25 H CYS 4 H CYS 4 -11.147 -6.807 -1.544 26 HA CYS 4 HA CYS 4 -13.017 -4.714 -2.524 27 1HB CYS 4 2HB CYS 4 -11.448 -5.081 -0.019 28 2HB CYS 4 1HB CYS 4 -11.818 -3.441 -0.539 29 H ASP 5 H ASP 5 -11.704 -4.651 -4.571 30 HA ASP 5 HA ASP 5 -9.030 -4.063 -4.893 31 1HB ASP 5 2HB ASP 5 -10.544 -4.171 -6.800 32 2HB ASP 5 1HB ASP 5 -11.357 -2.697 -6.273 33 H CYS 6 H CYS 6 -11.541 -1.856 -3.734 34 HA CYS 6 HA CYS 6 -9.424 -0.144 -2.588 35 1HB CYS 6 2HB CYS 6 -11.113 1.794 -3.583 36 2HB CYS 6 1HB CYS 6 -9.564 1.348 -4.291 37 H SER 7 H SER 7 -10.158 0.995 -0.760 38 HA SER 7 HA SER 7 -12.795 0.085 0.254 39 1HB SER 7 2HB SER 7 -11.540 1.563 2.259 40 2HB SER 7 1HB SER 7 -11.547 -0.192 2.111 41 HG SER 7 HG SER 7 -9.514 -0.088 1.622 42 H SER 8 H SER 8 -12.904 2.065 -1.775 43 HA SER 8 HA SER 8 -14.154 4.257 -0.218 44 1HB SER 8 2HB SER 8 -13.025 5.660 -2.291 45 2HB SER 8 1HB SER 8 -12.372 5.588 -0.656 46 HG SER 8 HG SER 8 -11.778 3.572 -2.531 47 HA PRO 9 HA PRO 9 -17.020 3.165 -3.504 48 1HB PRO 9 2HB PRO 9 -19.178 4.390 -2.317 49 2HB PRO 9 1HB PRO 9 -18.612 2.766 -1.885 50 1HG PRO 9 2HG PRO 9 -18.304 5.324 -0.383 51 2HG PRO 9 1HG PRO 9 -18.345 3.661 0.227 52 1HD PRO 9 2HD PRO 9 -16.020 5.234 -0.129 53 2HD PRO 9 1HD PRO 9 -16.061 3.480 0.148 54 H GLU 10 H GLU 10 -16.147 6.282 -2.241 55 HA GLU 10 HA GLU 10 -17.637 7.816 -4.241 56 1HB GLU 10 2HB GLU 10 -15.736 8.415 -2.021 57 2HB GLU 10 1HB GLU 10 -15.841 9.593 -3.330 58 1HG GLU 10 2HG GLU 10 -18.502 8.854 -2.736 59 2HG GLU 10 1HG GLU 10 -17.707 9.111 -1.181 60 H ASN 11 H ASN 11 -14.528 6.302 -3.953 61 HA ASN 11 HA ASN 11 -13.067 7.759 -5.897 62 1HB ASN 11 2HB ASN 11 -11.758 6.283 -4.655 63 2HB ASN 11 1HB ASN 11 -12.941 4.984 -4.766 64 1HD2 ASN 11 1HD2 ASN 11 -11.171 3.547 -5.517 65 2HD2 ASN 11 2HD2 ASN 11 -10.620 3.639 -7.119 66 HA PRO 12 HA PRO 12 -15.356 6.528 -9.503 67 1HB PRO 12 2HB PRO 12 -13.684 7.718 -11.331 68 2HB PRO 12 1HB PRO 12 -14.867 8.609 -10.357 69 1HG PRO 12 2HG PRO 12 -11.903 8.485 -10.060 70 2HG PRO 12 1HG PRO 12 -13.027 9.764 -9.572 71 1HD PRO 12 2HD PRO 12 -11.856 7.837 -7.858 72 2HD PRO 12 1HD PRO 12 -13.211 8.911 -7.454 73 H CYS 13 H CYS 13 -13.410 4.592 -8.381 74 HA CYS 13 HA CYS 13 -12.801 3.157 -10.882 75 1HB CYS 13 2HB CYS 13 -10.791 4.571 -9.468 76 2HB CYS 13 1HB CYS 13 -10.540 2.857 -9.145 77 H CYS 14 H CYS 14 -14.398 3.065 -8.180 78 HA CYS 14 HA CYS 14 -13.638 0.245 -7.540 79 1HB CYS 14 2HB CYS 14 -13.668 2.425 -5.798 80 2HB CYS 14 1HB CYS 14 -15.196 1.606 -5.479 81 H ASP 15 H ASP 15 -15.524 -1.037 -6.731 82 HA ASP 15 HA ASP 15 -18.114 -0.096 -7.853 83 1HB ASP 15 2HB ASP 15 -16.627 -1.892 -9.201 84 2HB ASP 15 1HB ASP 15 -17.479 -2.969 -8.102 85 H ALA 16 H ALA 16 -19.177 0.170 -5.923 86 HA ALA 16 HA ALA 16 -18.792 -1.312 -3.555 87 1HB ALA 16 1HB ALA 16 -21.571 -0.447 -4.097 88 2HB ALA 16 2HB ALA 16 -20.349 0.815 -4.250 89 3HB ALA 16 3HB ALA 16 -20.521 -0.069 -2.732 90 H ALA 17 H ALA 17 -20.395 -2.199 -6.488 91 HA ALA 17 HA ALA 17 -22.234 -4.134 -5.504 92 1HB ALA 17 1HB ALA 17 -20.837 -4.894 -7.982 93 2HB ALA 17 2HB ALA 17 -21.471 -3.248 -8.002 94 3HB ALA 17 3HB ALA 17 -22.555 -4.608 -7.704 95 H THR 18 H THR 18 -18.772 -4.365 -6.268 96 HA THR 18 HA THR 18 -18.701 -6.872 -4.662 97 HB THR 18 HB THR 18 -17.855 -8.154 -6.335 98 HG1 THR 18 HG1 THR 18 -16.421 -6.971 -7.956 99 1HG2 THR 18 1HG2 THR 18 -18.562 -5.906 -8.224 100 2HG2 THR 18 2HG2 THR 18 -19.799 -6.852 -7.395 101 3HG2 THR 18 3HG2 THR 18 -18.678 -7.645 -8.503 102 H CYS 19 H CYS 19 -17.893 -3.970 -4.269 103 HA CYS 19 HA CYS 19 -16.056 -2.794 -3.351 104 1HB CYS 19 2HB CYS 19 -16.318 -5.125 -1.995 105 2HB CYS 19 1HB CYS 19 -14.693 -5.286 -2.606 106 H LYS 20 H LYS 20 -15.789 -4.202 -6.178 107 HA LYS 20 HA LYS 20 -12.806 -3.940 -6.206 108 1HB LYS 20 2HB LYS 20 -14.541 -6.068 -7.161 109 2HB LYS 20 1HB LYS 20 -13.460 -5.479 -8.426 110 1HG LYS 20 2HG LYS 20 -11.691 -5.591 -6.418 111 2HG LYS 20 1HG LYS 20 -12.812 -6.822 -5.838 112 1HD LYS 20 2HD LYS 20 -12.614 -7.534 -8.455 113 2HD LYS 20 1HD LYS 20 -11.001 -6.874 -8.180 114 1HE LYS 20 2HE LYS 20 -10.645 -8.364 -6.303 115 2HE LYS 20 1HE LYS 20 -12.312 -8.932 -6.383 116 1HZ LYS 20 1HZ LYS 20 -10.110 -9.950 -7.727 117 2HZ LYS 20 2HZ LYS 20 -11.089 -9.216 -8.905 118 3HZ LYS 20 3HZ LYS 20 -11.730 -10.421 -7.893 119 H LEU 21 H LEU 21 -11.940 -3.431 -8.417 120 HA LEU 21 HA LEU 21 -12.534 -0.943 -9.328 121 1HB LEU 21 2HB LEU 21 -11.535 -3.372 -10.764 122 2HB LEU 21 1HB LEU 21 -11.869 -1.910 -11.693 123 HG LEU 21 HG LEU 21 -10.112 -1.992 -9.228 124 1HD1 LEU 21 1HD1 LEU 21 -8.464 -1.399 -11.318 125 2HD1 LEU 21 2HD1 LEU 21 -9.575 -2.533 -12.086 126 3HD1 LEU 21 3HD1 LEU 21 -8.663 -3.022 -10.657 127 1HD2 LEU 21 1HD2 LEU 21 -10.266 0.246 -9.339 128 2HD2 LEU 21 2HD2 LEU 21 -11.329 0.122 -10.741 129 3HD2 LEU 21 3HD2 LEU 21 -9.580 0.196 -10.962 130 H ARG 22 H ARG 22 -14.224 0.058 -10.267 131 HA ARG 22 HA ARG 22 -16.524 -1.556 -11.135 132 1HB ARG 22 2HB ARG 22 -17.424 0.253 -10.073 133 2HB ARG 22 1HB ARG 22 -16.036 1.278 -10.411 134 1HG ARG 22 2HG ARG 22 -16.872 1.959 -12.468 135 2HG ARG 22 1HG ARG 22 -17.808 0.482 -12.693 136 1HD ARG 22 2HD ARG 22 -18.856 1.675 -10.373 137 2HD ARG 22 1HD ARG 22 -18.631 2.999 -11.516 138 HE ARG 22 HE ARG 22 -20.785 1.301 -11.693 139 1HH1 ARG 22 1HH1 ARG 22 -20.033 3.300 -13.846 140 2HH1 ARG 22 2HH1 ARG 22 -19.901 2.273 -15.235 141 1HH2 ARG 22 1HH2 ARG 22 -19.742 -0.656 -13.390 142 2HH2 ARG 22 2HH2 ARG 22 -19.738 0.036 -14.978 143 HA PRO 23 HA PRO 23 -15.397 0.499 -15.289 144 1HB PRO 23 2HB PRO 23 -13.120 2.031 -15.400 145 2HB PRO 23 1HB PRO 23 -14.717 2.681 -14.987 146 1HG PRO 23 2HG PRO 23 -12.389 2.157 -13.208 147 2HG PRO 23 1HG PRO 23 -13.730 3.294 -12.995 148 1HD PRO 23 2HD PRO 23 -13.444 0.762 -11.732 149 2HD PRO 23 1HD PRO 23 -14.890 1.794 -11.716 150 H GLY 24 H GLY 24 -13.128 0.544 -16.813 151 1HA GLY 24 2HA GLY 24 -12.029 -2.171 -16.387 152 2HA GLY 24 1HA GLY 24 -11.881 -1.219 -17.864 153 H ALA 25 H ALA 25 -11.249 0.430 -14.908 154 HA ALA 25 HA ALA 25 -8.613 1.186 -15.637 155 1HB ALA 25 1HB ALA 25 -9.835 2.483 -14.009 156 2HB ALA 25 2HB ALA 25 -8.401 1.837 -13.213 157 3HB ALA 25 3HB ALA 25 -9.974 1.092 -12.934 158 H GLN 26 H GLN 26 -6.681 0.657 -14.083 159 HA GLN 26 HA GLN 26 -6.545 -2.310 -13.893 160 1HB GLN 26 2HB GLN 26 -4.682 -0.222 -14.688 161 2HB GLN 26 1HB GLN 26 -3.977 -1.338 -13.518 162 1HG GLN 26 2HG GLN 26 -3.556 -2.488 -15.491 163 2HG GLN 26 1HG GLN 26 -5.134 -3.152 -15.064 164 1HE2 GLN 26 1HE2 GLN 26 -3.412 -1.487 -17.523 165 2HE2 GLN 26 2HE2 GLN 26 -4.746 -1.044 -18.475 166 H CYS 27 H CYS 27 -7.058 0.336 -11.954 167 HA CYS 27 HA CYS 27 -6.902 -1.112 -9.522 168 1HB CYS 27 2HB CYS 27 -4.942 -0.029 -8.472 169 2HB CYS 27 1HB CYS 27 -4.467 -1.003 -9.863 170 H GLY 28 H GLY 28 -7.463 0.253 -7.671 171 1HA GLY 28 2HA GLY 28 -8.674 2.837 -8.558 172 2HA GLY 28 1HA GLY 28 -9.280 1.859 -7.221 173 H GLU 29 H GLU 29 -6.356 1.386 -6.437 174 HA GLU 29 HA GLU 29 -5.132 3.861 -5.761 175 1HB GLU 29 2HB GLU 29 -5.839 4.255 -3.517 176 2HB GLU 29 1HB GLU 29 -7.324 4.016 -4.437 177 1HG GLU 29 2HG GLU 29 -7.773 2.555 -2.725 178 2HG GLU 29 1HG GLU 29 -6.841 1.460 -3.746 179 H GLY 30 H GLY 30 -3.103 3.417 -4.899 180 1HA GLY 30 2HA GLY 30 -2.560 1.066 -3.319 181 2HA GLY 30 1HA GLY 30 -2.006 0.861 -4.978 182 H LEU 31 H LEU 31 0.113 0.754 -3.623 183 HA LEU 31 HA LEU 31 1.148 3.293 -2.638 184 1HB LEU 31 2HB LEU 31 1.880 0.580 -2.424 185 2HB LEU 31 1HB LEU 31 3.219 1.404 -3.205 186 HG LEU 31 HG LEU 31 3.391 1.451 -0.718 187 1HD1 LEU 31 1HD1 LEU 31 4.004 3.764 -0.590 188 2HD1 LEU 31 2HD1 LEU 31 2.834 4.211 -1.831 189 3HD1 LEU 31 3HD1 LEU 31 4.270 3.285 -2.266 190 1HD2 LEU 31 1HD2 LEU 31 0.629 2.171 -0.997 191 2HD2 LEU 31 2HD2 LEU 31 1.471 3.495 -0.192 192 3HD2 LEU 31 3HD2 LEU 31 1.533 1.869 0.488 193 H CYS 32 H CYS 32 0.948 1.770 -5.709 194 HA CYS 32 HA CYS 32 2.481 3.999 -6.880 195 1HB CYS 32 2HB CYS 32 3.715 2.224 -8.334 196 2HB CYS 32 1HB CYS 32 4.311 2.550 -6.707 197 H CYS 33 H CYS 33 0.058 4.240 -7.441 198 HA CYS 33 HA CYS 33 -0.367 2.893 -10.068 199 1HB CYS 33 2HB CYS 33 -1.929 2.429 -7.734 200 2HB CYS 33 1HB CYS 33 -2.919 3.371 -8.852 201 H GLU 34 H GLU 34 -0.845 4.340 -11.638 202 HA GLU 34 HA GLU 34 -1.102 7.167 -10.947 203 1HB GLU 34 2HB GLU 34 -1.663 6.469 -13.729 204 2HB GLU 34 1HB GLU 34 -0.478 7.589 -13.076 205 1HG GLU 34 2HG GLU 34 -0.182 4.578 -13.292 206 2HG GLU 34 1HG GLU 34 0.686 5.791 -14.225 207 H GLN 35 H GLN 35 -2.887 8.012 -12.984 208 HA GLN 35 HA GLN 35 -5.363 7.926 -11.623 209 1HB GLN 35 2HB GLN 35 -4.601 8.622 -14.457 210 2HB GLN 35 1HB GLN 35 -6.281 8.674 -13.925 211 1HG GLN 35 2HG GLN 35 -5.192 10.046 -11.901 212 2HG GLN 35 1HG GLN 35 -3.989 10.412 -13.139 213 1HE2 GLN 35 1HE2 GLN 35 -5.259 10.882 -15.425 214 2HE2 GLN 35 2HE2 GLN 35 -6.507 12.023 -15.274 215 H CYS 36 H CYS 36 -5.864 5.711 -11.181 216 HA CYS 36 HA CYS 36 -6.785 3.600 -11.643 217 1HB CYS 36 2HB CYS 36 -7.960 5.350 -13.810 218 2HB CYS 36 1HB CYS 36 -8.426 3.665 -13.611 219 H LYS 37 H LYS 37 -4.155 3.834 -12.520 220 HA LYS 37 HA LYS 37 -4.168 1.920 -14.766 221 1HB LYS 37 2HB LYS 37 -2.935 4.670 -14.898 222 2HB LYS 37 1HB LYS 37 -2.274 3.337 -15.844 223 1HG LYS 37 2HG LYS 37 -5.161 4.268 -15.921 224 2HG LYS 37 1HG LYS 37 -3.942 4.634 -17.142 225 1HD LYS 37 2HD LYS 37 -3.676 1.946 -17.034 226 2HD LYS 37 1HD LYS 37 -5.382 2.092 -16.610 227 1HE LYS 37 2HE LYS 37 -5.969 2.841 -18.686 228 2HE LYS 37 1HE LYS 37 -4.486 3.776 -18.878 229 1HZ LYS 37 1HZ LYS 37 -4.895 1.616 -20.262 230 2HZ LYS 37 2HZ LYS 37 -4.312 0.849 -18.861 231 3HZ LYS 37 3HZ LYS 37 -3.347 1.986 -19.675 232 H PHE 38 H PHE 38 -2.723 0.335 -14.239 233 HA PHE 38 HA PHE 38 -1.182 0.288 -11.900 234 1HB PHE 38 2HB PHE 38 -0.989 -1.186 -14.507 235 2HB PHE 38 1HB PHE 38 0.293 -1.382 -13.316 236 HD1 PHE 38 HD1 PHE 38 -1.177 -1.190 -10.770 237 HD2 PHE 38 HD2 PHE 38 -2.224 -3.193 -14.422 238 HE1 PHE 38 HE1 PHE 38 -2.589 -2.778 -9.494 239 HE2 PHE 38 HE2 PHE 38 -3.639 -4.780 -13.147 240 HZ PHE 38 HZ PHE 38 -3.823 -4.572 -10.682 241 H SER 39 H SER 39 0.646 1.372 -11.298 242 HA SER 39 HA SER 39 1.958 3.216 -13.050 243 1HB SER 39 2HB SER 39 2.930 1.988 -10.479 244 2HB SER 39 1HB SER 39 3.694 3.347 -11.282 245 HG SER 39 HG SER 39 2.303 4.196 -9.794 246 H ARG 40 H ARG 40 4.562 2.906 -13.206 247 HA ARG 40 HA ARG 40 4.871 0.325 -14.602 248 1HB ARG 40 2HB ARG 40 5.647 2.971 -15.225 249 2HB ARG 40 1HB ARG 40 7.128 2.061 -14.929 250 1HG ARG 40 2HG ARG 40 6.927 1.120 -16.959 251 2HG ARG 40 1HG ARG 40 5.421 0.370 -16.432 252 1HD ARG 40 2HD ARG 40 4.708 3.019 -16.930 253 2HD ARG 40 1HD ARG 40 5.825 2.625 -18.238 254 HE ARG 40 HE ARG 40 4.278 0.972 -19.019 255 1HH1 ARG 40 1HH1 ARG 40 2.677 3.308 -17.421 256 2HH1 ARG 40 2HH1 ARG 40 1.355 2.339 -16.862 257 1HH2 ARG 40 1HH2 ARG 40 2.852 -0.669 -17.718 258 2HH2 ARG 40 2HH2 ARG 40 1.452 0.087 -17.033 259 H ALA 41 H ALA 41 6.797 -0.962 -14.205 260 HA ALA 41 HA ALA 41 7.478 -1.279 -11.488 261 1HB ALA 41 1HB ALA 41 9.692 -2.263 -12.803 262 2HB ALA 41 2HB ALA 41 8.457 -2.318 -14.061 263 3HB ALA 41 3HB ALA 41 8.200 -3.164 -12.536 264 H GLY 42 H GLY 42 10.233 -1.246 -11.180 265 1HA GLY 42 2HA GLY 42 11.881 0.316 -10.520 266 2HA GLY 42 1HA GLY 42 11.605 1.027 -12.108 267 H LYS 43 H LYS 43 9.015 0.699 -9.770 268 HA LYS 43 HA LYS 43 8.946 3.668 -9.605 269 1HB LYS 43 2HB LYS 43 6.901 3.075 -10.507 270 2HB LYS 43 1HB LYS 43 6.858 1.533 -9.662 271 1HG LYS 43 2HG LYS 43 5.683 2.418 -7.959 272 2HG LYS 43 1HG LYS 43 6.804 3.759 -7.788 273 1HD LYS 43 2HD LYS 43 5.162 3.960 -10.204 274 2HD LYS 43 1HD LYS 43 4.210 3.968 -8.719 275 1HE LYS 43 2HE LYS 43 5.020 6.250 -9.515 276 2HE LYS 43 1HE LYS 43 5.412 5.841 -7.845 277 1HZ LYS 43 1HZ LYS 43 7.278 5.276 -10.067 278 2HZ LYS 43 2HZ LYS 43 7.609 5.360 -8.402 279 3HZ LYS 43 3HZ LYS 43 7.266 6.775 -9.275 280 H ILE 44 H ILE 44 9.297 4.620 -7.641 281 HA ILE 44 HA ILE 44 10.013 2.942 -5.377 282 HB ILE 44 HB ILE 44 11.206 5.028 -5.777 283 1HG1 ILE 44 2HG1 ILE 44 10.667 6.158 -3.492 284 2HG1 ILE 44 1HG1 ILE 44 9.519 4.835 -3.281 285 1HG2 ILE 44 1HG2 ILE 44 9.238 6.923 -4.925 286 2HG2 ILE 44 2HG2 ILE 44 8.565 5.985 -6.259 287 3HG2 ILE 44 3HG2 ILE 44 10.088 6.849 -6.468 288 1HD1 ILE 44 1HD1 ILE 44 12.299 4.157 -4.146 289 2HD1 ILE 44 2HD1 ILE 44 11.179 3.230 -3.150 290 3HD1 ILE 44 3HD1 ILE 44 12.040 4.605 -2.460 291 H CYS 45 H CYS 45 8.542 2.055 -4.067 292 HA CYS 45 HA CYS 45 5.907 3.396 -3.712 293 1HB CYS 45 2HB CYS 45 5.295 1.188 -2.623 294 2HB CYS 45 1HB CYS 45 5.677 1.093 -4.339 295 H ARG 46 H ARG 46 8.911 2.782 -2.100 296 HA ARG 46 HA ARG 46 7.943 4.249 0.229 297 1HB ARG 46 2HB ARG 46 7.812 1.406 0.259 298 2HB ARG 46 1HB ARG 46 9.130 1.884 1.329 299 1HG ARG 46 2HG ARG 46 6.882 3.653 1.706 300 2HG ARG 46 1HG ARG 46 6.360 1.978 1.884 301 1HD ARG 46 2HD ARG 46 8.613 1.808 3.301 302 2HD ARG 46 1HD ARG 46 8.321 3.534 3.513 303 HE ARG 46 HE ARG 46 6.466 3.000 4.877 304 1HH1 ARG 46 1HH1 ARG 46 7.933 0.482 5.594 305 2HH1 ARG 46 2HH1 ARG 46 6.740 -0.733 5.278 306 1HH2 ARG 46 1HH2 ARG 46 4.742 1.355 3.360 307 2HH2 ARG 46 2HH2 ARG 46 4.932 -0.238 4.011 308 H ILE 47 H ILE 47 9.916 3.678 2.029 309 HA ILE 47 HA ILE 47 12.456 4.139 0.535 310 HB ILE 47 HB ILE 47 11.731 6.330 1.149 311 1HG1 ILE 47 2HG1 ILE 47 13.587 5.339 3.336 312 2HG1 ILE 47 1HG1 ILE 47 14.094 5.819 1.714 313 1HG2 ILE 47 1HG2 ILE 47 11.140 5.133 3.874 314 2HG2 ILE 47 2HG2 ILE 47 9.953 5.699 2.699 315 3HG2 ILE 47 3HG2 ILE 47 11.031 6.850 3.486 316 1HD1 ILE 47 1HD1 ILE 47 14.430 7.747 3.072 317 2HD1 ILE 47 2HD1 ILE 47 12.866 7.550 3.864 318 3HD1 ILE 47 3HD1 ILE 47 12.942 8.056 2.177 319 H ALA 48 H ALA 48 14.276 3.261 1.543 320 HA ALA 48 HA ALA 48 13.735 1.359 3.705 321 1HB ALA 48 1HB ALA 48 16.014 1.830 1.800 322 2HB ALA 48 2HB ALA 48 15.024 0.387 1.997 323 3HB ALA 48 3HB ALA 48 16.231 0.795 3.212 324 H ARG 49 H ARG 49 15.958 1.224 5.198 325 HA ARG 49 HA ARG 49 15.823 3.423 7.001 326 1HB ARG 49 2HB ARG 49 18.047 1.454 6.697 327 2HB ARG 49 1HB ARG 49 17.686 2.386 8.141 328 1HG ARG 49 2HG ARG 49 16.038 0.182 6.881 329 2HG ARG 49 1HG ARG 49 16.742 0.214 8.497 330 1HD ARG 49 2HD ARG 49 15.245 2.023 9.159 331 2HD ARG 49 1HD ARG 49 14.594 2.120 7.522 332 HE ARG 49 HE ARG 49 13.764 0.236 9.530 333 1HH1 ARG 49 1HH2 ARG 49 14.353 0.711 6.162 334 2HH1 ARG 49 2HH2 ARG 49 13.349 -0.610 5.667 335 1HH2 ARG 49 1HH1 ARG 49 12.510 -1.537 8.901 336 2HH2 ARG 49 2HH1 ARG 49 12.305 -1.882 7.216 337 H GLY 50 H GLY 50 19.003 2.600 5.769 338 1HA GLY 50 2HA GLY 50 19.314 5.155 4.414 339 2HA GLY 50 1HA GLY 50 20.277 4.968 5.877 340 H ASP 51 H ASP 51 20.201 4.382 2.547 341 HA ASP 51 HA ASP 51 21.954 3.546 1.191 342 1HB ASP 51 2HB ASP 51 23.171 3.606 3.694 343 2HB ASP 51 1HB ASP 51 23.338 1.939 3.146 344 H TRP 52 H TRP 52 20.843 2.087 0.001 345 HA TRP 52 HA TRP 52 21.222 -0.648 0.076 346 1HB TRP 52 2HB TRP 52 18.728 -1.208 0.948 347 2HB TRP 52 1HB TRP 52 20.130 -1.232 2.003 348 HD1 TRP 52 HD1 TRP 52 18.959 -0.494 4.152 349 HE1 TRP 52 HE1 TRP 52 17.869 1.680 4.927 350 HE3 TRP 52 HE3 TRP 52 18.615 2.027 -0.285 351 HZ2 TRP 52 HZ2 TRP 52 16.972 4.168 3.828 352 HZ3 TRP 52 HZ3 TRP 52 17.653 4.289 -0.372 353 HH2 TRP 52 HH2 TRP 52 16.831 5.353 1.710 354 H ASN 53 H ASN 53 18.693 -1.667 -0.737 355 HA ASN 53 HA ASN 53 18.356 -0.168 -3.269 356 1HB ASN 53 2HB ASN 53 17.877 -2.956 -2.348 357 2HB ASN 53 1HB ASN 53 16.729 -2.326 -3.530 358 1HD2 ASN 53 1HD2 ASN 53 18.939 -4.381 -3.895 359 2HD2 ASN 53 2HD2 ASN 53 19.892 -3.772 -5.160 360 H ASP 54 H ASP 54 16.762 1.363 -3.263 361 HA ASP 54 HA ASP 54 14.824 1.680 -1.206 362 1HB ASP 54 2HB ASP 54 13.658 3.180 -2.843 363 2HB ASP 54 1HB ASP 54 15.378 3.531 -2.681 364 H ASP 55 H ASP 55 12.406 1.593 -1.606 365 HA ASP 55 HA ASP 55 11.695 -1.111 -2.444 366 1HB ASP 55 2HB ASP 55 10.682 0.638 -0.596 367 2HB ASP 55 1HB ASP 55 9.529 0.793 -1.916 368 H ARG 56 H ARG 56 10.955 -1.653 -4.454 369 HA ARG 56 HA ARG 56 10.146 0.574 -6.272 370 1HB ARG 56 2HB ARG 56 12.293 -1.072 -6.585 371 2HB ARG 56 1HB ARG 56 11.053 -1.967 -7.461 372 1HG ARG 56 2HG ARG 56 11.115 -0.511 -9.156 373 2HG ARG 56 1HG ARG 56 10.865 0.851 -8.064 374 1HD ARG 56 2HD ARG 56 13.031 1.036 -9.273 375 2HD ARG 56 1HD ARG 56 13.258 0.897 -7.530 376 HE ARG 56 HE ARG 56 13.343 -1.723 -8.597 377 1HH1 ARG 56 1HH1 ARG 56 15.319 0.604 -7.363 378 2HH1 ARG 56 2HH1 ARG 56 16.739 0.163 -8.253 379 1HH2 ARG 56 1HH2 ARG 56 15.060 -2.027 -10.353 380 2HH2 ARG 56 2HH2 ARG 56 16.592 -1.326 -9.947 381 H CYS 57 H CYS 57 8.623 -0.120 -7.990 382 HA CYS 57 HA CYS 57 6.771 -2.243 -7.005 383 1HB CYS 57 2HB CYS 57 6.300 0.414 -8.320 384 2HB CYS 57 1HB CYS 57 5.178 -0.900 -8.662 385 H THR 58 H THR 58 5.693 -3.428 -8.843 386 HA THR 58 HA THR 58 7.700 -3.989 -10.934 387 HB THR 58 HB THR 58 6.495 -5.998 -11.338 388 HG1 THR 58 HG1 THR 58 4.392 -4.515 -10.252 389 1HG2 THR 58 1HG2 THR 58 5.861 -5.664 -8.430 390 2HG2 THR 58 2HG2 THR 58 7.542 -5.555 -8.951 391 3HG2 THR 58 3HG2 THR 58 6.617 -7.024 -9.261 392 H GLY 59 H GLY 59 5.914 -4.893 -12.954 393 1HA GLY 59 1HA GLY 59 5.079 -2.265 -14.034 394 2HA GLY 59 2HA GLY 59 5.284 -3.743 -14.973 395 H GLN 60 H GLN 60 3.701 -4.981 -12.513 396 HA GLN 60 HA GLN 60 0.995 -4.055 -13.356 397 1HB GLN 60 2HB GLN 60 1.517 -6.980 -12.912 398 2HB GLN 60 1HB GLN 60 0.235 -6.209 -13.847 399 1HG GLN 60 2HG GLN 60 1.884 -5.499 -15.536 400 2HG GLN 60 1HG GLN 60 3.172 -6.259 -14.601 401 1HE2 GLN 60 1HE2 GLN 60 0.055 -7.064 -16.216 402 2HE2 GLN 60 2HE2 GLN 60 0.494 -8.659 -16.599 403 H SER 61 H SER 61 2.719 -3.713 -10.902 404 HA SER 61 HA SER 61 0.756 -4.865 -8.960 405 1HB SER 61 2HB SER 61 3.006 -6.015 -8.908 406 2HB SER 61 1HB SER 61 3.713 -4.477 -8.425 407 HG SER 61 HG SER 61 3.090 -5.931 -6.675 408 H ALA 62 H ALA 62 -0.301 -3.235 -7.954 409 HA ALA 62 HA ALA 62 0.930 -0.540 -7.908 410 1HB ALA 62 1HB ALA 62 -1.615 -1.273 -8.445 411 2HB ALA 62 2HB ALA 62 -1.198 0.297 -7.763 412 3HB ALA 62 3HB ALA 62 -1.751 -1.002 -6.708 413 H ASP 63 H ASP 63 0.232 -3.219 -5.810 414 HA ASP 63 HA ASP 63 0.439 -1.643 -3.356 415 1HB ASP 63 2HB ASP 63 0.867 -4.572 -3.314 416 2HB ASP 63 1HB ASP 63 -0.091 -3.566 -2.237 417 H CYS 64 H CYS 64 2.183 -2.300 -1.720 418 HA CYS 64 HA CYS 64 4.748 -2.955 -3.082 419 1HB CYS 64 2HB CYS 64 4.647 -0.521 -2.946 420 2HB CYS 64 1HB CYS 64 4.260 -0.608 -1.228 421 HA PRO 65 HA PRO 65 4.875 -5.567 0.471 422 1HB PRO 65 2HB PRO 65 7.119 -6.892 -0.365 423 2HB PRO 65 1HB PRO 65 5.501 -7.259 -0.962 424 1HG PRO 65 2HG PRO 65 7.753 -5.869 -2.318 425 2HG PRO 65 1HG PRO 65 6.373 -6.727 -3.027 426 1HD PRO 65 2HD PRO 65 6.664 -3.916 -2.793 427 2HD PRO 65 1HD PRO 65 5.188 -4.792 -3.250 428 H ARG 66 H ARG 66 7.373 -6.449 1.451 429 HA ARG 66 HA ARG 66 9.018 -4.066 1.925 430 1HB ARG 66 2HB ARG 66 7.877 -5.573 4.283 431 2HB ARG 66 1HB ARG 66 8.754 -4.042 4.296 432 1HG ARG 66 2HG ARG 66 6.920 -2.926 3.146 433 2HG ARG 66 1HG ARG 66 6.057 -4.455 2.974 434 1HD ARG 66 2HD ARG 66 6.750 -3.082 5.586 435 2HD ARG 66 1HD ARG 66 5.143 -3.203 4.868 436 HE ARG 66 HE ARG 66 6.690 -5.547 5.898 437 1HH1 ARG 66 1HH2 ARG 66 4.452 -4.436 7.536 438 2HH1 ARG 66 2HH2 ARG 66 3.118 -5.434 7.059 439 1HH2 ARG 66 1HH1 ARG 66 4.678 -6.614 4.198 440 2HH2 ARG 66 2HH1 ARG 66 3.246 -6.665 5.171 441 H TYR 67 H TYR 67 11.149 -4.638 2.284 442 HA TYR 67 HA TYR 67 11.897 -7.221 3.347 443 1HB TYR 67 2HB TYR 67 13.199 -7.781 1.158 444 2HB TYR 67 1HB TYR 67 11.476 -8.152 1.228 445 HD1 TYR 67 HD1 TYR 67 14.057 -6.132 -0.346 446 HD2 TYR 67 HD2 TYR 67 9.817 -6.578 0.187 447 HE1 TYR 67 HE1 TYR 67 13.656 -4.645 -2.290 448 HE2 TYR 67 HE2 TYR 67 9.418 -5.091 -1.758 449 HH TYR 67 HH TYR 67 10.738 -4.421 -3.859 450 H HIS 68 HN HIS 68 12.444 -4.334 3.739 451 HA HIS 68 HA HIS 68 15.385 -4.335 3.195 452 1HB HIS 68 2HB HIS 68 13.565 -1.974 3.770 453 2HB HIS 68 1HB HIS 68 15.284 -1.891 3.387 454 HD1 HIS 68 HD1 HIS 68 12.005 -3.012 1.818 455 HD2 HIS 68 HD2 HIS 68 15.850 -1.886 0.665 456 HE1 HIS 68 HE1 HIS 68 11.984 -2.876 -0.711 Start of MODEL 13 1 1H GLY 1 1HT GLY 1 -17.432 -14.429 -1.192 2 2H GLY 1 2HT GLY 1 -16.582 -15.881 -0.952 3 3H GLY 1 3HT GLY 1 -16.880 -15.318 -2.527 4 1HA GLY 1 1HA GLY 1 -14.809 -14.572 -0.655 5 2HA GLY 1 2HA GLY 1 -14.817 -14.495 -2.418 6 H LYS 2 H LYS 2 -13.822 -12.364 -0.872 7 HA LYS 2 HA LYS 2 -15.712 -10.314 -0.296 8 1HB LYS 2 2HB LYS 2 -13.841 -8.788 -0.349 9 2HB LYS 2 1HB LYS 2 -13.264 -10.309 0.334 10 1HG LYS 2 2HG LYS 2 -11.677 -10.347 -1.261 11 2HG LYS 2 1HG LYS 2 -12.959 -10.577 -2.451 12 1HD LYS 2 2HD LYS 2 -13.054 -7.848 -1.880 13 2HD LYS 2 1HD LYS 2 -11.330 -8.216 -1.929 14 1HE LYS 2 2HE LYS 2 -13.183 -9.235 -4.076 15 2HE LYS 2 1HE LYS 2 -12.506 -7.608 -4.162 16 1HZ LYS 2 1HZ LYS 2 -11.285 -9.969 -4.911 17 2HZ LYS 2 2HZ LYS 2 -10.495 -9.481 -3.487 18 3HZ LYS 2 3HZ LYS 2 -10.574 -8.431 -4.821 19 H GLU 3 H GLU 3 -16.583 -8.663 -1.595 20 HA GLU 3 HA GLU 3 -15.970 -8.802 -4.513 21 1HB GLU 3 2HB GLU 3 -18.425 -8.479 -4.946 22 2HB GLU 3 1HB GLU 3 -18.035 -10.041 -4.225 23 1HG GLU 3 2HG GLU 3 -19.250 -9.588 -2.379 24 2HG GLU 3 1HG GLU 3 -18.491 -8.007 -2.191 25 H CYS 4 H CYS 4 -14.839 -6.889 -2.879 26 HA CYS 4 HA CYS 4 -16.173 -4.458 -3.884 27 1HB CYS 4 2HB CYS 4 -16.934 -4.884 -1.509 28 2HB CYS 4 1HB CYS 4 -15.273 -4.605 -1.045 29 H ASP 5 H ASP 5 -14.212 -4.972 -5.276 30 HA ASP 5 HA ASP 5 -11.566 -4.922 -4.703 31 1HB ASP 5 2HB ASP 5 -12.697 -4.631 -6.991 32 2HB ASP 5 1HB ASP 5 -12.641 -2.897 -6.661 33 H CYS 6 H CYS 6 -13.748 -2.168 -4.297 34 HA CYS 6 HA CYS 6 -11.756 -0.951 -2.496 35 1HB CYS 6 2HB CYS 6 -11.053 0.641 -3.919 36 2HB CYS 6 1HB CYS 6 -12.007 -0.100 -5.192 37 H SER 7 H SER 7 -12.731 0.353 -0.909 38 HA SER 7 HA SER 7 -15.704 0.208 -0.862 39 1HB SER 7 2HB SER 7 -15.450 0.744 1.555 40 2HB SER 7 1HB SER 7 -14.559 -0.706 1.104 41 HG SER 7 HG SER 7 -13.643 1.539 2.194 42 H SER 8 H SER 8 -13.350 2.348 -1.793 43 HA SER 8 HA SER 8 -14.526 4.776 -0.650 44 1HB SER 8 2HB SER 8 -12.906 5.690 -2.615 45 2HB SER 8 1HB SER 8 -12.317 5.235 -1.019 46 HG SER 8 HG SER 8 -11.400 3.528 -1.854 47 HA PRO 9 HA PRO 9 -17.498 4.929 -3.992 48 1HB PRO 9 2HB PRO 9 -18.829 7.133 -3.029 49 2HB PRO 9 1HB PRO 9 -19.086 5.489 -2.419 50 1HG PRO 9 2HG PRO 9 -17.614 7.753 -1.152 51 2HG PRO 9 1HG PRO 9 -18.425 6.375 -0.390 52 1HD PRO 9 2HD PRO 9 -15.636 6.642 -0.786 53 2HD PRO 9 1HD PRO 9 -16.489 5.148 -0.340 54 H GLU 10 H GLU 10 -15.555 7.665 -2.852 55 HA GLU 10 HA GLU 10 -16.056 9.263 -5.252 56 1HB GLU 10 2HB GLU 10 -15.429 10.143 -2.909 57 2HB GLU 10 1HB GLU 10 -13.781 9.653 -3.302 58 1HG GLU 10 2HG GLU 10 -14.903 11.100 -5.526 59 2HG GLU 10 1HG GLU 10 -15.087 12.052 -4.053 60 H ASN 11 H ASN 11 -13.808 6.815 -4.253 61 HA ASN 11 HA ASN 11 -11.634 7.385 -5.988 62 1HB ASN 11 2HB ASN 11 -11.784 5.637 -4.112 63 2HB ASN 11 1HB ASN 11 -12.569 4.600 -5.301 64 1HD2 ASN 11 1HD2 ASN 11 -10.047 3.865 -4.205 65 2HD2 ASN 11 2HD2 ASN 11 -8.869 3.976 -5.423 66 HA PRO 12 HA PRO 12 -13.816 6.493 -9.803 67 1HB PRO 12 2HB PRO 12 -11.782 7.346 -11.441 68 2HB PRO 12 1HB PRO 12 -12.920 8.446 -10.643 69 1HG PRO 12 2HG PRO 12 -10.064 7.905 -9.989 70 2HG PRO 12 1HG PRO 12 -11.035 9.349 -9.662 71 1HD PRO 12 2HD PRO 12 -10.368 7.321 -7.791 72 2HD PRO 12 1HD PRO 12 -11.563 8.614 -7.558 73 H CYS 13 H CYS 13 -11.459 4.779 -8.343 74 HA CYS 13 HA CYS 13 -10.783 3.118 -10.733 75 1HB CYS 13 2HB CYS 13 -9.585 2.907 -7.967 76 2HB CYS 13 1HB CYS 13 -8.939 2.269 -9.473 77 H CYS 14 H CYS 14 -13.400 3.087 -9.188 78 HA CYS 14 HA CYS 14 -13.682 0.217 -9.116 79 1HB CYS 14 2HB CYS 14 -14.276 0.239 -6.582 80 2HB CYS 14 1HB CYS 14 -12.573 