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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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22473 |
2jot ![]() ![]() |
15382 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ILE 1 1H ILE 1 4.480 14.805 4.177 2 2H ILE 1 2H ILE 1 5.657 14.668 2.935 3 3H ILE 1 3H ILE 1 6.064 14.265 4.553 4 HA ILE 1 HA ILE 1 4.789 12.380 4.546 5 HB ILE 1 HB ILE 1 3.359 11.800 2.553 6 1HG1 ILE 1 2HG1 ILE 1 2.996 14.633 1.859 7 2HG1 ILE 1 1HG1 ILE 1 4.563 13.979 1.392 8 1HG2 ILE 1 1HG2 ILE 1 1.953 12.325 4.227 9 2HG2 ILE 1 2HG2 ILE 1 1.665 13.784 3.278 10 3HG2 ILE 1 3HG2 ILE 1 2.811 13.815 4.619 11 1HD1 ILE 1 1HD1 ILE 1 1.858 13.327 0.393 12 2HD1 ILE 1 2HD1 ILE 1 3.045 12.025 0.453 13 3HD1 ILE 1 3HD1 ILE 1 3.383 13.486 -0.475 14 H ASP 2 H ASP 2 6.853 11.508 4.415 15 HA ASP 2 HA ASP 2 7.936 11.046 1.727 16 1HB ASP 2 2HB ASP 2 9.279 12.047 3.754 17 2HB ASP 2 1HB ASP 2 9.434 10.356 4.223 18 H THR 3 H THR 3 5.947 9.511 3.823 19 HA THR 3 HA THR 3 7.076 6.866 3.708 20 HB THR 3 HB THR 3 4.283 7.712 4.494 21 HG1 THR 3 HG1 THR 3 5.048 8.178 6.409 22 1HG2 THR 3 1HG2 THR 3 5.168 5.171 4.118 23 2HG2 THR 3 2HG2 THR 3 3.874 5.646 5.218 24 3HG2 THR 3 3HG2 THR 3 5.515 5.427 5.828 25 H CYS 4 H CYS 4 4.765 8.750 1.892 26 HA CYS 4 HA CYS 4 3.622 6.564 0.460 27 1HB CYS 4 2HB CYS 4 3.676 9.527 -0.139 28 2HB CYS 4 1HB CYS 4 2.734 8.348 -1.045 29 H ARG 5 H ARG 5 6.673 7.926 0.314 30 HA ARG 5 HA ARG 5 7.017 7.581 -2.552 31 1HB ARG 5 2HB ARG 5 9.383 8.069 -0.841 32 2HB ARG 5 1HB ARG 5 8.924 8.811 -2.367 33 1HG ARG 5 2HG ARG 5 7.026 9.837 -0.760 34 2HG ARG 5 1HG ARG 5 8.342 9.637 0.398 35 1HD ARG 5 2HD ARG 5 9.798 10.997 -0.905 36 2HD ARG 5 1HD ARG 5 8.670 11.011 -2.261 37 HE ARG 5 HE ARG 5 7.523 12.112 0.110 38 1HH1 ARG 5 1HH1 ARG 5 9.617 12.828 -2.588 39 2HH1 ARG 5 2HH1 ARG 5 9.309 14.531 -2.536 40 1HH2 ARG 5 1HH2 ARG 5 7.117 14.351 0.181 41 2HH2 ARG 5 2HH2 ARG 5 7.890 15.396 -0.962 42 H LEU 6 H LEU 6 7.675 5.893 0.418 43 HA LEU 6 HA LEU 6 9.689 4.158 -0.432 44 1HB LEU 6 2HB LEU 6 7.490 3.391 1.470 45 2HB LEU 6 1HB LEU 6 9.139 2.796 1.435 46 HG LEU 6 HG LEU 6 8.212 5.536 2.293 47 1HD1 LEU 6 1HD1 LEU 6 7.902 3.791 3.955 48 2HD1 LEU 6 2HD1 LEU 6 9.200 4.885 4.436 49 3HD1 LEU 6 3HD1 LEU 6 9.585 3.297 3.772 50 1HD2 LEU 6 1HD2 LEU 6 10.690 5.799 2.865 51 2HD2 LEU 6 2HD2 LEU 6 10.222 5.975 1.174 52 3HD2 LEU 6 3HD2 LEU 6 10.965 4.476 1.732 53 HA PRO 7 HA PRO 7 7.322 1.647 -3.269 54 1HB PRO 7 2HB PRO 7 9.544 -0.105 -3.655 55 2HB PRO 7 1HB PRO 7 9.022 1.221 -4.691 56 1HG PRO 7 2HG PRO 7 11.381 1.157 -3.234 57 2HG PRO 7 1HG PRO 7 10.620 2.615 -3.890 58 1HD PRO 7 2HD PRO 7 10.572 1.532 -1.110 59 2HD PRO 7 1HD PRO 7 10.600 3.217 -1.672 60 H SER 8 H SER 8 5.814 0.378 -2.339 61 HA SER 8 HA SER 8 6.509 -1.602 -0.360 62 1HB SER 8 2HB SER 8 3.987 -0.530 -1.525 63 2HB SER 8 1HB SER 8 3.934 -2.151 -0.832 64 HG SER 8 HG SER 8 4.910 -1.171 1.079 65 H ASP 9 H ASP 9 6.838 -3.723 -0.667 66 HA ASP 9 HA ASP 9 6.816 -4.725 -3.399 67 1HB ASP 9 2HB ASP 9 8.449 -5.165 -1.146 68 2HB ASP 9 1HB ASP 9 7.625 -6.691 -1.448 69 H ARG 10 H ARG 10 5.752 -6.638 -4.039 70 HA ARG 10 HA ARG 10 3.241 -7.061 -2.652 71 1HB ARG 10 2HB ARG 10 4.314 -7.942 -5.322 72 2HB ARG 10 1HB ARG 10 2.784 -8.531 -4.688 73 1HG ARG 10 2HG ARG 10 1.830 -6.367 -4.723 74 2HG ARG 10 1HG ARG 10 3.395 -5.608 -5.018 75 1HD ARG 10 2HD ARG 10 2.035 -5.698 -7.052 76 2HD ARG 10 1HD ARG 10 3.509 -6.651 -7.210 77 HE ARG 10 HE ARG 10 1.707 -8.480 -6.395 78 1HH1 ARG 10 1HH1 ARG 10 1.671 -6.110 -8.957 79 2HH1 ARG 10 2HH1 ARG 10 0.678 -7.068 -10.002 80 1HH2 ARG 10 1HH2 ARG 10 0.408 -9.748 -7.777 81 2HH2 ARG 10 2HH2 ARG 10 -0.041 -9.133 -9.333 82 HN2 GLY 11 H GLY 11 6.296 -8.499 -2.656 83 1HA GLY 11 2HA GLY 11 7.072 -10.593 -2.054 84 2HA GLY 11 1HA GLY 11 5.899 -10.370 -0.767 85 H ARG 12 H ARG 12 6.448 -11.811 -3.930 86 HA ARG 12 HA ARG 12 3.998 -13.000 -4.394 87 1HB ARG 12 2HB ARG 12 6.471 -13.120 -5.573 88 2HB ARG 12 1HB ARG 12 6.289 -14.757 -4.958 89 1HG ARG 12 2HG ARG 12 4.757 -15.290 -6.492 90 2HG ARG 12 1HG ARG 12 3.914 -13.748 -6.327 91 1HD ARG 12 2HD ARG 12 5.004 -12.833 -8.065 92 2HD ARG 12 1HD ARG 12 6.545 -13.549 -7.597 93 HE ARG 12 HE ARG 12 4.792 -14.504 -9.588 94 1HH1 ARG 12 1HH1 ARG 12 6.855 -15.651 -7.018 95 2HH1 ARG 12 2HH1 ARG 12 7.154 -17.181 -7.773 96 1HH2 ARG 12 1HH2 ARG 12 5.185 -16.515 -10.582 97 2HH2 ARG 12 2HH2 ARG 12 6.207 -17.672 -9.796 98 H CYS 13 H CYS 13 6.750 -14.820 -3.045 99 HA CYS 13 HA CYS 13 6.759 -16.719 -1.758 100 1HB CYS 13 2HB CYS 13 4.884 -15.089 -0.040 101 2HB CYS 13 1HB CYS 13 6.060 -16.287 0.490 102 H LYS 14 H LYS 14 4.653 -17.580 0.090 103 HA LYS 14 HA LYS 14 3.001 -18.958 -1.871 104 1HB LYS 14 2HB LYS 14 3.034 -19.459 1.098 105 2HB LYS 14 1HB LYS 14 2.527 -20.553 -0.181 106 1HG LYS 14 2HG LYS 14 4.569 -21.387 -0.351 107 2HG LYS 14 1HG LYS 14 5.257 -19.781 -0.591 108 1HD LYS 14 2HD LYS 14 6.315 -20.624 1.335 109 2HD LYS 14 1HD LYS 14 5.088 -19.506 1.936 110 1HE LYS 14 2HE LYS 14 4.504 -21.207 3.278 111 2HE LYS 14 1HE LYS 14 3.691 -21.835 1.846 112 1HZ LYS 14 1HZ LYS 14 6.509 -22.501 2.124 113 2HZ LYS 14 2HZ LYS 14 5.222 -23.451 1.578 114 3HZ LYS 14 3HZ LYS 14 5.462 -23.228 3.237 115 H ALA 15 H ALA 15 2.635 -16.082 -0.725 116 HA ALA 15 HA ALA 15 -0.167 -16.416 0.109 117 1HB ALA 15 1HB ALA 15 0.843 -15.266 1.839 118 2HB ALA 15 2HB ALA 15 0.166 -13.962 0.864 119 3HB ALA 15 3HB ALA 15 1.885 -14.343 0.754 120 H SER 16 H SER 16 -1.569 -14.482 -0.512 121 HA SER 16 HA SER 16 -0.945 -12.986 -2.837 122 1HB SER 16 2HB SER 16 -1.158 -15.011 -4.076 123 2HB SER 16 1HB SER 16 -2.607 -15.483 -3.190 124 HG SER 16 HG SER 16 -3.718 -13.798 -4.195 125 H PHE 17 H PHE 17 -1.762 -11.588 -1.046 126 HA PHE 17 HA PHE 17 -4.707 -11.469 -1.065 127 1HB PHE 17 2HB PHE 17 -2.708 -10.984 1.094 128 2HB PHE 17 1HB PHE 17 -4.181 -10.018 1.096 129 HD1 PHE 17 HD1 PHE 17 -6.395 -11.444 0.752 130 HD2 PHE 17 HD2 PHE 17 -2.715 -12.952 2.267 131 HE1 PHE 17 HE1 PHE 17 -7.604 -13.289 1.842 132 HE2 PHE 17 HE2 PHE 17 -3.918 -14.799 3.359 133 HZ PHE 17 HZ PHE 17 -6.366 -14.970 3.148 134 H GLU 18 H GLU 18 -5.675 -9.636 -1.725 135 HA GLU 18 HA GLU 18 -4.072 -7.636 -3.011 136 1HB GLU 18 2HB GLU 18 -6.325 -6.577 -3.474 137 2HB GLU 18 1HB GLU 18 -6.089 -8.197 -4.113 138 1HG GLU 18 2HG GLU 18 -7.228 -8.244 -1.454 139 2HG GLU 18 1HG GLU 18 -8.210 -7.307 -2.578 140 H ARG 19 H ARG 19 -3.387 -5.758 -2.215 141 HA ARG 19 HA ARG 19 -4.755 -4.599 0.105 142 1HB ARG 19 2HB ARG 19 -1.749 -4.800 -0.092 143 2HB ARG 19 1HB ARG 19 -2.686 -4.180 1.260 144 1HG ARG 19 2HG ARG 19 -2.592 -7.033 0.304 145 2HG ARG 19 1HG ARG 19 -1.854 -6.383 1.769 146 1HD ARG 19 2HD ARG 19 -4.610 -5.682 1.771 147 2HD ARG 19 1HD ARG 19 -4.477 -7.402 1.410 148 HE ARG 19 HE ARG 19 -4.077 -6.189 3.918 149 1HH1 ARG 19 1HH1 ARG 19 -2.719 -8.663 1.866 150 2HH1 ARG 19 2HH1 ARG 19 -2.085 -9.586 3.187 151 1HH2 ARG 19 1HH2 ARG 19 -3.247 -7.402 5.656 152 2HH2 ARG 19 2HH2 ARG 19 -2.385 -8.871 5.339 153 H TRP 20 H TRP 20 -3.754 -2.330 0.557 154 HA TRP 20 HA TRP 20 -3.527 -0.960 -2.038 155 1HB TRP 20 2HB TRP 20 -4.557 0.104 0.600 156 2HB TRP 20 1HB TRP 20 -4.460 1.018 -0.902 157 HD1 TRP 20 HD1 TRP 20 -6.516 -1.682 0.832 158 HE1 TRP 20 HE1 TRP 20 -8.689 -2.053 -0.488 159 HE3 TRP 20 HE3 TRP 20 -5.459 1.173 -3.270 160 HZ2 TRP 20 HZ2 TRP 20 -9.806 -1.245 -2.946 161 HZ3 TRP 20 HZ3 TRP 20 -7.133 1.322 -5.064 162 HH2 TRP 20 HH2 TRP 20 -9.266 0.138 -4.906 163 H TYR 21 H TYR 21 -2.103 0.781 -2.268 164 HA TYR 21 HA TYR 21 -0.166 1.327 -0.162 165 1HB TYR 21 2HB TYR 21 1.687 1.004 -1.965 166 2HB TYR 21 1HB TYR 21 1.057 -0.419 -1.137 167 HD1 TYR 21 HD1 TYR 21 -0.977 -1.573 -2.324 168 HD2 TYR 21 HD2 TYR 21 1.806 0.971 -4.287 169 HE1 TYR 21 HE1 TYR 21 -1.619 -2.545 -4.474 170 HE2 TYR 21 