NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
8035 | 1ld6 | 5375 | cing | recoord | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ARG 1 1HT ARG 1 -7.999 -12.782 0.364 2 2H ARG 1 2HT ARG 1 -6.977 -12.686 -1.011 3 3H ARG 1 3HT ARG 1 -8.557 -12.017 -1.065 4 HA ARG 1 HA ARG 1 -6.236 -11.096 0.478 5 1HB ARG 1 2HB ARG 1 -7.973 -9.530 -1.410 6 2HB ARG 1 1HB ARG 1 -6.321 -9.203 -0.905 7 1HG ARG 1 2HG ARG 1 -5.575 -11.177 -2.189 8 2HG ARG 1 1HG ARG 1 -7.232 -11.393 -2.757 9 1HD ARG 1 2HD ARG 1 -6.656 -10.076 -4.463 10 2HD ARG 1 1HD ARG 1 -6.735 -8.747 -3.309 11 HE ARG 1 HE ARG 1 -4.483 -8.531 -3.531 12 1HH1 ARG 1 1HH1 ARG 1 -5.331 -11.810 -4.370 13 2HH1 ARG 1 2HH1 ARG 1 -3.717 -12.244 -4.821 14 1HH2 ARG 1 1HH2 ARG 1 -2.360 -9.099 -4.124 15 2HH2 ARG 1 2HH2 ARG 1 -2.029 -10.705 -4.679 16 HA PRO 2 HA PRO 2 -8.920 -9.731 3.707 17 1HB PRO 2 2HB PRO 2 -7.282 -7.266 3.803 18 2HB PRO 2 1HB PRO 2 -7.609 -8.457 5.073 19 1HG PRO 2 2HG PRO 2 -5.220 -8.316 3.857 20 2HG PRO 2 1HG PRO 2 -5.917 -9.859 4.380 21 1HD PRO 2 2HD PRO 2 -5.726 -8.692 1.642 22 2HD PRO 2 1HD PRO 2 -5.599 -10.385 2.165 23 H ASP 3 H ASP 3 -10.794 -8.653 3.780 24 HA ASP 3 HA ASP 3 -11.936 -7.379 1.656 25 1HB ASP 3 2HB ASP 3 -12.629 -7.857 4.365 26 2HB ASP 3 1HB ASP 3 -12.981 -6.162 4.035 27 H PHE 4 H PHE 4 -10.691 -5.643 4.514 28 HA PHE 4 HA PHE 4 -11.046 -3.077 3.606 29 1HB PHE 4 2HB PHE 4 -9.131 -2.460 5.112 30 2HB PHE 4 1HB PHE 4 -10.418 -3.396 5.872 31 HD1 PHE 4 1HD PHE 4 -6.927 -3.280 4.939 32 HD2 PHE 4 2HD PHE 4 -10.040 -5.778 6.407 33 HE1 PHE 4 1HE PHE 4 -5.251 -4.900 5.724 34 HE2 PHE 4 2HE PHE 4 -8.370 -7.403 7.191 35 HZ PHE 4 HZ PHE 4 -5.973 -6.964 6.851 36 H CYS 5 H CYS 5 -8.519 -5.316 2.686 37 HA CYS 5 HA CYS 5 -6.669 -3.490 1.648 38 1HB CYS 5 2HB CYS 5 -7.262 -6.333 0.890 39 2HB CYS 5 1HB CYS 5 -5.987 -5.387 0.140 40 H LEU 6 H LEU 6 -9.749 -4.446 0.549 41 HA LEU 6 HA LEU 6 -9.331 -3.679 -2.212 42 1HB LEU 6 2HB LEU 6 -12.005 -4.052 -0.887 43 2HB LEU 6 1HB LEU 6 -11.587 -4.261 -2.576 44 HG LEU 6 HG LEU 6 -10.589 -6.061 -0.371 45 1HD1 LEU 6 1HD1 LEU 6 -12.868 -6.512 -2.290 46 2HD1 LEU 6 2HD1 LEU 6 -13.030 -6.175 -0.566 47 3HD1 LEU 6 3HD1 LEU 6 -12.251 -7.663 -1.105 48 1HD2 LEU 6 1HD2 LEU 6 -10.385 -6.060 -3.360 49 2HD2 LEU 6 2HD2 LEU 6 -10.288 -7.566 -2.445 50 3HD2 LEU 6 3HD2 LEU 6 -9.116 -6.282 -2.156 51 H GLU 7 H GLU 7 -9.903 -2.015 0.675 52 HA GLU 7 HA GLU 7 -11.568 0.072 -0.318 53 1HB GLU 7 2HB GLU 7 -9.735 0.005 2.084 54 2HB GLU 7 1HB GLU 7 -10.881 1.292 1.734 55 1HG GLU 7 2HG GLU 7 -12.439 -0.972 1.630 56 2HG GLU 7 1HG GLU 7 -11.311 -1.309 2.941 57 HA PRO 8 HA PRO 8 -8.157 2.177 -2.350 58 1HB PRO 8 2HB PRO 8 -9.601 3.593 -4.079 59 2HB PRO 8 1HB PRO 8 -9.449 1.841 -4.259 60 1HG PRO 8 2HG PRO 8 -11.727 3.445 -3.190 61 2HG PRO 8 1HG PRO 8 -11.756 1.979 -4.185 62 1HD PRO 8 2HD PRO 8 -12.083 2.090 -1.405 63 2HD PRO 8 1HD PRO 8 -11.728 0.634 -2.355 64 HA PRO 9 HA PRO 9 -8.212 6.059 -0.187 65 1HB PRO 9 2HB PRO 9 -6.409 7.480 -1.559 66 2HB PRO 9 1HB PRO 9 -5.933 6.062 -0.614 67 1HG PRO 9 2HG PRO 9 -6.424 6.290 -3.564 68 2HG PRO 9 1HG PRO 9 -5.097 5.481 -2.718 69 1HD PRO 9 2HD PRO 9 -7.274 4.161 -3.696 70 2HD PRO 9 1HD PRO 9 -6.358 3.604 -2.280 71 H TYR 10 H TYR 10 -9.267 7.985 -0.216 72 HA TYR 10 HA TYR 10 -10.778 8.613 -2.619 73 1HB TYR 10 2HB TYR 10 -11.992 10.226 -1.188 74 2HB TYR 10 1HB TYR 10 -12.026 8.589 -0.553 75 HD1 TYR 10 1HD TYR 10 -11.236 12.012 0.121 76 HD2 TYR 10 2HD TYR 10 -10.433 8.022 1.367 77 HE1 TYR 10 1HE TYR 10 -10.465 12.854 2.301 78 HE2 TYR 10 2HE TYR 10 -9.658 8.854 3.548 79 HH TYR 10 HH TYR 10 -10.257 11.198 4.942 80 H ALA 11 H ALA 11 -10.389 10.253 -3.957 81 HA ALA 11 HA ALA 11 -8.088 11.966 -3.378 82 1HB ALA 11 1HB ALA 11 -8.655 10.543 -5.597 83 2HB ALA 11 2HB ALA 11 -7.646 11.989 -5.589 84 3HB ALA 11 3HB ALA 11 -9.349 12.104 -6.037 85 H GLY 12 H GLY 12 -8.929 13.562 -2.074 86 1HA GLY 12 2HA GLY 12 -11.029 15.242 -3.303 87 2HA GLY 12 1HA GLY 12 -10.857 15.026 -1.567 88 H ALA 13 H ALA 13 -9.328 16.213 -0.459 89 HA ALA 13 HA ALA 13 -7.364 17.719 -1.765 90 1HB ALA 13 1HB ALA 13 -8.146 19.907 -1.487 91 2HB ALA 13 2HB ALA 13 -9.445 19.386 -0.412 92 3HB ALA 13 3HB ALA 13 -9.525 19.018 -2.135 93 H CYS 14 H CYS 14 -5.848 16.955 -0.380 94 HA CYS 14 HA CYS 14 -5.660 18.179 2.186 95 1HB CYS 14 2HB CYS 14 -5.529 16.009 3.466 96 2HB CYS 14 1HB CYS 14 -7.142 16.465 2.933 97 H ARG 15 H ARG 15 -3.578 18.458 2.663 98 HA ARG 15 HA ARG 15 -1.577 17.319 0.923 99 1HB ARG 15 2HB ARG 15 -0.943 18.966 3.354 100 2HB ARG 15 1HB ARG 15 -0.083 18.876 1.825 101 1HG ARG 15 2HG ARG 15 -2.844 20.032 1.983 102 2HG ARG 15 1HG ARG 15 -1.416 20.996 2.355 103 1HD ARG 15 2HD ARG 15 -0.544 20.704 0.167 104 2HD ARG 15 1HD ARG 15 -1.740 19.465 -0.214 105 HE ARG 15 HE ARG 15 -3.278 21.607 0.310 106 1HH1 ARG 15 1HH1 ARG 15 -0.491 21.181 -1.750 107 2HH1 ARG 15 2HH1 ARG 15 -0.986 22.395 -2.880 108 1HH2 ARG 15 1HH2 ARG 15 -3.930 23.202 -1.175 109 2HH2 ARG 15 2HH2 ARG 15 -2.939 23.544 -2.554 110 H ALA 16 H ALA 16 -0.361 15.587 1.321 111 HA ALA 16 HA ALA 16 0.469 14.808 3.934 112 1HB ALA 16 1HB ALA 16 -1.873 14.012 3.974 113 2HB ALA 16 2HB ALA 16 -0.696 12.708 4.123 114 3HB ALA 16 3HB ALA 16 -1.517 12.983 2.588 115 H ALA 17 H ALA 17 2.078 13.226 3.887 116 HA ALA 17 HA ALA 17 2.665 11.765 1.556 117 1HB ALA 17 1HB ALA 17 3.784 14.366 1.754 118 2HB ALA 17 2HB ALA 17 4.036 13.156 0.496 119 3HB ALA 17 3HB ALA 17 5.084 13.185 1.913 120 H ALA 18 H ALA 18 2.135 10.941 4.058 121 HA ALA 18 HA ALA 18 4.480 10.491 5.621 122 1HB ALA 18 1HB ALA 18 1.810 9.089 5.691 123 2HB ALA 18 2HB ALA 18 2.272 10.500 6.644 124 3HB ALA 18 3HB ALA 18 3.074 8.953 6.913 125 H ALA 19 H ALA 19 5.341 8.313 6.109 126 HA ALA 19 HA ALA 19 5.948 6.928 3.661 127 1HB ALA 19 1HB ALA 19 7.062 7.086 6.341 128 2HB ALA 19 2HB ALA 19 7.855 6.751 4.802 129 3HB ALA 19 3HB ALA 19 7.076 5.445 5.694 130 H ARG 20 H ARG 20 3.244 6.671 4.095 131 HA ARG 20 HA ARG 20 2.873 3.967 5.162 132 1HB ARG 20 2HB ARG 20 0.789 6.014 4.381 133 2HB ARG 20 1HB ARG 20 0.486 4.466 5.172 134 1HG ARG 20 2HG ARG 20 2.036 5.374 7.025 135 2HG ARG 20 1HG ARG 20 1.726 6.948 6.287 136 1HD ARG 20 2HD ARG 20 -0.248 7.069 7.287 137 2HD ARG 20 1HD ARG 20 -0.744 5.538 6.569 138 HE ARG 20 HE ARG 20 0.569 4.546 8.538 139 1HH1 ARG 20 1HH1 ARG 20 -1.280 7.512 8.675 140 2HH1 ARG 20 2HH1 ARG 20 -1.580 7.386 10.373 141 1HH2 ARG 20 1HH2 ARG 20 0.165 4.387 10.768 142 2HH2 ARG 20 2HH2 ARG 20 -0.762 5.616 11.561 143 H TYR 21 H TYR 21 1.348 2.551 3.966 144 HA TYR 21 HA TYR 21 1.397 2.978 1.064 145 1HB TYR 21 2HB TYR 21 2.190 0.396 2.424 146 2HB TYR 21 1HB TYR 21 2.070 0.653 0.689 147 HD1 TYR 21 1HD TYR 21 3.941 1.713 3.719 148 HD2 TYR 21 2HD TYR 21 3.899 1.463 -0.527 149 HE1 TYR 21 1HE TYR 21 6.315 2.354 3.662 150 HE2 TYR 21 2HE TYR 21 6.270 2.104 -0.596 151 HH TYR 21 HH TYR 21 7.924 3.194 0.738 152 H PHE 22 H PHE 22 -0.168 1.695 -0.108 153 HA PHE 22 HA PHE 22 -2.184 0.319 1.489 154 1HB PHE 22 2HB PHE 22 -4.052 1.535 0.503 155 2HB PHE 22 1HB PHE 22 -3.019 2.610 1.411 156 HD1 PHE 22 1HD PHE 22 -3.548 1.391 -2.065 157 HD2 PHE 22 2HD PHE 22 -2.396 4.612 0.460 158 HE1 PHE 22 1HE PHE 22 -3.397 2.869 -4.024 159 HE2 PHE 22 2HE PHE 22 -2.244 6.094 -1.495 160 HZ PHE 22 HZ PHE 22 -2.743 5.223 -3.740 161 H TYR 23 H TYR 23 -3.710 -0.894 0.172 162 HA TYR 23 HA TYR 23 -2.299 -2.089 -2.082 163 1HB TYR 23 2HB TYR 23 -3.330 -3.538 -0.376 164 2HB TYR 23 1HB TYR 23 -4.925 -2.902 -0.802 165 HD1 TYR 23 1HD TYR 23 -6.203 -4.136 -2.288 166 HD2 TYR 23 2HD TYR 23 -1.969 -4.503 -2.451 167 HE1 TYR 23 1HE TYR 23 -6.430 -5.857 -4.022 168 HE2 TYR 23 2HE TYR 23 -2.184 -6.228 -4.192 169 HH TYR 23 HH TYR 23 -5.160 -6.876 -5.780 170 H ASN 24 H ASN 24 -3.051 -2.258 -4.166 171 HA ASN 24 HA ASN 24 -5.260 -0.446 -4.906 172 1HB ASN 24 2HB ASN 24 -3.083 0.332 -5.746 173 2HB ASN 24 1HB ASN 24 -2.811 -1.232 -6.513 174 1HD2 ASN 24 1HD2 ASN 24 -2.899 1.406 -7.685 175 2HD2 ASN 24 2HD2 ASN 24 -4.140 1.349 -8.893 176 H ALA 25 H ALA 25 -6.837 -2.079 -4.717 177 HA ALA 25 HA ALA 25 -6.736 -4.656 -5.689 178 1HB ALA 25 1HB ALA 25 -8.558 -4.010 -4.315 179 2HB ALA 25 2HB ALA 25 -9.240 -4.466 -5.879 180 3HB ALA 25 3HB ALA 25 -9.063 -2.763 -5.456 181 H LYS 26 H LYS 26 -6.990 -1.705 -7.482 182 HA LYS 26 HA LYS 26 -7.907 -3.034 -9.896 183 1HB LYS 26 2HB LYS 26 -8.112 -0.444 -8.916 184 2HB LYS 26 1HB LYS 26 -6.964 -0.305 -10.240 185 1HG LYS 26 2HG LYS 26 -9.500 -1.806 -10.674 186 2HG LYS 26 1HG LYS 26 -9.527 -0.043 -10.658 187 1HD LYS 26 2HD LYS 26 -7.380 -0.560 -12.266 188 2HD LYS 26 1HD LYS 26 -8.462 -1.894 -12.667 189 1HE LYS 26 2HE LYS 26 -10.186 0.205 -12.655 190 2HE LYS 26 1HE LYS 26 -8.707 0.981 -13.221 191 1HZ LYS 26 1HZ LYS 26 -9.494 0.245 -15.192 192 2HZ LYS 26 2HZ LYS 26 -10.356 -1.043 -14.517 193 3HZ LYS 26 3HZ LYS 26 -8.685 -1.171 -14.742 194 H ALA 27 H ALA 27 -4.949 -2.840 -8.414 195 HA ALA 27 HA ALA 27 -3.600 -3.223 -10.988 196 1HB ALA 27 1HB ALA 27 -3.362 -0.855 -9.621 197 2HB ALA 27 2HB ALA 27 -2.248 -1.464 -10.844 198 3HB ALA 27 3HB ALA 27 -1.921 -1.746 -9.134 199 H GLY 28 H GLY 28 -4.181 -4.441 -7.968 200 1HA GLY 28 2HA GLY 28 -3.341 -6.244 -6.863 201 2HA GLY 28 1HA GLY 28 -2.351 -6.516 -8.272 202 H LEU 29 H LEU 29 -1.537 -3.502 -7.394 203 HA LEU 29 HA LEU 29 0.587 -4.446 -5.587 204 1HB LEU 29 2HB LEU 29 0.733 -3.076 -8.106 205 2HB LEU 29 1HB LEU 29 1.428 -2.066 -6.853 206 HG LEU 29 HG LEU 29 2.499 -4.619 -6.412 207 1HD1 LEU 29 1HD1 LEU 29 2.424 -3.924 -9.339 208 2HD1 LEU 29 2HD1 LEU 29 1.847 -5.401 -8.564 209 3HD1 LEU 29 3HD1 LEU 29 3.576 -5.053 -8.625 210 1HD2 LEU 29 1HD2 LEU 29 3.919 -2.894 -5.954 211 2HD2 LEU 29 2HD2 LEU 29 3.463 -1.987 -7.396 212 3HD2 LEU 29 3HD2 LEU 29 4.543 -3.375 -7.531 213 H CYS 30 H CYS 30 1.623 -2.514 -4.367 214 HA CYS 30 HA CYS 30 -0.588 -0.990 -3.201 215 1HB CYS 30 2HB CYS 30 2.170 -1.264 -2.027 216 2HB CYS 30 1HB CYS 30 0.690 -0.763 -1.219 217 H GLN 31 H GLN 31 0.305 1.131 -2.133 218 HA GLN 31 HA GLN 31 2.144 2.555 -3.865 219 1HB GLN 31 2HB GLN 31 -0.301 2.681 -4.759 220 2HB GLN 31 1HB GLN 31 -0.540 3.811 -3.433 221 1HG GLN 31 2HG GLN 31 -0.048 5.104 -5.336 222 2HG GLN 31 1HG GLN 31 1.404 5.119 -4.337 223 1HE2 GLN 31 1HE2 GLN 31 0.556 5.148 -7.379 224 2HE2 GLN 31 2HE2 GLN 31 1.784 4.168 -8.098 225 H THR 32 H THR 32 3.193 4.200 -2.866 226 HA THR 32 HA THR 32 2.799 4.481 -0.016 227 HB THR 32 HB THR 32 5.052 4.293 -1.167 228 HG1 THR 32 1HG THR 32 5.897 5.282 0.505 229 1HG2 THR 32 1HG2 THR 32 5.076 7.224 -1.529 230 2HG2 THR 32 2HG2 THR 32 4.329 6.254 -2.801 231 3HG2 THR 32 3HG2 THR 32 6.008 5.968 -2.341 232 H PHE 33 H PHE 33 0.721 5.503 -1.734 233 HA PHE 33 HA PHE 33 -0.710 7.255 -1.833 234 1HB PHE 33 2HB PHE 33 1.071 8.302 0.373 235 2HB PHE 33 1HB PHE 33 -0.368 9.144 -0.183 236 HD1 PHE 33 1HD PHE 33 0.922 6.346 1.733 237 HD2 PHE 33 2HD PHE 33 -2.589 8.187 0.189 238 HE1 PHE 33 1HE PHE 33 -0.453 4.992 3.257 239 HE2 PHE 33 2HE PHE 33 -3.970 6.840 1.716 240 HZ PHE 33 HZ PHE 33 -2.901 5.241 3.254 241 H ALA 34 H ALA 34 -0.922 9.473 -2.588 242 HA ALA 34 HA ALA 34 1.345 10.980 -3.429 243 1HB ALA 34 1HB ALA 34 1.041 10.735 -5.852 244 2HB ALA 34 2HB ALA 34 -0.173 9.487 -5.569 245 3HB ALA 34 3HB ALA 34 1.504 9.210 -5.096 246 H TYR 35 H TYR 35 0.574 12.785 -5.024 247 HA TYR 35 HA TYR 35 -0.735 14.703 -5.089 248 1HB TYR 35 2HB TYR 35 -2.038 12.535 -6.292 249 2HB TYR 35 1HB TYR 35 -3.271 13.376 -5.363 250 HD1 TYR 35 1HD TYR 35 -2.569 13.073 -8.503 251 HD2 TYR 35 2HD TYR 35 -2.296 16.187 -5.612 252 HE1 TYR 35 1HE TYR 35 -2.746 14.748 -10.294 253 HE2 TYR 35 2HE TYR 35 -2.480 17.866 -7.397 254 HH TYR 35 HH TYR 35 -1.848 17.551 -10.290 255 H GLY 36 H GLY 36 -3.288 15.206 -4.424 256 1HA GLY 36 2HA GLY 36 -3.079 15.624 -1.606 257 2HA GLY 36 1HA GLY 36 -4.449 16.058 -2.618 258 H ALA 37 H ALA 37 -3.377 12.732 -2.662 259 HA ALA 37 HA ALA 37 -5.907 11.791 -1.832 260 1HB ALA 37 1HB ALA 37 -4.194 10.593 -3.288 261 2HB ALA 37 2HB ALA 37 -5.048 9.620 -2.089 262 3HB ALA 37 3HB ALA 37 -3.392 10.147 -1.780 263 H CYS 38 H CYS 38 -6.707 11.322 0.108 264 HA CYS 38 HA CYS 38 -5.138 11.955 2.454 265 1HB CYS 38 2HB CYS 38 -7.992 11.613 1.808 266 2HB CYS 38 1HB CYS 38 -7.530 11.045 3.408 267 H ALA 39 H ALA 39 -4.882 10.544 4.259 268 HA ALA 39 HA ALA 39 -4.113 7.902 3.539 269 1HB ALA 39 1HB ALA 39 -3.641 9.651 5.685 270 2HB ALA 39 2HB ALA 39 -2.909 8.074 5.396 271 3HB ALA 39 3HB ALA 39 -4.367 8.202 6.379 272 H ALA 40 H ALA 40 -5.187 6.020 3.681 273 HA ALA 40 HA ALA 40 -8.006 6.079 4.283 274 1HB ALA 40 1HB ALA 40 -7.593 3.495 3.806 275 2HB ALA 40 2HB ALA 40 -6.124 4.136 3.070 276 3HB ALA 40 3HB ALA 40 -7.703 4.688 2.511 277 H LYS 41 H LYS 41 -9.071 4.787 5.836 278 HA LYS 41 HA LYS 41 -7.851 4.732 8.373 279 1HB LYS 41 2HB LYS 41 -10.443 4.456 7.372 280 2HB LYS 41 1HB LYS 41 -10.113 2.922 8.165 281 1HG LYS 41 2HG LYS 41 -10.023 3.849 10.235 282 2HG LYS 41 1HG LYS 41 -9.415 5.395 9.639 283 1HD LYS 41 2HD LYS 41 -11.472 6.252 9.528 284 2HD LYS 41 1HD LYS 41 -12.078 4.849 8.646 285 1HE LYS 41 2HE LYS 41 -12.625 3.704 10.607 286 2HE LYS 41 1HE LYS 41 -11.597 4.733 11.603 287 1HZ LYS 41 1HZ LYS 41 -13.124 6.551 11.284 288 2HZ LYS 41 2HZ LYS 41 -13.965 5.214 11.889 289 3HZ LYS 41 3HZ LYS 41 -14.088 5.620 10.251 290 H ARG 42 H ARG 42 -9.063 1.931 6.518 291 HA ARG 42 HA ARG 42 -7.357 0.153 8.020 292 1HB ARG 42 2HB ARG 42 -9.231 -0.456 5.730 293 2HB ARG 42 1HB ARG 42 -8.463 -1.636 6.782 294 1HG ARG 42 2HG ARG 42 -10.400 0.463 7.727 295 2HG ARG 42 1HG ARG 42 -10.841 -1.198 7.315 296 1HD ARG 42 2HD ARG 42 -10.426 -1.684 9.452 297 2HD ARG 42 1HD ARG 42 -8.720 -1.518 9.041 298 HE ARG 42 HE ARG 42 -8.658 0.454 10.212 299 1HH1 ARG 42 1HH1 ARG 42 -11.985 -0.474 9.714 300 2HH1 ARG 42 2HH1 ARG 42 -12.614 0.733 10.785 301 1HH2 ARG 42 1HH2 ARG 42 -9.482 2.040 11.629 302 2HH2 ARG 42 2HH2 ARG 42 -11.193 2.161 11.871 303 H ASN 43 H ASN 43 -7.665 1.265 4.668 304 HA ASN 43 HA ASN 43 -5.558 -0.359 3.681 305 1HB ASN 43 2HB ASN 43 -7.605 1.193 2.608 306 2HB ASN 43 1HB ASN 43 -6.139 2.046 2.129 307 1HD2 ASN 43 1HD2 ASN 43 -7.381 -1.189 2.425 308 2HD2 ASN 43 2HD2 ASN 43 -6.766 -1.788 0.912 309 H ASN 44 H ASN 44 -4.101 0.343 5.514 310 HA ASN 44 HA ASN 44 -2.229 2.299 4.498 311 1HB ASN 44 2HB ASN 44 -2.189 3.643 6.563 312 2HB ASN 44 1HB ASN 44 -3.760 3.723 5.770 313 1HD2 ASN 44 1HD2 ASN 44 -3.511 4.426 8.386 314 2HD2 ASN 44 2HD2 ASN 44 -4.289 3.256 9.389 315 H PHE 45 H PHE 45 -0.481 0.972 4.500 316 HA PHE 45 HA PHE 45 0.077 -0.563 6.946 317 1HB PHE 45 2HB PHE 45 0.936 -0.974 4.077 318 2HB PHE 45 1HB PHE 45 1.634 -1.862 5.433 319 HD1 PHE 45 1HD PHE 45 -1.425 -1.273 3.488 320 HD2 PHE 45 2HD PHE 45 0.438 -3.621 6.509 321 HE1 PHE 45 1HE PHE 45 -3.291 -2.868 3.392 322 HE2 PHE 45 2HE PHE 45 -1.424 -5.229 6.414 323 HZ PHE 45 HZ PHE 45 -3.294 -4.853 4.852 324 H LYS 46 H LYS 46 2.053 -0.389 7.954 325 HA LYS 46 HA LYS 46 3.382 2.082 7.788 326 1HB LYS 46 2HB LYS 46 4.084 -0.514 9.144 327 2HB LYS 46 1HB LYS 46 5.101 0.915 9.269 328 1HG LYS 46 2HG LYS 46 3.155 2.152 10.188 329 2HG LYS 46 1HG LYS 46 2.247 0.638 10.183 330 1HD LYS 46 2HD LYS 46 3.777 -0.354 11.742 331 2HD LYS 46 1HD LYS 46 4.858 1.038 11.637 332 1HE LYS 46 2HE LYS 46 3.723 1.454 13.606 333 2HE LYS 46 1HE LYS 46 2.783 2.380 12.436 334 1HZ LYS 46 1HZ LYS 46 1.145 1.265 13.548 335 2HZ LYS 46 2HZ LYS 46 2.087 -0.114 13.818 336 3HZ LYS 46 3HZ LYS 46 1.433 0.176 12.286 337 H SER 47 H SER 47 3.738 -0.757 5.931 338 HA SER 47 HA SER 47 5.936 0.430 4.482 339 1HB SER 47 2HB SER 47 6.864 -2.175 4.714 340 2HB SER 47 1HB SER 47 7.535 -0.754 5.516 341 HG SER 47 HG SER 47 6.258 -1.210 7.311 342 H ALA 48 H ALA 48 6.175 -0.373 2.388 343 HA ALA 48 HA ALA 48 3.846 -1.372 1.178 344 1HB ALA 48 1HB ALA 48 4.957 -0.554 -0.581 345 2HB ALA 48 2HB ALA 48 5.961 -2.002 -0.553 346 3HB ALA 48 3HB ALA 48 6.478 -0.556 0.312 347 H GLU 49 H GLU 49 6.755 -2.950 2.353 348 HA GLU 49 HA GLU 49 6.254 -5.511 1.303 349 1HB GLU 49 2HB GLU 49 8.413 -4.842 2.333 350 2HB GLU 49 1HB GLU 49 7.627 -4.780 3.904 351 1HG GLU 49 2HG GLU 49 7.242 -7.135 3.882 352 2HG GLU 49 1HG GLU 49 7.788 -7.259 2.211 353 H ASP 50 H ASP 50 5.203 -3.801 4.181 354 HA ASP 50 HA ASP 50 3.848 -5.951 5.421 355 1HB ASP 50 2HB ASP 50 4.408 -3.323 6.081 356 2HB ASP 50 1HB ASP 50 2.658 -3.324 5.888 357 H CYS 51 H CYS 51 2.755 -3.379 3.173 358 HA CYS 51 HA CYS 51 0.034 -4.125 3.141 359 1HB CYS 51 2HB CYS 51 0.587 -2.014 2.212 360 2HB CYS 51 1HB CYS 51 1.828 -2.705 1.167 361 H LEU 52 H LEU 52 2.657 -4.937 0.860 362 HA LEU 52 HA LEU 52 1.227 -6.694 -0.755 363 1HB LEU 52 2HB LEU 52 4.157 -6.757 -0.030 364 2HB LEU 52 1HB LEU 52 3.431 -7.649 -1.354 365 HG LEU 52 HG LEU 52 3.546 -4.642 -1.119 366 1HD1 LEU 52 1HD1 LEU 52 5.133 -4.758 -2.944 367 2HD1 LEU 52 2HD1 LEU 52 5.015 -6.518 -2.963 368 3HD1 LEU 52 3HD1 LEU 52 5.720 -5.697 -1.571 369 1HD2 LEU 52 1HD2 LEU 52 1.536 -5.549 -2.293 370 2HD2 LEU 52 2HD2 LEU 52 2.625 -6.324 -3.443 371 3HD2 LEU 52 3HD2 LEU 52 2.591 -4.566 -3.309 372 H ARG 53 H ARG 53 2.917 -7.296 2.295 373 HA ARG 53 HA ARG 53 2.802 -10.094 2.246 374 1HB ARG 53 2HB ARG 53 3.972 -8.417 3.907 375 2HB ARG 53 1HB ARG 53 2.488 -8.616 4.826 376 1HG ARG 53 2HG ARG 53 2.962 -10.757 5.392 377 2HG ARG 53 1HG ARG 53 3.836 -11.077 3.890 378 1HD ARG 53 2HD ARG 53 5.549 -11.062 5.436 379 2HD ARG 53 1HD ARG 53 5.566 -9.397 4.855 380 HE ARG 53 HE ARG 53 4.077 -10.067 7.293 381 1HH1 ARG 53 1HH1 ARG 53 6.735 -8.394 5.753 382 2HH1 ARG 53 2HH1 ARG 53 7.065 -7.402 7.132 383 1HH2 ARG 53 1HH2 ARG 53 4.521 -8.764 9.098 384 2HH2 ARG 53 2HH2 ARG 53 5.813 -7.612 9.028 385 H THR 54 H THR 54 0.589 -7.785 3.815 386 HA THR 54 HA THR 54 -1.312 -9.847 4.444 387 HB THR 54 HB THR 54 -1.696 -6.854 4.581 388 HG1 THR 54 1HG THR 54 -1.018 -7.133 6.768 389 1HG2 THR 54 1HG2 THR 54 -2.917 -8.262 6.713 390 2HG2 THR 54 2HG2 THR 54 -3.427 -9.004 5.196 391 3HG2 THR 54 3HG2 THR 54 -3.672 -7.277 5.460 392 H CYS 55 H CYS 55 -1.457 -6.947 2.361 393 HA CYS 55 HA CYS 55 -3.903 -7.797 1.165 394 1HB CYS 55 2HB CYS 55 -2.006 -5.574 0.398 395 2HB CYS 55 1HB CYS 55 -3.604 -5.822 -0.299 396 H GLY 56 H GLY 56 -0.519 -7.766 0.109 397 1HA GLY 56 2HA GLY 56 -1.224 -8.840 -2.492 398 2HA GLY 56 1HA GLY 56 0.401 -8.515 -1.899 399 H GLY 57 H GLY 57 1.141 -10.537 -2.669 400 1HA GLY 57 2HA GLY 57 1.725 -12.566 -1.185 401 2HA GLY 57 1HA GLY 57 0.008 -12.909 -1.331 402 H ALA 58 H ALA 58 -0.612 -12.537 -3.876 403 HA ALA 58 HA ALA 58 0.667 -14.747 -5.176 404 1HB ALA 58 1HB ALA 58 -1.828 -13.764 -5.287 405 2HB ALA 58 2HB ALA 58 -1.130 -14.780 -6.547 406 3HB ALA 58 3HB ALA 58 -1.152 -13.027 -6.740 Start of MODEL 2 1 1H ARG 1 1HT ARG 1 -7.150 -13.488 1.395 2 2H ARG 1 2HT ARG 1 -6.540 -13.829 -0.173 3 3H ARG 1 3HT ARG 1 -8.234 -13.823 0.111 4 HA ARG 1 HA ARG 1 -6.364 -11.570 0.037 5 1HB ARG 1 2HB ARG 1 -7.320 -12.307 -2.066 6 2HB ARG 1 1HB ARG 1 -8.938 -12.268 -1.379 7 1HG ARG 1 2HG ARG 1 -8.736 -9.835 -1.093 8 2HG ARG 1 1HG ARG 1 -7.137 -9.897 -1.837 9 1HD ARG 1 2HD ARG 1 -9.823 -10.364 -3.079 10 2HD ARG 1 1HD ARG 1 -8.536 -9.277 -3.591 11 HE ARG 1 HE ARG 1 -7.476 -11.046 -4.650 12 1HH1 ARG 1 1HH1 ARG 1 -10.251 -12.190 -2.860 13 2HH1 ARG 1 2HH1 ARG 1 -10.252 -13.745 -3.619 14 1HH2 ARG 1 1HH2 ARG 1 -7.481 -13.091 -5.644 15 2HH2 ARG 1 2HH2 ARG 1 -8.681 -14.257 -5.197 16 HA PRO 2 HA PRO 2 -8.810 -10.205 3.584 17 1HB PRO 2 2HB PRO 2 -7.148 -7.803 3.429 18 2HB PRO 2 1HB PRO 2 -7.303 -8.977 4.741 19 1HG PRO 2 2HG PRO 2 -5.082 -8.752 3.174 20 2HG PRO 2 1HG PRO 2 -5.579 -10.250 3.961 21 1HD PRO 2 2HD PRO 2 -5.805 -9.454 1.140 22 2HD PRO 2 1HD PRO 2 -5.566 -11.060 1.839 23 H ASP 3 H ASP 3 -10.678 -9.163 3.504 24 HA ASP 3 HA ASP 3 -11.755 -8.005 1.266 25 1HB ASP 3 2HB ASP 3 -12.503 -7.424 4.136 26 2HB ASP 3 1HB ASP 3 -13.517 -7.110 2.730 27 H PHE 4 H PHE 4 -10.425 -6.184 4.052 28 HA PHE 4 HA PHE 4 -10.992 -3.645 3.168 29 1HB PHE 4 2HB PHE 4 -8.806 -2.989 4.392 30 2HB PHE 4 1HB PHE 4 -10.132 -3.697 5.317 31 HD1 PHE 4 1HD PHE 4 -6.739 -4.119 4.097 32 HD2 PHE 4 2HD PHE 4 -9.962 -5.990 6.145 33 HE1 PHE 4 1HE PHE 4 -5.199 -5.839 4.941 34 HE2 PHE 4 2HE PHE 4 -8.428 -7.716 6.989 35 HZ PHE 4 HZ PHE 4 -6.043 -7.639 6.388 36 H CYS 5 H CYS 5 -8.636 -5.816 1.879 37 HA CYS 5 HA CYS 5 -6.870 -4.017 0.660 38 1HB CYS 5 2HB CYS 5 -7.730 -6.738 -0.319 39 2HB CYS 5 1HB CYS 5 -6.298 -5.857 -0.834 40 H LEU 6 H LEU 6 -10.115 -4.806 -0.016 41 HA LEU 6 HA LEU 6 -10.050 -3.983 -2.788 42 1HB LEU 6 2HB LEU 6 -12.518 -4.348 -1.106 43 2HB LEU 6 1HB LEU 6 -12.361 -4.488 -2.846 44 HG LEU 6 HG LEU 6 -11.079 -6.410 -0.902 45 1HD1 LEU 6 1HD1 LEU 6 -12.951 -7.622 -0.783 46 2HD1 LEU 6 2HD1 LEU 6 -13.342 -7.361 -2.483 47 3HD1 LEU 6 3HD1 LEU 6 -13.776 -6.145 -1.281 48 1HD2 LEU 6 1HD2 LEU 6 -10.471 -7.672 -2.727 49 2HD2 LEU 6 2HD2 LEU 6 -10.275 -6.039 -3.364 50 3HD2 LEU 6 3HD2 LEU 6 -11.717 -6.974 -3.761 51 H GLU 7 H GLU 7 -10.183 -2.388 0.193 52 HA GLU 7 HA GLU 7 -11.906 -0.233 -0.514 53 1HB GLU 7 2HB GLU 7 -9.723 -0.248 1.575 54 2HB GLU 7 1HB GLU 7 -11.068 0.878 1.472 55 1HG GLU 7 2HG GLU 7 -12.592 -1.116 1.758 56 2HG GLU 7 1HG GLU 7 -11.148 -2.036 2.174 57 HA PRO 8 HA PRO 8 -8.779 1.870 -2.945 58 1HB PRO 8 2HB PRO 8 -10.413 3.502 -4.273 59 2HB PRO 8 1HB PRO 8 -10.412 1.765 -4.599 60 1HG PRO 8 2HG PRO 8 -12.361 3.401 -3.049 61 2HG PRO 8 1HG PRO 8 -12.647 1.994 -4.088 62 1HD PRO 8 2HD PRO 8 -12.452 1.982 -1.282 63 2HD PRO 8 1HD PRO 8 -12.407 0.562 -2.346 64 HA PRO 9 HA PRO 9 -8.131 5.504 -0.477 65 1HB PRO 9 2HB PRO 9 -6.343 6.825 -2.000 66 2HB PRO 9 1HB PRO 9 -5.930 5.331 -1.151 67 1HG PRO 9 2HG PRO 9 -6.662 5.738 -4.025 68 2HG PRO 9 1HG PRO 9 -5.376 4.736 -3.332 69 1HD PRO 9 2HD PRO 9 -7.770 3.732 -4.157 70 2HD PRO 9 1HD PRO 9 -6.802 3.008 -2.849 71 H TYR 10 H TYR 10 -7.769 8.031 -1.052 72 HA TYR 10 HA TYR 10 -9.583 8.954 -3.105 73 1HB TYR 10 2HB TYR 10 -11.076 10.117 -1.618 74 2HB TYR 10 1HB TYR 10 -11.018 8.426 -1.140 75 HD1 TYR 10 1HD TYR 10 -8.868 8.066 0.612 76 HD2 TYR 10 2HD TYR 10 -11.289 11.539 0.175 77 HE1 TYR 10 1HE TYR 10 -8.337 8.719 2.922 78 HE2 TYR 10 2HE TYR 10 -10.765 12.201 2.485 79 HH TYR 10 HH TYR 10 -8.941 11.784 4.152 80 H ALA 11 H ALA 11 -9.508 11.264 -3.410 81 HA ALA 11 HA ALA 11 -6.951 12.374 -2.507 82 1HB ALA 11 1HB ALA 11 -7.808 12.099 -5.031 83 2HB ALA 11 2HB ALA 11 -6.711 13.384 -4.519 84 3HB ALA 11 3HB ALA 11 -8.438 13.710 -4.682 85 H GLY 12 H GLY 12 -8.010 12.892 -0.439 86 1HA GLY 12 2HA GLY 12 -9.981 15.033 -0.506 87 2HA GLY 12 1HA GLY 12 -9.365 14.231 0.930 88 H ALA 13 H ALA 13 -9.299 16.467 1.719 89 HA ALA 13 HA ALA 13 -7.375 18.223 0.653 90 1HB ALA 13 1HB ALA 13 -7.933 19.618 2.668 91 2HB ALA 13 2HB ALA 13 -9.082 18.355 3.109 92 3HB ALA 13 3HB ALA 13 -9.284 19.242 1.597 93 H CYS 14 H CYS 14 -5.526 16.758 0.800 94 HA CYS 14 HA CYS 14 -4.030 17.213 3.223 95 1HB CYS 14 2HB CYS 14 -4.231 14.335 2.396 96 2HB CYS 14 1HB CYS 14 -3.676 15.015 3.919 97 H ARG 15 H ARG 15 -2.147 17.877 2.484 98 HA ARG 15 HA ARG 15 -1.214 17.092 -0.146 99 1HB ARG 15 2HB ARG 15 0.174 18.924 1.806 100 2HB ARG 15 1HB ARG 15 0.411 18.829 0.066 101 1HG ARG 15 2HG ARG 15 -1.813 19.715 -0.314 