0.180 -7.043 81 H ASP 15 H ASP 15 -15.803 -0.232 -9.470 82 HA ASP 15 HA ASP 15 -17.760 1.803 -9.775 83 1HB ASP 15 2HB ASP 15 -17.712 -0.662 -10.644 84 2HB ASP 15 1HB ASP 15 -18.516 -1.007 -9.118 85 H ALA 16 H ALA 16 -19.084 2.786 -8.303 86 HA ALA 16 HA ALA 16 -18.842 1.939 -5.489 87 1HB ALA 16 1HB ALA 16 -18.469 4.358 -6.306 88 2HB ALA 16 2HB ALA 16 -19.496 4.132 -4.890 89 3HB ALA 16 3HB ALA 16 -20.224 4.431 -6.469 90 H ALA 17 H ALA 17 -20.666 0.749 -7.702 91 HA ALA 17 HA ALA 17 -23.191 0.967 -6.105 92 1HB ALA 17 1HB ALA 17 -23.030 1.855 -8.621 93 2HB ALA 17 2HB ALA 17 -24.473 1.032 -8.029 94 3HB ALA 17 3HB ALA 17 -23.281 0.147 -8.980 95 H THR 18 H THR 18 -20.708 -1.025 -7.291 96 HA THR 18 HA THR 18 -22.235 -3.436 -6.457 97 HB THR 18 HB THR 18 -20.645 -2.964 -8.941 98 HG1 THR 18 HG1 THR 18 -22.428 -3.992 -9.834 99 1HG2 THR 18 1HG2 THR 18 -19.501 -4.875 -8.244 100 2HG2 THR 18 2HG2 THR 18 -20.838 -5.559 -9.171 101 3HG2 THR 18 3HG2 THR 18 -20.912 -5.527 -7.408 102 H CYS 19 H CYS 19 -19.679 -1.456 -5.819 103 HA CYS 19 HA CYS 19 -17.737 -1.724 -4.529 104 1HB CYS 19 2HB CYS 19 -19.588 -3.736 -3.641 105 2HB CYS 19 1HB CYS 19 -17.948 -4.341 -3.535 106 H LYS 20 H LYS 20 -16.453 -1.771 -6.477 107 HA LYS 20 HA LYS 20 -14.722 -4.008 -6.683 108 1HB LYS 20 2HB LYS 20 -17.139 -4.134 -8.378 109 2HB LYS 20 1HB LYS 20 -15.608 -4.421 -9.208 110 1HG LYS 20 2HG LYS 20 -15.598 -5.815 -6.688 111 2HG LYS 20 1HG LYS 20 -17.046 -6.253 -7.598 112 1HD LYS 20 2HD LYS 20 -15.384 -6.460 -9.618 113 2HD LYS 20 1HD LYS 20 -14.159 -6.603 -8.358 114 1HE LYS 20 2HE LYS 20 -14.847 -8.682 -7.759 115 2HE LYS 20 1HE LYS 20 -16.552 -8.256 -7.900 116 1HZ LYS 20 1HZ LYS 20 -15.489 -9.909 -9.569 117 2HZ LYS 20 2HZ LYS 20 -14.919 -8.501 -10.331 118 3HZ LYS 20 3HZ LYS 20 -16.588 -8.743 -10.124 119 H LEU 21 H LEU 21 -13.666 -3.882 -9.119 120 HA LEU 21 HA LEU 21 -12.506 -1.228 -9.215 121 1HB LEU 21 2HB LEU 21 -12.122 -3.798 -10.582 122 2HB LEU 21 1HB LEU 21 -11.861 -2.395 -11.617 123 HG LEU 21 HG LEU 21 -10.580 -2.734 -8.898 124 1HD1 LEU 21 1HD1 LEU 21 -9.922 -4.353 -10.863 125 2HD1 LEU 21 2HD1 LEU 21 -8.658 -3.569 -9.914 126 3HD1 LEU 21 3HD1 LEU 21 -9.101 -2.926 -11.496 127 1HD2 LEU 21 1HD2 LEU 21 -9.268 -0.986 -10.772 128 2HD2 LEU 21 2HD2 LEU 21 -9.874 -0.636 -9.157 129 3HD2 LEU 21 3HD2 LEU 21 -10.948 -0.500 -10.545 130 H ARG 22 H ARG 22 -12.683 0.281 -10.927 131 HA ARG 22 HA ARG 22 -15.297 0.255 -12.275 132 1HB ARG 22 2HB ARG 22 -13.522 2.272 -11.427 133 2HB ARG 22 1HB ARG 22 -13.436 2.303 -13.189 134 1HG ARG 22 2HG ARG 22 -16.146 2.018 -12.723 135 2HG ARG 22 1HG ARG 22 -15.638 3.090 -11.417 136 1HD ARG 22 2HD ARG 22 -15.750 4.761 -12.935 137 2HD ARG 22 1HD ARG 22 -14.275 4.083 -13.623 138 HE ARG 22 HE ARG 22 -15.561 3.227 -15.419 139 1HH1 ARG 22 1HH2 ARG 22 -17.543 3.759 -12.670 140 2HH1 ARG 22 2HH2 ARG 22 -19.021 3.819 -13.572 141 1HH2 ARG 22 1HH1 ARG 22 -17.460 3.530 -16.655 142 2HH2 ARG 22 2HH1 ARG 22 -18.974 3.690 -15.829 143 HA PRO 23 HA PRO 23 -13.485 -2.002 -15.664 144 1HB PRO 23 2HB PRO 23 -15.569 -1.577 -17.433 145 2HB PRO 23 1HB PRO 23 -15.573 -2.810 -16.159 146 1HG PRO 23 2HG PRO 23 -16.919 -0.122 -16.184 147 2HG PRO 23 1HG PRO 23 -17.469 -1.647 -15.462 148 1HD PRO 23 2HD PRO 23 -16.340 0.389 -13.969 149 2HD PRO 23 1HD PRO 23 -16.253 -1.318 -13.511 150 H GLY 24 H GLY 24 -11.901 -0.163 -15.702 151 1HA GLY 24 2HA GLY 24 -11.467 0.845 -18.288 152 2HA GLY 24 1HA GLY 24 -12.191 2.149 -17.340 153 H ALA 25 H ALA 25 -10.133 -0.397 -16.008 154 HA ALA 25 HA ALA 25 -7.713 1.169 -15.951 155 1HB ALA 25 1HB ALA 25 -8.367 2.530 -14.248 156 2HB ALA 25 2HB ALA 25 -8.070 1.120 -13.233 157 3HB ALA 25 3HB ALA 25 -9.702 1.474 -13.795 158 H GLN 26 H GLN 26 -6.576 0.108 -13.594 159 HA GLN 26 HA GLN 26 -7.014 -2.821 -13.796 160 1HB GLN 26 2HB GLN 26 -5.082 -1.742 -15.326 161 2HB GLN 26 1HB GLN 26 -4.176 -1.926 -13.823 162 1HG GLN 26 2HG GLN 26 -3.988 -4.140 -14.165 163 2HG GLN 26 1HG GLN 26 -5.741 -4.290 -14.281 164 1HE2 GLN 26 1HE2 GLN 26 -2.814 -4.409 -16.096 165 2HE2 GLN 26 2HE2 GLN 26 -3.516 -4.487 -17.640 166 H CYS 27 H CYS 27 -7.349 -0.661 -11.671 167 HA CYS 27 HA CYS 27 -6.579 -2.224 -9.442 168 1HB CYS 27 2HB CYS 27 -4.722 -0.850 -8.516 169 2HB CYS 27 1HB CYS 27 -4.273 -1.660 -10.012 170 H GLY 28 H GLY 28 -7.806 -1.563 -7.762 171 1HA GLY 28 2HA GLY 28 -9.186 1.041 -8.011 172 2HA GLY 28 1HA GLY 28 -9.662 -0.273 -6.943 173 H GLU 29 H GLU 29 -6.562 -0.337 -6.332 174 HA GLU 29 HA GLU 29 -5.937 2.086 -4.981 175 1HB GLU 29 2HB GLU 29 -6.404 1.233 -2.621 176 2HB GLU 29 1HB GLU 29 -7.814 1.722 -3.558 177 1HG GLU 29 2HG GLU 29 -8.318 -0.578 -4.119 178 2HG GLU 29 1HG GLU 29 -6.819 -1.134 -3.374 179 H GLY 30 H GLY 30 -3.805 1.975 -4.457 180 1HA GLY 30 2HA GLY 30 -2.486 -0.234 -3.267 181 2HA GLY 30 1HA GLY 30 -2.242 -0.336 -5.011 182 H LEU 31 H LEU 31 -0.062 0.112 -3.300 183 HA LEU 31 HA LEU 31 0.525 2.917 -3.002 184 1HB LEU 31 2HB LEU 31 1.941 0.387 -2.637 185 2HB LEU 31 1HB LEU 31 2.976 1.741 -3.063 186 HG LEU 31 HG LEU 31 0.899 2.229 -0.986 187 1HD1 LEU 31 1HD1 LEU 31 3.477 0.972 -0.118 188 2HD1 LEU 31 2HD1 LEU 31 2.151 -0.075 -0.624 189 3HD1 LEU 31 3HD1 LEU 31 1.930 1.040 0.723 190 1HD2 LEU 31 1HD2 LEU 31 2.686 3.627 -0.061 191 2HD2 LEU 31 2HD2 LEU 31 2.504 3.966 -1.783 192 3HD2 LEU 31 3HD2 LEU 31 3.837 2.959 -1.218 193 H CYS 32 H CYS 32 1.266 0.506 -5.490 194 HA CYS 32 HA CYS 32 2.534 2.662 -7.111 195 1HB CYS 32 2HB CYS 32 2.550 -0.288 -7.753 196 2HB CYS 32 1HB CYS 32 3.658 0.961 -8.324 197 H CYS 33 H CYS 33 -0.420 2.255 -6.740 198 HA CYS 33 HA CYS 33 -1.174 1.524 -9.534 199 1HB CYS 33 2HB CYS 33 -2.573 0.297 -8.100 200 2HB CYS 33 1HB CYS 33 -2.675 1.599 -6.923 201 H GLU 34 H GLU 34 -0.729 3.426 -10.659 202 HA GLU 34 HA GLU 34 -1.175 6.069 -9.706 203 1HB GLU 34 2HB GLU 34 -1.016 6.762 -12.031 204 2HB GLU 34 1HB GLU 34 0.155 5.473 -11.749 205 1HG GLU 34 2HG GLU 34 -0.888 4.067 -13.184 206 2HG GLU 34 1HG GLU 34 -2.482 4.468 -12.544 207 H GLN 35 H GLN 35 -2.846 7.172 -11.760 208 HA GLN 35 HA GLN 35 -5.378 7.064 -10.503 209 1HB GLN 35 2HB GLN 35 -4.377 8.703 -12.335 210 2HB GLN 35 1HB GLN 35 -5.208 7.612 -13.445 211 1HG GLN 35 2HG GLN 35 -7.327 8.041 -12.450 212 2HG GLN 35 1HG GLN 35 -6.593 8.813 -11.043 213 1HE2 GLN 35 1HE2 GLN 35 -4.789 10.602 -12.187 214 2HE2 GLN 35 2HE2 GLN 35 -5.613 11.721 -13.161 215 H CYS 36 H CYS 36 -5.934 4.865 -10.191 216 HA CYS 36 HA CYS 36 -6.756 2.743 -10.774 217 1HB CYS 36 2HB CYS 36 -8.007 3.996 -13.194 218 2HB CYS 36 1HB CYS 36 -8.696 2.836 -12.057 219 H LYS 37 H LYS 37 -4.173 2.855 -11.612 220 HA LYS 37 HA LYS 37 -4.267 1.202 -14.029 221 1HB LYS 37 2HB LYS 37 -3.682 4.022 -14.229 222 2HB LYS 37 1HB LYS 37 -2.268 3.076 -14.698 223 1HG LYS 37 2HG LYS 37 -5.038 2.467 -15.744 224 2HG LYS 37 1HG LYS 37 -3.941 3.579 -16.565 225 1HD LYS 37 2HD LYS 37 -2.388 1.308 -15.993 226 2HD LYS 37 1HD LYS 37 -3.934 0.678 -16.564 227 1HE LYS 37 2HE LYS 37 -3.500 2.728 -18.330 228 2HE LYS 37 1HE LYS 37 -1.854 2.168 -18.033 229 1HZ LYS 37 1HZ LYS 37 -2.244 0.217 -19.040 230 2HZ LYS 37 2HZ LYS 37 -3.522 1.048 -19.792 231 3HZ LYS 37 3HZ LYS 37 -3.821 0.079 -18.427 232 H PHE 38 H PHE 38 -2.680 -0.315 -13.907 233 HA PHE 38 HA PHE 38 -0.963 -0.555 -11.663 234 1HB PHE 38 2HB PHE 38 -1.129 -1.831 -14.353 235 2HB PHE 38 1HB PHE 38 0.390 -2.007 -13.484 236 HD1 PHE 38 HD1 PHE 38 -0.163 -4.486 -13.457 237 HD2 PHE 38 HD2 PHE 38 -2.532 -1.552 -11.398 238 HE1 PHE 38 HE1 PHE 38 -1.158 -6.272 -12.055 239 HE2 PHE 38 HE2 PHE 38 -3.524 -3.344 -9.995 240 HZ PHE 38 HZ PHE 38 -2.838 -5.701 -10.326 241 H SER 39 H SER 39 0.420 1.181 -11.231 242 HA SER 39 HA SER 39 1.705 2.879 -13.013 243 1HB SER 39 2HB SER 39 2.825 1.719 -10.473 244 2HB SER 39 1HB SER 39 3.521 3.090 -11.320 245 HG SER 39 HG SER 39 1.866 4.309 -10.725 246 H ARG 40 H ARG 40 4.033 2.808 -13.787 247 HA ARG 40 HA ARG 40 4.582 0.108 -14.821 248 1HB ARG 40 2HB ARG 40 4.944 2.788 -15.807 249 2HB ARG 40 1HB ARG 40 6.478 1.920 -15.845 250 1HG ARG 40 2HG ARG 40 5.102 -0.022 -16.885 251 2HG ARG 40 1HG ARG 40 3.882 1.212 -17.203 252 1HD ARG 40 2HD ARG 40 6.777 1.452 -18.063 253 2HD ARG 40 1HD ARG 40 5.491 0.848 -19.108 254 HE ARG 40 HE ARG 40 4.520 3.285 -18.232 255 1HH1 ARG 40 1HH2 ARG 40 7.500 3.938 -18.033 256 2HH1 ARG 40 2HH2 ARG 40 7.789 4.641 -19.588 257 1HH2 ARG 40 1HH1 ARG 40 4.853 3.429 -20.978 258 2HH2 ARG 40 2HH1 ARG 40 6.291 4.353 -21.255 259 H ALA 41 H ALA 41 6.772 -0.785 -14.662 260 HA ALA 41 HA ALA 41 7.893 -0.815 -12.126 261 1HB ALA 41 1HB ALA 41 10.139 -1.203 -13.558 262 2HB ALA 41 2HB ALA 41 8.952 -1.389 -14.848 263 3HB ALA 41 3HB ALA 41 8.881 -2.432 -13.428 264 H GLY 42 H GLY 42 9.884 0.212 -11.284 265 1HA GLY 42 2HA GLY 42 11.424 2.039 -11.160 266 2HA GLY 42 1HA GLY 42 10.638 2.742 -12.564 267 H LYS 43 H LYS 43 8.597 1.544 -10.009 268 HA LYS 43 HA LYS 43 7.916 4.376 -9.412 269 1HB LYS 43 2HB LYS 43 6.026 3.075 -10.163 270 2HB LYS 43 1HB LYS 43 6.366 1.828 -8.970 271 1HG LYS 43 2HG LYS 43 4.638 3.092 -7.974 272 2HG LYS 43 1HG LYS 43 6.102 3.704 -7.213 273 1HD LYS 43 2HD LYS 43 6.103 5.675 -8.502 274 2HD LYS 43 1HD LYS 43 5.026 4.985 -9.716 275 1HE LYS 43 2HE LYS 43 3.177 5.590 -8.566 276 2HE LYS 43 1HE LYS 43 3.838 4.995 -7.043 277 1HZ LYS 43 1HZ LYS 43 3.621 7.639 -7.910 278 2HZ LYS 43 2HZ LYS 43 5.277 7.270 -7.820 279 3HZ LYS 43 3HZ LYS 43 4.283 7.066 -6.456 280 H ILE 44 H ILE 44 8.613 5.228 -7.520 281 HA ILE 44 HA ILE 44 9.825 3.495 -5.505 282 HB ILE 44 HB ILE 44 10.898 5.603 -5.859 283 1HG1 ILE 44 2HG1 ILE 44 10.630 6.714 -3.617 284 2HG1 ILE 44 1HG1 ILE 44 9.251 5.657 -3.312 285 1HG2 ILE 44 1HG2 ILE 44 9.370 7.029 -6.865 286 2HG2 ILE 44 2HG2 ILE 44 9.400 7.704 -5.235 287 3HG2 ILE 44 3HG2 ILE 44 8.088 6.630 -5.720 288 1HD1 ILE 44 1HD1 ILE 44 10.611 3.699 -3.365 289 2HD1 ILE 44 2HD1 ILE 44 11.502 4.864 -2.386 290 3HD1 ILE 44 3HD1 ILE 44 11.973 4.577 -4.060 291 H CYS 45 H CYS 45 8.195 2.266 -4.517 292 HA CYS 45 HA CYS 45 5.748 3.566 -3.524 293 1HB CYS 45 2HB CYS 45 5.142 1.331 -2.745 294 2HB CYS 45 1HB CYS 45 5.731 1.236 -4.396 295 H ARG 46 H ARG 46 8.924 2.939 -2.408 296 HA ARG 46 HA ARG 46 8.365 4.204 0.152 297 1HB ARG 46 2HB ARG 46 7.632 1.780 0.468 298 2HB ARG 46 1HB ARG 46 9.325 1.337 0.255 299 1HG ARG 46 2HG ARG 46 9.544 1.687 2.478 300 2HG ARG 46 1HG ARG 46 9.446 3.406 2.096 301 1HD ARG 46 2HD ARG 46 7.511 3.541 3.236 302 2HD ARG 46 1HD ARG 46 6.785 2.382 2.123 303 HE ARG 46 HE ARG 46 7.589 1.813 4.825 304 1HH1 ARG 46 1HH1 ARG 46 5.764 0.368 2.679 305 2HH1 ARG 46 2HH1 ARG 46 6.499 -1.201 2.707 306 1HH2 ARG 46 1HH2 ARG 46 9.322 -0.139 4.421 307 2HH2 ARG 46 2HH2 ARG 46 8.513 -1.488 3.693 308 H ILE 47 H ILE 47 10.305 4.916 1.134 309 HA ILE 47 HA ILE 47 12.698 4.687 -0.598 310 HB ILE 47 HB ILE 47 12.185 6.935 0.057 311 1HG1 ILE 47 2HG1 ILE 47 14.202 7.586 1.208 312 2HG1 ILE 47 1HG1 ILE 47 14.347 5.998 1.966 313 1HG2 ILE 47 1HG2 ILE 47 10.770 6.894 1.879 314 2HG2 ILE 47 2HG2 ILE 47 12.275 7.302 2.703 315 3HG2 ILE 47 3HG2 ILE 47 11.693 5.636 2.702 316 1HD1 ILE 47 1HD1 ILE 47 14.214 6.051 -1.007 317 2HD1 ILE 47 2HD1 ILE 47 15.157 5.009 0.059 318 3HD1 ILE 47 3HD1 ILE 47 15.697 6.655 -0.270 319 H ALA 48 H ALA 48 14.350 3.325 -0.069 320 HA ALA 48 HA ALA 48 14.220 1.522 2.109 321 1HB ALA 48 1HB ALA 48 15.948 1.946 -0.070 322 2HB ALA 48 2HB ALA 48 16.003 0.608 1.078 323 3HB ALA 48 3HB ALA 48 16.967 2.056 1.363 324 H ARG 49 H ARG 49 16.198 1.425 3.718 325 HA ARG 49 HA ARG 49 16.620 4.135 4.894 326 1HB ARG 49 2HB ARG 49 16.418 1.854 6.747 327 2HB ARG 49 1HB ARG 49 15.844 3.505 6.945 328 1HG ARG 49 2HG ARG 49 13.800 2.490 6.680 329 2HG ARG 49 1HG ARG 49 14.189 2.703 4.972 330 1HD ARG 49 2HD ARG 49 13.661 0.438 5.021 331 2HD ARG 49 1HD ARG 49 15.405 0.380 5.274 332 HE ARG 49 HE ARG 49 14.923 0.114 7.715 333 1HH1 ARG 49 1HH2 ARG 49 11.936 0.759 6.538 334 2HH1 ARG 49 2HH2 ARG 49 11.171 -0.697 7.082 335 1HH2 ARG 49 1HH1 ARG 49 14.146 -2.259 7.934 336 2HH2 ARG 49 2HH1 ARG 49 12.422 -2.405 7.871 337 H GLY 50 H GLY 50 18.560 3.034 3.277 338 1HA GLY 50 2HA GLY 50 20.828 2.922 4.983 339 2HA GLY 50 1HA GLY 50 20.389 1.276 4.546 340 H ASP 51 H ASP 51 21.903 0.705 3.065 341 HA ASP 51 HA ASP 51 22.797 2.579 1.011 342 1HB ASP 51 2HB ASP 51 23.945 0.378 2.314 343 2HB ASP 51 1HB ASP 51 23.743 -0.100 0.629 344 H TRP 52 H TRP 52 21.343 -0.603 1.113 345 HA TRP 52 HA TRP 52 20.877 -1.338 -1.445 346 1HB TRP 52 2HB TRP 52 18.408 -1.841 -0.579 347 2HB TRP 52 1HB TRP 52 19.794 -2.717 0.078 348 HD1 TRP 52 HD1 TRP 52 18.053 0.648 0.816 349 HE1 TRP 52 HE1 TRP 52 17.910 0.945 3.356 350 HE3 TRP 52 HE3 TRP 52 20.373 -3.613 2.313 351 HZ2 TRP 52 HZ2 TRP 52 18.683 -0.441 5.738 352 HZ3 TRP 52 HZ3 TRP 52 20.670 -4.113 4.727 353 HH2 TRP 52 HH2 TRP 52 19.829 -2.527 6.441 354 H ASN 53 H ASN 53 19.222 -0.913 -3.045 355 HA ASN 53 HA ASN 53 18.760 1.878 -3.519 356 1HB ASN 53 2HB ASN 53 18.468 -0.561 -4.962 357 2HB ASN 53 1HB ASN 53 16.923 0.289 -5.033 358 1HD2 ASN 53 1HD2 ASN 53 17.947 0.315 -7.452 359 2HD2 ASN 53 2HD2 ASN 53 18.790 1.740 -7.827 360 H ASP 54 H ASP 54 16.182 2.193 -4.337 361 HA ASP 54 HA ASP 54 14.757 2.318 -1.775 362 1HB ASP 54 2HB ASP 54 13.310 3.071 -4.221 363 2HB ASP 54 1HB ASP 54 13.506 3.960 -2.718 364 H ASP 55 H ASP 55 12.107 2.052 -2.714 365 HA ASP 55 HA ASP 55 12.008 -0.895 -3.157 366 1HB ASP 55 2HB ASP 55 10.985 0.400 -1.067 367 2HB ASP 55 1HB ASP 55 9.648 0.610 -2.189 368 H ARG 56 H ARG 56 12.368 0.035 -5.491 369 HA ARG 56 HA ARG 56 10.365 1.373 -6.955 370 1HB ARG 56 2HB ARG 56 12.788 0.243 -7.521 371 2HB ARG 56 1HB ARG 56 11.689 -0.866 -8.341 372 1HG ARG 56 2HG ARG 56 11.740 0.648 -10.018 373 2HG ARG 56 1HG ARG 56 10.619 1.566 -9.010 374 1HD ARG 56 2HD ARG 56 12.503 2.986 -9.717 375 2HD ARG 56 1HD ARG 56 12.532 2.744 -7.970 376 HE ARG 56 HE ARG 56 14.475 1.361 -8.226 377 1HH1 ARG 56 1HH2 ARG 56 13.666 -0.066 -10.739 378 2HH1 ARG 56 2HH2 ARG 56 14.788 0.574 -11.893 379 1HH2 ARG 56 1HH1 ARG 56 15.699 3.268 -9.912 380 2HH2 ARG 56 2HH1 ARG 56 15.940 2.460 -11.426 381 H CYS 57 H CYS 57 8.646 0.595 -8.265 382 HA CYS 57 HA CYS 57 7.466 -1.963 -7.301 383 1HB CYS 57 2HB CYS 57 6.136 0.074 -9.096 384 2HB CYS 57 1HB CYS 57 5.371 -1.185 -8.139 385 H THR 58 H THR 58 6.707 -3.466 -8.950 386 HA THR 58 HA THR 58 8.497 -3.652 -11.230 387 HB THR 58 HB THR 58 7.528 -5.769 -11.596 388 HG1 THR 58 HG1 THR 58 5.451 -6.132 -11.368 389 1HG2 THR 58 1HG2 THR 58 7.682 -6.788 -9.519 390 2HG2 THR 58 2HG2 THR 58 6.763 -5.517 -8.712 391 3HG2 THR 58 3HG2 THR 58 8.444 -5.236 -9.171 392 H GLY 59 H GLY 59 6.856 -4.547 -13.295 393 1HA GLY 59 2HA GLY 59 5.505 -2.004 -14.047 394 2HA GLY 59 1HA GLY 59 6.076 -3.225 -15.184 395 H GLN 60 H GLN 60 4.508 -4.532 -12.450 396 HA GLN 60 HA GLN 60 1.828 -4.487 -13.695 397 1HB GLN 60 2HB GLN 60 2.859 -7.192 -12.956 398 2HB GLN 60 1HB GLN 60 1.678 -6.740 -14.183 399 1HG GLN 60 2HG GLN 60 3.397 -5.963 -15.672 400 2HG GLN 60 1HG GLN 60 4.625 -6.091 -14.414 401 1HE2 GLN 60 1HE2 GLN 60 2.077 -8.367 -15.605 402 2HE2 GLN 60 2HE2 GLN 60 3.148 -9.662 -15.845 403 H SER 61 H SER 61 3.466 -3.885 -11.067 404 HA SER 61 HA SER 61 1.669 -5.369 -9.201 405 1HB SER 61 2HB SER 61 3.336 -5.274 -7.618 406 2HB SER 61 1HB SER 61 4.343 -5.198 -9.060 407 HG SER 61 HG SER 61 4.929 -3.511 -7.740 408 H ALA 62 H ALA 62 0.084 -4.241 -8.165 409 HA ALA 62 HA ALA 62 0.013 -1.294 -8.548 410 1HB ALA 62 1HB ALA 62 -2.337 -2.060 -7.258 411 2HB ALA 62 2HB ALA 62 -1.982 -3.415 -8.329 412 3HB ALA 62 3HB ALA 62 -2.148 -1.787 -8.990 413 H ASP 63 H ASP 63 0.786 -3.618 -6.180 414 HA ASP 63 HA ASP 63 0.385 -1.610 -4.007 415 1HB ASP 63 2HB ASP 63 0.913 -4.529 -3.595 416 2HB ASP 63 1HB ASP 63 0.221 -3.381 -2.457 417 H CYS 64 H CYS 64 2.170 -2.663 -2.148 418 HA CYS 64 HA CYS 64 4.803 -2.763 -3.511 419 1HB CYS 64 2HB CYS 64 4.571 -0.404 -3.134 420 2HB CYS 64 1HB CYS 64 3.952 -0.662 -1.504 421 HA PRO 65 HA PRO 65 5.163 -5.719 -0.240 422 1HB PRO 65 2HB PRO 65 7.493 -6.769 -1.220 423 2HB PRO 65 1HB PRO 65 5.901 -7.206 -1.839 424 1HG PRO 65 2HG PRO 65 8.012 -5.515 -3.067 425 2HG PRO 65 1HG PRO 65 6.695 -6.407 -3.847 426 1HD PRO 65 2HD PRO 65 6.766 -3.616 -3.336 427 2HD PRO 65 1HD PRO 65 5.359 -4.558 -3.874 428 H ARG 66 H ARG 66 7.793 -6.459 0.596 429 HA ARG 66 HA ARG 66 8.972 -3.891 1.482 430 1HB ARG 66 2HB ARG 66 9.242 -4.773 3.750 431 2HB ARG 66 1HB ARG 66 7.538 -4.815 3.294 432 1HG ARG 66 2HG ARG 66 8.549 -7.259 2.392 433 2HG ARG 66 1HG ARG 66 9.322 -7.020 3.959 434 1HD ARG 66 2HD ARG 66 6.941 -6.368 4.780 435 2HD ARG 66 1HD ARG 66 6.385 -7.179 3.316 436 HE ARG 66 HE ARG 66 8.155 -8.971 4.553 437 1HH1 ARG 66 1HH2 ARG 66 4.953 -7.830 4.643 438 2HH1 ARG 66 2HH2 ARG 66 4.471 -8.827 5.974 439 1HH2 ARG 66 1HH1 ARG 66 7.662 -10.052 6.557 440 2HH2 ARG 66 2HH1 ARG 66 6.004 -10.083 7.060 441 H TYR 67 H TYR 67 10.664 -4.254 -0.066 442 HA TYR 67 HA TYR 67 12.162 -6.651 -0.302 443 1HB TYR 67 2HB TYR 67 12.265 -4.053 -1.390 444 2HB TYR 67 1HB TYR 67 13.845 -4.349 -0.670 445 HD1 TYR 67 HD1 TYR 67 11.317 -6.474 -2.459 446 HD2 TYR 67 HD2 TYR 67 15.392 -5.140 -2.212 447 HE1 TYR 67 HE1 TYR 67 11.916 -7.952 -4.358 448 HE2 TYR 67 HE2 TYR 67 15.992 -6.617 -4.111 449 HH TYR 67 HH TYR 67 14.931 -8.873 -5.087 450 H HIS 68 HN HIS 68 12.489 -3.918 1.924 451 HA HIS 68 HA HIS 68 14.174 -5.611 3.659 452 1HB HIS 68 2HB HIS 68 15.106 -3.039 2.379 453 2HB HIS 68 1HB HIS 68 15.790 -3.609 3.902 454 HD1 HIS 68 HD1 HIS 68 17.045 -3.538 0.818 455 HD2 HIS 68 HD2 HIS 68 15.963 -6.843 3.117 456 HE1 HIS 68 HE1 HIS 68 18.342 -5.509 -0.105 Start of MODEL 14 1 1H GLY 1 1HT GLY 1 -9.920 -15.697 -2.342 2 2H GLY 1 2HT GLY 1 -10.334 -14.797 -3.722 3 3H GLY 1 3HT GLY 1 -11.214 -16.194 -3.320 4 1HA GLY 1 1HA GLY 1 -12.651 -14.685 -2.480 5 2HA GLY 1 2HA GLY 1 -11.584 -14.854 -1.087 6 H LYS 2 H LYS 2 -12.318 -12.588 -0.630 7 HA LYS 2 HA LYS 2 -11.908 -10.280 -0.603 8 1HB LYS 2 2HB LYS 2 -9.568 -11.093 -0.317 9 2HB LYS 2 1HB LYS 2 -9.378 -11.080 -2.071 10 1HG LYS 2 2HG LYS 2 -9.222 -8.808 -2.170 11 2HG LYS 2 1HG LYS 2 -10.426 -8.572 -0.902 12 1HD LYS 2 2HD LYS 2 -7.567 -9.477 -0.445 13 2HD LYS 2 1HD LYS 2 -8.173 -7.843 -0.166 14 1HE LYS 2 2HE LYS 2 -9.982 -9.162 1.287 15 2HE LYS 2 1HE LYS 2 -8.677 -10.344 1.387 16 1HZ LYS 2 1HZ LYS 2 -7.567 -7.820 1.776 17 2HZ LYS 2 2HZ LYS 2 -7.714 -9.081 2.904 18 3HZ LYS 2 3HZ LYS 2 -8.940 -7.913 2.766 19 H GLU 3 H GLU 3 -13.759 -10.470 -2.315 20 HA GLU 3 HA GLU 3 -12.905 -9.840 -5.063 21 1HB GLU 3 2HB GLU 3 -15.218 -10.961 -3.883 22 2HB GLU 3 1HB GLU 3 -15.712 -9.443 -4.632 23 1HG GLU 3 2HG GLU 3 -15.859 -11.292 -6.251 24 2HG GLU 3 1HG GLU 3 -14.626 -10.129 -6.741 25 H CYS 4 H CYS 4 -12.025 -7.925 -3.193 26 HA CYS 4 HA CYS 4 -13.705 -5.597 -4.007 27 1HB CYS 4 2HB CYS 4 -12.297 -6.048 -1.363 28 2HB CYS 4 1HB CYS 4 -12.976 -4.498 -1.858 29 H ASP 5 H ASP 5 -12.382 -5.089 -5.762 30 HA ASP 5 HA ASP 5 -9.489 -4.905 -5.516 31 1HB ASP 5 2HB ASP 5 -11.176 -5.153 -7.638 32 2HB ASP 5 1HB ASP 5 -10.825 -3.427 -7.704 33 H CYS 6 H CYS 6 -11.978 -2.937 -4.431 34 HA CYS 6 HA CYS 6 -10.134 -0.583 -4.397 35 1HB CYS 6 2HB CYS 6 -12.324 0.788 -4.384 36 2HB CYS 6 1HB CYS 6 -11.831 0.068 -5.917 37 H SER 7 H SER 7 -10.138 0.619 -2.451 38 HA SER 7 HA SER 7 -11.354 -0.821 -0.147 39 1HB SER 7 2HB SER 7 -9.641 0.032 1.173 40 2HB SER 7 1HB SER 7 -8.820 -0.091 -0.382 41 HG SER 7 HG SER 7 -10.037 2.199 0.778 42 H SER 8 H SER 8 -11.389 2.235 -1.863 43 HA SER 8 HA SER 8 -13.290 3.324 0.160 44 1HB SER 8 2HB SER 8 -12.712 5.321 -1.722 45 2HB SER 8 1HB SER 8 -12.058 5.193 -0.091 46 HG SER 8 HG SER 8 -10.290 4.180 -0.876 47 HA PRO 9 HA PRO 9 -16.297 2.389 -3.042 48 1HB PRO 9 2HB PRO 9 -18.480 2.817 -1.430 49 2HB PRO 9 1HB PRO 9 -17.541 1.314 -1.428 50 1HG PRO 9 2HG PRO 9 -17.575 3.507 0.589 51 2HG PRO 9 1HG PRO 9 -17.181 1.794 0.803 52 1HD PRO 9 2HD PRO 9 -15.316 3.920 0.610 53 2HD PRO 9 1HD PRO 9 -14.942 2.185 0.515 54 H GLU 10 H GLU 10 -15.081 5.059 -2.908 55 HA GLU 10 HA GLU 10 -17.393 6.613 -3.884 56 1HB GLU 10 2HB GLU 10 -16.375 7.023 -1.286 57 2HB GLU 10 1HB GLU 10 -15.722 8.339 -2.265 58 1HG GLU 10 2HG GLU 10 -17.775 9.243 -1.670 59 2HG GLU 10 1HG GLU 10 -18.202 8.451 -3.188 60 H ASN 11 H ASN 11 -14.630 5.373 -4.658 61 HA ASN 11 HA ASN 11 -13.385 7.802 -5.780 62 1HB ASN 11 2HB ASN 11 -11.417 6.458 -6.125 63 2HB ASN 11 1HB ASN 11 -11.998 6.120 -4.502 64 1HD2 ASN 11 1HD2 ASN 11 -10.488 4.112 -5.291 65 2HD2 ASN 11 2HD2 ASN 11 -11.369 2.793 -5.893 66 HA PRO 12 HA PRO 12 -14.797 6.843 -9.816 67 1HB PRO 12 2HB PRO 12 -12.690 7.733 -11.339 68 2HB PRO 12 1HB PRO 12 -13.833 8.808 -10.513 69 1HG PRO 12 2HG PRO 12 -11.012 8.169 -9.801 70 2HG PRO 12 1HG PRO 12 -11.967 9.611 -9.419 71 1HD PRO 12 2HD PRO 12 -11.399 7.462 -7.655 72 2HD PRO 12 1HD PRO 12 -12.579 8.762 -7.381 73 H CYS 13 H CYS 13 -13.283 4.593 -8.481 74 HA CYS 13 HA CYS 13 -12.787 3.043 -10.916 75 1HB CYS 13 2HB CYS 13 -10.613 4.182 -9.395 76 2HB CYS 13 1HB CYS 13 -10.557 2.423 -9.293 77 H CYS 14 H CYS 14 -14.531 3.158 -8.421 78 HA CYS 14 HA CYS 14 -14.073 0.321 -7.597 79 1HB CYS 14 2HB CYS 14 -13.483 1.876 -5.756 80 2HB CYS 14 1HB CYS 14 -15.096 2.581 -5.848 81 H ASP 15 H ASP 15 -16.032 -0.863 -7.127 82 HA ASP 15 HA ASP 15 -18.527 0.420 -8.150 83 1HB ASP 15 2HB ASP 15 -17.219 -1.379 -9.629 84 2HB ASP 15 1HB ASP 15 -18.108 -2.480 -8.583 85 H ALA 16 H ALA 16 -19.949 0.467 -6.487 86 HA ALA 16 HA ALA 16 -19.650 -1.061 -4.096 87 1HB ALA 16 1HB ALA 16 -21.388 0.193 -3.328 88 2HB ALA 16 2HB ALA 16 -22.376 -0.130 -4.753 89 3HB ALA 16 3HB ALA 16 -21.130 1.116 -4.809 90 H ALA 17 H ALA 17 -21.252 -1.737 -7.124 91 HA ALA 17 HA ALA 17 -23.084 -3.733 -6.253 92 1HB ALA 17 1HB ALA 17 -23.529 -3.779 -8.457 93 2HB ALA 17 2HB ALA 17 -21.938 -4.463 -8.788 94 3HB ALA 17 3HB ALA 17 -22.151 -2.714 -8.730 95 H THR 18 H THR 18 -19.672 -3.731 -6.245 96 HA THR 18 HA THR 18 -19.553 -6.375 -5.103 97 HB THR 18 HB THR 18 -19.384 -7.614 -6.987 98 HG1 THR 18 HG1 THR 18 -17.413 -7.607 -7.976 99 1HG2 THR 18 1HG2 THR 18 -19.331 -4.924 -8.319 100 2HG2 THR 18 2HG2 THR 18 -20.542 -6.201 -8.434 101 3HG2 THR 18 3HG2 THR 18 -18.995 -6.375 -9.264 102 H CYS 19 H CYS 19 -18.664 -3.588 -4.681 103 HA CYS 19 HA CYS 19 -16.706 -2.341 -4.204 104 1HB CYS 19 2HB CYS 19 -15.371 -3.452 -2.471 105 2HB CYS 19 1HB CYS 19 -17.085 -3.760 -2.210 106 H LYS 20 H LYS 20 -16.551 -3.811 -6.796 107 HA LYS 20 HA LYS 20 -13.598 -4.281 -6.844 108 1HB LYS 20 2HB LYS 20 -15.870 -5.541 -8.334 109 2HB LYS 20 1HB LYS 20 -14.293 -5.435 -9.117 110 1HG LYS 20 2HG LYS 20 -14.024 -6.333 -6.367 111 2HG LYS 20 1HG LYS 20 -15.110 -7.387 -7.275 112 1HD LYS 20 2HD LYS 20 -12.492 -6.513 -8.474 113 2HD LYS 20 1HD LYS 20 -12.548 -7.873 -7.352 114 1HE LYS 20 2HE LYS 20 -13.491 -9.235 -8.891 115 2HE LYS 20 1HE LYS 20 -14.652 -8.002 -9.384 116 1HZ LYS 20 1HZ LYS 20 -12.727 -8.822 -10.969 117 2HZ LYS 20 2HZ LYS 20 -11.860 -7.611 -10.149 118 3HZ LYS 20 3HZ LYS 20 -13.283 -7.219 -10.994 119 H LEU 21 H LEU 21 -12.566 -3.682 -8.978 120 HA LEU 21 HA LEU 21 -12.724 -0.992 -9.569 121 1HB LEU 21 2HB LEU 21 -11.955 -3.365 -11.226 122 2HB LEU 21 1HB LEU 21 -12.063 -1.786 -12.005 123 HG LEU 21 HG LEU 21 -10.469 -2.288 -9.480 124 1HD1 LEU 21 1HD1 LEU 21 -9.835 -3.398 -11.871 125 2HD1 LEU 21 2HD1 LEU 21 -8.626 -2.842 -10.714 126 3HD1 LEU 21 3HD1 LEU 21 -9.096 -1.808 -12.065 127 1HD2 LEU 21 1HD2 LEU 21 -10.476 -0.024 -9.483 128 2HD2 LEU 21 2HD2 LEU 21 -11.190 0.041 -11.095 129 3HD2 LEU 21 3HD2 LEU 21 -9.443 -0.126 -10.910 130 H ARG 22 H ARG 22 -14.285 0.289 -10.399 131 HA ARG 22 HA ARG 22 -16.699 -0.935 -11.510 132 1HB ARG 22 2HB ARG 22 -17.366 0.877 -10.271 133 2HB ARG 22 1HB ARG 22 -15.897 1.786 -10.598 134 1HG ARG 22 2HG ARG 22 -16.690 2.560 -12.673 135 2HG ARG 22 1HG ARG 22 -17.879 1.262 -12.806 136 1HD ARG 22 2HD ARG 22 -18.507 2.643 -10.424 137 2HD ARG 22 1HD ARG 22 -18.189 3.885 -11.635 138 HE ARG 22 HE ARG 22 -19.961 1.708 -12.516 139 1HH1 ARG 22 1HH2 ARG 22 -20.651 3.777 -10.128 140 2HH1 ARG 22 2HH2 ARG 22 -21.778 4.770 -10.993 141 1HH2 ARG 22 1HH1 ARG 22 -20.969 3.445 -14.094 142 2HH2 ARG 22 2HH1 ARG 22 -21.957 4.581 -13.239 143 HA PRO 23 HA PRO 23 -15.164 1.256 -15.458 144 1HB PRO 23 2HB PRO 23 -12.716 2.498 -15.376 145 2HB PRO 23 1HB PRO 23 -14.236 3.315 -14.974 146 1HG PRO 23 2HG PRO 23 -12.077 2.368 -13.151 147 2HG PRO 23 1HG PRO 23 -13.255 3.669 -12.915 148 1HD PRO 23 2HD PRO 23 -13.391 1.070 -11.791 149 2HD PRO 23 1HD PRO 23 -14.692 2.279 -11.810 150 H GLY 24 H GLY 24 -12.905 1.047 -16.932 151 1HA GLY 24 2HA GLY 24 -12.102 -1.777 -16.521 152 2HA GLY 24 1HA GLY 24 -11.857 -0.842 -17.997 153 H ALA 25 H ALA 25 -11.066 0.637 -14.968 154 HA ALA 25 HA ALA 25 -8.382 1.193 -15.710 155 1HB ALA 25 1HB ALA 25 -9.635 2.473 -14.000 156 2HB ALA 25 2HB ALA 25 -8.087 1.903 -13.374 157 3HB ALA 25 3HB ALA 25 -9.578 1.075 -12.927 158 H GLN 26 H GLN 26 -6.539 0.487 -14.036 159 HA GLN 26 HA GLN 26 -6.559 -2.494 -14.061 160 1HB GLN 26 2HB GLN 26 -4.625 -0.551 -14.817 161 2HB GLN 26 1HB GLN 26 -3.985 -1.415 -13.418 162 1HG GLN 26 2HG GLN 26 -3.981 -3.460 -14.511 163 2HG GLN 26 1HG GLN 26 -5.285 -2.990 -15.600 164 1HE2 GLN 26 1HE2 GLN 26 -4.725 -1.629 -17.469 165 2HE2 GLN 26 2HE2 GLN 26 -3.118 -1.495 -17.998 166 H CYS 27 H CYS 27 -6.950 0.084 -11.957 167 HA CYS 27 HA CYS 27 -6.985 -1.580 -9.636 168 1HB CYS 27 2HB CYS 27 -5.047 -0.539 -8.439 169 2HB CYS 27 1HB CYS 27 -4.555 -1.530 -9.813 170 H GLY 28 H GLY 28 -7.639 -0.350 -7.727 171 1HA GLY 28 2HA GLY 28 -8.767 2.305 -8.482 172 2HA GLY 28 1HA GLY 28 -9.431 1.253 -7.233 173 H GLU 29 H GLU 29 -6.236 0.948 -6.729 174 HA GLU 29 HA GLU 29 -5.417 3.440 -5.611 175 1HB GLU 29 2HB GLU 29 -5.942 3.197 -3.287 176 2HB GLU 29 1HB GLU 29 -7.445 2.909 -4.163 177 1HG GLU 29 2HG GLU 29 -7.530 1.017 -2.895 178 2HG GLU 29 1HG GLU 29 -6.414 0.391 -4.107 179 H GLY 30 H GLY 30 -3.264 3.275 -5.055 180 1HA GLY 30 1HA GLY 30 -2.030 1.001 -3.853 181 2HA GLY 30 2HA GLY 30 -1.783 0.918 -5.588 182 H LEU 31 H LEU 31 0.197 1.405 -3.447 183 HA LEU 31 HA LEU 31 1.006 4.137 -3.384 184 1HB LEU 31 2HB LEU 31 2.095 1.620 -2.555 185 2HB LEU 31 1HB LEU 31 3.345 2.564 -3.343 186 HG LEU 31 HG LEU 31 1.612 3.410 -1.010 187 1HD1 LEU 31 1HD1 LEU 31 3.718 3.555 0.182 188 2HD1 LEU 31 2HD1 LEU 31 4.623 3.210 -1.291 189 3HD1 LEU 31 3HD1 LEU 31 3.615 1.959 -0.563 190 1HD2 LEU 31 1HD2 LEU 31 3.503 5.385 -1.403 191 2HD2 LEU 31 2HD2 LEU 31 1.814 5.493 -1.895 192 3HD2 LEU 31 3HD2 LEU 31 3.038 4.975 -3.054 193 H CYS 32 H CYS 32 1.310 1.673 -5.806 194 HA CYS 32 HA CYS 32 2.830 3.590 -7.517 195 1HB CYS 32 2HB CYS 32 3.011 0.619 -7.921 196 2HB CYS 32 1HB CYS 32 4.166 1.872 -8.372 197 H CYS 33 H CYS 33 0.097 3.697 -7.508 198 HA CYS 33 HA CYS 33 -0.565 2.471 -10.146 199 1HB CYS 33 2HB CYS 33 -1.721 1.763 -7.637 200 2HB CYS 33 1HB CYS 33 -2.938 2.654 -8.552 201 H GLU 34 H GLU 34 -1.325 4.009 -11.538 202 HA GLU 34 HA GLU 34 -1.557 6.749 -10.836 203 1HB GLU 34 2HB GLU 34 -1.574 5.349 -13.191 204 2HB GLU 34 1HB GLU 34 -3.253 5.864 -13.063 205 1HG GLU 34 2HG GLU 34 -1.652 8.083 -12.310 206 2HG GLU 34 1HG GLU 34 -0.971 7.432 -13.801 207 H GLN 35 H GLN 35 -3.905 7.840 -11.469 208 HA GLN 35 HA GLN 35 -5.585 7.308 -9.260 209 1HB GLN 35 2HB GLN 35 -5.545 9.319 -10.964 210 2HB GLN 35 1HB GLN 35 -6.746 8.357 -11.825 211 1HG GLN 35 2HG GLN 35 -8.189 9.470 -10.435 212 2HG GLN 35 1HG GLN 35 -7.746 8.174 -9.323 213 1HE2 GLN 35 1HE2 GLN 35 -6.633 8.759 -7.414 214 2HE2 GLN 35 2HE2 GLN 35 -6.097 10.334 -7.077 215 H CYS 36 H CYS 36 -5.275 5.672 -12.282 216 HA CYS 36 HA CYS 36 -7.096 3.598 -11.402 217 1HB CYS 36 2HB CYS 36 -7.879 5.492 -13.601 218 2HB CYS 36 1HB CYS 36 -8.396 3.811 -13.664 219 H LYS 37 H LYS 37 -4.310 3.707 -12.084 220 HA LYS 37 HA LYS 37 -4.317 1.666 -14.231 221 1HB LYS 37 2HB LYS 37 -2.857 4.306 -14.428 222 2HB LYS 37 1HB LYS 37 -2.377 2.890 -15.363 223 1HG LYS 37 2HG LYS 37 -5.174 4.052 -15.384 224 2HG LYS 37 1HG LYS 37 -3.945 4.428 -16.591 225 1HD LYS 37 2HD LYS 37 -4.166 1.559 -16.180 226 2HD LYS 37 1HD LYS 37 -5.718 2.259 -16.643 227 1HE LYS 37 2HE LYS 37 -3.781 3.511 -18.277 228 2HE LYS 37 1HE LYS 37 -3.386 1.793 -18.280 229 1HZ LYS 37 1HZ LYS 37 -5.585 1.257 -18.959 230 2HZ LYS 37 2HZ LYS 37 -5.020 2.476 -20.001 231 3HZ LYS 37 3HZ LYS 37 -6.113 2.855 -18.757 232 H PHE 38 H PHE 38 -2.060 0.695 -14.458 233 HA PHE 38 HA PHE 38 -0.888 0.422 -11.745 234 1HB PHE 38 2HB PHE 38 -0.858 -1.204 -14.255 235 2HB PHE 38 1HB PHE 38 0.510 -1.354 -13.158 236 HD1 PHE 38 HD1 PHE 38 -2.252 -3.060 -13.961 237 HD2 PHE 38 HD2 PHE 38 -0.607 -1.101 -10.512 238 HE1 PHE 38 HE1 PHE 38 -3.579 -4.545 -12.485 239 HE2 PHE 38 HE2 PHE 38 -1.934 -2.586 -9.035 240 HZ PHE 38 HZ PHE 38 -3.421 -4.309 -10.020 241 H SER 39 H SER 39 0.734 1.878 -11.321 242 HA SER 39 HA SER 39 2.196 3.371 -13.189 243 1HB SER 39 2HB SER 39 3.195 2.346 -10.542 244 2HB SER 39 1HB SER 39 3.865 3.704 -11.431 245 HG SER 39 HG SER 39 2.325 4.250 -9.741 246 H ARG 40 H ARG 40 4.757 3.001 -13.402 247 HA ARG 40 HA ARG 40 5.011 0.325 -14.583 248 1HB ARG 40 2HB ARG 40 6.003 2.892 -15.240 249 2HB ARG 40 1HB ARG 40 7.398 1.889 -14.842 250 1HG ARG 40 2HG ARG 40 7.235 0.960 -16.885 251 2HG ARG 40 1HG ARG 40 5.705 0.245 -16.376 252 1HD ARG 40 2HD ARG 40 5.103 1.468 -18.292 253 2HD ARG 40 1HD ARG 40 4.685 2.564 -16.975 254 HE ARG 40 HE ARG 40 7.345 3.159 -17.685 255 1HH1 ARG 40 1HH2 ARG 40 4.444 2.777 -19.470 256 2HH1 ARG 40 2HH2 ARG 40 4.659 4.220 -20.403 257 1HH2 ARG 40 1HH1 ARG 40 7.535 5.192 -18.722 258 2HH2 ARG 40 2HH1 ARG 40 6.411 5.588 -19.980 259 H ALA 41 H ALA 41 6.826 -1.071 -14.052 260 HA ALA 41 HA ALA 41 7.354 -1.354 -11.284 261 1HB ALA 41 1HB ALA 41 9.065 -2.958 -11.923 262 2HB ALA 41 2HB ALA 41 9.158 -2.273 -13.545 263 3HB ALA 41 3HB ALA 41 7.705 -3.132 -13.033 264 H GLY 42 H GLY 42 10.083 -1.546 -10.900 265 1HA GLY 42 2HA GLY 42 11.807 -0.126 -10.142 266 2HA GLY 42 1HA GLY 42 11.709 0.561 -11.765 267 H LYS 43 H LYS 43 8.893 0.616 -9.720 268 HA LYS 43 HA LYS 43 8.979 3.555 -9.747 269 1HB LYS 43 2HB LYS 43 6.862 2.636 -10.345 270 2HB LYS 43 1HB LYS 43 6.877 1.535 -8.973 271 1HG LYS 43 2HG LYS 43 5.440 3.218 -8.218 272 2HG LYS 43 1HG LYS 43 6.975 3.741 -7.549 273 1HD LYS 43 2HD LYS 43 7.324 5.261 -9.435 274 2HD LYS 43 1HD LYS 43 5.834 4.693 -10.189 275 1HE LYS 43 2HE LYS 43 4.583 6.082 -8.933 276 2HE LYS 43 1HE LYS 43 5.356 5.525 -7.449 277 1HZ LYS 43 1HZ LYS 43 7.269 7.021 -8.694 278 2HZ LYS 43 2HZ LYS 43 6.311 7.513 -7.380 279 3HZ LYS 43 3HZ LYS 43 5.841 7.895 -8.968 280 H ILE 44 H ILE 44 9.539 4.768 -7.968 281 HA ILE 44 HA ILE 44 10.391 3.350 -5.568 282 HB ILE 44 HB ILE 44 10.628 6.080 -6.638 283 1HG1 ILE 44 2HG1 ILE 44 12.476 4.485 -6.667 284 2HG1 ILE 44 1HG1 ILE 44 12.874 5.819 -5.582 285 1HG2 ILE 44 1HG2 ILE 44 11.356 6.732 -4.170 286 2HG2 ILE 44 2HG2 ILE 44 10.133 5.538 -3.737 287 3HG2 ILE 44 3HG2 ILE 44 9.687 6.946 -4.699 288 1HD1 ILE 44 1HD1 ILE 44 12.639 3.013 -4.966 289 2HD1 ILE 44 2HD1 ILE 44 11.459 3.926 -4.025 290 3HD1 ILE 44 3HD1 ILE 44 13.171 4.331 -3.924 291 H CYS 45 H CYS 45 8.880 2.601 -4.256 292 HA CYS 45 HA CYS 45 6.364 4.121 -3.850 293 1HB CYS 45 2HB CYS 45 5.692 2.021 -2.607 294 2HB CYS 45 1HB CYS 45 6.038 1.789 -4.315 295 H ARG 46 H ARG 46 9.401 3.569 -2.372 296 HA ARG 46 HA ARG 46 8.548 5.126 -0.045 297 1HB ARG 46 2HB ARG 46 8.278 2.410 0.197 298 2HB ARG 46 1HB ARG 46 9.909 2.663 0.822 299 1HG ARG 46 2HG ARG 46 9.181 3.920 2.611 300 2HG ARG 46 1HG ARG 46 7.782 4.546 1.736 301 1HD ARG 46 2HD ARG 46 6.487 2.676 2.188 302 2HD ARG 46 1HD ARG 46 7.886 1.617 2.347 303 HE ARG 46 HE ARG 46 7.802 2.079 4.645 304 1HH1 ARG 46 1HH2 ARG 46 5.394 3.948 3.368 305 2HH1 ARG 46 2HH2 ARG 46 5.534 5.255 4.496 306 1HH2 ARG 46 1HH1 ARG 46 8.500 4.100 5.873 307 2HH2 ARG 46 2HH1 ARG 46 7.293 5.341 5.915 308 H ILE 47 H ILE 47 10.390 5.714 1.341 309 HA ILE 47 HA ILE 47 12.926 5.759 -0.229 310 HB ILE 47 HB ILE 47 12.113 7.977 0.298 311 1HG1 ILE 47 2HG1 ILE 47 13.934 8.753 1.906 312 2HG1 ILE 47 1HG1 ILE 47 14.368 7.055 2.098 313 1HG2 ILE 47 1HG2 ILE 47 11.276 6.654 2.735 314 2HG2 ILE 47 2HG2 ILE 47 10.762 8.212 2.088 315 3HG2 ILE 47 3HG2 ILE 47 12.194 8.111 3.112 316 1HD1 ILE 47 1HD1 ILE 47 14.885 8.868 -0.151 317 2HD1 ILE 47 2HD1 ILE 47 14.206 7.317 -0.645 318 3HD1 ILE 47 3HD1 ILE 47 15.699 7.368 0.294 319 H ALA 48 H ALA 48 14.437 4.326 0.471 320 HA ALA 48 HA ALA 48 14.188 2.947 2.980 321 1HB ALA 48 1HB ALA 48 16.515 3.088 1.035 322 2HB ALA 48 2HB ALA 48 15.235 1.880 1.032 323 3HB ALA 48 3HB ALA 48 16.380 1.941 2.369 324 H ARG 49 H ARG 49 16.122 2.915 4.565 325 HA ARG 49 HA ARG 49 16.442 5.500 5.743 326 1HB ARG 49 2HB ARG 49 17.918 2.952 6.212 327 2HB ARG 49 1HB ARG 49 18.006 4.353 7.271 328 1HG ARG 49 2HG ARG 49 15.574 2.654 6.652 329 2HG ARG 49 1HG ARG 49 16.353 2.879 8.219 330 1HD ARG 49 2HD ARG 49 15.781 5.317 8.093 331 2HD ARG 49 1HD ARG 49 14.883 4.989 6.611 332 HE ARG 49 HE ARG 49 13.744 3.227 8.367 333 1HH1 ARG 49 1HH2 ARG 49 15.029 5.933 9.764 334 2HH1 ARG 49 2HH2 ARG 49 13.529 6.623 10.287 335 1HH2 ARG 49 1HH1 ARG 49 11.572 4.390 8.499 336 2HH2 ARG 49 2HH1 ARG 49 11.574 5.750 9.571 337 H GLY 50 H GLY 50 19.336 3.601 5.239 338 1HA GLY 50 2HA GLY 50 20.462 5.592 3.419 339 2HA GLY 50 1HA GLY 50 21.231 5.475 4.998 340 H ASP 51 H ASP 51 21.345 4.329 1.871 341 HA ASP 51 HA ASP 51 22.799 2.759 0.905 342 1HB ASP 51 2HB ASP 51 23.752 2.977 3.582 343 2HB ASP 51 1HB ASP 51 23.745 1.276 3.117 344 H TRP 52 H TRP 52 21.419 1.376 -0.061 345 HA TRP 52 HA TRP 52 21.118 -1.282 0.630 346 1HB TRP 52 2HB TRP 52 18.523 -1.062 1.318 347 2HB TRP 52 1HB TRP 52 19.811 -1.126 2.505 348 HD1 TRP 52 HD1 TRP 52 18.709 0.328 4.289 349 HE1 TRP 52 HE1 TRP 52 18.077 2.802 4.436 350 HE3 TRP 52 HE3 TRP 52 19.258 1.737 -0.598 351 HZ2 TRP 52 HZ2 TRP 52 17.851 5.088 2.719 352 HZ3 TRP 52 HZ3 TRP 52 18.843 4.061 -1.289 353 HH2 TRP 52 HH2 TRP 52 18.137 5.734 0.396 354 H ASN 53 H ASN 53 18.469 -1.863 -0.234 355 HA ASN 53 HA ASN 53 18.604 -0.813 -3.021 356 1HB ASN 53 2HB ASN 53 18.280 -3.421 -1.962 357 2HB ASN 53 1HB ASN 53 16.722 -2.973 -2.657 358 1HD2 ASN 53 1HD2 ASN 53 19.945 -1.886 -3.789 359 2HD2 ASN 53 2HD2 ASN 53 19.820 -2.604 -5.322 360 H ASP 54 H ASP 54 17.134 0.808 -3.403 361 HA ASP 54 HA ASP 54 15.042 1.517 -1.613 362 1HB ASP 54 2HB ASP 54 16.011 2.414 -4.162 363 2HB ASP 54 1HB ASP 54 14.251 2.340 -4.196 364 H ASP 55 H ASP 55 12.788 1.129 -1.701 365 HA ASP 55 HA ASP 55 12.075 -1.494 -2.760 366 1HB ASP 55 2HB ASP 55 11.170 0.121 -0.670 367 2HB ASP 55 1HB ASP 55 9.843 0.092 -1.825 368 H ARG 56 H ARG 56 11.946 -1.476 -4.978 369 HA ARG 56 HA ARG 56 10.465 0.685 -6.348 370 1HB ARG 56 2HB ARG 56 11.858 -1.730 -7.471 371 2HB ARG 56 1HB ARG 56 11.248 -0.368 -8.397 372 1HG ARG 56 2HG ARG 56 13.166 0.163 -6.159 373 2HG ARG 56 1HG ARG 56 13.800 -0.471 -7.678 374 1HD ARG 56 2HD ARG 56 12.900 1.383 -8.919 375 2HD ARG 56 1HD ARG 56 11.986 1.948 -7.520 376 HE ARG 56 HE ARG 56 14.676 1.935 -6.719 377 1HH1 ARG 56 1HH1 ARG 56 12.710 3.366 -9.171 378 2HH1 ARG 56 2HH1 ARG 56 13.661 4.809 -9.271 379 1HH2 ARG 56 1HH2 ARG 56 15.916 3.819 -6.832 380 2HH2 ARG 56 2HH2 ARG 56 15.473 5.066 -7.950 381 H CYS 57 H CYS 57 8.690 0.141 -7.816 382 HA CYS 57 HA CYS 57 7.066 -2.107 -6.759 383 1HB CYS 57 2HB CYS 57 6.112 -0.109 -8.799 384 2HB CYS 57 1HB CYS 57 5.176 -0.990 -7.600 385 H THR 58 H THR 58 5.882 -3.411 -8.437 386 HA THR 58 HA THR 58 7.735 -4.061 -10.657 387 HB THR 58 HB THR 58 6.686 -6.177 -10.736 388 HG1 THR 58 HG1 THR 58 4.646 -6.421 -9.516 389 1HG2 THR 58 1HG2 THR 58 6.574 -6.921 -8.384 390 2HG2 THR 58 2HG2 THR 58 6.490 -5.239 -7.858 391 3HG2 THR 58 3HG2 THR 58 7.948 -5.847 -8.643 392 H GLY 59 H GLY 59 6.313 -4.914 -12.688 393 1HA GLY 59 1HA GLY 59 4.933 -2.521 -13.648 394 2HA GLY 59 2HA GLY 59 5.235 -3.986 -14.582 395 H GLN 60 H GLN 60 3.887 -4.843 -11.633 396 HA GLN 60 HA GLN 60 1.087 -4.479 -12.505 397 1HB GLN 60 2HB GLN 60 2.245 -7.234 -11.984 398 2HB GLN 60 1HB GLN 60 0.576 -6.862 -12.420 399 1HG GLN 60 2HG GLN 60 1.340 -5.935 -14.574 400 2HG GLN 60 1HG GLN 60 3.010 -6.307 -14.144 401 1HE2 GLN 60 1HE2 GLN 60 3.431 -7.970 -15.681 402 2HE2 GLN 60 2HE2 GLN 60 2.564 -9.429 -15.736 403 H SER 61 H SER 61 2.761 -3.593 -10.212 404 HA SER 61 HA SER 61 1.185 -4.906 -8.030 405 1HB SER 61 2HB SER 61 3.446 -5.482 -7.598 406 2HB SER 61 1HB SER 61 4.028 -3.888 -8.070 407 HG SER 61 HG SER 61 3.881 -3.469 -6.015 408 H ALA 62 H ALA 62 -0.163 -3.530 -6.958 409 HA ALA 62 HA ALA 62 0.087 -0.621 -7.517 410 1HB ALA 62 1HB ALA 62 -2.115 -2.407 -7.175 411 2HB ALA 62 2HB ALA 62 -2.164 -0.681 -7.534 412 3HB ALA 62 3HB ALA 62 -2.170 -1.234 -5.861 413 H ASP 63 H ASP 63 0.535 -2.944 -4.967 414 HA ASP 63 HA ASP 63 0.716 -0.740 -2.977 415 1HB ASP 63 2HB ASP 63 1.019 -3.615 -2.269 416 2HB ASP 63 1HB ASP 63 0.376 -2.297 -1.300 417 H CYS 64 H CYS 64 2.558 -1.300 -1.277 418 HA CYS 64 HA CYS 64 5.006 -2.129 -2.769 419 1HB CYS 64 2HB CYS 64 5.003 0.289 -2.812 420 2HB CYS 64 1HB CYS 64 4.625 0.362 -1.091 421 HA PRO 65 HA PRO 65 5.521 -4.419 0.965 422 1HB PRO 65 2HB PRO 65 7.796 -5.673 0.099 423 2HB PRO 65 1HB PRO 65 6.176 -6.183 -0.374 424 1HG PRO 65 2HG PRO 65 8.258 -4.776 -1.960 425 2HG PRO 65 1HG PRO 65 6.901 -5.767 -2.521 426 1HD PRO 65 2HD PRO 65 7.025 -2.932 -2.518 427 2HD PRO 65 1HD PRO 65 5.586 -3.929 -2.824 428 H ARG 66 H ARG 66 6.116 -2.581 2.318 429 HA ARG 66 HA ARG 66 8.567 -1.167 2.157 430 1HB ARG 66 2HB ARG 66 8.125 -0.447 4.436 431 2HB ARG 66 1HB ARG 66 6.597 -0.494 3.553 432 1HG ARG 66 2HG ARG 66 6.650 -3.027 4.498 433 2HG ARG 66 1HG ARG 66 7.549 -2.213 5.780 434 1HD ARG 66 2HD ARG 66 4.940 -1.098 4.755 435 2HD ARG 66 1HD ARG 66 4.974 -2.332 6.015 436 HE ARG 66 HE ARG 66 5.956 -0.733 7.507 437 1HH1 ARG 66 1HH2 ARG 66 4.377 0.682 4.944 438 2HH1 ARG 66 2HH2 ARG 66 5.165 2.220 5.060 439 1HH2 ARG 66 1HH1 ARG 66 7.502 1.146 7.386 440 2HH2 ARG 66 2HH1 ARG 66 6.933 2.482 6.442 441 H TYR 67 H TYR 67 10.544 -2.106 2.225 442 HA TYR 67 HA TYR 67 10.994 -4.635 3.570 443 1HB TYR 67 2HB TYR 67 12.435 -2.899 1.735 444 2HB TYR 67 1HB TYR 67 13.487 -3.600 2.962 445 HD1 TYR 67 HD1 TYR 67 10.371 -5.166 1.711 446 HD2 TYR 67 HD2 TYR 67 14.663 -5.159 1.549 447 HE1 TYR 67 HE1 TYR 67 10.329 -7.331 0.502 448 HE2 TYR 67 HE2 TYR 67 14.623 -7.325 0.342 449 HH TYR 67 HH TYR 67 12.422 -8.485 -1.271 450 H HIS 68 HN HIS 68 12.419 -1.377 3.996 451 HA HIS 68 HA HIS 68 13.207 -2.154 6.750 452 1HB HIS 68 2HB HIS 68 14.464 -0.634 4.788 453 2HB HIS 68 1HB HIS 68 13.856 0.574 5.919 454 HD1 HIS 68 HD1 HIS 68 16.921 -0.545 5.498 455 HD2 HIS 68 HD2 HIS 68 14.339 -1.299 8.683 456 HE1 HIS 68 HE1 HIS 68 18.379 -1.194 7.464 Start of MODEL 15 1 1H GLY 1 1HT GLY 1 -12.156 -13.877 -2.636 2 2H GLY 1 2HT GLY 1 -11.590 -15.340 -1.985 3 3H GLY 1 3HT GLY 1 -10.833 -14.665 -3.347 4 1HA GLY 1 1HA GLY 1 -10.765 -13.708 -0.547 5 2HA GLY 1 2HA GLY 1 -9.408 -14.162 -1.579 6 H LYS 2 H LYS 2 -10.336 -11.536 -0.194 7 HA LYS 2 HA LYS 2 -10.285 -9.242 -0.698 8 1HB LYS 2 2HB LYS 2 -8.671 -10.255 -3.059 9 2HB LYS 2 1HB LYS 2 -8.708 -8.591 -2.477 10 1HG LYS 2 2HG LYS 2 -7.649 -9.178 -0.424 11 2HG LYS 2 1HG LYS 2 -7.913 -10.900 -0.695 12 1HD LYS 2 2HD LYS 2 -6.243 -9.232 -2.583 13 2HD LYS 2 1HD LYS 2 -5.545 -10.009 -1.161 14 1HE LYS 2 2HE LYS 2 -5.528 -12.020 -2.177 15 2HE LYS 2 1HE LYS 2 -7.226 -11.865 -2.628 16 1HZ LYS 2 1HZ LYS 2 -5.754 -12.028 -4.560 17 2HZ LYS 2 2HZ LYS 2 -4.958 -10.607 -4.075 18 3HZ LYS 2 3HZ LYS 2 -6.595 -10.555 -4.530 19 H GLU 3 H GLU 3 -12.624 -9.332 -1.171 20 HA GLU 3 HA GLU 3 -13.230 -9.241 -4.093 21 1HB GLU 3 2HB GLU 3 -15.641 -9.462 -3.272 22 2HB GLU 3 1HB GLU 3 -14.612 -10.874 -3.025 23 1HG GLU 3 2HG GLU 3 -14.689 -10.681 -0.764 24 2HG GLU 3 1HG GLU 3 -14.513 -8.927 -0.819 25 H CYS 4 H CYS 4 -11.992 -7.003 -2.900 26 HA CYS 4 HA CYS 4 -13.996 -4.970 -3.488 27 1HB CYS 4 2HB CYS 4 -14.302 -5.499 -1.035 28 2HB CYS 4 1HB CYS 4 -12.695 -4.852 -0.810 29 H ASP 5 H ASP 5 -12.258 -4.964 -5.176 30 HA ASP 5 HA ASP 5 -9.609 -4.347 -4.978 31 1HB ASP 5 2HB ASP 5 -11.038 -4.362 -7.088 32 2HB ASP 5 1HB ASP 5 -11.448 -2.689 -6.715 33 H CYS 6 H CYS 6 -12.284 -2.164 -4.215 34 HA CYS 6 HA CYS 6 -10.404 -0.495 -2.657 35 1HB CYS 6 2HB CYS 6 -12.296 0.870 -4.564 36 2HB CYS 6 1HB CYS 6 -10.910 1.551 -3.719 37 H SER 7 H SER 7 -11.439 0.502 -0.899 38 HA SER 7 HA SER 7 -14.268 -0.330 -0.491 39 1HB SER 7 2HB SER 7 -11.971 -0.252 1.195 40 2HB SER 7 1HB SER 7 -13.167 0.864 1.843 41 HG SER 7 HG SER 7 -13.275 -1.492 2.423 42 H SER 8 H SER 8 -12.414 2.396 -1.293 43 HA SER 8 HA SER 8 -13.851 4.460 0.060 44 1HB SER 8 2HB SER 8 -13.124 5.593 -2.352 45 2HB SER 8 1HB SER 8 -12.101 5.508 -0.920 46 HG SER 8 HG SER 8 -10.871 4.221 -2.016 47 HA PRO 9 HA PRO 9 -17.645 3.918 -2.244 48 1HB PRO 9 2HB PRO 9 -19.075 5.764 -0.793 49 2HB PRO 9 1HB PRO 9 -18.763 4.110 -0.237 50 1HG PRO 9 2HG PRO 9 -17.522 6.660 0.680 51 2HG PRO 9 1HG PRO 9 -17.729 5.134 1.556 52 1HD PRO 9 2HD PRO 9 -15.331 6.051 0.354 53 2HD PRO 9 1HD PRO 9 -15.641 4.408 0.954 54 H GLU 10 H GLU 10 -15.459 6.372 -2.401 55 HA GLU 10 HA GLU 10 -17.204 7.970 -4.233 56 1HB GLU 10 2HB GLU 10 -15.897 9.961 -3.621 57 2HB GLU 10 1HB GLU 10 -16.635 9.246 -2.186 58 1HG GLU 10 2HG GLU 10 -14.046 8.051 -2.701 59 2HG GLU 10 1HG GLU 10 -13.906 9.805 -2.573 60 H ASN 11 H ASN 11 -14.434 6.039 -3.919 61 HA ASN 11 HA ASN 11 -12.737 7.260 -5.876 62 1HB ASN 11 2HB ASN 11 -12.596 5.043 -4.178 63 2HB ASN 11 1HB ASN 11 -12.529 4.358 -5.803 64 1HD2 ASN 11 1HD2 ASN 11 -10.249 4.419 -3.990 65 2HD2 ASN 11 2HD2 ASN 11 -9.067 5.413 -4.696 66 HA PRO 12 HA PRO 12 -15.262 6.120 -9.379 67 1HB PRO 12 2HB PRO 12 -13.642 7.310 -11.255 68 2HB PRO 12 1HB PRO 12 -14.791 8.206 -10.245 69 1HG PRO 12 2HG PRO 12 -11.820 8.067 -10.037 70 2HG PRO 12 1HG PRO 12 -12.922 9.353 -9.518 71 1HD PRO 12 2HD PRO 12 -11.713 7.422 -7.834 72 2HD PRO 12 1HD PRO 12 -13.056 8.500 -7.394 73 H CYS 13 H CYS 13 -12.084 5.123 -8.636 74 HA CYS 13 HA CYS 13 -11.714 3.494 -11.067 75 1HB CYS 13 2HB CYS 13 -10.107 3.990 -8.571 76 2HB CYS 13 1HB CYS 13 -9.711 2.643 -9.634 77 H CYS 14 H CYS 14 -13.554 3.144 -8.290 78 HA CYS 14 HA CYS 14 -13.603 0.218 -8.746 79 1HB CYS 14 2HB CYS 14 -12.793 1.579 -6.208 80 2HB CYS 14 1HB CYS 14 -13.668 0.050 -6.118 81 H ASP 15 H ASP 15 -15.639 -0.531 -8.755 82 HA ASP 15 HA ASP 15 -17.920 1.116 -8.414 83 1HB ASP 15 2HB ASP 15 -17.573 -1.303 -9.472 84 2HB ASP 15 1HB ASP 15 -18.125 -1.796 -7.876 85 H ALA 16 H ALA 16 -18.911 1.814 -6.580 86 HA ALA 16 HA ALA 16 -17.869 0.961 -3.991 87 1HB ALA 16 1HB ALA 16 -18.958 2.838 -3.101 88 2HB ALA 16 2HB ALA 16 -20.187 2.836 -4.366 89 3HB ALA 16 3HB ALA 16 -18.545 3.364 -4.733 90 H ALA 17 H ALA 17 -19.839 -0.657 -5.873 91 HA ALA 17 HA ALA 17 -21.737 -1.335 -3.658 92 1HB ALA 17 1HB ALA 17 -23.059 -0.445 -5.440 93 2HB ALA 17 2HB ALA 17 -23.221 -2.197 -5.559 94 3HB ALA 17 3HB ALA 17 -22.144 -1.334 -6.657 95 H THR 18 H THR 18 -20.100 -2.666 -6.538 96 HA THR 18 HA THR 18 -20.316 -5.382 -5.441 97 HB THR 18 HB THR 18 -19.602 -4.149 -8.022 98 HG1 THR 18 HG1 THR 18 -20.789 -5.933 -8.731 99 1HG2 THR 18 1HG2 THR 18 -17.495 -5.315 -7.577 100 2HG2 THR 18 2HG2 THR 18 -18.408 -6.175 -8.818 101 3HG2 THR 18 3HG2 THR 18 -18.379 -6.783 -7.162 102 H CYS 19 H CYS 19 -18.390 -2.838 -4.724 103 HA CYS 19 HA CYS 19 -16.209 -2.621 -3.863 104 1HB CYS 19 2HB CYS 19 -17.428 -4.983 -2.767 105 2HB CYS 19 1HB CYS 19 -15.697 -5.209 -2.911 106 H LYS 20 H LYS 20 -15.339 -2.427 -6.050 107 HA LYS 20 HA LYS 20 -13.108 -4.109 -6.526 108 1HB LYS 20 2HB LYS 20 -15.640 -5.020 -7.770 109 2HB LYS 20 1HB LYS 20 -14.231 -4.967 -8.830 110 1HG LYS 20 2HG LYS 20 -13.181 -6.106 -6.560 111 2HG LYS 20 1HG LYS 20 -14.813 -6.779 -6.589 112 1HD LYS 20 2HD LYS 20 -14.493 -7.825 -8.652 113 2HD LYS 20 1HD LYS 20 -13.188 -6.734 -9.116 114 1HE LYS 20 2HE LYS 20 -11.693 -8.231 -8.355 115 2HE LYS 20 1HE LYS 20 -12.364 -8.049 -6.734 116 1HZ LYS 20 1HZ LYS 20 -13.843 -9.803 -7.071 117 2HZ LYS 20 2HZ LYS 20 -12.387 -10.359 -7.744 118 3HZ LYS 20 3HZ LYS 20 -13.632 -9.795 -8.754 119 H LEU 21 H LEU 21 -12.742 -3.914 -9.243 120 HA LEU 21 HA LEU 21 -12.511 -1.008 -9.573 121 1HB LEU 21 2HB LEU 21 -11.562 -3.414 -11.093 122 2HB LEU 21 1HB LEU 21 -11.608 -1.849 -11.904 123 HG LEU 21 HG LEU 21 -10.337 -2.118 -9.190 124 1HD1 LEU 21 1HD1 LEU 21 -8.544 -3.210 -10.005 125 2HD1 LEU 21 2HD1 LEU 21 -8.445 -2.118 -11.387 126 3HD1 LEU 21 3HD1 LEU 21 -9.490 -3.536 -11.456 127 1HD2 LEU 21 1HD2 LEU 21 -10.726 -0.058 -11.154 128 2HD2 LEU 21 2HD2 LEU 21 -8.998 -0.350 -10.953 129 3HD2 LEU 21 3HD2 LEU 21 -9.991 0.069 -9.556 130 H ARG 22 H ARG 22 -13.994 0.212 -10.647 131 HA ARG 22 HA ARG 22 -16.286 -1.177 -11.860 132 1HB ARG 22 2HB ARG 22 -16.885 0.675 -10.489 133 2HB ARG 22 1HB ARG 22 -15.727 1.736 -11.280 134 1HG ARG 22 2HG ARG 22 -17.429 0.673 -13.306 135 2HG ARG 22 1HG ARG 22 -18.455 1.247 -11.991 136 1HD ARG 22 2HD ARG 22 -17.554 3.442 -12.098 137 2HD ARG 22 1HD ARG 22 -16.186 2.916 -13.079 138 HE ARG 22 HE ARG 22 -18.951 2.771 -14.189 139 1HH1 ARG 22 1HH1 ARG 22 -16.317 4.843 -13.935 140 2HH1 ARG 22 2HH1 ARG 22 -16.130 5.098 -15.638 141 1HH2 ARG 22 1HH2 ARG 22 -18.450 2.675 -16.524 142 2HH2 ARG 22 2HH2 ARG 22 -17.339 3.870 -17.104 143 HA PRO 23 HA PRO 23 -14.592 1.055 -15.706 144 1HB PRO 23 2HB PRO 23 -12.101 2.196 -15.542 145 2HB PRO 23 1HB PRO 23 -13.597 3.068 -15.168 146 1HG PRO 23 2HG PRO 23 -11.517 2.036 -13.308 147 2HG PRO 23 1HG PRO 23 -12.680 3.349 -13.071 148 1HD PRO 23 2HD PRO 23 -12.878 0.702 -12.037 149 2HD PRO 23 1HD PRO 23 -14.130 1.957 -11.993 150 H GLY 24 H GLY 24 -12.318 0.778 -17.133 151 1HA GLY 24 2HA GLY 24 -11.652 -2.082 -16.803 152 2HA GLY 24 1HA GLY 24 -11.225 -1.074 -18.188 153 H ALA 25 H ALA 25 -10.640 0.380 -15.166 154 HA ALA 25 HA ALA 25 -7.865 0.716 -15.571 155 1HB ALA 25 1HB ALA 25 -9.429 0.771 -12.974 156 2HB ALA 25 2HB ALA 25 -9.230 2.129 -14.078 157 3HB ALA 25 3HB ALA 25 -7.835 1.475 -13.224 158 H GLN 26 H GLN 26 -6.300 -0.031 -13.663 159 HA GLN 26 HA GLN 26 -6.663 -2.981 -13.338 160 1HB GLN 26 2HB GLN 26 -4.547 -1.495 -14.575 161 2HB GLN 26 1HB GLN 26 -3.910 -2.305 -13.144 162 1HG GLN 26 2HG GLN 26 -3.702 -4.049 -14.627 163 2HG GLN 26 1HG GLN 26 -5.379 -4.319 -14.151 164 1HE2 GLN 26 1HE2 GLN 26 -7.063 -3.190 -15.596 165 2HE2 GLN 26 2HE2 GLN 26 -6.710 -3.042 -17.249 166 H CYS 27 H CYS 27 -6.885 -0.238 -11.656 167 HA CYS 27 HA CYS 27 -6.574 -1.431 -9.100 168 1HB CYS 27 2HB CYS 27 -4.525 -0.417 -8.295 169 2HB CYS 27 1HB CYS 27 -4.151 -1.342 -9.751 170 H GLY 28 H GLY 28 -7.660 -0.168 -7.643 171 1HA GLY 28 2HA GLY 28 -8.245 2.636 -8.494 172 2HA GLY 28 1HA GLY 28 -9.373 1.638 -7.584 173 H GLU 29 H GLU 29 -6.264 1.063 -6.451 174 HA GLU 29 HA GLU 29 -5.784 3.333 -4.799 175 1HB GLU 29 2HB GLU 29 -6.699 2.610 -2.670 176 2HB GLU 29 1HB GLU 29 -8.003 2.648 -3.858 177 1HG GLU 29 2HG GLU 29 -8.433 0.520 -3.215 178 2HG GLU 29 1HG GLU 29 -6.996 0.087 -4.142 179 H GLY 30 H GLY 30 -3.663 3.091 -4.331 180 1HA GLY 30 2HA GLY 30 -2.550 0.872 -2.954 181 2HA GLY 30 1HA GLY 30 -2.223 0.660 -4.675 182 H LEU 31 H LEU 31 -0.026 0.979 -3.119 183 HA LEU 31 HA LEU 31 0.753 3.711 -2.680 184 1HB LEU 31 2HB LEU 31 1.947 1.107 -2.408 185 2HB LEU 31 1HB LEU 31 3.093 2.232 -3.125 186 HG