HE2 TYR 21 1.169 -0.001 -6.457 171 HH TYR 21 HH TYR 21 0.116 -1.943 -7.382 172 H PHE 22 H PHE 22 1.215 3.196 -0.704 173 HA PHE 22 HA PHE 22 -0.315 5.160 -2.187 174 1HB PHE 22 2HB PHE 22 2.370 5.647 -0.912 175 2HB PHE 22 1HB PHE 22 1.081 6.802 -1.221 176 HD1 PHE 22 HD2 PHE 22 2.178 4.036 0.929 177 HD2 PHE 22 HD1 PHE 22 -0.710 7.096 0.317 178 HE1 PHE 22 HE2 PHE 22 1.356 3.712 3.226 179 HE2 PHE 22 HE1 PHE 22 -1.538 6.781 2.612 180 HZ PHE 22 HZ PHE 22 -0.505 5.086 4.071 181 H ASN 23 H ASN 23 0.241 6.134 -4.076 182 HA ASN 23 HA ASN 23 2.713 5.222 -5.393 183 1HB ASN 23 2HB ASN 23 0.519 4.165 -6.236 184 2HB ASN 23 1HB ASN 23 0.161 5.755 -6.903 185 1HD2 ASN 23 1HD2 ASN 23 1.506 6.592 -8.539 186 2HD2 ASN 23 2HD2 ASN 23 2.483 5.552 -9.512 187 HN2 GLY 24 H GLY 24 3.498 7.278 -4.461 188 1HA GLY 24 2HA GLY 24 4.338 9.372 -4.994 189 2HA GLY 24 1HA GLY 24 3.327 9.375 -6.431 190 H ARG 25 H ARG 25 0.860 9.384 -5.755 191 HA ARG 25 HA ARG 25 0.406 11.188 -3.508 192 1HB ARG 25 2HB ARG 25 -0.717 12.849 -4.778 193 2HB ARG 25 1HB ARG 25 0.808 12.552 -5.600 194 1HG ARG 25 2HG ARG 25 -0.562 12.547 -7.400 195 2HG ARG 25 1HG ARG 25 -0.703 10.843 -6.961 196 1HD ARG 25 2HD ARG 25 -2.894 11.097 -6.710 197 2HD ARG 25 1HD ARG 25 -2.606 12.278 -5.432 198 HE ARG 25 HE ARG 25 -3.102 13.960 -6.910 199 1HH1 ARG 25 1HH1 ARG 25 -2.646 10.984 -8.676 200 2HH1 ARG 25 2HH1 ARG 25 -3.228 11.637 -10.171 201 1HH2 ARG 25 1HH2 ARG 25 -3.867 14.820 -8.875 202 2HH2 ARG 25 2HH2 ARG 25 -3.920 13.814 -10.284 203 H THR 26 H THR 26 -0.899 9.101 -6.023 204 HA THR 26 HA THR 26 -3.437 8.906 -4.573 205 HB THR 26 HB THR 26 -3.390 7.304 -6.952 206 HG1 THR 26 HG1 THR 26 -2.409 8.517 -8.333 207 1HG2 THR 26 1HG2 THR 26 -5.079 9.209 -5.702 208 2HG2 THR 26 2HG2 THR 26 -5.457 8.066 -6.991 209 3HG2 THR 26 3HG2 THR 26 -4.852 9.674 -7.389 210 H CYS 27 H CYS 27 -4.410 6.599 -4.705 211 HA CYS 27 HA CYS 27 -2.501 4.834 -3.401 212 1HB CYS 27 2HB CYS 27 -5.504 4.733 -3.705 213 2HB CYS 27 1HB CYS 27 -4.569 3.459 -2.928 214 H ALA 28 H ALA 28 -2.960 2.401 -3.857 215 HA ALA 28 HA ALA 28 -3.482 1.815 -6.648 216 1HB ALA 28 1HB ALA 28 -0.755 1.597 -5.429 217 2HB ALA 28 2HB ALA 28 -1.234 2.330 -6.959 218 3HB ALA 28 3HB ALA 28 -1.242 0.577 -6.783 219 H LYS 29 H LYS 29 -2.972 -0.692 -6.990 220 HA LYS 29 HA LYS 29 -3.534 -2.218 -4.573 221 1HB LYS 29 2HB LYS 29 -5.605 -1.398 -6.307 222 2HB LYS 29 1HB LYS 29 -5.363 -3.116 -6.598 223 1HG LYS 29 2HG LYS 29 -5.434 -3.314 -4.019 224 2HG LYS 29 1HG LYS 29 -6.196 -1.725 -4.091 225 1HD LYS 29 2HD LYS 29 -8.135 -2.584 -4.795 226 2HD LYS 29 1HD LYS 29 -7.339 -3.586 -6.010 227 1HE LYS 29 2HE LYS 29 -7.379 -5.407 -4.700 228 2HE LYS 29 1HE LYS 29 -6.926 -4.497 -3.260 229 1HZ LYS 29 1HZ LYS 29 -9.312 -5.583 -3.584 230 2HZ LYS 29 2HZ LYS 29 -9.621 -4.071 -4.275 231 3HZ LYS 29 3HZ LYS 29 -9.069 -4.175 -2.679 232 H PHE 30 H PHE 30 -2.835 -4.287 -4.632 233 HA PHE 30 HA PHE 30 -2.310 -5.692 -7.064 234 1HB PHE 30 2HB PHE 30 0.153 -5.968 -6.646 235 2HB PHE 30 1HB PHE 30 -0.332 -4.376 -7.209 236 HD1 PHE 30 HD2 PHE 30 -1.027 -5.120 -3.724 237 HD2 PHE 30 HD1 PHE 30 1.889 -3.616 -6.435 238 HE1 PHE 30 HE2 PHE 30 0.182 -4.104 -1.852 239 HE2 PHE 30 HE1 PHE 30 3.104 -2.594 -4.559 240 HZ PHE 30 HZ PHE 30 2.252 -2.836 -2.264 241 H ILE 31 H ILE 31 -0.923 -7.783 -6.465 242 HA ILE 31 HA ILE 31 -2.332 -8.935 -4.194 243 HB ILE 31 HB ILE 31 -0.501 -10.272 -6.186 244 1HG1 ILE 31 2HG1 ILE 31 -2.482 -9.269 -7.259 245 2HG1 ILE 31 1HG1 ILE 31 -2.536 -11.028 -7.307 246 1HG2 ILE 31 1HG2 ILE 31 -2.578 -11.818 -4.791 247 2HG2 ILE 31 2HG2 ILE 31 -1.256 -11.243 -3.777 248 3HG2 ILE 31 3HG2 ILE 31 -0.914 -12.248 -5.185 249 1HD1 ILE 31 1HD1 ILE 31 -4.709 -10.034 -6.785 250 2HD1 ILE 31 2HD1 ILE 31 -4.016 -9.299 -5.339 251 3HD1 ILE 31 3HD1 ILE 31 -4.114 -11.055 -5.475 252 H TYR 32 H TYR 32 -1.314 -8.170 -2.384 253 HA TYR 32 HA TYR 32 1.574 -8.440 -2.131 254 1HB TYR 32 2HB TYR 32 0.574 -6.365 -1.356 255 2HB TYR 32 1HB TYR 32 -0.503 -7.250 -0.283 256 HD1 TYR 32 HD1 TYR 32 3.146 -7.729 -0.849 257 HD2 TYR 32 HD2 TYR 32 0.092 -6.531 1.854 258 HE1 TYR 32 HE1 TYR 32 4.816 -7.558 0.947 259 HE2 TYR 32 HE2 TYR 32 1.751 -6.355 3.660 260 HH TYR 32 HH TYR 32 4.934 -7.580 3.357 261 HN2 GLY 33 H GLY 33 2.043 -10.586 -1.857 262 1HA GLY 33 2HA GLY 33 0.565 -12.420 -0.327 263 2HA GLY 33 1HA GLY 33 2.266 -12.587 -0.742 264 HN2 GLY 34 H GLY 34 2.699 -9.889 0.635 265 1HA GLY 34 2HA GLY 34 2.505 -9.171 2.964 266 2HA GLY 34 1HA GLY 34 2.535 -10.868 3.415 267 H CYS 35 H CYS 35 4.710 -10.304 0.912 268 HA CYS 35 HA CYS 35 6.917 -10.140 2.854 269 1HB CYS 35 2HB CYS 35 7.390 -11.151 0.086 270 2HB CYS 35 1HB CYS 35 8.166 -11.608 1.596 271 HN2 GLY 36 H GLY 36 7.601 -8.101 2.966 272 1HA GLY 36 2HA GLY 36 9.093 -6.486 1.957 273 2HA GLY 36 1HA GLY 36 8.273 -6.759 0.428 274 HN2 GLY 37 H GLY 37 8.065 -5.221 3.570 275 1HA GLY 37 2HA GLY 37 6.454 -3.108 2.471 276 2HA GLY 37 1HA GLY 37 5.565 -4.126 3.594 277 H ASN 38 H ASN 38 6.531 -1.257 3.662 278 HA ASN 38 HA ASN 38 7.727 -1.420 6.340 279 1HB ASN 38 2HB ASN 38 8.857 0.860 5.566 280 2HB ASN 38 1HB ASN 38 9.624 -0.698 5.274 281 1HD2 ASN 38 1HD2 ASN 38 10.775 0.219 3.542 282 2HD2 ASN 38 2HD2 ASN 38 10.020 0.515 2.017 283 HN2 GLY 39 H GLY 39 6.954 1.463 4.433 284 1HA GLY 39 2HA GLY 39 4.771 2.023 6.341 285 2HA GLY 39 1HA GLY 39 5.907 3.259 5.822 286 H ASN 40 H ASN 40 5.552 1.559 3.112 287 HA ASN 40 HA ASN 40 3.546 3.389 2.074 288 1HB ASN 40 2HB ASN 40 5.629 3.123 0.821 289 2HB ASN 40 1HB ASN 40 5.336 1.393 0.670 290 1HD2 ASN 40 1HD2 ASN 40 4.200 4.573 -0.264 291 2HD2 ASN 40 2HD2 ASN 40 3.361 4.064 -1.687 292 H LYS 41 H LYS 41 3.849 0.105 3.026 293 HA LYS 41 HA LYS 41 1.693 -0.942 1.461 294 1HB LYS 41 2HB LYS 41 3.630 -2.263 2.416 295 2HB LYS 41 1HB LYS 41 2.862 -2.102 3.990 296 1HG LYS 41 2HG LYS 41 2.265 -4.223 3.149 297 2HG LYS 41 1HG LYS 41 0.834 -3.201 2.999 298 1HD LYS 41 2HD LYS 41 2.333 -2.913 0.615 299 2HD LYS 41 1HD LYS 41 2.235 -4.639 0.968 300 1HE LYS 41 2HE LYS 41 0.212 -4.584 0.036 301 2HE LYS 41 1HE LYS 41 -0.322 -3.721 1.477 302 1HZ LYS 41 1HZ LYS 41 0.074 -1.639 0.386 303 2HZ LYS 41 2HZ LYS 41 -0.904 -2.587 -0.615 304 3HZ LYS 41 3HZ LYS 41 0.740 -2.408 -0.965 305 H PHE 42 H PHE 42 -0.335 -1.708 2.292 306 HA PHE 42 HA PHE 42 -1.271 -1.067 4.880 307 1HB PHE 42 2HB PHE 42 -1.580 0.972 2.789 308 2HB PHE 42 1HB PHE 42 -3.080 0.556 3.612 309 HD1 PHE 42 HD1 PHE 42 -2.948 0.502 6.222 310 HD2 PHE 42 HD2 PHE 42 -0.199 2.563 3.713 311 HE1 PHE 42 HE1 PHE 42 -2.314 1.945 8.111 312 HE2 PHE 42 HE2 PHE 42 0.441 4.011 5.597 313 HZ PHE 42 HZ PHE 42 -0.617 3.704 7.799 314 HA PRO 43 HA PRO 43 -4.063 -4.240 3.556 315 1HB PRO 43 2HB PRO 43 -5.836 -3.378 5.745 316 2HB PRO 43 1HB PRO 43 -5.016 -4.924 5.505 317 1HG PRO 43 2HG PRO 43 -4.239 -3.198 7.407 318 2HG PRO 43 1HG PRO 43 -3.075 -4.205 6.526 319 1HD PRO 43 2HD PRO 43 -3.753 -1.311 6.144 320 2HD PRO 43 1HD PRO 43 -2.168 -2.115 6.110 321 H THR 44 H THR 44 -5.805 -1.343 4.738 322 HA THR 44 HA THR 44 -7.641 -1.642 2.459 323 HB THR 44 HB THR 44 -9.162 -0.170 3.877 324 HG1 THR 44 HG1 THR 44 -7.388 0.446 5.310 325 1HG2 THR 44 1HG2 THR 44 -8.752 -2.940 3.974 326 2HG2 THR 44 2HG2 THR 44 -10.198 -2.039 4.432 327 3HG2 THR 44 3HG2 THR 44 -8.967 -2.407 5.641 328 H GLN 45 H GLN 45 -8.430 0.265 1.415 329 HA GLN 45 HA GLN 45 -6.373 2.146 0.842 330 1HB GLN 45 2HB GLN 45 -8.206 1.305 -0.730 331 2HB GLN 45 1HB GLN 45 -9.276 2.438 0.084 332 1HG GLN 45 2HG GLN 45 -7.172 4.039 -0.527 333 2HG GLN 45 1HG GLN 45 -7.165 2.916 -1.886 334 1HE2 GLN 45 1HE2 GLN 45 -8.572 3.223 -3.484 335 2HE2 GLN 45 2HE2 GLN 45 -9.879 4.352 -3.461 336 H GLU 46 H GLU 46 -9.044 2.074 3.045 337 HA GLU 46 HA GLU 46 -9.582 4.755 3.453 338 1HB GLU 46 2HB GLU 46 -10.485 2.506 4.584 339 2HB GLU 46 1HB GLU 46 -9.394 3.021 5.862 340 1HG GLU 46 