102 2HG ARG 15 1HG ARG 15 -2.116 19.745 1.424 103 1HD ARG 15 2HD ARG 15 -1.508 21.931 1.020 104 2HD ARG 15 1HD ARG 15 0.030 21.214 1.498 105 HE ARG 15 HE ARG 15 0.820 21.549 -0.629 106 1HH1 ARG 15 1HH1 ARG 15 -2.642 21.997 -0.610 107 2HH1 ARG 15 2HH1 ARG 15 -2.694 22.631 -2.220 108 1HH2 ARG 15 1HH2 ARG 15 0.752 22.384 -2.747 109 2HH2 ARG 15 2HH2 ARG 15 -0.769 22.851 -3.433 110 H ALA 16 H ALA 16 -1.180 15.188 2.186 111 HA ALA 16 HA ALA 16 1.587 14.763 2.805 112 1HB ALA 16 1HB ALA 16 -0.616 14.056 4.093 113 2HB ALA 16 2HB ALA 16 0.880 13.133 4.233 114 3HB ALA 16 3HB ALA 16 -0.398 12.581 3.150 115 H ALA 17 H ALA 17 2.987 13.251 1.947 116 HA ALA 17 HA ALA 17 2.152 11.323 0.074 117 1HB ALA 17 1HB ALA 17 4.124 12.855 -1.351 118 2HB ALA 17 2HB ALA 17 2.714 13.846 -0.979 119 3HB ALA 17 3HB ALA 17 2.520 12.340 -1.876 120 H ALA 18 H ALA 18 3.416 11.134 2.460 121 HA ALA 18 HA ALA 18 5.580 9.450 1.864 122 1HB ALA 18 1HB ALA 18 7.256 10.909 1.662 123 2HB ALA 18 2HB ALA 18 7.085 11.199 3.394 124 3HB ALA 18 3HB ALA 18 6.261 12.246 2.239 125 H ALA 19 H ALA 19 4.084 8.250 3.241 126 HA ALA 19 HA ALA 19 4.915 8.325 5.982 127 1HB ALA 19 1HB ALA 19 2.294 8.462 6.578 128 2HB ALA 19 2HB ALA 19 2.362 9.550 5.192 129 3HB ALA 19 3HB ALA 19 3.383 9.849 6.598 130 H ARG 20 H ARG 20 2.194 7.152 3.962 131 HA ARG 20 HA ARG 20 2.887 4.422 4.779 132 1HB ARG 20 2HB ARG 20 0.096 5.573 4.922 133 2HB ARG 20 1HB ARG 20 0.530 3.889 5.218 134 1HG ARG 20 2HG ARG 20 2.138 5.555 6.878 135 2HG ARG 20 1HG ARG 20 0.451 6.036 7.053 136 1HD ARG 20 2HD ARG 20 1.059 3.138 7.079 137 2HD ARG 20 1HD ARG 20 1.556 4.076 8.484 138 HE ARG 20 HE ARG 20 -1.133 3.406 7.704 139 1HH1 ARG 20 1HH1 ARG 20 0.863 5.598 9.545 140 2HH1 ARG 20 2HH1 ARG 20 -0.412 6.053 10.624 141 1HH2 ARG 20 1HH2 ARG 20 -2.814 4.003 9.123 142 2HH2 ARG 20 2HH2 ARG 20 -2.499 5.147 10.385 143 H TYR 21 H TYR 21 1.137 2.910 3.604 144 HA TYR 21 HA TYR 21 0.960 3.752 0.780 145 1HB TYR 21 2HB TYR 21 1.809 1.015 1.751 146 2HB TYR 21 1HB TYR 21 1.648 1.522 0.074 147 HD1 TYR 21 1HD TYR 21 3.488 2.454 3.191 148 HD2 TYR 21 2HD TYR 21 3.536 2.210 -1.055 149 HE1 TYR 21 1HE TYR 21 5.852 3.133 3.184 150 HE2 TYR 21 2HE TYR 21 5.898 2.890 -1.075 151 HH TYR 21 HH TYR 21 7.534 3.914 0.237 152 H PHE 22 H PHE 22 -0.386 2.024 -0.460 153 HA PHE 22 HA PHE 22 -2.554 0.886 1.131 154 1HB PHE 22 2HB PHE 22 -4.260 1.905 -0.388 155 2HB PHE 22 1HB PHE 22 -3.480 3.040 0.692 156 HD1 PHE 22 1HD PHE 22 -1.657 4.524 -0.222 157 HD2 PHE 22 2HD PHE 22 -4.165 2.155 -2.711 158 HE1 PHE 22 1HE PHE 22 -1.017 5.890 -2.164 159 HE2 PHE 22 2HE PHE 22 -3.533 3.521 -4.656 160 HZ PHE 22 HZ PHE 22 -1.955 5.389 -4.383 161 H TYR 23 H TYR 23 -3.723 -0.707 0.040 162 HA TYR 23 HA TYR 23 -2.216 -1.931 -2.134 163 1HB TYR 23 2HB TYR 23 -2.982 -3.351 -0.302 164 2HB TYR 23 1HB TYR 23 -4.664 -2.950 -0.668 165 HD1 TYR 23 1HD TYR 23 -5.853 -4.285 -2.170 166 HD2 TYR 23 2HD TYR 23 -1.606 -4.461 -2.175 167 HE1 TYR 23 1HE TYR 23 -5.942 -6.155 -3.764 168 HE2 TYR 23 2HE TYR 23 -1.680 -6.333 -3.767 169 HH TYR 23 HH TYR 23 -4.574 -8.001 -4.510 170 H ASN 24 H ASN 24 -2.817 -2.052 -4.186 171 HA ASN 24 HA ASN 24 -5.303 -0.689 -4.974 172 1HB ASN 24 2HB ASN 24 -3.232 0.292 -5.861 173 2HB ASN 24 1HB ASN 24 -2.803 -1.255 -6.591 174 1HD2 ASN 24 1HD2 ASN 24 -3.344 1.439 -7.706 175 2HD2 ASN 24 2HD2 ASN 24 -4.530 1.163 -8.938 176 H ALA 25 H ALA 25 -6.756 -2.392 -4.803 177 HA ALA 25 HA ALA 25 -6.397 -5.016 -5.610 178 1HB ALA 25 1HB ALA 25 -8.348 -4.024 -4.325 179 2HB ALA 25 2HB ALA 25 -8.744 -5.261 -5.521 180 3HB ALA 25 3HB ALA 25 -9.013 -3.558 -5.893 181 H LYS 26 H LYS 26 -6.988 -2.179 -7.531 182 HA LYS 26 HA LYS 26 -7.695 -3.640 -9.916 183 1HB LYS 26 2HB LYS 26 -8.028 -1.024 -9.032 184 2HB LYS 26 1HB LYS 26 -6.864 -0.886 -10.342 185 1HG LYS 26 2HG LYS 26 -8.900 -2.628 -11.227 186 2HG LYS 26 1HG LYS 26 -9.687 -1.240 -10.474 187 1HD LYS 26 2HD LYS 26 -7.428 -0.766 -12.361 188 2HD LYS 26 1HD LYS 26 -9.009 -1.199 -13.017 189 1HE LYS 26 2HE LYS 26 -8.602 1.041 -11.048 190 2HE LYS 26 1HE LYS 26 -8.533 1.273 -12.794 191 1HZ LYS 26 1HZ LYS 26 -10.839 0.046 -12.649 192 2HZ LYS 26 2HZ LYS 26 -10.715 1.717 -12.421 193 3HZ LYS 26 3HZ LYS 26 -10.832 0.689 -11.084 194 H ALA 27 H ALA 27 -4.799 -3.251 -8.368 195 HA ALA 27 HA ALA 27 -3.341 -3.638 -10.886 196 1HB ALA 27 1HB ALA 27 -2.605 -1.658 -8.746 197 2HB ALA 27 2HB ALA 27 -2.979 -1.336 -10.439 198 3HB ALA 27 3HB ALA 27 -1.496 -2.191 -10.010 199 H GLY 28 H GLY 28 -4.008 -4.817 -7.859 200 1HA GLY 28 2HA GLY 28 -3.176 -6.581 -6.694 201 2HA GLY 28 1HA GLY 28 -2.123 -6.855 -8.056 202 H LEU 29 H LEU 29 -1.389 -3.813 -7.226 203 HA LEU 29 HA LEU 29 0.598 -4.654 -5.223 204 1HB LEU 29 2HB LEU 29 0.932 -3.237 -7.794 205 2HB LEU 29 1HB LEU 29 1.859 -2.604 -6.449 206 HG LEU 29 HG LEU 29 2.395 -5.271 -6.248 207 1HD1 LEU 29 1HD1 LEU 29 1.220 -5.830 -8.283 208 2HD1 LEU 29 2HD1 LEU 29 2.954 -6.036 -8.521 209 3HD1 LEU 29 3HD1 LEU 29 2.136 -4.619 -9.179 210 1HD2 LEU 29 1HD2 LEU 29 4.122 -3.691 -6.076 211 2HD2 LEU 29 2HD2 LEU 29 3.812 -3.051 -7.690 212 3HD2 LEU 29 3HD2 LEU 29 4.527 -4.651 -7.499 213 H CYS 30 H CYS 30 1.605 -2.705 -4.086 214 HA CYS 30 HA CYS 30 -0.579 -0.910 -3.316 215 1HB CYS 30 2HB CYS 30 1.936 -0.982 -1.740 216 2HB CYS 30 1HB CYS 30 0.276 -0.787 -1.203 217 H GLN 31 H GLN 31 0.097 1.292 -2.618 218 HA GLN 31 HA GLN 31 2.403 2.381 -3.993 219 1HB GLN 31 2HB GLN 31 -0.403 2.835 -4.864 220 2HB GLN 31 1HB GLN 31 0.676 4.222 -4.871 221 1HG GLN 31 2HG GLN 31 1.173 3.540 -6.935 222 2HG GLN 31 1HG GLN 31 2.208 2.371 -6.119 223 1HE2 GLN 31 1HE2 GLN 31 -1.303 2.570 -6.599 224 2HE2 GLN 31 2HE2 GLN 31 -1.462 1.018 -7.340 225 H THR 32 H THR 32 2.984 4.483 -3.281 226 HA THR 32 HA THR 32 2.130 5.048 -0.593 227 HB THR 32 HB THR 32 4.465 5.489 -2.052 228 HG1 THR 32 1HG THR 32 3.702 6.556 0.459 229 1HG2 THR 32 1HG2 THR 32 3.431 7.638 -2.861 230 2HG2 THR 32 2HG2 THR 32 4.968 7.788 -2.009 231 3HG2 THR 32 3HG2 THR 32 3.460 8.182 -1.184 232 H PHE 33 H PHE 33 0.859 6.685 0.116 233 HA PHE 33 HA PHE 33 -1.197 7.672 -1.390 234 1HB PHE 33 2HB PHE 33 0.145 8.868 1.039 235 2HB PHE 33 1HB PHE 33 -1.340 9.519 0.350 236 HD1 PHE 33 1HD PHE 33 0.169 6.658 2.076 237 HD2 PHE 33 2HD PHE 33 -3.430 8.382 0.602 238 HE1 PHE 33 1HE PHE 33 -1.136 5.003 3.345 239 HE2 PHE 33 2HE PHE 33 -4.741 6.731 1.874 240 HZ PHE 33 HZ PHE 33 -3.595 5.042 3.246 241 H ALA 34 H ALA 34 -0.966 8.687 -3.298 242 HA ALA 34 HA ALA 34 1.184 10.487 -3.859 243 1HB ALA 34 1HB ALA 34 -0.015 10.856 -6.002 244 2HB ALA 34 2HB ALA 34 -1.329 9.846 -5.399 245 3HB ALA 34 3HB ALA 34 0.275 9.153 -5.643 246 H TYR 35 H TYR 35 0.288 12.616 -5.131 247 HA TYR 35 HA TYR 35 -0.210 14.541 -3.281 248 1HB TYR 35 2HB TYR 35 -1.234 15.880 -5.193 249 2HB TYR 35 1HB TYR 35 0.376 15.228 -5.473 250 HD1 TYR 35 1HD TYR 35 0.706 13.358 -7.030 251 HD2 TYR 35 2HD TYR 35 -3.133 15.097 -6.452 252 HE1 TYR 35 1HE TYR 35 -0.092 12.261 -9.080 253 HE2 TYR 35 2HE TYR 35 -3.942 14.004 -8.501 254 HH TYR 35 HH TYR 35 -3.084 11.715 -9.829 255 H GLY 36 H GLY 36 -1.971 15.462 -2.284 256 1HA GLY 36 2HA GLY 36 -4.033 15.668 -1.399 257 2HA GLY 36 1HA GLY 36 -4.594 15.230 -2.987 258 H ALA 37 H ALA 37 -2.895 12.589 -2.256 259 HA ALA 37 HA ALA 37 -5.191 11.049 -1.582 260 1HB ALA 37 1HB ALA 37 -2.317 10.154 -1.519 261 2HB ALA 37 2HB ALA 37 -3.289 10.247 -2.987 262 3HB ALA 37 3HB ALA 37 -3.754 9.147 -1.691 263 H CYS 38 H CYS 38 -6.059 11.273 0.421 264 HA CYS 38 HA CYS 38 -4.307 11.558 2.723 265 1HB CYS 38 2HB CYS 38 -6.750 12.626 2.199 266 2HB CYS 38 1HB CYS 38 -7.202 11.239 3.186 267 H ALA 39 H ALA 39 -5.009 10.261 4.734 268 HA ALA 39 HA ALA 39 -4.551 7.510 4.161 269 1HB ALA 39 1HB ALA 39 -5.192 8.920 6.742 270 2HB ALA 39 2HB ALA 39 -3.600 8.454 6.144 271 3HB ALA 39 3HB ALA 39 -4.761 7.214 6.622 272 H ALA 40 H ALA 40 -5.866 5.760 4.297 273 HA ALA 40 HA ALA 40 -8.739 6.311 4.253 274 1HB ALA 40 1HB ALA 40 -7.241 4.833 2.561 275 2HB ALA 40 2HB ALA 40 -8.969 4.589 2.819 276 3HB ALA 40 3HB ALA 40 -7.801 3.582 3.673 277 H LYS 41 H LYS 41 -10.074 4.355 5.131 278 HA LYS 41 HA LYS 41 -9.739 4.305 7.919 279 1HB LYS 41 2HB LYS 41 -11.698 3.453 6.041 280 2HB LYS 41 1HB LYS 41 -11.364 2.098 7.110 281 1HG LYS 41 2HG LYS 41 -11.742 3.639 9.041 282 2HG LYS 41 1HG LYS 41 -12.286 4.854 7.882 283 1HD LYS 41 2HD LYS 41 -14.082 3.424 7.152 284 2HD LYS 41 1HD LYS 41 -13.486 2.100 8.155 285 1HE LYS 41 2HE LYS 41 -14.225 3.064 10.104 286 2HE LYS 41 1HE LYS 41 -14.137 4.700 9.451 287 1HZ LYS 41 1HZ LYS 41 -16.071 2.913 8.211 288 2HZ LYS 41 2HZ LYS 41 -16.198 4.560 8.578 289 3HZ LYS 41 3HZ LYS 41 -16.416 3.404 9.794 290 H ARG 42 H ARG 42 -9.946 1.311 6.024 291 HA ARG 42 HA ARG 42 -8.129 0.035 7.879 292 1HB ARG 42 2HB ARG 42 -9.604 -1.190 5.549 293 2HB ARG 42 1HB ARG 42 -8.833 -2.042 6.881 294 1HG ARG 42 2HG ARG 42 -11.071 -0.099 7.335 295 2HG ARG 42 1HG ARG 42 -11.365 -1.794 6.945 296 1HD ARG 42 2HD ARG 42 -9.596 -0.929 9.218 297 2HD ARG 42 1HD ARG 42 -11.330 -1.182 9.407 298 HE ARG 42 HE ARG 42 -9.299 -3.199 9.146 299 1HH1 ARG 42 1HH1 ARG 42 -12.688 -2.483 8.724 300 2HH1 ARG 42 2HH1 ARG 42 -13.182 -4.137 8.848 301 1HH2 ARG 42 1HH2 ARG 42 -9.947 -5.377 9.311 302 2HH2 ARG 42 2HH2 ARG 42 -11.626 -5.781 9.181 303 H ASN 43 H ASN 43 -8.207 0.936 4.474 304 HA ASN 43 HA ASN 43 -5.894 -0.531 3.746 305 1HB ASN 43 2HB ASN 43 -7.919 0.840 2.433 306 2HB ASN 43 1HB ASN 43 -6.483 1.805 2.095 307 1HD2 ASN 43 1HD2 ASN 43 -7.518 -1.513 2.298 308 2HD2 ASN 43 2HD2 ASN 43 -6.682 -2.080 0.883 309 H ASN 44 H ASN 44 -4.457 0.164 5.500 310 HA ASN 44 HA ASN 44 -2.810 2.375 4.656 311 1HB ASN 44 2HB ASN 44 -2.894 3.575 6.799 312 2HB ASN 44 1HB ASN 44 -4.476 3.536 6.025 313 1HD2 ASN 44 1HD2 ASN 44 -6.083 2.166 6.867 314 2HD2 ASN 44 2HD2 ASN 44 -6.013 1.603 8.499 315 H PHE 45 H PHE 45 -1.051 1.009 4.468 316 HA PHE 45 HA PHE 45 -0.252 -0.476 6.873 317 1HB PHE 45 2HB PHE 45 0.567 -0.776 3.972 318 2HB PHE 45 1HB PHE 45 1.272 -1.693 5.305 319 HD1 PHE 45 1HD PHE 45 -0.103 -3.307 6.564 320 HD2 PHE 45 2HD PHE 45 -1.573 -1.320 3.098 321 HE1 PHE 45 1HE PHE 45 -1.922 -4.958 6.395 322 HE2 PHE 45 2HE PHE 45 -3.394 -2.968 2.921 323 HZ PHE 45 HZ PHE 45 -3.570 -4.787 4.571 324 H LYS 46 H LYS 46 1.711 -0.096 7.838 325 HA LYS 46 HA LYS 46 2.817 2.463 7.652 326 1HB LYS 46 2HB LYS 46 2.976 0.462 9.459 327 2HB LYS 46 1HB LYS 46 4.565 0.330 8.718 328 1HG LYS 46 2HG LYS 46 3.854 3.076 9.355 329 2HG LYS 46 1HG LYS 46 3.859 2.021 10.769 330 1HD LYS 46 2HD LYS 46 6.139 1.203 9.847 331 2HD LYS 46 1HD LYS 46 6.104 2.693 8.901 332 1HE LYS 46 2HE LYS 46 6.324 4.029 10.742 333 2HE LYS 46 1HE LYS 46 5.532 2.872 11.811 334 1HZ LYS 46 1HZ LYS 46 8.090 2.060 10.682 335 2HZ LYS 46 2HZ LYS 46 7.458 1.801 12.230 336 3HZ LYS 46 3HZ LYS 46 8.139 3.298 11.836 337 H SER 47 H SER 47 3.409 -0.301 5.719 338 HA SER 47 HA SER 47 5.334 1.162 4.158 339 1HB SER 47 2HB SER 47 6.717 -1.230 4.428 340 2HB SER 47 1HB SER 47 7.160 0.313 5.160 341 HG SER 47 HG SER 47 6.991 -0.903 6.905 342 H ALA 48 H ALA 48 5.689 0.251 2.087 343 HA ALA 48 HA ALA 48 3.495 -1.093 0.989 344 1HB ALA 48 1HB ALA 48 5.457 -1.633 -0.819 345 2HB ALA 48 2HB ALA 48 6.158 -0.262 0.039 346 3HB ALA 48 3HB ALA 48 4.579 -0.106 -0.734 347 H GLU 49 H GLU 49 6.578 -2.262 2.218 348 HA GLU 49 HA GLU 49 6.308 -4.943 1.398 349 1HB GLU 49 2HB GLU 49 8.413 -3.923 2.302 350 2HB GLU 49 1HB GLU 49 7.673 -3.913 3.897 351 1HG GLU 49 2HG GLU 49 8.671 -5.889 4.151 352 2HG GLU 49 1HG GLU 49 7.348 -6.511 3.166 353 H ASP 50 H ASP 50 5.183 -3.086 4.149 354 HA ASP 50 HA ASP 50 4.081 -5.236 5.624 355 1HB ASP 50 2HB ASP 50 4.481 -2.588 6.125 356 2HB ASP 50 1HB ASP 50 2.742 -2.617 5.855 357 H CYS 51 H CYS 51 2.698 -2.965 3.224 358 HA CYS 51 HA CYS 51 0.057 -3.923 3.345 359 1HB CYS 51 2HB CYS 51 0.303 -1.897 2.208 360 2HB CYS 51 1HB CYS 51 1.689 -2.471 1.282 361 H LEU 52 H LEU 52 2.651 -4.726 1.031 362 HA LEU 52 HA LEU 52 1.331 -6.682 -0.409 363 1HB LEU 52 2HB LEU 52 4.252 -6.460 0.310 364 2HB LEU 52 1HB LEU 52 3.623 -7.610 -0.855 365 HG LEU 52 HG LEU 52 3.511 -4.603 -1.081 366 1HD1 LEU 52 1HD1 LEU 52 5.704 -5.255 -1.564 367 2HD1 LEU 52 2HD1 LEU 52 4.918 -5.153 -3.140 368 3HD1 LEU 52 3HD1 LEU 52 5.182 -6.725 -2.386 369 1HD2 LEU 52 1HD2 LEU 52 2.600 -5.031 -3.330 370 2HD2 LEU 52 2HD2 LEU 52 1.520 -5.582 -2.049 371 3HD2 LEU 52 3HD2 LEU 52 2.496 -6.748 -2.943 372 H ARG 53 H ARG 53 3.181 -7.037 2.607 373 HA ARG 53 HA ARG 53 3.094 -9.826 2.769 374 1HB ARG 53 2HB ARG 53 4.013 -7.724 4.380 375 2HB ARG 53 1HB ARG 53 2.867 -8.601 5.383 376 1HG ARG 53 2HG ARG 53 4.513 -10.008 5.852 377 2HG ARG 53 1HG ARG 53 4.381 -10.592 4.192 378 1HD ARG 53 2HD ARG 53 6.437 -9.857 3.787 379 2HD ARG 53 1HD ARG 53 5.906 -8.212 4.125 380 HE ARG 53 HE ARG 53 6.918 -8.334 6.182 381 1HH1 ARG 53 1HH1 ARG 53 6.743 -11.534 4.797 382 2HH1 ARG 53 2HH1 ARG 53 7.765 -12.246 6.000 383 1HH2 ARG 53 1HH2 ARG 53 8.261 -9.270 7.765 384 2HH2 ARG 53 2HH2 ARG 53 8.626 -10.961 7.686 385 H THR 54 H THR 54 0.906 -7.436 4.249 386 HA THR 54 HA THR 54 -0.895 -9.469 5.182 387 HB THR 54 HB THR 54 -1.523 -6.533 5.015 388 HG1 THR 54 1HG THR 54 0.182 -7.870 6.834 389 1HG2 THR 54 1HG2 THR 54 -2.240 -8.651 7.029 390 2HG2 THR 54 2HG2 THR 54 -3.320 -7.922 5.840 391 3HG2 THR 54 3HG2 THR 54 -2.655 -6.940 7.146 392 H CYS 55 H CYS 55 -1.285 -6.791 2.855 393 HA CYS 55 HA CYS 55 -3.727 -7.921 1.875 394 1HB CYS 55 2HB CYS 55 -2.304 -5.373 1.620 395 2HB CYS 55 1HB CYS 55 -3.109 -5.881 0.139 396 H GLY 56 H GLY 56 -0.413 -7.638 0.683 397 1HA GLY 56 2HA GLY 56 -1.009 -8.505 -1.961 398 2HA GLY 56 1HA GLY 56 0.583 -8.473 -1.219 399 H GLY 57 H GLY 57 -0.676 -10.490 -2.956 400 1HA GLY 57 2HA GLY 57 0.155 -12.802 -1.477 401 2HA GLY 57 1HA GLY 57 -1.584 -12.763 -1.726 402 H ALA 58 H ALA 58 0.673 -11.444 -4.045 403 HA ALA 58 HA ALA 58 -0.379 -13.134 -6.112 404 1HB ALA 58 1HB ALA 58 1.712 -11.899 -7.297 405 2HB ALA 58 2HB ALA 58 1.400 -10.794 -5.959 406 3HB ALA 58 3HB ALA 58 0.116 -11.174 -7.107 Start of MODEL 3 1 1H ARG 1 1HT ARG 1 -8.730 -12.220 -1.192 2 2H ARG 1 2HT ARG 1 -7.485 -13.099 -0.405 3 3H ARG 1 3HT ARG 1 -7.232 -12.476 -1.984 4 HA ARG 1 HA ARG 1 -6.180 -11.244 -0.122 5 1HB ARG 1 2HB ARG 1 -6.746 -9.089 -1.173 6 2HB ARG 1 1HB ARG 1 -6.467 -10.347 -2.370 7 1HG ARG 1 2HG ARG 1 -9.262 -10.076 -1.547 8 2HG ARG 1 1HG ARG 1 -8.592 -8.651 -2.343 9 1HD ARG 1 2HD ARG 1 -7.790 -10.159 -4.173 10 2HD ARG 1 1HD ARG 1 -8.685 -11.469 -3.405 11 HE ARG 1 HE ARG 1 -10.478 -9.391 -3.767 12 1HH1 ARG 1 1HH1 ARG 1 -8.508 -11.462 -5.769 13 2HH1 ARG 1 2HH1 ARG 1 -9.595 -11.407 -7.115 14 1HH2 ARG 1 1HH2 ARG 1 -11.912 -9.318 -5.540 15 2HH2 ARG 1 2HH2 ARG 1 -11.527 -10.189 -6.987 16 HA PRO 2 HA PRO 2 -8.681 -10.186 3.353 17 1HB PRO 2 2HB PRO 2 -7.164 -7.682 3.623 18 2HB PRO 2 1HB PRO 2 -7.274 -9.054 4.732 19 1HG PRO 2 2HG PRO 2 -5.037 -8.539 3.316 20 2HG PRO 2 1HG PRO 2 -5.552 -10.189 3.710 21 1HD PRO 2 2HD PRO 2 -5.800 -8.689 1.135 22 2HD PRO 2 1HD PRO 2 -5.417 -10.402 1.415 23 H ASP 3 H ASP 3 -10.571 -9.194 3.631 24 HA ASP 3 HA ASP 3 -11.927 -7.846 1.714 25 1HB ASP 3 2HB ASP 3 -12.509 -8.661 4.249 26 2HB ASP 3 1HB ASP 3 -12.599 -6.908 4.426 27 H PHE 4 H PHE 4 -10.547 -6.148 4.541 28 HA PHE 4 HA PHE 4 -11.102 -3.582 3.754 29 1HB PHE 4 2HB PHE 4 -9.120 -2.902 5.137 30 2HB PHE 4 1HB PHE 4 -10.284 -3.947 5.951 31 HD1 PHE 4 1HD PHE 4 -9.711 -6.264 6.455 32 HD2 PHE 4 2HD PHE 4 -6.904 -3.624 4.654 33 HE1 PHE 4 1HE PHE 4 -7.890 -7.811 7.036 34 HE2 PHE 4 2HE PHE 4 -5.079 -5.168 5.228 35 HZ PHE 4 HZ PHE 4 -5.570 -7.264 6.421 36 H CYS 5 H CYS 5 -8.523 -5.627 2.565 37 HA CYS 5 HA CYS 5 -6.883 -3.644 1.446 38 1HB CYS 5 2HB CYS 5 -7.337 -6.475 0.505 39 2HB CYS 5 1HB CYS 5 -6.037 -5.419 -0.033 40 H LEU 6 H LEU 6 -9.965 -4.796 0.559 41 HA LEU 6 HA LEU 6 -9.816 -4.010 -2.213 42 1HB LEU 6 2HB LEU 6 -12.342 -4.507 -0.659 43 2HB LEU 6 1HB LEU 6 -12.079 -4.677 -2.383 44 HG LEU 6 HG LEU 6 -10.739 -6.445 -0.343 45 1HD1 LEU 6 1HD1 LEU 6 -12.930 -7.028 0.025 46 2HD1 LEU 6 2HD1 LEU 6 -12.506 -8.103 -1.308 47 3HD1 LEU 6 3HD1 LEU 6 -13.426 -6.631 -1.621 48 1HD2 LEU 6 1HD2 LEU 6 -9.626 -6.378 -2.489 49 2HD2 LEU 6 2HD2 LEU 6 -11.153 -6.667 -3.322 50 3HD2 LEU 6 3HD2 LEU 6 -10.455 -7.923 -2.300 51 H GLU 7 H GLU 7 -10.284 -2.379 0.724 52 HA GLU 7 HA GLU 7 -12.070 -0.349 -0.179 53 1HB GLU 7 2HB GLU 7 -10.089 -0.254 2.104 54 2HB GLU 7 1HB GLU 7 -11.428 0.857 1.850 55 1HG GLU 7 2HG GLU 7 -12.884 -1.290 1.933 56 2HG GLU 7 1HG GLU 7 -11.477 -1.989 2.733 57 HA PRO 8 HA PRO 8 -8.841 1.805 -2.440 58 1HB PRO 8 2HB PRO 8 -10.418 3.276 -4.004 59 2HB PRO 8 1HB PRO 8 -10.282 1.528 -4.244 60 1HG PRO 8 2HG PRO 8 -12.449 3.094 -2.909 61 2HG PRO 8 1HG PRO 8 -12.580 1.694 -3.987 62 1HD PRO 8 2HD PRO 8 -12.707 1.594 -1.215 63 2HD PRO 8 1HD PRO 8 -12.332 0.217 -2.270 64 HA PRO 9 HA PRO 9 -8.864 5.669 -0.222 65 1HB PRO 9 2HB PRO 9 -6.573 6.674 -1.424 66 2HB PRO 9 1HB PRO 9 -6.596 5.533 -0.080 67 1HG PRO 9 2HG PRO 9 -5.724 5.071 -2.761 68 2HG PRO 9 1HG PRO 9 -5.771 3.922 -1.415 69 1HD PRO 9 2HD PRO 9 -7.652 4.276 -3.659 70 2HD PRO 9 1HD PRO 9 -7.341 2.849 -2.644 71 H TYR 10 H TYR 10 -8.075 8.105 -0.987 72 HA TYR 10 HA TYR 10 -9.177 8.781 -3.577 73 1HB TYR 10 2HB TYR 10 -10.888 10.255 -2.727 74 2HB TYR 10 1HB TYR 10 -11.131 8.645 -2.066 75 HD1 TYR 10 1HD TYR 10 -10.503 8.181 0.309 76 HD2 TYR 10 2HD TYR 10 -10.524 12.119 -1.299 77 HE1 TYR 10 1HE TYR 10 -10.562 9.103 2.588 78 HE2 TYR 10 2HE TYR 10 -10.583 13.054 0.975 79 HH TYR 10 HH TYR 10 -10.226 12.531 3.199 80 H ALA 11 H ALA 11 -8.215 10.516 -4.430 81 HA ALA 11 HA ALA 11 -6.452 12.095 -2.685 82 1HB ALA 11 1HB ALA 11 -6.143 11.015 -5.414 83 2HB ALA 11 2HB ALA 11 -4.941 11.266 -4.149 84 3HB ALA 11 3HB ALA 11 -5.486 12.626 -5.131 85 H GLY 12 H GLY 12 -7.313 13.985 -2.176 86 1HA GLY 12 2HA GLY 12 -8.140 15.791 -4.270 87 2HA GLY 12 1HA GLY 12 -9.451 15.281 -3.215 88 H ALA 13 H ALA 13 -9.778 16.440 -1.424 89 HA ALA 13 HA ALA 13 -8.100 18.624 -0.855 90 1HB ALA 13 1HB ALA 13 -10.620 18.641 -0.774 91 2HB ALA 13 2HB ALA 13 -9.788 19.400 0.584 92 3HB ALA 13 3HB ALA 13 -10.473 17.784 0.761 93 H CYS 14 H CYS 14 -6.171 17.395 -0.231 94 HA CYS 14 HA CYS 14 -6.066 17.049 2.635 95 1HB CYS 14 2HB CYS 14 -5.093 14.715 1.014 96 2HB CYS 14 1HB CYS 14 -5.389 14.806 2.741 97 H ARG 15 H ARG 15 -3.721 16.296 3.224 98 HA ARG 15 HA ARG 15 -1.709 17.118 1.316 99 1HB ARG 15 2HB ARG 15 -0.760 18.817 2.935 100 2HB ARG 15 1HB ARG 15 -2.238 19.290 2.108 101 1HG ARG 15 2HG ARG 15 -3.545 18.954 4.043 102 2HG ARG 15 1HG ARG 15 -2.241 18.098 4.865 103 1HD ARG 15 2HD ARG 15 -1.460 20.005 5.692 104 2HD ARG 15 1HD ARG 15 -1.325 20.686 4.073 105 HE ARG 15 HE ARG 15 -3.888 20.742 5.509 106 1HH1 ARG 15 1HH1 ARG 15 -1.254 22.434 3.949 107 2HH1 ARG 15 2HH1 ARG 15 -2.073 23.958 3.957 108 1HH2 ARG 15 1HH2 ARG 15 -4.952 22.747 5.518 109 2HH2 ARG 15 2HH2 ARG 15 -4.166 24.138 4.848 110 H ALA 16 H ALA 16 -0.936 15.020 1.592 111 HA ALA 16 HA ALA 16 0.928 14.706 3.731 112 1HB ALA 16 1HB ALA 16 -1.262 14.018 4.774 113 2HB ALA 16 2HB ALA 16 0.029 12.818 4.835 114 3HB ALA 16 3HB ALA 16 -1.269 12.655 3.652 115 H ALA 17 H ALA 17 2.495 13.213 3.254 116 HA ALA 17 HA ALA 17 2.152 11.260 1.245 117 1HB ALA 17 1HB ALA 17 3.051 13.822 0.437 118 2HB ALA 17 2HB ALA 17 2.882 12.363 -0.540 119 3HB ALA 17 3HB ALA 17 4.402 12.699 0.288 120 H ALA 18 H ALA 18 2.734 10.909 3.817 121 HA ALA 18 HA ALA 18 5.526 10.815 4.381 122 1HB ALA 18 1HB ALA 18 4.135 8.961 6.016 123 2HB ALA 18 2HB ALA 18 3.104 10.375 5.801 124 3HB ALA 18 3HB ALA 18 4.736 10.563 6.439 125 H ALA 19 H ALA 19 6.220 8.459 5.313 126 HA ALA 19 HA ALA 19 6.540 6.871 2.944 127 1HB ALA 19 1HB ALA 19 7.570 6.632 5.753 128 2HB ALA 19 2HB ALA 19 8.461 7.009 4.279 129 3HB ALA 19 3HB ALA 19 7.848 5.377 4.545 130 H ARG 20 H ARG 20 4.024 6.652 2.990 131 HA ARG 20 HA ARG 20 3.457 4.040 4.211 132 1HB ARG 20 2HB ARG 20 1.625 6.433 4.188 133 2HB ARG 20 1HB ARG 20 1.078 4.797 4.526 134 1HG ARG 20 2HG ARG 20 1.818 4.858 6.620 135 2HG ARG 20 1HG ARG 20 3.361 5.570 6.153 136 1HD ARG 20 2HD ARG 20 2.666 7.472 7.077 137 2HD ARG 20 1HD ARG 20 1.483 7.597 5.776 138 HE ARG 20 HE ARG 20 0.252 5.992 7.564 139 1HH1 ARG 20 1HH1 ARG 20 1.794 9.110 7.830 140 2HH1 ARG 20 2HH1 ARG 20 0.786 9.638 9.136 141 1HH2 ARG 20 1HH2 ARG 20 -1.075 6.683 9.282 142 2HH2 ARG 20 2HH2 ARG 20 -0.844 8.260 9.960 143 H TYR 21 H TYR 21 1.592 2.947 3.188 144 HA TYR 21 HA TYR 21 1.113 3.726 0.414 145 1HB TYR 21 2HB TYR 21 2.013 0.931 1.097 146 2HB TYR 21 1HB TYR 21 1.797 1.636 -0.500 147 HD1 TYR 21 1HD TYR 21 3.669 2.374 -1.633 148 HD2 TYR 21 2HD TYR 21 3.803 2.160 2.612 149 HE1 TYR 21 1HE TYR 21 6.049 2.980 -1.684 150 HE2 TYR 21 2HE TYR 21 6.184 2.770 2.573 151 HH TYR 21 HH TYR 21 8.080 2.590 -0.086 152 H PHE 22 H PHE 22 -0.353 1.930 -0.621 153 HA PHE 22 HA PHE 22 -2.257 0.763 1.240 154 1HB PHE 22 2HB PHE 22 -4.176 1.811 -0.012 155 2HB PHE 22 1HB PHE 22 -3.284 2.885 1.047 156 HD1 PHE 22 1HD PHE 22 -3.740 1.892 -2.481 157 HD2 PHE 22 2HD PHE 22 -2.259 4.829 0.213 158 HE1 PHE 22 1HE PHE 22 -3.407 3.443 -4.361 159 HE2 PHE 22 2HE PHE 22 -1.924 6.384 -1.660 160 HZ PHE 22 HZ PHE 22 -2.498 5.693 -3.950 161 H TYR 23 H TYR 23 -3.747 -0.722 0.164 162 HA TYR 23 HA TYR 23 -2.402 -2.013 -2.070 163 1HB TYR 23 2HB TYR 23 -3.279 -3.378 -0.215 164 2HB TYR 23 1HB TYR 23 -4.922 -2.855 -0.611 165 HD1 TYR 23 1HD TYR 23 -1.960 -4.383 -2.320 166 HD2 TYR 23 2HD TYR 23 -6.188 -4.286 -1.907 167 HE1 TYR 23 1HE TYR 23 -2.156 -6.228 -3.932 168 HE2 TYR 23 2HE TYR 23 -6.399 -6.129 -3.512 169 HH TYR 23 HH TYR 23 -5.260 -7.284 -5.154 170 H ASN 24 H ASN 24 -3.232 -2.363 -4.099 171 HA ASN 24 HA ASN 24 -5.588 -0.747 -4.836 172 1HB ASN 24 2HB ASN 24 -3.500 0.163 -5.764 173 2HB ASN 24 1HB ASN 24 -3.143 -1.396 -6.507 174 1HD2 ASN 24 1HD2 ASN 24 -3.541 1.268 -7.661 175 2HD2 ASN 24 2HD2 ASN 24 -4.791 1.065 -8.843 176 H ALA 25 H ALA 25 -7.051 -2.453 -4.570 177 HA ALA 25 HA ALA 25 -6.794 -5.063 -5.435 178 1HB ALA 25 1HB ALA 25 -9.186 -3.288 -5.098 179 2HB ALA 25 2HB ALA 25 -8.637 -4.619 -4.078 180 3HB ALA 25 3HB ALA 25 -9.354 -4.952 -5.655 181 H LYS 26 H LYS 26 -7.308 -2.201 -7.312 182 HA LYS 26 HA LYS 26 -8.229 -3.620 -9.657 183 1HB LYS 26 2HB LYS 26 -8.268 -0.937 -8.746 184 2HB LYS 26 1HB LYS 26 -7.373 -0.956 -10.259 185 1HG LYS 26 2HG LYS 26 -9.309 -0.949 -11.330 186 2HG LYS 26 1HG LYS 26 -9.611 -2.570 -10.702 187 1HD LYS 26 2HD LYS 26 -10.487 -1.383 -8.604 188 2HD LYS 26 1HD LYS 26 -10.521 0.073 -9.602 189 1HE LYS 26 2HE LYS 26 -12.585 -0.598 -10.161 190 2HE LYS 26 1HE LYS 26 -11.760 -1.742 -11.218 191 1HZ LYS 26 1HZ LYS 26 -13.541 -2.508 -9.452 192 2HZ LYS 26 2HZ LYS 26 -12.185 -2.542 -8.442 193 3HZ LYS 26 3HZ LYS 26 -12.211 -3.476 -9.852 194 H ALA 27 H ALA 27 -5.224 -3.266 -8.260 195 HA ALA 27 HA ALA 27 -3.934 -3.772 -10.849 196 1HB ALA 27 1HB ALA 27 -3.426 -1.502 -9.088 197 2HB ALA 27 2HB ALA 27 -3.050 -1.724 -10.795 198 3HB ALA 27 3HB ALA 27 -1.974 -2.381 -9.562 199 H GLY 28 H GLY 28 -4.465 -4.878 -7.781 200 1HA GLY 28 2HA GLY 28 -3.630 -6.672 -6.659 201 2HA GLY 28 1HA GLY 28 -2.622 -6.954 -8.052 202 H LEU 29 H LEU 29 -1.837 -3.921 -7.201 