LEU 31 HG LEU 31 1.511 2.705 -0.579 187 1HD1 LEU 31 1HD1 LEU 31 3.756 2.565 0.494 188 2HD1 LEU 31 2HD1 LEU 31 4.442 2.092 -1.061 189 3HD1 LEU 31 3HD1 LEU 31 3.274 1.044 -0.258 190 1HD2 LEU 31 1HD2 LEU 31 3.708 4.472 -0.843 191 2HD2 LEU 31 2HD2 LEU 31 1.995 4.879 -0.932 192 3HD2 LEU 31 3HD2 LEU 31 2.883 4.480 -2.402 193 H CYS 32 H CYS 32 1.263 1.442 -5.369 194 HA CYS 32 HA CYS 32 2.227 3.771 -6.975 195 1HB CYS 32 2HB CYS 32 3.123 1.742 -8.460 196 2HB CYS 32 1HB CYS 32 4.062 2.388 -7.118 197 H CYS 33 H CYS 33 -0.517 3.371 -6.708 198 HA CYS 33 HA CYS 33 -1.303 2.012 -9.245 199 1HB CYS 33 2HB CYS 33 -2.660 1.246 -7.429 200 2HB CYS 33 1HB CYS 33 -2.903 2.880 -6.824 201 H GLU 34 H GLU 34 -1.119 3.434 -10.912 202 HA GLU 34 HA GLU 34 -1.336 6.284 -10.634 203 1HB GLU 34 2HB GLU 34 -0.382 4.619 -12.570 204 2HB GLU 34 1HB GLU 34 -1.896 5.164 -13.287 205 1HG GLU 34 2HG GLU 34 -0.909 7.106 -13.833 206 2HG GLU 34 1HG GLU 34 -0.702 7.447 -12.115 207 H GLN 35 H GLN 35 -2.972 7.272 -12.511 208 HA GLN 35 HA GLN 35 -5.536 7.252 -11.304 209 1HB GLN 35 2HB GLN 35 -6.281 8.455 -13.333 210 2HB GLN 35 1HB GLN 35 -4.746 9.089 -12.737 211 1HG GLN 35 2HG GLN 35 -4.252 6.894 -14.542 212 2HG GLN 35 1HG GLN 35 -5.290 8.087 -15.325 213 1HE2 GLN 35 1HE2 GLN 35 -2.362 7.509 -15.811 214 2HE2 GLN 35 2HE2 GLN 35 -1.571 8.991 -15.566 215 H CYS 36 H CYS 36 -6.167 5.015 -11.110 216 HA CYS 36 HA CYS 36 -7.352 3.113 -11.821 217 1HB CYS 36 2HB CYS 36 -8.073 5.258 -13.699 218 2HB CYS 36 1HB CYS 36 -8.259 3.641 -14.362 219 H LYS 37 H LYS 37 -4.482 3.307 -12.401 220 HA LYS 37 HA LYS 37 -4.357 1.169 -14.391 221 1HB LYS 37 2HB LYS 37 -4.253 3.658 -15.470 222 2HB LYS 37 1HB LYS 37 -2.544 3.401 -15.115 223 1HG LYS 37 2HG LYS 37 -2.462 2.230 -17.048 224 2HG LYS 37 1HG LYS 37 -3.349 0.969 -16.191 225 1HD LYS 37 2HD LYS 37 -5.484 1.988 -16.896 226 2HD LYS 37 1HD LYS 37 -4.599 3.246 -17.758 227 1HE LYS 37 2HE LYS 37 -4.577 0.273 -18.344 228 2HE LYS 37 1HE LYS 37 -5.229 1.555 -19.367 229 1HZ LYS 37 1HZ LYS 37 -2.736 2.411 -19.018 230 2HZ LYS 37 2HZ LYS 37 -3.212 1.423 -20.316 231 3HZ LYS 37 3HZ LYS 37 -2.477 0.737 -18.946 232 H PHE 38 H PHE 38 -2.620 -0.145 -13.943 233 HA PHE 38 HA PHE 38 -1.132 0.094 -11.571 234 1HB PHE 38 2HB PHE 38 -0.576 -1.355 -14.163 235 2HB PHE 38 1HB PHE 38 0.551 -1.438 -12.810 236 HD1 PHE 38 HD1 PHE 38 -1.544 -3.499 -14.244 237 HD2 PHE 38 HD2 PHE 38 -1.316 -1.414 -10.494 238 HE1 PHE 38 HE1 PHE 38 -2.942 -5.251 -13.186 239 HE2 PHE 38 HE2 PHE 38 -2.717 -3.167 -9.438 240 HZ PHE 38 HZ PHE 38 -3.528 -5.084 -10.782 241 H SER 39 H SER 39 0.537 1.431 -11.001 242 HA SER 39 HA SER 39 1.495 3.505 -12.660 243 1HB SER 39 2HB SER 39 2.644 2.203 -10.222 244 2HB SER 39 1HB SER 39 3.463 3.536 -11.017 245 HG SER 39 HG SER 39 0.735 3.786 -10.469 246 H ARG 40 H ARG 40 4.173 3.545 -12.861 247 HA ARG 40 HA ARG 40 4.712 1.323 -14.720 248 1HB ARG 40 2HB ARG 40 6.646 3.536 -14.444 249 2HB ARG 40 1HB ARG 40 6.068 2.735 -15.899 250 1HG ARG 40 2HG ARG 40 3.774 3.929 -15.089 251 2HG ARG 40 1HG ARG 40 4.951 5.083 -14.463 252 1HD ARG 40 2HD ARG 40 5.898 4.475 -17.017 253 2HD ARG 40 1HD ARG 40 4.149 4.580 -17.222 254 HE ARG 40 HE ARG 40 5.237 6.796 -15.675 255 1HH1 ARG 40 1HH2 ARG 40 3.013 6.486 -17.902 256 2HH1 ARG 40 2HH2 ARG 40 3.645 7.593 -19.076 257 1HH2 ARG 40 1HH1 ARG 40 6.763 7.813 -17.577 258 2HH2 ARG 40 2HH1 ARG 40 5.767 8.344 -18.891 259 H ALA 41 H ALA 41 6.316 -0.167 -14.322 260 HA ALA 41 HA ALA 41 7.234 -0.717 -11.751 261 1HB ALA 41 1HB ALA 41 7.838 -2.506 -13.017 262 2HB ALA 41 2HB ALA 41 9.329 -1.611 -13.317 263 3HB ALA 41 3HB ALA 41 8.000 -1.525 -14.473 264 H GLY 42 H GLY 42 9.788 -0.713 -11.264 265 1HA GLY 42 2HA GLY 42 11.596 0.662 -10.668 266 2HA GLY 42 1HA GLY 42 11.314 1.513 -12.184 267 H LYS 43 H LYS 43 8.780 1.126 -9.808 268 HA LYS 43 HA LYS 43 8.782 4.071 -9.454 269 1HB LYS 43 2HB LYS 43 6.652 3.541 -10.163 270 2HB LYS 43 1HB LYS 43 6.692 1.945 -9.424 271 1HG LYS 43 2HG LYS 43 5.111 3.403 -8.236 272 2HG LYS 43 1HG LYS 43 6.465 2.992 -7.186 273 1HD LYS 43 2HD LYS 43 7.380 5.127 -7.306 274 2HD LYS 43 1HD LYS 43 6.620 5.475 -8.860 275 1HE LYS 43 2HE LYS 43 4.412 5.121 -7.331 276 2HE LYS 43 1HE LYS 43 5.524 5.749 -6.116 277 1HZ LYS 43 1HZ LYS 43 4.217 7.125 -8.213 278 2HZ LYS 43 2HZ LYS 43 5.899 7.286 -8.380 279 3HZ LYS 43 3HZ LYS 43 5.138 7.755 -6.935 280 H ILE 44 H ILE 44 9.461 4.903 -7.529 281 HA ILE 44 HA ILE 44 10.178 3.095 -5.358 282 HB ILE 44 HB ILE 44 11.596 5.000 -5.745 283 1HG1 ILE 44 2HG1 ILE 44 11.312 6.241 -3.515 284 2HG1 ILE 44 1HG1 ILE 44 9.902 5.216 -3.246 285 1HG2 ILE 44 1HG2 ILE 44 8.982 6.382 -5.874 286 2HG2 ILE 44 2HG2 ILE 44 10.474 6.702 -6.760 287 3HG2 ILE 44 3HG2 ILE 44 10.286 7.288 -5.106 288 1HD1 ILE 44 1HD1 ILE 44 11.199 3.466 -2.674 289 2HD1 ILE 44 2HD1 ILE 44 12.581 4.561 -2.708 290 3HD1 ILE 44 3HD1 ILE 44 12.155 3.633 -4.145 291 H CYS 45 H CYS 45 8.268 2.191 -4.619 292 HA CYS 45 HA CYS 45 5.970 3.819 -3.837 293 1HB CYS 45 2HB CYS 45 5.188 1.602 -2.852 294 2HB CYS 45 1HB CYS 45 5.456 1.620 -4.593 295 H ARG 46 H ARG 46 8.931 2.955 -2.355 296 HA ARG 46 HA ARG 46 8.040 4.207 0.148 297 1HB ARG 46 2HB ARG 46 8.051 1.352 -0.127 298 2HB ARG 46 1HB ARG 46 9.324 1.816 1.002 299 1HG ARG 46 2HG ARG 46 6.621 3.097 1.246 300 2HG ARG 46 1HG ARG 46 6.858 1.465 1.873 301 1HD ARG 46 2HD ARG 46 8.466 2.161 3.437 302 2HD ARG 46 1HD ARG 46 8.803 3.656 2.565 303 HE ARG 46 HE ARG 46 6.081 3.703 3.411 304 1HH1 ARG 46 1HH2 ARG 46 7.183 2.624 5.926 305 2HH1 ARG 46 2HH2 ARG 46 7.703 4.047 6.765 306 1HH2 ARG 46 1HH1 ARG 46 7.663 6.053 3.938 307 2HH2 ARG 46 2HH1 ARG 46 7.975 5.987 5.640 308 H ILE 47 H ILE 47 9.701 5.489 0.775 309 HA ILE 47 HA ILE 47 12.375 5.087 -0.365 310 HB ILE 47 HB ILE 47 11.579 7.366 -0.171 311 1HG1 ILE 47 2HG1 ILE 47 13.371 8.344 1.259 312 2HG1 ILE 47 1HG1 ILE 47 13.673 6.745 1.937 313 1HG2 ILE 47 1HG2 ILE 47 11.540 7.842 2.612 314 2HG2 ILE 47 2HG2 ILE 47 10.586 6.381 2.358 315 3HG2 ILE 47 3HG2 ILE 47 10.164 7.868 1.509 316 1HD1 ILE 47 1HD1 ILE 47 15.044 7.678 -0.174 317 2HD1 ILE 47 2HD1 ILE 47 13.674 6.973 -1.032 318 3HD1 ILE 47 3HD1 ILE 47 14.669 5.965 0.019 319 H ALA 48 H ALA 48 14.082 4.145 0.689 320 HA ALA 48 HA ALA 48 13.574 2.931 3.295 321 1HB ALA 48 1HB ALA 48 15.974 2.046 2.885 322 2HB ALA 48 2HB ALA 48 15.799 2.744 1.273 323 3HB ALA 48 3HB ALA 48 14.698 1.480 1.811 324 H ARG 49 H ARG 49 15.863 3.006 4.699 325 HA ARG 49 HA ARG 49 15.927 5.580 5.887 326 1HB ARG 49 2HB ARG 49 18.055 3.482 6.012 327 2HB ARG 49 1HB ARG 49 17.828 4.790 7.162 328 1HG ARG 49 2HG ARG 49 16.022 2.418 6.650 329 2HG ARG 49 1HG ARG 49 16.797 2.887 8.163 330 1HD ARG 49 2HD ARG 49 15.373 5.141 7.624 331 2HD ARG 49 1HD ARG 49 14.320 3.921 6.909 332 HE ARG 49 HE ARG 49 14.326 4.401 9.615 333 1HH1 ARG 49 1HH1 ARG 49 12.935 2.034 8.336 334 2HH1 ARG 49 2HH1 ARG 49 13.640 0.710 9.200 335 1HH2 ARG 49 1HH2 ARG 49 16.283 2.583 10.442 336 2HH2 ARG 49 2HH2 ARG 49 15.537 1.020 10.393 337 H GLY 50 H GLY 50 19.025 4.361 4.785 338 1HA GLY 50 2HA GLY 50 19.371 6.876 3.258 339 2HA GLY 50 1HA GLY 50 20.633 6.256 4.304 340 H ASP 51 H ASP 51 21.124 3.744 3.659 341 HA ASP 51 HA ASP 51 21.398 3.712 0.702 342 1HB ASP 51 2HB ASP 51 23.403 3.600 2.757 343 2HB ASP 51 1HB ASP 51 23.441 2.127 1.789 344 H TRP 52 H TRP 52 20.607 1.928 -0.295 345 HA TRP 52 HA TRP 52 20.742 -0.755 0.493 346 1HB TRP 52 2HB TRP 52 18.104 -0.748 1.222 347 2HB TRP 52 1HB TRP 52 19.430 -0.742 2.376 348 HD1 TRP 52 HD1 TRP 52 18.578 0.782 4.214 349 HE1 TRP 52 HE1 TRP 52 17.792 3.215 4.324 350 HE3 TRP 52 HE3 TRP 52 18.284 1.909 -0.765 351 HZ2 TRP 52 HZ2 TRP 52 17.123 5.362 2.553 352 HZ3 TRP 52 HZ3 TRP 52 17.581 4.150 -1.506 353 HH2 TRP 52 HH2 TRP 52 17.003 5.878 0.173 354 H ASN 53 H ASN 53 18.177 -1.698 -0.252 355 HA ASN 53 HA ASN 53 18.089 -0.802 -3.085 356 1HB ASN 53 2HB ASN 53 17.878 -3.337 -1.813 357 2HB ASN 53 1HB ASN 53 16.293 -2.978 -2.497 358 1HD2 ASN 53 1HD2 ASN 53 16.902 -4.811 -4.055 359 2HD2 ASN 53 2HD2 ASN 53 17.835 -4.415 -5.417 360 H ASP 54 H ASP 54 16.684 0.928 -3.262 361 HA ASP 54 HA ASP 54 14.594 1.530 -1.450 362 1HB ASP 54 2HB ASP 54 15.396 2.425 -4.132 363 2HB ASP 54 1HB ASP 54 13.692 2.654 -3.763 364 H ASP 55 H ASP 55 12.261 1.339 -1.762 365 HA ASP 55 HA ASP 55 11.522 -1.295 -2.781 366 1HB ASP 55 2HB ASP 55 10.470 0.592 -0.923 367 2HB ASP 55 1HB ASP 55 9.229 0.255 -2.122 368 H ARG 56 H ARG 56 11.302 -1.514 -4.952 369 HA ARG 56 HA ARG 56 10.150 0.732 -6.537 370 1HB ARG 56 2HB ARG 56 12.324 -0.995 -6.959 371 2HB ARG 56 1HB ARG 56 11.073 -1.546 -8.073 372 1HG ARG 56 2HG ARG 56 12.504 0.218 -9.076 373 2HG ARG 56 1HG ARG 56 10.818 0.713 -8.953 374 1HD ARG 56 2HD ARG 56 12.702 2.361 -8.164 375 2HD ARG 56 1HD ARG 56 11.236 2.191 -7.199 376 HE ARG 56 HE ARG 56 12.501 0.860 -5.601 377 1HH1 ARG 56 1HH2 ARG 56 14.233 3.311 -6.724 378 2HH1 ARG 56 2HH2 ARG 56 15.797 2.572 -6.653 379 1HH2 ARG 56 1HH1 ARG 56 14.552 -0.630 -6.174 380 2HH2 ARG 56 2HH1 ARG 56 15.977 0.339 -6.340 381 H CYS 57 H CYS 57 8.385 0.292 -7.982 382 HA CYS 57 HA CYS 57 6.774 -2.082 -7.185 383 1HB CYS 57 2HB CYS 57 6.090 0.631 -8.285 384 2HB CYS 57 1HB CYS 57 5.006 -0.719 -8.612 385 H THR 58 H THR 58 5.648 -3.201 -8.977 386 HA THR 58 HA THR 58 7.447 -3.471 -11.307 387 HB THR 58 HB THR 58 6.595 -5.603 -11.544 388 HG1 THR 58 HG1 THR 58 4.434 -6.092 -11.106 389 1HG2 THR 58 1HG2 THR 58 5.407 -5.555 -8.847 390 2HG2 THR 58 2HG2 THR 58 7.030 -4.872 -8.935 391 3HG2 THR 58 3HG2 THR 58 6.739 -6.527 -9.472 392 H GLY 59 H GLY 59 6.242 -3.808 -13.486 393 1HA GLY 59 2HA GLY 59 4.731 -1.405 -14.037 394 2HA GLY 59 1HA GLY 59 5.050 -2.703 -15.188 395 H GLN 60 H GLN 60 3.836 -4.507 -12.908 396 HA GLN 60 HA GLN 60 0.989 -3.937 -13.627 397 1HB GLN 60 2HB GLN 60 2.101 -6.685 -13.040 398 2HB GLN 60 1HB GLN 60 0.569 -6.272 -13.812 399 1HG GLN 60 2HG GLN 60 1.954 -5.174 -15.658 400 2HG GLN 60 1HG GLN 60 3.355 -5.975 -14.948 401 1HE2 GLN 60 1HE2 GLN 60 3.718 -8.118 -15.591 402 2HE2 GLN 60 2HE2 GLN 60 2.586 -9.082 -16.410 403 H SER 61 H SER 61 2.835 -3.363 -11.182 404 HA SER 61 HA SER 61 1.080 -4.658 -9.136 405 1HB SER 61 2HB SER 61 3.649 -4.999 -9.104 406 2HB SER 61 1HB SER 61 3.725 -3.329 -8.553 407 HG SER 61 HG SER 61 1.941 -4.261 -7.041 408 H ALA 62 H ALA 62 -0.138 -3.337 -7.826 409 HA ALA 62 HA ALA 62 0.197 -0.391 -8.230 410 1HB ALA 62 1HB ALA 62 -1.978 -0.681 -8.900 411 2HB ALA 62 2HB ALA 62 -2.278 -0.596 -7.164 412 3HB ALA 62 3HB ALA 62 -2.175 -2.164 -7.966 413 H ASP 63 H ASP 63 0.655 -2.871 -6.007 414 HA ASP 63 HA ASP 63 0.348 -1.001 -3.702 415 1HB ASP 63 2HB ASP 63 0.750 -3.939 -3.393 416 2HB ASP 63 1HB ASP 63 -0.063 -2.816 -2.309 417 H CYS 64 H CYS 64 2.042 -2.106 -1.878 418 HA CYS 64 HA CYS 64 4.652 -2.536 -3.180 419 1HB CYS 64 2HB CYS 64 4.434 -0.081 -3.029 420 2HB CYS 64 1HB CYS 64 4.181 -0.214 -1.291 421 HA PRO 65 HA PRO 65 4.796 -5.078 0.420 422 1HB PRO 65 2HB PRO 65 7.051 -6.401 -0.385 423 2HB PRO 65 1HB PRO 65 5.440 -6.783 -0.993 424 1HG PRO 65 2HG PRO 65 7.700 -5.423 -2.353 425 2HG PRO 65 1HG PRO 65 6.309 -6.261 -3.058 426 1HD PRO 65 2HD PRO 65 6.655 -3.444 -2.800 427 2HD PRO 65 1HD PRO 65 5.190 -4.293 -3.336 428 H ARG 66 H ARG 66 5.729 -4.507 2.373 429 HA ARG 66 HA ARG 66 7.824 -2.545 2.529 430 1HB ARG 66 2HB ARG 66 6.906 -4.434 4.713 431 2HB ARG 66 1HB ARG 66 7.711 -2.879 4.926 432 1HG ARG 66 2HG ARG 66 5.796 -1.722 3.920 433 2HG ARG 66 1HG ARG 66 4.994 -3.268 3.635 434 1HD ARG 66 2HD ARG 66 4.278 -3.406 5.775 435 2HD ARG 66 1HD ARG 66 5.856 -2.945 6.414 436 HE ARG 66 HE ARG 66 4.931 -0.811 6.738 437 1HH1 ARG 66 1HH2 ARG 66 2.190 -1.990 5.975 438 2HH1 ARG 66 2HH2 ARG 66 1.688 -0.864 4.757 439 1HH2 ARG 66 1HH1 ARG 66 4.855 0.480 4.319 440 2HH2 ARG 66 2HH1 ARG 66 3.197 0.534 3.820 441 H TYR 67 H TYR 67 10.037 -2.846 3.075 442 HA TYR 67 HA TYR 67 11.213 -5.315 3.815 443 1HB TYR 67 2HB TYR 67 10.481 -6.101 1.628 444 2HB TYR 67 1HB TYR 67 11.290 -4.740 0.868 445 HD1 TYR 67 HD1 TYR 67 12.626 -6.606 3.768 446 HD2 TYR 67 HD2 TYR 67 12.862 -5.981 -0.475 447 HE1 TYR 67 HE1 TYR 67 14.741 -7.898 3.696 448 HE2 TYR 67 HE2 TYR 67 14.978 -7.274 -0.548 449 HH TYR 67 HH TYR 67 16.903 -7.768 1.546 450 H HIS 68 HN HIS 68 11.501 -2.466 4.330 451 HA HIS 68 HA HIS 68 14.299 -2.038 3.355 452 1HB HIS 68 2HB HIS 68 13.886 0.376 3.963 453 2HB HIS 68 1HB HIS 68 12.870 -0.219 2.651 454 HD1 HIS 68 HD1 HIS 68 10.383 -1.013 3.406 455 HD2 HIS 68 HD2 HIS 68 12.462 1.348 6.143 456 HE1 HIS 68 HE1 HIS 68 8.665 -0.131 5.044 Start of MODEL 16 1 1H GLY 1 1HT GLY 1 -6.716 -14.036 -5.872 2 2H GLY 1 2HT GLY 1 -7.920 -13.215 -6.747 3 3H GLY 1 3HT GLY 1 -8.157 -13.576 -5.103 4 1HA GLY 1 1HA GLY 1 -5.798 -12.152 -5.200 5 2HA GLY 1 2HA GLY 1 -6.916 -11.315 -6.276 6 H LYS 2 H LYS 2 -8.195 -9.849 -5.276 7 HA LYS 2 HA LYS 2 -9.112 -10.416 -2.498 8 1HB LYS 2 2HB LYS 2 -7.755 -7.893 -3.477 9 2HB LYS 2 1HB LYS 2 -8.716 -7.949 -2.000 10 1HG LYS 2 2HG LYS 2 -7.237 -9.469 -0.955 11 2HG LYS 2 1HG LYS 2 -6.473 -9.907 -2.483 12 1HD LYS 2 2HD LYS 2 -6.344 -7.035 -1.756 13 2HD LYS 2 1HD LYS 2 -5.392 -8.126 -0.750 14 1HE LYS 2 2HE LYS 2 -3.835 -7.859 -2.400 15 2HE LYS 2 1HE LYS 2 -4.789 -9.100 -3.211 16 1HZ LYS 2 1HZ LYS 2 -4.536 -7.333 -4.731 17 2HZ LYS 2 2HZ LYS 2 -4.952 -6.163 -3.571 18 3HZ LYS 2 3HZ LYS 2 -6.131 -7.233 -4.164 19 H GLU 3 H GLU 3 -11.262 -9.947 -2.239 20 HA GLU 3 HA GLU 3 -12.695 -8.819 -4.561 21 1HB GLU 3 2HB GLU 3 -14.712 -9.573 -3.449 22 2HB GLU 3 1HB GLU 3 -13.518 -10.869 -3.354 23 1HG GLU 3 2HG GLU 3 -12.889 -9.609 -1.082 24 2HG GLU 3 1HG GLU 3 -14.576 -9.106 -1.192 25 H CYS 4 H CYS 4 -11.405 -6.725 -3.863 26 HA CYS 4 HA CYS 4 -13.273 -4.799 -2.937 27 1HB CYS 4 2HB CYS 4 -11.565 -6.043 -0.865 28 2HB CYS 4 1HB CYS 4 -11.647 -4.295 -0.836 29 H ASP 5 H ASP 5 -11.635 -4.840 -5.110 30 HA ASP 5 HA ASP 5 -9.075 -3.885 -5.147 31 1HB ASP 5 2HB ASP 5 -10.744 -4.076 -7.108 32 2HB ASP 5 1HB ASP 5 -11.195 -2.416 -6.718 33 H CYS 6 H CYS 6 -11.909 -2.109 -4.082 34 HA CYS 6 HA CYS 6 -10.123 -0.111 -2.811 35 1HB CYS 6 2HB CYS 6 -12.528 0.735 -4.450 36 2HB CYS 6 1HB CYS 6 -11.326 1.781 -3.691 37 H SER 7 H SER 7 -11.126 0.897 -0.965 38 HA SER 7 HA SER 7 -13.632 -0.493 -0.099 39 1HB SER 7 2HB SER 7 -12.842 -0.375 2.160 40 2HB SER 7 1HB SER 7 -11.495 -0.968 1.192 41 HG SER 7 HG SER 7 -11.601 1.191 2.725 42 H SER 8 H SER 8 -13.375 2.085 -1.622 43 HA SER 8 HA SER 8 -14.604 3.881 0.426 44 1HB SER 8 2HB SER 8 -12.493 4.358 -1.423 45 2HB SER 8 1HB SER 8 -13.870 5.337 -1.911 46 HG SER 8 HG SER 8 -13.088 5.179 0.790 47 HA PRO 9 HA PRO 9 -18.225 3.354 -2.099 48 1HB PRO 9 2HB PRO 9 -19.829 5.037 -0.633 49 2HB PRO 9 1HB PRO 9 -19.433 3.382 -0.136 50 1HG PRO 9 2HG PRO 9 -18.401 5.962 0.942 51 2HG PRO 9 1HG PRO 9 -18.539 4.388 1.740 52 1HD PRO 9 2HD PRO 9 -16.164 5.517 0.679 53 2HD PRO 9 1HD PRO 9 -16.382 3.833 1.202 54 H GLU 10 H GLU 10 -16.184 5.908 -2.139 55 HA GLU 10 HA GLU 10 -17.960 7.456 -3.981 56 1HB GLU 10 2HB GLU 10 -17.295 8.467 -1.598 57 2HB GLU 10 1HB GLU 10 -15.816 8.886 -2.463 58 1HG GLU 10 2HG GLU 10 -17.019 10.157 -4.096 59 2HG GLU 10 1HG GLU 10 -18.570 9.527 -3.541 60 H ASN 11 H ASN 11 -15.699 5.367 -4.221 61 HA ASN 11 HA ASN 11 -13.612 6.890 -5.590 62 1HB ASN 11 2HB ASN 11 -13.531 4.569 -4.204 63 2HB ASN 11 1HB ASN 11 -13.697 3.938 -5.843 64 1HD2 ASN 11 1HD2 ASN 11 -11.389 3.158 -5.495 65 2HD2 ASN 11 2HD2 ASN 11 -10.122 4.252 -5.769 66 HA PRO 12 HA PRO 12 -15.818 6.471 -9.449 67 1HB PRO 12 2HB PRO 12 -13.957 7.813 -10.960 68 2HB PRO 12 1HB PRO 12 -15.140 8.626 -9.922 69 1HG PRO 12 2HG PRO 12 -12.216 8.236 -9.485 70 2HG PRO 12 1HG PRO 12 -13.286 9.503 -8.862 71 1HD PRO 12 2HD PRO 12 -12.363 7.247 -7.416 72 2HD PRO 12 1HD PRO 12 -13.668 8.346 -6.922 73 H CYS 13 H CYS 13 -13.127 4.841 -8.451 74 HA CYS 13 HA CYS 13 -12.823 3.459 -11.087 75 1HB CYS 13 2HB CYS 13 -10.839 4.792 -9.574 76 2HB CYS 13 1HB CYS 13 -10.536 3.064 -9.410 77 H CYS 14 H CYS 14 -14.489 2.926 -8.508 78 HA CYS 14 HA CYS 14 -13.948 0.061 -8.575 79 1HB CYS 14 2HB CYS 14 -13.155 1.740 -6.234 80 2HB CYS 14 1HB CYS 14 -13.819 0.136 -5.927 81 H ASP 15 H ASP 15 -15.766 -1.104 -8.096 82 HA ASP 15 HA ASP 15 -18.254 0.324 -7.643 83 1HB ASP 15 2HB ASP 15 -17.810 -1.883 -8.974 84 2HB ASP 15 1HB ASP 15 -17.963 -2.635 -7.392 85 H ALA 16 H ALA 16 -19.421 0.433 -5.717 86 HA ALA 16 HA ALA 16 -17.921 -0.183 -3.282 87 1HB ALA 16 1HB ALA 16 -20.353 1.413 -3.964 88 2HB ALA 16 2HB ALA 16 -18.930 1.883 -3.033 89 3HB ALA 16 3HB ALA 16 -20.163 0.853 -2.302 90 H ALA 17 H ALA 17 -20.595 -1.510 -5.079 91 HA ALA 17 HA ALA 17 -21.612 -3.070 -2.816 92 1HB ALA 17 1HB ALA 17 -22.474 -2.438 -5.494 93 2HB ALA 17 2HB ALA 17 -23.414 -3.103 -4.158 94 3HB ALA 17 3HB ALA 17 -22.538 -4.183 -5.244 95 H THR 18 H THR 18 -19.728 -3.761 -5.772 96 HA THR 18 HA THR 18 -19.355 -6.555 -4.898 97 HB THR 18 HB THR 18 -18.062 -6.755 -7.026 98 HG1 THR 18 HG1 THR 18 -18.670 -4.617 -8.290 99 1HG2 THR 18 1HG2 THR 18 -20.696 -6.787 -6.727 100 2HG2 THR 18 2HG2 THR 18 -19.972 -6.867 -8.333 101 3HG2 THR 18 3HG2 THR 18 -20.602 -5.336 -7.725 102 H CYS 19 H CYS 19 -17.697 -3.542 -4.619 103 HA CYS 19 HA CYS 19 -15.638 -3.040 -3.591 104 1HB CYS 19 2HB CYS 19 -16.475 -5.398 -2.344 105 2HB CYS 19 1HB CYS 19 -14.845 -5.727 -2.876 106 H LYS 20 H LYS 20 -15.101 -2.842 -5.995 107 HA LYS 20 HA LYS 20 -12.569 -4.122 -6.506 108 1HB LYS 20 2HB LYS 20 -15.020 -5.348 -7.616 109 2HB LYS 20 1HB LYS 20 -13.733 -5.070 -8.788 110 1HG LYS 20 2HG LYS 20 -12.483 -6.096 -6.468 111 2HG LYS 20 1HG LYS 20 -13.903 -7.102 -6.755 112 1HD LYS 20 2HD LYS 20 -13.112 -7.888 -8.768 113 2HD LYS 20 1HD LYS 20 -12.243 -6.396 -9.128 114 1HE LYS 20 2HE LYS 20 -10.560 -6.975 -7.401 115 2HE LYS 20 1HE LYS 20 -11.414 -8.486 -7.092 116 1HZ LYS 20 1HZ LYS 20 -10.499 -9.419 -8.872 117 2HZ LYS 20 2HZ LYS 20 -9.456 -8.079 -8.959 118 3HZ LYS 20 3HZ LYS 20 -10.890 -8.105 -9.870 119 H LEU 21 H LEU 21 -12.529 -3.807 -9.327 120 HA LEU 21 HA LEU 21 -12.577 -0.870 -9.454 121 1HB LEU 21 2HB LEU 21 -11.526 -3.071 -11.201 122 2HB LEU 21 1HB LEU 21 -11.770 -1.466 -11.895 123 HG LEU 21 HG LEU 21 -10.295 -1.798 -9.296 124 1HD1 LEU 21 1HD1 LEU 21 -9.106 -3.255 -10.815 125 2HD1 LEU 21 2HD1 LEU 21 -8.193 -1.750 -10.693 126 3HD1 LEU 21 3HD1 LEU 21 -9.202 -2.059 -12.106 127 1HD2 LEU 21 1HD2 LEU 21 -10.160 0.429 -9.502 128 2HD2 LEU 21 2HD2 LEU 21 -11.030 0.352 -11.034 129 3HD2 LEU 21 3HD2 LEU 21 -9.271 0.222 -11.010 130 H ARG 22 H ARG 22 -14.170 0.309 -10.406 131 HA ARG 22 HA ARG 22 -16.504 -1.090 -11.486 132 1HB ARG 22 2HB ARG 22 -16.033 1.411 -10.261 133 2HB ARG 22 1HB ARG 22 -16.578 1.767 -11.900 134 1HG ARG 22 2HG ARG 22 -18.064 -0.376 -10.489 135 2HG ARG 22 1HG ARG 22 -18.281 1.254 -9.851 136 1HD ARG 22 2HD ARG 22 -19.072 2.078 -11.943 137 2HD ARG 22 1HD ARG 22 -18.528 0.637 -12.800 138 HE ARG 22 HE ARG 22 -20.463 -0.047 -10.768 139 1HH1 ARG 22 1HH1 ARG 22 -20.422 -1.272 -13.482 140 2HH1 ARG 22 2HH1 ARG 22 -21.826 -0.582 -14.225 141 1HH2 ARG 22 1HH2 ARG 22 -22.130 1.971 -11.899 142 2HH2 ARG 22 2HH2 ARG 22 -22.795 1.253 -13.329 143 HA PRO 23 HA PRO 23 -15.102 1.143 -15.459 144 1HB PRO 23 2HB PRO 23 -12.715 2.500 -15.394 145 2HB PRO 23 1HB PRO 23 -14.274 3.242 -14.993 146 1HG PRO 23 2HG PRO 23 -12.064 2.424 -13.173 147 2HG PRO 23 1HG PRO 23 -13.317 3.653 -12.934 148 1HD PRO 23 2HD PRO 23 -13.286 1.043 -11.817 149 2HD PRO 23 1HD PRO 23 -14.655 2.175 -11.805 150 H GLY 24 H GLY 24 -12.750 1.138 -16.881 151 1HA GLY 24 2HA GLY 24 -11.896 -1.685 -16.616 152 2HA GLY 24 1HA GLY 24 -11.608 -0.648 -18.014 153 H ALA 25 H ALA 25 -10.961 0.888 -15.044 154 HA ALA 25 HA ALA 25 -8.207 1.288 -15.626 155 1HB ALA 25 1HB ALA 25 -9.540 2.744 -14.113 156 2HB ALA 25 2HB ALA 25 -8.044 2.196 -13.355 157 3HB ALA 25 3HB ALA 25 -9.579 1.442 -12.925 158 H GLN 26 H GLN 26 -6.481 0.615 -13.856 159 HA GLN 26 HA GLN 26 -6.790 -2.330 -13.451 160 1HB GLN 26 2HB GLN 26 -4.683 -0.723 -14.599 161 2HB GLN 26 1HB GLN 26 -4.071 -1.660 -13.238 162 1HG GLN 26 2HG GLN 26 -4.370 -3.651 -14.310 163 2HG GLN 26 1HG GLN 26 -5.872 -3.125 -15.070 164 1HE2 GLN 26 1HE2 GLN 26 -5.255 -1.031 -16.651 165 2HE2 GLN 26 2HE2 GLN 26 -4.016 -1.402 -17.751 166 H CYS 27 H CYS 27 -7.057 0.417 -11.745 167 HA CYS 27 HA CYS 27 -6.737 -0.804 -9.200 168 1HB CYS 27 2HB CYS 27 -4.692 0.265 -8.403 169 2HB CYS 27 1HB CYS 27 -4.326 -0.713 -9.825 170 H GLY 28 H GLY 28 -8.033 0.384 -7.883 171 1HA GLY 28 2HA GLY 28 -8.693 3.155 -8.708 172 2HA GLY 28 1HA GLY 28 -9.614 2.181 -7.566 173 H GLU 29 H GLU 29 -6.724 1.495 -6.490 174 HA GLU 29 HA GLU 29 -5.736 3.931 -5.339 175 1HB GLU 29 2HB GLU 29 -6.547 3.650 -3.048 176 2HB GLU 29 1HB GLU 29 -7.911 3.820 -4.148 177 1HG GLU 29 2HG GLU 29 -8.689 1.926 -3.172 178 2HG GLU 29 1HG GLU 29 -7.493 1.099 -4.169 179 H GLY 30 H GLY 30 -3.659 3.469 -4.803 180 1HA GLY 30 2HA GLY 30 -2.824 1.240 -3.247 181 2HA GLY 30 1HA GLY 30 -2.558 0.858 -4.949 182 H LEU 31 H LEU 31 -0.348 1.073 -3.282 183 HA LEU 31 HA LEU 31 0.801 3.667 -3.084 184 1HB LEU 31 2HB LEU 31 1.649 0.962 -2.693 185 2HB LEU 31 1HB LEU 31 2.896 1.844 -3.566 186 HG LEU 31 HG LEU 31 3.115 1.995 -1.068 187 1HD1 LEU 31 1HD1 LEU 31 2.512 4.573 -2.550 188 2HD1 LEU 31 2HD1 LEU 31 4.064 3.737 -2.518 189 3HD1 LEU 31 3HD1 LEU 31 3.420 4.460 -1.044 190 1HD2 LEU 31 1HD2 LEU 31 1.377 2.633 0.233 191 2HD2 LEU 31 2HD2 LEU 31 0.362 2.389 -1.189 192 3HD2 LEU 31 3HD2 LEU 31 0.994 3.994 -0.821 193 H CYS 32 H CYS 32 1.365 1.153 -5.561 194 HA CYS 32 HA CYS 32 2.500 3.258 -7.331 195 1HB CYS 32 2HB CYS 32 2.432 0.396 -8.172 196 2HB CYS 32 1HB CYS 32 3.698 1.600 -8.395 197 H CYS 33 H CYS 33 -0.286 3.402 -6.974 198 HA CYS 33 HA CYS 33 -1.347 2.186 -9.482 199 1HB CYS 33 2HB CYS 33 -2.742 1.587 -7.643 200 2HB CYS 33 1HB CYS 33 -2.723 3.221 -6.994 201 H GLU 34 H GLU 34 -0.722 3.663 -11.044 202 HA GLU 34 HA GLU 34 -0.694 6.494 -10.761 203 1HB GLU 34 2HB GLU 34 0.023 4.723 -12.726 204 2HB GLU 34 1HB GLU 34 -1.396 5.489 -13.428 205 1HG GLU 34 2HG GLU 34 -0.441 7.686 -13.161 206 2HG GLU 34 1HG GLU 34 0.898 7.040 -12.210 207 H GLN 35 H GLN 35 -2.307 7.620 -12.700 208 HA GLN 35 HA GLN 35 -4.807 7.873 -11.389 209 1HB GLN 35 2HB GLN 35 -3.829 8.562 -14.152 210 2HB GLN 35 1HB GLN 35 -5.531 8.768 -13.742 211 1HG GLN 35 2HG GLN 35 -4.675 10.045 -11.662 212 2HG GLN 35 1HG GLN 35 -3.131 10.122 -12.513 213 1HE2 GLN 35 1HE2 GLN 35 -3.220 12.411 -12.955 214 2HE2 GLN 35 2HE2 GLN 35 -4.367 13.088 -14.007 215 H CYS 36 H CYS 36 -5.627 5.741 -11.020 216 HA CYS 36 HA CYS 36 -6.796 3.777 -11.551 217 1HB CYS 36 2HB CYS 36 -7.676 5.728 -13.677 218 2HB CYS 36 1HB CYS 36 -8.291 4.079 -13.651 219 H LYS 37 H LYS 37 -4.146 3.622 -12.277 220 HA LYS 37 HA LYS 37 -4.280 1.748 -14.529 221 1HB LYS 37 2HB LYS 37 -3.468 4.457 -14.964 222 2HB LYS 37 1HB LYS 37 -2.042 3.428 -15.114 223 1HG LYS 37 2HG LYS 37 -2.830 3.176 -17.253 224 2HG LYS 37 1HG LYS 37 -3.813 1.926 -16.490 225 1HD LYS 37 2HD LYS 37 -5.631 3.044 -17.219 226 2HD LYS 37 1HD LYS 37 -5.228 4.303 -16.051 227 1HE LYS 37 2HE LYS 37 -4.027 4.189 -18.828 228 2HE LYS 37 1HE LYS 37 -5.485 5.106 -18.449 229 1HZ LYS 37 1HZ LYS 37 -3.500 6.484 -18.317 230 2HZ LYS 37 2HZ LYS 37 -2.841 5.452 -17.140 231 3HZ LYS 37 3HZ LYS 37 -4.244 6.347 -16.799 232 H PHE 38 H PHE 38 -2.337 0.413 -14.625 233 HA PHE 38 HA PHE 38 -1.106 0.034 -12.024 234 1HB PHE 38 2HB PHE 38 -1.029 -1.311 -14.662 235 2HB PHE 38 1HB PHE 38 0.427 -1.474 -13.686 236 HD1 PHE 38 HD1 PHE 38 -2.262 -3.302 -14.453 237 HD2 PHE 38 HD2 PHE 38 -0.518 -1.518 -10.958 238 HE1 PHE 38 HE1 PHE 38 -3.383 -4.996 -13.030 239 HE2 PHE 38 HE2 PHE 38 -1.637 -3.211 -9.533 240 HZ PHE 