2HG GLU 46 -10.555 5.117 6.075 341 2HG GLU 46 1HG GLU 46 -11.580 4.727 4.694 342 H ALA 47 H ALA 47 -6.900 2.815 4.629 343 HA ALA 47 HA ALA 47 -5.864 4.936 6.295 344 1HB ALA 47 1HB ALA 47 -3.825 3.172 6.135 345 2HB ALA 47 2HB ALA 47 -5.188 2.122 5.753 346 3HB ALA 47 3HB ALA 47 -5.167 3.025 7.269 347 H CYS 48 H CYS 48 -5.285 3.596 3.111 348 HA CYS 48 HA CYS 48 -2.841 4.910 2.579 349 1HB CYS 48 2HB CYS 48 -3.480 3.041 1.219 350 2HB CYS 48 1HB CYS 48 -4.990 3.818 0.758 351 H MET 49 H MET 49 -6.207 5.849 2.191 352 HA MET 49 HA MET 49 -5.559 8.280 0.784 353 1HB MET 49 2HB MET 49 -7.915 6.744 1.314 354 2HB MET 49 1HB MET 49 -8.195 8.400 1.831 355 1HG MET 49 2HG MET 49 -6.907 8.416 -0.717 356 2HG MET 49 1HG MET 49 -8.301 7.341 -0.773 357 1HE MET 49 1HE MET 49 -11.123 8.681 -0.656 358 2HE MET 49 2HE MET 49 -9.978 7.985 -1.803 359 3HE MET 49 3HE MET 49 -10.628 9.601 -2.078 360 H LYS 50 H LYS 50 -6.264 7.323 4.079 361 HA LYS 50 HA LYS 50 -6.559 10.002 5.056 362 1HB LYS 50 2HB LYS 50 -7.615 8.015 6.126 363 2HB LYS 50 1HB LYS 50 -6.017 7.471 6.613 364 1HG LYS 50 2HG LYS 50 -5.845 9.794 7.748 365 2HG LYS 50 1HG LYS 50 -7.603 9.798 7.603 366 1HD LYS 50 2HD LYS 50 -7.858 8.257 9.220 367 2HD LYS 50 1HD LYS 50 -6.482 7.303 8.659 368 1HE LYS 50 2HE LYS 50 -5.217 9.488 9.634 369 2HE LYS 50 1HE LYS 50 -6.618 9.420 10.701 370 1HZ LYS 50 1HZ LYS 50 -4.380 7.568 10.452 371 2HZ LYS 50 2HZ LYS 50 -5.895 6.887 10.766 372 3HZ LYS 50 3HZ LYS 50 -5.251 8.036 11.826 373 H ARG 51 H ARG 51 -3.877 8.058 4.258 374 HA ARG 51 HA ARG 51 -2.104 9.454 6.108 375 1HB ARG 51 2HB ARG 51 -2.025 6.931 4.642 376 2HB ARG 51 1HB ARG 51 -0.511 7.822 4.547 377 1HG ARG 51 2HG ARG 51 -1.752 7.578 7.220 378 2HG ARG 51 1HG ARG 51 -1.068 6.114 6.510 379 1HD ARG 51 2HD ARG 51 0.730 7.001 7.670 380 2HD ARG 51 1HD ARG 51 0.996 7.598 6.033 381 HE ARG 51 HE ARG 51 -0.452 9.565 7.247 382 1HH1 ARG 51 1HH1 ARG 51 2.553 7.938 7.952 383 2HH1 ARG 51 2HH1 ARG 51 3.252 9.306 8.752 384 1HH2 ARG 51 1HH2 ARG 51 0.466 11.367 8.298 385 2HH2 ARG 51 2HH2 ARG 51 2.066 11.252 8.950 386 H CYS 52 H CYS 52 -2.869 9.317 2.684 387 HA CYS 52 HA CYS 52 -0.875 11.446 2.248 388 1HB CYS 52 2HB CYS 52 -1.028 8.926 0.992 389 2HB CYS 52 1HB CYS 52 -1.535 10.108 -0.208 390 H ALA 53 H ALA 53 -4.128 10.310 1.597 391 HA ALA 53 HA ALA 53 -4.709 12.552 -0.145 392 1HB ALA 53 1HB ALA 53 -6.574 11.439 -0.765 393 2HB ALA 53 2HB ALA 53 -6.922 10.882 0.872 394 3HB ALA 53 3HB ALA 53 -5.698 10.063 -0.098 395 H LYS 54 H LYS 54 -5.016 11.739 3.208 396 HA LYS 54 HA LYS 54 -6.770 14.049 3.654 397 1HB LYS 54 2HB LYS 54 -7.343 11.756 4.601 398 2HB LYS 54 1HB LYS 54 -5.986 11.977 5.697 399 1HG LYS 54 2HG LYS 54 -7.055 13.565 6.927 400 2HG LYS 54 1HG LYS 54 -8.018 14.133 5.562 401 1HD LYS 54 2HD LYS 54 -8.926 11.573 5.875 402 2HD LYS 54 1HD LYS 54 -8.597 12.054 7.541 403 1HE LYS 54 2HE LYS 54 -10.274 13.560 7.573 404 2HE LYS 54 1HE LYS 54 -9.997 14.058 5.905 405 1HZ LYS 54 1HZ LYS 54 -11.683 11.902 6.946 406 2HZ LYS 54 2HZ LYS 54 -10.964 11.686 5.430 407 3HZ LYS 54 3HZ LYS 54 -11.989 13.004 5.699 408 H ALA 55 H ALA 55 -3.595 12.770 4.325 409 HA ALA 55 HA ALA 55 -2.938 14.851 6.222 410 1HB ALA 55 1HB ALA 55 -2.002 12.565 6.403 411 2HB ALA 55 2HB ALA 55 -0.764 13.819 6.339 412 3HB ALA 55 3HB ALA 55 -1.109 12.846 4.909 Start of MODEL 2 1 1H ILE 1 1H ILE 1 8.388 14.101 0.335 2 2H ILE 1 2H ILE 1 9.235 14.196 1.825 3 3H ILE 1 3H ILE 1 7.805 13.254 1.707 4 HA ILE 1 HA ILE 1 8.951 11.900 0.024 5 HB ILE 1 HB ILE 1 10.712 13.541 -0.504 6 1HG1 ILE 1 2HG1 ILE 1 12.547 11.961 -0.672 7 2HG1 ILE 1 1HG1 ILE 1 11.859 10.969 0.607 8 1HG2 ILE 1 1HG2 ILE 1 12.638 13.145 1.450 9 2HG2 ILE 1 2HG2 ILE 1 11.142 13.399 2.352 10 3HG2 ILE 1 3HG2 ILE 1 11.685 14.605 1.185 11 1HD1 ILE 1 1HD1 ILE 1 10.573 11.470 -2.066 12 2HD1 ILE 1 2HD1 ILE 1 9.986 10.394 -0.798 13 3HD1 ILE 1 3HD1 ILE 1 11.498 10.033 -1.631 14 H ASP 2 H ASP 2 7.651 11.147 2.062 15 HA ASP 2 HA ASP 2 9.546 9.973 3.980 16 1HB ASP 2 2HB ASP 2 6.583 10.502 4.298 17 2HB ASP 2 1HB ASP 2 7.623 9.766 5.516 18 H THR 3 H THR 3 6.620 8.474 4.377 19 HA THR 3 HA THR 3 7.577 6.088 3.025 20 HB THR 3 HB THR 3 5.225 6.479 4.883 21 HG1 THR 3 HG1 THR 3 7.816 5.440 5.386 22 1HG2 THR 3 1HG2 THR 3 5.441 4.024 5.233 23 2HG2 THR 3 2HG2 THR 3 6.520 3.977 3.839 24 3HG2 THR 3 3HG2 THR 3 4.844 4.491 3.640 25 H CYS 4 H CYS 4 4.925 8.366 2.882 26 HA CYS 4 HA CYS 4 3.218 6.905 1.200 27 1HB CYS 4 2HB CYS 4 3.492 9.744 2.011 28 2HB CYS 4 1HB CYS 4 2.561 9.426 0.551 29 H ARG 5 H ARG 5 6.235 8.325 0.488 30 HA ARG 5 HA ARG 5 5.576 8.625 -2.343 31 1HB ARG 5 2HB ARG 5 8.281 9.154 -1.151 32 2HB ARG 5 1HB ARG 5 7.569 9.834 -2.605 33 1HG ARG 5 2HG ARG 5 7.025 10.535 0.254 34 2HG ARG 5 1HG ARG 5 7.541 11.578 -1.069 35 1HD ARG 5 2HD ARG 5 5.362 11.358 -2.121 36 2HD ARG 5 1HD ARG 5 4.841 10.260 -0.848 37 HE ARG 5 HE ARG 5 4.771 12.063 0.662 38 1HH1 ARG 5 1HH1 ARG 5 5.636 13.084 -2.572 39 2HH1 ARG 5 2HH1 ARG 5 5.260 14.746 -2.275 40 1HH2 ARG 5 1HH2 ARG 5 4.287 14.248 1.042 41 2HH2 ARG 5 2HH2 ARG 5 4.498 15.407 -0.229 42 H LEU 6 H LEU 6 7.414 6.569 -0.181 43 HA LEU 6 HA LEU 6 8.763 5.207 -2.333 44 1HB LEU 6 2HB LEU 6 9.795 3.871 -0.677 45 2HB LEU 6 1HB LEU 6 9.730 5.501 -0.039 46 HG LEU 6 HG LEU 6 7.480 4.559 1.054 47 1HD1 LEU 6 1HD1 LEU 6 8.303 2.289 -0.134 48 2HD1 LEU 6 2HD1 LEU 6 7.348 2.330 1.348 49 3HD1 LEU 6 3HD1 LEU 6 9.098 2.129 1.433 50 1HD2 LEU 6 1HD2 LEU 6 9.545 5.548 2.127 51 2HD2 LEU 6 2HD2 LEU 6 10.159 3.899 2.248 52 3HD2 LEU 6 3HD2 LEU 6 8.672 4.350 3.082 53 HA PRO 7 HA PRO 7 5.180 2.628 -3.190 54 1HB PRO 7 2HB PRO 7 7.122 1.168 -4.875 55 2HB PRO 7 1HB PRO 7 5.586 1.917 -5.322 56 1HG PRO 7 2HG PRO 7 7.919 3.001 -6.047 57 2HG PRO 7 1HG PRO 7 6.534 4.011 -5.592 58 1HD PRO 7 2HD PRO 7 8.965 3.295 -3.997 59 2HD PRO 7 1HD PRO 7 8.110 4.848 -4.115 60 H SER 8 H SER 8 4.554 0.458 -2.813 61 HA SER 8 HA SER 8 6.424 -1.034 -1.098 62 1HB SER 8 2HB SER 8 3.752 -0.213 -0.654 63 2HB SER 8 1HB SER 8 3.717 -1.967 -0.840 64 HG SER 8 HG SER 8 5.351 -0.482 0.947 65 H ASP 9 H ASP 9 6.842 -3.164 -1.482 66 HA ASP 9 HA ASP 9 5.882 -4.213 -4.045 67 1HB ASP 9 2HB ASP 9 8.388 -4.423 -2.533 68 2HB ASP 9 1HB ASP 9 7.832 -5.958 -3.195 69 H ARG 10 H ARG 10 4.840 -6.157 -4.233 70 HA ARG 10 HA ARG 10 3.658 -7.202 -1.792 71 1HB ARG 10 2HB ARG 10 2.221 -8.491 -3.336 72 2HB ARG 10 1HB ARG 10 2.160 -6.759 -3.631 73 1HG ARG 10 2HG ARG 10 4.175 -7.637 -5.304 74 2HG ARG 10 1HG ARG 10 2.972 -8.923 -5.381 75 1HD ARG 10 2HD ARG 10 1.921 -6.177 -5.532 76 2HD ARG 10 1HD ARG 10 2.906 -6.695 -6.900 77 HE ARG 10 HE ARG 10 0.743 -8.450 -6.035 78 1HH1 ARG 10 1HH1 ARG 10 1.918 -6.103 -8.344 79 2HH1 ARG 10 2HH1 ARG 10 0.767 -6.542 -9.560 80 1HH2 ARG 10 1HH2 ARG 10 -0.773 -9.019 -7.638 81 2HH2 ARG 10 2HH2 ARG 10 -0.761 -8.193 -9.160 82 HN2 GLY 11 H GLY 11 6.442 -7.862 -3.405 83 1HA GLY 11 2HA GLY 11 7.799 -9.704 -3.643 84 2HA GLY 11 1HA GLY 11 7.145 -10.137 -2.075 85 H ARG 12 H ARG 12 7.766 -12.276 -3.273 86 HA ARG 12 HA ARG 12 5.411 -13.225 -4.765 87 1HB ARG 12 2HB ARG 12 7.035 -15.152 -5.375 88 2HB ARG 12 1HB ARG 12 7.207 -13.603 -6.187 89 1HG ARG 12 2HG ARG 12 9.013 -13.017 -4.606 90 2HG ARG 12 1HG ARG 12 8.874 -14.629 -3.898 91 1HD ARG 12 2HD ARG 12 9.158 -14.599 -6.817 92 2HD ARG 12 1HD ARG 12 10.546 -13.953 -5.945 93 HE ARG 12 HE ARG 12 9.675 -16.690 -6.039 94 1HH1 ARG 12 1HH1 ARG 12 11.469 -14.316 -4.215 95 2HH1 ARG 12 2HH1 ARG 12 12.440 -15.494 -3.399 96 1HH2 ARG 12 1HH2 ARG 12 10.952 -18.241 -4.964 97 2HH2 ARG 12 2HH2 ARG 12 12.149 -17.723 -3.824 98 H CYS 13 H CYS 13 7.078 -13.467 -1.819 99 HA CYS 13 HA CYS 13 6.968 -15.966 -0.892 100 1HB CYS 13 2HB CYS 13 6.086 -14.916 1.328 101 2HB CYS 13 1HB CYS 13 7.652 -14.433 0.693 102 H LYS 14 H LYS 14 4.174 -14.203 0.346 103 HA LYS 14 HA LYS 14 2.507 -16.481 -0.466 