203 HA LEU 29 HA LEU 29 0.171 -4.806 -5.243 204 1HB LEU 29 2HB LEU 29 0.540 -3.545 -7.866 205 2HB LEU 29 1HB LEU 29 1.447 -2.785 -6.572 206 HG LEU 29 HG LEU 29 1.720 -5.669 -6.479 207 1HD1 LEU 29 1HD1 LEU 29 2.605 -6.194 -8.518 208 2HD1 LEU 29 2HD1 LEU 29 3.025 -4.522 -8.892 209 3HD1 LEU 29 3HD1 LEU 29 1.349 -5.057 -9.008 210 1HD2 LEU 29 1HD2 LEU 29 3.738 -3.474 -6.923 211 2HD2 LEU 29 2HD2 LEU 29 4.072 -5.121 -6.392 212 3HD2 LEU 29 3HD2 LEU 29 3.168 -4.025 -5.348 213 H CYS 30 H CYS 30 1.344 -2.744 -4.310 214 HA CYS 30 HA CYS 30 -0.805 -0.995 -3.362 215 1HB CYS 30 2HB CYS 30 1.929 -1.089 -2.136 216 2HB CYS 30 1HB CYS 30 0.399 -0.640 -1.399 217 H GLN 31 H GLN 31 0.031 1.227 -2.659 218 HA GLN 31 HA GLN 31 1.992 2.381 -4.458 219 1HB GLN 31 2HB GLN 31 -0.681 2.410 -5.195 220 2HB GLN 31 1HB GLN 31 -0.433 3.997 -4.478 221 1HG GLN 31 2HG GLN 31 0.322 4.620 -6.468 222 2HG GLN 31 1HG GLN 31 1.773 3.693 -6.089 223 1HE2 GLN 31 1HE2 GLN 31 -1.527 2.764 -7.000 224 2HE2 GLN 31 2HE2 GLN 31 -1.068 1.802 -8.360 225 H THR 32 H THR 32 2.717 4.471 -3.814 226 HA THR 32 HA THR 32 2.502 4.931 -0.982 227 HB THR 32 HB THR 32 4.580 5.259 -2.506 228 HG1 THR 32 1HG THR 32 3.738 6.977 -0.444 229 1HG2 THR 32 1HG2 THR 32 3.344 7.986 -2.811 230 2HG2 THR 32 2HG2 THR 32 3.528 6.804 -4.108 231 3HG2 THR 32 3HG2 THR 32 4.955 7.485 -3.329 232 H PHE 33 H PHE 33 1.711 6.789 0.046 233 HA PHE 33 HA PHE 33 -0.700 7.810 -1.034 234 1HB PHE 33 2HB PHE 33 0.915 8.314 1.427 235 2HB PHE 33 1HB PHE 33 -0.313 9.497 0.985 236 HD1 PHE 33 1HD PHE 33 -2.694 8.765 0.769 237 HD2 PHE 33 2HD PHE 33 0.336 6.242 2.370 238 HE1 PHE 33 1HE PHE 33 -4.419 7.326 1.763 239 HE2 PHE 33 2HE PHE 33 -1.389 4.799 3.365 240 HZ PHE 33 HZ PHE 33 -3.770 5.340 3.060 241 H ALA 34 H ALA 34 -0.779 9.226 -2.678 242 HA ALA 34 HA ALA 34 1.384 10.967 -3.348 243 1HB ALA 34 1HB ALA 34 -0.460 11.948 -4.907 244 2HB ALA 34 2HB ALA 34 -1.381 10.534 -4.397 245 3HB ALA 34 3HB ALA 34 0.173 10.330 -5.207 246 H TYR 35 H TYR 35 1.240 13.317 -3.485 247 HA TYR 35 HA TYR 35 0.457 14.496 -1.041 248 1HB TYR 35 2HB TYR 35 2.222 15.217 -2.892 249 2HB TYR 35 1HB TYR 35 0.878 16.211 -3.446 250 HD1 TYR 35 1HD TYR 35 -0.312 17.599 -1.532 251 HD2 TYR 35 2HD TYR 35 3.663 16.102 -1.318 252 HE1 TYR 35 1HE TYR 35 0.217 19.270 0.191 253 HE2 TYR 35 2HE TYR 35 4.205 17.769 0.406 254 HH TYR 35 HH TYR 35 2.348 19.190 2.236 255 H GLY 36 H GLY 36 -1.812 13.557 -1.334 256 1HA GLY 36 2HA GLY 36 -3.684 15.557 -1.452 257 2HA GLY 36 1HA GLY 36 -3.638 14.773 -3.014 258 H ALA 37 H ALA 37 -2.968 12.169 -2.043 259 HA ALA 37 HA ALA 37 -5.567 11.162 -1.578 260 1HB ALA 37 1HB ALA 37 -3.721 9.923 -2.714 261 2HB ALA 37 2HB ALA 37 -4.560 9.000 -1.467 262 3HB ALA 37 3HB ALA 37 -2.975 9.698 -1.132 263 H CYS 38 H CYS 38 -6.685 10.990 0.232 264 HA CYS 38 HA CYS 38 -5.457 11.679 2.752 265 1HB CYS 38 2HB CYS 38 -8.183 11.457 1.691 266 2HB CYS 38 1HB CYS 38 -8.023 10.881 3.348 267 H ALA 39 H ALA 39 -5.538 10.360 4.641 268 HA ALA 39 HA ALA 39 -4.743 7.678 4.171 269 1HB ALA 39 1HB ALA 39 -5.560 8.457 6.904 270 2HB ALA 39 2HB ALA 39 -4.265 9.397 6.160 271 3HB ALA 39 3HB ALA 39 -4.096 7.651 6.341 272 H ALA 40 H ALA 40 -5.994 6.001 3.772 273 HA ALA 40 HA ALA 40 -8.823 6.075 4.135 274 1HB ALA 40 1HB ALA 40 -7.540 3.461 3.672 275 2HB ALA 40 2HB ALA 40 -7.215 4.706 2.465 276 3HB ALA 40 3HB ALA 40 -8.878 4.238 2.823 277 H LYS 41 H LYS 41 -9.969 4.217 5.253 278 HA LYS 41 HA LYS 41 -9.414 4.306 7.999 279 1HB LYS 41 2HB LYS 41 -11.468 3.280 6.333 280 2HB LYS 41 1HB LYS 41 -10.960 1.971 7.393 281 1HG LYS 41 2HG LYS 41 -11.344 3.384 9.338 282 2HG LYS 41 1HG LYS 41 -11.827 4.714 8.283 283 1HD LYS 41 2HD LYS 41 -13.858 3.814 7.860 284 2HD LYS 41 1HD LYS 41 -13.243 2.160 7.869 285 1HE LYS 41 2HE LYS 41 -14.436 2.071 9.795 286 2HE LYS 41 1HE LYS 41 -12.939 2.725 10.456 287 1HZ LYS 41 1HZ LYS 41 -14.348 4.920 9.629 288 2HZ LYS 41 2HZ LYS 41 -14.177 4.384 11.222 289 3HZ LYS 41 3HZ LYS 41 -15.525 3.917 10.315 290 H ARG 42 H ARG 42 -9.554 1.242 6.204 291 HA ARG 42 HA ARG 42 -7.491 0.172 7.943 292 1HB ARG 42 2HB ARG 42 -9.512 -1.036 6.095 293 2HB ARG 42 1HB ARG 42 -8.120 -1.980 6.607 294 1HG ARG 42 2HG ARG 42 -10.077 -0.671 8.483 295 2HG ARG 42 1HG ARG 42 -10.144 -2.360 7.974 296 1HD ARG 42 2HD ARG 42 -7.761 -1.116 9.338 297 2HD ARG 42 1HD ARG 42 -9.050 -1.949 10.199 298 HE ARG 42 HE ARG 42 -7.132 -3.175 8.345 299 1HH1 ARG 42 1HH1 ARG 42 -9.645 -3.520 10.755 300 2HH1 ARG 42 2HH1 ARG 42 -9.362 -5.212 10.977 301 1HH2 ARG 42 1HH2 ARG 42 -6.772 -5.396 8.642 302 2HH2 ARG 42 2HH2 ARG 42 -7.737 -6.277 9.779 303 H ASN 43 H ASN 43 -7.958 1.053 4.592 304 HA ASN 43 HA ASN 43 -5.715 -0.357 3.579 305 1HB ASN 43 2HB ASN 43 -7.911 0.987 2.536 306 2HB ASN 43 1HB ASN 43 -6.545 1.988 2.048 307 1HD2 ASN 43 1HD2 ASN 43 -7.643 -1.297 2.224 308 2HD2 ASN 43 2HD2 ASN 43 -6.924 -1.844 0.737 309 H ASN 44 H ASN 44 -4.236 0.447 5.337 310 HA ASN 44 HA ASN 44 -2.589 2.553 4.275 311 1HB ASN 44 2HB ASN 44 -2.623 3.977 6.265 312 2HB ASN 44 1HB ASN 44 -4.234 3.854 5.559 313 1HD2 ASN 44 1HD2 ASN 44 -5.740 2.390 6.557 314 2HD2 ASN 44 2HD2 ASN 44 -5.633 2.083 8.254 315 H PHE 45 H PHE 45 -0.786 1.271 4.229 316 HA PHE 45 HA PHE 45 -0.007 -0.070 6.729 317 1HB PHE 45 2HB PHE 45 0.805 -0.564 3.855 318 2HB PHE 45 1HB PHE 45 1.547 -1.366 5.239 319 HD1 PHE 45 1HD PHE 45 -1.412 -1.119 3.137 320 HD2 PHE 45 2HD PHE 45 0.306 -3.003 6.543 321 HE1 PHE 45 1HE PHE 45 -3.201 -2.803 3.101 322 HE2 PHE 45 2HE PHE 45 -1.478 -4.699 6.511 323 HZ PHE 45 HZ PHE 45 -3.235 -4.601 4.787 324 H LYS 46 H LYS 46 1.870 0.459 7.733 325 HA LYS 46 HA LYS 46 3.068 2.950 7.192 326 1HB LYS 46 2HB LYS 46 3.042 1.194 9.318 327 2HB LYS 46 1HB LYS 46 4.714 1.127 8.779 328 1HG LYS 46 2HG LYS 46 4.770 3.622 8.903 329 2HG LYS 46 1HG LYS 46 3.169 3.558 9.643 330 1HD LYS 46 2HD LYS 46 4.198 3.342 11.609 331 2HD LYS 46 1HD LYS 46 4.682 1.726 11.091 332 1HE LYS 46 2HE LYS 46 6.340 3.979 10.133 333 2HE LYS 46 1HE LYS 46 6.426 3.613 11.855 334 1HZ LYS 46 1HZ LYS 46 8.049 2.259 11.008 335 2HZ LYS 46 2HZ LYS 46 7.221 1.956 9.564 336 3HZ LYS 46 3HZ LYS 46 6.731 1.197 10.994 337 H SER 47 H SER 47 3.562 -0.058 5.721 338 HA SER 47 HA SER 47 5.819 0.990 4.248 339 1HB SER 47 2HB SER 47 6.743 -1.570 4.801 340 2HB SER 47 1HB SER 47 7.372 -0.068 5.475 341 HG SER 47 HG SER 47 6.551 -0.588 7.339 342 H ALA 48 H ALA 48 6.151 -0.007 2.269 343 HA ALA 48 HA ALA 48 3.894 -1.181 1.065 344 1HB ALA 48 1HB ALA 48 5.076 -0.473 -0.703 345 2HB ALA 48 2HB ALA 48 6.066 -1.920 -0.523 346 3HB ALA 48 3HB ALA 48 6.567 -0.411 0.239 347 H GLU 49 H GLU 49 6.809 -2.536 2.491 348 HA GLU 49 HA GLU 49 6.454 -5.196 1.680 349 1HB GLU 49 2HB GLU 49 7.880 -3.834 3.918 350 2HB GLU 49 1HB GLU 49 7.589 -5.560 4.080 351 1HG GLU 49 2HG GLU 49 8.801 -6.015 2.066 352 2HG GLU 49 1HG GLU 49 8.964 -4.293 1.724 353 H ASP 50 H ASP 50 5.144 -3.283 4.312 354 HA ASP 50 HA ASP 50 3.794 -5.389 5.643 355 1HB ASP 50 2HB ASP 50 4.218 -2.652 6.073 356 2HB ASP 50 1HB ASP 50 2.470 -2.835 5.950 357 H CYS 51 H CYS 51 2.690 -2.988 3.199 358 HA CYS 51 HA CYS 51 0.002 -3.875 3.158 359 1HB CYS 51 2HB CYS 51 0.472 -1.744 2.203 360 2HB CYS 51 1HB CYS 51 1.731 -2.406 1.161 361 H LEU 52 H LEU 52 2.712 -4.539 0.998 362 HA LEU 52 HA LEU 52 1.539 -6.363 -0.702 363 1HB LEU 52 2HB LEU 52 4.334 -5.935 0.278 364 2HB LEU 52 1HB LEU 52 3.979 -7.277 -0.799 365 HG LEU 52 HG LEU 52 3.567 -4.346 -1.384 366 1HD1 LEU 52 1HD1 LEU 52 5.865 -4.849 -1.568 367 2HD1 LEU 52 2HD1 LEU 52 5.228 -4.883 -3.212 368 3HD1 LEU 52 3HD1 LEU 52 5.542 -6.392 -2.358 369 1HD2 LEU 52 1HD2 LEU 52 2.373 -6.712 -2.557 370 2HD2 LEU 52 2HD2 LEU 52 3.290 -5.778 -3.740 371 3HD2 LEU 52 3HD2 LEU 52 1.999 -5.008 -2.818 372 H ARG 53 H ARG 53 3.117 -6.957 2.434 373 HA ARG 53 HA ARG 53 3.025 -9.758 2.339 374 1HB ARG 53 2HB ARG 53 3.673 -7.749 4.291 375 2HB ARG 53 1HB ARG 53 2.691 -8.997 5.038 376 1HG ARG 53 2HG ARG 53 4.755 -10.134 3.363 377 2HG ARG 53 1HG ARG 53 5.423 -9.070 4.602 378 1HD ARG 53 2HD ARG 53 4.517 -10.335 6.344 379 2HD ARG 53 1HD ARG 53 3.360 -11.136 5.282 380 HE ARG 53 HE ARG 53 5.834 -11.885 4.359 381 1HH1 ARG 53 1HH1 ARG 53 4.118 -12.124 7.388 382 2HH1 ARG 53 2HH1 ARG 53 4.901 -13.592 7.860 383 1HH2 ARG 53 1HH2 ARG 53 6.869 -13.816 4.979 384 2HH2 ARG 53 2HH2 ARG 53 6.467 -14.554 6.494 385 H THR 54 H THR 54 0.786 -7.512 3.980 386 HA THR 54 HA THR 54 -1.057 -9.622 4.593 387 HB THR 54 HB THR 54 -1.604 -6.660 4.728 388 HG1 THR 54 1HG THR 54 -0.288 -8.313 6.620 389 1HG2 THR 54 1HG2 THR 54 -3.487 -8.257 5.154 390 2HG2 THR 54 2HG2 THR 54 -3.104 -7.161 6.481 391 3HG2 THR 54 3HG2 THR 54 -2.576 -8.843 6.545 392 H CYS 55 H CYS 55 -1.212 -6.811 2.404 393 HA CYS 55 HA CYS 55 -3.667 -7.798 1.275 394 1HB CYS 55 2HB CYS 55 -2.035 -5.318 0.759 395 2HB CYS 55 1HB CYS 55 -3.486 -5.717 -0.148 396 H GLY 56 H GLY 56 -0.299 -7.473 0.244 397 1HA GLY 56 2HA GLY 56 -0.798 -8.125 -2.485 398 2HA GLY 56 1HA GLY 56 0.763 -8.163 -1.683 399 H GLY 57 H GLY 57 -2.168 -10.004 -2.342 400 1HA GLY 57 2HA GLY 57 -0.844 -12.464 -1.432 401 2HA GLY 57 1HA GLY 57 -2.552 -12.288 -1.803 402 H ALA 58 H ALA 58 -0.130 -11.024 -3.962 403 HA ALA 58 HA ALA 58 -1.125 -12.650 -6.108 404 1HB ALA 58 1HB ALA 58 1.272 -10.823 -6.136 405 2HB ALA 58 2HB ALA 58 -0.390 -10.284 -6.381 406 3HB ALA 58 3HB ALA 58 0.351 -11.406 -7.523 Start of MODEL 4 1 1H ARG 1 1HT ARG 1 -7.966 -13.214 -0.719 2 2H ARG 1 2HT ARG 1 -9.489 -12.616 -0.198 3 3H ARG 1 3HT ARG 1 -8.375 -13.246 0.945 4 HA ARG 1 HA ARG 1 -6.896 -11.492 0.607 5 1HB ARG 1 2HB ARG 1 -7.329 -9.751 -1.044 6 2HB ARG 1 1HB ARG 1 -7.253 -11.326 -1.821 7 1HG ARG 1 2HG ARG 1 -9.948 -10.930 -1.170 8 2HG ARG 1 1HG ARG 1 -9.373 -9.392 -1.818 9 1HD ARG 1 2HD ARG 1 -8.435 -11.682 -3.352 10 2HD ARG 1 1HD ARG 1 -10.193 -11.584 -3.284 11 HE ARG 1 HE ARG 1 -10.122 -9.647 -4.534 12 1HH1 ARG 1 1HH1 ARG 1 -6.883 -10.557 -3.590 13 2HH1 ARG 1 2HH1 ARG 1 -6.123 -9.433 -4.663 14 1HH2 ARG 1 1HH2 ARG 1 -9.119 -8.170 -5.942 15 2HH2 ARG 1 2HH2 ARG 1 -7.390 -8.078 -5.997 16 HA PRO 2 HA PRO 2 -9.360 -9.439 3.649 17 1HB PRO 2 2HB PRO 2 -7.544 -7.149 3.492 18 2HB PRO 2 1HB PRO 2 -7.830 -8.263 4.833 19 1HG PRO 2 2HG PRO 2 -5.529 -8.252 3.390 20 2HG PRO 2 1HG PRO 2 -6.191 -9.711 4.151 21 1HD PRO 2 2HD PRO 2 -6.256 -8.868 1.290 22 2HD PRO 2 1HD PRO 2 -6.094 -10.491 1.992 23 H ASP 3 H ASP 3 -11.148 -8.263 3.495 24 HA ASP 3 HA ASP 3 -12.107 -7.111 1.213 25 1HB ASP 3 2HB ASP 3 -12.846 -7.088 4.038 26 2HB ASP 3 1HB ASP 3 -13.367 -5.636 3.186 27 H PHE 4 H PHE 4 -10.756 -5.252 3.950 28 HA PHE 4 HA PHE 4 -11.004 -2.734 2.894 29 1HB PHE 4 2HB PHE 4 -8.967 -2.141 4.281 30 2HB PHE 4 1HB PHE 4 -10.323 -2.872 5.139 31 HD1 PHE 4 1HD PHE 4 -10.167 -5.282 5.804 32 HD2 PHE 4 2HD PHE 4 -6.845 -3.117 4.265 33 HE1 PHE 4 1HE PHE 4 -8.642 -6.970 6.731 34 HE2 PHE 4 2HE PHE 4 -5.314 -4.805 5.187 35 HZ PHE 4 HZ PHE 4 -6.212 -6.734 6.421 36 H CYS 5 H CYS 5 -8.685 -5.160 1.973 37 HA CYS 5 HA CYS 5 -6.745 -3.531 0.775 38 1HB CYS 5 2HB CYS 5 -7.630 -6.302 -0.031 39 2HB CYS 5 1HB CYS 5 -6.156 -5.503 -0.566 40 H LEU 6 H LEU 6 -9.933 -4.364 -0.159 41 HA LEU 6 HA LEU 6 -9.606 -3.660 -2.944 42 1HB LEU 6 2HB LEU 6 -12.241 -3.861 -1.515 43 2HB LEU 6 1HB LEU 6 -11.888 -4.164 -3.205 44 HG LEU 6 HG LEU 6 -10.895 -5.919 -0.959 45 1HD1 LEU 6 1HD1 LEU 6 -13.355 -6.164 -2.679 46 2HD1 LEU 6 2HD1 LEU 6 -13.278 -6.045 -0.921 47 3HD1 LEU 6 3HD1 LEU 6 -12.674 -7.488 -1.734 48 1HD2 LEU 6 1HD2 LEU 6 -11.236 -6.909 -3.716 49 2HD2 LEU 6 2HD2 LEU 6 -9.964 -7.236 -2.539 50 3HD2 LEU 6 3HD2 LEU 6 -9.939 -5.739 -3.471 51 H GLU 7 H GLU 7 -10.022 -1.965 -0.039 52 HA GLU 7 HA GLU 7 -11.556 0.231 -1.017 53 1HB GLU 7 2HB GLU 7 -11.053 -0.554 1.449 54 2HB GLU 7 1HB GLU 7 -9.664 0.515 1.282 55 1HG GLU 7 2HG GLU 7 -10.918 2.383 1.337 56 2HG GLU 7 1HG GLU 7 -12.263 1.639 0.474 57 HA PRO 8 HA PRO 8 -8.078 2.007 -3.236 58 1HB PRO 8 2HB PRO 8 -9.425 4.063 -4.359 59 2HB PRO 8 1HB PRO 8 -9.558 2.406 -4.960 60 1HG PRO 8 2HG PRO 8 -11.421 3.934 -3.187 61 2HG PRO 8 1HG PRO 8 -11.797 2.856 -4.543 62 1HD PRO 8 2HD PRO 8 -11.960 2.093 -1.929 63 2HD PRO 8 1HD PRO 8 -11.603 0.966 -3.254 64 HA PRO 9 HA PRO 9 -6.298 5.161 -0.731 65 1HB PRO 9 2HB PRO 9 -6.216 7.167 -2.797 66 2HB PRO 9 1HB PRO 9 -4.887 6.229 -2.124 67 1HG PRO 9 2HG PRO 9 -6.376 5.834 -4.609 68 2HG PRO 9 1HG PRO 9 -4.813 5.165 -4.126 69 1HD PRO 9 2HD PRO 9 -7.086 3.683 -4.345 70 2HD PRO 9 1HD PRO 9 -5.766 3.280 -3.226 71 H TYR 10 H TYR 10 -6.592 7.415 -0.022 72 HA TYR 10 HA TYR 10 -9.387 7.966 0.377 73 1HB TYR 10 2HB TYR 10 -7.585 8.190 2.116 74 2HB TYR 10 1HB TYR 10 -7.011 9.596 1.242 75 HD1 TYR 10 1HD TYR 10 -8.385 11.654 1.160 76 HD2 TYR 10 2HD TYR 10 -9.505 8.301 3.528 77 HE1 TYR 10 1HE TYR 10 -9.928 13.078 2.439 78 HE2 TYR 10 2HE TYR 10 -11.053 9.715 4.809 79 HH TYR 10 HH TYR 10 -11.414 12.032 5.346 80 H ALA 11 H ALA 11 -10.177 10.240 0.170 81 HA ALA 11 HA ALA 11 -9.021 11.675 -2.118 82 1HB ALA 11 1HB ALA 11 -11.256 11.968 -3.108 83 2HB ALA 11 2HB ALA 11 -11.922 10.882 -1.888 84 3HB ALA 11 3HB ALA 11 -10.756 10.277 -3.064 85 H GLY 12 H GLY 12 -8.325 13.319 -0.755 86 1HA GLY 12 2HA GLY 12 -10.467 15.106 0.155 87 2HA GLY 12 1HA GLY 12 -9.249 14.618 1.325 88 H ALA 13 H ALA 13 -8.914 16.960 1.443 89 HA ALA 13 HA ALA 13 -7.647 18.214 -0.757 90 1HB ALA 13 1HB ALA 13 -8.504 19.147 1.938 91 2HB ALA 13 2HB ALA 13 -9.047 19.687 0.349 92 3HB ALA 13 3HB ALA 13 -7.446 20.139 0.935 93 H CYS 14 H CYS 14 -6.223 15.971 0.273 94 HA CYS 14 HA CYS 14 -4.083 16.902 1.938 95 1HB CYS 14 2HB CYS 14 -3.811 14.427 0.285 96 2HB CYS 14 1HB CYS 14 -3.293 14.731 1.937 97 H ARG 15 H ARG 15 -1.822 16.963 1.298 98 HA ARG 15 HA ARG 15 -1.172 17.095 -1.496 99 1HB ARG 15 2HB ARG 15 -0.374 19.455 -1.410 100 2HB ARG 15 1HB ARG 15 -2.120 19.288 -1.313 101 1HG ARG 15 2HG ARG 15 -2.215 20.225 0.709 102 2HG ARG 15 1HG ARG 15 -0.807 19.337 1.293 103 1HD ARG 15 2HD ARG 15 -0.411 21.756 1.264 104 2HD ARG 15 1HD ARG 15 0.673 20.901 0.167 105 HE ARG 15 HE ARG 15 -1.672 21.831 -1.161 106 1HH1 ARG 15 1HH1 ARG 15 1.447 22.838 0.037 107 2HH1 ARG 15 2HH1 ARG 15 1.597 24.145 -1.089 108 1HH2 ARG 15 1HH2 ARG 15 -1.476 23.549 -2.643 109 2HH2 ARG 15 2HH2 ARG 15 -0.062 24.550 -2.610 110 H ALA 16 H ALA 16 0.561 15.803 -1.345 111 HA ALA 16 HA ALA 16 2.679 15.110 -0.894 112 1HB ALA 16 1HB ALA 16 3.755 17.050 -1.361 113 2HB ALA 16 2HB ALA 16 4.105 16.974 0.366 114 3HB ALA 16 3HB ALA 16 2.791 17.990 -0.222 115 H ALA 17 H ALA 17 2.239 13.486 0.549 116 HA ALA 17 HA ALA 17 3.113 13.877 3.193 117 1HB ALA 17 1HB ALA 17 1.031 13.045 4.292 118 2HB ALA 17 2HB ALA 17 0.203 13.284 2.752 119 3HB ALA 17 3HB ALA 17 0.902 14.663 3.603 120 H ALA 18 H ALA 18 4.246 12.335 1.378 121 HA ALA 18 HA ALA 18 3.280 9.665 1.261 122 1HB ALA 18 1HB ALA 18 6.146 10.478 0.859 123 2HB ALA 18 2HB ALA 18 4.895 10.801 -0.341 124 3HB ALA 18 3HB ALA 18 5.266 9.140 0.119 125 H ALA 19 H ALA 19 3.364 8.125 2.747 126 HA ALA 19 HA ALA 19 5.615 7.745 4.462 127 1HB ALA 19 1HB ALA 19 4.902 9.284 5.974 128 2HB ALA 19 2HB ALA 19 3.966 7.900 6.537 129 3HB ALA 19 3HB ALA 19 3.208 9.118 5.513 130 H ARG 20 H ARG 20 2.142 7.074 4.108 131 HA ARG 20 HA ARG 20 2.623 4.282 4.865 132 1HB ARG 20 2HB ARG 20 0.090 5.907 4.605 133 2HB ARG 20 1HB ARG 20 0.098 4.168 4.893 134 1HG ARG 20 2HG ARG 20 1.805 5.206 6.825 135 2HG ARG 20 1HG ARG 20 0.465 6.352 6.746 136 1HD ARG 20 2HD ARG 20 -0.377 3.556 6.701 137 2HD ARG 20 1HD ARG 20 0.487 4.005 8.169 138 HE ARG 20 HE ARG 20 -2.106 4.972 7.294 139 1HH1 ARG 20 1HH1 ARG 20 0.578 5.371 9.495 140 2HH1 ARG 20 2HH1 ARG 20 -0.347 6.259 10.656 141 1HH2 ARG 20 1HH2 ARG 20 -3.320 6.143 8.822 142 2HH2 ARG 20 2HH2 ARG 20 -2.559 6.699 10.275 143 H TYR 21 H TYR 21 0.919 2.791 3.639 144 HA TYR 21 HA TYR 21 1.014 3.385 0.766 145 1HB TYR 21 2HB TYR 21 1.800 0.726 1.973 146 2HB TYR 21 1HB TYR 21 1.764 1.122 0.259 147 HD1 TYR 21 1HD TYR 21 3.700 1.844 -0.780 148 HD2 TYR 21 2HD TYR 21 3.388 2.177 3.450 149 HE1 TYR 21 1HE TYR 21 6.055 2.540 -0.668 150 HE2 TYR 21 2HE TYR 21 5.742 2.877 3.574 151 HH TYR 21 HH TYR 21 7.865 2.687 0.851 152 H PHE 22 H PHE 22 -0.342 1.770 -0.492 153 HA PHE 22 HA PHE 22 -2.529 0.584 1.036 154 1HB PHE 22 2HB PHE 22 -4.253 1.621 -0.387 155 2HB PHE 22 1HB PHE 22 -3.387 2.811 0.564 156 HD1 PHE 22 1HD PHE 22 -1.886 4.405 -0.518 157 HD2 PHE 22 2HD PHE 22 -4.059 1.526 -2.772 158 HE1 PHE 22 1HE PHE 22 -1.406 5.660 -2.578 159 HE2 PHE 22 2HE PHE 22 -3.582 2.775 -4.836 160 HZ PHE 22 HZ PHE 22 -2.254 4.846 -4.741 161 H TYR 23 H TYR 23 -3.821 -0.873 -0.223 162 HA TYR 23 HA TYR 23 -2.193 -2.209 -2.236 163 1HB TYR 23 2HB TYR 23 -3.288 -3.558 -0.499 164 2HB TYR 23 1HB TYR 23 -4.872 -3.027 -1.077 165 HD1 TYR 23 1HD TYR 23 -1.750 -4.624 -2.384 166 HD2 TYR 23 2HD TYR 23 -5.994 -4.423 -2.549 167 HE1 TYR 23 1HE TYR 23 -1.771 -6.473 -4.005 168 HE2 TYR 23 2HE TYR 23 -6.027 -6.272 -4.166 169 HH TYR 23 HH TYR 23 -4.232 -8.317 -4.660 170 H ASN 24 H ASN 24 -2.693 -2.468 -4.351 171 HA ASN 24 HA ASN 24 -4.902 -0.820 -5.390 172 1HB ASN 24 2HB ASN 24 -2.647 -0.145 -6.138 173 2HB ASN 24 1HB ASN 24 -2.386 -1.764 -6.792 174 1HD2 ASN 24 1HD2 ASN 24 -2.269 0.694 -8.211 175 2HD2 ASN 24 2HD2 ASN 24 -3.493 0.632 -9.436 176 H ALA 25 H ALA 25 -6.520 -2.404 -5.194 177 HA ALA 25 HA ALA 25 -6.369 -5.065 -5.919 178 1HB ALA 25 1HB ALA 25 -8.805 -3.345 -6.342 179 2HB ALA 25 2HB ALA 25 -8.280 -3.920 -4.758 180 3HB ALA 25 3HB ALA 25 -8.746 -5.076 -6.007 181 H LYS 26 H LYS 26 -6.491 -2.262 -7.951 182 HA LYS 26 HA LYS 26 -7.133 -3.818 -10.332 183 1HB LYS 26 2HB LYS 26 -6.436 -0.891 -10.259 184 2HB LYS 26 1HB LYS 26 -7.372 -1.761 -11.466 185 1HG LYS 26 2HG LYS 26 -9.261 -1.851 -10.123 186 2HG LYS 26 1HG LYS 26 -8.343 -1.561 -8.645 187 1HD LYS 26 2HD LYS 26 -7.789 0.722 -9.836 188 2HD LYS 26 1HD LYS 26 -9.279 0.366 -10.713 189 1HE LYS 26 2HE LYS 26 -10.504 0.197 -8.633 190 2HE LYS 26 1HE LYS 26 -9.020 0.431 -7.709 191 1HZ LYS 26 1HZ LYS 26 -9.015 2.602 -9.263 192 2HZ LYS 26 2HZ LYS 26 -9.686 2.560 -7.711 193 3HZ LYS 26 3HZ LYS 26 -10.681 2.377 -9.068 194 H ALA 27 H ALA 27 -4.365 -3.370 -8.618 195 HA ALA 27 HA ALA 27 -2.740 -3.687 -11.042 196 1HB ALA 27 1HB ALA 27 -1.818 -1.920 -8.796 197 2HB ALA 27 2HB ALA 27 -2.694 -1.304 -10.197 198 3HB ALA 27 3HB ALA 27 -1.130 -2.093 -10.412 199 H GLY 28 H GLY 28 -3.571 -4.964 -8.108 200 1HA GLY 28 2HA GLY 28 -2.749 -6.693 -6.883 201 2HA GLY 28 1HA GLY 28 -1.643 -6.956 -8.207 202 H LEU 29 H LEU 29 -0.966 -3.908 -7.348 203 HA LEU 29 HA LEU 29 0.977 -4.740 -5.301 204 1HB LEU 29 2HB LEU 29 1.406 -3.557 -7.884 205 2HB LEU 29 1HB LEU 29 1.977 -2.464 -6.638 206 HG LEU 29 HG LEU 29 3.062 -4.805 -5.785 207 1HD1 LEU 29 1HD1 LEU 29 2.259 -6.028 -7.737 208 2HD1 LEU 29 2HD1 LEU 29 4.020 -5.939 -7.719 209 3HD1 LEU 29 3HD1 LEU 29 3.097 -4.894 -8.797 210 1HD2 LEU 29 1HD2 LEU 29 4.663 -3.412 -7.818 211 2HD2 LEU 29 2HD2 LEU 29 5.006 -3.724 -6.117 212 3HD2 LEU 29 3HD2 LEU 29 3.961 -2.378 -6.573 213 H CYS 30 H CYS 30 1.916 -2.718 -4.138 214 HA CYS 30 HA CYS 30 -0.380 -1.078 -3.343 215 1HB CYS 30 2HB CYS 30 2.166 -1.191 -1.778 216 2HB CYS 30 1HB CYS 30 0.537 -0.844 -1.224 217 H GLN 31 H GLN 31 0.269 1.113 -2.469 218 HA GLN 31 HA GLN 31 2.476 2.376 -3.850 219 1HB GLN 31 2HB GLN 31 0.768 2.475 -5.559 220 2HB GLN 31 1HB GLN 31 -0.391 3.130 -4.413 221 1HG GLN 31 2HG GLN 31 0.204 5.151 -5.077 222 2HG GLN 31 1HG GLN 31 1.773 4.879 -4.323 223 1HE2 GLN 31 1HE2 GLN 31 3.487 4.053 -5.626 224 2HE2 GLN 31 2HE2 GLN 31 3.496 4.326 -7.333 225 H THR 32 H THR 32 3.153 4.280 -2.902 226 HA THR 32 HA THR 32 2.223 4.756 -0.228 227 HB THR 32 HB THR 32 4.640 4.950 -1.152 228 HG1 THR 32 1HG THR 32 3.634 7.022 0.498 229 1HG2 THR 32 1HG2 THR 32 3.734 6.801 -2.826 230 2HG2 THR 32 2HG2 THR 32 5.371 6.823 -2.171 231 3HG2 THR 32 3HG2 THR 32 4.122 7.840 -1.454 232 H PHE 33 H PHE 33 0.834 6.242 0.477 233 HA PHE 33 HA PHE 33 -0.930 7.564 -1.211 234 1HB PHE 33 2HB PHE 33 -0.201 8.353 1.622 235 2HB PHE 33 1HB PHE 33 -1.670 8.803 0.764 236 HD1 PHE 33 1HD PHE 33 0.157 6.046 2.331 237 HD2 PHE 33 2HD PHE 33 -3.489 7.286 0.541 238 HE1 PHE 33 1HE PHE 33 -0.934 4.006 3.159 239 HE2 PHE 33 2HE PHE 33 -4.591 5.249 1.365 240 HZ PHE 33 HZ PHE 33 -3.312 3.606 2.676 241 H ALA 34 H ALA 34 -1.272 9.923 -1.441 242 HA ALA 34 HA ALA 34 0.913 11.712 -1.038 243 1HB ALA 34 1HB ALA 34 1.955 11.724 -3.023 244 2HB ALA 34 2HB ALA 34 0.452 11.520 -3.924 245 3HB ALA 34 3HB ALA 34 1.250 10.119 -3.211 246 H TYR 35 H TYR 35 0.360 13.479 -3.183 247 HA TYR 35 HA TYR 35 -1.427 15.233 -2.256 248 1HB TYR 35 2HB TYR 35 -0.728 14.531 -5.093 249 2HB TYR 35 1HB TYR 35 -1.902 15.799 -4.757 250 HD1 TYR 35 1HD TYR 35 -1.193 17.962 -4.207 251 HD2 TYR 35 2HD TYR 35 1.601 14.758 -4.080 252 HE1 TYR 35 1HE TYR 35 0.631 19.574 -3.871 253 HE2 TYR 35 2HE TYR 35 3.434 16.362 -3.744 254 HH TYR 35 HH TYR 35 3.333 19.071 -2.660 255 H GLY 36 H GLY 36 -3.613 15.612 -2.281 256 1HA GLY 36 2HA GLY 36 -5.793 14.996 -2.089 257 2HA GLY 36 1HA GLY 36 -5.568 14.601 -3.778 258 H ALA 37 H ALA 37 -4.065 12.972 -1.021 259 HA ALA 37 HA ALA 37 -5.917 10.780 -1.066 260 1HB ALA 37 1HB ALA 37 -4.208 10.619 -3.094 261 2HB ALA 37 2HB ALA 37 -4.762 9.193 -2.217 262 3HB ALA 37 3HB ALA 37 -3.193 9.904 -1.841 263 H CYS 38 H CYS 38 -6.033 11.124 1.130 264 HA CYS 38 HA CYS 38 -3.643 10.965 2.774 265 1HB CYS 38 2HB CYS 38 -6.549 11.520 3.349 266 2HB CYS 38 1HB CYS 38 -5.412 11.175 4.648 267 H ALA 39 H ALA 39 -3.962 9.601 4.865 268 HA ALA 39 HA ALA 39 -4.114 6.879 4.043 269 1HB ALA 39 1HB ALA 39 -2.762 8.161 6.009 270 2HB ALA 39 2HB ALA 39 -2.974 6.412 5.913 271 3HB ALA 39 3HB ALA 39 -4.052 7.378 6.923 272 H ALA 40 H ALA 40 -5.693 5.497 4.089 273 HA ALA 40 HA ALA 40 -8.299 6.325 4.993 274 1HB ALA 40 1HB ALA 40 -7.243 3.910 3.568 275 2HB ALA 40 2HB ALA 40 -8.387 5.126 3.001 276 3HB ALA 40 3HB ALA 40 -8.887 3.941 4.208 277 H LYS 41 H LYS 41 -9.508 5.430 6.637 278 HA LYS 41 HA LYS 41 -8.133 4.622 8.950 279 1HB LYS 41 2HB LYS 41 -10.753 5.402 8.267 280 2HB LYS 41 1HB LYS 41 -10.895 3.832 9.046 281 1HG LYS 41 2HG LYS 41 -11.106 5.548 10.702 282 2HG LYS 41 1HG LYS 41 -9.576 4.704 10.950 283 1HD LYS 41 2HD LYS 41 -8.997 6.802 9.189 284 2HD LYS 41 1HD LYS 41 -10.066 7.495 10.410 285 1HE LYS 41 2HE LYS 41 -7.805 7.753 11.154 286 2HE LYS 41 1HE LYS 41 -8.585 6.537 12.162 287 1HZ LYS 41 1HZ LYS 41 -6.813 5.945 9.854 288 2HZ LYS 41 2HZ LYS 41 -7.506 4.810 10.900 289 3HZ LYS 41 3HZ LYS 41 -6.340 5.891 11.478 290 H ARG 42 H ARG 42 -9.740 2.781 6.434 291 HA ARG 42 HA ARG 42 -9.558 0.315 7.908 292 1HB ARG 42 2HB ARG 42 -10.724 1.157 5.307 293 2HB ARG 42 1HB ARG 42 -10.279 -0.537 5.484 294 1HG ARG 42 2HG ARG 42 -12.044 0.929 7.428 295 2HG ARG 42 1HG ARG 42 -12.651 0.011 6.048 296 1HD ARG 42 2HD ARG 42 -12.447 -1.905 7.155 297 2HD ARG 42 1HD ARG 42 -10.765 -1.559 7.557 298 HE ARG 42 HE ARG 42 -12.025 -0.053 9.346 299 1HH1 ARG 42 1HH1 ARG 42 -12.610 -3.361 8.383 300 2HH1 ARG 42 2HH1 ARG 42 -13.236 -3.828 9.927 301 1HH2 ARG 42 1HH2 ARG 42 -12.850 -0.673 11.375 302 2HH2 ARG 42 2HH2 ARG 42 -13.373 -2.305 11.624 303 H ASN 43 H ASN 43 -8.603 0.686 4.513 304 HA ASN 43 HA ASN 43 -6.366 -1.073 4.978 305 1HB ASN 43 2HB ASN 43 -7.065 -1.734 2.964 306 2HB ASN 43 1HB ASN 43 -8.048 -0.296 2.759 307 1HD2 ASN 43 1HD2 ASN 43 -7.226 1.458 1.716 308 2HD2 ASN 43 2HD2 ASN 43 -5.828 1.366 0.697 309 H ASN 44 H ASN 44 -4.656 -0.170 5.904 310 HA ASN 44 HA ASN 44 -3.165 1.823 4.465 311 1HB ASN 44 2HB ASN 44 -3.033 3.437 6.311 312 2HB ASN 44 1HB ASN 44 -4.696 3.243 5.761 313 1HD2 ASN 44 1HD2 ASN 44 -3.835 4.248 8.285 314 2HD2 ASN 44 2HD2 ASN 44 -4.454 3.186 9.499 315 H PHE 45 H PHE 45 -1.265 0.702 4.411 316 HA PHE 45 HA PHE 45 -0.341 -0.550 6.902 317 1HB PHE 45 2HB PHE 45 0.437 -1.018 4.016 318 2HB PHE 45 1HB PHE 45 1.256 -1.763 5.388 319 HD1 PHE 45 1HD PHE 45 -1.916 -1.575 3.536 320 HD2 PHE 45 2HD PHE 45 0.297 -3.596 6.558 321 HE1 PHE 45 1HE PHE 45 -3.602 -3.365 3.568 322 HE2 PHE 45 2HE PHE 45 -1.384 -5.394 6.592 323 HZ PHE 45 HZ PHE 45 -3.337 -5.281 5.095 324 H LYS 46 H LYS 46 1.525 0.053 7.861 325 HA LYS 46 HA LYS 46 2.584 2.603 7.356 326 1HB LYS 46 2HB LYS 46 4.415 1.842 8.955 327 2HB LYS 46 1HB LYS 46 2.766 1.806 9.563 328 1HG LYS 46 2HG LYS 46 2.677 -0.487 9.589 329 2HG LYS 46 1HG LYS 46 3.910 -0.656 8.338 330 1HD LYS 46 2HD LYS 46 5.185 0.636 10.465 331 2HD LYS 46 1HD LYS 46 4.196 -0.620 11.211 332 1HE LYS 46 2HE LYS 46 5.288 -1.953 9.099 333 2HE LYS 46 1HE LYS 46 6.590 -0.845 9.532 334 1HZ LYS 46 1HZ LYS 46 6.115 -1.684 11.912 335 2HZ LYS 46 2HZ LYS 46 7.010 -2.660 10.860 336 3HZ LYS 46 3HZ LYS 46 5.375 -2.993 11.137 337 H SER 47 H SER 47 3.232 -0.371 5.822 338 HA SER 47 HA SER 47 5.357 0.876 4.301 339 1HB SER 47 2HB SER 47 6.438 -1.648 4.711 340 2HB SER 47 1HB SER 47 7.008 -0.139 5.426 341 HG SER 47 HG SER 47 5.733 -0.558 7.232 342 H ALA 48 H ALA 48 5.658 -0.005 2.268 343 HA ALA 48 HA ALA 48 3.424 -1.233 1.096 344 1HB ALA 48 1HB ALA 48 4.556 -0.251 -0.592 345 2HB ALA 48 2HB ALA 48 5.413 -1.789 -0.688 346 3HB ALA 48 3HB ALA 48 6.115 -0.443 0.210 347 H GLU 49 H GLU 49 6.458 -2.549 2.315 348 HA GLU 49 HA GLU 49 6.118 -5.185 1.401 349 1HB GLU 49 2HB GLU 49 7.692 -3.866 3.562 350 2HB GLU 49 1HB GLU 49 7.452 -5.603 3.693 351 1HG GLU 49 2HG GLU 49 9.562 -4.967 2.577 352 2HG GLU 49 1HG GLU 49 8.513 -5.979 1.586 353 H ASP 50 H ASP 50 4.975 -3.420 4.204 354 HA ASP 50 HA ASP 50 3.783 -5.609 5.545 355 1HB ASP 50 2HB ASP 50 4.203 -2.941 6.125 356 2HB ASP 50 1HB ASP 50 2.454 -3.033 5.944 357 H CYS 51 H CYS 51 2.538 -3.207 3.205 358 HA CYS 51 HA CYS 51 -0.140 -4.084 3.251 359 1HB CYS 51 2HB CYS 51 0.129 -2.022 2.220 360 2HB CYS 51 1HB CYS 51 1.569 -2.531 1.340 361 H LEU 52 H LEU 52 2.466 -4.832 0.923 362 HA LEU 52 HA LEU 52 1.103 -6.703 -0.606 363 1HB LEU 52 2HB LEU 52 4.025 -6.436 0.067 364 2HB LEU 52 1HB LEU 52 3.430 -7.655 -1.043 365 HG LEU 52 HG LEU 52 3.129 -4.674 -1.400 366 1HD1 LEU 52 1HD1 LEU 52 4.826 -6.576 -2.994 367 2HD1 LEU 52 2HD1 LEU 52 5.446 -5.636 -1.637 368 3HD1 LEU 52 3HD1 LEU 52 4.808 -4.814 -3.060 369 1HD2 LEU 52 1HD2 LEU 52 2.731 -6.296 -3.751 370 2HD2 LEU 52 2HD2 LEU 52 1.675 -5.081 -3.035 371 3HD2 LEU 52 3HD2 LEU 52 1.600 -6.750 -2.477 372 H ARG 53 H ARG 53 2.943 -7.173 2.386 373 HA ARG 53 HA ARG 53 2.898 -9.962 2.438 374 1HB ARG 53 2HB ARG 53 4.225 -8.434 3.937 375 2HB ARG 53 1HB ARG 53 2.747 -8.153 4.849 376 1HG ARG 53 2HG ARG 53 2.614 -10.567 5.318 377 2HG ARG 53 1HG ARG 53 4.149 -10.787 4.475 378 1HD ARG 53 2HD ARG 53 3.608 -9.335 7.045 379 2HD ARG 53 1HD ARG 53 4.717 -10.673 6.750 380 HE ARG 53 HE ARG 53 5.717 -8.719 5.187 381 1HH1 ARG 53 1HH1 ARG 53 4.793 -8.812 8.551 382 2HH1 ARG 53 2HH1 ARG 53 5.951 -7.618 9.030 383 1HH2 ARG 53 1HH2 ARG 53 7.238 -7.147 5.814 384 2HH2 ARG 53 2HH2 ARG 53 7.340 -6.671 7.477 385 H THR 54 H THR 54 0.653 -7.647 3.942 386 HA THR 54 HA THR 54 -1.148 -9.735 4.769 387 HB THR 54 HB THR 54 -1.706 -6.772 4.716 388 HG1 THR 54 1HG THR 54 -0.498 -8.209 6.836 389 1HG2 THR 54 1HG2 THR 54 -3.662 -7.593 5.474 390 2HG2 THR 54 2HG2 THR 54 -2.776 -7.640 6.997 391 3HG2 THR 54 3HG2 THR 54 -2.943 -9.105 6.030 392 H CYS 55 H CYS 55 -1.516 -6.946 2.580 393 HA CYS 55 HA CYS 55 -3.947 -7.923 1.484 394 1HB CYS 55 2HB CYS 55 -2.129 -5.620 0.870 395 2HB CYS 55 1HB CYS 55 -3.414 -6.045 -0.254 396 H GLY 56 H GLY 56 -0.607 -7.805 0.262 397 1HA GLY 56 2HA GLY 56 -1.198 -8.791 -2.314 398 2HA GLY 56 1HA GLY 56 0.375 -8.855 -1.533 399 H GLY 57 H GLY 57 -0.784 -10.852 -3.236 400 1HA GLY 57 2HA GLY 57 -0.260 -13.153 -1.640 401 2HA GLY 57 1HA GLY 57 -1.979 -12.999 -1.971 402 H ALA 58 H ALA 58 -2.481 -12.573 -4.366 403 HA ALA 58 HA ALA 58 -2.617 -13.588 -6.411 404 1HB ALA 58 1HB ALA 58 -0.131 -13.583 -7.459 405 2HB ALA 58 2HB ALA 58 0.077 -12.442 -6.130 406 3HB ALA 58 3HB ALA 58 -1.161 -12.156 -7.354 Start of MODEL 5 1 1H ARG 1 1HT ARG 1 -6.487 -13.426 -0.622 2 2H ARG 1 2HT ARG 1 -8.148 -13.032 -0.804 3 3H ARG 1 3HT ARG 1 -7.518 -13.403 0.748 4 HA ARG 1 HA ARG 1 -6.017 -11.469 0.464 5 1HB ARG 1 2HB ARG 1 -6.689 -9.823 -1.195 6 2HB ARG 1 1HB ARG 1 -6.318 -11.350 -1.983 7 1HG ARG 1 2HG ARG 1 -8.571 -11.810 -2.411 8 2HG ARG 1 1HG ARG 1 -9.126 -10.599 -1.254 9 1HD ARG 1 2HD ARG 1 -9.465 -9.704 -3.431 10 2HD ARG 1 1HD ARG 1 -8.094 -8.855 -2.721 11 HE ARG 1 HE ARG 1 -6.726 -9.768 -4.322 12 1HH1 ARG 1 1HH1 ARG 1 -9.814 -11.397 -4.381 13 2HH1 ARG 1 2HH1 ARG 1 -9.474 -12.250 -5.849 14 1HH2 ARG 1 1HH2 ARG 1 -6.282 -10.882 -6.253 15 2HH2 ARG 1 2HH2 ARG 1 -7.468 -11.957 -6.913 16 HA PRO 2 HA PRO 2 -8.998 -9.989 3.391 17 1HB PRO 2 2HB PRO 2 -7.547 -7.447 3.484 18 2HB PRO 2 1HB PRO 2 -7.738 -8.677 4.740 19 1HG PRO 2 2HG PRO 2 -5.382 -8.237 3.489 20 2HG PRO 2 1HG PRO 2 -5.872 -9.836 4.077 21 1HD PRO 2 2HD PRO 2 -5.927 -8.742 1.294 22 2HD PRO 2 1HD PRO 2 -5.480 -10.365 1.862 23 H ASP 3 H ASP 3 -10.921 -9.085 3.174 24 HA ASP 3 HA ASP 3 -11.925 -7.983 0.890 25 1HB ASP 3 2HB ASP 3 -12.801 -8.236 3.649 26 2HB ASP 3 1HB ASP 3 -13.464 -6.797 2.882 27 H PHE 4 H PHE 4 -11.097 -6.047 3.779 28 HA PHE 4 HA PHE 4 -11.654 -3.568 2.753 29 1HB PHE 4 2HB PHE 4 -9.840 -2.740 4.334 30 2HB PHE 4 1HB PHE 4 -11.159 -3.673 5.043 31 HD1 PHE 4 1HD PHE 4 -10.723 -5.645 6.228 32 HD2 PHE 4 2HD PHE 4 -7.656 -3.860 3.883 33 HE1 PHE 4 1HE PHE 4 -9.075 -7.180 7.222 34 HE2 PHE 4 2HE PHE 4 -6.004 -5.393 4.870 35 HZ PHE 4 HZ PHE 4 -6.713 -7.053 6.540 36 H CYS 5 H CYS 5 -8.906 -5.570 1.985 37 HA CYS 5 HA CYS 5 -7.151 -3.601 1.038 38 1HB CYS 5 2HB CYS 5 -7.478 -6.453 0.110 39 2HB CYS 5 1HB CYS 5 -6.148 -5.390 -0.333 40 H LEU 6 H LEU 6 -10.102 -4.769 -0.182 41 HA LEU 6 HA LEU 6 -9.647 -3.998 -2.930 42 1HB LEU 6 2HB LEU 6 -12.313 -4.562 -1.648 43 2HB LEU 6 1HB LEU 6 -11.874 -4.707 -3.338 44 HG LEU 6 HG LEU 6 -10.784 -6.480 -1.149 45 1HD1 LEU 6 1HD1 LEU 6 -12.686 -7.487 -3.185 46 2HD1 LEU 6 2HD1 LEU 6 -13.342 -6.524 -1.861 47 3HD1 LEU 6 3HD1 LEU 6 -12.432 -7.993 -1.515 48 1HD2 LEU 6 1HD2 LEU 6 -10.758 -7.445 -3.895 49 2HD2 LEU 6 2HD2 LEU 6 -9.467 -7.412 -2.694 50 3HD2 LEU 6 3HD2 LEU 6 -9.793 -5.984 -3.675 51 H GLU 7 H GLU 7 -10.271 -2.332 -0.112 52 HA GLU 7 HA GLU 7 -12.107 -0.373 -1.041 53 1HB GLU 7 2HB GLU 7 -10.112 -0.193 1.219 54 2HB GLU 7 1HB GLU 7 -11.456 0.905 0.947 55 1HG GLU 7 2HG GLU 7 -11.932 -2.021 1.312 56 2HG GLU 7 1HG GLU 7 -11.701 -0.958 2.699 57 HA PRO 8 HA PRO 8 -9.116 1.808 -3.561 58 1HB PRO 8 2HB PRO 8 -11.263 3.723 -4.059 59 2HB PRO 8 1HB PRO 8 -10.456 2.638 -5.193 60 1HG PRO 8 2HG PRO 8 -13.026 2.293 -4.420 61 2HG PRO 8 1HG PRO 8 -11.961 0.942 -4.847 62 1HD PRO 8 2HD PRO 8 -12.759 1.945 -2.140 63 2HD PRO 8 1HD PRO 8 -12.582 0.274 -2.720 64 HA PRO 9 HA PRO 9 -8.026 5.121 -0.813 65 1HB PRO 9 2HB PRO 9 -6.219 6.259 -2.725 66 2HB PRO 9 1HB PRO 9 -5.838 5.209 -1.360 67 1HG PRO 9 2HG PRO 9 -5.573 4.504 -4.019 68 2HG PRO 9 1HG PRO 9 -5.713 3.358 -2.675 69 1HD PRO 9 2HD PRO 9 -7.787 4.277 -4.616 70 2HD PRO 9 1HD PRO 9 -7.533 2.669 -3.899 71 H TYR 10 H TYR 10 -7.470 7.620 -1.090 72 HA TYR 10 HA TYR 10 -9.076 8.940 -3.101 73 1HB TYR 10 2HB TYR 10 -10.598 10.008 -1.598 74 2HB TYR 10 1HB TYR 10 -10.658 8.281 -1.270 75 HD1 TYR 10 1HD TYR 10 -8.655 7.634 0.551 76 HD2 TYR 10 2HD TYR 10 -10.810 11.293 0.297 77 HE1 TYR 10 1HE TYR 10 -8.200 8.060 2.927 78 HE2 TYR 10 2HE TYR 10 -10.359 11.730 2.674 79 HH TYR 10 HH TYR 10 -9.760 9.903 4.799 80 H ALA 11 H ALA 11 -8.897 11.306 -2.985 81 HA ALA 11 HA ALA 11 -6.563 12.244 -1.471 82 1HB ALA 11 1HB ALA 11 -5.558 13.256 -3.342 83 2HB ALA 11 2HB ALA 11 -6.988 13.010 -4.345 84 3HB ALA 11 3HB ALA 11 -5.996 11.631 -3.869 85 H GLY 12 H GLY 12 -7.395 13.728 -0.147 86 1HA GLY 12 2HA GLY 12 -8.302 16.205 -0.997 87 2HA GLY 12 1HA GLY 12 -9.739 15.232 -0.710 88 H ALA 13 H ALA 13 -8.576 17.635 0.666 89 HA ALA 13 HA ALA 13 -8.609 18.457 2.786 90 1HB ALA 13 1HB ALA 13 -10.363 16.409 2.936 91 2HB ALA 13 2HB ALA 13 -9.971 17.474 4.287 92 3HB ALA 13 3HB ALA 13 -9.175 15.907 4.138 93 H CYS 14 H CYS 14 -6.234 17.432 1.600 94 HA CYS 14 HA CYS 14 -4.554 17.375 3.914 95 1HB CYS 14 2HB CYS 14 -3.639 15.112 2.404 96 2HB CYS 14 1HB CYS 14 -4.070 15.198 4.105 97 H ARG 15 H ARG 15 -2.196 17.291 3.246 98 HA ARG 15 HA ARG 15 -1.625 17.813 0.476 99 1HB ARG 15 2HB ARG 15 -2.559 19.974 1.369 100 2HB ARG 15 1HB ARG 15 -1.145 20.067 2.410 101 1HG ARG 15 2HG ARG 15 -0.660 19.643 -0.475 102 2HG ARG 15 1HG ARG 15 -1.265 21.227 0.017 103 1HD ARG 15 2HD ARG 15 0.630 20.996 1.838 104 2HD ARG 15 1HD ARG 15 1.315 19.891 0.649 105 HE ARG 15 HE ARG 15 0.535 22.577 -0.211 106 1HH1 ARG 15 1HH1 ARG 15 3.075 20.280 0.492 107 2HH1 ARG 15 2HH1 ARG 15 4.291 21.191 -0.336 108 1HH2 ARG 15 1HH2 ARG 15 2.138 23.767 -1.294 109 2HH2 ARG 15 2HH2 ARG 15 3.762 23.168 -1.346 110 H ALA 16 H ALA 16 0.073 16.499 0.319 111 HA ALA 16 HA ALA 16 2.227 15.788 0.483 112 1HB ALA 16 1HB ALA 16 2.842 17.881 2.525 113 2HB ALA 16 2HB ALA 16 2.585 18.319 0.836 114 3HB ALA 16 3HB ALA 16 3.879 17.203 1.270 115 H ALA 17 H ALA 17 2.032 13.834 1.406 116 HA ALA 17 HA ALA 17 2.868 13.513 4.064 117 1HB ALA 17 1HB ALA 17 0.221 12.237 3.672 118 2HB ALA 17 2HB ALA 17 0.266 13.953 4.073 119 3HB ALA 17 3HB ALA 17 1.000 12.775 5.159 120 H ALA 18 H ALA 18 3.982 12.748 1.753 121 HA ALA 18 HA ALA 18 3.317 10.101 0.951 122 1HB ALA 18 1HB ALA 18 5.785 10.309 0.014 123 2HB ALA 18 2HB ALA 18 5.505 12.014 0.369 124 3HB ALA 18 3HB ALA 18 4.427 11.154 -0.730 125 H ALA 19 H ALA 19 3.261 8.830 2.814 126 HA ALA 19 HA ALA 19 5.775 7.654 3.526 127 1HB ALA 19 1HB ALA 19 5.781 8.124 5.870 128 2HB ALA 19 2HB ALA 19 4.249 8.991 5.751 129 3HB ALA 19 3HB ALA 19 5.700 9.659 5.004 130 H ARG 20 H ARG 20 2.974 7.062 2.522 131 HA ARG 20 HA ARG 20 2.609 4.651 4.108 132 1HB ARG 20 2HB ARG 20 0.365 6.611 3.570 133 2HB ARG 20 1HB ARG 20 0.163 5.005 4.274 134 1HG ARG 20 2HG ARG 20 1.498 5.659 6.190 135 2HG ARG 20 1HG ARG 20 1.741 7.260 5.490 136 1HD ARG 20 2HD ARG 20 -0.214 7.968 6.269 137 2HD ARG 20 1HD ARG 20 -1.057 6.592 5.558 138 HE ARG 20 HE ARG 20 -0.016 5.450 7.689 139 1HH1 ARG 20 1HH1 ARG 20 -1.625 8.537 7.392 140 2HH1 ARG 20 2HH1 ARG 20 -2.209 8.532 9.021 141 1HH2 ARG 20 1HH2 ARG 20 -0.780 5.451 9.842 142 2HH2 ARG 20 2HH2 ARG 20 -1.732 6.782 10.410 143 H TYR 21 H TYR 21 0.964 3.174 3.018 144 HA TYR 21 HA TYR 21 0.865 3.610 0.118 145 1HB TYR 21 2HB TYR 21 1.827 1.060 1.428 146 2HB TYR 21 1HB TYR 21 1.589 1.302 -0.300 147 HD1 TYR 21 1HD TYR 21 3.580 2.499 2.606 148 HD2 TYR 21 2HD TYR 21 3.312 2.187 -1.629 149 HE1 TYR 21 1HE TYR 21 5.900 3.287 2.403 150 HE2 TYR 21 2HE TYR 21 5.631 2.973 -1.839 151 HH TYR 21 HH TYR 21 7.255 4.270 -0.553 152 H PHE 22 H PHE 22 -0.483 1.780 -0.925 153 HA PHE 22 HA PHE 22 -2.621 0.774 0.790 154 1HB PHE 22 2HB PHE 22 -4.341 1.662 -0.818 155 2HB PHE 22 1HB PHE 22 -3.583 2.866 0.204 156 HD1 PHE 22 1HD PHE 22 -3.706 1.465 -3.193 157 HD2 PHE 22 2HD PHE 22 -2.311 4.644 -0.737 158 HE1 PHE 22 1HE PHE 22 -3.099 2.744 -5.202 159 HE2 PHE 22 2HE PHE 22 -1.705 5.926 -2.744 160 HZ PHE 22 HZ PHE 22 -2.095 4.979 -4.978 161 H TYR 23 H TYR 23 -3.918 -0.856 -0.246 162 HA TYR 23 HA TYR 23 -2.368 -2.317 -2.244 163 1HB TYR 23 2HB TYR 23 -3.268 -3.565 -0.341 164 2HB TYR 23 1HB TYR 23 -4.915 -3.119 -0.807 165 HD1 TYR 23 1HD TYR 23 -6.103 -4.461 -2.327 166 HD2 TYR 23 2HD TYR 23 -1.890 -4.923 -2.004 167 HE1 TYR 23 1HE TYR 23 -6.218 -6.433 -3.787 168 HE2 TYR 23 2HE TYR 23 -1.989 -6.899 -3.462 169 HH TYR 23 HH TYR 23 -3.409 -8.456 -4.371 170 H ASN 24 H ASN 24 -2.992 -2.757 -4.296 171 HA ASN 24 HA ASN 24 -5.408 -1.374 -5.276 172 1HB ASN 24 2HB ASN 24 -3.317 -0.370 -6.102 173 2HB ASN 24 1HB ASN 24 -2.818 -1.935 -6.748 174 1HD2 ASN 24 1HD2 ASN 24 -3.309 0.649 -8.046 175 2HD2 ASN 24 2HD2 ASN 24 -4.461 0.311 -9.297 176 H ALA 25 H ALA 25 -6.781 -3.159 -5.044 177 HA ALA 25 HA ALA 25 -6.282 -5.784 -5.767 178 1HB ALA 25 1HB ALA 25 -8.491 -6.150 -5.408 179 2HB ALA 25 2HB ALA 25 -8.993 -4.750 -6.354 180 3HB ALA 25 3HB ALA 25 -8.395 -4.533 -4.709 181 H LYS 26 H LYS 26 -7.004 -3.029 -7.777 182 HA LYS 26 HA LYS 26 -7.564 -4.567 -10.143 183 1HB LYS 26 2HB LYS 26 -8.399 -2.200 -9.564 184 2HB LYS 26 1HB LYS 26 -6.815 -1.655 -10.095 185 1HG LYS 26 2HG LYS 26 -7.231 -2.116 -12.286 186 2HG LYS 26 1HG LYS 26 -8.353 -3.427 -11.911 187 1HD LYS 26 2HD LYS 26 -9.839 -1.509 -10.956 188 2HD LYS 26 1HD LYS 26 -8.834 -0.475 -11.974 189 1HE LYS 26 2HE LYS 26 -9.761 -1.236 -13.880 190 2HE LYS 26 1HE LYS 26 -9.857 -2.895 -13.288 191 1HZ LYS 26 1HZ LYS 26 -12.049 -1.924 -13.649 192 2HZ LYS 26 2HZ LYS 26 -11.711 -0.700 -12.533 193 3HZ LYS 26 3HZ LYS 26 -11.813 -2.307 -12.018 194 H ALA 27 H ALA 27 -4.739 -4.038 -8.500 195 HA ALA 27 HA ALA 27 -3.170 -4.448 -10.949 196 1HB ALA 27 1HB ALA 27 -3.176 -2.034 -9.788 197 2HB ALA 27 2HB ALA 27 -1.780 -2.702 -10.634 198 3HB ALA 27 3HB ALA 27 -1.875 -2.801 -8.876 199 H GLY 28 H GLY 28 -3.963 -5.637 -7.968 200 1HA GLY 28 2HA GLY 28 -3.149 -7.377 -6.753 201 2HA GLY 28 1HA GLY 28 -2.008 -7.623 -8.049 202 H LEU 29 H LEU 29 -1.318 -4.588 -7.281 203 HA LEU 29 HA LEU 29 0.462 -5.326 -5.060 204 1HB LEU 29 2HB LEU 29 1.095 -4.251 -7.706 205 2HB LEU 29 1HB LEU 29 1.814 -3.334 -6.396 206 HG LEU 29 HG LEU 29 2.245 -6.118 -5.897 207 1HD1 LEU 29 1HD1 LEU 29 3.878 -6.202 -8.003 208 2HD1 LEU 29 2HD1 LEU 29 2.565 -5.261 -8.711 209 3HD1 LEU 29 3HD1 LEU 29 2.242 -6.859 -8.037 210 1HD2 LEU 29 1HD2 LEU 29 3.567 -4.149 -5.105 211 2HD2 LEU 29 2HD2 LEU 29 4.224 -4.006 -6.736 212 3HD2 LEU 29 3HD2 LEU 29 4.534 -5.459 -5.784 213 H CYS 30 H CYS 30 1.514 -3.178 -4.160 214 HA CYS 30 HA CYS 30 -0.749 -1.456 -3.491 215 1HB CYS 30 2HB CYS 30 1.913 -1.265 -2.136 216 2HB CYS 30 1HB CYS 30 0.315 -0.907 -1.502 217 H GLN 31 H GLN 31 -0.103 0.852 -2.971 218 HA GLN 31 HA GLN 31 1.888 1.957 -4.779 219 1HB GLN 31 2HB GLN 31 -1.001 2.078 -5.243 220 2HB GLN 31 1HB GLN 31 -0.232 3.658 -5.247 221 1HG GLN 31 2HG GLN 31 0.318 3.292 -7.353 222 2HG GLN 31 1HG GLN 31 1.436 2.052 -6.787 223 1HE2 GLN 31 1HE2 GLN 31 -1.070 2.653 -8.827 224 2HE2 GLN 31 2HE2 GLN 31 -1.647 1.042 -9.061 225 H THR 32 H THR 32 2.698 3.934 -4.114 226 HA THR 32 HA THR 32 2.171 4.650 -1.390 227 HB THR 32 HB THR 32 4.421 4.767 -2.711 228 HG1 THR 32 1HG THR 32 4.164 5.445 -0.552 229 1HG2 THR 32 1HG2 THR 32 4.994 6.987 -3.515 230 2HG2 THR 32 2HG2 THR 32 3.325 7.510 -3.294 231 3HG2 THR 32 3HG2 THR 32 3.710 6.270 -4.487 232 H PHE 33 H PHE 33 1.085 6.352 -0.575 233 HA PHE 33 HA PHE 33 -1.064 7.423 -1.949 234 1HB PHE 33 2HB PHE 33 0.373 8.256 0.553 235 2HB PHE 33 1HB PHE 33 -0.962 9.219 -0.071 236 HD1 PHE 33 1HD PHE 33 0.004 6.167 1.598 237 HD2 PHE 33 2HD PHE 33 -3.229 8.235 -0.236 238 HE1 PHE 33 1HE PHE 33 -1.579 4.606 2.650 239 HE2 PHE 33 2HE PHE 33 -4.822 6.680 0.821 240 HZ PHE 33 HZ PHE 33 -3.994 4.864 2.265 241 H ALA 34 H ALA 34 -1.270 8.925 -3.456 242 HA ALA 34 HA ALA 34 0.981 10.406 -4.404 243 1HB ALA 34 1HB ALA 34 -0.257 10.815 -6.257 244 2HB ALA 34 2HB ALA 34 -1.736 11.110 -5.342 245 3HB ALA 34 3HB ALA 34 -1.188 9.457 -5.625 246 H TYR 35 H TYR 35 0.109 12.817 -5.172 247 HA TYR 35 HA TYR 35 0.582 14.480 -3.030 248 1HB TYR 35 2HB TYR 35 0.500 14.959 -5.599 249 2HB TYR 35 1HB TYR 35 -1.172 15.417 -5.281 250 HD1 TYR 35 1HD TYR 35 2.329 16.330 -4.858 251 HD2 TYR 35 2HD TYR 35 -1.675 17.347 -3.840 252 HE1 TYR 35 1HE TYR 35 3.088 18.548 -4.114 253 HE2 TYR 35 2HE TYR 35 -0.927 19.569 -3.095 254 HH TYR 35 HH TYR 35 1.117 20.659 -2.313 255 H GLY 36 H GLY 36 -0.638 15.658 -1.621 256 1HA GLY 36 2HA GLY 36 -2.288 15.964 -0.105 257 2HA GLY 36 1HA GLY 36 -3.222 16.260 -1.543 258 H ALA 37 H ALA 37 -2.047 13.030 -1.211 259 HA ALA 37 HA ALA 37 -4.699 12.005 -1.035 260 1HB ALA 37 1HB ALA 37 -2.469 10.200 -0.365 261 2HB ALA 37 2HB ALA 37 -2.392 10.970 -1.949 262 3HB ALA 37 3HB ALA 37 -3.792 9.993 -1.511 263 H CYS 38 H CYS 38 -4.915 10.060 0.714 264 HA CYS 38 HA CYS 38 -3.928 10.832 3.318 265 1HB CYS 38 2HB CYS 38 -6.620 11.553 2.412 266 2HB CYS 38 1HB CYS 38 -6.600 10.660 3.930 267 H ALA 39 H ALA 39 -4.293 9.284 4.934 268 HA ALA 39 HA ALA 39 -4.383 6.593 3.994 269 1HB ALA 39 1HB ALA 39 -4.461 7.569 6.846 270 2HB ALA 39 2HB ALA 39 -2.989 7.356 5.900 271 3HB ALA 39 3HB ALA 39 -3.999 5.962 6.283 272 H ALA 40 H ALA 40 -5.968 5.065 4.169 273 HA ALA 40 HA ALA 40 -8.649 6.063 4.736 274 1HB ALA 40 1HB ALA 40 -8.944 4.916 2.825 275 2HB ALA 40 2HB ALA 40 -9.035 3.515 3.893 276 3HB ALA 40 3HB ALA 40 -7.518 3.911 3.087 277 H LYS 41 H LYS 41 -10.057 3.951 5.542 278 HA LYS 41 HA LYS 41 -9.523 3.773 8.283 279 1HB LYS 41 2HB LYS 41 -11.557 2.874 6.480 280 2HB LYS 41 1HB LYS 41 -11.112 1.536 7.530 281 1HG LYS 41 2HG LYS 41 -11.358 3.882 9.120 282 2HG LYS 41 1HG LYS 41 -12.788 3.737 8.097 283 1HD LYS 41 2HD LYS 41 -11.919 1.224 9.338 284 2HD LYS 41 1HD LYS 41 -12.441 2.462 10.481 285 1HE LYS 41 2HE LYS 41 -14.562 2.001 10.015 286 2HE LYS 41 1HE LYS 41 -14.288 2.428 8.326 287 1HZ LYS 41 1HZ LYS 41 -13.320 0.042 8.206 288 2HZ LYS 41 2HZ LYS 41 -14.997 0.264 8.171 289 3HZ LYS 41 3HZ LYS 41 -14.239 -0.221 9.601 290 H ARG 42 H ARG 42 -9.760 0.831 6.305 291 HA ARG 42 HA ARG 42 -7.689 -0.373 7.927 292 1HB ARG 42 2HB ARG 42 -9.079 -1.738 5.647 293 2HB ARG 42 1HB ARG 42 -8.352 -2.456 7.073 294 1HG ARG 42 2HG ARG 42 -10.639 -0.624 7.503 295 2HG ARG 42 1HG ARG 42 -10.975 -2.200 6.779 296 1HD ARG 42 2HD ARG 42 -9.422 -3.033 8.745 297 2HD ARG 42 1HD ARG 42 -9.952 -1.530 9.493 298 HE ARG 42 HE ARG 42 -11.624 -3.832 8.815 299 1HH1 ARG 42 1HH1 ARG 42 -11.384 -0.613 10.158 300 2HH1 ARG 42 2HH1 ARG 42 -12.908 -0.709 10.972 301 1HH2 ARG 42 1HH2 ARG 42 -13.631 -3.945 9.879 302 2HH2 ARG 42 2HH2 ARG 42 -14.184 -2.594 10.811 303 H ASN 43 H ASN 43 -8.176 0.709 4.618 304 HA ASN 43 HA ASN 43 -5.814 -0.480 3.579 305 1HB ASN 43 2HB ASN 43 -8.086 0.771 2.568 306 2HB ASN 43 1HB ASN 43 -6.781 1.884 2.165 307 1HD2 ASN 43 1HD2 ASN 43 -7.893 -1.367 1.978 308 2HD2 ASN 43 2HD2 ASN 43 -7.043 -1.810 0.525 309 H ASN 44 H ASN 44 -4.455 0.337 5.432 310 HA ASN 44 HA ASN 44 -3.015 2.683 4.548 311 1HB ASN 44 2HB ASN 44 -3.158 3.836 6.728 312 2HB ASN 44 1HB ASN 44 -4.731 3.704 5.947 313 1HD2 ASN 44 1HD2 ASN 44 -4.532 4.215 8.623 314 2HD2 ASN 44 2HD2 ASN 44 -5.085 2.848 9.523 315 H PHE 45 H PHE 45 -1.215 1.340 4.290 316 HA PHE 45 HA PHE 45 -0.182 0.081 6.735 317 1HB PHE 45 2HB PHE 45 0.507 -0.415 3.825 318 2HB PHE 45 1HB PHE 45 1.243 -1.239 5.199 319 HD1 PHE 45 1HD PHE 45 -0.095 -2.784 6.581 320 HD2 PHE 45 2HD PHE 45 -1.658 -1.012 3.042 321 HE1 PHE 45 1HE PHE 45 -1.909 -4.443 6.556 322 HE2 PHE 45 2HE PHE 45 -3.475 -2.668 3.009 323 HZ PHE 45 HZ PHE 45 -3.604 -4.388 4.768 324 H LYS 46 H LYS 46 1.632 0.858 7.650 325 HA LYS 46 HA LYS 46 2.672 3.354 6.906 326 1HB LYS 46 2HB LYS 46 4.493 2.804 8.576 327 2HB LYS 46 1HB LYS 46 2.843 2.734 9.181 328 1HG LYS 46 2HG LYS 46 3.815 0.183 8.150 329 2HG LYS 46 1HG LYS 46 4.749 0.805 9.512 330 1HD LYS 46 2HD LYS 46 1.810 0.958 9.767 331 2HD LYS 46 1HD LYS 46 2.508 -0.661 9.787 332 1HE LYS 46 2HE LYS 46 3.118 1.639 11.632 333 2HE LYS 46 1HE LYS 46 2.386 0.089 12.043 334 1HZ LYS 46 1HZ LYS 46 5.169 0.784 11.711 335 2HZ LYS 46 2HZ LYS 46 4.727 -0.663 10.959 336 3HZ LYS 46 3HZ LYS 46 4.464 -0.458 12.618 337 H SER 47 H SER 47 3.303 0.316 5.565 338 HA SER 47 HA SER 47 5.416 1.428 3.944 339 1HB SER 47 2HB SER 47 6.565 -1.009 4.610 340 2HB SER 47 1HB SER 47 7.095 0.579 5.167 341 HG SER 47 HG SER 47 5.796 -1.428 6.525 342 H ALA 48 H ALA 48 5.774 0.291 2.023 343 HA ALA 48 HA ALA 48 3.557 -1.086 0.981 344 1HB ALA 48 1HB ALA 48 5.803 -1.838 -0.550 345 2HB ALA 48 2HB ALA 48 6.113 -0.197 0.011 346 3HB ALA 48 3HB ALA 48 4.643 -0.556 -0.897 347 H GLU 49 H GLU 49 6.530 -2.169 2.493 348 HA GLU 49 HA GLU 49 6.289 -4.913 1.921 349 1HB GLU 49 2HB GLU 49 8.116 -3.357 3.269 350 2HB GLU 49 1HB GLU 49 7.367 -4.257 4.580 351 1HG GLU 49 2HG GLU 49 7.846 -6.182 2.664 352 2HG GLU 49 1HG GLU 49 9.256 -5.127 2.564 353 H ASP 50 H ASP 50 4.970 -2.806 4.397 354 HA ASP 50 HA ASP 50 3.736 -4.828 5.955 355 1HB ASP 50 2HB ASP 50 3.932 -1.969 5.996 356 2HB ASP 50 1HB ASP 50 2.239 -2.426 6.177 357 H CYS 51 H CYS 51 2.528 -2.711 3.321 358 HA CYS 51 HA CYS 51 -0.125 -3.651 3.347 359 1HB CYS 51 2HB CYS 51 0.257 -1.688 2.112 360 2HB CYS 51 1HB CYS 51 1.630 -2.385 1.250 361 H LEU 52 H LEU 52 2.585 -4.604 1.242 362 HA LEU 52 HA LEU 52 1.351 -6.646 -0.148 363 1HB LEU 52 2HB LEU 52 4.217 -6.302 0.714 364 2HB LEU 52 1HB LEU 52 3.695 -7.601 -0.340 365 HG LEU 52 HG LEU 52 3.526 -4.647 -0.924 366 1HD1 LEU 52 1HD1 LEU 52 4.991 -5.593 -2.896 367 2HD1 LEU 52 2HD1 LEU 52 5.371 -6.840 -1.710 368 3HD1 LEU 52 3HD1 LEU 52 5.712 -5.148 -1.350 369 1HD2 LEU 52 1HD2 LEU 52 1.601 -5.746 -1.872 370 2HD2 LEU 52 2HD2 LEU 52 2.616 -7.017 -2.552 371 3HD2 LEU 52 3HD2 LEU 52 2.745 -5.366 -3.156 372 H ARG 53 H ARG 53 3.001 -6.803 2.994 373 HA ARG 53 HA ARG 53 2.910 -9.583 3.315 374 1HB ARG 53 2HB ARG 53 3.595 -7.318 4.915 375 2HB ARG 53 1HB ARG 53 2.547 -8.361 5.864 376 1HG ARG 53 2HG ARG 53 4.033 -10.237 5.495 377 2HG ARG 53 1HG ARG 53 5.060 -9.242 4.461 378 1HD ARG 53 2HD ARG 53 5.962 -9.473 6.741 379 2HD ARG 53 1HD ARG 53 5.600 -7.799 6.319 380 HE ARG 53 HE ARG 53 3.531 -9.243 7.758 381 1HH1 ARG 53 1HH1 ARG 53 6.229 -7.028 7.935 382 2HH1 ARG 53 2HH1 ARG 53 5.745 -6.370 9.460 383 1HH2 ARG 53 1HH2 ARG 53 2.902 -8.379 9.765 384 2HH2 ARG 53 2HH2 ARG 53 3.859 -7.136 10.501 385 H THR 54 H THR 54 0.629 -7.109 4.485 386 HA THR 54 HA THR 54 -1.225 -9.083 5.438 387 HB THR 54 HB THR 54 -1.625 -6.108 5.069 388 HG1 THR 54 1HG THR 54 -1.100 -6.076 7.324 389 1HG2 THR 54 1HG2 THR 54 -3.030 -7.949 6.982 390 2HG2 THR 54 2HG2 THR 54 -3.701 -7.459 5.425 391 3HG2 THR 54 3HG2 THR 54 -3.369 -6.248 6.665 392 H CYS 55 H CYS 55 -1.490 -6.570 2.915 393 HA CYS 55 HA CYS 55 -3.865 -7.738 1.859 394 1HB CYS 55 2HB CYS 55 -2.122 -5.429 1.055 395 2HB CYS 55 1HB CYS 55 -3.383 -6.012 -0.026 396 H GLY 56 H GLY 56 -0.475 -7.670 0.815 397 1HA GLY 56 2HA GLY 56 -0.959 -8.943 -1.683 398 2HA GLY 56 1HA GLY 56 0.601 -8.810 -0.883 399 H GLY 57 H GLY 57 1.033 -10.379 0.876 400 1HA GLY 57 2HA GLY 57 0.797 -13.000 0.072 401 2HA GLY 57 1HA GLY 57 1.085 -12.512 1.734 402 H ALA 58 H ALA 58 -0.772 -14.454 0.009 403 HA ALA 58 HA ALA 58 -2.791 -14.633 2.029 404 1HB ALA 58 1HB ALA 58 -4.722 -14.151 0.699 405 2HB ALA 58 2HB ALA 58 -3.729 -13.888 -0.734 406 3HB