38 HZ PHE 38 -3.070 -4.949 -10.569 241 H SER 39 H SER 39 0.624 1.167 -11.275 242 HA SER 39 HA SER 39 2.072 3.065 -12.796 243 1HB SER 39 2HB SER 39 2.700 1.603 -10.259 244 2HB SER 39 1HB SER 39 3.856 2.722 -10.960 245 HG SER 39 HG SER 39 2.264 4.328 -10.844 246 H ARG 40 H ARG 40 4.450 2.864 -13.398 247 HA ARG 40 HA ARG 40 4.842 0.262 -14.714 248 1HB ARG 40 2HB ARG 40 6.745 1.456 -15.863 249 2HB ARG 40 1HB ARG 40 5.167 2.196 -16.139 250 1HG ARG 40 2HG ARG 40 5.893 4.127 -15.248 251 2HG ARG 40 1HG ARG 40 6.288 3.299 -13.740 252 1HD ARG 40 2HD ARG 40 8.497 2.820 -14.449 253 2HD ARG 40 1HD ARG 40 8.117 3.162 -16.137 254 HE ARG 40 HE ARG 40 8.518 5.209 -14.016 255 1HH1 ARG 40 1HH2 ARG 40 10.371 5.214 -16.277 256 2HH1 ARG 40 2HH2 ARG 40 9.673 6.363 -17.369 257 1HH2 ARG 40 1HH1 ARG 40 6.554 6.304 -15.860 258 2HH2 ARG 40 2HH1 ARG 40 7.513 6.979 -17.134 259 H ALA 41 H ALA 41 6.965 -0.832 -14.502 260 HA ALA 41 HA ALA 41 7.792 -1.228 -11.848 261 1HB ALA 41 1HB ALA 41 9.913 -2.153 -12.851 262 2HB ALA 41 2HB ALA 41 9.362 -1.563 -14.419 263 3HB ALA 41 3HB ALA 41 8.441 -2.805 -13.570 264 H GLY 42 H GLY 42 10.322 -0.783 -11.294 265 1HA GLY 42 2HA GLY 42 11.834 0.888 -10.629 266 2HA GLY 42 1HA GLY 42 11.438 1.693 -12.143 267 H LYS 43 H LYS 43 8.915 0.892 -9.820 268 HA LYS 43 HA LYS 43 8.470 3.809 -9.507 269 1HB LYS 43 2HB LYS 43 6.539 2.592 -10.297 270 2HB LYS 43 1HB LYS 43 6.681 1.440 -8.973 271 1HG LYS 43 2HG LYS 43 4.978 2.956 -8.289 272 2HG LYS 43 1HG LYS 43 6.414 3.445 -7.398 273 1HD LYS 43 2HD LYS 43 6.657 5.395 -8.575 274 2HD LYS 43 1HD LYS 43 6.038 4.691 -10.069 275 1HE LYS 43 2HE LYS 43 4.121 5.805 -9.630 276 2HE LYS 43 1HE LYS 43 3.846 4.604 -8.369 277 1HZ LYS 43 1HZ LYS 43 5.568 6.347 -7.213 278 2HZ LYS 43 2HZ LYS 43 3.885 6.327 -6.982 279 3HZ LYS 43 3HZ LYS 43 4.576 7.369 -8.133 280 H ILE 44 H ILE 44 9.117 4.767 -7.646 281 HA ILE 44 HA ILE 44 9.970 3.142 -5.378 282 HB ILE 44 HB ILE 44 11.270 5.085 -5.738 283 1HG1 ILE 44 2HG1 ILE 44 10.806 6.517 -3.725 284 2HG1 ILE 44 1HG1 ILE 44 9.286 5.650 -3.510 285 1HG2 ILE 44 1HG2 ILE 44 9.851 7.357 -5.588 286 2HG2 ILE 44 2HG2 ILE 44 8.605 6.302 -6.255 287 3HG2 ILE 44 3HG2 ILE 44 10.129 6.520 -7.114 288 1HD1 ILE 44 1HD1 ILE 44 12.060 4.424 -3.480 289 2HD1 ILE 44 2HD1 ILE 44 10.554 3.517 -3.346 290 3HD1 ILE 44 3HD1 ILE 44 11.010 4.660 -2.082 291 H CYS 45 H CYS 45 8.213 2.137 -4.437 292 HA CYS 45 HA CYS 45 5.767 3.662 -3.806 293 1HB CYS 45 2HB CYS 45 5.064 1.446 -2.783 294 2HB CYS 45 1HB CYS 45 5.386 1.415 -4.508 295 H ARG 46 H ARG 46 8.759 3.048 -2.332 296 HA ARG 46 HA ARG 46 7.922 4.375 0.111 297 1HB ARG 46 2HB ARG 46 7.217 1.828 0.247 298 2HB ARG 46 1HB ARG 46 8.928 1.596 0.608 299 1HG ARG 46 2HG ARG 46 8.669 2.398 2.699 300 2HG ARG 46 1HG ARG 46 7.846 3.840 2.103 301 1HD ARG 46 2HD ARG 46 5.825 2.195 1.752 302 2HD ARG 46 1HD ARG 46 6.679 1.199 2.932 303 HE ARG 46 HE ARG 46 5.219 3.617 3.522 304 1HH1 ARG 46 1HH1 ARG 46 6.804 1.097 4.934 305 2HH1 ARG 46 2HH1 ARG 46 7.456 1.985 6.271 306 1HH2 ARG 46 1HH2 ARG 46 6.589 5.083 4.975 307 2HH2 ARG 46 2HH2 ARG 46 7.333 4.244 6.294 308 H ILE 47 H ILE 47 9.667 5.566 0.643 309 HA ILE 47 HA ILE 47 12.271 5.078 -0.493 310 HB ILE 47 HB ILE 47 11.716 7.344 0.027 311 1HG1 ILE 47 2HG1 ILE 47 13.484 7.985 1.649 312 2HG1 ILE 47 1HG1 ILE 47 13.622 6.299 2.147 313 1HG2 ILE 47 1HG2 ILE 47 10.164 7.618 1.648 314 2HG2 ILE 47 2HG2 ILE 47 11.510 7.568 2.787 315 3HG2 ILE 47 3HG2 ILE 47 10.601 6.099 2.429 316 1HD1 ILE 47 1HD1 ILE 47 14.688 7.632 -0.239 317 2HD1 ILE 47 2HD1 ILE 47 13.826 6.139 -0.605 318 3HD1 ILE 47 3HD1 ILE 47 15.184 6.119 0.518 319 H ALA 48 H ALA 48 14.158 4.289 0.565 320 HA ALA 48 HA ALA 48 13.979 2.073 2.209 321 1HB ALA 48 1HB ALA 48 16.136 4.158 1.934 322 2HB ALA 48 2HB ALA 48 16.128 2.494 1.353 323 3HB ALA 48 3HB ALA 48 16.324 2.827 3.073 324 H ARG 49 H ARG 49 14.199 1.728 4.508 325 HA ARG 49 HA ARG 49 12.959 3.887 6.097 326 1HB ARG 49 2HB ARG 49 13.744 1.283 7.293 327 2HB ARG 49 1HB ARG 49 12.326 2.271 7.614 328 1HG ARG 49 2HG ARG 49 12.808 0.674 5.078 329 2HG ARG 49 1HG ARG 49 11.729 0.202 6.390 330 1HD ARG 49 2HD ARG 49 10.253 2.010 5.981 331 2HD ARG 49 1HD ARG 49 11.438 2.858 4.986 332 HE ARG 49 HE ARG 49 10.442 1.704 3.199 333 1HH1 ARG 49 1HH1 ARG 49 8.543 0.342 5.263 334 2HH1 ARG 49 2HH1 ARG 49 8.776 -1.319 4.832 335 1HH2 ARG 49 1HH2 ARG 49 11.628 -0.708 2.956 336 2HH2 ARG 49 2HH2 ARG 49 10.521 -1.913 3.526 337 H GLY 50 H GLY 50 15.906 3.681 5.136 338 1HA GLY 50 2HA GLY 50 17.074 4.981 7.387 339 2HA GLY 50 1HA GLY 50 17.607 3.301 7.357 340 H ASP 51 H ASP 51 18.163 2.655 4.877 341 HA ASP 51 HA ASP 51 19.172 4.517 3.045 342 1HB ASP 51 2HB ASP 51 20.687 4.541 5.439 343 2HB ASP 51 1HB ASP 51 21.664 3.753 4.204 344 H TRP 52 H TRP 52 18.670 2.869 1.573 345 HA TRP 52 HA TRP 52 20.707 1.018 0.881 346 1HB TRP 52 2HB TRP 52 18.902 -0.990 1.477 347 2HB TRP 52 1HB TRP 52 20.351 -0.628 2.405 348 HD1 TRP 52 HD1 TRP 52 16.892 1.080 2.252 349 HE1 TRP 52 HE1 TRP 52 16.022 1.357 4.663 350 HE3 TRP 52 HE3 TRP 52 20.710 -1.098 4.792 351 HZ2 TRP 52 HZ2 TRP 52 16.855 0.731 7.331 352 HZ3 TRP 52 HZ3 TRP 52 20.665 -1.253 7.267 353 HH2 TRP 52 HH2 TRP 52 18.742 -0.339 8.539 354 H ASN 53 H ASN 53 19.118 -1.007 -0.317 355 HA ASN 53 HA ASN 53 18.254 0.291 -2.685 356 1HB ASN 53 2HB ASN 53 18.281 -2.404 -1.624 357 2HB ASN 53 1HB ASN 53 16.776 -2.099 -2.489 358 1HD2 ASN 53 1HD2 ASN 53 17.046 -1.150 -4.762 359 2HD2 ASN 53 2HD2 ASN 53 18.415 -1.606 -5.657 360 H ASP 54 H ASP 54 16.551 1.648 -2.878 361 HA ASP 54 HA ASP 54 14.470 1.885 -0.923 362 1HB ASP 54 2HB ASP 54 13.331 3.251 -2.757 363 2HB ASP 54 1HB ASP 54 14.937 3.799 -2.279 364 H ASP 55 H ASP 55 12.059 1.750 -1.746 365 HA ASP 55 HA ASP 55 11.659 -1.044 -2.615 366 1HB ASP 55 2HB ASP 55 10.385 0.586 -0.770 367 2HB ASP 55 1HB ASP 55 9.267 0.540 -2.127 368 H ARG 56 H ARG 56 11.111 -1.543 -4.681 369 HA ARG 56 HA ARG 56 10.127 0.657 -6.458 370 1HB ARG 56 2HB ARG 56 12.452 -0.600 -6.779 371 2HB ARG 56 1HB ARG 56 11.418 -1.806 -7.548 372 1HG ARG 56 2HG ARG 56 11.704 -0.496 -9.388 373 2HG ARG 56 1HG ARG 56 10.422 0.466 -8.652 374 1HD ARG 56 2HD ARG 56 11.971 2.140 -8.894 375 2HD ARG 56 1HD ARG 56 12.538 1.506 -7.348 376 HE ARG 56 HE ARG 56 13.797 0.076 -9.491 377 1HH1 ARG 56 1HH2 ARG 56 13.946 2.758 -7.377 378 2HH1 ARG 56 2HH2 ARG 56 15.484 3.310 -7.951 379 1HH2 ARG 56 1HH1 ARG 56 15.696 0.934 -10.468 380 2HH2 ARG 56 2HH1 ARG 56 16.475 2.278 -9.701 381 H CYS 57 H CYS 57 8.455 0.098 -7.954 382 HA CYS 57 HA CYS 57 6.908 -2.317 -7.160 383 1HB CYS 57 2HB CYS 57 5.940 -0.194 -9.069 384 2HB CYS 57 1HB CYS 57 4.992 -1.296 -8.081 385 H THR 58 H THR 58 6.044 -3.642 -8.935 386 HA THR 58 HA THR 58 8.039 -4.042 -11.034 387 HB THR 58 HB THR 58 6.977 -6.090 -11.420 388 HG1 THR 58 HG1 THR 58 4.758 -6.382 -10.925 389 1HG2 THR 58 1HG2 THR 58 6.980 -7.015 -9.335 390 2HG2 THR 58 2HG2 THR 58 5.774 -5.879 -8.726 391 3HG2 THR 58 3HG2 THR 58 7.468 -5.398 -8.826 392 H GLY 59 H GLY 59 6.342 -4.870 -13.164 393 1HA GLY 59 1HA GLY 59 5.490 -2.198 -14.131 394 2HA GLY 59 2HA GLY 59 5.759 -3.618 -15.141 395 H GLN 60 H GLN 60 3.958 -4.277 -12.305 396 HA GLN 60 HA GLN 60 1.341 -3.659 -13.471 397 1HB GLN 60 2HB GLN 60 2.180 -6.552 -13.117 398 2HB GLN 60 1HB GLN 60 0.588 -5.986 -13.623 399 1HG GLN 60 2HG GLN 60 1.737 -4.835 -15.571 400 2HG GLN 60 1HG GLN 60 3.202 -5.709 -15.122 401 1HE2 GLN 60 1HE2 GLN 60 1.330 -8.024 -14.192 402 2HE2 GLN 60 2HE2 GLN 60 0.939 -8.817 -15.639 403 H SER 61 H SER 61 3.054 -3.442 -10.896 404 HA SER 61 HA SER 61 1.149 -4.756 -9.015 405 1HB SER 61 2HB SER 61 3.286 -5.296 -8.268 406 2HB SER 61 1HB SER 61 3.969 -3.759 -8.791 407 HG SER 61 HG SER 61 3.404 -2.893 -6.950 408 H ALA 62 H ALA 62 -0.352 -3.520 -7.980 409 HA ALA 62 HA ALA 62 -0.181 -0.571 -8.300 410 1HB ALA 62 1HB ALA 62 -2.353 -1.065 -8.851 411 2HB ALA 62 2HB ALA 62 -2.576 -0.962 -7.104 412 3HB ALA 62 3HB ALA 62 -2.373 -2.534 -7.876 413 H ASP 63 H ASP 63 0.198 -3.059 -5.944 414 HA ASP 63 HA ASP 63 0.139 -1.035 -3.753 415 1HB ASP 63 2HB ASP 63 0.249 -4.007 -3.382 416 2HB ASP 63 1HB ASP 63 -0.268 -2.789 -2.224 417 H CYS 64 H CYS 64 1.817 -1.977 -1.919 418 HA CYS 64 HA CYS 64 4.362 -2.664 -3.304 419 1HB CYS 64 2HB CYS 64 4.320 -0.216 -3.088 420 2HB CYS 64 1HB CYS 64 4.003 -0.362 -1.360 421 HA PRO 65 HA PRO 65 4.457 -5.355 0.185 422 1HB PRO 65 2HB PRO 65 6.721 -6.649 -0.644 423 2HB PRO 65 1HB PRO 65 5.117 -7.003 -1.285 424 1HG PRO 65 2HG PRO 65 7.392 -5.568 -2.550 425 2HG PRO 65 1HG PRO 65 6.032 -6.409 -3.313 426 1HD PRO 65 2HD PRO 65 6.306 -3.604 -2.994 427 2HD PRO 65 1HD PRO 65 4.843 -4.473 -3.506 428 H ARG 66 H ARG 66 6.901 -6.250 1.237 429 HA ARG 66 HA ARG 66 8.494 -3.843 1.822 430 1HB ARG 66 2HB ARG 66 8.370 -4.515 4.309 431 2HB ARG 66 1HB ARG 66 6.960 -3.706 3.625 432 1HG ARG 66 2HG ARG 66 5.701 -5.672 3.546 433 2HG ARG 66 1HG ARG 66 7.132 -6.705 3.547 434 1HD ARG 66 2HD ARG 66 6.592 -6.981 5.753 435 2HD ARG 66 1HD ARG 66 7.454 -5.454 5.932 436 HE ARG 66 HE ARG 66 5.055 -4.438 5.568 437 1HH1 ARG 66 1HH1 ARG 66 6.086 -5.689 8.287 438 2HH1 ARG 66 2HH1 ARG 66 4.615 -6.430 8.821 439 1HH2 ARG 66 1HH2 ARG 66 3.039 -6.139 5.746 440 2HH2 ARG 66 2HH2 ARG 66 2.889 -6.682 7.384 441 H TYR 67 H TYR 67 10.043 -5.111 0.527 442 HA TYR 67 HA TYR 67 10.941 -7.702 1.322 443 1HB TYR 67 2HB TYR 67 11.445 -6.941 -0.889 444 2HB TYR 67 1HB TYR 67 12.259 -5.518 -0.256 445 HD1 TYR 67 HD1 TYR 67 14.578 -5.599 -0.417 446 HD2 TYR 67 HD2 TYR 67 12.400 -9.212 0.391 447 HE1 TYR 67 HE1 TYR 67 16.709 -6.862 -0.316 448 HE2 TYR 67 HE2 TYR 67 14.531 -10.474 0.493 449 HH TYR 67 HH TYR 67 17.028 -9.959 -0.658 450 H HIS 68 HN HIS 68 11.615 -4.517 2.521 451 HA HIS 68 HA HIS 68 13.957 -5.516 4.059 452 1HB HIS 68 2HB HIS 68 13.805 -3.217 2.779 453 2HB HIS 68 1HB HIS 68 12.926 -2.698 4.217 454 HD1 HIS 68 HD1 HIS 68 14.239 -3.083 6.559 455 HD2 HIS 68 HD2 HIS 68 16.568 -3.281 3.106 456 HE1 HIS 68 HE1 HIS 68 16.648 -2.840 7.304 Start of MODEL 17 1 1H GLY 1 1HT GLY 1 -7.302 -10.812 1.529 2 2H GLY 1 2HT GLY 1 -6.118 -10.034 0.593 3 3H GLY 1 3HT GLY 1 -7.034 -11.302 -0.073 4 1HA GLY 1 1HA GLY 1 -8.432 -8.930 0.944 5 2HA GLY 1 2HA GLY 1 -7.620 -8.839 -0.619 6 H LYS 2 H LYS 2 -10.578 -9.193 0.470 7 HA LYS 2 HA LYS 2 -11.303 -11.524 -1.238 8 1HB LYS 2 2HB LYS 2 -12.198 -10.753 1.273 9 2HB LYS 2 1HB LYS 2 -13.487 -10.205 0.201 10 1HG LYS 2 2HG LYS 2 -13.445 -12.507 -0.860 11 2HG LYS 2 1HG LYS 2 -12.364 -13.007 0.441 12 1HD LYS 2 2HD LYS 2 -14.455 -13.592 1.304 13 2HD LYS 2 1HD LYS 2 -14.207 -11.992 2.005 14 1HE LYS 2 2HE LYS 2 -15.376 -11.221 -0.265 15 2HE LYS 2 1HE LYS 2 -16.066 -12.841 -0.174 16 1HZ LYS 2 1HZ LYS 2 -16.298 -10.637 1.783 17 2HZ LYS 2 2HZ LYS 2 -16.623 -12.249 2.211 18 3HZ LYS 2 3HZ LYS 2 -17.540 -11.487 1.001 19 H GLU 3 H GLU 3 -14.054 -10.474 -1.554 20 HA GLU 3 HA GLU 3 -13.696 -9.103 -4.049 21 1HB GLU 3 2HB GLU 3 -15.854 -10.241 -2.571 22 2HB GLU 3 1HB GLU 3 -16.309 -8.602 -3.038 23 1HG GLU 3 2HG GLU 3 -16.858 -9.540 -5.032 24 2HG GLU 3 1HG GLU 3 -15.119 -9.528 -5.333 25 H CYS 4 H CYS 4 -12.433 -7.226 -3.611 26 HA CYS 4 HA CYS 4 -13.896 -4.831 -3.021 27 1HB CYS 4 2HB CYS 4 -12.384 -6.098 -0.800 28 2HB CYS 4 1HB CYS 4 -12.226 -4.359 -0.988 29 H ASP 5 H ASP 5 -12.593 -5.063 -5.201 30 HA ASP 5 HA ASP 5 -9.889 -4.922 -5.560 31 1HB ASP 5 2HB ASP 5 -11.733 -4.565 -7.294 32 2HB ASP 5 1HB ASP 5 -11.689 -2.861 -6.836 33 H CYS 6 H CYS 6 -11.871 -2.359 -4.111 34 HA CYS 6 HA CYS 6 -9.308 -0.928 -3.514 35 1HB CYS 6 2HB CYS 6 -10.406 1.173 -3.711 36 2HB CYS 6 1HB CYS 6 -10.929 0.242 -5.110 37 H SER 7 H SER 7 -9.423 0.375 -1.462 38 HA SER 7 HA SER 7 -10.910 -1.183 0.593 39 1HB SER 7 2HB SER 7 -9.180 0.633 1.859 40 2HB SER 7 1HB SER 7 -8.919 -1.095 1.643 41 HG SER 7 HG SER 7 -7.301 0.466 0.753 42 H SER 8 H SER 8 -10.813 1.905 -0.954 43 HA SER 8 HA SER 8 -12.514 3.075 1.191 44 1HB SER 8 2HB SER 8 -10.447 4.140 -0.456 45 2HB SER 8 1HB SER 8 -11.946 4.972 -0.851 46 HG SER 8 HG SER 8 -10.959 5.988 0.895 47 HA PRO 9 HA PRO 9 -15.915 2.409 -1.591 48 1HB PRO 9 2HB PRO 9 -17.813 3.597 0.004 49 2HB PRO 9 1HB PRO 9 -17.186 1.962 0.279 50 1HG PRO 9 2HG PRO 9 -16.606 4.471 1.781 51 2HG PRO 9 1HG PRO 9 -16.526 2.789 2.332 52 1HD PRO 9 2HD PRO 9 -14.320 4.407 1.588 53 2HD PRO 9 1HD PRO 9 -14.293 2.649 1.847 54 H GLU 10 H GLU 10 -14.353 5.266 -1.006 55 HA GLU 10 HA GLU 10 -16.370 6.924 -2.450 56 1HB GLU 10 2HB GLU 10 -13.927 7.650 -0.814 57 2HB GLU 10 1HB GLU 10 -14.824 8.827 -1.774 58 1HG GLU 10 2HG GLU 10 -15.988 9.078 0.186 59 2HG GLU 10 1HG GLU 10 -16.880 7.693 -0.446 60 H ASN 11 H ASN 11 -13.437 5.226 -2.875 61 HA ASN 11 HA ASN 11 -12.158 6.815 -4.858 62 1HB ASN 11 2HB ASN 11 -11.562 4.478 -3.590 63 2HB ASN 11 1HB ASN 11 -11.998 3.881 -5.192 64 1HD2 ASN 11 1HD2 ASN 11 -9.404 5.086 -3.409 65 2HD2 ASN 11 2HD2 ASN 11 -8.417 5.588 -4.695 66 HA PRO 12 HA PRO 12 -15.091 6.184 -8.146 67 1HB PRO 12 2HB PRO 12 -13.641 7.499 -10.076 68 2HB PRO 12 1HB PRO 12 -14.591 8.330 -8.831 69 1HG PRO 12 2HG PRO 12 -11.633 8.009 -9.031 70 2HG PRO 12 1HG PRO 12 -12.572 9.281 -8.232 71 1HD PRO 12 2HD PRO 12 -11.297 7.102 -6.949 72 2HD PRO 12 1HD PRO 12 -12.496 8.191 -6.218 73 H CYS 13 H CYS 13 -11.732 5.226 -8.205 74 HA CYS 13 HA CYS 13 -11.755 3.818 -10.720 75 1HB CYS 13 2HB CYS 13 -10.005 3.817 -8.288 76 2HB CYS 13 1HB CYS 13 -9.828 2.519 -9.463 77 H CYS 14 H CYS 14 -13.067 3.091 -7.600 78 HA CYS 14 HA CYS 14 -13.605 0.321 -8.575 79 1HB CYS 14 2HB CYS 14 -13.395 -0.543 -6.375 80 2HB CYS 14 1HB CYS 14 -11.998 0.503 -6.612 81 H ASP 15 H ASP 15 -15.327 -0.359 -6.480 82 HA ASP 15 HA ASP 15 -17.578 1.557 -6.683 83 1HB ASP 15 2HB ASP 15 -17.404 -0.469 -8.469 84 2HB ASP 15 1HB ASP 15 -18.240 -1.274 -7.152 85 H ALA 16 H ALA 16 -18.320 1.802 -4.633 86 HA ALA 16 HA ALA 16 -17.566 0.073 -2.481 87 1HB ALA 16 1HB ALA 16 -19.603 1.375 -1.373 88 2HB ALA 16 2HB ALA 16 -19.443 2.377 -2.814 89 3HB ALA 16 3HB ALA 16 -18.079 2.193 -1.711 90 H ALA 17 H ALA 17 -20.092 -0.125 -4.813 91 HA ALA 17 HA ALA 17 -21.906 -1.716 -3.176 92 1HB ALA 17 1HB ALA 17 -21.727 -1.081 -6.122 93 2HB ALA 17 2HB ALA 17 -22.956 -0.575 -4.963 94 3HB ALA 17 3HB ALA 17 -22.893 -2.252 -5.506 95 H THR 18 H THR 18 -20.122 -2.604 -6.149 96 HA THR 18 HA THR 18 -20.114 -5.417 -5.270 97 HB THR 18 HB THR 18 -20.491 -4.624 -7.679 98 HG1 THR 18 HG1 THR 18 -20.097 -6.699 -7.681 99 1HG2 THR 18 1HG2 THR 18 -18.095 -3.289 -7.215 100 2HG2 THR 18 2HG2 THR 18 -18.879 -3.507 -8.780 101 3HG2 THR 18 3HG2 THR 18 -17.638 -4.643 -8.250 102 H CYS 19 H CYS 19 -18.346 -2.901 -4.324 103 HA CYS 19 HA CYS 19 -16.092 -2.560 -3.709 104 1HB CYS 19 2HB CYS 19 -17.141 -4.777 -2.400 105 2HB CYS 19 1HB CYS 19 -15.604 -5.327 -3.011 106 H LYS 20 H LYS 20 -15.978 -2.673 -6.342 107 HA LYS 20 HA LYS 20 -13.452 -4.035 -6.816 108 1HB LYS 20 2HB LYS 20 -15.984 -5.263 -7.654 109 2HB LYS 20 1HB LYS 20 -14.772 -5.139 -8.936 110 1HG LYS 20 2HG LYS 20 -13.293 -5.961 -6.749 111 2HG LYS 20 1HG LYS 20 -14.807 -6.844 -6.554 112 1HD LYS 20 2HD LYS 20 -13.949 -8.316 -8.047 113 2HD LYS 20 1HD LYS 20 -14.302 -7.088 -9.263 114 1HE LYS 20 2HE LYS 20 -12.090 -6.255 -9.236 115 2HE LYS 20 1HE LYS 20 -11.721 -7.046 -7.702 116 1HZ LYS 20 1HZ LYS 20 -11.173 -8.029 -10.183 117 2HZ LYS 20 2HZ LYS 20 -12.559 -8.894 -9.720 118 3HZ LYS 20 3HZ LYS 20 -11.172 -8.919 -8.739 119 H LEU 21 H LEU 21 -12.583 -3.540 -8.984 120 HA LEU 21 HA LEU 21 -12.843 -0.848 -9.695 121 1HB LEU 21 2HB LEU 21 -11.838 -3.248 -11.182 122 2HB LEU 21 1HB LEU 21 -11.919 -1.677 -11.981 123 HG LEU 21 HG LEU 21 -10.632 -1.986 -9.277 124 1HD1 LEU 21 1HD1 LEU 21 -9.731 -3.341 -11.493 125 2HD1 LEU 21 2HD1 LEU 21 -8.708 -2.809 -10.158 126 3HD1 LEU 21 3HD1 LEU 21 -8.851 -1.818 -11.610 127 1HD2 LEU 21 1HD2 LEU 21 -10.549 0.244 -9.545 128 2HD2 LEU 21 2HD2 LEU 21 -11.043 0.129 -11.234 129 3HD2 LEU 21 3HD2 LEU 21 -9.344 -0.053 -10.796 130 H ARG 22 H ARG 22 -14.385 0.274 -10.708 131 HA ARG 22 HA ARG 22 -16.655 -1.135 -11.921 132 1HB ARG 22 2HB ARG 22 -16.464 1.219 -10.545 133 2HB ARG 22 1HB ARG 22 -16.499 1.801 -12.211 134 1HG ARG 22 2HG ARG 22 -18.494 0.212 -12.545 135 2HG ARG 22 1HG ARG 22 -18.552 0.112 -10.784 136 1HD ARG 22 2HD ARG 22 -18.796 2.546 -10.628 137 2HD ARG 22 1HD ARG 22 -18.673 2.687 -12.382 138 HE ARG 22 HE ARG 22 -20.963 1.427 -10.938 139 1HH1 ARG 22 1HH2 ARG 22 -20.022 0.834 -13.919 140 2HH1 ARG 22 2HH2 ARG 22 -21.231 1.745 -14.763 141 1HH2 ARG 22 1HH1 ARG 22 -22.299 3.448 -11.939 142 2HH2 ARG 22 2HH1 ARG 22 -22.520 3.223 -13.642 143 HA PRO 23 HA PRO 23 -14.926 1.078 -15.774 144 1HB PRO 23 2HB PRO 23 -12.514 2.372 -15.538 145 2HB PRO 23 1HB PRO 23 -14.076 3.154 -15.243 146 1HG PRO 23 2HG PRO 23 -12.017 2.294 -13.278 147 2HG PRO 23 1HG PRO 23 -13.274 3.529 -13.116 148 1HD PRO 23 2HD PRO 23 -13.333 0.891 -12.046 149 2HD PRO 23 1HD PRO 23 -14.676 2.055 -12.066 150 H GLY 24 H GLY 24 -12.630 0.900 -17.148 151 1HA GLY 24 2HA GLY 24 -11.825 -1.913 -16.764 152 2HA GLY 24 1HA GLY 24 -11.436 -0.907 -18.160 153 H ALA 25 H ALA 25 -10.909 0.500 -15.056 154 HA ALA 25 HA ALA 25 -8.155 0.988 -15.517 155 1HB ALA 25 1HB ALA 25 -9.593 2.236 -13.899 156 2HB ALA 25 2HB ALA 25 -8.069 1.704 -13.191 157 3HB ALA 25 3HB ALA 25 -9.559 0.830 -12.836 158 H GLN 26 H GLN 26 -6.557 0.197 -13.553 159 HA GLN 26 HA GLN 26 -6.694 -2.784 -13.661 160 1HB GLN 26 2HB GLN 26 -4.587 -0.907 -14.240 161 2HB GLN 26 1HB GLN 26 -4.086 -2.004 -12.954 162 1HG GLN 26 2HG GLN 26 -3.838 -3.685 -14.431 163 2HG GLN 26 1HG GLN 26 -5.497 -3.478 -14.991 164 1HE2 GLN 26 1HE2 GLN 26 -5.832 -1.707 -16.672 165 2HE2 GLN 26 2HE2 GLN 26 -4.566 -1.375 -17.752 166 H CYS 27 H CYS 27 -7.138 -0.232 -11.570 167 HA CYS 27 HA CYS 27 -7.275 -1.890 -9.259 168 1HB CYS 27 2HB CYS 27 -5.349 -0.827 -7.990 169 2HB CYS 27 1HB CYS 27 -4.865 -1.948 -9.258 170 H GLY 28 H GLY 28 -7.505 -0.475 -7.217 171 1HA GLY 28 2HA GLY 28 -8.863 2.059 -8.016 172 2HA GLY 28 1HA GLY 28 -9.313 1.095 -6.612 173 H GLU 29 H GLU 29 -6.358 0.682 -6.029 174 HA GLU 29 HA GLU 29 -5.097 3.191 -5.566 175 1HB GLU 29 2HB GLU 29 -5.620 3.592 -3.224 176 2HB GLU 29 1HB GLU 29 -7.128 3.529 -4.138 177 1HG GLU 29 2HG GLU 29 -7.855 1.759 -2.954 178 2HG GLU 29 1HG GLU 29 -6.359 0.877 -3.259 179 H GLY 30 H GLY 30 -3.083 2.907 -4.489 180 1HA GLY 30 2HA GLY 30 -2.374 0.656 -2.907 181 2HA GLY 30 1HA GLY 30 -1.945 0.304 -4.581 182 H LEU 31 H LEU 31 0.272 0.323 -3.379 183 HA LEU 31 HA LEU 31 1.337 2.992 -2.809 184 1HB LEU 31 2HB LEU 31 2.128 0.265 -2.330 185 2HB LEU 31 1HB LEU 31 3.471 1.190 -2.989 186 HG LEU 31 HG LEU 31 3.426 1.362 -0.535 187 1HD1 LEU 31 1HD1 LEU 31 2.741 4.025 -0.661 188 2HD1 LEU 31 2HD1 LEU 31 3.066 3.651 -2.354 189 3HD1 LEU 31 3HD1 LEU 31 4.307 3.370 -1.135 190 1HD2 LEU 31 1HD2 LEU 31 0.616 2.361 -1.060 191 2HD2 LEU 31 2HD2 LEU 31 1.461 2.652 0.461 192 3HD2 LEU 31 3HD2 LEU 31 1.106 1.001 -0.050 193 H CYS 32 H CYS 32 0.824 1.144 -5.568 194 HA CYS 32 HA CYS 32 2.511 2.961 -7.153 195 1HB CYS 32 2HB CYS 32 2.989 0.480 -8.375 196 2HB CYS 32 1HB CYS 32 4.160 1.466 -7.508 197 H CYS 33 H CYS 33 -0.015 3.351 -7.291 198 HA CYS 33 HA CYS 33 -0.887 2.025 -9.807 199 1HB CYS 33 2HB CYS 33 -2.189 1.821 -7.199 200 2HB CYS 33 1HB CYS 33 -3.263 2.485 -8.429 201 H GLU 34 H GLU 34 -1.136 3.639 -11.255 202 HA GLU 34 HA GLU 34 -1.401 6.406 -10.397 203 1HB GLU 34 2HB GLU 34 -1.223 6.961 -12.717 204 2HB GLU 34 1HB GLU 34 -0.139 5.594 -12.454 205 1HG GLU 34 2HG GLU 34 -1.244 4.462 -14.052 206 2HG GLU 34 1HG GLU 34 -2.683 4.495 -13.033 207 H GLN 35 H GLN 35 -3.111 7.433 -12.362 208 HA GLN 35 HA GLN 35 -5.631 7.291 -11.076 209 1HB GLN 35 2HB GLN 35 -4.465 8.761 -13.187 210 2HB GLN 35 1HB GLN 35 -5.924 8.025 -13.849 211 1HG GLN 35 2HG GLN 35 -6.671 10.069 -12.909 212 2HG GLN 35 1HG GLN 35 -7.098 8.848 -11.709 213 1HE2 GLN 35 1HE2 GLN 35 -4.200 10.870 -12.503 214 2HE2 GLN 35 2HE2 GLN 35 -3.859 11.264 -10.887 215 H CYS 36 H CYS 36 -6.210 5.048 -10.906 216 HA CYS 36 HA CYS 36 -7.380 3.137 -11.616 217 1HB CYS 36 2HB CYS 36 -8.113 5.264 -13.539 218 2HB CYS 36 1HB CYS 36 -8.353 3.615 -14.119 219 H LYS 37 H LYS 37 -4.562 3.187 -12.107 220 HA LYS 37 HA LYS 37 -4.438 1.182 -14.231 221 1HB LYS 37 2HB LYS 37 -3.974 3.861 -14.953 222 2HB LYS 37 1HB LYS 37 -2.375 3.125 -14.832 223 1HG LYS 37 2HG LYS 37 -2.699 2.045 -16.776 224 2HG LYS 37 1HG LYS 37 -4.143 1.269 -16.122 225 1HD LYS 37 2HD LYS 37 -5.572 2.901 -16.971 226 2HD LYS 37 1HD LYS 37 -4.303 4.126 -17.027 227 1HE LYS 37 2HE LYS 37 -3.353 2.151 -18.729 228 2HE LYS 37 1HE LYS 37 -5.086 2.169 -19.058 229 1HZ LYS 37 1HZ LYS 37 -3.610 4.707 -18.870 230 2HZ LYS 37 2HZ LYS 37 -5.029 4.349 -19.732 231 3HZ LYS 37 3HZ LYS 37 -3.526 3.798 -20.299 232 H PHE 38 H PHE 38 -2.359 0.071 -14.245 233 HA PHE 38 HA PHE 38 -1.139 -0.044 -11.608 234 1HB PHE 38 2HB PHE 38 -0.822 -1.483 -14.207 235 2HB PHE 38 1HB PHE 38 0.518 -1.557 -13.064 236 HD1 PHE 38 HD1 PHE 38 -2.007 -3.491 -14.100 237 HD2 PHE 38 HD2 PHE 38 -0.721 -1.611 -10.459 238 HE1 PHE 38 HE1 PHE 38 -3.222 -5.207 -12.786 239 HE2 PHE 38 HE2 PHE 38 -1.936 -3.328 -9.144 240 HZ PHE 38 HZ PHE 38 -3.187 -5.125 -10.309 241 H SER 39 H SER 39 0.418 1.394 -10.955 242 HA SER 39 HA SER 39 1.676 3.300 -12.585 243 1HB SER 39 2HB SER 39 2.392 2.067 -9.971 244 2HB SER 39 1HB SER 39 3.561 3.112 -10.761 245 HG SER 39 HG SER 39 0.884 3.926 -10.539 246 H ARG 40 H ARG 40 4.117 3.316 -13.092 247 HA ARG 40 HA ARG 40 4.706 0.872 -14.564 248 1HB ARG 40 2HB ARG 40 5.861 3.610 -14.445 249 2HB ARG 40 1HB ARG 40 6.829 2.309 -15.130 250 1HG ARG 40 2HG ARG 40 4.794 1.750 -16.572 251 2HG ARG 40 1HG ARG 40 4.122 3.295 -16.050 252 1HD ARG 40 2HD ARG 40 6.519 4.184 -16.795 253 2HD ARG 40 1HD ARG 40 6.469 2.749 -17.819 254 HE ARG 40 HE ARG 40 4.135 3.747 -18.521 255 1HH1 ARG 40 1HH2 ARG 40 5.691 6.091 -16.843 256 2HH1 ARG 40 2HH2 ARG 40 5.890 7.201 -18.157 257 1HH2 ARG 40 1HH1 ARG 40 4.944 4.909 -20.583 258 2HH2 ARG 40 2HH1 ARG 40 5.468 6.531 -20.277 259 H ALA 41 H ALA 41 6.496 -0.489 -14.162 260 HA ALA 41 HA ALA 41 7.223 -1.000 -11.504 261 1HB ALA 41 1HB ALA 41 7.620 -2.471 -13.562 262 2HB ALA 41 2HB ALA 41 8.921 -2.446 -12.373 263 3HB ALA 41 3HB ALA 41 9.061 -1.501 -13.856 264 H GLY 42 H GLY 42 9.877 -0.964 -11.053 265 1HA GLY 42 2HA GLY 42 11.528 0.516 -10.252 266 2HA GLY 42 1HA GLY 42 11.359 1.304 -11.824 267 H LYS 43 H LYS 43 8.567 0.979 -9.795 268 HA LYS 43 HA LYS 43 8.402 3.911 -9.584 269 1HB LYS 43 2HB LYS 43 6.339 2.938 -10.220 270 2HB LYS 43 1HB LYS 43 6.488 1.651 -9.029 271 1HG LYS 43 2HG LYS 43 4.862 3.233 -8.192 272 2HG LYS 43 1HG LYS 43 6.322 3.411 -7.224 273 1HD LYS 43 2HD LYS 43 7.017 5.332 -8.597 274 2HD LYS 43 1HD LYS 43 5.579 5.144 -9.600 275 1HE LYS 43 2HE LYS 43 5.551 5.703 -6.619 276 2HE LYS 43 1HE LYS 43 5.284 6.910 -7.878 277 1HZ LYS 43 1HZ LYS 43 3.633 4.650 -8.305 278 2HZ LYS 43 2HZ LYS 43 3.188 6.273 -8.070 279 3HZ LYS 43 3HZ LYS 43 3.401 5.245 -6.734 280 H ILE 44 H ILE 44 8.794 5.020 -7.674 281 HA ILE 44 HA ILE 44 9.936 3.490 -5.484 282 HB ILE 44 HB ILE 44 9.761 6.299 -6.269 283 1HG1 ILE 44 2HG1 ILE 44 11.793 4.862 -6.323 284 2HG1 ILE 44 1HG1 ILE 44 12.014 6.302 -5.324 285 1HG2 ILE 44 1HG2 ILE 44 10.294 6.982 -3.826 286 2HG2 ILE 44 2HG2 ILE 44 9.472 5.486 -3.381 287 3HG2 ILE 44 3HG2 ILE 44 8.600 6.743 -4.258 288 1HD1 ILE 44 1HD1 ILE 44 10.880 4.201 -3.718 289 2HD1 ILE 44 2HD1 ILE 44 12.422 5.032 -3.512 290 3HD1 ILE 44 3HD1 ILE 44 12.322 3.595 -4.532 291 H CYS 45 H CYS 45 8.449 2.264 -4.418 292 HA CYS 45 HA CYS 45 5.870 3.449 -3.590 293 1HB CYS 45 2HB CYS 45 5.511 1.145 -2.591 294 2HB CYS 45 1HB CYS 45 5.737 1.162 -4.339 