104 1HB LYS 14 2HB LYS 14 2.931 -15.318 2.058 105 2HB LYS 14 1HB LYS 14 1.309 -14.836 1.583 106 1HG LYS 14 2HG LYS 14 0.665 -16.798 2.411 107 2HG LYS 14 1HG LYS 14 1.341 -17.497 0.939 108 1HD LYS 14 2HD LYS 14 3.560 -17.261 2.505 109 2HD LYS 14 1HD LYS 14 2.314 -17.615 3.704 110 1HE LYS 14 2HE LYS 14 1.859 -19.690 2.814 111 2HE LYS 14 1HE LYS 14 2.444 -19.247 1.211 112 1HZ LYS 14 1HZ LYS 14 4.685 -19.045 2.629 113 2HZ LYS 14 2HZ LYS 14 4.206 -20.467 1.847 114 3HZ LYS 14 3HZ LYS 14 3.907 -20.270 3.500 115 H ALA 15 H ALA 15 2.897 -14.556 -2.381 116 HA ALA 15 HA ALA 15 1.128 -12.401 -2.411 117 1HB ALA 15 1HB ALA 15 1.543 -12.224 -4.693 118 2HB ALA 15 2HB ALA 15 1.744 -13.965 -4.889 119 3HB ALA 15 3HB ALA 15 2.990 -13.020 -4.074 120 H SER 16 H SER 16 -0.904 -12.830 -1.650 121 HA SER 16 HA SER 16 -2.790 -13.893 -3.478 122 1HB SER 16 2HB SER 16 -1.963 -15.612 -1.154 123 2HB SER 16 1HB SER 16 -3.593 -15.715 -1.819 124 HG SER 16 HG SER 16 -2.465 -16.016 -3.909 125 H PHE 17 H PHE 17 -2.292 -11.537 -1.768 126 HA PHE 17 HA PHE 17 -4.967 -11.378 -0.609 127 1HB PHE 17 2HB PHE 17 -2.400 -11.008 0.896 128 2HB PHE 17 1HB PHE 17 -3.822 -10.075 1.352 129 HD1 PHE 17 HD1 PHE 17 -2.670 -13.560 0.772 130 HD2 PHE 17 HD2 PHE 17 -5.401 -10.987 2.777 131 HE1 PHE 17 HE1 PHE 17 -3.491 -15.467 2.091 132 HE2 PHE 17 HE2 PHE 17 -6.228 -12.888 4.100 133 HZ PHE 17 HZ PHE 17 -5.272 -15.132 3.758 134 H GLU 18 H GLU 18 -5.859 -9.738 -1.681 135 HA GLU 18 HA GLU 18 -4.350 -7.699 -2.950 136 1HB GLU 18 2HB GLU 18 -6.626 -6.656 -3.328 137 2HB GLU 18 1HB GLU 18 -6.418 -8.289 -3.948 138 1HG GLU 18 2HG GLU 18 -7.910 -9.177 -2.507 139 2HG GLU 18 1HG GLU 18 -7.499 -8.053 -1.214 140 H ARG 19 H ARG 19 -3.755 -5.737 -2.303 141 HA ARG 19 HA ARG 19 -4.968 -4.550 0.077 142 1HB ARG 19 2HB ARG 19 -2.036 -5.152 -0.274 143 2HB ARG 19 1HB ARG 19 -2.612 -3.924 0.845 144 1HG ARG 19 2HG ARG 19 -4.142 -6.128 1.479 145 2HG ARG 19 1HG ARG 19 -2.557 -6.813 1.114 146 1HD ARG 19 2HD ARG 19 -1.506 -5.596 2.800 147 2HD ARG 19 1HD ARG 19 -2.819 -4.424 2.901 148 HE ARG 19 HE ARG 19 -3.890 -5.805 4.377 149 1HH1 ARG 19 1HH1 ARG 19 -1.407 -7.632 2.737 150 2HH1 ARG 19 2HH1 ARG 19 -1.590 -9.025 3.750 151 1HH2 ARG 19 1HH2 ARG 19 -4.133 -7.638 5.704 152 2HH2 ARG 19 2HH2 ARG 19 -3.138 -9.030 5.432 153 H TRP 20 H TRP 20 -3.917 -2.267 0.408 154 HA TRP 20 HA TRP 20 -3.775 -0.987 -2.245 155 1HB TRP 20 2HB TRP 20 -4.890 0.045 0.367 156 2HB TRP 20 1HB TRP 20 -4.651 1.053 -1.056 157 HD1 TRP 20 HD1 TRP 20 -6.792 -1.890 0.185 158 HE1 TRP 20 HE1 TRP 20 -8.917 -2.006 -1.255 159 HE3 TRP 20 HE3 TRP 20 -5.615 1.681 -3.273 160 HZ2 TRP 20 HZ2 TRP 20 -9.957 -0.751 -3.555 161 HZ3 TRP 20 HZ3 TRP 20 -7.231 2.164 -5.064 162 HH2 TRP 20 HH2 TRP 20 -9.358 0.972 -5.203 163 H TYR 21 H TYR 21 -2.363 0.753 -2.548 164 HA TYR 21 HA TYR 21 -0.354 1.221 -0.452 165 1HB TYR 21 2HB TYR 21 1.306 1.290 -2.516 166 2HB TYR 21 1HB TYR 21 0.934 -0.235 -1.712 167 HD1 TYR 21 HD1 TYR 21 -1.236 -1.425 -2.686 168 HD2 TYR 21 HD2 TYR 21 1.214 1.305 -4.830 169 HE1 TYR 21 HE1 TYR 21 -2.084 -2.327 -4.787 170 HE2 TYR 21 HE2 TYR 21 0.366 0.401 -6.955 171 HH TYR 21 HH TYR 21 -0.700 -1.676 -7.796 172 H PHE 22 H PHE 22 0.857 3.221 -0.773 173 HA PHE 22 HA PHE 22 -0.849 5.249 -1.974 174 1HB PHE 22 2HB PHE 22 0.445 5.242 0.381 175 2HB PHE 22 1HB PHE 22 1.667 6.030 -0.614 176 HD1 PHE 22 HD2 PHE 22 -2.002 6.197 0.032 177 HD2 PHE 22 HD1 PHE 22 1.595 8.312 -0.789 178 HE1 PHE 22 HE2 PHE 22 -3.212 8.326 0.241 179 HE2 PHE 22 HE1 PHE 22 0.394 10.446 -0.583 180 HZ PHE 22 HZ PHE 22 -2.015 10.457 -0.070 181 H ASN 23 H ASN 23 -0.518 5.242 -4.156 182 HA ASN 23 HA ASN 23 2.098 5.069 -5.307 183 1HB ASN 23 2HB ASN 23 -0.383 4.589 -6.282 184 2HB ASN 23 1HB ASN 23 -0.093 6.193 -6.948 185 1HD2 ASN 23 1HD2 ASN 23 -0.372 3.832 -8.458 186 2HD2 ASN 23 2HD2 ASN 23 1.123 3.539 -9.271 187 HN2 GLY 24 H GLY 24 2.770 6.813 -6.939 188 1HA GLY 24 2HA GLY 24 3.321 9.174 -5.501 189 2HA GLY 24 1HA GLY 24 3.650 8.913 -7.204 190 H ARG 25 H ARG 25 0.501 8.353 -7.230 191 HA ARG 25 HA ARG 25 -0.316 11.164 -7.128 192 1HB ARG 25 2HB ARG 25 -1.444 10.891 -9.355 193 2HB ARG 25 1HB ARG 25 0.313 10.925 -9.404 194 1HG ARG 25 2HG ARG 25 -1.097 8.302 -9.269 195 2HG ARG 25 1HG ARG 25 -1.017 9.175 -10.800 196 1HD ARG 25 2HD ARG 25 1.269 8.181 -9.113 197 2HD ARG 25 1HD ARG 25 0.832 7.682 -10.746 198 HE ARG 25 HE ARG 25 1.332 10.319 -11.032 199 1HH1 ARG 25 1HH1 ARG 25 3.144 7.701 -9.603 200 2HH1 ARG 25 2HH1 ARG 25 4.684 8.401 -9.970 201 1HH2 ARG 25 1HH2 ARG 25 3.358 11.239 -11.518 202 2HH2 ARG 25 2HH2 ARG 25 4.807 10.408 -11.058 203 H THR 26 H THR 26 -1.023 8.082 -6.181 204 HA THR 26 HA THR 26 -3.502 8.679 -5.099 205 HB THR 26 HB THR 26 -4.517 8.849 -7.222 206 HG1 THR 26 HG1 THR 26 -5.850 7.596 -6.045 207 1HG2 THR 26 1HG2 THR 26 -2.553 6.950 -8.053 208 2HG2 THR 26 2HG2 THR 26 -3.596 7.984 -9.028 209 3HG2 THR 26 3HG2 THR 26 -4.162 6.394 -8.514 210 H CYS 27 H CYS 27 -4.813 6.583 -4.616 211 HA CYS 27 HA CYS 27 -2.890 4.661 -3.578 212 1HB CYS 27 2HB CYS 27 -4.997 5.756 -2.372 213 2HB CYS 27 1HB CYS 27 -5.817 4.374 -3.090 214 H ALA 28 H ALA 28 -2.317 3.091 -4.911 215 HA ALA 28 HA ALA 28 -4.177 2.051 -6.883 216 1HB ALA 28 1HB ALA 28 -2.198 2.275 -7.956 217 2HB ALA 28 2HB ALA 28 -1.994 0.625 -7.375 218 3HB ALA 28 3HB ALA 28 -1.245 1.966 -6.507 219 H LYS 29 H LYS 29 -3.846 -0.480 -7.233 220 HA LYS 29 HA LYS 29 -4.010 -1.851 -4.652 221 1HB LYS 29 2HB LYS 29 -6.284 -1.109 -5.847 222 2HB LYS 29 1HB LYS 29 -6.015 -2.621 -6.701 223 1HG LYS 29 2HG LYS 29 -5.604 -3.420 -4.157 224 2HG LYS 29 1HG LYS 29 -6.789 -2.136 -3.909 225 1HD LYS 29 2HD LYS 29 -7.821 -3.494 -6.057 226 2HD LYS 29 1HD LYS 29 -7.111 -4.790 -5.090 227 1HE LYS 29 2HE LYS 29 -8.427 -4.235 -3.208 228 2HE LYS 29 1HE LYS 29 -8.909 -2.690 -3.906 229 1HZ LYS 29 1HZ LYS 29 -10.493 -3.652 -5.168 230 2HZ LYS 29 2HZ LYS 29 -10.443 -4.842 -3.967 231 3HZ LYS 29 3HZ LYS 29 -9.611 -5.074 -5.421 232 H PHE 30 H PHE 30 -3.420 -3.983 -4.645 233 HA PHE 30 HA PHE 30 -2.962 -5.493 -7.026 234 1HB PHE 30 2HB PHE 30 -0.518 -5.712 -6.777 235 2HB PHE 30 1HB PHE 30 -0.998 -4.070 -7.172 236 HD1 PHE 30 HD2 PHE 30 -1.786 -4.582 -3.786 237 HD2 PHE 30 HD1 PHE 30 1.523 -3.936 -6.386 238 HE1 PHE 30 HE2 PHE 30 -0.465 -3.758 -1.891 239 HE2 PHE 30 HE1 PHE 30 2.848 -3.107 -4.490 240 HZ PHE 30 HZ PHE 30 1.856 -3.019 -2.240 241 H ILE 31 H ILE 31 -1.576 -7.565 -6.369 242 HA ILE 31 HA ILE 31 -2.893 -8.582 -3.977 243 HB ILE 31 HB ILE 31 -1.213 -10.027 -6.033 244 1HG1 ILE 31 2HG1 ILE 31 -3.912 -10.908 -5.989 245 2HG1 ILE 31 1HG1 ILE 31 -3.940 -9.148 -6.047 246 1HG2 ILE 31 1HG2 ILE 31 -2.727 -11.010 -3.629 247 2HG2 ILE 31 2HG2 ILE 31 -1.031 -11.269 -4.038 248 3HG2 ILE 31 3HG2 ILE 31 -2.295 -12.066 -4.974 249 1HD1 ILE 31 1HD1 ILE 31 -3.922 -10.457 -8.247 250 2HD1 ILE 31 2HD1 ILE 31 -2.210 -10.717 -7.907 251 3HD1 ILE 31 3HD1 ILE 31 -2.838 -9.078 -8.080 252 H TYR 32 H TYR 32 -1.884 -8.072 -2.158 253 HA TYR 32 HA TYR 32 1.012 -7.971 -2.029 254 1HB TYR 32 2HB TYR 32 -0.548 -6.270 -0.951 255 2HB TYR 32 1HB TYR 32 -0.913 -7.511 0.241 256 HD1 TYR 32 HD2 TYR 32 1.903 -5.577 -1.229 257 HD2 TYR 32 HD1 TYR 32 0.473 -7.804 2.101 258 HE1 TYR 32 HE2 TYR 32 3.885 -4.906 0.063 259 HE2 TYR 32 HE1 TYR 32 2.449 -7.139 3.403 260 HH TYR 32 HH TYR 32 4.928 -6.380 2.732 261 HN2 GLY 33 H GLY 33 2.230 -9.597 -1.401 262 1HA GLY 33 2HA GLY 33 0.987 -11.977 -0.267 263 2HA GLY 33 1HA GLY 33 2.635 -11.846 -0.866 264 HN2 GLY 34 H GLY 34 3.238 -9.442 0.655 265 1HA GLY 34 2HA GLY 34 2.985 -9.064 3.182 266 2HA GLY 34 1HA GLY 34 3.553 -10.723 3.289 267 H CYS 35 H CYS 35 5.386 -10.286 0.968 268 HA CYS 35 HA CYS 35 7.447 -8.800 2.446 269 1HB CYS 35 2HB CYS 35 9.108 -10.197 1.245 270 2HB CYS 35 1HB CYS 35 8.029 -11.133 2.268 271 HN2 GLY 36 H GLY 36 8.646 -7.248 1.473 272 