ALA 58 3HB ALA 58 -3.637 -12.763 0.621 Start of MODEL 6 1 1H ARG 1 1HT ARG 1 -8.916 -11.551 -0.682 2 2H ARG 1 2HT ARG 1 -7.769 -12.516 0.154 3 3H ARG 1 3HT ARG 1 -7.397 -11.888 -1.399 4 HA ARG 1 HA ARG 1 -6.390 -10.757 0.568 5 1HB ARG 1 2HB ARG 1 -6.614 -8.602 -0.529 6 2HB ARG 1 1HB ARG 1 -6.496 -9.873 -1.738 7 1HG ARG 1 2HG ARG 1 -9.243 -9.260 -0.993 8 2HG ARG 1 1HG ARG 1 -8.377 -7.880 -1.670 9 1HD ARG 1 2HD ARG 1 -8.852 -8.725 -3.677 10 2HD ARG 1 1HD ARG 1 -7.667 -9.981 -3.323 11 HE ARG 1 HE ARG 1 -10.269 -10.578 -2.289 12 1HH1 ARG 1 1HH1 ARG 1 -8.249 -10.709 -5.132 13 2HH1 ARG 1 2HH1 ARG 1 -9.131 -12.015 -5.851 14 1HH2 ARG 1 1HH2 ARG 1 -11.430 -12.294 -3.234 15 2HH2 ARG 1 2HH2 ARG 1 -10.937 -12.914 -4.774 16 HA PRO 2 HA PRO 2 -9.027 -9.506 3.862 17 1HB PRO 2 2HB PRO 2 -7.454 -7.022 4.108 18 2HB PRO 2 1HB PRO 2 -7.694 -8.326 5.280 19 1HG PRO 2 2HG PRO 2 -5.351 -7.981 4.007 20 2HG PRO 2 1HG PRO 2 -5.966 -9.590 4.432 21 1HD PRO 2 2HD PRO 2 -5.949 -8.203 1.785 22 2HD PRO 2 1HD PRO 2 -5.688 -9.919 2.167 23 H ASP 3 H ASP 3 -10.883 -8.420 4.079 24 HA ASP 3 HA ASP 3 -12.153 -7.140 2.052 25 1HB ASP 3 2HB ASP 3 -12.728 -7.717 4.719 26 2HB ASP 3 1HB ASP 3 -12.973 -5.978 4.586 27 H PHE 4 H PHE 4 -10.801 -5.353 4.835 28 HA PHE 4 HA PHE 4 -11.226 -2.805 3.895 29 1HB PHE 4 2HB PHE 4 -9.212 -2.177 5.319 30 2HB PHE 4 1HB PHE 4 -10.533 -3.017 6.131 31 HD1 PHE 4 1HD PHE 4 -7.117 -3.336 4.820 32 HD2 PHE 4 2HD PHE 4 -10.223 -5.186 7.060 33 HE1 PHE 4 1HE PHE 4 -5.523 -5.030 5.621 34 HE2 PHE 4 2HE PHE 4 -8.636 -6.883 7.864 35 HZ PHE 4 HZ PHE 4 -6.283 -6.806 7.145 36 H CYS 5 H CYS 5 -8.689 -5.027 2.934 37 HA CYS 5 HA CYS 5 -6.926 -3.155 1.797 38 1HB CYS 5 2HB CYS 5 -7.401 -6.040 1.057 39 2HB CYS 5 1HB CYS 5 -6.074 -5.052 0.461 40 H LEU 6 H LEU 6 -10.008 -4.205 0.849 41 HA LEU 6 HA LEU 6 -9.698 -3.612 -1.963 42 1HB LEU 6 2HB LEU 6 -12.300 -3.911 -0.481 43 2HB LEU 6 1HB LEU 6 -11.995 -4.163 -2.188 44 HG LEU 6 HG LEU 6 -10.827 -5.905 -0.022 45 1HD1 LEU 6 1HD1 LEU 6 -13.374 -5.873 -0.188 46 2HD1 LEU 6 2HD1 LEU 6 -12.567 -7.436 -0.314 47 3HD1 LEU 6 3HD1 LEU 6 -13.155 -6.628 -1.767 48 1HD2 LEU 6 1HD2 LEU 6 -10.809 -7.448 -2.151 49 2HD2 LEU 6 2HD2 LEU 6 -9.513 -6.285 -1.864 50 3HD2 LEU 6 3HD2 LEU 6 -10.806 -5.903 -3.001 51 H GLU 7 H GLU 7 -10.161 -1.789 0.841 52 HA GLU 7 HA GLU 7 -11.822 0.271 -0.215 53 1HB GLU 7 2HB GLU 7 -9.890 0.400 2.108 54 2HB GLU 7 1HB GLU 7 -11.189 1.537 1.772 55 1HG GLU 7 2HG GLU 7 -11.737 -1.371 2.231 56 2HG GLU 7 1HG GLU 7 -11.574 -0.233 3.568 57 HA PRO 8 HA PRO 8 -8.425 2.106 -2.521 58 1HB PRO 8 2HB PRO 8 -9.879 3.636 -4.149 59 2HB PRO 8 1HB PRO 8 -9.861 1.877 -4.335 60 1HG PRO 8 2HG PRO 8 -11.914 3.624 -3.039 61 2HG PRO 8 1HG PRO 8 -12.148 2.239 -4.121 62 1HD PRO 8 2HD PRO 8 -12.337 2.117 -1.371 63 2HD PRO 8 1HD PRO 8 -11.964 0.728 -2.412 64 HA PRO 9 HA PRO 9 -8.243 6.022 -0.399 65 1HB PRO 9 2HB PRO 9 -5.785 6.752 -1.202 66 2HB PRO 9 1HB PRO 9 -6.044 5.396 -0.101 67 1HG PRO 9 2HG PRO 9 -5.231 5.380 -2.929 68 2HG PRO 9 1HG PRO 9 -5.015 4.142 -1.686 69 1HD PRO 9 2HD PRO 9 -7.032 4.279 -3.743 70 2HD PRO 9 1HD PRO 9 -6.757 3.000 -2.538 71 H TYR 10 H TYR 10 -8.606 8.161 -0.764 72 HA TYR 10 HA TYR 10 -9.164 8.953 -3.505 73 1HB TYR 10 2HB TYR 10 -10.079 11.035 -2.416 74 2HB TYR 10 1HB TYR 10 -10.876 9.536 -1.953 75 HD1 TYR 10 1HD TYR 10 -9.078 12.432 -0.805 76 HD2 TYR 10 2HD TYR 10 -10.332 8.519 0.297 77 HE1 TYR 10 1HE TYR 10 -8.726 12.990 1.561 78 HE2 TYR 10 2HE TYR 10 -9.977 9.066 2.667 79 HH TYR 10 HH TYR 10 -8.235 11.694 3.709 80 H ALA 11 H ALA 11 -8.153 10.601 -4.607 81 HA ALA 11 HA ALA 11 -5.686 11.649 -3.373 82 1HB ALA 11 1HB ALA 11 -6.200 10.456 -6.027 83 2HB ALA 11 2HB ALA 11 -4.753 10.411 -5.021 84 3HB ALA 11 3HB ALA 11 -5.114 11.845 -5.980 85 H GLY 12 H GLY 12 -6.048 13.709 -2.828 86 1HA GLY 12 2HA GLY 12 -6.016 15.955 -3.936 87 2HA GLY 12 1HA GLY 12 -7.469 15.429 -4.773 88 H ALA 13 H ALA 13 -6.879 17.682 -2.870 89 HA ALA 13 HA ALA 13 -7.976 18.828 -1.242 90 1HB ALA 13 1HB ALA 13 -10.348 18.165 -0.792 91 2HB ALA 13 2HB ALA 13 -10.106 16.793 -1.874 92 3HB ALA 13 3HB ALA 13 -9.969 18.438 -2.493 93 H CYS 14 H CYS 14 -6.075 17.190 -0.269 94 HA CYS 14 HA CYS 14 -6.994 16.690 2.390 95 1HB CYS 14 2HB CYS 14 -7.661 14.621 0.985 96 2HB CYS 14 1HB CYS 14 -5.939 14.256 0.975 97 H ARG 15 H ARG 15 -5.208 15.840 3.789 98 HA ARG 15 HA ARG 15 -2.521 15.944 2.776 99 1HB ARG 15 2HB ARG 15 -3.059 18.347 2.946 100 2HB ARG 15 1HB ARG 15 -3.460 18.129 4.644 101 1HG ARG 15 2HG ARG 15 -1.027 17.189 4.793 102 2HG ARG 15 1HG ARG 15 -0.800 18.115 3.308 103 1HD ARG 15 2HD ARG 15 -2.159 19.848 4.995 104 2HD ARG 15 1HD ARG 15 -1.012 19.026 6.053 105 HE ARG 15 HE ARG 15 0.419 19.776 3.820 106 1HH1 ARG 15 1HH1 ARG 15 -1.432 21.389 6.301 107 2HH1 ARG 15 2HH1 ARG 15 -0.495 22.843 6.229 108 1HH2 ARG 15 1HH2 ARG 15 1.651 21.687 3.724 109 2HH2 ARG 15 2HH2 ARG 15 1.255 23.013 4.765 110 H ALA 16 H ALA 16 -2.646 13.816 3.745 111 HA ALA 16 HA ALA 16 -1.647 13.796 6.416 112 1HB ALA 16 1HB ALA 16 -3.932 12.057 6.555 113 2HB ALA 16 2HB ALA 16 -4.434 13.710 6.198 114 3HB ALA 16 3HB ALA 16 -3.457 13.374 7.628 115 H ALA 17 H ALA 17 -0.780 11.802 7.039 116 HA ALA 17 HA ALA 17 0.116 9.727 6.793 117 1HB ALA 17 1HB ALA 17 -0.942 8.087 5.374 118 2HB ALA 17 2HB ALA 17 -1.843 9.350 4.536 119 3HB ALA 17 3HB ALA 17 -2.176 9.007 6.234 120 H ALA 18 H ALA 18 1.784 11.422 5.978 121 HA ALA 18 HA ALA 18 2.402 11.440 3.196 122 1HB ALA 18 1HB ALA 18 3.992 12.951 3.730 123 2HB ALA 18 2HB ALA 18 4.568 12.017 5.110 124 3HB ALA 18 3HB ALA 18 3.120 13.010 5.261 125 H ALA 19 H ALA 19 4.380 10.605 2.249 126 HA ALA 19 HA ALA 19 5.390 8.643 1.538 127 1HB ALA 19 1HB ALA 19 7.197 9.747 2.536 128 2HB ALA 19 2HB ALA 19 7.282 8.096 3.151 129 3HB ALA 19 3HB ALA 19 6.632 9.384 4.167 130 H ARG 20 H ARG 20 3.364 7.344 1.760 131 HA ARG 20 HA ARG 20 3.889 5.089 3.535 132 1HB ARG 20 2HB ARG 20 1.332 6.679 3.497 133 2HB ARG 20 1HB ARG 20 1.382 5.005 4.051 134 1HG ARG 20 2HG ARG 20 3.338 6.888 5.230 135 2HG ARG 20 1HG ARG 20 1.646 7.072 5.692 136 1HD ARG 20 2HD ARG 20 2.214 4.318 5.786 137 2HD ARG 20 1HD ARG 20 3.563 5.136 6.569 138 HE ARG 20 HE ARG 20 0.741 5.383 7.362 139 1HH1 ARG 20 1HH1 ARG 20 4.151 5.582 8.126 140 2HH1 ARG 20 2HH1 ARG 20 3.879 5.886 9.807 141 1HH2 ARG 20 1HH2 ARG 20 0.398 5.795 9.578 142 2HH2 ARG 20 2HH2 ARG 20 1.757 6.006 10.630 143 H TYR 21 H TYR 21 2.056 3.343 3.025 144 HA TYR 21 HA TYR 21 1.753 3.245 0.099 145 1HB TYR 21 2HB TYR 21 2.843 1.153 1.961 146 2HB TYR 21 1HB TYR 21 2.145 0.710 0.408 147 HD1 TYR 21 1HD TYR 21 4.815 2.762 1.980 148 HD2 TYR 21 2HD TYR 21 3.410 0.866 -1.558 149 HE1 TYR 21 1HE TYR 21 6.976 3.199 0.894 150 HE2 TYR 21 2HE TYR 21 5.567 1.297 -2.652 151 HH TYR 21 HH TYR 21 7.819 1.797 -2.156 152 H PHE 22 H PHE 22 0.079 1.906 -0.714 153 HA PHE 22 HA PHE 22 -1.930 0.917 1.174 154 1HB PHE 22 2HB PHE 22 -3.734 2.044 -0.167 155 2HB PHE 22 1HB PHE 22 -2.766 3.112 0.832 156 HD1 PHE 22 1HD PHE 22 -1.004 4.514 -0.230 157 HD2 PHE 22 2HD PHE 22 -3.795 2.260 -2.510 158 HE1 PHE 22 1HE PHE 22 -0.459 5.849 -2.217 159 HE2 PHE 22 2HE PHE 22 -3.254 3.595 -4.503 160 HZ PHE 22 HZ PHE 22 -1.578 5.394 -4.358 161 H TYR 23 H TYR 23 -3.398 -0.572 0.228 162 HA TYR 23 HA TYR 23 -2.221 -1.975 -2.033 163 1HB TYR 23 2HB TYR 23 -3.003 -3.256 -0.092 164 2HB TYR 23 1HB TYR 23 -4.656 -2.704 -0.387 165 HD1 TYR 23 1HD TYR 23 -1.845 -4.427 -2.150 166 HD2 TYR 23 2HD TYR 23 -6.050 -4.070 -1.640 167 HE1 TYR 23 1HE TYR 23 -2.189 -6.312 -3.689 168 HE2 TYR 23 2HE TYR 23 -6.406 -5.955 -3.173 169 HH TYR 23 HH TYR 23 -3.860 -7.983 -4.212 170 H ASN 24 H ASN 24 -3.075 -2.237 -4.015 171 HA ASN 24 HA ASN 24 -5.471 -0.647 -4.677 172 1HB ASN 24 2HB ASN 24 -3.439 0.215 -5.738 173 2HB ASN 24 1HB ASN 24 -3.097 -1.377 -6.415 174 1HD2 ASN 24 1HD2 ASN 24 -3.442 1.133 -7.771 175 2HD2 ASN 24 2HD2 ASN 24 -4.760 0.912 -8.876 176 H ALA 25 H ALA 25 -6.930 -2.350 -4.265 177 HA ALA 25 HA ALA 25 -6.750 -4.971 -5.135 178 1HB ALA 25 1HB ALA 25 -9.389 -3.571 -5.176 179 2HB ALA 25 2HB ALA 25 -8.523 -3.774 -3.653 180 3HB ALA 25 3HB ALA 25 -8.985 -5.188 -4.600 181 H LYS 26 H LYS 26 -7.417 -2.101 -6.956 182 HA LYS 26 HA LYS 26 -8.545 -3.467 -9.224 183 1HB LYS 26 2HB LYS 26 -8.052 -0.705 -8.414 184 2HB LYS 26 1HB LYS 26 -7.731 -0.981 -10.121 185 1HG LYS 26 2HG LYS 26 -10.012 -2.034 -10.266 186 2HG LYS 26 1HG LYS 26 -10.302 -1.433 -8.632 187 1HD LYS 26 2HD LYS 26 -11.095 0.380 -9.708 188 2HD LYS 26 1HD LYS 26 -9.389 0.811 -9.840 189 1HE LYS 26 2HE LYS 26 -10.259 1.056 -12.010 190 2HE LYS 26 1HE LYS 26 -9.389 -0.477 -12.029 191 1HZ LYS 26 1HZ LYS 26 -11.349 -1.681 -12.055 192 2HZ LYS 26 2HZ LYS 26 -11.719 -0.371 -13.058 193 3HZ LYS 26 3HZ LYS 26 -12.282 -0.401 -11.463 194 H ALA 27 H ALA 27 -5.429 -3.281 -8.046 195 HA ALA 27 HA ALA 27 -4.360 -3.944 -10.696 196 1HB ALA 27 1HB ALA 27 -3.038 -2.173 -10.849 197 2HB ALA 27 2HB ALA 27 -2.386 -2.453 -9.234 198 3HB ALA 27 3HB ALA 27 -3.856 -1.501 -9.438 199 H GLY 28 H GLY 28 -4.758 -4.946 -7.602 200 1HA GLY 28 2HA GLY 28 -3.915 -6.711 -6.443 201 2HA GLY 28 1HA GLY 28 -2.994 -7.083 -7.876 202 H LEU 29 H LEU 29 -1.994 -4.078 -7.266 203 HA LEU 29 HA LEU 29 0.083 -4.971 -5.379 204 1HB LEU 29 2HB LEU 29 0.306 -3.856 -8.054 205 2HB LEU 29 1HB LEU 29 1.218 -2.925 -6.882 206 HG LEU 29 HG LEU 29 2.269 -5.135 -6.161 207 1HD1 LEU 29 1HD1 LEU 29 2.282 -6.878 -7.927 208 2HD1 LEU 29 2HD1 LEU 29 0.997 -5.996 -8.752 209 3HD1 LEU 29 3HD1 LEU 29 0.713 -6.672 -7.148 210 1HD2 LEU 29 1HD2 LEU 29 3.969 -4.969 -7.802 211 2HD2 LEU 29 2HD2 LEU 29 3.318 -3.344 -7.592 212 3HD2 LEU 29 3HD2 LEU 29 2.852 -4.306 -8.994 213 H CYS 30 H CYS 30 1.341 -2.960 -4.511 214 HA CYS 30 HA CYS 30 -0.689 -1.085 -3.529 215 1HB CYS 30 2HB CYS 30 2.027 -1.226 -2.311 216 2HB CYS 30 1HB CYS 30 0.482 -0.859 -1.565 217 H GLN 31 H GLN 31 0.176 1.117 -2.987 218 HA GLN 31 HA GLN 31 2.268 2.062 -4.758 219 1HB GLN 31 2HB GLN 31 -0.621 2.780 -5.069 220 2HB GLN 31 1HB GLN 31 0.621 3.950 -5.484 221 1HG GLN 31 2HG GLN 31 1.569 2.406 -7.094 222 2HG GLN 31 1HG GLN 31 0.381 1.184 -6.644 223 1HE2 GLN 31 1HE2 GLN 31 -1.952 2.289 -6.634 224 2HE2 GLN 31 2HE2 GLN 31 -2.343 3.067 -8.126 225 H THR 32 H THR 32 2.940 4.242 -4.342 226 HA THR 32 HA THR 32 2.764 4.951 -1.547 227 HB THR 32 HB THR 32 4.876 5.111 -2.960 228 HG1 THR 32 1HG THR 32 4.086 7.521 -1.702 229 1HG2 THR 32 1HG2 THR 32 5.249 6.804 -4.458 230 2HG2 THR 32 2HG2 THR 32 3.913 7.783 -3.850 231 3HG2 THR 32 3HG2 THR 32 3.584 6.359 -4.837 232 H PHE 33 H PHE 33 1.935 6.890 -0.718 233 HA PHE 33 HA PHE 33 -0.452 7.779 -1.941 234 1HB PHE 33 2HB PHE 33 1.137 8.680 0.441 235 2HB PHE 33 1HB PHE 33 -0.252 9.615 -0.109 236 HD1 PHE 33 1HD PHE 33 0.848 6.789 1.749 237 HD2 PHE 33 2HD PHE 33 -2.481 8.408 -0.335 238 HE1 PHE 33 1HE PHE 33 -0.642 5.226 2.927 239 HE2 PHE 33 2HE PHE 33 -3.980 6.851 0.838 240 HZ PHE 33 HZ PHE 33 -3.059 5.255 2.471 241 H ALA 34 H ALA 34 -0.656 9.087 -3.605 242 HA ALA 34 HA ALA 34 1.484 10.701 -4.588 243 1HB ALA 34 1HB ALA 34 0.186 9.909 -6.310 244 2HB ALA 34 2HB ALA 34 -0.487 11.527 -6.119 245 3HB ALA 34 3HB ALA 34 -1.321 10.139 -5.424 246 H TYR 35 H TYR 35 0.438 13.025 -5.443 247 HA TYR 35 HA TYR 35 0.774 14.815 -3.432 248 1HB TYR 35 2HB TYR 35 0.170 15.011 -6.080 249 2HB TYR 35 1HB TYR 35 -1.292 15.664 -5.348 250 HD1 TYR 35 1HD TYR 35 -0.737 17.342 -3.300 251 HD2 TYR 35 2HD TYR 35 1.815 16.531 -6.606 252 HE1 TYR 35 1HE TYR 35 0.417 19.481 -2.927 253 HE2 TYR 35 2HE TYR 35 2.974 18.671 -6.243 254 HH TYR 35 HH TYR 35 2.426 20.905 -5.173 255 H GLY 36 H GLY 36 -0.374 15.663 -1.794 256 1HA GLY 36 2HA GLY 36 -1.912 15.650 -0.106 257 2HA GLY 36 1HA GLY 36 -2.926 16.187 -1.425 258 H ALA 37 H ALA 37 -1.666 12.929 -1.408 259 HA ALA 37 HA ALA 37 -4.284 11.815 -1.508 260 1HB ALA 37 1HB ALA 37 -1.874 10.172 -0.870 261 2HB ALA 37 2HB ALA 37 -2.041 10.904 -2.465 262 3HB ALA 37 3HB ALA 37 -3.264 9.777 -1.880 263 H CYS 38 H CYS 38 -4.921 9.979 0.041 264 HA CYS 38 HA CYS 38 -3.949 10.270 2.749 265 1HB CYS 38 2HB CYS 38 -6.646 11.279 1.907 266 2HB CYS 38 1HB CYS 38 -6.397 10.642 3.532 267 H ALA 39 H ALA 39 -4.479 8.592 4.092 268 HA ALA 39 HA ALA 39 -5.179 6.126 2.852 269 1HB ALA 39 1HB ALA 39 -5.042 5.221 5.177 270 2HB ALA 39 2HB ALA 39 -4.765 6.867 5.746 271 3HB ALA 39 3HB ALA 39 -3.606 6.104 4.658 272 H ALA 40 H ALA 40 -6.854 4.671 4.091 273 HA ALA 40 HA ALA 40 -9.307 6.247 4.497 274 1HB ALA 40 1HB ALA 40 -8.793 3.983 2.682 275 2HB ALA 40 2HB ALA 40 -9.937 5.317 2.540 276 3HB ALA 40 3HB ALA 40 -10.319 3.934 3.567 277 H LYS 41 H LYS 41 -7.504 5.349 6.479 278 HA LYS 41 HA LYS 41 -7.859 4.749 8.675 279 1HB LYS 41 2HB LYS 41 -10.359 4.615 7.981 280 2HB LYS 41 1HB LYS 41 -10.075 2.882 7.924 281 1HG LYS 41 2HG LYS 41 -10.928 3.291 10.062 282 2HG LYS 41 1HG LYS 41 -9.190 3.096 10.292 283 1HD LYS 41 2HD LYS 41 -9.954 5.855 9.759 284 2HD LYS 41 1HD LYS 41 -10.729 5.199 11.202 285 1HE LYS 41 2HE LYS 41 -8.520 4.491 12.033 286 2HE LYS 41 1HE LYS 41 -7.771 5.220 10.614 287 1HZ LYS 41 1HZ LYS 41 -9.504 6.843 12.356 288 2HZ LYS 41 2HZ LYS 41 -8.239 7.338 11.348 289 3HZ LYS 41 3HZ LYS 41 -7.899 6.549 12.805 290 H ARG 42 H ARG 42 -8.807 1.905 6.743 291 HA ARG 42 HA ARG 42 -6.883 0.297 8.179 292 1HB ARG 42 2HB ARG 42 -8.994 -0.356 6.135 293 2HB ARG 42 1HB ARG 42 -7.853 -1.554 6.725 294 1HG ARG 42 2HG ARG 42 -9.617 -1.941 8.114 295 2HG ARG 42 1HG ARG 42 -8.716 -0.765 9.073 296 1HD ARG 42 2HD ARG 42 -10.260 0.873 8.766 297 2HD ARG 42 1HD ARG 42 -10.700 0.307 7.159 298 HE ARG 42 HE ARG 42 -11.654 -0.876 9.684 299 1HH1 ARG 42 1HH1 ARG 42 -12.069 -0.250 6.263 300 2HH1 ARG 42 2HH1 ARG 42 -13.653 -0.943 6.211 301 1HH2 ARG 42 1HH2 ARG 42 -13.734 -1.785 9.598 302 2HH2 ARG 42 2HH2 ARG 42 -14.596 -1.812 8.096 303 H ASN 43 H ASN 43 -7.416 1.411 4.858 304 HA ASN 43 HA ASN 43 -5.252 -0.060 3.755 305 1HB ASN 43 2HB ASN 43 -7.438 1.389 2.815 306 2HB ASN 43 1HB ASN 43 -6.050 2.330 2.280 307 1HD2 ASN 43 1HD2 ASN 43 -7.504 -0.790 2.338 308 2HD2 ASN 43 2HD2 ASN 43 -6.802 -1.396 0.865 309 H ASN 44 H ASN 44 -3.700 0.678 5.483 310 HA ASN 44 HA ASN 44 -2.083 2.834 4.427 311 1HB ASN 44 2HB ASN 44 -3.535 4.124 5.843 312 2HB ASN 44 1HB ASN 44 -3.338 2.986 7.169 313 1HD2 ASN 44 1HD2 ASN 44 -1.777 3.316 8.598 314 2HD2 ASN 44 2HD2 ASN 44 -0.541 4.512 8.466 315 H PHE 45 H PHE 45 -0.427 1.316 4.119 316 HA PHE 45 HA PHE 45 0.610 0.011 6.540 317 1HB PHE 45 2HB PHE 45 1.131 -0.554 3.610 318 2HB PHE 45 1HB PHE 45 1.888 -1.405 4.953 319 HD1 PHE 45 1HD PHE 45 0.527 -2.838 6.438 320 HD2 PHE 45 2HD PHE 45 -1.084 -1.056 2.926 321 HE1 PHE 45 1HE PHE 45 -1.371 -4.402 6.520 322 HE2 PHE 45 2HE PHE 45 -2.983 -2.617 2.999 323 HZ PHE 45 HZ PHE 45 -3.130 -4.295 4.798 324 H LYS 46 H LYS 46 2.506 0.670 7.380 325 HA LYS 46 HA LYS 46 3.743 3.037 6.504 326 1HB LYS 46 2HB LYS 46 3.791 2.169 8.840 327 2HB LYS 46 1HB LYS 46 4.921 0.927 8.317 328 1HG LYS 46 2HG LYS 46 6.589 2.551 7.809 329 2HG LYS 46 1HG LYS 46 5.448 3.876 8.048 330 1HD LYS 46 2HD LYS 46 5.229 3.173 10.427 331 2HD LYS 46 1HD LYS 46 6.498 1.980 10.147 332 1HE LYS 46 2HE LYS 46 7.452 4.459 9.178 333 2HE LYS 46 1HE LYS 46 6.742 4.759 10.764 334 1HZ LYS 46 1HZ LYS 46 8.103 2.696 11.446 335 2HZ LYS 46 2HZ LYS 46 8.897 4.178 11.270 336 3HZ LYS 46 3HZ LYS 46 9.002 3.013 10.048 337 H SER 47 H SER 47 4.033 -0.125 5.322 338 HA SER 47 HA SER 47 6.234 0.695 3.624 339 1HB SER 47 2HB SER 47 7.000 -1.893 4.268 340 2HB SER 47 1HB SER 47 7.781 -0.409 4.809 341 HG SER 47 HG SER 47 6.475 -0.469 6.665 342 H ALA 48 H ALA 48 6.330 -0.382 1.680 343 HA ALA 48 HA ALA 48 3.925 -1.486 0.717 344 1HB ALA 48 1HB ALA 48 6.503 -0.815 -0.371 345 2HB ALA 48 2HB ALA 48 4.955 -0.985 -1.202 346 3HB ALA 48 3HB ALA 48 5.993 -2.392 -0.972 347 H GLU 49 H GLU 49 6.826 -2.910 2.069 348 HA GLU 49 HA GLU 49 6.323 -5.589 1.387 349 1HB GLU 49 2HB GLU 49 7.782 -4.320 3.707 350 2HB GLU 49 1HB GLU 49 7.666 -6.065 3.518 351 1HG GLU 49 2HG GLU 49 9.754 -5.400 2.630 352 2HG GLU 49 1HG GLU 49 8.714 -5.808 1.266 353 H ASP 50 H ASP 50 5.257 -3.501 4.000 354 HA ASP 50 HA ASP 50 3.878 -5.466 5.494 355 1HB ASP 50 2HB ASP 50 4.447 -2.767 5.803 356 2HB ASP 50 1HB ASP 50 2.694 -2.809 5.642 357 H CYS 51 H CYS 51 2.766 -3.142 2.985 358 HA CYS 51 HA CYS 51 0.057 -3.914 3.044 359 1HB CYS 51 2HB CYS 51 0.542 -1.907 1.907 360 2HB CYS 51 1HB CYS 51 1.827 -2.650 0.955 361 H LEU 52 H LEU 52 2.679 -4.964 0.873 362 HA LEU 52 HA LEU 52 1.242 -6.823 -0.605 363 1HB LEU 52 2HB LEU 52 4.160 -6.794 0.162 364 2HB LEU 52 1HB LEU 52 3.471 -7.901 -1.012 365 HG LEU 52 HG LEU 52 3.455 -4.893 -1.267 366 1HD1 LEU 52 1HD1 LEU 52 5.712 -5.729 -1.456 367 2HD1 LEU 52 2HD1 LEU 52 5.114 -5.274 -3.051 368 3HD1 LEU 52 3HD1 LEU 52 5.188 -6.974 -2.589 369 1HD2 LEU 52 1HD2 LEU 52 2.463 -7.125 -3.007 370 2HD2 LEU 52 2HD2 LEU 52 2.899 -5.554 -3.678 371 3HD2 LEU 52 3HD2 LEU 52 1.614 -5.674 -2.475 372 H ARG 53 H ARG 53 3.060 -7.302 2.423 373 HA ARG 53 HA ARG 53 2.729 -10.072 2.593 374 1HB ARG 53 2HB ARG 53 4.038 -8.259 4.097 375 2HB ARG 53 1HB ARG 53 2.649 -8.548 5.134 376 1HG ARG 53 2HG ARG 53 4.379 -10.750 4.041 377 2HG ARG 53 1HG ARG 53 4.667 -9.961 5.593 378 1HD ARG 53 2HD ARG 53 3.398 -11.721 6.294 379 2HD ARG 53 1HD ARG 53 2.119 -10.553 5.963 380 HE ARG 53 HE ARG 53 1.424 -11.848 4.197 381 1HH1 ARG 53 1HH1 ARG 53 4.547 -12.970 5.289 382 2HH1 ARG 53 2HH1 ARG 53 4.507 -14.405 4.322 383 1HH2 ARG 53 1HH2 ARG 53 1.375 -13.735 2.925 384 2HH2 ARG 53 2HH2 ARG 53 2.708 -14.840 2.979 385 H THR 54 H THR 54 0.689 -7.452 3.848 386 HA THR 54 HA THR 54 -1.239 -9.299 4.923 387 HB THR 54 HB THR 54 -1.429 -6.301 4.585 388 HG1 THR 54 1HG THR 54 -0.550 -6.165 6.562 389 1HG2 THR 54 1HG2 THR 54 -3.157 -8.298 5.933 390 2HG2 THR 54 2HG2 THR 54 -3.583 -6.802 5.102 391 3HG2 THR 54 3HG2 THR 54 -2.896 -6.743 6.726 392 H CYS 55 H CYS 55 -1.574 -6.703 2.472 393 HA CYS 55 HA CYS 55 -3.971 -7.960 1.492 394 1HB CYS 55 2HB CYS 55 -2.610 -5.534 0.337 395 2HB CYS 55 1HB CYS 55 -4.293 -6.016 0.163 396 H GLY 56 H GLY 56 -0.636 -7.719 0.452 397 1HA GLY 56 2HA GLY 56 -1.052 -8.378 -2.265 398 2HA GLY 56 1HA GLY 56 0.448 -8.607 -1.380 399 H GLY 57 H GLY 57 1.119 -10.648 -1.509 400 1HA GLY 57 2HA GLY 57 1.033 -12.942 -1.092 401 2HA GLY 57 1HA GLY 57 -0.700 -12.808 -0.832 402 H ALA 58 H ALA 58 -1.816 -11.990 -3.023 403 HA ALA 58 HA ALA 58 -1.394 -14.136 -4.879 404 1HB ALA 58 1HB ALA 58 -3.470 -12.220 -4.313 405 2HB ALA 58 2HB ALA 58 -3.572 -13.775 -5.138 406 3HB ALA 58 3HB ALA 58 -3.165 -12.319 -6.047 Start of MODEL 7 1 1H ARG 1 1HT ARG 1 -7.780 -13.315 0.500 2 2H ARG 1 2HT ARG 1 -6.811 -13.334 -0.916 3 3H ARG 1 3HT ARG 1 -8.471 -12.911 -1.016 4 HA ARG 1 HA ARG 1 -6.228 -11.402 0.101 5 1HB ARG 1 2HB ARG 1 -6.947 -9.737 -1.448 6 2HB ARG 1 1HB ARG 1 -6.942 -11.265 -2.317 7 1HG ARG 1 2HG ARG 1 -9.465 -11.325 -1.620 8 2HG ARG 1 1HG ARG 1 -9.240 -9.583 -1.451 9 1HD ARG 1 2HD ARG 1 -9.904 -9.731 -3.645 10 2HD ARG 1 1HD ARG 1 -8.151 -9.794 -3.818 11 HE ARG 1 HE ARG 1 -8.822 -12.397 -3.644 12 1HH1 ARG 1 1HH1 ARG 1 -10.015 -9.784 -5.625 13 2HH1 ARG 1 2HH1 ARG 1 -10.438 -10.816 -6.950 14 1HH2 ARG 1 1HH2 ARG 1 -9.377 -13.755 -5.387 15 2HH2 ARG 1 2HH2 ARG 1 -10.076 -13.070 -6.815 16 HA PRO 2 HA PRO 2 -8.797 -10.144 3.498 17 1HB PRO 2 2HB PRO 2 -7.303 -7.609 3.483 18 2HB PRO 2 1HB PRO 2 -7.423 -8.840 4.748 19 1HG PRO 2 2HG PRO 2 -5.171 -8.461 3.293 20 2HG PRO 2 1HG PRO 2 -5.653 -10.042 3.936 21 1HD PRO 2 2HD PRO 2 -5.836 -8.998 1.152 22 2HD PRO 2 1HD PRO 2 -5.518 -10.646 1.726 23 H ASP 3 H ASP 3 -10.699 -9.125 3.629 24 HA ASP 3 HA ASP 3 -11.976 -8.003 1.490 25 1HB ASP 3 2HB ASP 3 -12.502 -7.513 4.425 26 2HB ASP 3 1HB ASP 3 -13.621 -7.102 3.129 27 H PHE 4 H PHE 4 -10.663 -6.089 4.223 28 HA PHE 4 HA PHE 4 -11.309 -3.588 3.269 29 1HB PHE 4 2HB PHE 4 -9.188 -2.829 4.530 30 2HB PHE 4 1HB PHE 4 -10.494 -3.588 5.442 31 HD1 PHE 4 1HD PHE 4 -10.213 -5.807 6.378 32 HD2 PHE 4 2HD PHE 4 -7.081 -3.916 4.207 33 HE1 PHE 4 1HE PHE 4 -8.608 -7.438 7.279 34 HE2 PHE 4 2HE PHE 4 -5.472 -5.547 5.099 35 HZ PHE 4 HZ PHE 4 -6.233 -7.310 6.637 36 H CYS 5 H CYS 5 -8.857 -5.701 2.070 37 HA CYS 5 HA CYS 5 -7.157 -3.815 0.861 38 1HB CYS 5 2HB CYS 5 -7.776 -6.640 0.008 39 2HB CYS 5 1HB CYS 5 -6.463 -5.656 -0.608 40 H LEU 6 H LEU 6 -10.336 -4.759 0.155 41 HA LEU 6 HA LEU 6 -10.252 -4.067 -2.652 42 1HB LEU 6 2HB LEU 6 -12.699 -4.468 -0.936 43 2HB LEU 6 1HB LEU 6 -12.590 -4.571 -2.683 44 HG LEU 6 HG LEU 6 -11.303 -6.502 -0.746 45 1HD1 LEU 6 1HD1 LEU 6 -13.471 -7.143 -0.577 46 2HD1 LEU 6 2HD1 LEU 6 -13.066 -7.985 -2.072 47 3HD1 LEU 6 3HD1 LEU 6 -13.919 -6.444 -2.133 48 1HD2 LEU 6 1HD2 LEU 6 -11.659 -7.119 -3.619 49 2HD2 LEU 6 2HD2 LEU 6 -10.372 -7.586 -2.507 50 3HD2 LEU 6 3HD2 LEU 6 -10.392 -5.965 -3.202 51 H GLU 7 H GLU 7 -10.560 -2.361 0.279 52 HA GLU 7 HA GLU 7 -12.266 -0.265 -0.625 53 1HB GLU 7 2HB GLU 7 -10.647 -0.823 1.774 54 2HB GLU 7 1HB GLU 7 -10.844 0.880 1.395 55 1HG GLU 7 2HG GLU 7 -12.606 0.427 2.825 56 2HG GLU 7 1HG GLU 7 -13.343 0.356 1.225 57 HA PRO 8 HA PRO 8 -9.006 1.786 -2.923 58 1HB PRO 8 2HB PRO 8 -10.559 3.412 -4.358 59 2HB PRO 8 1HB PRO 8 -10.539 1.670 -4.664 60 1HG PRO 8 2HG PRO 8 -12.563 3.318 -3.216 61 2HG PRO 8 1HG PRO 8 -12.804 1.929 -4.289 62 1HD PRO 8 2HD PRO 8 -12.798 1.853 -1.497 63 2HD PRO 8 1HD PRO 8 -12.619 0.453 -2.572 64 HA PRO 9 HA PRO 9 -8.631 5.570 -0.620 65 1HB PRO 9 2HB PRO 9 -6.500 6.640 -1.851 66 2HB PRO 9 1HB PRO 9 -6.372 5.156 -0.901 67 1HG PRO 9 2HG PRO 9 -6.363 5.523 -3.842 68 2HG PRO 9 1HG PRO 9 -5.581 4.278 -2.860 69 1HD PRO 9 2HD PRO 9 -8.019 4.046 -4.286 70 2HD PRO 9 1HD PRO 9 -7.317 2.873 -3.149 71 H TYR 10 H TYR 10 -8.139 8.028 -1.151 72 HA TYR 10 HA TYR 10 -9.347 8.941 -3.617 73 1HB TYR 10 2HB TYR 10 -11.194 10.080 -2.661 74 2HB TYR 10 1HB TYR 10 -11.227 8.458 -1.981 75 HD1 TYR 10 1HD TYR 10 -10.744 12.005 -1.271 76 HD2 TYR 10 2HD TYR 10 -10.676 8.082 0.374 77 HE1 TYR 10 1HE TYR 10 -10.789 12.960 0.995 78 HE2 TYR 10 2HE TYR 10 -10.721 9.027 2.645 79 HH TYR 10 HH TYR 10 -9.958 11.378 3.676 80 H ALA 11 H ALA 11 -9.030 11.171 -4.023 81 HA ALA 11 HA ALA 11 -7.119 12.487 -2.205 82 1HB ALA 11 1HB ALA 11 -6.393 13.520 -4.581 83 2HB ALA 11 2HB ALA 11 -6.901 11.909 -5.087 84 3HB ALA 11 3HB ALA 11 -5.643 12.093 -3.864 85 H GLY 12 H GLY 12 -7.760 14.400 -1.504 86 1HA GLY 12 2HA GLY 12 -8.908 16.408 -3.100 87 2HA GLY 12 1HA GLY 12 -10.194 15.591 -2.220 88 H ALA 13 H ALA 13 -7.360 17.591 -1.978 89 HA ALA 13 HA ALA 13 -6.563 18.965 -0.348 90 1HB ALA 13 1HB ALA 13 -8.102 20.352 0.577 91 2HB ALA 13 2HB ALA 13 -9.153 19.030 1.087 92 3HB ALA 13 3HB ALA 13 -9.149 19.557 -0.598 93 H CYS 14 H CYS 14 -5.145 17.625 0.701 94 HA CYS 14 HA CYS 14 -5.798 16.925 3.403 95 1HB CYS 14 2HB CYS 14 -5.539 14.799 1.317 96 2HB CYS 14 1HB CYS 14 -4.917 14.493 2.933 97 H ARG 15 H ARG 15 -3.841 15.773 4.440 98 HA ARG 15 HA ARG 15 -1.307 16.243 3.139 99 1HB ARG 15 2HB ARG 15 -0.524 17.689 5.094 100 2HB ARG 15 1HB ARG 15 -1.555 18.456 3.894 101 1HG ARG 15 2HG ARG 15 -3.149 18.891 5.388 102 2HG ARG 15 1HG ARG 15 -3.063 17.271 6.081 103 1HD ARG 15 2HD ARG 15 -0.703 18.771 6.752 104 2HD