295 H ARG 46 H ARG 46 9.009 3.385 -2.481 296 HA ARG 46 HA ARG 46 8.150 4.189 0.223 297 1HB ARG 46 2HB ARG 46 9.893 1.794 -0.363 298 2HB ARG 46 1HB ARG 46 10.025 2.667 1.165 299 1HG ARG 46 2HG ARG 46 7.262 2.292 0.737 300 2HG ARG 46 1HG ARG 46 8.021 0.752 0.339 301 1HD ARG 46 2HD ARG 46 8.889 0.471 2.484 302 2HD ARG 46 1HD ARG 46 8.858 2.200 2.832 303 HE ARG 46 HE ARG 46 6.231 1.770 2.699 304 1HH1 ARG 46 1HH2 ARG 46 7.984 -1.028 3.157 305 2HH1 ARG 46 2HH2 ARG 46 7.289 -1.436 4.690 306 1HH2 ARG 46 1HH1 ARG 46 5.632 1.590 5.043 307 2HH2 ARG 46 2HH1 ARG 46 5.956 0.046 5.758 308 H ILE 47 H ILE 47 10.091 5.112 1.441 309 HA ILE 47 HA ILE 47 12.074 6.215 -0.511 310 HB ILE 47 HB ILE 47 10.434 7.914 0.267 311 1HG1 ILE 47 2HG1 ILE 47 12.719 8.948 1.709 312 2HG1 ILE 47 1HG1 ILE 47 13.255 8.062 0.280 313 1HG2 ILE 47 1HG2 ILE 47 11.622 7.858 3.000 314 2HG2 ILE 47 2HG2 ILE 47 10.427 6.617 2.620 315 3HG2 ILE 47 3HG2 ILE 47 9.999 8.323 2.488 316 1HD1 ILE 47 1HD1 ILE 47 10.938 9.663 -0.364 317 2HD1 ILE 47 2HD1 ILE 47 12.551 9.713 -1.077 318 3HD1 ILE 47 3HD1 ILE 47 12.190 10.674 0.358 319 H ALA 48 H ALA 48 13.975 5.200 -0.072 320 HA ALA 48 HA ALA 48 14.640 4.028 2.448 321 1HB ALA 48 1HB ALA 48 16.320 3.144 1.243 322 2HB ALA 48 2HB ALA 48 16.984 4.744 0.911 323 3HB ALA 48 3HB ALA 48 15.739 4.071 -0.139 324 H ARG 49 H ARG 49 15.261 5.053 4.274 325 HA ARG 49 HA ARG 49 16.455 7.772 4.034 326 1HB ARG 49 2HB ARG 49 14.887 6.622 6.302 327 2HB ARG 49 1HB ARG 49 15.419 8.295 6.155 328 1HG ARG 49 2HG ARG 49 13.825 7.218 3.890 329 2HG ARG 49 1HG ARG 49 12.951 7.462 5.402 330 1HD ARG 49 2HD ARG 49 14.632 9.552 3.989 331 2HD ARG 49 1HD ARG 49 12.871 9.491 3.998 332 HE ARG 49 HE ARG 49 14.551 10.032 6.408 333 1HH1 ARG 49 1HH1 ARG 49 11.559 8.906 6.240 334 2HH1 ARG 49 2HH1 ARG 49 10.719 10.343 6.721 335 1HH2 ARG 49 1HH2 ARG 49 13.490 12.398 6.352 336 2HH2 ARG 49 2HH2 ARG 49 11.814 12.323 6.785 337 H GLY 50 H GLY 50 16.772 4.610 5.354 338 1HA GLY 50 2HA GLY 50 18.842 5.356 7.268 339 2HA GLY 50 1HA GLY 50 18.298 3.718 6.930 340 H ASP 51 H ASP 51 19.648 6.258 4.797 341 HA ASP 51 HA ASP 51 21.345 6.069 3.180 342 1HB ASP 51 2HB ASP 51 22.363 5.467 5.766 343 2HB ASP 51 1HB ASP 51 23.144 4.384 4.616 344 H TRP 52 H TRP 52 20.441 4.767 1.561 345 HA TRP 52 HA TRP 52 21.634 2.379 0.842 346 1HB TRP 52 2HB TRP 52 19.767 0.717 1.486 347 2HB TRP 52 1HB TRP 52 20.906 1.185 2.743 348 HD1 TRP 52 HD1 TRP 52 18.248 3.709 1.767 349 HE1 TRP 52 HE1 TRP 52 16.546 3.913 3.662 350 HE3 TRP 52 HE3 TRP 52 19.745 -0.164 4.729 351 HZ2 TRP 52 HZ2 TRP 52 15.889 2.637 6.127 352 HZ3 TRP 52 HZ3 TRP 52 18.560 -0.646 6.854 353 HH2 TRP 52 HH2 TRP 52 16.634 0.755 7.555 354 H ASN 53 H ASN 53 19.902 0.925 -0.516 355 HA ASN 53 HA ASN 53 18.876 2.748 -2.520 356 1HB ASN 53 2HB ASN 53 19.233 -0.148 -2.207 357 2HB ASN 53 1HB ASN 53 17.780 0.283 -3.108 358 1HD2 ASN 53 1HD2 ASN 53 19.345 -0.849 -4.838 359 2HD2 ASN 53 2HD2 ASN 53 20.314 0.222 -5.729 360 H ASP 54 H ASP 54 16.543 2.411 -3.342 361 HA ASP 54 HA ASP 54 14.718 2.496 -0.985 362 1HB ASP 54 2HB ASP 54 14.021 3.506 -3.707 363 2HB ASP 54 1HB ASP 54 13.368 4.005 -2.155 364 H ASP 55 H ASP 55 12.308 2.014 -1.999 365 HA ASP 55 HA ASP 55 12.542 -0.752 -3.067 366 1HB ASP 55 2HB ASP 55 11.261 -0.151 -0.891 367 2HB ASP 55 1HB ASP 55 10.032 0.462 -1.991 368 H ARG 56 H ARG 56 11.472 -1.335 -4.982 369 HA ARG 56 HA ARG 56 10.116 0.883 -6.432 370 1HB ARG 56 2HB ARG 56 11.806 -1.253 -7.690 371 2HB ARG 56 1HB ARG 56 11.112 0.149 -8.489 372 1HG ARG 56 2HG ARG 56 12.752 0.822 -6.147 373 2HG ARG 56 1HG ARG 56 13.660 0.036 -7.439 374 1HD ARG 56 2HD ARG 56 12.551 1.691 -9.038 375 2HD ARG 56 1HD ARG 56 12.015 2.569 -7.606 376 HE ARG 56 HE ARG 56 14.196 3.427 -7.470 377 1HH1 ARG 56 1HH1 ARG 56 14.390 1.736 -10.218 378 2HH1 ARG 56 2HH1 ARG 56 15.989 1.107 -9.998 379 1HH2 ARG 56 1HH2 ARG 56 16.175 2.009 -6.657 380 2HH2 ARG 56 2HH2 ARG 56 16.998 1.261 -7.985 381 H CYS 57 H CYS 57 8.351 0.227 -7.796 382 HA CYS 57 HA CYS 57 7.206 -2.410 -7.033 383 1HB CYS 57 2HB CYS 57 6.033 0.143 -8.135 384 2HB CYS 57 1HB CYS 57 5.156 -1.374 -8.274 385 H THR 58 H THR 58 5.984 -3.496 -8.903 386 HA THR 58 HA THR 58 7.801 -3.593 -11.236 387 HB THR 58 HB THR 58 6.879 -5.704 -11.699 388 HG1 THR 58 HG1 THR 58 4.660 -4.881 -10.138 389 1HG2 THR 58 1HG2 THR 58 7.270 -6.861 -9.751 390 2HG2 THR 58 2HG2 THR 58 6.253 -5.791 -8.786 391 3HG2 THR 58 3HG2 THR 58 7.877 -5.282 -9.251 392 H GLY 59 H GLY 59 6.252 -4.221 -13.330 393 1HA GLY 59 2HA GLY 59 4.721 -1.731 -13.749 394 2HA GLY 59 1HA GLY 59 5.192 -2.876 -15.003 395 H GLN 60 H GLN 60 3.785 -4.190 -12.122 396 HA GLN 60 HA GLN 60 1.039 -4.118 -13.146 397 1HB GLN 60 2HB GLN 60 0.802 -6.467 -13.570 398 2HB GLN 60 1HB GLN 60 2.235 -5.944 -14.457 399 1HG GLN 60 2HG GLN 60 3.485 -6.589 -12.225 400 2HG GLN 60 1HG GLN 60 2.055 -7.585 -11.951 401 1HE2 GLN 60 1HE2 GLN 60 4.692 -7.003 -14.305 402 2HE2 GLN 60 2HE2 GLN 60 4.620 -8.548 -15.006 403 H SER 61 H SER 61 2.822 -3.712 -10.604 404 HA SER 61 HA SER 61 1.059 -5.321 -8.793 405 1HB SER 61 2HB SER 61 3.307 -6.101 -8.492 406 2HB SER 61 1HB SER 61 3.940 -4.458 -8.456 407 HG SER 61 HG SER 61 3.140 -5.915 -6.425 408 H ALA 62 H ALA 62 -0.302 -4.095 -7.587 409 HA ALA 62 HA ALA 62 0.035 -1.176 -7.541 410 1HB ALA 62 1HB ALA 62 -2.085 -3.013 -6.395 411 2HB ALA 62 2HB ALA 62 -2.214 -2.018 -7.845 412 3HB ALA 62 3HB ALA 62 -2.132 -1.254 -6.258 413 H ASP 63 H ASP 63 0.224 -3.887 -5.250 414 HA ASP 63 HA ASP 63 0.717 -2.083 -2.993 415 1HB ASP 63 2HB ASP 63 1.403 -4.958 -2.811 416 2HB ASP 63 1HB ASP 63 0.571 -3.932 -1.651 417 H CYS 64 H CYS 64 2.764 -2.640 -1.627 418 HA CYS 64 HA CYS 64 5.104 -3.021 -3.439 419 1HB CYS 64 2HB CYS 64 4.959 -0.640 -3.120 420 2HB CYS 64 1HB CYS 64 4.685 -0.831 -1.390 421 HA PRO 65 HA PRO 65 6.079 -5.852 -0.221 422 1HB PRO 65 2HB PRO 65 8.358 -6.756 -1.438 423 2HB PRO 65 1HB PRO 65 6.741 -7.298 -1.889 424 1HG PRO 65 2HG PRO 65 8.601 -5.473 -3.323 425 2HG PRO 65 1HG PRO 65 7.277 -6.460 -3.969 426 1HD PRO 65 2HD PRO 65 7.203 -3.671 -3.473 427 2HD PRO 65 1HD PRO 65 5.814 -4.714 -3.846 428 H ARG 66 H ARG 66 8.727 -6.442 0.463 429 HA ARG 66 HA ARG 66 9.650 -3.828 1.504 430 1HB ARG 66 2HB ARG 66 10.808 -5.165 3.254 431 2HB ARG 66 1HB ARG 66 9.065 -5.436 3.249 432 1HG ARG 66 2HG ARG 66 10.085 -7.304 1.421 433 2HG ARG 66 1HG ARG 66 11.213 -7.333 2.778 434 1HD ARG 66 2HD ARG 66 9.294 -7.603 4.337 435 2HD ARG 66 1HD ARG 66 8.201 -7.652 2.953 436 HE ARG 66 HE ARG 66 10.186 -9.757 3.652 437 1HH1 ARG 66 1HH1 ARG 66 9.822 -9.513 0.698 438 2HH1 ARG 66 2HH1 ARG 66 8.500 -10.591 0.398 439 1HH2 ARG 66 1HH2 ARG 66 7.517 -10.732 3.721 440 2HH2 ARG 66 2HH2 ARG 66 7.195 -11.281 2.110 441 H TYR 67 H TYR 67 11.748 -3.156 1.112 442 HA TYR 67 HA TYR 67 13.912 -4.811 0.330 443 1HB TYR 67 2HB TYR 67 12.050 -4.502 -1.743 444 2HB TYR 67 1HB TYR 67 13.363 -3.388 -2.125 445 HD1 TYR 67 HD1 TYR 67 12.275 -6.713 -2.443 446 HD2 TYR 67 HD2 TYR 67 15.808 -4.391 -1.680 447 HE1 TYR 67 HE1 TYR 67 13.686 -8.621 -3.165 448 HE2 TYR 67 HE2 TYR 67 17.218 -6.299 -2.404 449 HH TYR 67 HH TYR 67 17.120 -8.652 -2.692 450 H HIS 68 HN HIS 68 14.246 -2.995 2.061 451 HA HIS 68 HA HIS 68 15.476 -0.677 0.641 452 1HB HIS 68 2HB HIS 68 14.754 0.742 2.612 453 2HB HIS 68 1HB HIS 68 13.432 0.197 1.578 454 HD1 HIS 68 HD1 HIS 68 11.770 -1.511 2.553 455 HD2 HIS 68 HD2 HIS 68 14.871 -0.564 5.172 456 HE1 HIS 68 HE1 HIS 68 11.132 -2.486 4.802 Start of MODEL 18 1 1H GLY 1 1HT GLY 1 -12.629 -12.045 3.569 2 2H GLY 1 2HT GLY 1 -12.884 -13.563 2.851 3 3H GLY 1 3HT GLY 1 -14.209 -12.612 3.330 4 1HA GLY 1 1HA GLY 1 -12.279 -11.958 1.170 5 2HA GLY 1 2HA GLY 1 -13.942 -12.499 0.945 6 H LYS 2 H LYS 2 -14.364 -10.455 -0.166 7 HA LYS 2 HA LYS 2 -15.533 -8.465 1.513 8 1HB LYS 2 2HB LYS 2 -13.995 -6.606 1.211 9 2HB LYS 2 1HB LYS 2 -13.117 -7.946 1.949 10 1HG LYS 2 2HG LYS 2 -12.246 -8.607 -0.257 11 2HG LYS 2 1HG LYS 2 -13.136 -7.284 -1.010 12 1HD LYS 2 2HD LYS 2 -11.839 -5.834 0.799 13 2HD LYS 2 1HD LYS 2 -10.703 -7.182 0.728 14 1HE LYS 2 2HE LYS 2 -10.128 -6.768 -1.473 15 2HE LYS 2 1HE LYS 2 -11.694 -6.048 -1.855 16 1HZ LYS 2 1HZ LYS 2 -10.409 -4.512 0.124 17 2HZ LYS 2 2HZ LYS 2 -10.871 -4.053 -1.445 18 3HZ LYS 2 3HZ LYS 2 -9.341 -4.738 -1.173 19 H GLU 3 H GLU 3 -16.822 -7.085 0.273 20 HA GLU 3 HA GLU 3 -16.623 -7.469 -2.692 21 1HB GLU 3 2HB GLU 3 -19.152 -6.661 -2.435 22 2HB GLU 3 1HB GLU 3 -18.710 -8.356 -2.226 23 1HG GLU 3 2HG GLU 3 -18.571 -8.046 0.203 24 2HG GLU 3 1HG GLU 3 -18.944 -6.331 0.021 25 H CYS 4 H CYS 4 -15.054 -5.616 -2.495 26 HA CYS 4 HA CYS 4 -16.202 -3.208 -3.383 27 1HB CYS 4 2HB CYS 4 -16.896 -3.162 -0.912 28 2HB CYS 4 1HB CYS 4 -15.204 -2.832 -0.612 29 H ASP 5 H ASP 5 -14.403 -4.125 -4.701 30 HA ASP 5 HA ASP 5 -11.732 -4.277 -4.228 31 1HB ASP 5 2HB ASP 5 -12.967 -4.321 -6.478 32 2HB ASP 5 1HB ASP 5 -12.737 -2.573 -6.508 33 H CYS 6 H CYS 6 -13.625 -1.306 -4.079 34 HA CYS 6 HA CYS 6 -11.095 0.164 -3.437 35 1HB CYS 6 2HB CYS 6 -13.648 0.955 -4.746 36 2HB CYS 6 1HB CYS 6 -12.862 2.161 -3.732 37 H SER 7 H SER 7 -11.381 1.885 -1.723 38 HA SER 7 HA SER 7 -13.082 0.790 0.469 39 1HB SER 7 2HB SER 7 -11.410 2.606 1.664 40 2HB SER 7 1HB SER 7 -11.068 0.883 1.521 41 HG SER 7 HG SER 7 -9.932 1.319 -0.376 42 H SER 8 H SER 8 -13.367 3.043 -1.839 43 HA SER 8 HA SER 8 -14.941 4.830 -0.052 44 1HB SER 8 2HB SER 8 -12.586 5.550 -1.502 45 2HB SER 8 1HB SER 8 -13.961 6.382 -2.220 46 HG SER 8 HG SER 8 -12.748 7.220 -0.194 47 HA PRO 9 HA PRO 9 -17.978 4.074 -3.170 48 1HB PRO 9 2HB PRO 9 -19.815 5.914 -2.290 49 2HB PRO 9 1HB PRO 9 -19.537 4.356 -1.493 50 1HG PRO 9 2HG PRO 9 -18.715 7.082 -0.616 51 2HG PRO 9 1HG PRO 9 -19.003 5.630 0.357 52 1HD PRO 9 2HD PRO 9 -16.468 6.663 -0.406 53 2HD PRO 9 1HD PRO 9 -16.782 5.073 0.326 54 H GLU 10 H GLU 10 -15.916 6.588 -3.208 55 HA GLU 10 HA GLU 10 -17.330 7.903 -5.492 56 1HB GLU 10 2HB GLU 10 -15.399 9.404 -3.735 57 2HB GLU 10 1HB GLU 10 -16.679 10.038 -4.770 58 1HG GLU 10 2HG GLU 10 -17.942 10.159 -2.899 59 2HG GLU 10 1HG GLU 10 -18.045 8.401 -2.990 60 H ASN 11 H ASN 11 -15.011 5.825 -4.910 61 HA ASN 11 HA ASN 11 -12.718 7.069 -6.172 62 1HB ASN 11 2HB ASN 11 -13.157 4.776 -4.650 63 2HB ASN 11 1HB ASN 11 -12.748 4.158 -6.249 64 1HD2 ASN 11 1HD2 ASN 11 -10.938 3.825 -4.074 65 2HD2 ASN 11 2HD2 ASN 11 -9.566 4.784 -4.353 66 HA PRO 12 HA PRO 12 -14.248 6.306 -10.287 67 1HB PRO 12 2HB PRO 12 -12.045 7.312 -11.585 68 2HB PRO 12 1HB PRO 12 -13.309 8.330 -10.871 69 1HG PRO 12 2HG PRO 12 -10.547 7.803 -9.885 70 2HG PRO 12 1HG PRO 12 -11.594 9.202 -9.596 71 1HD PRO 12 2HD PRO 12 -11.118 7.068 -7.788 72 2HD PRO 12 1HD PRO 12 -12.376 8.313 -7.635 73 H CYS 13 H CYS 13 -12.045 4.546 -8.649 74 HA CYS 13 HA CYS 13 -11.004 3.063 -11.018 75 1HB CYS 13 2HB CYS 13 -10.234 2.822 -8.101 76 2HB CYS 13 1HB CYS 13 -9.425 2.048 -9.461 77 H CYS 14 H CYS 14 -13.326 2.871 -8.483 78 HA CYS 14 HA CYS 14 -13.875 0.071 -9.339 79 1HB CYS 14 2HB CYS 14 -14.124 0.989 -6.481 80 2HB CYS 14 1HB CYS 14 -14.160 -0.660 -7.092 81 H ASP 15 H ASP 15 -15.945 -0.101 -10.009 82 HA ASP 15 HA ASP 15 -17.874 1.831 -10.183 83 1HB ASP 15 2HB ASP 15 -17.922 -0.663 -10.910 84 2HB ASP 15 1HB ASP 15 -18.682 -0.919 -9.348 85 H ALA 16 H ALA 16 -18.932 3.073 -8.720 86 HA ALA 16 HA ALA 16 -18.775 2.396 -5.878 87 1HB ALA 16 1HB ALA 16 -19.164 4.619 -5.481 88 2HB ALA 16 2HB ALA 16 -20.335 4.752 -6.791 89 3HB ALA 16 3HB ALA 16 -18.608 4.763 -7.148 90 H ALA 17 H ALA 17 -20.752 1.356 -8.222 91 HA ALA 17 HA ALA 17 -23.228 1.579 -6.573 92 1HB ALA 17 1HB ALA 17 -23.437 2.305 -8.930 93 2HB ALA 17 2HB ALA 17 -24.421 0.874 -8.617 94 3HB ALA 17 3HB ALA 17 -22.882 0.719 -9.464 95 H THR 18 H THR 18 -20.681 -0.495 -7.346 96 HA THR 18 HA THR 18 -22.190 -2.792 -6.222 97 HB THR 18 HB THR 18 -20.958 -2.550 -8.877 98 HG1 THR 18 HG1 THR 18 -22.417 -4.431 -9.089 99 1HG2 THR 18 1HG2 THR 18 -19.238 -3.964 -7.893 100 2HG2 THR 18 2HG2 THR 18 -20.260 -4.943 -8.944 101 3HG2 THR 18 3HG2 THR 18 -20.468 -5.018 -7.194 102 H CYS 19 H CYS 19 -19.707 -0.721 -5.801 103 HA CYS 19 HA CYS 19 -17.648 -0.824 -4.662 104 1HB CYS 19 2HB CYS 19 -19.565 -2.480 -3.283 105 2HB CYS 19 1HB CYS 19 -17.943 -3.078 -3.048 106 H LYS 20 H LYS 20 -16.586 -1.454 -6.676 107 HA LYS 20 HA LYS 20 -14.853 -3.692 -6.387 108 1HB LYS 20 2HB LYS 20 -17.349 -4.175 -7.961 109 2HB LYS 20 1HB LYS 20 -15.831 -4.827 -8.582 110 1HG LYS 20 2HG LYS 20 -15.720 -5.473 -5.890 111 2HG LYS 20 1HG LYS 20 -17.424 -5.704 -6.281 112 1HD LYS 20 2HD LYS 20 -15.316 -6.793 -8.128 113 2HD LYS 20 1HD LYS 20 -15.740 -7.680 -6.663 114 1HE LYS 20 2HE LYS 20 -18.215 -7.226 -7.514 115 2HE LYS 20 1HE LYS 20 -17.411 -7.104 -9.078 116 1HZ LYS 20 1HZ LYS 20 -18.138 -9.411 -7.783 117 2HZ LYS 20 2HZ LYS 20 -16.452 -9.328 -7.586 118 3HZ LYS 20 3HZ LYS 20 -17.131 -9.289 -9.142 119 H LEU 21 H LEU 21 -13.325 -3.785 -8.231 120 HA LEU 21 HA LEU 21 -12.635 -1.293 -9.279 121 1HB LEU 21 2HB LEU 21 -12.036 -4.074 -10.067 122 2HB LEU 21 1HB LEU 21 -11.879 -2.884 -11.357 123 HG LEU 21 HG LEU 21 -10.547 -2.637 -8.644 124 1HD1 LEU 21 1HD1 LEU 21 -9.506 -3.550 -11.326 125 2HD1 LEU 21 2HD1 LEU 21 -9.487 -4.448 -9.809 126 3HD1 LEU 21 3HD1 LEU 21 -8.454 -3.032 -10.009 127 1HD2 LEU 21 1HD2 LEU 21 -10.843 -0.881 -10.984 128 2HD2 LEU 21 2HD2 LEU 21 -9.204 -1.017 -10.345 129 3HD2 LEU 21 3HD2 LEU 21 -10.517 -0.476 -9.299 130 H ARG 22 H ARG 22 -12.566 -0.880 -11.708 131 HA ARG 22 HA ARG 22 -15.260 -1.369 -12.884 132 1HB ARG 22 2HB ARG 22 -13.907 1.108 -12.320 133 2HB ARG 22 1HB ARG 22 -14.026 0.919 -14.070 134 1HG ARG 22 2HG ARG 22 -16.522 0.101 -13.164 135 2HG ARG 22 1HG ARG 22 -16.133 1.466 -12.118 136 1HD ARG 22 2HD ARG 22 -16.524 2.917 -13.791 137 2HD ARG 22 1HD ARG 22 -15.375 2.078 -14.833 138 HE ARG 22 HE ARG 22 -18.181 1.085 -14.561 139 1HH1 ARG 22 1HH1 ARG 22 -16.487 3.205 -16.463 140 2HH1 ARG 22 2HH1 ARG 22 -16.727 2.365 -17.959 141 1HH2 ARG 22 1HH2 ARG 22 -18.071 -0.459 -16.460 142 2HH2 ARG 22 2HH2 ARG 22 -17.624 0.289 -17.957 143 HA PRO 23 HA PRO 23 -12.980 -3.317 -16.129 144 1HB PRO 23 2HB PRO 23 -14.824 -2.938 -18.153 145 2HB PRO 23 1HB PRO 23 -14.980 -4.173 -16.889 146 1HG PRO 23 2HG PRO 23 -16.361 -1.510 -17.106 147 2HG PRO 23 1HG PRO 23 -16.977 -3.043 -16.459 148 1HD PRO 23 2HD PRO 23 -16.083 -0.977 -14.835 149 2HD PRO 23 1HD PRO 23 -16.059 -2.682 -14.363 150 H GLY 24 H GLY 24 -11.565 -1.247 -15.864 151 1HA GLY 24 2HA GLY 24 -10.776 -0.253 -18.373 152 2HA GLY 24 1HA GLY 24 -11.786 0.983 -17.614 153 H ALA 25 H ALA 25 -9.767 -1.281 -15.820 154 HA ALA 25 HA ALA 25 -7.553 0.530 -15.429 155 1HB ALA 25 1HB ALA 25 -9.870 0.588 -13.581 156 2HB ALA 25 2HB ALA 25 -8.651 1.824 -13.890 157 3HB ALA 25 3HB ALA 25 -8.289 0.480 -12.809 158 H GLN 26 H GLN 26 -6.344 -0.386 -13.235 159 HA GLN 26 HA GLN 26 -6.651 -3.356 -13.312 160 1HB GLN 26 2HB GLN 26 -4.502 -1.879 -14.374 161 2HB GLN 26 1HB GLN 26 -3.904 -2.554 -12.858 162 1HG GLN 26 2HG GLN 26 -3.503 -4.383 -14.176 163 2HG GLN 26 1HG GLN 26 -5.199 -4.714 -13.833 164 1HE2 GLN 26 1HE2 GLN 26 -2.937 -3.975 -16.352 165 2HE2 GLN 26 2HE2 GLN 26 -4.064 -3.829 -17.613 166 H CYS 27 H CYS 27 -7.087 -0.863 -11.342 167 HA CYS 27 HA CYS 27 -6.914 -2.393 -8.977 168 1HB CYS 27 2HB CYS 27 -4.659 -2.408 -8.708 169 2HB CYS 27 1HB CYS 27 -4.429 -1.042 -9.780 170 H GLY 28 H GLY 28 -7.362 -1.045 -7.016 171 1HA GLY 28 2HA GLY 28 -8.866 1.390 -7.824 172 2HA GLY 28 1HA GLY 28 -9.196 0.435 -6.383 173 H GLU 29 H GLU 29 -6.352 0.205 -5.684 174 HA GLU 29 HA GLU 29 -5.188 2.814 -5.420 175 1HB GLU 29 2HB GLU 29 -5.664 3.168 -3.019 176 2HB GLU 29 1HB GLU 29 -7.139 3.195 -3.985 177 1HG GLU 29 2HG GLU 29 -7.920 1.670 -2.503 178 2HG GLU 29 1HG GLU 29 -6.898 0.522 -3.370 179 H GLY 30 H GLY 30 -3.083 2.592 -4.706 180 1HA GLY 30 2HA GLY 30 -2.138 0.643 -2.866 181 2HA GLY 30 1HA GLY 30 -1.912 0.010 -4.498 182 H LEU 31 H LEU 31 0.363 0.484 -3.035 183 HA LEU 31 HA LEU 31 1.448 3.114 -3.239 184 1HB LEU 31 2HB LEU 31 2.427 0.444 -2.663 185 2HB LEU 31 1HB LEU 31 3.618 1.425 -3.503 186 HG LEU 31 HG LEU 31 3.634 1.578 -0.957 187 1HD1 LEU 31 1HD1 LEU 31 3.053 4.237 -2.261 188 2HD1 LEU 31 2HD1 LEU 31 4.499 3.315 -2.675 189 3HD1 LEU 31 3HD1 LEU 31 4.247 3.861 -1.018 190 1HD2 LEU 31 1HD2 LEU 31 1.068 1.645 -0.887 191 2HD2 LEU 31 2HD2 LEU 31 1.205 3.329 -1.391 192 3HD2 LEU 31 3HD2 LEU 31 1.908 2.806 0.140 193 H CYS 32 H CYS 32 0.774 0.753 -5.600 194 HA CYS 32 HA CYS 32 2.290 2.340 -7.625 195 1HB CYS 32 2HB CYS 32 1.971 -0.421 -8.450 196 2HB CYS 32 1HB CYS 32 3.447 0.525 -8.318 197 H CYS 33 H CYS 33 -0.220 3.099 -7.285 198 HA CYS 33 HA CYS 33 -1.675 1.801 -9.544 199 1HB CYS 33 2HB CYS 33 -2.711 2.428 -6.782 200 2HB CYS 33 1HB CYS 33 -3.800 2.299 -8.162 201 H GLU 34 H GLU 34 -0.987 3.653 -10.830 202 HA GLU 34 HA GLU 34 -1.481 6.370 -10.081 203 1HB GLU 34 2HB GLU 34 -1.237 6.897 -12.438 204 2HB GLU 34 1HB GLU 34 -0.056 5.655 -12.020 205 1HG GLU 34 2HG GLU 34 -1.134 4.025 -13.233 206 2HG GLU 34 1HG GLU 34 -2.729 4.725 -12.962 207 H GLN 35 H GLN 35 -3.090 7.075 -12.454 208 HA GLN 35 HA GLN 35 -5.648 7.198 -11.250 209 1HB GLN 35 2HB GLN 35 -6.472 7.839 -13.495 210 2HB GLN 35 1HB GLN 35 -4.971 8.677 -13.100 211 1HG GLN 35 2HG GLN 35 -4.260 6.199 -14.306 212 2HG GLN 35 1HG GLN 35 -5.503 6.938 -15.317 213 1HE2 GLN 35 1HE2 GLN 35 -4.850 8.653 -16.654 214 2HE2 GLN 35 2HE2 GLN 35 -3.340 9.421 -16.560 215 H CYS 36 H CYS 36 -6.187 5.073 -10.515 216 HA CYS 36 HA CYS 36 -6.989 2.876 -10.693 217 1HB CYS 36 2HB CYS 36 -8.230 3.863 -13.269 218 2HB CYS 36 1HB CYS 36 -8.861 2.651 -12.150 219 H LYS 37 H LYS 37 -4.363 3.069 -11.711 220 HA LYS 37 HA LYS 37 -4.420 0.812 -13.576 221 1HB LYS 37 2HB LYS 37 -3.902 3.579 -14.501 222 2HB LYS 37 1HB LYS 37 -2.760 2.360 -15.066 223 1HG LYS 37 2HG LYS 37 -4.715 0.957 -15.795 224 2HG LYS 37 1HG LYS 37 -5.774 2.305 -15.381 225 1HD LYS 37 2HD LYS 37 -4.732 3.730 -17.017 226 2HD LYS 37 1HD LYS 37 -3.462 2.543 -17.319 227 1HE LYS 37 2HE LYS 37 -5.117 2.402 -19.103 228 2HE LYS 37 1HE LYS 37 -5.209 0.944 -18.116 229 1HZ LYS 37 1HZ LYS 37 -7.306 1.404 -17.646 230 2HZ LYS 37 2HZ LYS 37 -7.242 2.757 -18.671 231 3HZ LYS 37 3HZ LYS 37 -6.882 2.921 -17.019 232 H PHE 38 H PHE 38 -2.612 -0.431 -13.280 233 HA PHE 38 HA PHE 38 -0.805 -0.043 -11.179 234 1HB PHE 38 2HB PHE 38 -0.409 -1.479 -13.817 235 2HB PHE 38 1HB PHE 38 0.717 -1.606 -12.466 236 HD1 PHE 38 HD1 PHE 38 -1.621 -1.417 -10.328 237 HD2 PHE 38 HD2 PHE 38 -0.929 -3.856 -13.799 238 HE1 PHE 38 HE1 PHE 38 -3.032 -3.208 -9.356 239 HE2 PHE 38 HE2 PHE 38 -2.338 -5.644 -12.820 240 HZ PHE 38 HZ PHE 38 -3.390 -5.320 -10.600 241 H SER 39 H SER 39 0.759 1.485 -10.871 242 HA SER 39 HA SER 39 1.438 3.431 -12.836 243 1HB SER 39 2HB SER 39 2.268 2.758 -10.129 244 2HB SER 39 1HB SER 39 3.593 3.391 -11.095 245 HG SER 39 HG SER 39 2.709 5.254 -10.719 246 H ARG 40 H ARG 40 4.187 3.617 -13.013 247 HA ARG 40 HA ARG 40 4.784 1.282 -14.707 248 1HB ARG 40 2HB ARG 40 5.394 4.087 -14.826 249 2HB ARG 40 1HB ARG 40 6.871 3.129 -14.936 250 1HG ARG 40 2HG ARG 40 6.067 1.920 -16.823 251 2HG ARG 40 1HG ARG 40 4.417 2.495 -16.581 252 1HD ARG 40 2HD ARG 40 6.558 4.538 -17.002 253 2HD ARG 40 1HD ARG 40 6.012 3.611 -18.401 254 HE ARG 40 HE ARG 40 4.087 5.126 -16.683 255 1HH1 ARG 40 1HH1 ARG 40 3.260 3.313 -19.007 256 2HH1 ARG 40 2HH1 ARG 40 3.009 4.481 -20.261 257 1HH2 ARG 40 1HH2 ARG 40 4.693 7.018 -18.600 258 2HH2 ARG 40 2HH2 ARG 40 3.821 6.579 -20.030 259 H ALA 41 H ALA 41 6.187 -0.229 -14.078 260 HA ALA 41 HA ALA 41 7.287 -0.578 -11.571 261 1HB ALA 41 1HB ALA 41 7.342 -2.182 -13.575 262 2HB ALA 41 2HB ALA 41 8.762 -2.192 -12.528 263 3HB ALA 41 3HB ALA 41 8.810 -1.341 -14.071 264 H GLY 42 H GLY 42 9.673 -0.493 -10.965 265 1HA GLY 42 2HA GLY 42 11.656 0.718 -10.660 266 2HA GLY 42 1HA GLY 42 11.345 1.498 -12.210 267 H LYS 43 H LYS 43 8.795 1.562 -9.868 268 HA LYS 43 HA LYS 43 9.327 4.465 -9.493 269 1HB LYS 43 2HB LYS 43 7.002 4.758 -9.078 270 2HB LYS 43 1HB LYS 43 7.077 3.614 -10.419 271 1HG LYS 43 2HG LYS 43 7.077 1.797 -8.568 272 2HG LYS 43 1HG LYS 43 6.472 3.077 -7.519 273 1HD LYS 43 2HD LYS 43 4.525 2.020 -8.387 274 2HD LYS 43 1HD LYS 43 4.698 3.506 -9.320 275 1HE LYS 43 2HE LYS 43 5.108 2.388 -11.247 276 2HE LYS 43 1HE LYS 43 6.168 1.225 -10.453 277 1HZ LYS 43 1HZ LYS 43 3.979 0.379 -11.399 278 2HZ LYS 43 2HZ LYS 43 3.237 1.153 -10.081 279 3HZ LYS 43 3HZ LYS 43 4.372 -0.084 -9.818 280 H ILE 44 H ILE 44 9.665 5.270 -7.399 281 HA ILE 44 HA ILE 44 10.379 3.302 -5.376 282 HB ILE 44 HB ILE 44 11.642 5.381 -5.587 283 1HG1 ILE 44 2HG1 ILE 44 11.329 6.205 -3.166 284 2HG1 ILE 44 1HG1 ILE 44 10.047 4.997 -3.045 285 1HG2 ILE 44 1HG2 ILE 44 9.642 7.133 -4.403 286 2HG2 ILE 44 2HG2 ILE 44 9.115 6.500 -5.962 287 3HG2 ILE 44 3HG2 ILE 44 10.637 7.381 -5.837 288 1HD1 ILE 44 1HD1 ILE 44 12.649 4.087 -4.173 289 2HD1 ILE 44 2HD1 ILE 44 11.513 3.230 -3.130 290 3HD1 ILE 44 3HD1 ILE 44 12.605 4.432 -2.444 291 H CYS 45 H CYS 45 8.847 2.265 -4.309 292 HA CYS 45 HA CYS 45 6.274 3.563 -3.656 293 1HB CYS 45 2HB CYS 45 5.734 1.280 -2.734 294 2HB CYS 45 1HB CYS 45 6.130 1.290 -4.452 295 H ARG 46 H ARG 46 9.307 2.650 -2.156 296 HA ARG 46 HA ARG 46 8.319 3.881 0.355 297 1HB ARG 46 2HB ARG 46 8.804 1.094 0.013 298 2HB ARG 46 1HB ARG 46 10.080 1.738 1.048 299 1HG ARG 46 2HG ARG 46 8.585 1.587 2.736 300 2HG ARG 46 1HG ARG 46 7.799 2.988 2.009 301 1HD ARG 46 2HD ARG 46 6.555 1.306 0.514 302 2HD ARG 46 1HD ARG 46 7.122 0.068 1.635 303 HE ARG 46 HE ARG 46 5.794 2.310 2.956 304 1HH1 ARG 46 1HH2 ARG 46 5.330 -0.598 1.161 305 2HH1 ARG 46 2HH2 ARG 46 3.895 -1.052 2.018 306 1HH2 ARG 46 1HH1 ARG 46 3.987 1.672 4.157 307 2HH2 ARG 46 2HH1 ARG 46 3.137 0.231 3.713 308 H ILE 47 H ILE 47 10.666 3.349 1.842 309 HA ILE 47 HA ILE 47 12.884 4.473 0.237 310 HB ILE 47 HB ILE 47 11.654 6.441 1.052 311 1HG1 ILE 47 2HG1 ILE 47 14.197 5.933 2.628 312 2HG1 ILE 47 1HG1 ILE 47 14.126 6.529 0.969 313 1HG2 ILE 47 1HG2 ILE 47 12.223 6.092 3.879 314 2HG2 ILE 47 2HG2 ILE 47 11.170 4.808 3.280 315 3HG2 ILE 47 3HG2 ILE 47 10.698 6.498 3.091 316 1HD1 ILE 47 1HD1 ILE 47 12.696 8.440 1.836 317 2HD1 ILE 47 2HD1 ILE 47 14.376 8.458 2.373 318 3HD1 ILE 47 3HD1 ILE 47 13.107 7.902 3.464 319 H ALA 48 H ALA 48 14.928 4.473 1.553 320 HA ALA 48 HA ALA 48 14.816 2.436 3.704 321 1HB ALA 48 1HB ALA 48 15.793 1.321 1.842 322 2HB ALA 48 2HB ALA 48 17.159 1.791 2.849 323 3HB ALA 48 3HB ALA 48 16.760 2.730 1.409 324 H ARG 49 H ARG 49 17.114 2.551 4.931 325 HA ARG 49 HA ARG 49 17.232 5.026 6.313 326 1HB ARG 49 2HB ARG 49 19.168 2.778 6.052 327 2HB ARG 49 1HB ARG 49 19.478 4.149 7.108 328 1HG ARG 49 2HG ARG 49 16.979 2.437 7.249 329 2HG ARG 49 1HG ARG 49 18.390 2.202 8.281 330 1HD ARG 49 2HD ARG 49 17.620 4.988 8.275 331 2HD ARG 49 1HD ARG 49 16.243 3.979 8.720 332 HE ARG 49 HE ARG 49 18.769 4.228 10.238 333 1HH1 ARG 49 1HH2 ARG 49 17.082 1.518 9.691 334 2HH1 ARG 49 2HH2 ARG 49 16.397 1.344 11.272 335 1HH2 ARG 49 1HH1 ARG 49 17.305 4.530 12.301 336 2HH2 ARG 49 2HH1 ARG 49 16.523 3.052 12.751 337 H GLY 50 H GLY 50 20.235 3.946 4.920 338 1HA GLY 50 2HA GLY 50 20.383 6.199 3.073 339 2HA GLY 50 1HA GLY 50 21.502 6.270 4.430 340 H ASP 51 H ASP 51 21.095 5.135 1.293 341 HA ASP 51 HA ASP 51 22.683 4.032 -0.067 342 1HB ASP 51 2HB ASP 51 24.153 4.521 2.251 343 2HB ASP 51 1HB ASP 51 24.287 2.785 1.974 344 H TRP 52 H TRP 52 21.455 2.403 -0.841 345 HA TRP 52 HA TRP 52 21.893 -0.275 -0.291 346 1HB TRP 52 2HB TRP 52 19.453 -0.632 0.836 347 2HB TRP 52 1HB TRP 52 20.939 -0.526 1.764 348 HD1 TRP 52 HD1 TRP 52 20.040 0.626 3.852 349 HE1 TRP 52 HE1 TRP 52 19.016 2.920 4.323 