1HA GLY 36 2HA GLY 36 9.529 -6.331 -0.651 273 2HA GLY 36 1HA GLY 36 7.924 -6.589 -1.317 274 HN2 GLY 37 H GLY 37 6.542 -5.657 1.076 275 1HA GLY 37 2HA GLY 37 6.730 -2.811 0.507 276 2HA GLY 37 1HA GLY 37 5.477 -3.607 1.447 277 H ASN 38 H ASN 38 5.749 -1.818 2.934 278 HA ASN 38 HA ASN 38 7.384 -2.517 5.138 279 1HB ASN 38 2HB ASN 38 8.557 -0.132 5.024 280 2HB ASN 38 1HB ASN 38 9.280 -1.554 4.279 281 1HD2 ASN 38 1HD2 ASN 38 10.307 -0.738 2.572 282 2HD2 ASN 38 2HD2 ASN 38 9.572 0.202 1.323 283 HN2 GLY 39 H GLY 39 6.499 0.724 3.982 284 1HA GLY 39 2HA GLY 39 4.442 0.825 6.097 285 2HA GLY 39 1HA GLY 39 5.576 2.144 5.860 286 H ASN 40 H ASN 40 5.012 1.046 2.841 287 HA ASN 40 HA ASN 40 3.093 3.170 2.310 288 1HB ASN 40 2HB ASN 40 5.068 3.055 0.896 289 2HB ASN 40 1HB ASN 40 4.699 1.390 0.462 290 1HD2 ASN 40 1HD2 ASN 40 3.653 4.719 0.158 291 2HD2 ASN 40 2HD2 ASN 40 2.731 4.495 -1.285 292 H LYS 41 H LYS 41 3.188 -0.261 2.590 293 HA LYS 41 HA LYS 41 0.872 -0.796 0.987 294 1HB LYS 41 2HB LYS 41 0.983 -3.047 2.144 295 2HB LYS 41 1HB LYS 41 2.403 -2.589 1.216 296 1HG LYS 41 2HG LYS 41 3.710 -2.749 2.998 297 2HG LYS 41 1HG LYS 41 2.647 -1.705 3.945 298 1HD LYS 41 2HD LYS 41 1.385 -3.504 4.731 299 2HD LYS 41 1HD LYS 41 1.940 -4.576 3.444 300 1HE LYS 41 2HE LYS 41 4.276 -4.242 4.510 301 2HE LYS 41 1HE LYS 41 3.372 -3.687 5.919 302 1HZ LYS 41 1HZ LYS 41 3.636 -6.363 4.823 303 2HZ LYS 41 2HZ LYS 41 2.091 -5.951 5.373 304 3HZ LYS 41 3HZ LYS 41 3.413 -5.864 6.425 305 H PHE 42 H PHE 42 -1.190 -1.432 1.725 306 HA PHE 42 HA PHE 42 -1.879 -1.110 4.513 307 1HB PHE 42 2HB PHE 42 -3.067 0.739 2.432 308 2HB PHE 42 1HB PHE 42 -3.570 0.631 4.116 309 HD1 PHE 42 HD2 PHE 42 -1.630 0.994 5.863 310 HD2 PHE 42 HD1 PHE 42 -1.567 2.370 1.837 311 HE1 PHE 42 HE2 PHE 42 0.047 2.688 6.472 312 HE2 PHE 42 HE1 PHE 42 0.112 4.065 2.438 313 HZ PHE 42 HZ PHE 42 0.920 4.225 4.758 314 HA PRO 43 HA PRO 43 -4.773 -4.266 3.437 315 1HB PRO 43 2HB PRO 43 -6.597 -3.088 5.448 316 2HB PRO 43 1HB PRO 43 -5.902 -4.710 5.373 317 1HG PRO 43 2HG PRO 43 -5.043 -2.917 7.160 318 2HG PRO 43 1HG PRO 43 -3.925 -4.053 6.381 319 1HD PRO 43 2HD PRO 43 -4.389 -1.153 5.805 320 2HD PRO 43 1HD PRO 43 -2.868 -2.068 5.839 321 H THR 44 H THR 44 -6.311 -1.108 4.088 322 HA THR 44 HA THR 44 -7.953 -1.522 1.683 323 HB THR 44 HB THR 44 -9.588 0.041 3.107 324 HG1 THR 44 HG1 THR 44 -9.524 -0.526 5.264 325 1HG2 THR 44 1HG2 THR 44 -10.948 -1.780 3.525 326 2HG2 THR 44 2HG2 THR 44 -9.584 -2.863 3.804 327 3HG2 THR 44 3HG2 THR 44 -9.962 -2.322 2.168 328 H GLN 45 H GLN 45 -8.786 0.491 0.734 329 HA GLN 45 HA GLN 45 -6.700 2.388 0.394 330 1HB GLN 45 2HB GLN 45 -8.530 1.666 -1.276 331 2HB GLN 45 1HB GLN 45 -9.554 2.831 -0.448 332 1HG GLN 45 2HG GLN 45 -7.472 4.409 -0.904 333 2HG GLN 45 1HG GLN 45 -7.232 3.269 -2.227 334 1HE2 GLN 45 1HE2 GLN 45 -8.595 6.121 -1.438 335 2HE2 GLN 45 2HE2 GLN 45 -9.846 6.198 -2.627 336 H GLU 46 H GLU 46 -9.580 2.269 2.359 337 HA GLU 46 HA GLU 46 -9.782 5.009 2.979 338 1HB GLU 46 2HB GLU 46 -11.281 2.810 3.530 339 2HB GLU 46 1HB GLU 46 -10.541 3.101 5.099 340 1HG GLU 46 2HG GLU 46 -11.396 5.385 5.085 341 2HG GLU 46 1HG GLU 46 -12.131 5.102 3.508 342 H ALA 47 H ALA 47 -7.483 2.663 3.914 343 HA ALA 47 HA ALA 47 -6.737 4.045 6.361 344 1HB ALA 47 1HB ALA 47 -6.405 1.847 6.784 345 2HB ALA 47 2HB ALA 47 -4.818 2.202 6.103 346 3HB ALA 47 3HB ALA 47 -6.062 1.459 5.098 347 H CYS 48 H CYS 48 -5.563 3.604 3.069 348 HA CYS 48 HA CYS 48 -3.027 4.825 3.514 349 1HB CYS 48 2HB CYS 48 -2.719 4.710 1.152 350 2HB CYS 48 1HB CYS 48 -3.589 3.256 1.621 351 H MET 49 H MET 49 -6.197 6.028 2.660 352 HA MET 49 HA MET 49 -5.167 8.674 2.040 353 1HB MET 49 2HB MET 49 -7.783 7.294 1.794 354 2HB MET 49 1HB MET 49 -7.824 9.038 2.018 355 1HG MET 49 2HG MET 49 -5.992 8.910 0.084 356 2HG MET 49 1HG MET 49 -6.889 7.437 -0.281 357 1HE MET 49 1HE MET 49 -10.556 9.165 -0.274 358 2HE MET 49 2HE MET 49 -9.624 8.313 0.959 359 3HE MET 49 3HE MET 49 -9.803 7.615 -0.651 360 H LYS 50 H LYS 50 -6.843 7.019 4.638 361 HA LYS 50 HA LYS 50 -7.552 9.364 6.087 362 1HB LYS 50 2HB LYS 50 -8.675 7.171 6.370 363 2HB LYS 50 1HB LYS 50 -7.212 6.539 7.110 364 1HG LYS 50 2HG LYS 50 -7.518 8.533 8.758 365 2HG LYS 50 1HG LYS 50 -9.184 8.502 8.181 366 1HD LYS 50 2HD LYS 50 -9.210 7.115 10.061 367 2HD LYS 50 1HD LYS 50 -9.109 5.990 8.704 368 1HE LYS 50 2HE LYS 50 -6.724 5.750 9.037 369 2HE LYS 50 1HE LYS 50 -6.754 6.959 10.320 370 1HZ LYS 50 1HZ LYS 50 -8.507 4.641 10.616 371 2HZ LYS 50 2HZ LYS 50 -7.659 5.513 11.791 372 3HZ LYS 50 3HZ LYS 50 -6.847 4.387 10.825 373 H ARG 51 H ARG 51 -4.592 7.700 5.676 374 HA ARG 51 HA ARG 51 -3.493 8.864 8.135 375 1HB ARG 51 2HB ARG 51 -3.218 6.356 7.307 376 2HB ARG 51 1HB ARG 51 -1.883 7.055 6.402 377 1HG ARG 51 2HG ARG 51 -0.945 7.930 8.499 378 2HG ARG 51 1HG ARG 51 -2.263 7.161 9.388 379 1HD ARG 51 2HD ARG 51 -0.386 5.709 9.527 380 2HD ARG 51 1HD ARG 51 -1.525 4.977 8.399 381 HE ARG 51 HE ARG 51 0.109 6.378 6.774 382 1HH1 ARG 51 1HH1 ARG 51 0.712 4.058 9.312 383 2HH1 ARG 51 2HH1 ARG 51 2.179 3.476 8.603 384 1HH2 ARG 51 1HH2 ARG 51 2.040 5.612 5.839 385 2HH2 ARG 51 2HH2 ARG 51 2.933 4.356 6.631 386 H CYS 52 H CYS 52 -3.238 8.968 4.644 387 HA CYS 52 HA CYS 52 -1.015 10.877 4.861 388 1HB CYS 52 2HB CYS 52 -1.239 8.739 3.223 389 2HB CYS 52 1HB CYS 52 -1.917 9.992 2.189 390 H ALA 53 H ALA 53 -4.287 10.523 3.583 391 HA ALA 53 HA ALA 53 -4.298 13.211 2.509 392 1HB ALA 53 1HB ALA 53 -6.161 12.616 1.385 393 2HB ALA 53 2HB ALA 53 -6.848 11.754 2.762 394 3HB ALA 53 3HB ALA 53 -5.611 10.984 1.767 395 H LYS 54 H LYS 54 -5.369 11.551 5.384 396 HA LYS 54 HA LYS 54 -6.972 13.791 6.281 397 1HB LYS 54 2HB LYS 54 -6.871 11.035 6.865 398 2HB LYS 54 1HB LYS 54 -6.438 11.865 8.353 399 1HG LYS 54 2HG LYS 54 -8.923 12.356 6.725 400 2HG LYS 54 1HG LYS 54 -8.831 11.434 8.227 401 1HD LYS 54 2HD LYS 54 -7.626 14.001 8.617 402 2HD LYS 54 1HD LYS 54 -9.228 14.212 7.906 403 1HE LYS 54 2HE LYS 54 -8.996 12.261 10.119 404 2HE LYS 54 1HE LYS 54 -8.810 13.963 10.541 405 1HZ LYS 54 1HZ LYS 54 -11.079 13.124 8.870 406 2HZ LYS 54 2HZ LYS 54 -10.953 14.444 9.917 407 3HZ LYS 54 3HZ LYS 54 -11.147 12.885 10.544 408 H ALA 55 H ALA 55 -4.186 12.027 7.653 409 HA ALA 55 HA ALA 55 -3.506 14.362 9.255 410 1HB ALA 55 1HB ALA 55 -2.546 11.521 9.208 411 2HB ALA 55 2HB ALA 55 -3.355 12.398 10.508 412 3HB ALA 55 3HB ALA 55 -1.680 12.771 10.102 Start of MODEL 3 1 1H ILE 1 1H ILE 1 4.794 13.604 4.292 2 2H ILE 1 2H ILE 1 3.129 13.967 4.087 3 3H ILE 1 3H ILE 1 4.237 14.257 2.809 4 HA ILE 1 HA ILE 1 3.532 11.634 3.941 5 HB ILE 1 HB ILE 1 2.542 11.261 1.673 6 1HG1 ILE 1 2HG1 ILE 1 2.156 14.145 1.228 7 2HG1 ILE 1 1HG1 ILE 1 3.811 13.591 0.994 8 1HG2 ILE 1 1HG2 ILE 1 1.111 11.679 3.566 9 2HG2 ILE 1 2HG2 ILE 1 0.459 12.502 2.149 10 3HG2 ILE 1 3HG2 ILE 1 1.321 13.421 3.384 11 1HD1 ILE 1 1HD1 ILE 1 2.842 13.426 -1.110 12 2HD1 ILE 1 2HD1 ILE 1 1.335 12.773 -0.471 13 3HD1 ILE 1 3HD1 ILE 1 2.790 11.776 -0.490 14 H ASP 2 H ASP 2 5.829 11.244 4.155 15 HA ASP 2 HA ASP 2 7.396 11.202 1.706 16 1HB ASP 2 2HB ASP 2 8.153 10.397 4.524 17 2HB ASP 2 1HB ASP 2 9.259 10.519 3.158 18 H THR 3 H THR 3 5.951 8.961 4.008 19 HA THR 3 HA THR 3 7.067 6.574 3.128 20 HB THR 3 HB THR 3 4.200 6.841 4.017 21 HG1 THR 3 HG1 THR 3 6.572 7.051 5.533 22 1HG2 THR 3 1HG2 THR 3 4.717 4.590 3.524 23 2HG2 THR 3 2HG2 THR 3 4.782 4.754 5.279 24 3HG2 THR 3 3HG2 THR 3 6.276 4.697 4.342 25 H CYS 4 H CYS 4 4.634 8.569 1.660 26 HA CYS 4 HA CYS 4 3.568 6.580 -0.085 27 1HB CYS 4 2HB CYS 4 3.489 9.599 -0.189 28 2HB CYS 4 1HB CYS 4 2.623 8.557 -1.313 29 H ARG 5 H ARG 5 6.552 8.110 -0.031 30 HA ARG 5 HA ARG 5 6.883 8.143 -2.923 31 1HB ARG 5 2HB ARG 5 8.628 9.010 -0.629 32 2HB ARG 5 1HB ARG 5 9.232 8.931 -2.278 33 1HG ARG 5 2HG ARG 5 8.176 10.807 -2.887 34 2HG ARG 5 