ARG 15 1HD ARG 15 -2.147 19.674 7.207 105 HE ARG 15 HE ARG 15 -1.111 17.404 8.518 106 1HH1 ARG 15 1HH1 ARG 15 -4.148 18.807 7.523 107 2HH1 ARG 15 2HH1 ARG 15 -5.056 18.050 8.788 108 1HH2 ARG 15 1HH2 ARG 15 -2.304 16.407 10.183 109 2HH2 ARG 15 2HH2 ARG 15 -4.010 16.688 10.299 110 H ALA 16 H ALA 16 0.534 15.756 4.729 111 HA ALA 16 HA ALA 16 1.533 14.449 6.322 112 1HB ALA 16 1HB ALA 16 -0.828 13.121 7.403 113 2HB ALA 16 2HB ALA 16 -0.919 14.880 7.477 114 3HB ALA 16 3HB ALA 16 0.438 14.035 8.224 115 H ALA 17 H ALA 17 2.420 13.175 4.714 116 HA ALA 17 HA ALA 17 1.585 10.485 4.713 117 1HB ALA 17 1HB ALA 17 0.125 11.525 2.953 118 2HB ALA 17 2HB ALA 17 1.106 10.164 2.415 119 3HB ALA 17 3HB ALA 17 1.595 11.812 2.023 120 H ALA 18 H ALA 18 3.787 10.936 5.747 121 HA ALA 18 HA ALA 18 6.018 11.410 4.046 122 1HB ALA 18 1HB ALA 18 7.340 11.154 5.928 123 2HB ALA 18 2HB ALA 18 6.251 9.976 6.660 124 3HB ALA 18 3HB ALA 18 5.804 11.682 6.617 125 H ALA 19 H ALA 19 5.651 9.910 2.323 126 HA ALA 19 HA ALA 19 5.987 7.971 1.176 127 1HB ALA 19 1HB ALA 19 8.191 7.773 1.569 128 2HB ALA 19 2HB ALA 19 7.703 6.411 2.576 129 3HB ALA 19 3HB ALA 19 8.008 7.986 3.310 130 H ARG 20 H ARG 20 3.919 7.102 1.317 131 HA ARG 20 HA ARG 20 3.695 4.799 3.117 132 1HB ARG 20 2HB ARG 20 1.379 6.680 2.618 133 2HB ARG 20 1HB ARG 20 1.403 5.266 3.675 134 1HG ARG 20 2HG ARG 20 3.433 6.735 4.705 135 2HG ARG 20 1HG ARG 20 2.320 7.997 4.166 136 1HD ARG 20 2HD ARG 20 0.983 7.605 5.894 137 2HD ARG 20 1HD ARG 20 0.853 5.903 5.452 138 HE ARG 20 HE ARG 20 2.880 5.527 6.757 139 1HH1 ARG 20 1HH1 ARG 20 1.087 8.466 7.372 140 2HH1 ARG 20 2HH1 ARG 20 1.728 8.664 8.966 141 1HH2 ARG 20 1HH2 ARG 20 3.721 5.800 8.852 142 2HH2 ARG 20 2HH2 ARG 20 3.221 7.157 9.805 143 H TYR 21 H TYR 21 1.885 3.313 2.400 144 HA TYR 21 HA TYR 21 1.437 3.472 -0.495 145 1HB TYR 21 2HB TYR 21 2.639 1.175 1.031 146 2HB TYR 21 1HB TYR 21 1.850 0.938 -0.523 147 HD1 TYR 21 1HD TYR 21 4.471 3.113 1.027 148 HD2 TYR 21 2HD TYR 21 3.161 0.983 -2.412 149 HE1 TYR 21 1HE TYR 21 6.574 3.675 -0.114 150 HE2 TYR 21 2HE TYR 21 5.259 1.540 -3.562 151 HH TYR 21 HH TYR 21 7.498 2.208 -3.088 152 H PHE 22 H PHE 22 -0.186 1.877 -1.256 153 HA PHE 22 HA PHE 22 -2.103 0.942 0.741 154 1HB PHE 22 2HB PHE 22 -3.990 1.900 -0.639 155 2HB PHE 22 1HB PHE 22 -3.073 3.061 0.297 156 HD1 PHE 22 1HD PHE 22 -1.360 4.480 -0.877 157 HD2 PHE 22 2HD PHE 22 -4.178 2.074 -2.967 158 HE1 PHE 22 1HE PHE 22 -0.970 5.797 -2.916 159 HE2 PHE 22 2HE PHE 22 -3.791 3.388 -5.011 160 HZ PHE 22 HZ PHE 22 -2.183 5.252 -4.987 161 H TYR 23 H TYR 23 -3.540 -0.664 -0.087 162 HA TYR 23 HA TYR 23 -2.275 -2.177 -2.224 163 1HB TYR 23 2HB TYR 23 -3.023 -3.339 -0.197 164 2HB TYR 23 1HB TYR 23 -4.697 -2.892 -0.555 165 HD1 TYR 23 1HD TYR 23 -1.786 -4.788 -1.882 166 HD2 TYR 23 2HD TYR 23 -5.998 -4.231 -1.976 167 HE1 TYR 23 1HE TYR 23 -2.014 -6.800 -3.275 168 HE2 TYR 23 2HE TYR 23 -6.241 -6.246 -3.361 169 HH TYR 23 HH TYR 23 -4.950 -7.624 -4.848 170 H ASN 24 H ASN 24 -3.081 -2.656 -4.178 171 HA ASN 24 HA ASN 24 -5.563 -1.287 -5.000 172 1HB ASN 24 2HB ASN 24 -3.601 -0.296 -6.060 173 2HB ASN 24 1HB ASN 24 -3.063 -1.883 -6.608 174 1HD2 ASN 24 1HD2 ASN 24 -3.669 0.530 -8.106 175 2HD2 ASN 24 2HD2 ASN 24 -4.882 0.074 -9.257 176 H ALA 25 H ALA 25 -6.909 -3.066 -4.575 177 HA ALA 25 HA ALA 25 -6.465 -5.717 -5.209 178 1HB ALA 25 1HB ALA 25 -8.574 -6.030 -4.520 179 2HB ALA 25 2HB ALA 25 -9.227 -4.864 -5.669 180 3HB ALA 25 3HB ALA 25 -8.545 -4.308 -4.141 181 H LYS 26 H LYS 26 -7.316 -3.082 -7.314 182 HA LYS 26 HA LYS 26 -8.084 -4.755 -9.524 183 1HB LYS 26 2HB LYS 26 -8.232 -1.990 -8.870 184 2HB LYS 26 1HB LYS 26 -7.370 -2.132 -10.395 185 1HG LYS 26 2HG LYS 26 -9.750 -3.809 -10.258 186 2HG LYS 26 1HG LYS 26 -10.089 -2.087 -10.085 187 1HD LYS 26 2HD LYS 26 -8.275 -3.051 -12.261 188 2HD LYS 26 1HD LYS 26 -10.025 -3.153 -12.457 189 1HE LYS 26 2HE LYS 26 -9.872 -1.058 -13.233 190 2HE LYS 26 1HE LYS 26 -9.703 -0.600 -11.539 191 1HZ LYS 26 1HZ LYS 26 -7.525 -0.152 -11.786 192 2HZ LYS 26 2HZ LYS 26 -7.944 0.057 -13.411 193 3HZ LYS 26 3HZ LYS 26 -7.261 -1.402 -12.896 194 H ALA 27 H ALA 27 -5.129 -4.188 -8.150 195 HA ALA 27 HA ALA 27 -3.772 -4.819 -10.674 196 1HB ALA 27 1HB ALA 27 -3.471 -2.448 -10.417 197 2HB ALA 27 2HB ALA 27 -1.937 -3.264 -10.112 198 3HB ALA 27 3HB ALA 27 -2.901 -2.662 -8.763 199 H GLY 28 H GLY 28 -4.296 -5.675 -7.508 200 1HA GLY 28 2HA GLY 28 -3.388 -7.292 -6.193 201 2HA GLY 28 1HA GLY 28 -2.402 -7.713 -7.569 202 H LEU 29 H LEU 29 -1.666 -4.589 -7.108 203 HA LEU 29 HA LEU 29 0.420 -5.193 -5.124 204 1HB LEU 29 2HB LEU 29 0.684 -4.353 -7.881 205 2HB LEU 29 1HB LEU 29 1.461 -3.215 -6.797 206 HG LEU 29 HG LEU 29 2.312 -5.692 -5.871 207 1HD1 LEU 29 1HD1 LEU 29 1.717 -7.018 -7.651 208 2HD1 LEU 29 2HD1 LEU 29 3.342 -6.518 -8.122 209 3HD1 LEU 29 3HD1 LEU 29 1.934 -5.724 -8.829 210 1HD2 LEU 29 1HD2 LEU 29 3.863 -3.996 -5.843 211 2HD2 LEU 29 2HD2 LEU 29 3.504 -3.493 -7.495 212 3HD2 LEU 29 3HD2 LEU 29 4.440 -4.959 -7.202 213 H CYS 30 H CYS 30 1.511 -3.064 -4.362 214 HA CYS 30 HA CYS 30 -0.660 -1.259 -3.596 215 1HB CYS 30 2HB CYS 30 2.040 -1.117 -2.332 216 2HB CYS 30 1HB CYS 30 0.462 -0.783 -1.636 217 H GLN 31 H GLN 31 0.066 1.043 -3.162 218 HA GLN 31 HA GLN 31 2.064 2.035 -5.024 219 1HB GLN 31 2HB GLN 31 -0.421 1.846 -6.004 220 2HB GLN 31 1HB GLN 31 -0.561 3.407 -5.210 221 1HG GLN 31 2HG GLN 31 1.817 3.620 -6.565 222 2HG GLN 31 1HG GLN 31 0.816 2.665 -7.659 223 1HE2 GLN 31 1HE2 GLN 31 1.806 5.394 -7.930 224 2HE2 GLN 31 2HE2 GLN 31 0.411 6.391 -8.141 225 H THR 32 H THR 32 2.728 4.195 -4.623 226 HA THR 32 HA THR 32 2.521 4.996 -1.878 227 HB THR 32 HB THR 32 4.525 5.261 -3.519 228 HG1 THR 32 1HG THR 32 4.366 6.095 -1.336 229 1HG2 THR 32 1HG2 THR 32 3.348 6.571 -5.227 230 2HG2 THR 32 2HG2 THR 32 4.741 7.421 -4.559 231 3HG2 THR 32 3HG2 THR 32 3.110 7.863 -4.049 232 H PHE 33 H PHE 33 1.633 6.854 -1.012 233 HA PHE 33 HA PHE 33 -0.796 7.752 -2.250 234 1HB PHE 33 2HB PHE 33 0.616 8.273 0.336 235 2HB PHE 33 1HB PHE 33 -0.606 9.425 -0.193 236 HD1 PHE 33 1HD PHE 33 0.022 6.034 0.982 237 HD2 PHE 33 2HD PHE 33 -2.942 8.794 -0.318 238 HE1 PHE 33 1HE PHE 33 -1.733 4.560 1.869 239 HE2 PHE 33 2HE PHE 33 -4.704 7.326 0.570 240 HZ PHE 33 HZ PHE 33 -4.100 5.205 1.666 241 H ALA 34 H ALA 34 -1.118 9.558 -3.450 242 HA ALA 34 HA ALA 34 1.123 11.104 -4.322 243 1HB ALA 34 1HB ALA 34 -0.542 10.791 -5.944 244 2HB ALA 34 2HB ALA 34 -0.714 12.477 -5.459 245 3HB ALA 34 3HB ALA 34 -1.832 11.262 -4.838 246 H TYR 35 H TYR 35 1.300 13.453 -4.122 247 HA TYR 35 HA TYR 35 1.050 14.317 -1.433 248 1HB TYR 35 2HB TYR 35 2.631 15.084 -3.451 249 2HB TYR 35 1HB TYR 35 1.407 16.341 -3.584 250 HD1 TYR 35 1HD TYR 35 4.275 15.160 -1.765 251 HD2 TYR 35 2HD TYR 35 0.939 17.793 -1.572 252 HE1 TYR 35 1HE TYR 35 5.358 16.388 0.070 253 HE2 TYR 35 2HE TYR 35 2.014 19.029 0.262 254 HH TYR 35 HH TYR 35 5.296 18.550 1.128 255 H GLY 36 H GLY 36 -1.358 13.718 -1.546 256 1HA GLY 36 2HA GLY 36 -2.926 15.902 -1.079 257 2HA GLY 36 1HA GLY 36 -3.138 15.461 -2.756 258 H ALA 37 H ALA 37 -2.715 12.607 -2.223 259 HA ALA 37 HA ALA 37 -5.397 11.847 -1.878 260 1HB ALA 37 1HB ALA 37 -2.880 10.198 -1.749 261 2HB ALA 37 2HB ALA 37 -3.898 10.479 -3.161 262 3HB ALA 37 3HB ALA 37 -4.514 9.533 -1.805 263 H CYS 38 H CYS 38 -6.585 11.372 -0.161 264 HA CYS 38 HA CYS 38 -5.456 11.703 2.480 265 1HB CYS 38 2HB CYS 38 -8.299 10.959 1.792 266 2HB CYS 38 1HB CYS 38 -7.710 11.720 3.266 267 H ALA 39 H ALA 39 -5.532 10.159 4.149 268 HA ALA 39 HA ALA 39 -4.950 7.500 3.339 269 1HB ALA 39 1HB ALA 39 -5.204 7.212 5.976 270 2HB ALA 39 2HB ALA 39 -5.066 8.969 5.903 271 3HB ALA 39 3HB ALA 39 -3.789 7.954 5.230 272 H ALA 40 H ALA 40 -5.997 5.569 4.287 273 HA ALA 40 HA ALA 40 -8.928 5.869 4.250 274 1HB ALA 40 1HB ALA 40 -8.001 4.610 2.346 275 2HB ALA 40 2HB ALA 40 -9.061 3.626 3.354 276 3HB ALA 40 3HB ALA 40 -7.311 3.445 3.475 277 H LYS 41 H LYS 41 -10.081 4.057 5.434 278 HA LYS 41 HA LYS 41 -9.349 4.126 8.149 279 1HB LYS 41 2HB LYS 41 -11.619 3.434 6.716 280 2HB LYS 41 1HB LYS 41 -11.138 1.923 7.477 281 1HG LYS 41 2HG LYS 41 -11.107 3.064 9.659 282 2HG LYS 41 1HG LYS 41 -11.671 4.539 8.870 283 1HD LYS 41 2HD LYS 41 -13.638 3.169 8.039 284 2HD LYS 41 1HD LYS 41 -13.115 1.915 9.164 285 1HE LYS 41 2HE LYS 41 -14.848 3.292 10.166 286 2HE LYS 41 1HE LYS 41 -13.319 3.504 11.018 287 1HZ LYS 41 1HZ LYS 41 -13.746 5.376 8.864 288 2HZ LYS 41 2HZ LYS 41 -13.218 5.650 10.448 289 3HZ LYS 41 3HZ LYS 41 -14.871 5.510 10.121 290 H ARG 42 H ARG 42 -9.817 1.090 6.343 291 HA ARG 42 HA ARG 42 -7.882 -0.209 8.048 292 1HB ARG 42 2HB ARG 42 -9.580 -1.313 5.807 293 2HB ARG 42 1HB ARG 42 -8.572 -2.270 6.883 294 1HG ARG 42 2HG ARG 42 -10.730 -0.490 7.953 295 2HG ARG 42 1HG ARG 42 -11.076 -2.123 7.382 296 1HD ARG 42 2HD ARG 42 -9.960 -3.112 9.105 297 2HD ARG 42 1HD ARG 42 -8.811 -1.784 9.264 298 HE ARG 42 HE ARG 42 -10.163 -0.903 10.866 299 1HH1 ARG 42 1HH1 ARG 42 -12.095 -3.000 8.854 300 2HH1 ARG 42 2HH1 ARG 42 -13.525 -2.810 9.813 301 1HH2 ARG 42 1HH2 ARG 42 -12.041 -0.653 12.129 302 2HH2 ARG 42 2HH2 ARG 42 -13.494 -1.478 11.672 303 H ASN 43 H ASN 43 -8.123 0.871 4.721 304 HA ASN 43 HA ASN 43 -5.842 -0.535 3.770 305 1HB ASN 43 2HB ASN 43 -7.913 0.976 2.675 306 2HB ASN 43 1HB ASN 43 -6.463 1.926 2.359 307 1HD2 ASN 43 1HD2 ASN 43 -7.952 -1.162 2.055 308 2HD2 ASN 43 2HD2 ASN 43 -7.074 -1.701 0.652 309 H ASN 44 H ASN 44 -4.204 1.033 2.593 310 HA ASN 44 HA ASN 44 -2.481 2.528 2.742 311 1HB ASN 44 2HB ASN 44 -4.184 4.156 3.489 312 2HB ASN 44 1HB ASN 44 -3.895 3.666 5.154 313 1HD2 ASN 44 1HD2 ASN 44 -3.573 6.277 4.058 314 2HD2 ASN 44 2HD2 ASN 44 -1.910 6.707 4.237 315 H PHE 45 H PHE 45 -0.602 1.646 3.294 316 HA PHE 45 HA PHE 45 -0.204 0.776 6.081 317 1HB PHE 45 2HB PHE 45 0.811 -0.410 3.492 318 2HB PHE 45 1HB PHE 45 1.497 -0.812 5.064 319 HD1 PHE 45 1HD PHE 45 0.468 -2.398 6.466 320 HD2 PHE 45 2HD PHE 45 -1.610 -0.908 3.062 321 HE1 PHE 45 1HE PHE 45 -1.273 -4.109 6.785 322 HE2 PHE 45 2HE PHE 45 -3.354 -2.617 3.374 323 HZ PHE 45 HZ PHE 45 -3.188 -4.219 5.238 324 H LYS 46 H LYS 46 1.761 1.338 7.057 325 HA LYS 46 HA LYS 46 2.937 3.738 6.188 326 1HB LYS 46 2HB LYS 46 4.447 3.520 8.042 327 2HB LYS 46 1HB LYS 46 2.859 2.970 8.552 328 1HG LYS 46 2HG LYS 46 3.555 0.662 8.335 329 2HG LYS 46 1HG LYS 46 5.129 1.174 7.724 330 1HD LYS 46 2HD LYS 46 4.793 2.559 10.128 331 2HD LYS 46 1HD LYS 46 4.202 0.928 10.451 332 1HE LYS 46 2HE LYS 46 6.261 0.065 10.401 333 2HE LYS 46 1HE LYS 46 6.681 0.938 8.928 334 1HZ LYS 46 1HZ LYS 46 7.386 2.782 10.136 335 2HZ LYS 46 2HZ LYS 46 7.977 1.476 11.034 336 3HZ LYS 46 3HZ LYS 46 6.592 2.299 11.550 337 H SER 47 H SER 47 3.531 0.531 5.222 338 HA SER 47 HA SER 47 5.710 1.421 3.544 339 1HB SER 47 2HB SER 47 6.730 -1.001 4.452 340 2HB SER 47 1HB SER 47 7.334 0.603 4.852 341 HG SER 47 HG SER 47 5.199 -0.477 6.323 342 H ALA 48 H ALA 48 6.022 0.176 1.717 343 HA ALA 48 HA ALA 48 3.787 -1.194 0.734 344 1HB ALA 48 1HB ALA 48 4.908 -0.851 -1.162 345 2HB ALA 48 2HB ALA 48 6.046 -2.114 -0.700 346 3HB ALA 48 3HB ALA 48 6.363 -0.437 -0.255 347 H GLU 49 H GLU 49 6.755 -2.351 2.244 348 HA GLU 49 HA GLU 49 6.348 -5.093 1.818 349 1HB GLU 49 2HB GLU 49 8.251 -3.555 3.122 350 2HB GLU 49 1HB GLU 49 7.489 -4.437 4.438 351 1HG GLU 49 2HG GLU 49 7.857 -6.509 2.928 352 2HG GLU 49 1HG GLU 49 9.030 -5.481 2.107 353 H ASP 50 H ASP 50 5.196 -2.833 4.256 354 HA ASP 50 HA ASP 50 3.872 -4.737 5.886 355 1HB ASP 50 2HB ASP 50 4.313 -1.972 5.946 356 2HB ASP 50 1HB ASP 50 2.564 -2.156 5.896 357 H CYS 51 H CYS 51 2.801 -2.727 3.140 358 HA CYS 51 HA CYS 51 0.076 -3.462 3.230 359 1HB CYS 51 2HB CYS 51 0.624 -1.584 1.897 360 2HB CYS 51 1HB CYS 51 1.913 -2.446 1.056 361 H LEU 52 H LEU 52 2.677 -4.655 1.112 362 HA LEU 52 HA LEU 52 1.314 -6.713 -0.125 363 1HB LEU 52 2HB LEU 52 4.224 -6.415 0.592 364 2HB LEU 52 1HB LEU 52 3.622 -7.754 -0.366 365 HG LEU 52 HG LEU 52 3.561 -4.829 -1.095 366 1HD1 LEU 52 1HD1 LEU 52 5.152 -5.327 -2.710 367 2HD1 LEU 52 2HD1 LEU 52 4.817 -7.058 -2.648 368 3HD1 LEU 52 3HD1 LEU 52 5.680 -6.278 -1.321 369 1HD2 LEU 52 1HD2 LEU 52 2.315 -7.204 -2.466 370 2HD2 LEU 52 2HD2 LEU 52 2.601 -5.654 -3.256 371 3HD2 LEU 52 3HD2 LEU 52 1.507 -5.751 -1.876 372 H ARG 53 H ARG 53 3.170 -6.835 2.922 373 HA ARG 53 HA ARG 53 2.952 -9.590 3.346 374 1HB ARG 53 2HB ARG 53 4.192 -7.594 4.672 375 2HB ARG 53 1HB ARG 53 2.827 -7.858 5.747 376 1HG ARG 53 2HG ARG 53 4.614 -10.084 4.814 377 2HG ARG 53 1HG ARG 53 4.946 -9.130 6.260 378 1HD ARG 53 2HD ARG 53 2.207 -10.080 6.193 379 2HD ARG 53 1HD ARG 53 3.365 -11.404 6.091 380 HE ARG 53 HE ARG 53 4.146 -10.874 8.223 381 1HH1 ARG 53 1HH1 ARG 53 1.677 -8.620 7.198 382 2HH1 ARG 53 2HH1 ARG 53 1.414 -8.000 8.792 383 1HH2 ARG 53 1HH2 ARG 53 3.799 -10.051 10.312 384 2HH2 ARG 53 2HH2 ARG 53 2.617 -8.808 10.558 385 H THR 54 H THR 54 0.868 -6.964 4.552 386 HA THR 54 HA THR 54 -0.997 -8.802 5.729 387 HB THR 54 HB THR 54 -1.358 -5.849 5.194 388 HG1 THR 54 1HG THR 54 -0.284 -7.151 7.474 389 1HG2 THR 54 1HG2 THR 54 -2.524 -6.629 7.623 390 2HG2 THR 54 2HG2 THR 54 -3.054 -7.796 6.411 391 3HG2 THR 54 3HG2 THR 54 -3.331 -6.074 6.157 392 H CYS 55 H CYS 55 -1.390 -6.379 3.135 393 HA CYS 55 HA CYS 55 -3.840 -7.523 2.279 394 1HB CYS 55 2HB CYS 55 -2.233 -5.175 1.614 395 2HB CYS 55 1HB CYS 55 -3.029 -5.882 0.214 396 H GLY 56 H GLY 56 -0.534 -7.625 1.002 397 1HA GLY 56 2HA GLY 56 -1.237 -9.003 -1.387 398 2HA GLY 56 1HA GLY 56 0.379 -8.880 -0.710 399 H GLY 57 H GLY 57 1.146 -10.517 0.649 400 1HA GLY 57 2HA GLY 57 0.225 -13.114 0.121 401 2HA GLY 57 1HA GLY 57 1.357 -12.679 1.393 402 H ALA 58 H ALA 58 -1.984 -13.284 0.599 403 HA ALA 58 HA ALA 58 -2.986 -12.724 3.227 404 1HB ALA 58 1HB ALA 58 -4.821 -12.591 1.965 405 2HB ALA 58 2HB ALA 58 -4.855 -14.354 2.009 406 3HB ALA 58 3HB ALA 58 -4.086 -13.520 0.659 Start of MODEL 8 1 1H ARG 1 1HT ARG 1 -7.613 -13.414 -0.639 2 2H ARG 1 2HT ARG 1 -7.600 -13.023 -2.311 3 3H ARG 1 3HT ARG 1 -9.012 -12.750 -1.374 4 HA ARG 1 HA ARG 1 -6.454 -11.461 -0.764 5 1HB ARG 1 2HB ARG 1 -7.416 -9.505 -2.033 6 2HB ARG 1 1HB ARG 1 -6.897 -10.857 -3.029 7 1HG ARG 1 2HG ARG 1 -8.932 -11.137 -3.870 8 2HG ARG 1 1HG ARG 1 -9.677 -11.101 -2.272 9 1HD ARG 1 2HD ARG 1 -9.683 -8.679 -2.292 10 2HD ARG 1 1HD ARG 1 -8.832 -8.664 -3.837 11 HE ARG 1 HE ARG 1 -11.638 -9.093 -3.407 12 1HH1 ARG 1 1HH1 ARG 1 -8.959 -9.678 -5.566 13 2HH1 ARG 1 2HH1 ARG 1 -9.966 -9.880 -6.961 14 1HH2 ARG 1 1HH2 ARG 1 -12.962 -9.359 -5.240 15 2HH2 ARG 1 2HH2 ARG 1 -12.237 -9.697 -6.776 16 HA PRO 2 HA PRO 2 -8.764 -10.378 2.878 17 1HB PRO 2 2HB PRO 2 -7.100 -7.930 2.853 18 2HB PRO 2 1HB PRO 2 -7.304 -9.145 4.123 19 1HG PRO 2 2HG PRO 2 -5.060 -8.975 2.617 20 2HG PRO 2 1HG PRO 2 -5.672 -10.505 3.271 21 1HD PRO 2 2HD PRO 2 -5.737 -9.478 0.494 22 2HD PRO 2 1HD PRO 2 -5.697 -11.149 1.083 23 H ASP 3 H ASP 3 -10.657 -9.371 3.081 24 HA ASP 3 HA ASP 3 -11.947 -8.014 1.096 25 1HB ASP 3 2HB ASP 3 -12.364 -8.332 4.000 26 2HB ASP 3 1HB ASP 3 -13.217 -6.981 3.257 27 H PHE 4 H PHE 4 -10.363 -6.415 3.886 28 HA PHE 4 HA PHE 4 -11.026 -3.820 3.238 29 1HB PHE 4 2HB PHE 4 -8.755 -3.218 4.324 30 2HB PHE 4 1HB PHE 4 -10.006 -3.977 5.305 31 HD1 PHE 4 1HD PHE 4 -9.814 -6.478 5.728 32 HD2 PHE 4 2HD PHE 4 -6.645 -4.129 4.134 33 HE1 PHE 4 1HE PHE 4 -8.198 -8.200 6.407 34 HE2 PHE 4 2HE PHE 4 -5.026 -5.852 4.809 35 HZ PHE 4 HZ PHE 4 -5.802 -7.889 5.946 36 H CYS 5 H CYS 5 -8.828 -5.882 1.598 37 HA CYS 5 HA CYS 5 -7.117 -4.057 0.359 38 1HB CYS 5 2HB CYS 5 -8.234 -6.637 -0.741 39 2HB CYS 5 1HB CYS 5 -6.866 -5.757 -1.398 40 H LEU 6 H LEU 6 -10.449 -4.645 -0.031 41 HA LEU 6 HA LEU 6 -10.649 -3.556 -2.697 42 1HB LEU 6 2HB LEU 6 -12.884 -4.033 -0.730 43 2HB LEU 6 1HB LEU 6 -13.013 -3.883 -2.472 44 HG LEU 6 HG LEU 6 -11.703 -6.172 -0.988 45 1HD1 LEU 6 1HD1 LEU 6 -14.227 -6.149 -2.631 46 2HD1 LEU 6 2HD1 LEU 6 -14.190 -6.055 -0.871 47 3HD1 LEU 6 3HD1 LEU 6 -13.567 -7.487 -1.690 48 1HD2 LEU 6 1HD2 LEU 6 -10.835 -5.404 -3.333 49 2HD2 LEU 6 2HD2 LEU 6 -12.315 -6.171 -3.910 50 3HD2 LEU 6 3HD2 LEU 6 -11.127 -7.113 -3.008 51 H GLU 7 H GLU 7 -10.533 -2.297 0.486 52 HA GLU 7 HA GLU 7 -12.071 0.066 0.015 53 1HB GLU 7 2HB GLU 7 -11.543 -1.027 2.274 54 2HB GLU 7 1HB GLU 7 -9.972 -0.242 2.148 55 1HG GLU 7 2HG GLU 7 -11.276 1.190 3.454 56 2HG GLU 7 1HG GLU 7 -11.238 1.930 1.855 57 HA PRO 8 HA PRO 8 -8.570 2.106 -1.946 58 1HB PRO 8 2HB PRO 8 -10.092 3.721 -3.532 59 2HB PRO 8 1HB PRO 8 -9.714 2.044 -3.925 60 1HG PRO 8 2HG PRO 8 -12.266 3.208 -3.190 61 2HG PRO 8 1HG PRO 8 -11.919 1.574 -3.778 62 1HD PRO 8 2HD PRO 8 -12.348 2.513 -1.031 63 2HD PRO 8 1HD PRO 8 -12.388 0.859 -1.677 64 HA PRO 9 HA PRO 9 -8.402 5.894 0.371 65 1HB PRO 9 2HB PRO 9 -6.602 7.311 -1.042 66 2HB PRO 9 1HB PRO 9 -6.141 5.850 -0.159 67 1HG PRO 9 2HG PRO 9 -6.771 6.181 -3.073 68 2HG PRO 9 1HG PRO 9 -5.413 5.327 -2.320 69 1HD PRO 9 2HD PRO 9 -7.625 4.046 -3.214 70 2HD PRO 9 1HD PRO 9 -6.686 3.477 -1.812 71 H TYR 10 H TYR 10 -7.998 8.457 -0.510 72 HA TYR 10 HA TYR 10 -9.931 9.071 -2.581 73 1HB TYR 10 2HB TYR 10 -11.332 10.448 -1.186 74 2HB TYR 10 1HB TYR 10 -11.242 8.840 -0.478 75 HD1 TYR 10 1HD TYR 10 -9.533 8.505 1.434 76 HD2 TYR 10 2HD TYR 10 -10.884 12.322 0.128 77 HE1 TYR 10 1HE TYR 10 -8.853 9.475 3.590 78 HE2 TYR 10 2HE TYR 10 -10.206 13.306 2.279 79 HH TYR 10 HH TYR 10 -8.466 11.430 4.699 80 H ALA 11 H ALA 11 -9.672 11.088 -3.485 81 HA ALA 11 HA ALA 11 -7.286 12.571 -2.600 82 1HB ALA 11 1HB ALA 11 -8.499 12.217 -5.331 83 2HB ALA 11 2HB ALA 11 -6.908 11.703 -4.771 84 3HB ALA 11 3HB ALA 11 -7.259 13.420 -4.978 85 H GLY 12 H GLY 12 -7.746 14.395 -1.571 86 1HA GLY 12 2HA GLY 12 -8.867 16.651 -2.383 87 2HA GLY 12 1HA GLY 12 -10.317 15.721 -2.027 88 H ALA 13 H ALA 13 -8.916 18.165 -0.797 89 HA ALA 13 HA ALA 13 -8.715 19.081 1.278 90 1HB ALA 13 1HB ALA 13 -10.928 17.502 1.408 91 2HB ALA 13 2HB ALA 13 -10.381 18.571 2.700 92 3HB ALA 13 3HB ALA 13 -9.962 16.858 2.736 93 H CYS 14 H CYS 14 -6.527 17.727 0.366 94 HA CYS 14 HA CYS 14 -5.174 17.073 2.813 95 1HB CYS 14 2HB CYS 14 -6.436 14.962 1.662 96 2HB CYS 14 1HB CYS 14 -4.885 14.895 0.847 97 H ARG 15 H ARG 15 -2.830 16.262 2.150 98 HA ARG 15 HA ARG 15 -1.938 17.481 -0.351 99 1HB ARG 15 2HB ARG 15 -0.936 18.376 2.357 100 2HB ARG 15 1HB ARG 15 -0.214 18.830 0.823 101 1HG ARG 15 2HG ARG 15 -1.518 20.624 0.922 102 2HG ARG 15 1HG ARG 15 -2.837 19.543 0.477 103 1HD ARG 15 2HD ARG 15 -2.587 19.203 3.216 104 2HD ARG 15 1HD ARG 15 -2.325 20.930 2.979 105 HE ARG 15 HE ARG 15 -4.781 19.463 2.572 106 1HH1 ARG 15 1HH1 ARG 15 -3.012 22.398 1.898 107 2HH1 ARG 15 2HH1 ARG 15 -4.436 23.326 1.571 108 1HH2 ARG 15 1HH2 ARG 15 -6.651 20.685 2.140 109 2HH2 ARG 15 2HH2 ARG 15 -6.501 22.355 1.708 110 H ALA 16 H ALA 16 0.730 17.465 -0.061 111 HA ALA 16 HA ALA 16 1.368 14.698 -0.221 112 1HB ALA 16 1HB ALA 16 3.298 15.371 -1.181 113 2HB ALA 16 2HB ALA 16 3.579 16.638 0.013 114 3HB ALA 16 3HB ALA 16 2.442 16.908 -1.308 115 H ALA 17 H ALA 17 1.745 13.392 1.396 116 HA ALA 17 HA ALA 17 3.502 14.055 3.499 117 1HB ALA 17 1HB ALA 17 0.605 13.577 4.155 118 2HB ALA 17 2HB ALA 17 1.526 15.052 4.450 119 3HB ALA 17 3HB ALA 17 1.912 13.579 5.339 120 H ALA 18 H ALA 18 4.148 12.265 1.841 121 HA ALA 18 HA ALA 18 3.039 9.689 2.068 122 1HB ALA 18 1HB ALA 18 4.856 8.930 0.800 123 2HB ALA 18 2HB ALA 18 5.921 10.201 1.400 124 3HB ALA 18 3HB ALA 18 4.621 10.598 0.277 125 H ALA 19 H ALA 19 3.420 8.011 3.394 126 HA ALA 19 HA ALA 19 5.670 7.869 5.151 127 1HB ALA 19 1HB ALA 19 3.959 9.543 6.185 128 2HB ALA 19 2HB ALA 19 4.732 8.330 7.204 129 3HB ALA 19 3HB ALA 19 3.085 8.077 6.628 130 H ARG 20 H ARG 20 2.406 6.750 4.388 131 HA ARG 20 HA ARG 20 3.285 4.001 4.991 132 1HB ARG 20 2HB ARG 20 0.401 4.833 5.088 133 2HB ARG 20 1HB ARG 20 1.179 3.436 5.830 134 1HG ARG 20 2HG ARG 20 2.383 5.735 6.938 135 2HG ARG 20 1HG ARG 20 0.640 6.003 6.948 136 1HD ARG 20 2HD ARG 20 0.536 4.737 8.774 137 2HD ARG 20 1HD ARG 20 0.991 3.359 7.776 138 HE ARG 20 HE ARG 20 3.173 3.526 8.557 139 1HH1 ARG 20 1HH1 ARG 20 1.215 6.132 9.816 140 2HH1 ARG 20 2HH1 ARG 20 2.363 6.565 11.037 141 1HH2 ARG 20 1HH2 ARG 20 4.680 4.101 10.159 142 2HH2 ARG 20 2HH2 ARG 20 4.329 5.416 11.230 143 H TYR 21 H TYR 21 1.502 2.465 3.897 144 HA TYR 21 HA TYR 21 1.155 3.332 1.100 145 1HB TYR 21 2HB TYR 21 2.213 0.645 2.004 146 2HB TYR 21 1HB TYR 21 1.865 1.103 0.341 147 HD1 TYR 21 1HD TYR 21 3.557 1.983 -0.976 148 HD2 TYR 21 2HD TYR 21 3.961 2.123 3.257 149 HE1 TYR 21 1HE TYR 21 5.856 2.815 -1.230 150 HE2 TYR 21 2HE TYR 21 6.262 2.957 3.015 151 HH TYR 21 HH TYR 21 7.476 4.231 0.253 152 H PHE 22 H PHE 22 -0.325 1.840 -0.116 153 HA PHE 22 HA PHE 22 -2.269 0.444 1.568 154 1HB PHE 22 2HB PHE 22 -4.156 1.550 0.371 155 2HB PHE 22 1HB PHE 22 -3.267 2.611 1.444 156 HD1 PHE 22 1HD PHE 22 -1.675 4.275 0.483 157 HD2 PHE 22 2HD PHE 22 -4.296 1.966 -1.945 158 HE1 PHE 22 1HE PHE 22 -1.332 5.848 -1.375 159 HE2 PHE 22 2HE PHE 22 -3.959 3.536 -3.809 160 HZ PHE 22 HZ PHE 22 -2.474 5.480 -3.524 161 H TYR 23 H TYR 23 -3.580 -1.023 0.436 162 HA TYR 23 HA TYR 23 -2.257 -2.081 -1.936 163 1HB TYR 23 2HB TYR 23 -2.892 -3.614 -0.122 164 2HB TYR 23 1HB TYR 23 -4.593 -3.198 -0.366 165 HD1 TYR 23 1HD TYR 23 -1.652 -4.829 -1.894 166 HD2 TYR 23 2HD TYR 23 -5.854 -4.207 -2.113 167 HE1 TYR 23 1HE TYR 23 -1.819 -6.602 -3.588 168 HE2 TYR 23 2HE TYR 23 -6.035 -5.984 -3.805 169 HH TYR 23 HH TYR 23 -3.191 -7.840 -4.844 170 H ASN 24 H ASN 24 -3.178 -2.329 -3.936 171 HA ASN 24 HA ASN 24 -5.683 -0.840 -4.411 172 1HB ASN 24 2HB ASN 24 -3.662 0.214 -5.384 173 2HB ASN 24 1HB ASN 24 -3.358 -1.260 -6.306 174 1HD2 ASN 24 1HD2 ASN 24 -3.770 1.379 -7.313 175 2HD2 ASN 24 2HD2 ASN 24 -5.174 1.314 -8.327 176 H ALA 25 H ALA 25 -7.220 -2.400 -4.483 177 HA ALA 25 HA ALA 25 -6.910 -5.033 -5.318 178 1HB ALA 25 1HB ALA 25 -9.515 -3.621 -5.698 179 2HB ALA 25 2HB ALA 25 -8.862 -3.849 -4.077 180 3HB ALA 25 3HB ALA 25 -9.197 -5.247 -5.098 181 H LYS 26 H LYS 26 -7.377 -2.152 -7.216 182 HA LYS 26 HA LYS 26 -8.093 -3.627 -9.609 183 1HB LYS 26 2HB LYS 26 -8.535 -1.034 -8.710 184 2HB LYS 26 1HB LYS 26 -7.382 -0.840 -10.023 185 1HG LYS 26 2HG LYS 26 -9.990 -2.330 -10.226 186 2HG LYS 26 1HG LYS 26 -9.724 -0.668 -10.757 187 1HD LYS 26 2HD LYS 26 -7.874 -1.579 -12.228 188 2HD LYS 26 1HD LYS 26 -8.492 -3.187 -11.849 189 1HE LYS 26 2HE LYS 26 -10.657 -1.481 -12.635 190 2HE LYS 26 1HE LYS 26 -9.380 -1.417 -13.849 191 1HZ LYS 26 1HZ LYS 26 -11.226 -3.268 -13.888 192 2HZ LYS 26 2HZ LYS 26 -10.161 -4.045 -12.829 193 3HZ LYS 26 3HZ LYS 26 -9.640 -3.597 -14.375 194 H ALA 27 H ALA 27 -5.185 -2.706 -8.086 195 HA ALA 27 HA ALA 27 -3.732 -2.956 -10.641 196 1HB ALA 27 1HB ALA 27 -3.100 -0.876 -9.933 197 2HB ALA 27 2HB ALA 27 -1.850 -1.860 -9.173 198 3HB ALA 27 3HB ALA 27 -3.224 -1.296 -8.226 199 H GLY 28 H GLY 28 -4.340 -4.453 -7.659 200 1HA GLY 28 2HA GLY 28 -3.638 -6.472 -6.866 201 2HA GLY 28 1HA GLY 28 -2.622 -6.588 -8.278 202 H LEU 29 H LEU 29 -1.715 -3.742 -7.116 203 HA LEU 29 HA LEU 29 0.200 -4.861 -5.187 204 1HB LEU 29 2HB LEU 29 0.690 -3.177 -7.604 205 2HB LEU 29 1HB