350 HE3 TRP 52 HE3 TRP 52 19.209 2.287 -0.909 351 HZ2 TRP 52 HZ2 TRP 52 17.997 5.172 2.892 352 HZ3 TRP 52 HZ3 TRP 52 18.219 4.510 -1.308 353 HH2 TRP 52 HH2 TRP 52 17.616 5.947 0.622 354 H ASN 53 H ASN 53 19.351 -1.443 -0.732 355 HA ASN 53 HA ASN 53 18.764 -0.338 -3.432 356 1HB ASN 53 2HB ASN 53 18.898 -3.016 -2.267 357 2HB ASN 53 1HB ASN 53 17.408 -2.749 -3.172 358 1HD2 ASN 53 1HD2 ASN 53 17.584 -2.351 -5.486 359 2HD2 ASN 53 2HD2 ASN 53 19.035 -2.603 -6.327 360 H ASP 54 H ASP 54 17.180 1.230 -3.087 361 HA ASP 54 HA ASP 54 15.092 1.098 -1.144 362 1HB ASP 54 2HB ASP 54 15.881 2.838 -3.267 363 2HB ASP 54 1HB ASP 54 14.156 2.513 -3.425 364 H ASP 55 H ASP 55 12.679 1.037 -1.895 365 HA ASP 55 HA ASP 55 12.329 -1.489 -3.407 366 1HB ASP 55 2HB ASP 55 10.107 -0.031 -2.056 367 2HB ASP 55 1HB ASP 55 10.304 -1.761 -2.296 368 H ARG 56 H ARG 56 11.362 -1.532 -5.410 369 HA ARG 56 HA ARG 56 10.102 0.993 -6.360 370 1HB ARG 56 2HB ARG 56 11.956 -0.777 -7.922 371 2HB ARG 56 1HB ARG 56 11.124 0.631 -8.567 372 1HG ARG 56 2HG ARG 56 12.385 1.518 -6.215 373 2HG ARG 56 1HG ARG 56 13.579 0.508 -7.032 374 1HD ARG 56 2HD ARG 56 13.164 1.788 -9.136 375 2HD ARG 56 1HD ARG 56 12.071 2.844 -8.243 376 HE ARG 56 HE ARG 56 14.162 3.316 -6.774 377 1HH1 ARG 56 1HH1 ARG 56 13.930 4.732 -9.494 378 2HH1 ARG 56 2HH1 ARG 56 15.543 4.535 -10.095 379 1HH2 ARG 56 1HH2 ARG 56 16.380 2.068 -7.808 380 2HH2 ARG 56 2HH2 ARG 56 16.929 3.027 -9.141 381 H CYS 57 H CYS 57 7.953 0.492 -6.706 382 HA CYS 57 HA CYS 57 6.882 -2.088 -6.950 383 1HB CYS 57 2HB CYS 57 5.909 0.539 -8.077 384 2HB CYS 57 1HB CYS 57 5.022 -0.956 -8.323 385 H THR 58 H THR 58 6.300 -3.372 -8.756 386 HA THR 58 HA THR 58 8.141 -3.094 -11.036 387 HB THR 58 HB THR 58 7.524 -5.342 -11.593 388 HG1 THR 58 HG1 THR 58 5.762 -6.315 -10.393 389 1HG2 THR 58 1HG2 THR 58 7.793 -6.514 -9.387 390 2HG2 THR 58 2HG2 THR 58 7.600 -4.953 -8.590 391 3HG2 THR 58 3HG2 THR 58 8.975 -5.233 -9.657 392 H GLY 59 H GLY 59 6.345 -4.465 -12.901 393 1HA GLY 59 1HA GLY 59 4.606 -2.130 -13.573 394 2HA GLY 59 2HA GLY 59 5.281 -3.247 -14.760 395 H GLN 60 H GLN 60 4.250 -4.892 -11.991 396 HA GLN 60 HA GLN 60 1.518 -5.325 -13.089 397 1HB GLN 60 2HB GLN 60 3.610 -7.449 -12.577 398 2HB GLN 60 1HB GLN 60 1.890 -7.818 -12.709 399 1HG GLN 60 2HG GLN 60 2.457 -6.155 -14.905 400 2HG GLN 60 1HG GLN 60 3.806 -7.289 -14.819 401 1HE2 GLN 60 1HE2 GLN 60 0.518 -6.949 -15.780 402 2HE2 GLN 60 2HE2 GLN 60 0.204 -8.587 -16.089 403 H SER 61 H SER 61 3.299 -4.494 -10.458 404 HA SER 61 HA SER 61 1.428 -5.879 -8.575 405 1HB SER 61 2HB SER 61 4.244 -5.654 -8.530 406 2HB SER 61 1HB SER 61 3.646 -4.618 -7.238 407 HG SER 61 HG SER 61 2.954 -6.324 -6.200 408 H ALA 62 H ALA 62 -0.053 -4.587 -7.583 409 HA ALA 62 HA ALA 62 0.182 -1.660 -7.890 410 1HB ALA 62 1HB ALA 62 -1.986 -3.588 -7.274 411 2HB ALA 62 2HB ALA 62 -2.029 -2.116 -8.243 412 3HB ALA 62 3HB ALA 62 -2.113 -2.016 -6.485 413 H ASP 63 H ASP 63 1.186 -3.930 -5.648 414 HA ASP 63 HA ASP 63 0.982 -1.947 -3.420 415 1HB ASP 63 2HB ASP 63 1.467 -4.896 -3.136 416 2HB ASP 63 1HB ASP 63 1.046 -3.755 -1.865 417 H CYS 64 H CYS 64 2.917 -2.488 -1.769 418 HA CYS 64 HA CYS 64 5.392 -2.819 -3.403 419 1HB CYS 64 2HB CYS 64 5.168 -0.453 -3.058 420 2HB CYS 64 1HB CYS 64 4.784 -0.676 -1.353 421 HA PRO 65 HA PRO 65 6.261 -5.668 -0.156 422 1HB PRO 65 2HB PRO 65 8.611 -6.513 -1.275 423 2HB PRO 65 1HB PRO 65 7.031 -7.090 -1.803 424 1HG PRO 65 2HG PRO 65 8.909 -5.213 -3.140 425 2HG PRO 65 1HG PRO 65 7.644 -6.231 -3.850 426 1HD PRO 65 2HD PRO 65 7.469 -3.448 -3.352 427 2HD PRO 65 1HD PRO 65 6.127 -4.527 -3.788 428 H ARG 66 H ARG 66 9.010 -6.155 0.502 429 HA ARG 66 HA ARG 66 9.980 -3.479 1.319 430 1HB ARG 66 2HB ARG 66 9.903 -5.909 3.123 431 2HB ARG 66 1HB ARG 66 10.449 -4.290 3.563 432 1HG ARG 66 2HG ARG 66 8.172 -3.416 3.068 433 2HG ARG 66 1HG ARG 66 7.638 -5.062 2.728 434 1HD ARG 66 2HD ARG 66 7.434 -5.546 4.924 435 2HD ARG 66 1HD ARG 66 9.026 -4.877 5.287 436 HE ARG 66 HE ARG 66 6.494 -3.503 5.628 437 1HH1 ARG 66 1HH1 ARG 66 9.540 -3.317 6.676 438 2HH1 ARG 66 2HH1 ARG 66 9.777 -1.620 6.427 439 1HH2 ARG 66 1HH2 ARG 66 6.914 -1.233 4.508 440 2HH2 ARG 66 2HH2 ARG 66 8.290 -0.439 5.200 441 H TYR 67 H TYR 67 12.273 -3.358 1.601 442 HA TYR 67 HA TYR 67 13.962 -5.674 1.243 443 1HB TYR 67 2HB TYR 67 12.953 -4.739 -1.110 444 2HB TYR 67 1HB TYR 67 14.432 -3.794 -0.963 445 HD1 TYR 67 HD1 TYR 67 13.295 -7.321 -0.382 446 HD2 TYR 67 HD2 TYR 67 16.367 -4.712 -1.862 447 HE1 TYR 67 HE1 TYR 67 14.629 -9.292 -1.079 448 HE2 TYR 67 HE2 TYR 67 17.704 -6.681 -2.560 449 HH TYR 67 HH TYR 67 16.679 -9.495 -3.112 450 H HIS 68 HN HIS 68 13.946 -3.811 3.255 451 HA HIS 68 HA HIS 68 16.485 -2.329 2.724 452 1HB HIS 68 2HB HIS 68 15.575 -0.547 4.294 453 2HB HIS 68 1HB HIS 68 14.784 -0.634 2.721 454 HD1 HIS 68 HD1 HIS 68 14.294 -2.145 6.197 455 HD2 HIS 68 HD2 HIS 68 12.043 -0.826 2.945 456 HE1 HIS 68 HE1 HIS 68 11.863 -2.372 6.869 Start of MODEL 19 1 1H GLY 1 1HT GLY 1 -12.123 -16.410 -2.279 2 2H GLY 1 2HT GLY 1 -13.694 -15.768 -2.345 3 3H GLY 1 3HT GLY 1 -13.291 -16.915 -1.157 4 1HA GLY 1 1HA GLY 1 -12.929 -15.201 0.195 5 2HA GLY 1 2HA GLY 1 -11.455 -14.962 -0.744 6 H LYS 2 H LYS 2 -11.557 -12.663 -0.543 7 HA LYS 2 HA LYS 2 -13.411 -11.409 -2.467 8 1HB LYS 2 2HB LYS 2 -14.017 -9.632 -0.768 9 2HB LYS 2 1HB LYS 2 -14.722 -11.218 -0.449 10 1HG LYS 2 2HG LYS 2 -12.354 -11.448 0.876 11 2HG LYS 2 1HG LYS 2 -12.676 -9.723 1.078 12 1HD LYS 2 2HD LYS 2 -14.950 -11.604 1.525 13 2HD LYS 2 1HD LYS 2 -13.689 -11.551 2.757 14 1HE LYS 2 2HE LYS 2 -15.269 -9.183 1.713 15 2HE LYS 2 1HE LYS 2 -15.437 -9.928 3.301 16 1HZ LYS 2 1HZ LYS 2 -13.366 -8.158 2.292 17 2HZ LYS 2 2HZ LYS 2 -12.832 -9.436 3.275 18 3HZ LYS 2 3HZ LYS 2 -13.978 -8.330 3.864 19 H GLU 3 H GLU 3 -12.509 -9.555 -3.388 20 HA GLU 3 HA GLU 3 -9.772 -8.859 -2.437 21 1HB GLU 3 2HB GLU 3 -10.918 -9.293 -5.086 22 2HB GLU 3 1HB GLU 3 -9.943 -7.831 -4.966 23 1HG GLU 3 2HG GLU 3 -8.244 -9.400 -3.727 24 2HG GLU 3 1HG GLU 3 -9.127 -10.691 -4.540 25 H CYS 4 H CYS 4 -9.173 -6.499 -3.105 26 HA CYS 4 HA CYS 4 -11.455 -4.708 -3.117 27 1HB CYS 4 2HB CYS 4 -11.299 -5.123 -0.749 28 2HB CYS 4 1HB CYS 4 -9.603 -4.734 -0.785 29 H ASP 5 H ASP 5 -9.995 -4.600 -5.188 30 HA ASP 5 HA ASP 5 -7.460 -3.493 -5.347 31 1HB ASP 5 2HB ASP 5 -9.372 -3.967 -7.184 32 2HB ASP 5 1HB ASP 5 -9.485 -2.208 -7.102 33 H CYS 6 H CYS 6 -10.459 -1.816 -4.543 34 HA CYS 6 HA CYS 6 -8.872 0.403 -3.427 35 1HB CYS 6 2HB CYS 6 -9.156 1.625 -5.309 36 2HB CYS 6 1HB CYS 6 -10.364 0.520 -5.925 37 H SER 7 H SER 7 -9.884 1.287 -1.628 38 HA SER 7 HA SER 7 -12.535 0.108 -0.927 39 1HB SER 7 2HB SER 7 -11.729 1.157 1.400 40 2HB SER 7 1HB SER 7 -11.203 -0.438 0.871 41 HG SER 7 HG SER 7 -9.270 0.364 0.329 42 H SER 8 H SER 8 -11.305 2.887 -2.221 43 HA SER 8 HA SER 8 -12.819 4.834 -0.663 44 1HB SER 8 2HB SER 8 -10.833 4.885 -2.717 45 2HB SER 8 1HB SER 8 -12.205 5.855 -3.236 46 HG SER 8 HG SER 8 -10.406 6.729 -1.738 47 HA PRO 9 HA PRO 9 -16.520 3.733 -2.973 48 1HB PRO 9 2HB PRO 9 -18.231 5.106 -1.314 49 2HB PRO 9 1HB PRO 9 -17.615 3.483 -0.957 50 1HG PRO 9 2HG PRO 9 -16.830 6.096 0.249 51 2HG PRO 9 1HG PRO 9 -16.752 4.471 0.945 52 1HD PRO 9 2HD PRO 9 -14.571 5.919 -0.127 53 2HD PRO 9 1HD PRO 9 -14.582 4.188 0.262 54 H GLU 10 H GLU 10 -14.909 6.645 -2.628 55 HA GLU 10 HA GLU 10 -16.958 8.179 -4.163 56 1HB GLU 10 2HB GLU 10 -15.176 8.890 -2.060 57 2HB GLU 10 1HB GLU 10 -14.623 9.729 -3.510 58 1HG GLU 10 2HG GLU 10 -17.026 10.456 -3.878 59 2HG GLU 10 1HG GLU 10 -17.381 9.827 -2.268 60 H ASN 11 H ASN 11 -14.460 6.155 -4.722 61 HA ASN 11 HA ASN 11 -13.236 7.690 -6.908 62 1HB ASN 11 2HB ASN 11 -12.307 5.764 -5.088 63 2HB ASN 11 1HB ASN 11 -12.337 4.950 -6.648 64 1HD2 ASN 11 1HD2 ASN 11 -9.893 5.679 -5.257 65 2HD2 ASN 11 2HD2 ASN 11 -9.086 6.826 -6.211 66 HA PRO 12 HA PRO 12 -15.950 5.570 -9.738 67 1HB PRO 12 2HB PRO 12 -14.815 6.590 -12.028 68 2HB PRO 12 1HB PRO 12 -15.938 7.503 -11.006 69 1HG PRO 12 2HG PRO 12 -12.981 7.787 -11.266 70 2HG PRO 12 1HG PRO 12 -14.187 8.997 -10.798 71 1HD PRO 12 2HD PRO 12 -12.475 7.597 -9.033 72 2HD PRO 12 1HD PRO 12 -13.902 8.547 -8.567 73 H CYS 13 H CYS 13 -12.459 5.486 -9.800 74 HA CYS 13 HA CYS 13 -11.948 3.528 -11.776 75 1HB CYS 13 2HB CYS 13 -10.572 4.076 -9.145 76 2HB CYS 13 1HB CYS 13 -9.939 2.977 -10.366 77 H CYS 14 H CYS 14 -12.762 3.052 -8.326 78 HA CYS 14 HA CYS 14 -13.075 0.167 -9.013 79 1HB CYS 14 2HB CYS 14 -12.430 -0.358 -6.802 80 2HB CYS 14 1HB CYS 14 -11.385 0.984 -7.258 81 H ASP 15 H ASP 15 -14.374 -0.899 -7.186 82 HA ASP 15 HA ASP 15 -17.080 0.343 -7.105 83 1HB ASP 15 2HB ASP 15 -16.233 -2.016 -8.357 84 2HB ASP 15 1HB ASP 15 -16.980 -2.537 -6.863 85 H ALA 16 H ALA 16 -17.375 0.956 -5.002 86 HA ALA 16 HA ALA 16 -15.954 -0.240 -2.801 87 1HB ALA 16 1HB ALA 16 -17.841 1.967 -3.211 88 2HB ALA 16 2HB ALA 16 -16.494 1.835 -2.080 89 3HB ALA 16 3HB ALA 16 -18.061 1.139 -1.670 90 H ALA 17 H ALA 17 -19.090 -0.803 -4.283 91 HA ALA 17 HA ALA 17 -20.350 -2.171 -2.126 92 1HB ALA 17 1HB ALA 17 -21.095 -3.526 -4.481 93 2HB ALA 17 2HB ALA 17 -20.782 -1.863 -4.979 94 3HB ALA 17 3HB ALA 17 -21.958 -2.196 -3.708 95 H THR 18 H THR 18 -17.682 -3.006 -4.121 96 HA THR 18 HA THR 18 -17.630 -5.714 -2.861 97 HB THR 18 HB THR 18 -16.777 -6.675 -4.911 98 HG1 THR 18 HG1 THR 18 -15.968 -5.472 -6.430 99 1HG2 THR 18 1HG2 THR 18 -18.750 -5.573 -6.488 100 2HG2 THR 18 2HG2 THR 18 -19.323 -5.213 -4.860 101 3HG2 THR 18 3HG2 THR 18 -18.993 -6.881 -5.330 102 H CYS 19 H CYS 19 -16.127 -2.749 -3.167 103 HA CYS 19 HA CYS 19 -13.991 -2.043 -2.401 104 1HB CYS 19 2HB CYS 19 -14.473 -4.400 -1.062 105 2HB CYS 19 1HB CYS 19 -12.914 -4.664 -1.835 106 H LYS 20 H LYS 20 -14.501 -4.115 -5.007 107 HA LYS 20 HA LYS 20 -11.607 -3.945 -5.753 108 1HB LYS 20 2HB LYS 20 -13.716 -5.833 -6.839 109 2HB LYS 20 1HB LYS 20 -11.995 -5.855 -7.229 110 1HG LYS 20 2HG LYS 20 -11.609 -7.157 -5.432 111 2HG LYS 20 1HG LYS 20 -12.235 -5.881 -4.389 112 1HD LYS 20 2HD LYS 20 -13.709 -7.604 -3.881 113 2HD LYS 20 1HD LYS 20 -14.580 -6.811 -5.193 114 1HE LYS 20 2HE LYS 20 -12.632 -8.807 -6.122 115 2HE LYS 20 1HE LYS 20 -13.920 -9.490 -5.129 116 1HZ LYS 20 1HZ LYS 20 -15.037 -9.473 -7.059 117 2HZ LYS 20 2HZ LYS 20 -14.050 -8.282 -7.760 118 3HZ LYS 20 3HZ LYS 20 -15.302 -7.837 -6.700 119 H LEU 21 H LEU 21 -11.058 -3.189 -7.846 120 HA LEU 21 HA LEU 21 -13.228 -1.566 -8.986 121 1HB LEU 21 2HB LEU 21 -11.595 -0.205 -10.045 122 2HB LEU 21 1HB LEU 21 -11.078 -0.443 -8.404 123 HG LEU 21 HG LEU 21 -9.106 -1.199 -9.103 124 1HD1 LEU 21 1HD1 LEU 21 -10.386 -3.429 -9.537 125 2HD1 LEU 21 2HD1 LEU 21 -8.790 -3.206 -10.249 126 3HD1 LEU 21 3HD1 LEU 21 -10.235 -2.980 -11.235 127 1HD2 LEU 21 1HD2 LEU 21 -9.217 0.454 -10.770 128 2HD2 LEU 21 2HD2 LEU 21 -10.357 -0.480 -11.738 129 3HD2 LEU 21 3HD2 LEU 21 -8.676 -0.994 -11.620 130 H ARG 22 H ARG 22 -12.735 -1.136 -11.450 131 HA ARG 22 HA ARG 22 -11.820 -2.944 -13.207 132 1HB ARG 22 2HB ARG 22 -12.911 -4.845 -12.363 133 2HB ARG 22 1HB ARG 22 -14.395 -3.962 -12.033 134 1HG ARG 22 2HG ARG 22 -13.408 -4.223 -14.862 135 2HG ARG 22 1HG ARG 22 -14.293 -5.552 -14.113 136 1HD ARG 22 2HD ARG 22 -15.868 -3.430 -13.424 137 2HD ARG 22 1HD ARG 22 -15.263 -2.903 -14.995 138 HE ARG 22 HE ARG 22 -16.446 -4.707 -16.017 139 1HH1 ARG 22 1HH1 ARG 22 -17.785 -4.009 -13.110 140 2HH1 ARG 22 2HH1 ARG 22 -18.428 -5.584 -12.785 141 1HH2 ARG 22 1HH2 ARG 22 -16.715 -7.112 -15.382 142 2HH2 ARG 22 2HH2 ARG 22 -17.822 -7.340 -14.071 143 HA PRO 23 HA PRO 23 -15.396 -0.567 -15.158 144 1HB PRO 23 2HB PRO 23 -17.107 0.809 -13.512 145 2HB PRO 23 1HB PRO 23 -17.384 -0.867 -14.017 146 1HG PRO 23 2HG PRO 23 -16.501 0.168 -11.372 147 2HG PRO 23 1HG PRO 23 -17.315 -1.355 -11.766 148 1HD PRO 23 2HD PRO 23 -14.540 -1.008 -11.224 149 2HD PRO 23 1HD PRO 23 -15.328 -2.473 -11.837 150 H GLY 24 H GLY 24 -12.892 0.429 -14.584 151 1HA GLY 24 2HA GLY 24 -13.220 3.238 -14.957 152 2HA GLY 24 1HA GLY 24 -12.769 2.932 -13.284 153 H ALA 25 H ALA 25 -10.980 0.749 -13.655 154 HA ALA 25 HA ALA 25 -9.046 1.374 -15.704 155 1HB ALA 25 1HB ALA 25 -8.407 3.214 -14.601 156 2HB ALA 25 2HB ALA 25 -7.343 2.044 -13.847 157 3HB ALA 25 3HB ALA 25 -8.801 2.574 -13.016 158 H GLN 26 H GLN 26 -6.729 0.584 -14.727 159 HA GLN 26 HA GLN 26 -7.003 -2.249 -14.234 160 1HB GLN 26 2HB GLN 26 -4.944 -0.438 -15.014 161 2HB GLN 26 1HB GLN 26 -4.378 -1.312 -13.593 162 1HG GLN 26 2HG GLN 26 -4.623 -3.414 -14.645 163 2HG GLN 26 1HG GLN 26 -5.676 -2.757 -15.898 164 1HE2 GLN 26 1HE2 GLN 26 -3.277 -4.244 -16.518 165 2HE2 GLN 26 2HE2 GLN 26 -2.186 -3.184 -17.272 166 H CYS 27 H CYS 27 -6.782 0.613 -12.342 167 HA CYS 27 HA CYS 27 -7.307 -0.779 -9.882 168 1HB CYS 27 2HB CYS 27 -5.175 -1.202 -9.268 169 2HB CYS 27 1HB CYS 27 -4.541 -0.253 -10.595 170 H GLY 28 H GLY 28 -7.891 0.778 -8.194 171 1HA GLY 28 2HA GLY 28 -8.327 3.499 -9.345 172 2HA GLY 28 1HA GLY 28 -9.426 2.730 -8.207 173 H GLU 29 H GLU 29 -6.514 1.897 -6.988 174 HA GLU 29 HA GLU 29 -5.572 4.379 -5.886 175 1HB GLU 29 2HB GLU 29 -6.529 4.380 -3.716 176 2HB GLU 29 1HB GLU 29 -7.882 4.090 -4.809 177 1HG GLU 29 2HG GLU 29 -8.316 2.324 -3.447 178 2HG GLU 29 1HG GLU 29 -7.018 1.535 -4.341 179 H GLY 30 H GLY 30 -3.573 4.043 -5.093 180 1HA GLY 30 2HA GLY 30 -2.712 1.863 -3.500 181 2HA GLY 30 1HA GLY 30 -2.307 1.496 -5.177 182 H LEU 31 H LEU 31 -0.241 1.913 -3.298 183 HA LEU 31 HA LEU 31 0.672 4.608 -3.148 184 1HB LEU 31 2HB LEU 31 1.686 2.079 -2.407 185 2HB LEU 31 1HB LEU 31 2.904 2.846 -3.414 186 HG LEU 31 HG LEU 31 1.626 3.968 -0.915 187 1HD1 LEU 31 1HD1 LEU 31 4.549 3.985 -1.306 188 2HD1 LEU 31 2HD1 LEU 31 3.835 2.375 -1.220 189 3HD1 LEU 31 3HD1 LEU 31 3.604 3.515 0.106 190 1HD2 LEU 31 1HD2 LEU 31 1.776 5.929 -2.115 191 2HD2 LEU 31 2HD2 LEU 31 3.002 5.287 -3.208 192 3HD2 LEU 31 3HD2 LEU 31 3.458 5.826 -1.592 193 H CYS 32 H CYS 32 0.975 2.171 -5.656 194 HA CYS 32 HA CYS 32 2.245 4.240 -7.383 195 1HB CYS 32 2HB CYS 32 2.586 1.258 -7.727 196 2HB CYS 32 1HB CYS 32 3.509 2.552 -8.491 197 H CYS 33 H CYS 33 -0.194 4.678 -7.646 198 HA CYS 33 HA CYS 33 -1.085 3.158 -10.041 199 1HB CYS 33 2HB CYS 33 -2.344 3.030 -7.444 200 2HB CYS 33 1HB CYS 33 -3.448 3.750 -8.617 201 H GLU 34 H GLU 34 -1.386 4.645 -11.608 202 HA GLU 34 HA GLU 34 -1.625 7.471 -11.002 203 1HB GLU 34 2HB GLU 34 -0.789 6.048 -13.187 204 2HB GLU 34 1HB GLU 34 -2.377 6.611 -13.698 205 1HG GLU 34 2HG GLU 34 -1.810 8.896 -13.313 206 2HG GLU 34 1HG GLU 34 -0.335 8.450 -12.452 207 H GLN 35 H GLN 35 -3.489 8.577 -12.539 208 HA GLN 35 HA GLN 35 -5.930 8.153 -11.153 209 1HB GLN 35 2HB GLN 35 -5.292 9.507 -13.779 210 2HB GLN 35 1HB GLN 35 -6.927 9.465 -13.119 211 1HG GLN 35 2HG GLN 35 -6.160 10.560 -11.067 212 2HG GLN 35 1HG GLN 35 -4.500 10.548 -11.663 213 1HE2 GLN 35 1HE2 GLN 35 -4.027 11.908 -13.604 214 2HE2 GLN 35 2HE2 GLN 35 -5.015 13.244 -13.953 215 H CYS 36 H CYS 36 -6.379 5.890 -11.250 216 HA CYS 36 HA CYS 36 -7.559 4.061 -12.129 217 1HB CYS 36 2HB CYS 36 -8.352 6.287 -13.801 218 2HB CYS 36 1HB CYS 36 -8.284 4.824 -14.728 219 H LYS 37 H LYS 37 -4.793 3.946 -12.346 220 HA LYS 37 HA LYS 37 -4.510 2.235 -14.708 221 1HB LYS 37 2HB LYS 37 -2.852 4.777 -14.471 222 2HB LYS 37 1HB LYS 37 -2.512 3.466 -15.597 223 1HG LYS 37 2HG LYS 37 -5.066 5.103 -15.529 224 2HG LYS 37 1HG LYS 37 -3.760 5.294 -16.693 225 1HD LYS 37 2HD LYS 37 -5.275 2.697 -16.308 226 2HD LYS 37 1HD LYS 37 -5.683 3.895 -17.534 227 1HE LYS 37 2HE LYS 37 -2.878 2.818 -17.312 228 2HE LYS 37 1HE LYS 37 -4.114 1.940 -18.213 229 1HZ LYS 37 1HZ LYS 37 -2.668 4.262 -18.962 230 2HZ LYS 37 2HZ LYS 37 -4.338 4.570 -19.001 231 3HZ LYS 37 3HZ LYS 37 -3.686 3.285 -19.903 232 H PHE 38 H PHE 38 -2.553 0.949 -14.613 233 HA PHE 38 HA PHE 38 -1.562 0.610 -11.860 234 1HB PHE 38 2HB PHE 38 -1.432 -0.948 -14.402 235 2HB PHE 38 1HB PHE 38 -0.111 -1.175 -13.261 236 HD1 PHE 38 HD1 PHE 38 -2.577 -3.013 -14.209 237 HD2 PHE 38 HD2 PHE 38 -1.639 -0.762 -10.672 238 HE1 PHE 38 HE1 PHE 38 -4.004 -4.529 -12.867 239 HE2 PHE 38 HE2 PHE 38 -3.069 -2.277 -9.332 240 HZ PHE 38 HZ PHE 38 -4.251 -4.161 -10.428 241 H SER 39 H SER 39 0.143 1.852 -11.202 242 HA SER 39 HA SER 39 1.766 3.488 -12.782 243 1HB SER 39 2HB SER 39 3.403 3.416 -10.942 244 2HB SER 39 1HB SER 39 1.766 3.507 -10.298 245 HG SER 39 HG SER 39 2.017 1.044 -10.428 246 H ARG 40 H ARG 40 4.113 3.144 -13.358 247 HA ARG 40 HA ARG 40 4.400 0.566 -14.696 248 1HB ARG 40 2HB ARG 40 5.609 3.219 -14.906 249 2HB ARG 40 1HB ARG 40 6.756 1.901 -15.130 250 1HG ARG 40 2HG ARG 40 4.632 1.014 -16.607 251 2HG ARG 40 1HG ARG 40 4.507 2.756 -16.845 252 1HD ARG 40 2HD ARG 40 7.248 2.181 -17.070 253 2HD ARG 40 1HD ARG 40 6.430 0.898 -17.963 254 HE ARG 40 HE ARG 40 5.276 2.729 -19.255 255 1HH1 ARG 40 1HH1 ARG 40 6.308 4.892 -17.328 256 2HH1 ARG 40 2HH1 ARG 40 7.550 5.617 -18.295 257 1HH2 ARG 40 1HH2 ARG 40 7.666 3.004 -20.573 258 2HH2 ARG 40 2HH2 ARG 40 8.319 4.547 -20.133 259 H ALA 41 H ALA 41 5.680 -1.086 -13.953 260 HA ALA 41 HA ALA 41 6.538 -1.375 -11.345 261 1HB ALA 41 1HB ALA 41 6.730 -2.924 -13.586 262 2HB ALA 41 2HB ALA 41 7.503 -3.321 -12.052 263 3HB ALA 41 3HB ALA 41 8.425 -2.515 -13.321 264 H GLY 42 H GLY 42 8.881 -1.451 -10.542 265 1HA GLY 42 2HA GLY 42 10.968 -0.416 -10.220 266 2HA GLY 42 1HA GLY 42 10.776 0.344 -11.796 267 H LYS 43 H LYS 43 8.109 0.705 -9.657 268 HA LYS 43 HA LYS 43 8.690 3.579 -9.438 269 1HB LYS 43 2HB LYS 43 6.438 3.214 -10.015 270 2HB LYS 43 1HB LYS 43 6.277 1.866 -8.894 271 1HG LYS 43 2HG LYS 43 5.111 3.796 -7.967 272 2HG LYS 43 1HG LYS 43 6.541 3.476 -6.995 273 1HD LYS 43 2HD LYS 43 7.020 5.671 -7.317 274 2HD LYS 43 1HD LYS 43 7.540 5.162 -8.923 275 1HE LYS 43 2HE LYS 43 4.909 5.399 -9.405 276 2HE LYS 43 1HE LYS 43 5.049 6.572 -8.095 277 1HZ LYS 43 1HZ LYS 43 7.096 6.682 -10.160 278 2HZ LYS 43 2HZ LYS 43 6.321 7.943 -9.326 279 3HZ LYS 43 3HZ LYS 43 5.540 7.173 -10.623 280 H ILE 44 H ILE 44 9.581 4.456 -7.615 281 HA ILE 44 HA ILE 44 10.197 2.731 -5.348 282 HB ILE 44 HB ILE 44 11.777 4.466 -6.024 283 1HG1 ILE 44 2HG1 ILE 44 11.995 5.650 -3.803 284 2HG1 ILE 44 1HG1 ILE 44 10.441 4.953 -3.345 285 1HG2 ILE 44 1HG2 ILE 44 9.676 5.979 -6.658 286 2HG2 ILE 44 2HG2 ILE 44 11.235 6.695 -6.252 287 3HG2 ILE 44 3HG2 ILE 44 9.956 6.614 -5.040 288 1HD1 ILE 44 1HD1 ILE 44 11.447 2.677 -3.909 289 2HD1 ILE 44 2HD1 ILE 44 12.099 3.471 -2.477 290 3HD1 ILE 44 3HD1 ILE 44 13.009 3.493 -3.986 291 H CYS 45 H CYS 45 8.240 2.132 -4.415 292 HA CYS 45 HA CYS 45 6.211 4.089 -3.628 293 1HB CYS 45 2HB CYS 45 5.219 2.095 -2.462 294 2HB CYS 45 1HB CYS 45 5.513 1.837 -4.178 295 H ARG 46 H ARG 46 8.999 2.554 -2.185 296 HA ARG 46 HA ARG 46 8.587 4.219 0.241 297 1HB ARG 46 2HB ARG 46 8.129 1.398 0.137 298 2HB ARG 46 1HB ARG 46 9.575 1.684 1.105 299 1HG ARG 46 2HG ARG 46 7.730 3.677 1.871 300 2HG ARG 46 1HG ARG 46 6.810 2.172 1.790 301 1HD ARG 46 2HD ARG 46 7.762 1.442 3.691 302 2HD ARG 46 1HD ARG 46 9.371 1.662 3.004 303 HE ARG 46 HE ARG 46 9.471 3.406 4.596 304 1HH1 ARG 46 1HH2 ARG 46 6.195 2.949 4.104 305 2HH1 ARG 46 2HH2 ARG 46 5.756 4.619 4.237 306 1HH2 ARG 46 1HH1 ARG 46 9.031 5.753 4.267 307 2HH2 ARG 46 2HH1 ARG 46 7.360 6.206 4.329 308 H ILE 47 H ILE 47 10.471 5.175 0.811 309 HA ILE 47 HA ILE 47 12.978 4.229 -0.463 310 HB ILE 47 HB ILE 47 12.657 6.576 -0.722 311 1HG1 ILE 47 2HG1 ILE 47 14.499 7.555 0.592 312 2HG1 ILE 47 1HG1 ILE 47 14.460 6.174 1.689 313 1HG2 ILE 47 1HG2 ILE 47 12.364 7.945 1.500 314 2HG2 ILE 47 2HG2 ILE 47 11.767 6.416 2.144 315 3HG2 ILE 47 3HG2 ILE 47 10.960 7.169 0.769 316 1HD1 ILE 47 1HD1 ILE 47 15.016 6.013 -1.289 317 2HD1 ILE 47 2HD1 ILE 47 15.040 4.664 -0.153 318 3HD1 ILE 47 3HD1 ILE 47 16.244 5.946 -0.025 319 H ALA 48 H ALA 48 13.831 2.575 0.756 320 HA ALA 48 HA ALA 48 13.521 2.209 3.541 321 1HB ALA 48 1HB ALA 48 15.720 0.848 3.259 322 2HB ALA 48 2HB ALA 48 15.563 1.248 1.547 323 3HB ALA 48 3HB ALA 48 14.298 0.330 2.358 324 H ARG 49 H ARG 49 15.887 2.075 4.847 325 HA ARG 49 HA ARG 49 16.445 4.747 5.603 326 1HB ARG 49 2HB ARG 49 18.253 2.402 6.003 327 2HB ARG 49 1HB ARG 49 18.199 3.861 6.976 328 1HG ARG 49 2HG ARG 49 15.994 1.799 6.697 329 2HG ARG 49 1HG ARG 49 16.988 2.080 8.127 330 1HD ARG 49 2HD ARG 49 15.997 4.602 7.562 331 2HD ARG 49 1HD ARG 49 14.636 3.547 7.177 332 HE ARG 49 HE ARG 49 16.026 3.354 9.817 333 1HH1 ARG 49 1HH1 ARG 49 13.559 5.172 8.756 334 2HH1 ARG 49 2HH1 ARG 49 12.296 4.392 9.649 335 1HH2 ARG 49 1HH2 ARG 49 14.258 1.688 10.578 336 2HH2 ARG 49 2HH2 ARG 49 12.692 2.419 10.680 337 H GLY 50 H GLY 50 19.215 2.843 4.575 338 1HA GLY 50 2HA GLY 50 19.877 5.005 2.666 339 2HA GLY 50 1HA GLY 50 21.086 4.345 3.751 340 H ASP 51 H ASP 51 21.127 1.730 3.515 341 HA ASP 51 HA ASP 51 21.174 1.165 0.600 342 1HB ASP 51 2HB ASP 51 23.299 1.108 2.509 343 2HB ASP 51 1HB ASP 51 23.014 -0.528 1.913 344 H TRP 52 H TRP 52 20.054 -0.613 -0.030 345 HA TRP 52 HA TRP 52 19.822 -3.103 1.227 346 1HB TRP 52 2HB TRP 52 17.259 -2.536 2.014 347 2HB TRP 52 1HB TRP 52 18.632 -2.571 3.111 348 HD1 TRP 52 HD1 TRP 52 18.153 -0.644 4.689 349 HE1 TRP 52 HE1 TRP 52 17.788 1.870 4.407 350 HE3 TRP 52 HE3 TRP 52 17.751 -0.313 -0.399 351 HZ2 TRP 52 HZ2 TRP 52 17.377 3.785 2.319 352 HZ3 TRP 52 HZ3 TRP 52 17.385 1.867 -1.490 353 HH2 TRP 52 HH2 TRP 52 17.202 3.920 -0.111 354 H ASN 53 H ASN 53 17.116 -3.750 0.742 355 HA ASN 53 HA ASN 53 17.016 -3.397 -2.203 356 1HB ASN 53 2HB ASN 53 16.383 -5.536 -0.399 357 2HB ASN 53 1HB ASN 53 14.906 -5.066 -1.242 358 1HD2 ASN 53 1HD2 ASN 53 17.771 -6.898 -1.563 359 2HD2 ASN 53 2HD2 ASN 53 17.715 -7.129 -3.243 360 H ASP 54 H ASP 54 16.099 -1.345 -2.455 361 HA ASP 54 HA ASP 54 14.045 -0.224 -0.848 362 1HB ASP 54 2HB ASP 54 13.566 1.128 -3.021 363 2HB ASP 54 1HB ASP 54 15.151 1.293 -2.267 364 H ASP 55 H ASP 55 11.816 0.375 -1.941 365 HA ASP 55 HA ASP 55 10.595 -2.197 -2.814 366 1HB ASP 55 2HB ASP 55 9.292 0.231 -1.611 367 2HB ASP 55 1HB ASP 55 8.491 -1.294 -1.963 368 H ARG 56 H ARG 56 10.560 -2.197 -5.032 369 HA ARG 56 HA ARG 56 9.683 0.301 -6.406 370 1HB ARG 56 2HB ARG 56 11.094 -2.094 -7.550 371 2HB ARG 56 1HB ARG 56 10.737 -0.599 -8.402 372 1HG ARG 56 2HG ARG 56 12.210 -0.309 -5.844 373 2HG ARG 56 1HG ARG 56 13.104 -1.065 -7.165 374 1HD ARG 56 2HD ARG 56 12.659 0.827 -8.622 375 2HD ARG 56 1HD ARG 56 11.609 1.560 -7.410 376 HE ARG 56 HE ARG 56 13.776 1.616 -5.969 377 1HH1 ARG 56 1HH2 ARG 56 13.346 3.687 -8.255 378 2HH1 ARG 56 2HH2 ARG 56 14.946 3.737 -8.919 379 1HH2 ARG 56 1HH1 ARG 56 15.986 0.842 -7.318 380 2HH2 ARG 56 2HH1 ARG 56 16.440 2.126 -8.388 381 H CYS 57 H CYS 57 7.405 0.050 -6.359 382 HA CYS 57 HA CYS 57 5.801 -2.158 -6.511 383 1HB CYS 57 2HB CYS 57 5.491 0.423 -8.065 384 2HB CYS 57 1HB CYS 57 4.236 -0.808 -7.985 385 H THR 58 H THR 58 5.056 -3.576 -8.106 386 HA THR 58 HA THR 58 6.886 -4.030 -10.342 387 HB THR 58 HB THR 58 5.836 -6.102 -10.564 388 HG1 THR 58 HG1 THR 58 3.627 -6.353 -9.785 389 1HG2 THR 58 1HG2 THR 58 4.763 -5.909 -7.843 390 2HG2 THR 58 2HG2 THR 58 6.390 -5.242 -7.991 391 3HG2 THR 58 3HG2 THR 58 6.074 -6.911 -8.465 392 H GLY 59 H GLY 59 5.523 -4.707 -12.499 393 1HA GLY 59 2HA GLY 59 4.198 -2.190 -13.298 394 2HA GLY 59 1HA GLY 59 4.712 -3.478 -14.387 395 H GLN 60 H GLN 60 2.960 -4.436 -11.569 396 HA GLN 60 HA GLN 60 0.368 -4.412 -12.992 397 1HB GLN 60 2HB GLN 60 1.755 -6.953 -12.088 398 2HB GLN 60 1HB GLN 60 0.066 -6.865 -12.587 399 1HG GLN 60 2HG GLN 60 0.659 -6.217 -14.813 400 2HG GLN 60 1HG GLN 60 2.338 -5.928 -14.351 401 1HE2 GLN 60 1HE2 GLN 60 1.297 -7.856 -16.408 402 2HE2 GLN 60 2HE2 GLN 60 1.859 -9.382 -15.923 403 H SER 61 H