1HG ARG 5 6.713 10.392 -1.992 35 1HD ARG 5 2HD ARG 5 8.395 10.885 0.050 36 2HD ARG 5 1HD ARG 5 9.065 11.971 -1.166 37 HE ARG 5 HE ARG 5 6.540 12.228 0.197 38 1HH1 ARG 5 1HH1 ARG 5 8.397 13.136 -2.617 39 2HH1 ARG 5 2HH1 ARG 5 7.472 14.569 -2.919 40 1HH2 ARG 5 1HH2 ARG 5 5.323 14.112 -0.202 41 2HH2 ARG 5 2HH2 ARG 5 5.728 15.123 -1.549 42 H LEU 6 H LEU 6 7.425 6.021 -0.297 43 HA LEU 6 HA LEU 6 9.320 4.437 -1.899 44 1HB LEU 6 2HB LEU 6 9.580 3.234 0.416 45 2HB LEU 6 1HB LEU 6 10.439 4.724 0.075 46 HG LEU 6 HG LEU 6 7.775 4.890 1.413 47 1HD1 LEU 6 1HD1 LEU 6 10.225 3.691 2.556 48 2HD1 LEU 6 2HD1 LEU 6 8.530 3.422 2.962 49 3HD1 LEU 6 3HD1 LEU 6 9.362 4.858 3.558 50 1HD2 LEU 6 1HD2 LEU 6 10.340 6.470 1.514 51 2HD2 LEU 6 2HD2 LEU 6 8.938 6.795 2.532 52 3HD2 LEU 6 3HD2 LEU 6 8.810 6.953 0.781 53 HA PRO 7 HA PRO 7 5.219 2.267 -2.438 54 1HB PRO 7 2HB PRO 7 7.074 1.005 -4.413 55 2HB PRO 7 1HB PRO 7 5.375 1.457 -4.597 56 1HG PRO 7 2HG PRO 7 7.311 2.964 -5.640 57 2HG PRO 7 1HG PRO 7 5.867 3.696 -4.919 58 1HD PRO 7 2HD PRO 7 8.642 3.564 -3.876 59 2HD PRO 7 1HD PRO 7 7.385 4.784 -3.603 60 H SER 8 H SER 8 4.620 0.229 -1.775 61 HA SER 8 HA SER 8 6.679 -1.305 -0.379 62 1HB SER 8 2HB SER 8 3.763 -0.941 -0.083 63 2HB SER 8 1HB SER 8 4.353 -2.571 0.236 64 HG SER 8 HG SER 8 5.134 -1.876 2.047 65 H ASP 9 H ASP 9 6.780 -3.618 -0.558 66 HA ASP 9 HA ASP 9 6.358 -4.499 -3.302 67 1HB ASP 9 2HB ASP 9 7.765 -5.938 -1.046 68 2HB ASP 9 1HB ASP 9 7.827 -6.349 -2.756 69 H ARG 10 H ARG 10 5.135 -6.251 -3.906 70 HA ARG 10 HA ARG 10 3.027 -6.995 -2.053 71 1HB ARG 10 2HB ARG 10 1.953 -7.980 -4.038 72 2HB ARG 10 1HB ARG 10 2.381 -6.293 -4.279 73 1HG ARG 10 2HG ARG 10 4.503 -7.187 -5.397 74 2HG ARG 10 1HG ARG 10 3.662 -8.737 -5.442 75 1HD ARG 10 2HD ARG 10 2.477 -6.196 -6.530 76 2HD ARG 10 1HD ARG 10 3.457 -7.290 -7.506 77 HE ARG 10 HE ARG 10 1.285 -8.595 -6.164 78 1HH1 ARG 10 1HH1 ARG 10 2.212 -6.787 -9.004 79 2HH1 ARG 10 2HH1 ARG 10 0.934 -7.424 -9.984 80 1HH2 ARG 10 1HH2 ARG 10 -0.402 -9.437 -7.459 81 2HH2 ARG 10 2HH2 ARG 10 -0.549 -8.928 -9.108 82 HN2 GLY 11 H GLY 11 6.023 -8.195 -2.625 83 1HA GLY 11 2HA GLY 11 6.923 -10.362 -2.751 84 2HA GLY 11 1HA GLY 11 6.128 -10.374 -1.190 85 H ARG 12 H ARG 12 5.877 -11.376 -4.546 86 HA ARG 12 HA ARG 12 3.396 -12.561 -4.591 87 1HB ARG 12 2HB ARG 12 4.633 -14.350 -6.083 88 2HB ARG 12 1HB ARG 12 4.418 -12.698 -6.640 89 1HG ARG 12 2HG ARG 12 6.608 -12.370 -6.774 90 2HG ARG 12 1HG ARG 12 6.872 -12.982 -5.143 91 1HD ARG 12 2HD ARG 12 6.245 -15.199 -6.785 92 2HD ARG 12 1HD ARG 12 7.439 -14.230 -7.647 93 HE ARG 12 HE ARG 12 8.222 -14.564 -4.955 94 1HH1 ARG 12 1HH1 ARG 12 7.966 -16.329 -7.954 95 2HH1 ARG 12 2HH1 ARG 12 9.247 -17.426 -7.564 96 1HH2 ARG 12 1HH2 ARG 12 9.909 -16.005 -4.439 97 2HH2 ARG 12 2HH2 ARG 12 10.351 -17.242 -5.568 98 H CYS 13 H CYS 13 6.375 -14.430 -3.956 99 HA CYS 13 HA CYS 13 6.667 -16.420 -2.864 100 1HB CYS 13 2HB CYS 13 4.932 -15.097 -0.773 101 2HB CYS 13 1HB CYS 13 6.207 -16.283 -0.511 102 H LYS 14 H LYS 14 4.976 -17.714 -0.947 103 HA LYS 14 HA LYS 14 3.138 -18.987 -2.792 104 1HB LYS 14 2HB LYS 14 4.540 -19.730 -0.355 105 2HB LYS 14 1HB LYS 14 2.854 -20.224 -0.316 106 1HG LYS 14 2HG LYS 14 4.048 -22.040 -1.212 107 2HG LYS 14 1HG LYS 14 3.234 -21.274 -2.577 108 1HD LYS 14 2HD LYS 14 5.529 -19.934 -2.689 109 2HD LYS 14 1HD LYS 14 6.124 -21.399 -1.907 110 1HE LYS 14 2HE LYS 14 6.343 -22.130 -4.027 111 2HE LYS 14 1HE LYS 14 4.622 -22.479 -3.868 112 1HZ LYS 14 1HZ LYS 14 5.604 -21.050 -5.849 113 2HZ LYS 14 2HZ LYS 14 5.350 -19.795 -4.744 114 3HZ LYS 14 3HZ LYS 14 4.057 -20.776 -5.221 115 H ALA 15 H ALA 15 2.780 -16.274 -1.185 116 HA ALA 15 HA ALA 15 0.087 -16.890 -0.176 117 1HB ALA 15 1HB ALA 15 2.170 -14.958 0.670 118 2HB ALA 15 2HB ALA 15 1.058 -15.924 1.640 119 3HB ALA 15 3HB ALA 15 0.485 -14.465 0.832 120 H SER 16 H SER 16 -1.492 -15.039 -0.417 121 HA SER 16 HA SER 16 -1.092 -13.207 -2.582 122 1HB SER 16 2HB SER 16 -2.872 -14.127 -4.041 123 2HB SER 16 1HB SER 16 -1.499 -15.223 -3.894 124 HG SER 16 HG SER 16 -2.704 -16.393 -2.341 125 H PHE 17 H PHE 17 -1.813 -11.571 -1.294 126 HA PHE 17 HA PHE 17 -4.669 -11.632 -0.610 127 1HB PHE 17 2HB PHE 17 -2.408 -10.783 1.205 128 2HB PHE 17 1HB PHE 17 -4.092 -10.359 1.500 129 HD1 PHE 17 HD2 PHE 17 -1.733 -13.186 1.199 130 HD2 PHE 17 HD1 PHE 17 -5.586 -11.900 2.469 131 HE1 PHE 17 HE2 PHE 17 -2.067 -15.335 2.351 132 HE2 PHE 17 HE1 PHE 17 -5.927 -14.046 3.622 133 HZ PHE 17 HZ PHE 17 -4.167 -15.768 3.564 134 H GLU 18 H GLU 18 -5.697 -9.964 -1.484 135 HA GLU 18 HA GLU 18 -4.303 -7.874 -2.812 136 1HB GLU 18 2HB GLU 18 -6.840 -8.941 -2.955 137 2HB GLU 18 1HB GLU 18 -7.131 -7.360 -2.244 138 1HG GLU 18 2HG GLU 18 -6.207 -6.242 -4.097 139 2HG GLU 18 1HG GLU 18 -5.490 -7.722 -4.729 140 H ARG 19 H ARG 19 -3.602 -5.985 -2.052 141 HA ARG 19 HA ARG 19 -4.861 -4.843 0.332 142 1HB ARG 19 2HB ARG 19 -1.863 -5.004 0.049 143 2HB ARG 19 1HB ARG 19 -2.785 -4.481 1.452 144 1HG ARG 19 2HG ARG 19 -2.977 -7.275 0.374 145 2HG ARG 19 1HG ARG 19 -1.743 -6.793 1.539 146 1HD ARG 19 2HD ARG 19 -4.552 -6.079 2.154 147 2HD ARG 19 1HD ARG 19 -4.105 -7.779 2.275 148 HE ARG 19 HE ARG 19 -2.296 -6.001 3.630 149 1HH1 ARG 19 1HH1 ARG 19 -5.245 -7.847 3.907 150 2HH1 ARG 19 2HH1 ARG 19 -5.161 -7.956 5.634 151 1HH2 ARG 19 1HH2 ARG 19 -2.183 -6.145 5.899 152 2HH2 ARG 19 2HH2 ARG 19 -3.423 -6.989 6.765 153 H TRP 20 H TRP 20 -3.808 -2.589 0.767 154 HA TRP 20 HA TRP 20 -3.650 -1.197 -1.823 155 1HB TRP 20 2HB TRP 20 -4.722 -0.260 0.843 156 2HB TRP 20 1HB TRP 20 -4.503 0.794 -0.550 157 HD1 TRP 20 HD1 TRP 20 -6.750 -1.988 0.776 158 HE1 TRP 20 HE1 TRP 20 -8.857 -2.124 -0.690 159 HE3 TRP 20 HE3 TRP 20 -5.356 1.232 -2.939 160 HZ2 TRP 20 HZ2 TRP 20 -9.802 -1.018 -3.100 161 HZ3 TRP 20 HZ3 TRP 20 -6.922 1.638 -4.792 162 HH2 TRP 20 HH2 TRP 20 -9.101 0.535 -4.872 163 H TYR 21 H TYR 21 -2.247 0.585 -2.038 164 HA TYR 21 HA TYR 21 -0.302 1.133 0.053 165 1HB TYR 21 2HB TYR 21 1.576 0.764 -1.696 166 2HB TYR 21 1HB TYR 21 0.899 -0.656 -0.902 167 HD1 TYR 21 HD2 TYR 21 -1.075 -1.800 -2.135 168 HD2 TYR 21 HD1 TYR 21 1.700 0.805 -4.024 169 HE1 TYR 21 HE2 TYR 21 -1.685 -2.738 -4.306 170 HE2 TYR 21 HE1 TYR 21 1.084 -0.124 -6.219 171 HH TYR 21 HH TYR 21 -0.649 -2.945 -6.608 172 H PHE 22 H PHE 22 1.175 2.939 -0.608 173 HA PHE 22 HA PHE 22 -0.361 4.981 -1.934 174 1HB PHE 22 2HB PHE 22 2.505 5.154 -0.990 175 2HB PHE 22 1HB PHE 22 1.405 6.490 -1.301 176 HD1 PHE 22 HD2 PHE 22 -0.855 6.335 0.116 177 HD2 PHE 22 HD1 PHE 22 2.864 4.568 1.186 178 HE1 PHE 22 HE2 PHE 22 -1.547 6.313 2.474 179 HE2 PHE 22 HE1 PHE 22 2.175 4.539 3.548 180 HZ PHE 22 HZ PHE 22 -0.035 5.413 4.194 181 H ASN 23 H ASN 23 0.019 5.959 -3.871 182 HA ASN 23 HA ASN 23 2.218 4.938 -5.525 183 1HB ASN 23 2HB ASN 23 -0.069 3.835 -5.998 184 2HB ASN 23 1HB ASN 23 -0.523 5.393 -6.684 185 1HD2 ASN 23 1HD2 ASN 23 -0.688 4.775 -8.775 186 2HD2 ASN 23 2HD2 ASN 23 0.645 4.222 -9.726 187 HN2 GLY 24 H GLY 24 2.878 7.132 -4.535 188 1HA GLY 24 2HA GLY 24 3.630 9.223 -5.219 189 2HA GLY 24 1HA GLY 24 2.589 9.105 -6.630 190 H ARG 25 H ARG 25 0.322 9.580 -6.371 191 HA ARG 25 HA ARG 25 -0.182 11.397 -4.105 192 1HB ARG 25 2HB ARG 25 -1.766 12.579 -5.622 193 2HB ARG 25 1HB ARG 25 -0.092 12.656 -6.152 194 1HG ARG 25 2HG ARG 25 -1.162 10.387 -7.387 195 2HG ARG 25 1HG ARG 25 -2.401 11.635 -7.521 196 1HD ARG 25 2HD ARG 25 -0.757 11.564 -9.413 197 2HD ARG 25 1HD ARG 25 -0.902 13.125 -8.607 198 HE ARG 25 HE ARG 25 1.211 11.473 -7.570 199 1HH1 ARG 25 1HH1 ARG 25 0.343 13.825 -9.999 200 2HH1 ARG 25 2HH1 ARG 25 1.971 14.369 -10.233 201 1HH2 ARG 25 1HH2 ARG 25 3.353 12.188 -7.878 202 2HH2 ARG 25 2HH2 ARG 25 3.679 13.439 -9.031 203 H THR 26 H THR 26 -1.407 8.770 -6.045 204 HA THR 26 HA THR 26 -3.775 8.618 -4.298 205 HB THR 26 HB THR 26 -4.372 8.991 -6.638 206 HG1 THR 26 HG1 THR 26 -5.811 7.327 -6.787 207 1HG2 THR 26 1HG2 THR 26 -3.392 8.028 -8.366 208 2HG2 THR 26 2HG2 THR 26 -3.682 6.419 -7.707 209 3HG2 THR 26 3HG2 THR 26 -2.235 7.314 -7.243 210 H CYS 27 H CYS 27 -4.641 6.253 -4.286 211 HA CYS 27 HA CYS 27 -2.479 4.609 -3.252 212 1HB CYS 27 2HB CYS 27 -5.007 5.065 -2.354 213 2HB CYS 27 1HB CYS 27 -5.230 3.545 -3.212 214 H ALA 28 H ALA 28 -2.852 2.149 -3.635 215 HA ALA 28 HA ALA 28 -3.640 1.545 -6.374 216 1HB ALA 28 1HB ALA 28 -1.386 0.283 -6.597 217 2HB ALA 28 2HB ALA 28 -0.837 1.417 -5.363 218 3HB ALA 28 3HB ALA 28 -1.451 2.016 -6.903 219 H LYS 29 H LYS 29 -3.125 -0.965 -6.754 220 HA LYS 29 HA LYS 29 -3.604 -2.482 -4.305 221 1HB LYS 29 2HB LYS 29 -5.765 -1.669 -5.680 222 2HB LYS 29 1HB LYS 29 -5.413 -3.154 -6.553 223 1HG LYS 29 2HG LYS 29 -5.462 -4.380 -4.405 224 2HG LYS 29 1HG LYS 29 -5.935 -2.883 -3.600 225 1HD LYS 29 2HD LYS 29 -7.764 -2.977 -5.589 226 2HD LYS 29 1HD LYS 29 -7.507 -4.700 -5.306 227 1HE LYS 29 2HE LYS 29 -7.801 -3.101 -2.867 228 2HE LYS 29 1HE LYS 29 -9.229 -3.118 -3.900 229 1HZ LYS 29 1HZ LYS 29 -7.834 -5.611 -3.137 230 2HZ LYS 29 2HZ LYS 29 -9.406 -5.426 -3.732 231 3HZ LYS 29 3HZ LYS 29 -9.034 -4.930 -2.158 232 H PHE 30 H PHE 30 -2.917 -4.568 -4.351 233 HA PHE 30 HA PHE 30 -2.315 -5.960 -6.779 234 1HB PHE 30 2HB PHE 30 0.132 -6.267 -6.211 235 2HB PHE 30 1HB PHE 30 -0.309 -4.687 -6.834 236 HD1 PHE 30 HD2 PHE 30 -1.285 -5.263 -3.411 237 HD2 PHE 30 HD1 PHE 30 1.928 -4.011 -5.907 238 HE1 PHE 30 HE2 PHE 30 -0.192 -4.227 -1.475 239 HE2 PHE 30 HE1 PHE 30 3.026 -2.971 -3.970 240 HZ PHE 30 HZ PHE 30 1.967 -3.079 -1.751 241 H ILE 31 H ILE 31 -0.984 -8.057 -6.158 242 HA ILE 31 HA ILE 31 -2.438 -9.235 -3.927 243 HB ILE 31 HB ILE 31 -0.573 -10.543 -5.911 244 1HG1 ILE 31 2HG1 ILE 31 -2.577 -9.541 -6.969 245 2HG1 ILE 31 1HG1 ILE 31 -2.573 -11.299 -7.070 246 1HG2 ILE 31 1HG2 ILE 31 -0.822 -12.451 -4.796 247 2HG2 ILE 31 2HG2 ILE 31 -2.571 -12.246 -4.702 248 3HG2 ILE 31 3HG2 ILE 31 -1.529 -11.506 -3.486 249 1HD1 ILE 31 1HD1 ILE 31 -4.349 -9.486 -5.541 250 2HD1 ILE 31 2HD1 ILE 31 -3.992 -11.073 -4.858 251 3HD1 ILE 31 3HD1 ILE 31 -4.729 -10.944 -6.455 252 H TYR 32 H TYR 32 -1.438 -8.483 -2.088 253 HA TYR 32 HA TYR 32 1.445 -8.704 -1.822 254 1HB TYR 32 2HB TYR 32 0.337 -6.710 -0.932 255 2HB TYR 32 1HB TYR 32 -0.646 -7.714 0.127 256 HD1 TYR 32 HD1 TYR 32 2.935 -8.333 -0.496 257 HD2 TYR 32 HD2 TYR 32 0.062 -6.699 2.181 258 HE1 TYR 32 HE1 TYR 32 4.660 -8.172 1.248 259 HE2 TYR 32 HE2 TYR 32 1.779 -6.533 3.931 260 HH TYR 32 HH TYR 32 4.174 -6.431 4.158 261 HN2 GLY 33 H GLY 33 1.949 -10.845 -1.714 262 1HA GLY 33 2HA GLY 33 0.537 -12.796 -0.252 263 2HA GLY 33 1HA GLY 33 2.212 -12.925 -0.769 264 HN2 GLY 34 H GLY 34 2.857 -10.410 0.740 265 1HA GLY 34 2HA GLY 34 2.697 -9.873 3.165 266 2HA GLY 34 1HA GLY 34 2.856 -11.600 3.444 267 H CYS 35 H CYS 35 4.801 -10.656 0.866 268 HA CYS 35 HA CYS 35 7.139 -10.547 2.649 269 1HB CYS 35 2HB CYS 35 7.450 -11.221 -0.241 270 2HB CYS 35 1HB CYS 35 8.367 -11.784 1.148 271 HN2 GLY 36 H GLY 36 7.972 -8.594 2.865 272 1HA GLY 36 2HA GLY 36 9.150 -6.721 2.044 273 2HA GLY 36 1HA GLY 36 8.369 -6.941 0.486 274 HN2 GLY 37 H GLY 37 8.012 -5.668 3.731 275 1HA GLY 37 2HA GLY 37 6.117 -3.706 2.734 276 2HA GLY 37 1HA GLY 37 5.486 -4.803 3.952 277 H ASN 38 H ASN 38 6.579 -1.805 3.607 278 HA ASN 38 HA ASN 38 7.875 -1.770 6.253 279 1HB ASN 38 2HB ASN 38 8.695 0.575 5.273 280 2HB ASN 38 1HB ASN 38 9.580 -0.919 4.988 281 1HD2 ASN 38 1HD2 ASN 38 10.476 -0.158 3.084 282 2HD2 ASN 38 2HD2 ASN 38 9.554 0.031 1.636 283 HN2 GLY 39 H GLY 39 6.721 1.023 4.422 284 1HA GLY 39 2HA GLY 39 4.561 1.349 6.404 285 2HA GLY 39 1HA GLY 39 5.649 2.677 6.029 286 H ASN 40 H ASN 40 5.256 1.036 3.208 287 HA ASN 40 HA ASN 40 3.337 2.994 2.240 288 1HB ASN 40 2HB ASN 40 5.558 2.419 1.100 289 2HB ASN 40 1HB ASN 40 4.778 0.928 0.587 290 1HD2 ASN 40 1HD2 ASN 40 5.364 4.123 -0.160 291 2HD2 ASN 40 2HD2 ASN 40 4.210 4.312 -1.431 292 H LYS 41 H LYS 41 3.497 -0.352 3.055 293 HA LYS 41 HA LYS 41 1.267 -1.185 1.454 294 1HB LYS 41 2HB LYS 41 1.408 -3.269 2.816 295 2HB LYS 41 1HB LYS 41 2.923 -2.825 2.041 296 1HG LYS 41 2HG LYS 41 3.966 -2.388 4.005 297 2HG LYS 41 1HG LYS 41 2.485 -1.850 4.799 298 1HD LYS 41 2HD LYS 41 2.768 -4.721 4.036 299 2HD LYS 41 1HD LYS 41 3.612 -4.123 5.466 300 1HE LYS 41 2HE LYS 41 0.741 -3.431 5.149 301 2HE LYS 41 1HE LYS 41 1.146 -5.090 5.588 302 1HZ LYS 41 1HZ LYS 41 2.509 -4.116 7.427 303 2HZ LYS 41 2HZ LYS 41 0.840 -3.894 7.586 304 3HZ LYS 41 3HZ LYS 41 1.818 -2.613 7.071 305 H PHE 42 H PHE 42 -0.796 -1.798 2.193 306 HA PHE 42 HA PHE 42 -1.652 -1.237 4.871 307 1HB PHE 42 2HB PHE 42 -2.183 0.701 2.667 308 2HB PHE 42 1HB PHE 42 -3.477 0.391 3.821 309 HD1 PHE 42 HD2 PHE 42 -3.075 0.825 6.248 310 HD2 PHE 42 HD1 PHE 42 -0.339 2.050 3.228 311 HE1 PHE 42 HE2 PHE 42 -2.043 2.402 7.829 312 HE2 PHE 42 HE1 PHE 42 0.700 3.629 4.804 313 HZ PHE 42 HZ PHE 42 -0.154 3.807 7.107 314 HA PRO 43 HA PRO 43 -4.592 -4.292 3.620 315 1HB PRO 43 2HB PRO 43 -6.442 -4.033 5.569 316 2HB PRO 43 1HB PRO 43 -4.837 -4.708 5.872 317 1HG PRO 43 2HG PRO 43 -5.857 -1.940 6.393 318 2HG PRO 43 1HG PRO 43 -4.858 -2.978 7.430 319 1HD PRO 43 2HD PRO 43 -3.830 -0.973 5.906 320 2HD PRO 43 1HD PRO 43 -2.922 -2.445 6.310 321 H THR 44 H THR 44 -5.976 -1.120 4.482 322 HA THR 44 HA THR 44 -7.921 -1.488 2.299 323 HB THR 44 HB THR 44 -9.308 0.182 3.792 324 HG1 THR 44 HG1 THR 44 -7.718 -1.174 5.707 325 1HG2 THR 44 1HG2 THR 44 -9.291 -2.543 4.950 326 2HG2 THR 44 2HG2 THR 44 -9.680 -2.368 3.239 327 3HG2 THR 44 3HG2 THR 44 -10.644 -1.526 4.452 328 H GLN 45 H GLN 45 -8.578 0.401 1.173 329 HA GLN 45 HA GLN 45 -6.474 2.213 0.635 330 1HB GLN 45 2HB GLN 45 -8.324 1.455 -0.945 331 2HB GLN 45 1HB GLN 45 -9.367 2.605 -0.122 332 1HG GLN 45 2HG GLN 45 -7.437 4.284 -0.688 333 2HG GLN 45 1HG GLN 45 -7.061 3.094 -1.933 334 1HE2 GLN 45 1HE2 GLN 45 -7.589 4.601 -3.543 335 2HE2 GLN 45 2HE2 GLN 45 -9.231 4.987 -3.917 336 H GLU 46 H GLU 46 -9.207 2.302 2.781 337 HA GLU 46 HA GLU 46 -9.418 5.066 3.183 338 1HB GLU 46 2HB GLU 46 -10.986 3.224 3.994 339 2HB GLU 46 1HB GLU 46 -9.859 2.989 5.324 340 1HG GLU 46 2HG GLU 46 -10.923 5.717 4.788 341 2HG GLU 46 1HG GLU 46 -11.948 4.529 5.593 342 H ALA 47 H ALA 47 -7.218 2.680 4.502 343 HA ALA 47 HA ALA 47 -6.151 4.329 6.560 344 1HB ALA 47 1HB ALA 47 -6.033 1.745 6.243 345 2HB ALA 47 2HB ALA 47 -4.695 2.600 7.010 346 3HB ALA 47 3HB ALA 47 -4.577 2.116 5.319 347 H CYS 48 H CYS 48 -5.121 3.567 3.248 348 HA CYS 48 HA CYS 48 -2.754 5.149 3.397 349 1HB CYS 48 2HB CYS 48 -2.475 4.692 1.067 350 2HB CYS 48 1HB CYS 48 -3.114 3.231 1.806 351 H MET 49 H MET 49 -6.014 5.688 2.142 352 HA MET 49 HA MET 49 -5.488 8.239 1.029 353 1HB MET 49 2HB MET 49 -7.822 6.543 1.501 354 2HB MET 49 1HB MET 49 -8.176 8.259 1.652 355 1HG MET 49 2HG MET 49 -6.574 7.541 -0.693 356 2HG MET 49 1HG MET 49 -8.201 6.864 -0.670 357 1HE MET 49 1HE MET 49 -6.660 8.811 -2.564 358 2HE MET 49 2HE MET 49 -6.216 10.227 -1.611 359 3HE MET 49 3HE MET 49 -7.503 10.340 -2.811 360 H LYS 50 H LYS 50 -5.862 7.186 4.254 361 HA LYS 50 HA LYS 50 -6.724 9.783 5.235 362 1HB LYS 50 2HB LYS 50 -7.581 7.663 6.229 363 2HB LYS 50 1HB LYS 50 -5.954 7.315 6.799 364 1HG LYS 50 2HG LYS 50 -6.916 8.231 8.668 365 2HG LYS 50 1HG LYS 50 -6.148 9.643 7.942 366 1HD LYS 50 2HD LYS 50 -8.649 9.553 6.750 367 2HD LYS 50 1HD LYS 50 -8.959 9.095 8.426 368 1HE LYS 50 2HE LYS 50 -7.517 11.571 7.483 369 2HE LYS 50 1HE LYS 50 -9.151 11.503 8.142 370 1HZ LYS 50 1HZ LYS 50 -8.375 11.094 10.256 371 2HZ LYS 50 2HZ LYS 50 -7.192 12.150 9.668 372 3HZ LYS 50 3HZ LYS 50 -6.886 10.489 9.727 373 H ARG 51 H ARG 51 -3.789 8.088 4.667 374 HA ARG 51 HA ARG 51 -2.326 9.967 6.391 375 1HB ARG 51 2HB ARG 51 -1.968 7.139 5.742 376 2HB ARG 