LEU 29 1.733 -2.977 -6.209 206 HG LEU 29 HG LEU 29 1.785 -5.682 -6.503 207 1HD1 LEU 29 1HD1 LEU 29 0.503 -4.963 -8.775 208 2HD1 LEU 29 2HD1 LEU 29 1.515 -6.399 -8.614 209 3HD1 LEU 29 3HD1 LEU 29 2.183 -4.923 -9.311 210 1HD2 LEU 29 1HD2 LEU 29 3.562 -3.584 -7.734 211 2HD2 LEU 29 2HD2 LEU 29 3.979 -5.296 -7.638 212 3HD2 LEU 29 3HD2 LEU 29 3.744 -4.362 -6.162 213 H CYS 30 H CYS 30 1.417 -2.894 -4.094 214 HA CYS 30 HA CYS 30 -0.704 -1.133 -3.105 215 1HB CYS 30 2HB CYS 30 1.941 -1.292 -1.752 216 2HB CYS 30 1HB CYS 30 0.342 -1.040 -1.069 217 H GLN 31 H GLN 31 0.060 1.040 -2.339 218 HA GLN 31 HA GLN 31 2.229 2.199 -3.864 219 1HB GLN 31 2HB GLN 31 0.321 2.243 -5.435 220 2HB GLN 31 1HB GLN 31 -0.601 3.172 -4.262 221 1HG GLN 31 2HG GLN 31 0.169 4.975 -5.296 222 2HG GLN 31 1HG GLN 31 1.716 4.627 -4.523 223 1HE2 GLN 31 1HE2 GLN 31 3.407 3.946 -5.745 224 2HE2 GLN 31 2HE2 GLN 31 3.356 3.785 -7.464 225 H THR 32 H THR 32 2.975 4.134 -3.043 226 HA THR 32 HA THR 32 2.154 4.732 -0.345 227 HB THR 32 HB THR 32 4.561 4.851 -1.602 228 HG1 THR 32 1HG THR 32 3.945 4.986 0.711 229 1HG2 THR 32 1HG2 THR 32 4.084 6.849 -2.879 230 2HG2 THR 32 2HG2 THR 32 5.293 7.182 -1.639 231 3HG2 THR 32 3HG2 THR 32 3.626 7.705 -1.406 232 H PHE 33 H PHE 33 1.281 6.646 0.405 233 HA PHE 33 HA PHE 33 -0.686 7.844 -1.170 234 1HB PHE 33 2HB PHE 33 0.609 8.825 1.385 235 2HB PHE 33 1HB PHE 33 -0.850 9.515 0.678 236 HD1 PHE 33 1HD PHE 33 -2.952 8.499 0.974 237 HD2 PHE 33 2HD PHE 33 0.583 6.460 2.171 238 HE1 PHE 33 1HE PHE 33 -4.320 6.799 2.109 239 HE2 PHE 33 2HE PHE 33 -0.776 4.758 3.311 240 HZ PHE 33 HZ PHE 33 -3.233 4.924 3.277 241 H ALA 34 H ALA 34 -0.756 9.595 -2.459 242 HA ALA 34 HA ALA 34 1.179 11.696 -2.388 243 1HB ALA 34 1HB ALA 34 1.964 11.307 -4.761 244 2HB ALA 34 2HB ALA 34 1.323 9.672 -4.607 245 3HB ALA 34 3HB ALA 34 2.617 10.215 -3.540 246 H TYR 35 H TYR 35 0.826 13.200 -4.363 247 HA TYR 35 HA TYR 35 -0.622 14.614 -5.422 248 1HB TYR 35 2HB TYR 35 -0.793 12.320 -6.732 249 2HB TYR 35 1HB TYR 35 -2.431 12.325 -6.088 250 HD1 TYR 35 1HD TYR 35 -0.657 13.049 -8.903 251 HD2 TYR 35 2HD TYR 35 -3.490 14.882 -6.312 252 HE1 TYR 35 1HE TYR 35 -1.354 14.538 -10.730 253 HE2 TYR 35 2HE TYR 35 -4.197 16.376 -8.133 254 HH TYR 35 HH TYR 35 -3.438 17.244 -10.205 255 H GLY 36 H GLY 36 -1.058 15.051 -3.014 256 1HA GLY 36 2HA GLY 36 -2.471 15.656 -1.371 257 2HA GLY 36 1HA GLY 36 -3.603 15.881 -2.671 258 H ALA 37 H ALA 37 -2.720 12.626 -2.570 259 HA ALA 37 HA ALA 37 -5.289 11.809 -1.723 260 1HB ALA 37 1HB ALA 37 -4.019 10.419 -3.220 261 2HB ALA 37 2HB ALA 37 -4.329 9.521 -1.734 262 3HB ALA 37 3HB ALA 37 -2.738 10.229 -2.021 263 H CYS 38 H CYS 38 -6.101 11.513 0.235 264 HA CYS 38 HA CYS 38 -4.411 11.885 2.558 265 1HB CYS 38 2HB CYS 38 -7.145 12.366 1.937 266 2HB CYS 38 1HB CYS 38 -7.102 11.214 3.265 267 H ALA 39 H ALA 39 -5.049 10.480 4.526 268 HA ALA 39 HA ALA 39 -4.237 7.815 3.943 269 1HB ALA 39 1HB ALA 39 -5.213 8.018 6.607 270 2HB ALA 39 2HB ALA 39 -4.320 9.487 6.215 271 3HB ALA 39 3HB ALA 39 -3.546 7.912 6.044 272 H ALA 40 H ALA 40 -5.413 6.033 3.618 273 HA ALA 40 HA ALA 40 -8.259 6.208 3.411 274 1HB ALA 40 1HB ALA 40 -6.341 3.899 3.157 275 2HB ALA 40 2HB ALA 40 -7.147 4.786 1.863 276 3HB ALA 40 3HB ALA 40 -8.083 3.739 2.931 277 H LYS 41 H LYS 41 -9.704 4.565 4.503 278 HA LYS 41 HA LYS 41 -9.544 4.882 7.291 279 1HB LYS 41 2HB LYS 41 -11.510 4.116 5.525 280 2HB LYS 41 1HB LYS 41 -11.211 2.632 6.418 281 1HG LYS 41 2HG LYS 41 -11.843 3.572 8.445 282 2HG LYS 41 1HG LYS 41 -11.644 5.222 7.849 283 1HD LYS 41 2HD LYS 41 -13.535 4.561 6.187 284 2HD LYS 41 1HD LYS 41 -13.866 3.281 7.355 285 1HE LYS 41 2HE LYS 41 -13.973 5.064 9.123 286 2HE LYS 41 1HE LYS 41 -13.901 6.256 7.824 287 1HZ LYS 41 1HZ LYS 41 -16.081 4.479 8.599 288 2HZ LYS 41 2HZ LYS 41 -15.891 4.772 6.944 289 3HZ LYS 41 3HZ LYS 41 -16.134 6.063 8.009 290 H ARG 42 H ARG 42 -9.811 1.641 5.856 291 HA ARG 42 HA ARG 42 -8.023 0.652 7.921 292 1HB ARG 42 2HB ARG 42 -8.785 -1.604 7.135 293 2HB ARG 42 1HB ARG 42 -10.055 -0.566 7.764 294 1HG ARG 42 2HG ARG 42 -9.914 -0.093 4.985 295 2HG ARG 42 1HG ARG 42 -9.866 -1.839 5.225 296 1HD ARG 42 2HD ARG 42 -11.816 -0.984 6.992 297 2HD ARG 42 1HD ARG 42 -12.069 0.024 5.568 298 HE ARG 42 HE ARG 42 -11.781 -2.557 4.639 299 1HH1 ARG 42 1HH1 ARG 42 -13.954 -0.856 6.774 300 2HH1 ARG 42 2HH1 ARG 42 -15.306 -1.878 6.418 301 1HH2 ARG 42 1HH2 ARG 42 -13.557 -3.905 4.168 302 2HH2 ARG 42 2HH2 ARG 42 -15.080 -3.611 4.938 303 H ASN 43 H ASN 43 -8.066 1.193 4.494 304 HA ASN 43 HA ASN 43 -5.972 -0.608 3.835 305 1HB ASN 43 2HB ASN 43 -7.823 0.928 2.444 306 2HB ASN 43 1HB ASN 43 -6.281 1.687 2.053 307 1HD2 ASN 43 1HD2 ASN 43 -7.648 -1.481 2.503 308 2HD2 ASN 43 2HD2 ASN 43 -6.924 -2.225 1.107 309 H ASN 44 H ASN 44 -4.449 -0.002 5.540 310 HA ASN 44 HA ASN 44 -2.579 2.004 4.610 311 1HB ASN 44 2HB ASN 44 -3.785 2.221 7.372 312 2HB ASN 44 1HB ASN 44 -2.482 3.212 6.729 313 1HD2 ASN 44 1HD2 ASN 44 -3.015 5.075 5.857 314 2HD2 ASN 44 2HD2 ASN 44 -4.593 5.526 5.316 315 H PHE 45 H PHE 45 -0.830 0.671 4.496 316 HA PHE 45 HA PHE 45 -0.256 -1.050 6.807 317 1HB PHE 45 2HB PHE 45 0.732 -1.110 3.946 318 2HB PHE 45 1HB PHE 45 1.400 -2.124 5.228 319 HD1 PHE 45 1HD PHE 45 -1.282 -1.681 2.868 320 HD2 PHE 45 2HD PHE 45 -0.090 -3.772 6.378 321 HE1 PHE 45 1HE PHE 45 -3.074 -3.325 2.493 322 HE2 PHE 45 2HE PHE 45 -1.879 -5.420 6.007 323 HZ PHE 45 HZ PHE 45 -3.370 -5.198 4.062 324 H LYS 46 H LYS 46 1.638 -0.823 7.950 325 HA LYS 46 HA LYS 46 2.808 1.713 8.068 326 1HB LYS 46 2HB LYS 46 2.815 -0.516 9.666 327 2HB LYS 46 1HB LYS 46 4.485 -0.448 9.119 328 1HG LYS 46 2HG LYS 46 4.537 1.942 9.870 329 2HG LYS 46 1HG LYS 46 2.953 1.674 10.599 330 1HD LYS 46 2HD LYS 46 4.651 -0.445 11.422 331 2HD LYS 46 1HD LYS 46 5.530 1.067 11.653 332 1HE LYS 46 2HE LYS 46 2.748 0.500 12.670 333 2HE LYS 46 1HE LYS 46 4.219 0.409 13.637 334 1HZ LYS 46 1HZ LYS 46 3.915 2.548 14.078 335 2HZ LYS 46 2HZ LYS 46 2.664 2.685 12.949 336 3HZ LYS 46 3HZ LYS 46 4.270 2.896 12.460 337 H SER 47 H SER 47 3.444 -0.837 5.913 338 HA SER 47 HA SER 47 5.482 0.665 4.599 339 1HB SER 47 2HB SER 47 6.906 -1.705 4.891 340 2HB SER 47 1HB SER 47 7.260 -0.176 5.692 341 HG SER 47 HG SER 47 5.667 -2.297 6.692 342 H ALA 48 H ALA 48 6.082 -0.238 2.546 343 HA ALA 48 HA ALA 48 3.988 -1.558 1.226 344 1HB ALA 48 1HB ALA 48 6.248 -2.082 -0.309 345 2HB ALA 48 2HB ALA 48 6.645 -0.587 0.539 346 3HB ALA 48 3HB ALA 48 5.191 -0.679 -0.453 347 H GLU 49 H GLU 49 6.942 -2.724 2.737 348 HA GLU 49 HA GLU 49 6.780 -5.400 1.881 349 1HB GLU 49 2HB GLU 49 8.070 -3.988 4.186 350 2HB GLU 49 1HB GLU 49 7.951 -5.741 4.238 351 1HG GLU 49 2HG GLU 49 9.096 -5.809 2.024 352 2HG GLU 49 1HG GLU 49 9.350 -4.070 2.167 353 H ASP 50 H ASP 50 5.299 -3.555 4.468 354 HA ASP 50 HA ASP 50 4.073 -5.739 5.804 355 1HB ASP 50 2HB ASP 50 3.990 -2.814 5.956 356 2HB ASP 50 1HB ASP 50 2.447 -3.576 6.333 357 H CYS 51 H CYS 51 2.842 -3.394 3.372 358 HA CYS 51 HA CYS 51 0.245 -4.493 3.212 359 1HB CYS 51 2HB CYS 51 0.667 -2.303 2.316 360 2HB CYS 51 1HB CYS 51 1.909 -2.925 1.231 361 H LEU 52 H LEU 52 3.038 -4.956 1.044 362 HA LEU 52 HA LEU 52 1.942 -6.817 -0.658 363 1HB LEU 52 2HB LEU 52 4.770 -6.494 0.327 364 2HB LEU 52 1HB LEU 52 4.332 -7.667 -0.900 365 HG LEU 52 HG LEU 52 3.877 -4.696 -1.158 366 1HD1 LEU 52 1HD1 LEU 52 5.916 -6.197 -2.727 367 2HD1 LEU 52 2HD1 LEU 52 6.308 -5.665 -1.091 368 3HD1 LEU 52 3HD1 LEU 52 5.845 -4.483 -2.315 369 1HD2 LEU 52 1HD2 LEU 52 3.209 -7.058 -2.797 370 2HD2 LEU 52 2HD2 LEU 52 3.869 -5.668 -3.660 371 3HD2 LEU 52 3HD2 LEU 52 2.412 -5.489 -2.684 372 H ARG 53 H ARG 53 3.795 -7.484 2.323 373 HA ARG 53 HA ARG 53 3.564 -10.264 2.252 374 1HB ARG 53 2HB ARG 53 3.963 -8.284 4.470 375 2HB ARG 53 1HB ARG 53 3.735 -9.986 4.842 376 1HG ARG 53 2HG ARG 53 5.679 -9.796 2.784 377 2HG ARG 53 1HG ARG 53 6.103 -8.643 4.052 378 1HD ARG 53 2HD ARG 53 5.253 -11.176 5.159 379 2HD ARG 53 1HD ARG 53 6.598 -11.383 4.041 380 HE ARG 53 HE ARG 53 7.605 -9.467 5.468 381 1HH1 ARG 53 1HH1 ARG 53 5.652 -12.114 6.657 382 2HH1 ARG 53 2HH1 ARG 53 6.379 -12.101 8.226 383 1HH2 ARG 53 1HH2 ARG 53 8.558 -9.463 7.531 384 2HH2 ARG 53 2HH2 ARG 53 8.025 -10.601 8.722 385 H THR 54 H THR 54 1.350 -7.801 3.427 386 HA THR 54 HA THR 54 -0.446 -9.706 4.617 387 HB THR 54 HB THR 54 -0.954 -6.796 3.987 388 HG1 THR 54 1HG THR 54 -0.209 -6.414 6.074 389 1HG2 THR 54 1HG2 THR 54 -2.940 -7.089 4.904 390 2HG2 THR 54 2HG2 THR 54 -2.162 -7.626 6.394 391 3HG2 THR 54 3HG2 THR 54 -2.598 -8.801 5.153 392 H CYS 55 H CYS 55 -1.129 -7.279 2.075 393 HA CYS 55 HA CYS 55 -3.090 -9.123 0.986 394 1HB CYS 55 2HB CYS 55 -3.662 -6.727 1.515 395 2HB CYS 55 1HB CYS 55 -2.641 -6.265 0.156 396 H GLY 56 H GLY 56 0.014 -7.818 0.193 397 1HA GLY 56 2HA GLY 56 0.088 -7.840 -2.549 398 2HA GLY 56 1HA GLY 56 1.438 -8.346 -1.548 399 H GLY 57 H GLY 57 -1.088 -9.354 -3.652 400 1HA GLY 57 2HA GLY 57 -0.043 -12.114 -3.509 401 2HA GLY 57 1HA GLY 57 -1.777 -11.817 -3.526 402 H ALA 58 H ALA 58 -1.514 -13.293 -5.441 403 HA ALA 58 HA ALA 58 -1.348 -13.694 -7.688 404 1HB ALA 58 1HB ALA 58 -3.085 -11.581 -7.189 405 2HB ALA 58 2HB ALA 58 -3.019 -12.581 -8.640 406 3HB ALA 58 3HB ALA 58 -2.129 -11.060 -8.576 Start of MODEL 9 1 1H ARG 1 1HT ARG 1 -9.345 -12.661 -0.243 2 2H ARG 1 2HT ARG 1 -8.396 -12.804 -1.666 3 3H ARG 1 3HT ARG 1 -9.848 -11.889 -1.688 4 HA ARG 1 HA ARG 1 -7.292 -11.276 -0.396 5 1HB ARG 1 2HB ARG 1 -9.085 -9.615 -2.165 6 2HB ARG 1 1HB ARG 1 -7.407 -9.305 -1.742 7 1HG ARG 1 2HG ARG 1 -6.929 -10.222 -3.714 8 2HG ARG 1 1HG ARG 1 -7.254 -11.765 -2.921 9 1HD ARG 1 2HD ARG 1 -8.531 -11.784 -4.902 10 2HD ARG 1 1HD ARG 1 -9.673 -11.446 -3.603 11 HE ARG 1 HE ARG 1 -10.056 -9.383 -4.518 12 1HH1 ARG 1 1HH1 ARG 1 -7.160 -10.725 -5.928 13 2HH1 ARG 1 2HH1 ARG 1 -7.018 -9.485 -7.128 14 1HH2 ARG 1 1HH2 ARG 1 -9.871 -7.750 -6.094 15 2HH2 ARG 1 2HH2 ARG 1 -8.558 -7.795 -7.222 16 HA PRO 2 HA PRO 2 -9.384 -9.477 3.043 17 1HB PRO 2 2HB PRO 2 -7.438 -7.284 3.045 18 2HB PRO 2 1HB PRO 2 -7.724 -8.533 4.262 19 1HG PRO 2 2HG PRO 2 -5.514 -8.482 2.678 20 2HG PRO 2 1HG PRO 2 -6.219 -9.973 3.330 21 1HD PRO 2 2HD PRO 2 -6.360 -8.858 0.576 22 2HD PRO 2 1HD PRO 2 -6.333 -10.547 1.116 23 H ASP 3 H ASP 3 -11.058 -8.141 3.252 24 HA ASP 3 HA ASP 3 -12.170 -6.709 1.211 25 1HB ASP 3 2HB ASP 3 -12.640 -7.022 4.040 26 2HB ASP 3 1HB ASP 3 -13.011 -5.376 3.537 27 H PHE 4 H PHE 4 -10.476 -5.178 3.960 28 HA PHE 4 HA PHE 4 -10.624 -2.566 3.146 29 1HB PHE 4 2HB PHE 4 -8.341 -2.321 4.345 30 2HB PHE 4 1HB PHE 4 -9.741 -2.865 5.272 31 HD1 PHE 4 1HD PHE 4 -6.547 -3.843 3.786 32 HD2 PHE 4 2HD PHE 4 -9.869 -5.103 6.122 33 HE1 PHE 4 1HE PHE 4 -5.298 -5.846 4.474 34 HE2 PHE 4 2HE PHE 4 -8.628 -7.108 6.813 35 HZ PHE 4 HZ PHE 4 -6.339 -7.481 5.989 36 H CYS 5 H CYS 5 -8.636 -5.054 1.765 37 HA CYS 5 HA CYS 5 -6.655 -3.468 0.571 38 1HB CYS 5 2HB CYS 5 -7.837 -6.068 -0.402 39 2HB CYS 5 1HB CYS 5 -6.362 -5.331 -0.997 40 H LEU 6 H LEU 6 -9.960 -4.013 -0.197 41 HA LEU 6 HA LEU 6 -9.774 -2.972 -2.894 42 1HB LEU 6 2HB LEU 6 -12.347 -3.279 -1.391 43 2HB LEU 6 1HB LEU 6 -12.044 -3.457 -3.108 44 HG LEU 6 HG LEU 6 -11.113 -5.407 -0.996 45 1HD1 LEU 6 1HD1 LEU 6 -12.931 -6.740 -2.486 46 2HD1 LEU 6 2HD1 LEU 6 -13.643 -5.127 -2.466 47 3HD1 LEU 6 3HD1 LEU 6 -13.291 -5.953 -0.949 48 1HD2 LEU 6 1HD2 LEU 6 -9.938 -5.085 -3.335 49 2HD2 LEU 6 2HD2 LEU 6 -11.319 -6.025 -3.901 50 3HD2 LEU 6 3HD2 LEU 6 -10.240 -6.694 -2.676 51 H GLU 7 H GLU 7 -9.993 -1.663 0.228 52 HA GLU 7 HA GLU 7 -11.577 0.631 -0.341 53 1HB GLU 7 2HB GLU 7 -10.722 -0.529 1.943 54 2HB GLU 7 1HB GLU 7 -9.570 0.795 1.825 55 1HG GLU 7 2HG GLU 7 -11.078 2.286 2.470 56 2HG GLU 7 1HG GLU 7 -12.272 1.686 1.320 57 HA PRO 8 HA PRO 8 -8.161 2.824 -2.278 58 1HB PRO 8 2HB PRO 8 -9.624 4.382 -3.859 59 2HB PRO 8 1HB PRO 8 -9.518 2.644 -4.165 60 1HG PRO 8 2HG PRO 8 -11.747 4.228 -3.001 61 2HG PRO 8 1HG PRO 8 -11.806 2.760 -3.991 62 1HD PRO 8 2HD PRO 8 -11.991 2.940 -1.157 63 2HD PRO 8 1HD PRO 8 -11.886 1.463 -2.135 64 HA PRO 9 HA PRO 9 -8.134 6.513 0.220 65 1HB PRO 9 2HB PRO 9 -6.157 7.895 -0.937 66 2HB PRO 9 1HB PRO 9 -5.833 6.379 -0.083 67 1HG PRO 9 2HG PRO 9 -6.134 6.862 -3.025 68 2HG PRO 9 1HG PRO 9 -4.914 5.910 -2.170 69 1HD PRO 9 2HD PRO 9 -7.101 4.806 -3.363 70 2HD PRO 9 1HD PRO 9 -6.300 4.092 -1.947 71 H TYR 10 H TYR 10 -8.952 8.585 0.244 72 HA TYR 10 HA TYR 10 -10.392 9.401 -2.137 73 1HB TYR 10 2HB TYR 10 -11.270 11.239 -0.646 74 2HB TYR 10 1HB TYR 10 -11.660 9.604 -0.140 75 HD1 TYR 10 1HD TYR 10 -10.248 12.731 0.831 76 HD2 TYR 10 2HD TYR 10 -10.222 8.572 1.729 77 HE1 TYR 10 1HE TYR 10 -9.376 13.226 3.078 78 HE2 TYR 10 2HE TYR 10 -9.346 9.056 3.975 79 HH TYR 10 HH TYR 10 -9.177 12.278 5.231 80 H ALA 11 H ALA 11 -9.806 10.958 -3.501 81 HA ALA 11 HA ALA 11 -7.293 12.364 -2.973 82 1HB ALA 11 1HB ALA 11 -6.862 12.175 -5.156 83 2HB ALA 11 2HB ALA 11 -8.470 12.740 -5.613 84 3HB ALA 11 3HB ALA 11 -8.213 11.044 -5.202 85 H GLY 12 H GLY 12 -8.062 13.981 -1.575 86 1HA GLY 12 2HA GLY 12 -8.567 16.452 -2.476 87 2HA GLY 12 1HA GLY 12 -10.180 15.752 -2.505 88 H ALA 13 H ALA 13 -9.218 17.978 -0.923 89 HA ALA 13 HA ALA 13 -9.397 18.809 1.187 90 1HB ALA 13 1HB ALA 13 -10.802 16.439 2.246 91 2HB ALA 13 2HB ALA 13 -11.542 17.225 0.851 92 3HB ALA 13 3HB ALA 13 -11.237 18.146 2.324 93 H CYS 14 H CYS 14 -7.063 17.331 0.563 94 HA CYS 14 HA CYS 14 -6.075 16.847 3.203 95 1HB CYS 14 2HB CYS 14 -7.188 14.714 2.681 96 2HB CYS 14 1HB CYS 14 -6.153 14.533 1.277 97 H ARG 15 H ARG 15 -3.712 16.396 3.166 98 HA ARG 15 HA ARG 15 -2.320 16.730 0.663 99 1HB ARG 15 2HB ARG 15 -3.031 19.047 1.295 100 2HB ARG 15 1HB ARG 15 -2.039 18.899 2.739 101 1HG ARG 15 2HG ARG 15 -0.313 19.649 1.579 102 2HG ARG 15 1HG ARG 15 -0.385 18.192 0.589 103 1HD ARG 15 2HD ARG 15 -0.919 19.445 -1.164 104 2HD ARG 15 1HD ARG 15 -2.413 19.907 -0.350 105 HE ARG 15 HE ARG 15 -0.087 21.435 0.422 106 1HH1 ARG 15 1HH1 ARG 15 -2.807 21.199 -1.755 107 2HH1 ARG 15 2HH1 ARG 15 -2.824 22.892 -2.116 108 1HH2 ARG 15 1HH2 ARG 15 -0.108 23.661 -0.054 109 2HH2 ARG 15 2HH2 ARG 15 -1.290 24.289 -1.153 110 H ALA 16 H ALA 16 -0.336 15.867 0.731 111 HA ALA 16 HA ALA 16 1.563 14.884 1.501 112 1HB ALA 16 1HB ALA 16 1.935 15.570 4.124 113 2HB ALA 16 2HB ALA 16 0.976 16.917 3.512 114 3HB ALA 16 3HB ALA 16 2.501 16.494 2.733 115 H ALA 17 H ALA 17 1.618 12.776 1.844 116 HA ALA 17 HA ALA 17 0.792 11.627 4.272 117 1HB ALA 17 1HB ALA 17 -1.378 11.787 3.069 118 2HB ALA 17 2HB ALA 17 -0.915 10.139 3.484 119 3HB ALA 17 3HB ALA 17 -0.713 10.721 1.832 120 H ALA 18 H ALA 18 3.213 11.776 3.131 121 HA ALA 18 HA ALA 18 3.934 9.542 1.538 122 1HB ALA 18 1HB ALA 18 5.909 10.868 3.327 123 2HB ALA 18 2HB ALA 18 5.175 11.799 2.022 124 3HB ALA 18 3HB ALA 18 6.082 10.331 1.655 125 H ALA 19 H ALA 19 6.083 8.410 2.660 126 HA ALA 19 HA ALA 19 6.634 6.529 3.830 127 1HB ALA 19 1HB ALA 19 6.489 6.794 6.288 128 2HB ALA 19 2HB ALA 19 5.522 8.249 6.039 129 3HB ALA 19 3HB ALA 19 7.190 8.190 5.471 130 H ARG 20 H ARG 20 3.841 6.617 2.726 131 HA ARG 20 HA ARG 20 2.849 4.358 4.286 132 1HB ARG 20 2HB ARG 20 1.060 6.648 3.469 133 2HB ARG 20 1HB ARG 20 0.564 5.180 4.306 134 1HG ARG 20 2HG ARG 20 1.589 5.825 6.299 135 2HG ARG 20 1HG ARG 20 2.598 7.030 5.501 136 1HD ARG 20 2HD ARG 20 1.083 8.500 6.231 137 2HD ARG 20 1HD ARG 20 0.101 7.919 4.892 138 HE ARG 20 HE ARG 20 -0.963 6.392 6.495 139 1HH1 ARG 20 1HH1 ARG 20 0.727 9.189 7.755 140 2HH1 ARG 20 2HH1 ARG 20 -0.173 9.211 9.232 141 1HH2 ARG 20 1HH2 ARG 20 -2.134 6.436 8.440 142 2HH2 ARG 20 2HH2 ARG 20 -1.791 7.654 9.621 143 H TYR 21 H TYR 21 1.277 3.061 3.139 144 HA TYR 21 HA TYR 21 1.176 3.477 0.243 145 1HB TYR 21 2HB TYR 21 1.988 0.831 1.456 146 2HB TYR 21 1HB TYR 21 1.899 1.234 -0.253 147 HD1 TYR 21 1HD TYR 21 3.635 2.397 2.851 148 HD2 TYR 21 2HD TYR 21 3.863 1.727 -1.343 149 HE1 TYR 21 1HE TYR 21 6.014 3.012 2.888 150 HE2 TYR 21 2HE TYR 21 6.243 2.343 -1.319 151 HH TYR 21 HH TYR 21 8.032 2.761 -0.001 152 H PHE 22 H PHE 22 -0.230 1.711 -0.783 153 HA PHE 22 HA PHE 22 -2.296 0.619 0.939 154 1HB PHE 22 2HB PHE 22 -4.132 1.619 -0.404 155 2HB PHE 22 1HB PHE 22 -3.243 2.797 0.540 156 HD1 PHE 22 1HD PHE 22 -4.342 1.817 -2.714 157 HD2 PHE 22 2HD PHE 22 -1.503 4.212 -0.638 158 HE1 PHE 22 1HE PHE 22 -3.949 3.120 -4.763 159 HE2 PHE 22 2HE PHE 22 -1.107 5.520 -2.682 160 HZ PHE 22 HZ PHE 22 -2.329 4.975 -4.748 161 H TYR 23 H TYR 23 -3.667 -0.889 -0.182 162 HA TYR 23 HA TYR 23 -2.191 -2.252 -2.280 163 1HB TYR 23 2HB TYR 23 -3.189 -3.559 -0.468 164 2HB TYR 23 1HB TYR 23 -4.801 -3.015 -0.946 165 HD1 TYR 23 1HD TYR 23 -1.833 -4.907 -2.141 166 HD2 TYR 23 2HD TYR 23 -6.002 -4.194 -2.589 167 HE1 TYR 23 1HE TYR 23 -1.986 -6.807 -3.694 168 HE2 TYR 23 2HE TYR 23 -6.168 -6.095 -4.139 169 HH TYR 23 HH TYR 23 -3.654 -8.364 -4.539 170 H ASN 24 H ASN 24 -2.761 -2.477 -4.360 171 HA ASN 24 HA ASN 24 -5.005 -0.832 -5.319 172 1HB ASN 24 2HB ASN 24 -2.775 -0.204 -6.160 173 2HB ASN 24 1HB ASN 24 -2.560 -1.832 -6.807 174 1HD2 ASN 24 1HD2 ASN 24 -2.584 0.778 -8.116 175 2HD2 ASN 24 2HD2 ASN 24 -3.793 0.657 -9.353 176 H ALA 25 H ALA 25 -6.664 -2.333 -5.089 177 HA ALA 25 HA ALA 25 -6.627 -5.019 -5.742 178 1HB ALA 25 1HB ALA 25 -8.482 -3.428 -4.699 179 2HB ALA 25 2HB ALA 25 -8.877 -4.992 -5.412 180 3HB ALA 25 3HB ALA 25 -9.111 -3.514 -6.345 181 H LYS 26 H LYS 26 -6.635 -2.291 -7.861 182 HA LYS 26 HA LYS 26 -7.492 -3.854 -10.163 183 1HB LYS 26 2HB LYS 26 -7.586 -1.125 -9.460 184 2HB LYS 26 1HB LYS 26 -6.512 -1.237 -10.848 185 1HG LYS 26 2HG LYS 26 -8.403 -2.690 -11.871 186 2HG LYS 26 1HG LYS 26 -9.408 -1.929 -10.637 187 1HD LYS 26 2HD LYS 26 -8.317 0.274 -11.552 188 2HD LYS 26 1HD LYS 26 -8.032 -0.710 -12.988 189 1HE LYS 26 2HE LYS 26 -10.102 0.348 -13.356 190 2HE LYS 26 1HE LYS 26 -10.496 -1.307 -12.891 191 1HZ LYS 26 1HZ LYS 26 -10.681 1.133 -11.217 192 2HZ LYS 26 2HZ LYS 26 -10.796 -0.430 -10.581 193 3HZ LYS 26 3HZ LYS 26 -11.940 0.112 -11.704 194 H ALA 27 H ALA 27 -4.612 -3.520 -8.554 195 HA ALA 27 HA ALA 27 -3.124 -4.155 -11.007 196 1HB ALA 27 1HB ALA 27 -1.542 -2.612 -9.102 197 2HB ALA 27 2HB ALA 27 -2.884 -1.713 -9.810 198 3HB ALA 27 3HB ALA 27 -1.680 -2.465 -10.854 199 H GLY 28 H GLY 28 -3.939 -5.124 -7.939 200 1HA GLY 28 2HA GLY 28 -3.285 -6.918 -6.710 201 2HA GLY 28 1HA GLY 28 -2.179 -7.292 -8.003 202 H LEU 29 H LEU 29 -1.225 -4.308 -7.279 203 HA LEU 29 HA LEU 29 0.535 -5.204 -5.094 204 1HB LEU 29 2HB LEU 29 1.166 -4.054 -7.719 205 2HB LEU 29 1HB LEU 29 2.013 -3.301 -6.382 206 HG LEU 29 HG LEU 29 2.639 -5.730 -5.713 207 1HD1 LEU 29 1HD1 LEU 29 2.736 -7.314 -7.506 208 2HD1 LEU 29 2HD1 LEU 29 2.085 -6.136 -8.646 209 3HD1 LEU 29 3HD1 LEU 29 1.070 -6.758 -7.345 210 1HD2 LEU 29 1HD2 LEU 29 4.255 -4.089 -6.449 211 2HD2 LEU 29 2HD2 LEU 29 3.811 -4.366 -8.133 212 3HD2 LEU 29 3HD2 LEU 29 4.598 -5.644 -7.206 213 H CYS 30 H CYS 30 1.680 -3.261 -4.026 214 HA CYS 30 HA CYS 30 -0.391 -1.269 -3.452 215 1HB CYS 30 2HB CYS 30 2.051 -1.424 -1.772 216 2HB CYS 30 1HB CYS 30 0.396 -1.063 -1.317 217 H GLN 31 H GLN 31 0.364 0.903 -2.884 218 HA GLN 31 HA GLN 31 2.820 1.795 -4.137 219 1HB GLN 31 2HB GLN 31 0.098 2.629 -5.124 220 2HB GLN 31 1HB GLN 31 1.544 3.583 -5.421 221 1HG GLN 31 2HG GLN 31 2.529 1.833 -6.700 222 2HG GLN 31 1HG GLN 31 1.257 0.705 -6.237 223 1HE2 GLN 31 1HE2 GLN 31 0.561 0.255 -8.279 224 2HE2 GLN 31 2HE2 GLN 31 -0.221 1.411 -9.298 225 H THR 32 H THR 32 3.271 4.090 -3.702 226 HA THR 32 HA THR 32 2.558 4.778 -1.010 227 HB THR 32 HB THR 32 4.812 5.181 -2.170 228 HG1 THR 32 1HG THR 32 5.115 7.104 -0.955 229 1HG2 THR 32 1HG2 THR 32 3.297 6.740 -3.905 230 2HG2 THR 32 2HG2 THR 32 5.056 6.669 -3.788 231 3HG2 THR 32 3HG2 THR 32 4.160 7.890 -2.884 232 H PHE 33 H PHE 33 1.626 6.809 -0.351 233 HA PHE 33 HA PHE 33 -0.745 7.424 -1.822 234 1HB PHE 33 2HB PHE 33 0.496 8.611 0.655 235 2HB PHE 33 1HB PHE 33 -1.011 9.202 -0.034 236 HD1 PHE 33 1HD PHE 33 0.629 6.312 1.549 237 HD2 PHE 33 2HD PHE 33 -3.042 8.022 0.252 238 HE1 PHE 33 1HE PHE 33 -0.607 4.573 2.770 239 HE2 PHE 33 2HE PHE 33 -4.285 6.288 1.474 240 HZ PHE 33 HZ PHE 33 -3.068 4.560 2.735 241 H ALA 34 H ALA 34 -0.360 8.399 -3.759 242 HA ALA 34 HA ALA 34 1.522 10.548 -4.052 243 1HB ALA 34 1HB ALA 34 1.397 9.552 -6.075 244 2HB ALA 34 2HB ALA 34 0.062 10.679 -6.316 245 3HB ALA 34 3HB ALA 34 -0.264 9.017 -5.825 246 H TYR 35 H TYR 35 0.843 12.683 -4.962 247 HA TYR 35 HA TYR 35 -0.153 14.705 -4.413 248 1HB TYR 35 2HB TYR 35 -2.619 14.682 -5.043 249 2HB TYR 35 1HB TYR 35 -1.491 14.150 -6.281 250 HD1 TYR 35 1HD TYR 35 -1.563 11.931 -7.141 251 HD2 TYR 35 2HD TYR 35 -4.003 13.015 -3.831 252 HE1 TYR 35 1HE TYR 35 -2.823 9.835 -7.391 253 HE2 TYR 35 2HE TYR 35 -5.269 10.924 -4.072 254 HH TYR 35 HH TYR 35 -4.739 8.746 -6.775 255 H GLY 36 H GLY 36 -2.478 15.454 -3.417 256 1HA GLY 36 2HA GLY 36 -2.098 15.198 -0.638 257 2HA GLY 36 1HA GLY 36 -3.483 15.942 -1.411 258 H ALA 37 H ALA 37 -2.692 12.519 -1.976 259 HA ALA 37 HA ALA 37 -5.298 11.745 -1.151 260 1HB ALA 37 1HB ALA 37 -3.019 10.482 -2.366 261 2HB ALA 37 2HB ALA 37 -4.718 10.023 -2.431 262 3HB ALA 37 3HB ALA 37 -3.698 9.447 -1.113 263 H CYS 38 H CYS 38 -6.066 11.220 0.801 264 HA CYS 38 HA CYS 38 -4.295 11.363 3.082 265 1HB CYS 38 2HB CYS 38 -7.122 11.717 2.603 266 2HB CYS 38 1HB CYS 38 -6.858 10.630 3.962 267 H ALA 39 H ALA 39 -4.520 9.765 4.863 268 HA ALA 39 HA ALA 39 -3.938 7.152 3.892 269 1HB ALA 39 1HB ALA 39 -2.779 8.020 5.829 270 2HB ALA 39 2HB ALA 39 -3.675 6.567 6.268 271 3HB ALA 39 3HB ALA 39 -4.301 8.155 6.707 272 H ALA 40 H ALA 40 -5.124 5.338 3.858 273 HA ALA 40 HA ALA 40 -7.954 5.558 3.942 274 1HB ALA 40 1HB ALA 40 -7.105 2.824 4.038 275 2HB ALA 40 2HB ALA 40 -6.080 3.729 2.924 276 3HB ALA 40 3HB ALA 40 -7.829 3.721 2.702 277 H LYS 41 H LYS 41 -9.417 4.450 5.320 278 HA LYS 41 HA LYS 41 -8.851 4.714 8.054 279 1HB LYS 41 2HB LYS 41 -11.117 4.117 6.435 280 2HB LYS 41 1HB LYS 41 -11.032 2.908 7.708 281 1HG LYS 41 2HG LYS 41 -10.917 4.717 9.378 282 2HG LYS 41 1HG LYS 41 -11.097 5.896 8.076 283 1HD LYS 41 2HD LYS 41 -13.130 3.801 8.029 284 2HD LYS 41 1HD LYS 41 -13.148 4.758 9.511 285 1HE LYS 41 2HE LYS 41 -12.859 6.675 7.576 286 2HE LYS 41 1HE LYS 41 -13.899 5.495 6.782 287 1HZ LYS 41 1HZ LYS 41 -14.401 6.901 9.344 288 2HZ LYS 41 2HZ LYS 41 -15.329 5.592 8.809 289 3HZ LYS 41 3HZ LYS 41 -15.288 7.023 7.908 290 H ARG 42 H ARG 42 -9.640 1.671 6.356 291 HA ARG 42 HA ARG 42 -8.386 0.168 8.480 292 1HB ARG 42 2HB ARG 42 -10.365 -0.354 6.410 293 2HB ARG 42 1HB ARG 42 -9.195 -1.657 6.572 294 1HG ARG 42 2HG ARG 42 -9.994 -2.301 8.564 295 2HG ARG 42 1HG ARG 42 -10.275 -0.644 9.105 296 1HD ARG 42 2HD ARG 42 -12.349 -2.002 8.833 297 2HD ARG 42 1HD ARG 42 -12.322 -0.520 7.879 298 HE ARG 42 HE ARG 42 -11.388 -2.342 6.140 299 1HH1 ARG 42 1HH1 ARG 42 -14.200 -2.306 8.206 300 2HH1 ARG 42 2HH1 ARG 42 -15.144 -3.295 7.146 301 1HH2 ARG 42 1HH2 ARG 42 -12.627 -3.644 4.745 302 2HH2 ARG 42 2HH2 ARG 42 -14.252 -4.056 5.181 303 H ASN 43 H ASN 43 -8.044 0.294 4.913 304 HA ASN 43 HA ASN 43 -5.587 -1.203 5.085 305 1HB ASN 43 2HB ASN 43 -6.420 -1.898 3.129 306 2HB ASN 