SER 61 1.885 -3.589 -10.320 404 HA SER 61 HA SER 61 -0.338 -4.507 -8.538 405 1HB SER 61 2HB SER 61 1.331 -5.384 -7.283 406 2HB SER 61 1HB SER 61 2.573 -4.493 -8.158 407 HG SER 61 HG SER 61 1.995 -3.993 -5.794 408 H ALA 62 H ALA 62 -0.816 -2.908 -6.764 409 HA ALA 62 HA ALA 62 -0.329 -0.096 -7.684 410 1HB ALA 62 1HB ALA 62 -2.881 -1.257 -6.515 411 2HB ALA 62 2HB ALA 62 -2.637 -0.812 -8.205 412 3HB ALA 62 3HB ALA 62 -2.629 0.433 -6.954 413 H ASP 63 H ASP 63 -0.274 -2.364 -5.083 414 HA ASP 63 HA ASP 63 -0.057 -0.142 -3.113 415 1HB ASP 63 2HB ASP 63 -0.184 -3.076 -2.501 416 2HB ASP 63 1HB ASP 63 -0.455 -1.737 -1.395 417 H CYS 64 H CYS 64 1.606 -1.020 -1.238 418 HA CYS 64 HA CYS 64 4.052 -2.036 -2.593 419 1HB CYS 64 2HB CYS 64 4.260 0.389 -2.696 420 2HB CYS 64 1HB CYS 64 3.884 0.520 -0.976 421 HA PRO 65 HA PRO 65 4.220 -4.232 1.221 422 1HB PRO 65 2HB PRO 65 6.448 -5.655 0.531 423 2HB PRO 65 1HB PRO 65 4.832 -6.063 -0.045 424 1HG PRO 65 2HG PRO 65 7.112 -4.841 -1.507 425 2HG PRO 65 1HG PRO 65 5.727 -5.742 -2.143 426 1HD PRO 65 2HD PRO 65 6.061 -2.922 -2.167 427 2HD PRO 65 1HD PRO 65 4.584 -3.821 -2.579 428 H ARG 66 H ARG 66 4.960 -2.922 2.917 429 HA ARG 66 HA ARG 66 7.291 -1.301 2.848 430 1HB ARG 66 2HB ARG 66 5.595 -2.416 5.068 431 2HB ARG 66 1HB ARG 66 7.066 -1.516 5.440 432 1HG ARG 66 2HG ARG 66 5.838 0.062 3.520 433 2HG ARG 66 1HG ARG 66 4.479 -0.536 4.473 434 1HD ARG 66 2HD ARG 66 6.339 0.099 6.414 435 2HD ARG 66 1HD ARG 66 6.583 1.370 5.217 436 HE ARG 66 HE ARG 66 3.862 1.357 5.472 437 1HH1 ARG 66 1HH2 ARG 66 4.366 0.099 8.194 438 2HH1 ARG 66 2HH2 ARG 66 4.418 1.500 9.211 439 1HH2 ARG 66 1HH1 ARG 66 4.831 3.721 6.580 440 2HH2 ARG 66 2HH1 ARG 66 4.682 3.549 8.298 441 H TYR 67 H TYR 67 9.423 -1.698 3.479 442 HA TYR 67 HA TYR 67 10.086 -4.522 4.105 443 1HB TYR 67 2HB TYR 67 10.956 -2.972 1.964 444 2HB TYR 67 1HB TYR 67 12.297 -2.934 3.106 445 HD1 TYR 67 HD1 TYR 67 13.243 -5.107 3.988 446 HD2 TYR 67 HD2 TYR 67 10.441 -4.949 0.736 447 HE1 TYR 67 HE1 TYR 67 13.876 -7.413 3.329 448 HE2 TYR 67 HE2 TYR 67 11.075 -7.255 0.078 449 HH TYR 67 HH TYR 67 12.063 -9.272 1.183 450 H HIS 68 HN HIS 68 10.457 -1.191 5.021 451 HA HIS 68 HA HIS 68 11.700 -2.046 7.555 452 1HB HIS 68 2HB HIS 68 13.272 -0.982 5.420 453 2HB HIS 68 1HB HIS 68 13.176 0.248 6.681 454 HD1 HIS 68 HD1 HIS 68 14.542 -0.130 8.768 455 HD2 HIS 68 HD2 HIS 68 14.288 -3.559 6.412 456 HE1 HIS 68 HE1 HIS 68 16.113 -1.827 9.801 Start of MODEL 20 1 1H GLY 1 1HT GLY 1 -11.191 -9.730 4.258 2 2H GLY 1 2HT GLY 1 -12.085 -8.355 3.814 3 3H GLY 1 3HT GLY 1 -10.603 -8.689 3.054 4 1HA GLY 1 1HA GLY 1 -12.422 -10.878 2.830 5 2HA GLY 1 2HA GLY 1 -13.076 -9.393 2.138 6 H LYS 2 H LYS 2 -12.630 -11.166 0.258 7 HA LYS 2 HA LYS 2 -10.016 -10.363 -0.952 8 1HB LYS 2 2HB LYS 2 -11.251 -12.993 -1.672 9 2HB LYS 2 1HB LYS 2 -9.550 -12.527 -1.638 10 1HG LYS 2 2HG LYS 2 -9.896 -12.327 0.936 11 2HG LYS 2 1HG LYS 2 -11.333 -13.312 0.659 12 1HD LYS 2 2HD LYS 2 -8.513 -14.051 -0.180 13 2HD LYS 2 1HD LYS 2 -9.371 -14.718 1.208 14 1HE LYS 2 2HE LYS 2 -11.165 -15.510 -0.370 15 2HE LYS 2 1HE LYS 2 -10.140 -14.995 -1.710 16 1HZ LYS 2 1HZ LYS 2 -9.757 -17.298 -1.315 17 2HZ LYS 2 2HZ LYS 2 -9.506 -17.040 0.345 18 3HZ LYS 2 3HZ LYS 2 -8.383 -16.455 -0.788 19 H GLU 3 H GLU 3 -12.037 -8.754 -1.545 20 HA GLU 3 HA GLU 3 -12.427 -9.077 -4.369 21 1HB GLU 3 2HB GLU 3 -14.988 -9.242 -4.210 22 2HB GLU 3 1HB GLU 3 -14.080 -10.725 -3.915 23 1HG GLU 3 2HG GLU 3 -14.200 -10.272 -1.467 24 2HG GLU 3 1HG GLU 3 -15.202 -8.860 -1.803 25 H CYS 4 H CYS 4 -11.444 -6.988 -2.914 26 HA CYS 4 HA CYS 4 -13.473 -4.904 -3.434 27 1HB CYS 4 2HB CYS 4 -13.495 -5.520 -0.981 28 2HB CYS 4 1HB CYS 4 -11.871 -4.879 -0.920 29 H ASP 5 H ASP 5 -11.893 -4.916 -5.303 30 HA ASP 5 HA ASP 5 -9.244 -4.319 -5.367 31 1HB ASP 5 2HB ASP 5 -10.890 -4.279 -7.317 32 2HB ASP 5 1HB ASP 5 -11.207 -2.597 -6.889 33 H CYS 6 H CYS 6 -11.790 -2.125 -4.286 34 HA CYS 6 HA CYS 6 -9.723 -0.489 -2.940 35 1HB CYS 6 2HB CYS 6 -11.826 0.871 -4.623 36 2HB CYS 6 1HB CYS 6 -10.393 1.583 -3.890 37 H SER 7 H SER 7 -10.494 0.374 -1.016 38 HA SER 7 HA SER 7 -13.267 -0.402 -0.282 39 1HB SER 7 2HB SER 7 -12.559 -0.391 1.951 40 2HB SER 7 1HB SER 7 -11.110 -0.931 1.106 41 HG SER 7 HG SER 7 -10.538 1.367 1.050 42 H SER 8 H SER 8 -11.461 2.326 -1.227 43 HA SER 8 HA SER 8 -12.790 4.359 0.301 44 1HB SER 8 2HB SER 8 -10.846 4.238 -1.782 45 2HB SER 8 1HB SER 8 -12.098 5.378 -2.261 46 HG SER 8 HG SER 8 -11.837 6.316 -0.138 47 HA PRO 9 HA PRO 9 -16.673 3.949 -1.889 48 1HB PRO 9 2HB PRO 9 -18.029 5.735 -0.299 49 2HB PRO 9 1HB PRO 9 -17.728 4.049 0.157 50 1HG PRO 9 2HG PRO 9 -16.415 6.530 1.163 51 2HG PRO 9 1HG PRO 9 -16.624 4.967 1.967 52 1HD PRO 9 2HD PRO 9 -14.245 5.897 0.750 53 2HD PRO 9 1HD PRO 9 -14.574 4.227 1.258 54 H GLU 10 H GLU 10 -14.507 6.483 -1.848 55 HA GLU 10 HA GLU 10 -16.265 8.156 -3.602 56 1HB GLU 10 2HB GLU 10 -15.472 9.194 -1.402 57 2HB GLU 10 1HB GLU 10 -13.844 9.146 -2.080 58 1HG GLU 10 2HG GLU 10 -15.013 10.317 -4.146 59 2HG GLU 10 1HG GLU 10 -16.199 10.793 -2.929 60 H ASN 11 H ASN 11 -14.387 5.833 -4.183 61 HA ASN 11 HA ASN 11 -12.398 7.219 -5.872 62 1HB ASN 11 2HB ASN 11 -12.055 5.097 -4.214 63 2HB ASN 11 1HB ASN 11 -12.392 4.263 -5.731 64 1HD2 ASN 11 1HD2 ASN 11 -9.804 5.106 -3.998 65 2HD2 ASN 11 2HD2 ASN 11 -8.716 5.550 -5.223 66 HA PRO 12 HA PRO 12 -15.092 6.209 -9.282 67 1HB PRO 12 2HB PRO 12 -13.516 7.372 -11.213 68 2HB PRO 12 1HB PRO 12 -14.589 8.292 -10.143 69 1HG PRO 12 2HG PRO 12 -11.619 8.060 -10.074 70 2HG PRO 12 1HG PRO 12 -12.657 9.364 -9.475 71 1HD PRO 12 2HD PRO 12 -11.429 7.350 -7.897 72 2HD PRO 12 1HD PRO 12 -12.696 8.475 -7.364 73 H CYS 13 H CYS 13 -11.839 5.208 -8.776 74 HA CYS 13 HA CYS 13 -11.702 3.514 -11.183 75 1HB CYS 13 2HB CYS 13 -9.874 4.075 -8.861 76 2HB CYS 13 1HB CYS 13 -9.582 2.686 -9.900 77 H CYS 14 H CYS 14 -13.382 3.258 -8.355 78 HA CYS 14 HA CYS 14 -13.506 0.332 -8.673 79 1HB CYS 14 2HB CYS 14 -12.411 1.707 -6.241 80 2HB CYS 14 1HB CYS 14 -13.289 0.187 -6.064 81 H ASP 15 H ASP 15 -15.533 -0.395 -8.327 82 HA ASP 15 HA ASP 15 -17.668 1.447 -7.766 83 1HB ASP 15 2HB ASP 15 -17.608 -0.895 -9.025 84 2HB ASP 15 1HB ASP 15 -18.043 -1.478 -7.424 85 H ALA 16 H ALA 16 -18.395 2.093 -5.795 86 HA ALA 16 HA ALA 16 -17.253 0.850 -3.397 87 1HB ALA 16 1HB ALA 16 -18.259 2.757 -2.207 88 2HB ALA 16 2HB ALA 16 -19.073 3.255 -3.690 89 3HB ALA 16 3HB ALA 16 -17.314 3.313 -3.588 90 H ALA 17 H ALA 17 -19.564 -0.253 -5.200 91 HA ALA 17 HA ALA 17 -21.453 -0.756 -2.930 92 1HB ALA 17 1HB ALA 17 -22.268 0.501 -5.081 93 2HB ALA 17 2HB ALA 17 -23.260 -0.803 -4.427 94 3HB ALA 17 3HB ALA 17 -22.221 -1.099 -5.821 95 H THR 18 H THR 18 -19.308 -2.066 -5.258 96 HA THR 18 HA THR 18 -20.147 -4.822 -4.495 97 HB THR 18 HB THR 18 -19.354 -3.646 -7.115 98 HG1 THR 18 HG1 THR 18 -21.318 -4.221 -7.448 99 1HG2 THR 18 1HG2 THR 18 -18.771 -6.451 -6.188 100 2HG2 THR 18 2HG2 THR 18 -17.683 -5.319 -6.991 101 3HG2 THR 18 3HG2 THR 18 -19.002 -6.064 -7.893 102 H CYS 19 H CYS 19 -17.778 -2.470 -4.254 103 HA CYS 19 HA CYS 19 -15.573 -2.518 -3.480 104 1HB CYS 19 2HB CYS 19 -16.826 -4.879 -2.394 105 2HB CYS 19 1HB CYS 19 -15.126 -5.166 -2.705 106 H LYS 20 H LYS 20 -14.964 -2.277 -5.769 107 HA LYS 20 HA LYS 20 -12.893 -4.048 -6.537 108 1HB LYS 20 2HB LYS 20 -15.588 -4.790 -7.536 109 2HB LYS 20 1HB LYS 20 -14.284 -4.783 -8.724 110 1HG LYS 20 2HG LYS 20 -13.372 -6.023 -6.282 111 2HG LYS 20 1HG LYS 20 -14.847 -6.809 -6.845 112 1HD LYS 20 2HD LYS 20 -13.186 -6.298 -9.119 113 2HD LYS 20 1HD LYS 20 -12.206 -7.090 -7.884 114 1HE LYS 20 2HE LYS 20 -14.553 -8.519 -7.754 115 2HE LYS 20 1HE LYS 20 -14.437 -8.160 -9.476 116 1HZ LYS 20 1HZ LYS 20 -12.695 -9.509 -9.713 117 2HZ LYS 20 2HZ LYS 20 -13.146 -10.167 -8.212 118 3HZ LYS 20 3HZ LYS 20 -11.944 -8.968 -8.291 119 H LEU 21 H LEU 21 -12.845 -3.780 -9.291 120 HA LEU 21 HA LEU 21 -12.449 -0.886 -9.549 121 1HB LEU 21 2HB LEU 21 -11.833 -3.294 -11.226 122 2HB LEU 21 1HB LEU 21 -11.864 -1.704 -11.993 123 HG LEU 21 HG LEU 21 -10.338 -2.120 -9.441 124 1HD1 LEU 21 1HD1 LEU 21 -9.724 -3.813 -11.312 125 2HD1 LEU 21 2HD1 LEU 21 -8.422 -2.872 -10.584 126 3HD1 LEU 21 3HD1 LEU 21 -9.072 -2.409 -12.157 127 1HD2 LEU 21 1HD2 LEU 21 -9.077 -0.412 -11.325 128 2HD2 LEU 21 2HD2 LEU 21 -9.863 0.041 -9.813 129 3HD2 LEU 21 3HD2 LEU 21 -10.791 0.001 -11.312 130 H ARG 22 H ARG 22 -13.899 0.492 -10.498 131 HA ARG 22 HA ARG 22 -16.467 -0.576 -11.387 132 1HB ARG 22 2HB ARG 22 -15.518 1.917 -10.442 133 2HB ARG 22 1HB ARG 22 -16.114 2.200 -12.078 134 1HG ARG 22 2HG ARG 22 -17.633 0.892 -9.804 135 2HG ARG 22 1HG ARG 22 -17.961 2.471 -10.516 136 1HD ARG 22 2HD ARG 22 -17.952 0.744 -12.704 137 2HD ARG 22 1HD ARG 22 -18.769 -0.176 -11.441 138 HE ARG 22 HE ARG 22 -19.829 2.164 -12.785 139 1HH1 ARG 22 1HH1 ARG 22 -21.517 -0.036 -11.681 140 2HH1 ARG 22 2HH1 ARG 22 -22.253 0.718 -10.306 141 1HH2 ARG 22 1HH2 ARG 22 -19.996 3.347 -10.205 142 2HH2 ARG 22 2HH2 ARG 22 -21.392 2.633 -9.471 143 HA PRO 23 HA PRO 23 -14.914 0.961 -15.624 144 1HB PRO 23 2HB PRO 23 -12.380 2.006 -15.768 145 2HB PRO 23 1HB PRO 23 -13.816 2.984 -15.415 146 1HG PRO 23 2HG PRO 23 -11.659 2.083 -13.567 147 2HG PRO 23 1HG PRO 23 -12.725 3.492 -13.443 148 1HD PRO 23 2HD PRO 23 -13.004 1.052 -12.022 149 2HD PRO 23 1HD PRO 23 -14.209 2.353 -12.130 150 H GLY 24 H GLY 24 -12.655 0.459 -17.090 151 1HA GLY 24 2HA GLY 24 -12.095 -2.379 -16.434 152 2HA GLY 24 1HA GLY 24 -11.768 -1.596 -17.981 153 H ALA 25 H ALA 25 -10.885 0.081 -15.097 154 HA ALA 25 HA ALA 25 -8.153 0.341 -15.845 155 1HB ALA 25 1HB ALA 25 -9.303 1.914 -14.339 156 2HB ALA 25 2HB ALA 25 -7.845 1.277 -13.583 157 3HB ALA 25 3HB ALA 25 -9.425 0.657 -13.112 158 H GLN 26 H GLN 26 -6.380 -0.321 -14.118 159 HA GLN 26 HA GLN 26 -6.610 -3.266 -13.806 160 1HB GLN 26 2HB GLN 26 -4.409 -1.358 -14.242 161 2HB GLN 26 1HB GLN 26 -4.033 -2.709 -13.177 162 1HG GLN 26 2HG GLN 26 -3.630 -3.843 -15.104 163 2HG GLN 26 1HG GLN 26 -5.387 -3.953 -15.216 164 1HE2 GLN 26 1HE2 GLN 26 -3.689 -3.860 -17.555 165 2HE2 GLN 26 2HE2 GLN 26 -4.015 -2.409 -18.375 166 H CYS 27 H CYS 27 -6.700 -0.381 -12.000 167 HA CYS 27 HA CYS 27 -7.177 -1.721 -9.534 168 1HB CYS 27 2HB CYS 27 -4.977 -2.215 -9.117 169 2HB CYS 27 1HB CYS 27 -4.389 -0.911 -10.127 170 H GLY 28 H GLY 28 -7.498 -0.086 -7.749 171 1HA GLY 28 2HA GLY 28 -8.013 2.618 -8.916 172 2HA GLY 28 1HA GLY 28 -9.110 1.859 -7.768 173 H GLU 29 H GLU 29 -6.533 0.829 -6.355 174 HA GLU 29 HA GLU 29 -5.341 3.297 -5.348 175 1HB GLU 29 2HB GLU 29 -6.236 3.222 -3.130 176 2HB GLU 29 1HB GLU 29 -7.611 3.138 -4.227 177 1HG GLU 29 2HG GLU 29 -8.226 1.287 -3.086 178 2HG GLU 29 1HG GLU 29 -6.895 0.477 -3.911 179 H GLY 30 H GLY 30 -3.327 2.852 -4.579 180 1HA GLY 30 2HA GLY 30 -2.575 0.568 -3.070 181 2HA GLY 30 1HA GLY 30 -2.197 0.248 -4.762 182 H LEU 31 H LEU 31 -0.068 0.391 -3.020 183 HA LEU 31 HA LEU 31 1.031 2.999 -2.645 184 1HB LEU 31 2HB LEU 31 1.902 0.285 -2.307 185 2HB LEU 31 1HB LEU 31 3.183 1.233 -3.047 186 HG LEU 31 HG LEU 31 3.186 1.249 -0.518 187 1HD1 LEU 31 1HD1 LEU 31 2.665 4.065 -1.204 188 2HD1 LEU 31 2HD1 LEU 31 3.758 3.247 -2.322 189 3HD1 LEU 31 3HD1 LEU 31 4.140 3.310 -0.600 190 1HD2 LEU 31 1HD2 LEU 31 1.407 2.053 0.685 191 2HD2 LEU 31 2HD2 LEU 31 0.500 1.547 -0.741 192 3HD2 LEU 31 3HD2 LEU 31 0.977 3.235 -0.551 193 H CYS 32 H CYS 32 0.633 1.075 -5.449 194 HA CYS 32 HA CYS 32 2.120 3.094 -7.025 195 1HB CYS 32 2HB CYS 32 2.531 0.208 -7.726 196 2HB CYS 32 1HB CYS 32 3.565 1.594 -8.064 197 H CYS 33 H CYS 33 -0.454 3.318 -7.125 198 HA CYS 33 HA CYS 33 -1.338 1.780 -9.533 199 1HB CYS 33 2HB CYS 33 -2.774 2.481 -7.008 200 2HB CYS 33 1HB CYS 33 -3.699 2.463 -8.509 201 H GLU 34 H GLU 34 -1.164 3.190 -11.207 202 HA GLU 34 HA GLU 34 -1.330 6.046 -10.960 203 1HB GLU 34 2HB GLU 34 -0.489 4.321 -12.916 204 2HB GLU 34 1HB GLU 34 -2.005 4.922 -13.580 205 1HG GLU 34 2HG GLU 34 -0.915 7.235 -12.634 206 2HG GLU 34 1HG GLU 34 0.535 6.351 -13.113 207 H GLN 35 H GLN 35 -3.035 7.046 -12.765 208 HA GLN 35 HA GLN 35 -5.568 6.953 -11.462 209 1HB GLN 35 2HB GLN 35 -4.539 8.765 -13.036 210 2HB GLN 35 1HB GLN 35 -5.258 7.805 -14.331 211 1HG GLN 35 2HG GLN 35 -7.380 7.908 -12.702 212 2HG GLN 35 1HG GLN 35 -6.589 9.398 -12.187 213 1HE2 GLN 35 1HE2 GLN 35 -9.058 8.721 -14.029 214 2HE2 GLN 35 2HE2 GLN 35 -8.798 9.719 -15.377 215 H CYS 36 H CYS 36 -6.156 4.698 -11.394 216 HA CYS 36 HA CYS 36 -7.365 2.845 -12.186 217 1HB CYS 36 2HB CYS 36 -8.026 5.028 -14.072 218 2HB CYS 36 1HB CYS 36 -8.281 3.400 -14.688 219 H LYS 37 H LYS 37 -4.491 3.069 -12.704 220 HA LYS 37 HA LYS 37 -4.305 0.987 -14.749 221 1HB LYS 37 2HB LYS 37 -4.262 3.339 -15.908 222 2HB LYS 37 1HB LYS 37 -2.620 3.422 -15.269 223 1HG LYS 37 2HG LYS 37 -1.978 1.420 -16.437 224 2HG LYS 37 1HG LYS 37 -3.649 1.083 -16.892 225 1HD LYS 37 2HD LYS 37 -2.903 3.743 -17.749 226 2HD LYS 37 1HD LYS 37 -1.754 2.557 -18.371 227 1HE LYS 37 2HE LYS 37 -4.769 2.352 -18.625 228 2HE LYS 37 1HE LYS 37 -3.677 2.871 -19.909 229 1HZ LYS 37 1HZ LYS 37 -3.905 0.642 -20.341 230 2HZ LYS 37 2HZ LYS 37 -3.989 0.208 -18.700 231 3HZ LYS 37 3HZ LYS 37 -2.500 0.645 -19.391 232 H PHE 38 H PHE 38 -2.690 -0.380 -14.134 233 HA PHE 38 HA PHE 38 -1.272 -0.245 -11.770 234 1HB PHE 38 2HB PHE 38 -0.621 -1.527 -14.410 235 2HB PHE 38 1HB PHE 38 0.546 -1.604 -13.091 236 HD1 PHE 38 HD1 PHE 38 -0.996 -1.899 -10.692 237 HD2 PHE 38 HD2 PHE 38 -1.746 -3.562 -14.580 238 HE1 PHE 38 HE1 PHE 38 -2.287 -3.744 -9.654 239 HE2 PHE 38 HE2 PHE 38 -3.038 -5.406 -13.543 240 HZ PHE 38 HZ PHE 38 -3.308 -5.498 -11.079 241 H SER 39 H SER 39 0.242 1.133 -10.989 242 HA SER 39 HA SER 39 1.273 3.358 -12.351 243 1HB SER 39 2HB SER 39 2.952 3.493 -10.567 244 2HB SER 39 1HB SER 39 1.392 3.038 -9.888 245 HG SER 39 HG SER 39 3.723 1.535 -10.244 246 H ARG 40 H ARG 40 3.661 3.713 -12.902 247 HA ARG 40 HA ARG 40 4.491 1.599 -14.737 248 1HB ARG 40 2HB ARG 40 6.076 3.184 -15.585 249 2HB ARG 40 1HB ARG 40 4.599 4.092 -15.256 250 1HG ARG 40 2HG ARG 40 5.528 4.757 -13.049 251 2HG ARG 40 1HG ARG 40 7.023 3.908 -13.442 252 1HD ARG 40 2HD ARG 40 7.540 6.087 -14.100 253 2HD ARG 40 1HD ARG 40 6.966 5.387 -15.612 254 HE ARG 40 HE ARG 40 5.716 7.558 -14.219 255 1HH1 ARG 40 1HH1 ARG 40 5.238 7.080 -17.086 256 2HH1 ARG 40 2HH1 ARG 40 3.603 6.509 -17.119 257 1HH2 ARG 40 1HH2 ARG 40 3.516 5.752 -13.737 258 2HH2 ARG 40 2HH2 ARG 40 2.629 5.756 -15.224 259 H ALA 41 H ALA 41 6.254 0.240 -14.433 260 HA ALA 41 HA ALA 41 7.145 -0.445 -11.882 261 1HB ALA 41 1HB ALA 41 9.385 -0.892 -13.505 262 2HB ALA 41 2HB ALA 41 8.013 -0.981 -14.611 263 3HB ALA 41 3HB ALA 41 8.075 -2.031 -13.197 264 H GLY 42 H GLY 42 9.535 -0.191 -11.130 265 1HA GLY 42 2HA GLY 42 11.249 1.238 -10.414 266 2HA GLY 42 1HA GLY 42 10.894 2.251 -11.809 267 H LYS 43 H LYS 43 8.253 1.437 -9.723 268 HA LYS 43 HA LYS 43 7.989 4.274 -9.008 269 1HB LYS 43 2HB LYS 43 5.963 3.234 -9.706 270 2HB LYS 43 1HB LYS 43 6.220 1.861 -8.641 271 1HG LYS 43 2HG LYS 43 4.651 3.108 -7.437 272 2HG LYS 43 1HG LYS 43 6.160 3.673 -6.735 273 1HD LYS 43 2HD LYS 43 4.859 5.630 -7.245 274 2HD LYS 43 1HD LYS 43 6.142 5.540 -8.453 275 1HE LYS 43 2HE LYS 43 4.655 4.670 -10.109 276 2HE LYS 43 1HE LYS 43 3.396 4.357 -8.913 277 1HZ LYS 43 1HZ LYS 43 2.658 6.424 -9.104 278 2HZ LYS 43 2HZ LYS 43 3.700 6.627 -10.431 279 3HZ LYS 43 3HZ LYS 43 4.203 7.081 -8.872 280 H ILE 44 H ILE 44 8.741 5.089 -7.103 281 HA ILE 44 HA ILE 44 9.854 3.286 -5.096 282 HB ILE 44 HB ILE 44 10.981 5.384 -5.485 283 1HG1 ILE 44 2HG1 ILE 44 10.708 6.454 -3.148 284 2HG1 ILE 44 1HG1 ILE 44 9.522 5.183 -2.846 285 1HG2 ILE 44 1HG2 ILE 44 8.217 6.404 -5.358 286 2HG2 ILE 44 2HG2 ILE 44 9.604 7.015 -6.260 287 3HG2 ILE 44 3HG2 ILE 44 9.412 7.422 -4.554 288 1HD1 ILE 44 1HD1 ILE 44 11.149 3.457 -3.203 289 2HD1 ILE 44 2HD1 ILE 44 11.900 4.634 -2.127 290 3HD1 ILE 44 3HD1 ILE 44 12.322 4.609 -3.839 291 H CYS 45 H CYS 45 8.276 2.125 -4.085 292 HA CYS 45 HA CYS 45 5.813 3.410 -3.125 293 1HB CYS 45 2HB CYS 45 5.305 1.093 -2.306 294 2HB CYS 45 1HB CYS 45 5.630 1.176 -4.035 295 H ARG 46 H ARG 46 8.978 2.761 -1.895 296 HA ARG 46 HA ARG 46 8.242 3.905 0.675 297 1HB ARG 46 2HB ARG 46 8.322 0.983 0.342 298 2HB ARG 46 1HB ARG 46 9.294 1.584 1.686 299 1HG ARG 46 2HG ARG 46 7.128 3.047 2.154 300 2HG ARG 46 1HG ARG 46 6.335 1.745 1.265 301 1HD ARG 46 2HD ARG 46 8.002 0.355 2.958 302 2HD ARG 46 1HD ARG 46 7.520 1.725 3.957 303 HE ARG 46 HE ARG 46 5.592 -0.183 2.694 304 1HH1 ARG 46 1HH2 ARG 46 6.775 1.123 5.559 305 2HH1 ARG 46 2HH2 ARG 46 5.224 1.416 6.269 306 1HH2 ARG 46 1HH1 ARG 46 3.459 0.632 3.388 307 2HH2 ARG 46 2HH1 ARG 46 3.346 1.137 5.042 308 H ILE 47 H ILE 47 10.182 3.675 2.256 309 HA ILE 47 HA ILE 47 12.690 4.031 0.672 310 HB ILE 47 HB ILE 47 12.237 6.055 1.821 311 1HG1 ILE 47 2HG1 ILE 47 13.979 6.199 3.541 312 2HG1 ILE 47 1HG1 ILE 47 13.997 4.442 3.695 313 1HG2 ILE 47 1HG2 ILE 47 10.559 5.813 3.345 314 2HG2 ILE 47 2HG2 ILE 47 11.889 5.645 4.490 315 3HG2 ILE 47 3HG2 ILE 47 11.101 4.209 3.835 316 1HD1 ILE 47 1HD1 ILE 47 14.331 5.325 0.926 317 2HD1 ILE 47 2HD1 ILE 47 15.303 4.193 1.867 318 3HD1 ILE 47 3HD1 ILE 47 15.604 5.928 1.988 319 H ALA 48 H ALA 48 14.279 2.546 0.995 320 HA ALA 48 HA ALA 48 13.861 0.288 2.714 321 1HB ALA 48 1HB ALA 48 16.304 -0.200 2.053 322 2HB ALA 48 2HB ALA 48 16.200 1.263 1.071 323 3HB ALA 48 3HB ALA 48 15.130 -0.097 0.742 324 H ARG 49 H ARG 49 15.958 -0.328 4.178 325 HA ARG 49 HA ARG 49 15.898 1.358 6.475 326 1HB ARG 49 2HB ARG 49 17.880 -0.730 5.681 327 2HB ARG 49 1HB ARG 49 17.745 -0.053 7.298 328 1HG ARG 49 2HG ARG 49 15.641 -1.644 5.802 329 2HG ARG 49 1HG ARG 49 16.510 -2.142 7.255 330 1HD ARG 49 2HD ARG 49 15.449 0.286 8.013 331 2HD ARG 49 1HD ARG 49 14.179 -0.374 6.984 332 HE ARG 49 HE ARG 49 15.213 -1.672 9.460 333 1HH1 ARG 49 1HH1 ARG 49 14.251 -3.751 7.656 334 2HH1 ARG 49 2HH1 ARG 49 12.552 -3.819 7.980 335 1HH2 ARG 49 1HH2 ARG 49 12.458 -0.729 9.550 336 2HH2 ARG 49 2HH2 ARG 49 11.535 -2.109 9.054 337 H GLY 50 H GLY 50 19.052 0.566 5.184 338 1HA GLY 50 2HA GLY 50 19.657 3.347 4.544 339 2HA GLY 50 1HA GLY 50 20.523 2.690 5.930 340 H ASP 51 H ASP 51 20.621 3.057 2.586 341 HA ASP 51 HA ASP 51 22.364 2.435 1.112 342 1HB ASP 51 2HB ASP 51 23.406 1.685 3.588 343 2HB ASP 51 1HB ASP 51 23.492 0.236 2.588 344 H TRP 52 H TRP 52 21.178 1.473 -0.464 345 HA TRP 52 HA TRP 52 21.341 -1.196 -1.147 346 1HB TRP 52 2HB TRP 52 18.801 -1.792 -0.489 347 2HB TRP 52 1HB TRP 52 20.155 -2.173 0.557 348 HD1 TRP 52 HD1 TRP 52 18.910 -1.953 2.781 349 HE1 TRP 52 HE1 TRP 52 17.907 0.013 4.066 350 HE3 TRP 52 HE3 TRP 52 18.965 1.676 -0.826 351 HZ2 TRP 52 HZ2 TRP 52 17.229 2.760 3.643 352 HZ3 TRP 52 HZ3 TRP 52 18.149 3.943 -0.338 353 HH2 TRP 52 HH2 TRP 52 17.279 4.472 1.921 354 H ASN 53 H ASN 53 18.745 -1.730 -2.220 355 HA ASN 53 HA ASN 53 18.573 0.474 -4.206 356 1HB ASN 53 2HB ASN 53 18.720 -2.223 -4.601 357 2HB ASN 53 1HB ASN 53 16.971 -1.994 -4.585 358 1HD2 ASN 53 1HD2 ASN 53 19.648 -1.920 -6.629 359 2HD2 ASN 53 2HD2 ASN 53 19.003 -0.949 -7.864 360 H ASP 54 H ASP 54 16.758 1.797 -4.177 361 HA ASP 54 HA ASP 54 14.935 1.740 -1.999 362 1HB ASP 54 2HB ASP 54 15.195 3.225 -4.508 363 2HB ASP 54 1HB ASP 54 13.532 3.058 -3.958 364 H ASP 55 H ASP 55 12.589 1.309 -2.081 365 HA ASP 55 HA ASP 55 12.056 -1.251 -3.371 366 1HB ASP 55 2HB ASP 55 11.183 -0.165 -1.066 367 2HB ASP 55 1HB ASP 55 9.845 0.258 -2.129 368 H ARG 56 H ARG 56 11.835 -1.051 -5.571 369 HA ARG 56 HA ARG 56 10.104 1.086 -6.678 370 1HB ARG 56 2HB ARG 56 11.697 -1.029 -8.097 371 2HB ARG 56 1HB ARG 56 10.957 0.387 -8.827 372 1HG ARG 56 2HG ARG 56 12.762 0.944 -6.550 373 2HG ARG 56 1HG ARG 56 13.552 0.301 -7.989 374 1HD ARG 56 2HD ARG 56 12.499 2.062 -9.359 375 2HD ARG 56 1HD ARG 56 11.711 2.710 -7.922 376 HE ARG 56 HE ARG 56 14.001 3.245 -7.060 377 1HH1 ARG 56 1HH2 ARG 56 15.168 1.452 -9.363 378 2HH1 ARG 56 2HH2 ARG 56 15.896 2.681 -10.340 379 1HH2 ARG 56 1HH1 ARG 56 14.240 5.290 -8.764 380 2HH2 ARG 56 2HH1 ARG 56 15.371 4.855 -10.002 381 H CYS 57 H CYS 57 8.220 0.564 -7.912 382 HA CYS 57 HA CYS 57 7.019 -2.035 -7.169 383 1HB CYS 57 2HB CYS 57 5.668 0.122 -8.791 384 2HB CYS 57 1HB CYS 57 4.930 -1.096 -7.756 385 H THR 58 H THR 58 6.257 -3.481 -8.802 386 HA THR 58 HA THR 58 7.899 -3.541 -11.196 387 HB THR 58 HB THR 58 6.857 -5.639 -11.638 388 HG1 THR 58 HG1 THR 58 4.901 -6.173 -10.475 389 1HG2 THR 58 1HG2 THR 58 6.461 -5.794 -8.718 390 2HG2 THR 58 2HG2 THR 58 8.008 -5.109 -9.213 391 3HG2 THR 58 3HG2 THR 58 7.542 -6.722 -9.758 392 H GLY 59 H GLY 59 6.425 -4.179 -13.312 393 1HA GLY 59 2HA GLY 59 4.883 -1.710 -13.814 394 2HA GLY 59 1HA GLY 59 5.394 -2.875 -15.037 395 H GLN 60 H GLN 60 4.025 -4.355 -12.289 396 HA GLN 60 HA GLN 60 1.268 -4.275 -13.358 397 1HB GLN 60 2HB GLN 60 2.833 -6.858 -13.065 398 2HB GLN 60 1HB GLN 60 1.127 -6.733 -13.496 399 1HG GLN 60 2HG GLN 60 3.435 -5.580 -15.093 400 2HG GLN 60 1HG GLN 60 2.533 -7.037 -15.506 401 1HE2 GLN 60 1HE2 GLN 60 0.016 -5.535 -14.376 402 2HE2 GLN 60 2HE2 GLN 60 -0.445 -4.548 -15.675 403 H SER 61 H SER 61 3.019 -3.773 -10.791 404 HA SER 61 HA SER 61 1.305 -5.375 -8.936 405 1HB SER 61 2HB SER 61 3.947 -5.409 -8.887 406 2HB SER 61 1HB SER 61 3.744 -3.888 -8.021 407 HG SER 61 HG SER 61 2.046 -5.358 -6.868 408 H ALA 62 H ALA 62 -0.083 -4.294 -7.601 409 HA ALA 62 HA ALA 62 -0.143 -1.328 -7.824 410 1HB ALA 62 1HB ALA 62 -2.154 -3.440 -7.088 411 2HB ALA 62 2HB ALA 62 -2.279 -2.159 -8.293 412 3HB ALA 62 3HB ALA 62 -2.407 -1.771 -6.577 413 H ASP 63 H ASP 63 0.521 -3.893 -5.562 414 HA ASP 63 HA ASP 63 0.500 -1.953 -3.304 415 1HB ASP 63 2HB ASP 63 1.022 -4.893 -3.079 416 2HB ASP 63 1HB ASP 63 0.454 -3.794 -1.831 417 H CYS 64 H CYS 64 2.442 -2.767 -1.669 418 HA CYS 64 HA CYS 64 4.911 -2.971 -3.327 419 1HB CYS 64 2HB CYS 64 4.718 -0.627 -2.825 420 2HB CYS 64 1HB CYS 64 4.340 -0.962 -1.137 421 HA PRO 65 HA PRO 65 5.623 -6.070 -0.258 422 1HB PRO 65 2HB PRO 65 7.837 -7.059 -1.528 423 2HB PRO 65 1HB PRO 65 6.187 -7.475 -1.993 424 1HG PRO 65 2HG PRO 65 8.158 -5.725 -3.362 425 2HG PRO 65 1HG PRO 65 6.755 -6.572 -4.034 426 1HD PRO 65 2HD PRO 65 6.910 -3.810 -3.387 427 2HD PRO 65 1HD PRO 65 5.448 -4.715 -3.830 428 H ARG 66 H ARG 66 6.697 -5.697 1.643 429 HA ARG 66 HA ARG 66 8.899 -3.779 1.736 430 1HB ARG 66 2HB ARG 66 6.908 -4.271 3.468 431 2HB ARG 66 1HB ARG 66 8.126 -5.353 4.142 432 1HG ARG 66 2HG ARG 66 9.592 -3.611 4.643 433 2HG ARG 66 1HG ARG 66 8.891 -2.538 3.430 434 1HD ARG 66 2HD ARG 66 7.360 -1.731 4.884 435 2HD ARG 66 1HD ARG 66 6.950 -3.344 5.466 436 HE ARG 66 HE ARG 66 8.416 -2.986 7.275 437 1HH1 ARG 66 1HH1 ARG 66 8.046 -0.048 6.989 438 2HH1 ARG 66 2HH1 ARG 66 9.675 0.522 6.833 439 1HH2 ARG 66 1HH2 ARG 66 10.975 -2.602 6.071 440 2HH2 ARG 66 2HH2 ARG 66 11.333 -0.925 6.312 441 H TYR 67 H TYR 67 10.131 -5.487 0.299 442 HA TYR 67 HA TYR 67 11.132 -7.839 1.626 443 1HB TYR 67 2HB TYR 67 12.371 -8.231 -0.317 444 2HB TYR 67 1HB TYR 67 11.011 -7.292 -0.924 445 HD1 TYR 67 HD1 TYR 67 14.196 -7.662 -1.678 446 HD2 TYR 67 HD2 TYR 67 11.700 -4.553 -0.081 447 HE1 TYR 67 HE1 TYR 67 15.770 -5.954 -2.545 448 HE2 TYR 67 HE2 TYR 67 13.276 -2.845 -0.947 449 HH TYR 67 HH TYR 67 15.734 -3.578 -3.183 450 H HIS 68 HN HIS 68 11.744 -4.631 2.236 451 HA HIS 68 HA HIS 68 14.453 -5.303 3.321 452 1HB HIS 68 2HB HIS 68 13.511 -2.907 1.801 453 2HB HIS 68 1HB HIS 68 14.682 -2.653 3.094 454 HD1 HIS 68 HD1 HIS 68 15.918 -2.057 0.530 455 HD2 HIS 68 HD2 HIS 68 15.627 -6.005 1.835 456 HE1 HIS 68 HE1 HIS 68 17.665 -3.365 -0.752
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