43 1HB ASN 43 -7.562 -0.567 3.067 307 1HD2 ASN 43 1HD2 ASN 43 -6.989 1.328 2.050 308 2HD2 ASN 43 2HD2 ASN 43 -5.717 1.387 0.874 309 H ASN 44 H ASN 44 -4.038 -0.030 6.043 310 HA ASN 44 HA ASN 44 -2.843 2.104 4.514 311 1HB ASN 44 2HB ASN 44 -2.800 3.682 6.440 312 2HB ASN 44 1HB ASN 44 -4.421 3.393 5.818 313 1HD2 ASN 44 1HD2 ASN 44 -5.736 1.811 6.969 314 2HD2 ASN 44 2HD2 ASN 44 -5.550 1.662 8.680 315 H PHE 45 H PHE 45 -0.991 0.855 4.348 316 HA PHE 45 HA PHE 45 0.283 0.009 6.853 317 1HB PHE 45 2HB PHE 45 0.853 -0.781 3.986 318 2HB PHE 45 1HB PHE 45 1.705 -1.395 5.402 319 HD1 PHE 45 1HD PHE 45 0.759 -3.077 6.785 320 HD2 PHE 45 2HD PHE 45 -1.521 -1.361 3.626 321 HE1 PHE 45 1HE PHE 45 -0.935 -4.841 7.054 322 HE2 PHE 45 2HE PHE 45 -3.220 -3.123 3.889 323 HZ PHE 45 HZ PHE 45 -2.928 -4.866 5.605 324 H LYS 46 H LYS 46 2.040 1.019 7.584 325 HA LYS 46 HA LYS 46 2.993 3.391 6.401 326 1HB LYS 46 2HB LYS 46 3.776 1.697 8.715 327 2HB LYS 46 1HB LYS 46 4.984 2.818 8.100 328 1HG LYS 46 2HG LYS 46 3.501 4.684 8.452 329 2HG LYS 46 1HG LYS 46 2.197 3.598 8.933 330 1HD LYS 46 2HD LYS 46 3.732 2.804 10.788 331 2HD LYS 46 1HD LYS 46 4.767 4.175 10.386 332 1HE LYS 46 2HE LYS 46 2.466 5.482 10.597 333 2HE LYS 46 1HE LYS 46 2.080 4.121 11.649 334 1HZ LYS 46 1HZ LYS 46 4.330 6.031 11.943 335 2HZ LYS 46 2HZ LYS 46 4.176 4.620 12.864 336 3HZ LYS 46 3HZ LYS 46 3.006 5.836 12.980 337 H SER 47 H SER 47 3.651 0.144 5.670 338 HA SER 47 HA SER 47 5.851 0.971 3.947 339 1HB SER 47 2HB SER 47 6.627 -1.574 4.737 340 2HB SER 47 1HB SER 47 7.367 -0.053 5.232 341 HG SER 47 HG SER 47 6.040 -0.050 7.055 342 H ALA 48 H ALA 48 5.989 -0.106 2.044 343 HA ALA 48 HA ALA 48 3.645 -1.331 1.076 344 1HB ALA 48 1HB ALA 48 6.368 -0.838 0.007 345 2HB ALA 48 2HB ALA 48 4.792 -0.448 -0.683 346 3HB ALA 48 3HB ALA 48 5.416 -2.094 -0.783 347 H GLU 49 H GLU 49 6.673 -2.641 2.309 348 HA GLU 49 HA GLU 49 6.252 -5.325 1.612 349 1HB GLU 49 2HB GLU 49 8.404 -4.496 2.478 350 2HB GLU 49 1HB GLU 49 7.662 -4.194 4.045 351 1HG GLU 49 2HG GLU 49 7.603 -6.404 4.603 352 2HG GLU 49 1HG GLU 49 7.512 -6.939 2.926 353 H ASP 50 H ASP 50 5.171 -3.345 4.302 354 HA ASP 50 HA ASP 50 3.947 -5.419 5.794 355 1HB ASP 50 2HB ASP 50 4.386 -2.693 6.147 356 2HB ASP 50 1HB ASP 50 2.632 -2.835 6.058 357 H CYS 51 H CYS 51 2.722 -3.157 3.307 358 HA CYS 51 HA CYS 51 0.024 -3.967 3.424 359 1HB CYS 51 2HB CYS 51 0.434 -1.976 2.237 360 2HB CYS 51 1HB CYS 51 1.745 -2.693 1.300 361 H LEU 52 H LEU 52 2.610 -4.957 1.171 362 HA LEU 52 HA LEU 52 1.217 -6.887 -0.236 363 1HB LEU 52 2HB LEU 52 4.136 -6.757 0.509 364 2HB LEU 52 1HB LEU 52 3.479 -7.940 -0.608 365 HG LEU 52 HG LEU 52 3.374 -4.948 -0.996 366 1HD1 LEU 52 1HD1 LEU 52 5.073 -6.992 -2.411 367 2HD1 LEU 52 2HD1 LEU 52 5.651 -5.923 -1.133 368 3HD1 LEU 52 3HD1 LEU 52 5.079 -5.247 -2.658 369 1HD2 LEU 52 1HD2 LEU 52 2.571 -5.448 -3.214 370 2HD2 LEU 52 2HD2 LEU 52 1.505 -6.197 -2.027 371 3HD2 LEU 52 3HD2 LEU 52 2.680 -7.180 -2.902 372 H ARG 53 H ARG 53 2.998 -7.234 2.820 373 HA ARG 53 HA ARG 53 2.782 -10.007 3.074 374 1HB ARG 53 2HB ARG 53 4.089 -8.318 4.530 375 2HB ARG 53 1HB ARG 53 2.592 -8.153 5.435 376 1HG ARG 53 2HG ARG 53 3.671 -10.881 4.950 377 2HG ARG 53 1HG ARG 53 4.444 -9.859 6.163 378 1HD ARG 53 2HD ARG 53 2.626 -9.887 7.545 379 2HD ARG 53 1HD ARG 53 1.483 -10.073 6.216 380 HE ARG 53 HE ARG 53 1.619 -12.335 6.477 381 1HH1 ARG 53 1HH1 ARG 53 4.383 -10.876 8.031 382 2HH1 ARG 53 2HH1 ARG 53 4.944 -12.366 8.712 383 1HH2 ARG 53 1HH2 ARG 53 2.356 -14.295 7.373 384 2HH2 ARG 53 2HH2 ARG 53 3.795 -14.307 8.338 385 H THR 54 H THR 54 0.610 -7.446 4.239 386 HA THR 54 HA THR 54 -1.329 -9.347 5.202 387 HB THR 54 HB THR 54 -1.719 -6.383 4.803 388 HG1 THR 54 1HG THR 54 0.099 -6.577 6.043 389 1HG2 THR 54 1HG2 THR 54 -3.699 -6.752 5.712 390 2HG2 THR 54 2HG2 THR 54 -2.869 -7.237 7.190 391 3HG2 THR 54 3HG2 THR 54 -3.316 -8.450 5.991 392 H CYS 55 H CYS 55 -1.571 -6.744 2.773 393 HA CYS 55 HA CYS 55 -3.946 -7.796 1.642 394 1HB CYS 55 2HB CYS 55 -2.131 -5.517 1.086 395 2HB CYS 55 1HB CYS 55 -3.123 -6.078 -0.253 396 H GLY 56 H GLY 56 -0.558 -7.808 0.544 397 1HA GLY 56 2HA GLY 56 -0.949 -8.916 -1.977 398 2HA GLY 56 1HA GLY 56 0.505 -9.131 -1.016 399 H GLY 57 H GLY 57 0.169 -10.796 0.846 400 1HA GLY 57 2HA GLY 57 -0.336 -13.294 -0.348 401 2HA GLY 57 1HA GLY 57 -0.111 -13.015 1.373 402 H ALA 58 H ALA 58 -1.826 -13.180 2.699 403 HA ALA 58 HA ALA 58 -3.986 -13.347 3.427 404 1HB ALA 58 1HB ALA 58 -4.993 -12.807 0.651 405 2HB ALA 58 2HB ALA 58 -4.410 -11.512 1.698 406 3HB ALA 58 3HB ALA 58 -5.787 -12.496 2.195 Start of MODEL 10 1 1H ARG 1 1HT ARG 1 -6.722 -12.461 0.046 2 2H ARG 1 2HT ARG 1 -6.187 -12.408 -1.584 3 3H ARG 1 3HT ARG 1 -7.789 -12.907 -1.219 4 HA ARG 1 HA ARG 1 -6.594 -10.240 -1.076 5 1HB ARG 1 2HB ARG 1 -7.574 -10.921 -3.177 6 2HB ARG 1 1HB ARG 1 -9.039 -11.454 -2.368 7 1HG ARG 1 2HG ARG 1 -9.886 -9.455 -2.825 8 2HG ARG 1 1HG ARG 1 -8.781 -8.799 -1.616 9 1HD ARG 1 2HD ARG 1 -7.199 -8.188 -3.227 10 2HD ARG 1 1HD ARG 1 -7.915 -9.229 -4.454 11 HE ARG 1 HE ARG 1 -9.098 -6.705 -3.489 12 1HH1 ARG 1 1HH1 ARG 1 -8.681 -9.115 -5.993 13 2HH1 ARG 1 2HH1 ARG 1 -9.588 -8.224 -7.165 14 1HH2 ARG 1 1HH2 ARG 1 -10.293 -5.550 -5.033 15 2HH2 ARG 1 2HH2 ARG 1 -10.503 -6.204 -6.623 16 HA PRO 2 HA PRO 2 -8.888 -10.355 2.901 17 1HB PRO 2 2HB PRO 2 -7.470 -7.786 3.223 18 2HB PRO 2 1HB PRO 2 -7.533 -9.186 4.304 19 1HG PRO 2 2HG PRO 2 -5.334 -8.562 2.868 20 2HG PRO 2 1HG PRO 2 -5.772 -10.223 3.261 21 1HD PRO 2 2HD PRO 2 -6.015 -8.781 0.710 22 2HD PRO 2 1HD PRO 2 -5.697 -10.494 1.003 23 H ASP 3 H ASP 3 -10.622 -9.120 3.647 24 HA ASP 3 HA ASP 3 -12.271 -7.928 1.809 25 1HB ASP 3 2HB ASP 3 -12.101 -7.665 4.799 26 2HB ASP 3 1HB ASP 3 -13.321 -6.785 3.883 27 H PHE 4 H PHE 4 -10.424 -6.095 4.268 28 HA PHE 4 HA PHE 4 -10.993 -3.567 3.271 29 1HB PHE 4 2HB PHE 4 -8.687 -2.972 4.322 30 2HB PHE 4 1HB PHE 4 -10.012 -3.494 5.360 31 HD1 PHE 4 1HD PHE 4 -9.924 -5.604 6.505 32 HD2 PHE 4 2HD PHE 4 -6.783 -4.400 3.902 33 HE1 PHE 4 1HE PHE 4 -8.479 -7.358 7.443 34 HE2 PHE 4 2HE PHE 4 -5.335 -6.156 4.831 35 HZ PHE 4 HZ PHE 4 -6.183 -7.637 6.604 36 H CYS 5 H CYS 5 -8.857 -5.966 2.023 37 HA CYS 5 HA CYS 5 -7.073 -4.361 0.573 38 1HB CYS 5 2HB CYS 5 -7.407 -7.067 0.936 39 2HB CYS 5 1HB CYS 5 -7.853 -6.864 -0.753 40 H LEU 6 H LEU 6 -10.389 -5.019 0.173 41 HA LEU 6 HA LEU 6 -10.487 -4.362 -2.645 42 1HB LEU 6 2HB LEU 6 -12.828 -4.435 -0.751 43 2HB LEU 6 1HB LEU 6 -12.835 -4.673 -2.486 44 HG LEU 6 HG LEU 6 -11.567 -6.597 -0.533 45 1HD1 LEU 6 1HD1 LEU 6 -13.941 -6.521 -0.120 46 2HD1 LEU 6 2HD1 LEU 6 -13.537 -8.010 -0.974 47 3HD1 LEU 6 3HD1 LEU 6 -14.279 -6.667 -1.844 48 1HD2 LEU 6 1HD2 LEU 6 -11.041 -7.903 -2.306 49 2HD2 LEU 6 2HD2 LEU 6 -11.023 -6.353 -3.148 50 3HD2 LEU 6 3HD2 LEU 6 -12.446 -7.392 -3.241 51 H GLU 7 H GLU 7 -10.427 -2.671 0.320 52 HA GLU 7 HA GLU 7 -11.921 -0.376 -0.451 53 1HB GLU 7 2HB GLU 7 -11.359 -1.121 1.920 54 2HB GLU 7 1HB GLU 7 -9.753 -0.457 1.642 55 1HG GLU 7 2HG GLU 7 -10.599 1.424 2.480 56 2HG GLU 7 1HG GLU 7 -11.345 1.620 0.894 57 HA PRO 8 HA PRO 8 -8.533 1.257 -2.918 58 1HB PRO 8 2HB PRO 8 -9.963 2.949 -4.400 59 2HB PRO 8 1HB PRO 8 -10.098 1.201 -4.636 60 1HG PRO 8 2HG PRO 8 -11.940 3.069 -3.209 61 2HG PRO 8 1HG PRO 8 -12.329 1.690 -4.252 62 1HD PRO 8 2HD PRO 8 -12.304 1.651 -1.469 63 2HD PRO 8 1HD PRO 8 -12.222 0.222 -2.518 64 HA PRO 9 HA PRO 9 -7.779 5.061 -0.748 65 1HB PRO 9 2HB PRO 9 -5.652 5.962 -2.060 66 2HB PRO 9 1HB PRO 9 -5.579 4.423 -1.188 67 1HG PRO 9 2HG PRO 9 -5.931 4.919 -4.120 68 2HG PRO 9 1HG PRO 9 -4.933 3.705 -3.309 69 1HD PRO 9 2HD PRO 9 -7.445 3.232 -4.363 70 2HD PRO 9 1HD PRO 9 -6.652 2.241 -3.117 71 H TYR 10 H TYR 10 -7.361 7.472 -1.265 72 HA TYR 10 HA TYR 10 -8.486 8.405 -3.754 73 1HB TYR 10 2HB TYR 10 -10.372 9.545 -2.792 74 2HB TYR 10 1HB TYR 10 -10.443 7.852 -2.320 75 HD1 TYR 10 1HD TYR 10 -8.918 7.499 -0.007 76 HD2 TYR 10 2HD TYR 10 -11.116 10.963 -1.137 77 HE1 TYR 10 1HE TYR 10 -9.082 8.158 2.354 78 HE2 TYR 10 2HE TYR 10 -11.286 11.631 1.224 79 HH TYR 10 HH TYR 10 -9.459 10.701 3.537 80 H ALA 11 H ALA 11 -8.163 10.599 -4.145 81 HA ALA 11 HA ALA 11 -6.379 11.955 -2.237 82 1HB ALA 11 1HB ALA 11 -5.659 13.174 -4.463 83 2HB ALA 11 2HB ALA 11 -6.243 11.681 -5.196 84 3HB ALA 11 3HB ALA 11 -4.951 11.627 -3.998 85 H GLY 12 H GLY 12 -7.565 13.454 -1.222 86 1HA GLY 12 2HA GLY 12 -9.035 15.368 -2.892 87 2HA GLY 12 1HA GLY 12 -9.922 14.540 -1.625 88 H ALA 13 H ALA 13 -10.096 15.614 0.218 89 HA ALA 13 HA ALA 13 -8.738 18.022 0.622 90 1HB ALA 13 1HB ALA 13 -10.392 16.693 2.716 91 2HB ALA 13 2HB ALA 13 -11.130 17.419 1.288 92 3HB ALA 13 3HB ALA 13 -10.183 18.415 2.393 93 H CYS 14 H CYS 14 -6.550 17.199 0.665 94 HA CYS 14 HA CYS 14 -5.590 16.847 3.349 95 1HB CYS 14 2HB CYS 14 -5.202 14.636 1.346 96 2HB CYS 14 1HB CYS 14 -4.272 14.819 2.825 97 H ARG 15 H ARG 15 -3.061 16.423 3.149 98 HA ARG 15 HA ARG 15 -1.893 17.634 0.799 99 1HB ARG 15 2HB ARG 15 -2.688 19.578 2.132 100 2HB ARG 15 1HB ARG 15 -1.645 19.060 3.449 101 1HG ARG 15 2HG ARG 15 0.206 19.172 1.583 102 2HG ARG 15 1HG ARG 15 -0.940 20.285 0.837 103 1HD ARG 15 2HD ARG 15 -0.847 21.062 3.504 104 2HD ARG 15 1HD ARG 15 0.826 20.683 3.095 105 HE ARG 15 HE ARG 15 -0.528 22.346 1.169 106 1HH1 ARG 15 1HH1 ARG 15 1.397 22.285 4.080 107 2HH1 ARG 15 2HH1 ARG 15 2.000 23.894 3.864 108 1HH2 ARG 15 1HH2 ARG 15 0.262 24.462 0.883 109 2HH2 ARG 15 2HH2 ARG 15 1.355 25.131 2.049 110 H ALA 16 H ALA 16 -0.412 16.094 0.482 111 HA ALA 16 HA ALA 16 1.468 14.848 0.749 112 1HB ALA 16 1HB ALA 16 2.921 15.695 2.824 113 2HB ALA 16 2HB ALA 16 1.876 17.101 2.619 114 3HB ALA 16 3HB ALA 16 2.875 16.541 1.279 115 H ALA 17 H ALA 17 1.733 12.869 1.548 116 HA ALA 17 HA ALA 17 1.383 12.243 4.267 117 1HB ALA 17 1HB ALA 17 -0.488 10.779 4.153 118 2HB ALA 17 2HB ALA 17 -0.568 10.933 2.398 119 3HB ALA 17 3HB ALA 17 -0.979 12.306 3.424 120 H ALA 18 H ALA 18 3.552 12.040 2.719 121 HA ALA 18 HA ALA 18 3.900 9.523 1.460 122 1HB ALA 18 1HB ALA 18 6.149 10.117 1.196 123 2HB ALA 18 2HB ALA 18 6.134 11.156 2.621 124 3HB ALA 18 3HB ALA 18 5.283 11.652 1.158 125 H ALA 19 H ALA 19 6.080 8.333 2.359 126 HA ALA 19 HA ALA 19 6.945 6.900 3.898 127 1HB ALA 19 1HB ALA 19 6.938 9.006 5.321 128 2HB ALA 19 2HB ALA 19 6.962 7.466 6.181 129 3HB ALA 19 3HB ALA 19 5.460 8.381 6.051 130 H ARG 20 H ARG 20 4.068 6.762 2.765 131 HA ARG 20 HA ARG 20 3.336 4.413 4.331 132 1HB ARG 20 2HB ARG 20 1.521 6.750 3.805 133 2HB ARG 20 1HB ARG 20 0.890 5.138 4.125 134 1HG ARG 20 2HG ARG 20 1.413 5.216 6.316 135 2HG ARG 20 1HG ARG 20 2.874 6.167 6.051 136 1HD ARG 20 2HD ARG 20 1.636 7.804 6.996 137 2HD ARG 20 1HD ARG 20 1.023 7.980 5.353 138 HE ARG 20 HE ARG 20 -0.659 6.167 6.411 139 1HH1 ARG 20 1HH1 ARG 20 0.435 9.289 7.528 140 2HH1 ARG 20 2HH1 ARG 20 -1.026 9.629 8.394 141 1HH2 ARG 20 1HH2 ARG 20 -2.577 6.611 7.552 142 2HH2 ARG 20 2HH2 ARG 20 -2.736 8.108 8.410 143 H TYR 21 H TYR 21 1.566 3.176 3.241 144 HA TYR 21 HA TYR 21 1.569 3.501 0.334 145 1HB TYR 21 2HB TYR 21 2.398 1.018 1.831 146 2HB TYR 21 1HB TYR 21 1.926 0.999 0.136 147 HD1 TYR 21 1HD TYR 21 3.479 1.526 -1.541 148 HD2 TYR 21 2HD TYR 21 4.397 2.435 2.510 149 HE1 TYR 21 1HE TYR 21 5.791 2.042 -2.188 150 HE2 TYR 21 2HE TYR 21 6.713 2.959 1.873 151 HH TYR 21 HH TYR 21 7.692 3.225 -1.432 152 H PHE 22 H PHE 22 -0.007 1.983 -0.714 153 HA PHE 22 HA PHE 22 -2.157 1.025 0.989 154 1HB PHE 22 2HB PHE 22 -3.881 2.202 -0.378 155 2HB PHE 22 1HB PHE 22 -2.938 3.247 0.661 156 HD1 PHE 22 1HD PHE 22 -3.136 1.994 -2.818 157 HD2 PHE 22 2HD PHE 22 -1.907 5.139 -0.242 158 HE1 PHE 22 1HE PHE 22 -2.595 3.379 -4.775 159 HE2 PHE 22 2HE PHE 22 -1.367 6.530 -2.193 160 HZ PHE 22 HZ PHE 22 -1.710 5.653 -4.464 161 H TYR 23 H TYR 23 -3.443 -0.497 0.024 162 HA TYR 23 HA TYR 23 -2.233 -1.787 -2.286 163 1HB TYR 23 2HB TYR 23 -2.883 -3.236 -0.490 164 2HB TYR 23 1HB TYR 23 -4.536 -2.610 -0.505 165 HD1 TYR 23 1HD TYR 23 -6.148 -3.487 -2.001 166 HD2 TYR 23 2HD TYR 23 -2.068 -4.610 -2.405 167 HE1 TYR 23 1HE TYR 23 -6.799 -5.242 -3.595 168 HE2 TYR 23 2HE TYR 23 -2.704 -6.369 -4.002 169 HH TYR 23 HH TYR 23 -4.716 -7.719 -4.551 170 H ASN 24 H ASN 24 -2.983 -1.786 -4.289 171 HA ASN 24 HA ASN 24 -5.432 -0.270 -4.870 172 1HB ASN 24 2HB ASN 24 -3.399 0.576 -5.929 173 2HB ASN 24 1HB ASN 24 -3.085 -1.006 -6.641 174 1HD2 ASN 24 1HD2 ASN 24 -3.473 1.622 -7.857 175 2HD2 ASN 24 2HD2 ASN 24 -4.766 1.414 -8.991 176 H ALA 25 H ALA 25 -7.068 -1.755 -4.718 177 HA ALA 25 HA ALA 25 -7.009 -4.437 -5.399 178 1HB ALA 25 1HB ALA 25 -8.931 -3.984 -4.277 179 2HB ALA 25 2HB ALA 25 -9.582 -3.889 -5.914 180 3HB ALA 25 3HB ALA 25 -9.141 -2.414 -5.055 181 H LYS 26 H LYS 26 -7.457 -1.639 -7.459 182 HA LYS 26 HA LYS 26 -8.191 -3.214 -9.769 183 1HB LYS 26 2HB LYS 26 -7.940 -0.336 -9.125 184 2HB LYS 26 1HB LYS 26 -7.648 -0.780 -10.800 185 1HG LYS 26 2HG LYS 26 -9.872 -2.043 -10.654 186 2HG LYS 26 1HG LYS 26 -10.146 -1.106 -9.184 187 1HD LYS 26 2HD LYS 26 -10.137 0.932 -10.348 188 2HD LYS 26 1HD LYS 26 -9.388 0.211 -11.773 189 1HE LYS 26 2HE LYS 26 -11.769 -1.208 -11.359 190 2HE LYS 26 1HE LYS 26 -12.175 0.491 -11.115 191 1HZ LYS 26 1HZ LYS 26 -10.566 -0.257 -13.452 192 2HZ LYS 26 2HZ LYS 26 -11.663 1.016 -13.265 193 3HZ LYS 26 3HZ LYS 26 -12.229 -0.563 -13.482 194 H ALA 27 H ALA 27 -5.315 -2.914 -8.253 195 HA ALA 27 HA ALA 27 -3.852 -3.271 -10.777 196 1HB ALA 27 1HB ALA 27 -1.969 -1.940 -9.895 197 2HB ALA 27 2HB ALA 27 -2.970 -1.490 -8.517 198 3HB ALA 27 3HB ALA 27 -3.435 -0.991 -10.142 199 H GLY 28 H GLY 28 -4.587 -4.532 -7.782 200 1HA GLY 28 2HA GLY 28 -3.858 -6.388 -6.690 201 2HA GLY 28 1HA GLY 28 -2.850 -6.686 -8.081 202 H LEU 29 H LEU 29 -1.822 -3.758 -7.202 203 HA LEU 29 HA LEU 29 0.041 -4.797 -5.175 204 1HB LEU 29 2HB LEU 29 0.600 -3.450 -7.762 205 2HB LEU 29 1HB LEU 29 1.624 -3.031 -6.401 206 HG LEU 29 HG LEU 29 1.870 -5.634 -6.159 207 1HD1 LEU 29 1HD1 LEU 29 1.458 -5.483 -9.123 208 2HD1 LEU 29 2HD1 LEU 29 0.143 -5.926 -8.034 209 3HD1 LEU 29 3HD1 LEU 29 1.608 -6.906 -8.092 210 1HD2 LEU 29 1HD2 LEU 29 3.291 -4.350 -8.467 211 2HD2 LEU 29 2HD2 LEU 29 3.911 -5.501 -7.282 212 3HD2 LEU 29 3HD2 LEU 29 3.580 -3.836 -6.804 213 H CYS 30 H CYS 30 1.302 -2.909 -4.119 214 HA CYS 30 HA CYS 30 -0.698 -0.939 -3.324 215 1HB CYS 30 2HB CYS 30 1.942 -1.077 -1.955 216 2HB CYS 30 1HB CYS 30 0.347 -0.752 -1.292 217 H GLN 31 H GLN 31 0.175 1.261 -2.730 218 HA GLN 31 HA GLN 31 2.341 2.181 -4.435 219 1HB GLN 31 2HB GLN 31 -0.100 2.258 -5.525 220 2HB GLN 31 1HB GLN 31 -0.149 3.775 -4.639 221 1HG GLN 31 2HG GLN 31 1.904 4.489 -5.775 222 2HG GLN 31 1HG GLN 31 1.896 2.985 -6.697 223 1HE2 GLN 31 1HE2 GLN 31 -0.034 5.859 -5.996 224 2HE2 GLN 31 2HE2 GLN 31 -0.810 5.932 -7.538 225 H THR 32 H THR 32 3.140 4.260 -3.908 226 HA THR 32 HA THR 32 2.902 4.957 -1.149 227 HB THR 32 HB THR 32 4.296 6.933 -2.676 228 HG1 THR 32 1HG THR 32 5.066 4.274 -3.272 229 1HG2 THR 32 1HG2 THR 32 6.192 6.261 -1.452 230 2HG2 THR 32 2HG2 THR 32 5.469 4.694 -1.087 231 3HG2 THR 32 3HG2 THR 32 4.802 6.163 -0.373 232 H PHE 33 H PHE 33 1.813 6.589 -0.216 233 HA PHE 33 HA PHE 33 -0.285 7.888 -1.579 234 1HB PHE 33 2HB PHE 33 1.055 8.410 1.075 235 2HB PHE 33 1HB PHE 33 -0.266 9.413 0.490 236 HD1 PHE 33 1HD PHE 33 -2.521 8.448 0.197 237 HD2 PHE 33 2HD PHE 33 0.672 6.227 1.927 238 HE1 PHE 33 1HE PHE 33 -4.138 6.841 1.112 239 HE2 PHE 33 2HE PHE 33 -0.942 4.615 2.843 240 HZ PHE 33 HZ PHE 33 -3.351 4.920 2.437 241 H ALA 34 H ALA 34 -0.459 10.358 -1.700 242 HA ALA 34 HA ALA 34 1.931 11.875 -1.915 243 1HB ALA 34 1HB ALA 34 2.181 12.060 -4.258 244 2HB ALA 34 2HB ALA 34 0.672 11.198 -4.558 245 3HB ALA 34 3HB ALA 34 2.066 10.335 -3.899 246 H TYR 35 H TYR 35 0.917 13.568 -4.098 247 HA TYR 35 HA TYR 35 -0.278 15.594 -2.817 248 1HB TYR 35 2HB TYR 35 0.466 15.580 -5.211 249 2HB TYR 35 1HB TYR 35 -1.065 14.819 -5.630 250 HD1 TYR 35 1HD TYR 35 0.624 17.900 -5.167 251 HD2 TYR 35 2HD TYR 35 -3.214 16.083 -4.902 252 HE1 TYR 35 1HE TYR 35 -0.429 20.119 -5.296 253 HE2 TYR 35 2HE TYR 35 -4.278 18.296 -5.036 254 HH TYR 35 HH TYR 35 -2.531 21.130 -5.871 255 H GLY 36 H GLY 36 -2.073 15.920 -1.733 256 1HA GLY 36 2HA GLY 36 -4.148 15.745 -0.893 257 2HA GLY 36 1HA GLY 36 -4.606 15.524 -2.552 258 H ALA 37 H ALA 37 -2.680 12.927 -1.949 259 HA ALA 37 HA ALA 37 -4.870 11.139 -1.834 260 1HB ALA 37 1HB ALA 37 -2.244 10.917 -2.555 261 2HB ALA 37 2HB ALA 37 -3.365 9.569 -2.362 262 3HB ALA 37 3HB ALA 37 -2.291 10.020 -1.038 263 H CYS 38 H CYS 38 -6.125 11.031 -0.098 264 HA CYS 38 HA CYS 38 -5.070 11.416 2.560 265 1HB CYS 38 2HB CYS 38 -7.858 10.687 1.648 266 2HB CYS 38 1HB CYS 38 -7.402 11.150 3.284 267 H ALA 39 H ALA 39 -4.989 9.927 4.206 268 HA ALA 39 HA ALA 39 -4.425 7.239 3.453 269 1HB ALA 39 1HB ALA 39 -4.418 6.998 6.066 270 2HB ALA 39 2HB ALA 39 -4.455 8.762 6.014 271 3HB ALA 39 3HB ALA 39 -3.137 7.884 5.238 272 H ALA 40 H ALA 40 -5.605 5.403 3.690 273 HA ALA 40 HA ALA 40 -8.459 5.735 4.122 274 1HB ALA 40 1HB ALA 40 -8.720 3.952 2.788 275 2HB ALA 40 2HB ALA 40 -7.475 3.023 3.624 276 3HB ALA 40 3HB ALA 40 -7.020 4.194 2.386 277 H LYS 41 H LYS 41 -9.627 4.077 5.440 278 HA LYS 41 HA LYS 41 -8.721 4.111 8.097 279 1HB LYS 41 2HB LYS 41 -11.034 3.108 6.647 280 2HB LYS 41 1HB LYS 41 -10.570 2.025 7.952 281 1HG LYS 41 2HG LYS 41 -10.879 3.680 9.584 282 2HG LYS 41 1HG LYS 41 -10.907 4.974 8.384 283 1HD LYS 41 2HD LYS 41 -12.967 3.187 7.679 284 2HD LYS 41 1HD LYS 41 -13.080 3.413 9.425 285 1HE LYS 41 2HE LYS 41 -12.834 5.710 7.498 286 2HE LYS 41 1HE LYS 41 -14.389 5.037 7.984 287 1HZ LYS 41 1HZ LYS 41 -13.759 5.503 10.311 288 2HZ LYS 41 2HZ LYS 41 -13.880 6.901 9.366 289 3HZ LYS 41 3HZ LYS 41 -12.358 6.275 9.758 290 H ARG 42 H ARG 42 -9.351 1.144 6.227 291 HA ARG 42 HA ARG 42 -7.399 -0.280 7.811 292 1HB ARG 42 2HB ARG 42 -9.115 -1.273 5.533 293 2HB ARG 42 1HB ARG 42 -8.187 -2.269 6.645 294 1HG ARG 42 2HG ARG 42 -10.095 -0.440 7.921 295 2HG ARG 42 1HG ARG 42 -10.815 -1.704 6.922 296 1HD ARG 42 2HD ARG 42 -10.635 -2.551 9.146 297 2HD ARG 42 1HD ARG 42 -9.422 -3.368 8.161 298 HE ARG 42 HE ARG 42 -8.384 -1.054 9.479 299 1HH1 ARG 42 1HH1 ARG 42 -9.162 -4.430 9.907 300 2HH1 ARG 42 2HH1 ARG 42 -8.013 -4.660 11.183 301 1HH2 ARG 42 1HH2 ARG 42 -6.874 -1.357 11.156 302 2HH2 ARG 42 2HH2 ARG 42 -6.717 -2.917 11.893 303 H ASN 43 H ASN 43 -7.823 0.772 4.468 304 HA ASN 43 HA ASN 43 -5.493 -0.529 3.491 305 1HB ASN 43 2HB ASN 43 -7.731 0.721 2.407 306 2HB ASN 43 1HB ASN 43 -6.402 1.787 1.960 307 1HD2 ASN 43 1HD2 ASN 43 -7.352 -1.543 2.087 308 2HD2 ASN 43 2HD2 ASN 43 -6.570 -2.050 0.618 309 H ASN 44 H ASN 44 -4.171 0.349 5.343 310 HA ASN 44 HA ASN 44 -2.606 2.581 4.379 311 1HB ASN 44 2HB ASN 44 -4.298 3.762 5.659 312 2HB ASN 44 1HB ASN 44 -4.017 2.718 7.048 313 1HD2 ASN 44 1HD2 ASN 44 -2.738 3.490 8.557 314 2HD2 ASN 44 2HD2 ASN 44 -1.547 4.724 8.350 315 H PHE 45 H PHE 45 -0.873 1.138 4.238 316 HA PHE 45 HA PHE 45 0.023 -0.077 6.756 317 1HB PHE 45 2HB PHE 45 0.812 -0.702 3.899 318 2HB PHE 45 1HB PHE 45 1.360 -1.565 5.338 319 HD1 PHE 45 1HD PHE 45 -1.428 -0.988 3.056 320 HD2 PHE 45 2HD PHE 45 -0.139 -3.033 6.562 321 HE1 PHE 45 1HE PHE 45 -3.411 -2.443 2.931 322 HE2 PHE 45 2HE PHE 45 -2.116 -4.493 6.442 323 HZ PHE 45 HZ PHE 45 -3.757 -4.201 4.624 324 H LYS 46 H LYS 46 1.905 0.512 7.669 325 HA LYS 46 HA LYS 46 3.108 2.950 7.008 326 1HB LYS 46 2HB LYS 46 3.471 0.859 9.004 327 2HB LYS 46 1HB LYS 46 4.989 1.619 8.546 328 1HG LYS 46 2HG LYS 46 4.468 3.566 9.539 329 2HG LYS 46 1HG LYS 46 2.769 3.471 9.073 330 1HD LYS 46 2HD LYS 46 3.568 1.441 11.021 331 2HD LYS 46 1HD LYS 46 3.752 3.096 11.606 332 1HE LYS 46 2HE LYS 46 1.572 2.564 12.206 333 2HE LYS 46 1HE LYS 46 1.367 3.448 10.693 334 1HZ LYS 46 1HZ LYS 46 0.064 1.655 10.274 335 2HZ LYS 46 2HZ LYS 46 0.960 0.609 11.256 336 3HZ LYS 46 3HZ LYS 46 1.533 1.024 9.720 337 H SER 47 H SER 47 3.585 -0.109 5.597 338 HA SER 47 HA SER 47 5.743 0.940 3.992 339 1HB SER 47 2HB SER 47 6.788 -1.554 4.619 340 2HB SER 47 1HB SER 47 7.382 0.000 5.209 341 HG SER 47 HG SER 47 6.197 -1.989 6.574 342 H ALA 48 H ALA 48 6.093 -0.233 2.064 343 HA ALA 48 HA ALA 48 3.814 -1.440 0.970 344 1HB ALA 48 1HB ALA 48 5.010 -0.937 -0.852 345 2HB ALA 48 2HB ALA 48 5.963 -2.389 -0.544 346 3HB ALA 48 3HB ALA 48 6.502 -0.832 0.082 347 H GLU 49 H GLU 49 6.693 -2.785 2.482 348 HA GLU 49 HA GLU 49 6.185 -5.496 1.929 349 1HB GLU 49 2HB GLU 49 8.126 -4.057 3.330 350 2HB GLU 49 1HB GLU 49 7.351 -5.039 4.566 351 1HG GLU 49 2HG GLU 49 7.696 -6.973 2.869 352 2HG GLU 49 1HG GLU 49 8.899 -5.894 2.166 353 H ASP 50 H ASP 50 5.093 -3.259 4.394 354 HA ASP 50 HA ASP 50 3.704 -5.146 5.993 355 1HB ASP 50 2HB ASP 50 4.037 -2.249 5.899 356 2HB ASP 50 1HB ASP 50 2.401 -2.719 6.355 357 H CYS 51 H CYS 51 2.725 -3.026 3.287 358 HA CYS 51 HA CYS 51 -0.028 -3.667 3.368 359 1HB CYS 51 2HB CYS 51 0.586 -1.749 2.120 360 2HB CYS 51 1HB CYS 51 1.816 -2.629 1.214 361 H LEU 52 H LEU 52 2.504 -4.815 1.156 362 HA LEU 52 HA LEU 52 1.081 -6.792 -0.136 363 1HB LEU 52 2HB LEU 52 3.994 -6.528 0.556 364 2HB LEU 52 1HB LEU 52 3.392 -7.889 -0.375 365 HG LEU 52 HG LEU 52 3.298 -4.977 -1.150 366 1HD1 LEU 52 1HD1 LEU 52 4.521 -6.179 -3.172 367 2HD1 LEU 52 2HD1 LEU 52 4.955 -7.320 -1.899 368 3HD1 LEU 52 3HD1 LEU 52 5.398 -5.619 -1.748 369 1HD2 LEU 52 1HD2 LEU 52 1.427 -5.528 -2.257 370 2HD2 LEU 52 2HD2 LEU 52 1.700 -7.258 -2.053 371 3HD2 LEU 52 3HD2 LEU 52 2.511 -6.384 -3.353 372 H ARG 53 H ARG 53 2.889 -7.014 2.912 373 HA ARG 53 HA ARG 53 2.680 -9.774 3.288 374 1HB ARG 53 2HB ARG 53 3.161 -7.429 5.044 375 2HB ARG 53 1HB ARG 53 2.659 -8.917 5.834 376 1HG ARG 53 2HG ARG 53 4.903 -8.963 3.865 377 2HG ARG 53 1HG ARG 53 5.179 -8.412 5.519 378 1HD ARG 53 2HD ARG 53 4.756 -10.479 6.426 379 2HD ARG 53 1HD ARG 53 3.728 -10.974 5.082 380 HE ARG 53 HE ARG 53 6.524 -10.627 4.429 381 1HH1 ARG 53 1HH1 ARG 53 4.034 -12.850 5.459 382 2HH1 ARG 53 2HH1 ARG 53 4.893 -14.253 4.921 383 1HH2 ARG 53 1HH2 ARG 53 7.652 -12.474 3.723 384 2HH2 ARG 53 2HH2 ARG 53 6.947 -14.042 3.938 385 H THR 54 H THR 54 0.577 -7.182 4.524 386 HA THR 54 HA THR 54 -1.329 -9.056 5.583 387 HB THR 54 HB THR 54 -1.848 -6.127 5.178 388 HG1 THR 54 1HG THR 54 -0.356 -7.226 7.321 389 1HG2 THR 54 1HG2 THR 54 -2.800 -8.226 7.051 390 2HG2 THR 54 2HG2 THR 54 -3.698 -6.957 6.217 391 3HG2 THR 54 3HG2 THR 54 -2.701 -6.558 7.617 392 H CYS 55 H CYS 55 -1.568 -6.494 3.128 393 HA CYS 55 HA CYS 55 -4.050 -7.395 2.130 394 1HB CYS 55 2HB CYS 55 -2.508 -5.103 1.851 395 2HB CYS 55 1HB CYS 55 -2.506 -5.811 0.236 396 H GLY 56 H GLY 56 -0.734 -7.673 0.863 397 1HA GLY 56 2HA GLY 56 0.107 -8.942 -0.873 398 2HA GLY 56 1HA GLY 56 -0.895 -10.204 -0.165 399 H GLY 57 H GLY 57 -0.888 -10.880 -2.507 400 1HA GLY 57 2HA GLY 57 -3.406 -10.292 -3.654 401 2HA GLY 57 1HA GLY 57 -2.148 -9.426 -4.527 402 H ALA 58 H ALA 58 -3.382 -11.003 -6.115 403 HA ALA 58 HA ALA 58 -3.082 -12.668 -7.636 404 1HB ALA 58 1HB ALA 58 -0.562 -12.051 -6.961 405 2HB ALA 58 2HB ALA 58 -0.971 -13.339 -8.096 406 3HB ALA 58 3HB ALA 58 -0.610 -13.728 -6.414
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