51 1HB ARG 51 -0.488 8.075 5.577 377 1HG ARG 51 2HG ARG 51 -2.217 7.861 8.033 378 2HG ARG 51 1HG ARG 51 -0.622 7.145 7.791 379 1HD ARG 51 2HD ARG 51 -1.350 10.042 8.098 380 2HD ARG 51 1HD ARG 51 -0.249 9.080 9.078 381 HE ARG 51 HE ARG 51 0.312 10.310 6.507 382 1HH1 ARG 51 1HH1 ARG 51 1.361 8.080 8.985 383 2HH1 ARG 51 2HH1 ARG 51 3.021 8.136 8.504 384 1HH2 ARG 51 1HH2 ARG 51 2.497 10.377 5.875 385 2HH2 ARG 51 2HH2 ARG 51 3.668 9.437 6.739 386 H CYS 52 H CYS 52 -2.852 9.008 3.110 387 HA CYS 52 HA CYS 52 -0.534 10.568 2.214 388 1HB CYS 52 2HB CYS 52 -1.277 8.152 1.360 389 2HB CYS 52 1HB CYS 52 -2.260 9.121 0.269 390 H ALA 53 H ALA 53 -3.982 10.667 2.396 391 HA ALA 53 HA ALA 53 -4.121 12.863 0.467 392 1HB ALA 53 1HB ALA 53 -6.319 12.389 0.181 393 2HB ALA 53 2HB ALA 53 -6.559 11.943 1.870 394 3HB ALA 53 3HB ALA 53 -5.794 10.807 0.758 395 H LYS 54 H LYS 54 -5.234 12.174 3.790 396 HA LYS 54 HA LYS 54 -5.648 14.981 4.310 397 1HB LYS 54 2HB LYS 54 -7.008 13.018 5.267 398 2HB LYS 54 1HB LYS 54 -5.666 12.799 6.383 399 1HG LYS 54 2HG LYS 54 -6.254 14.560 7.630 400 2HG LYS 54 1HG LYS 54 -6.647 15.550 6.223 401 1HD LYS 54 2HD LYS 54 -8.414 13.316 7.195 402 2HD LYS 54 1HD LYS 54 -8.575 14.978 7.761 403 1HE LYS 54 2HE LYS 54 -8.651 14.211 4.852 404 2HE LYS 54 1HE LYS 54 -10.093 14.306 5.861 405 1HZ LYS 54 1HZ LYS 54 -8.985 16.671 6.357 406 2HZ LYS 54 2HZ LYS 54 -10.109 16.413 5.120 407 3HZ LYS 54 3HZ LYS 54 -8.454 16.436 4.769 408 H ALA 55 H ALA 55 -3.463 12.463 5.566 409 HA ALA 55 HA ALA 55 -1.831 14.524 6.841 410 1HB ALA 55 1HB ALA 55 -1.024 12.913 8.228 411 2HB ALA 55 2HB ALA 55 -1.066 11.663 6.985 412 3HB ALA 55 3HB ALA 55 -2.554 12.149 7.796 Start of MODEL 4 1 1H ILE 1 1H ILE 1 7.252 12.467 5.770 2 2H ILE 1 2H ILE 1 8.860 12.020 5.377 3 3H ILE 1 3H ILE 1 7.580 10.899 5.163 4 HA ILE 1 HA ILE 1 6.589 12.523 3.595 5 HB ILE 1 HB ILE 1 8.035 14.138 2.570 6 1HG1 ILE 1 2HG1 ILE 1 10.304 14.527 3.920 7 2HG1 ILE 1 1HG1 ILE 1 10.134 12.799 4.211 8 1HG2 ILE 1 1HG2 ILE 1 6.942 14.437 5.006 9 2HG2 ILE 1 2HG2 ILE 1 7.776 15.731 4.145 10 3HG2 ILE 1 3HG2 ILE 1 8.626 14.803 5.379 11 1HD1 ILE 1 1HD1 ILE 1 10.935 14.216 1.813 12 2HD1 ILE 1 2HD1 ILE 1 9.676 13.017 1.515 13 3HD1 ILE 1 3HD1 ILE 1 11.191 12.535 2.279 14 H ASP 2 H ASP 2 9.665 10.871 3.958 15 HA ASP 2 HA ASP 2 9.885 10.148 1.197 16 1HB ASP 2 2HB ASP 2 11.522 9.986 3.525 17 2HB ASP 2 1HB ASP 2 11.402 8.372 2.833 18 H THR 3 H THR 3 7.901 9.059 3.669 19 HA THR 3 HA THR 3 7.838 6.280 2.891 20 HB THR 3 HB THR 3 5.873 7.743 4.651 21 HG1 THR 3 HG1 THR 3 8.376 6.589 5.297 22 1HG2 THR 3 1HG2 THR 3 6.205 5.300 5.740 23 2HG2 THR 3 2HG2 THR 3 6.364 4.926 4.024 24 3HG2 THR 3 3HG2 THR 3 4.911 5.727 4.621 25 H CYS 4 H CYS 4 5.858 9.159 2.421 26 HA CYS 4 HA CYS 4 3.754 7.777 1.067 27 1HB CYS 4 2HB CYS 4 3.885 10.171 2.281 28 2HB CYS 4 1HB CYS 4 4.115 10.683 0.613 29 H ARG 5 H ARG 5 6.860 8.488 0.099 30 HA ARG 5 HA ARG 5 6.048 8.719 -2.721 31 1HB ARG 5 2HB ARG 5 8.315 9.628 -3.132 32 2HB ARG 5 1HB ARG 5 7.362 10.618 -2.037 33 1HG ARG 5 2HG ARG 5 8.555 9.517 -0.137 34 2HG ARG 5 1HG ARG 5 9.606 8.747 -1.327 35 1HD ARG 5 2HD ARG 5 10.717 10.705 -0.533 36 2HD ARG 5 1HD ARG 5 10.175 11.023 -2.181 37 HE ARG 5 HE ARG 5 8.326 11.894 -0.158 38 1HH1 ARG 5 1HH1 ARG 5 11.134 12.766 -2.039 39 2HH1 ARG 5 2HH1 ARG 5 10.863 14.469 -1.883 40 1HH2 ARG 5 1HH2 ARG 5 7.968 14.134 0.046 41 2HH2 ARG 5 2HH2 ARG 5 9.067 15.246 -0.699 42 H LEU 6 H LEU 6 7.310 6.562 -0.465 43 HA LEU 6 HA LEU 6 8.851 5.090 -2.467 44 1HB LEU 6 2HB LEU 6 9.796 3.844 -0.709 45 2HB LEU 6 1HB LEU 6 9.744 5.500 -0.140 46 HG LEU 6 HG LEU 6 7.498 4.759 0.981 47 1HD1 LEU 6 1HD1 LEU 6 8.264 2.216 1.697 48 2HD1 LEU 6 2HD1 LEU 6 8.577 2.256 -0.038 49 3HD1 LEU 6 3HD1 LEU 6 6.967 2.631 0.577 50 1HD2 LEU 6 1HD2 LEU 6 8.706 4.195 2.990 51 2HD2 LEU 6 2HD2 LEU 6 9.572 5.467 2.129 52 3HD2 LEU 6 3HD2 LEU 6 10.148 3.801 2.054 53 HA PRO 7 HA PRO 7 5.402 2.355 -3.086 54 1HB PRO 7 2HB PRO 7 6.583 0.542 -4.667 55 2HB PRO 7 1HB PRO 7 6.267 2.189 -5.226 56 1HG PRO 7 2HG PRO 7 8.817 0.983 -4.226 57 2HG PRO 7 1HG PRO 7 8.558 2.071 -5.602 58 1HD PRO 7 2HD PRO 7 9.453 2.891 -3.138 59 2HD PRO 7 1HD PRO 7 8.592 3.939 -4.281 60 H SER 8 H SER 8 4.692 0.214 -2.588 61 HA SER 8 HA SER 8 6.304 -1.063 -0.492 62 1HB SER 8 2HB SER 8 3.501 -0.458 -0.748 63 2HB SER 8 1HB SER 8 3.713 -2.197 -0.542 64 HG SER 8 HG SER 8 5.064 -0.358 1.118 65 H ASP 9 H ASP 9 6.559 -3.336 -0.445 66 HA ASP 9 HA ASP 9 6.626 -4.523 -3.100 67 1HB ASP 9 2HB ASP 9 8.164 -4.792 -0.681 68 2HB ASP 9 1HB ASP 9 7.588 -6.374 -1.198 69 H ARG 10 H ARG 10 5.711 -6.555 -3.602 70 HA ARG 10 HA ARG 10 3.227 -7.050 -2.187 71 1HB ARG 10 2HB ARG 10 4.344 -8.025 -4.807 72 2HB ARG 10 1HB ARG 10 2.836 -8.630 -4.137 73 1HG ARG 10 2HG ARG 10 1.788 -6.537 -4.329 74 2HG ARG 10 1HG ARG 10 3.321 -5.706 -4.603 75 1HD ARG 10 2HD ARG 10 2.076 -5.924 -6.680 76 2HD ARG 10 1HD ARG 10 3.564 -6.869 -6.742 77 HE ARG 10 HE ARG 10 1.791 -8.697 -5.931 78 1HH1 ARG 10 1HH1 ARG 10 1.679 -6.375 -8.535 79 2HH1 ARG 10 2HH1 ARG 10 0.673 -7.363 -9.541 80 1HH2 ARG 10 1HH2 ARG 10 0.473 -10.002 -7.259 81 2HH2 ARG 10 2HH2 ARG 10 -0.010 -9.421 -8.817 82 HN2 GLY 11 H GLY 11 6.371 -8.385 -2.312 83 1HA GLY 11 2HA GLY 11 7.189 -10.502 -1.748 84 2HA GLY 11 1HA GLY 11 6.356 -10.053 -0.274 85 H ARG 12 H ARG 12 5.631 -11.520 -3.452 86 HA ARG 12 HA ARG 12 3.269 -12.772 -2.817 87 1HB ARG 12 2HB ARG 12 3.927 -14.507 -4.522 88 2HB ARG 12 1HB ARG 12 4.034 -12.842 -5.072 89 1HG ARG 12 2HG ARG 12 6.492 -12.941 -4.523 90 2HG ARG 12 1HG ARG 12 6.281 -14.679 -4.298 91 1HD ARG 12 2HD ARG 12 7.080 -13.897 -6.585 92 2HD ARG 12 1HD ARG 12 5.717 -15.014 -6.550 93 HE ARG 12 HE ARG 12 4.441 -13.398 -7.524 94 1HH1 ARG 12 1HH1 ARG 12 7.206 -11.866 -6.048 95 2HH1 ARG 12 2HH1 ARG 12 6.828 -10.296 -6.674 96 1HH2 ARG 12 1HH2 ARG 12 3.941 -11.334 -8.348 97 2HH2 ARG 12 2HH2 ARG 12 4.974 -9.994 -7.979 98 H CYS 13 H CYS 13 6.541 -14.115 -2.434 99 HA CYS 13 HA CYS 13 7.276 -15.992 -1.350 100 1HB CYS 13 2HB CYS 13 5.558 -14.715 0.786 101 2HB CYS 13 1HB CYS 13 6.851 -15.873 1.076 102 H LYS 14 H LYS 14 4.746 -16.448 0.884 103 HA LYS 14 HA LYS 14 3.807 -18.769 -0.658 104 1HB LYS 14 2HB LYS 14 3.816 -18.353 2.336 105 2HB LYS 14 1HB LYS 14 3.258 -19.796 1.503 106 1HG LYS 14 2HG LYS 14 6.063 -18.791 1.188 107 2HG LYS 14 1HG LYS 14 5.592 -19.834 2.531 108 1HD LYS 14 2HD LYS 14 5.832 -21.606 1.213 109 2HD LYS 14 1HD LYS 14 4.544 -20.991 0.176 110 1HE LYS 14 2HE LYS 14 6.283 -19.596 -0.982 111 2HE LYS 14 1HE LYS 14 7.502 -20.476 -0.061 112 1HZ LYS 14 1HZ LYS 14 7.415 -21.692 -1.980 113 2HZ LYS 14 2HZ LYS 14 5.762 -21.430 -2.224 114 3HZ LYS 14 3HZ LYS 14 6.279 -22.532 -1.050 115 H ALA 15 H ALA 15 2.836 -15.872 0.982 116 HA ALA 15 HA ALA 15 0.011 -16.603 0.861 117 1HB ALA 15 1HB ALA 15 -0.054 -14.115 1.837 118 2HB ALA 15 2HB ALA 15 1.593 -14.556 2.288 119 3HB ALA 15 3HB ALA 15 0.235 -15.535 2.843 120 H SER 16 H SER 16 -1.422 -14.582 0.244 121 HA SER 16 HA SER 16 -0.492 -12.869 -1.812 122 1HB SER 16 2HB SER 16 -2.198 -14.105 -3.493 123 2HB SER 16 1HB SER 16 -0.471 -14.460 -3.448 124 HG SER 16 HG SER 16 -2.350 -15.853 -1.857 125 H PHE 17 H PHE 17 -1.608 -11.439 -0.390 126 HA PHE 17 HA PHE 17 -4.543 -11.572 -0.635 127 1HB PHE 17 2HB PHE 17 -2.787 -10.623 1.613 128 2HB PHE 17 1HB PHE 17 -4.438 -10.034 1.451 129 HD1 PHE 17 HD2 PHE 17 -2.365 -13.026 2.006 130 HD2 PHE 17 HD1 PHE 17 -6.294 -11.392 2.026 131 HE1 PHE 17 HE2 PHE 17 -3.188 -15.030 3.172 132 HE2 PHE 17 HE1 PHE 17 -7.124 -13.392 3.194 133 HZ PHE 17 HZ PHE 17 -5.570 -15.213 3.768 134 H GLU 18 H GLU 18 -5.636 -9.785 -1.329 135 HA GLU 18 HA GLU 18 -4.116 -7.815 -2.756 136 1HB GLU 18 2HB GLU 18 -6.593 -8.903 -3.097 137 2HB GLU 18 1HB GLU 18 -7.000 -7.337 -2.409 138 1HG GLU 18 2HG GLU 18 -5.580 -6.286 -4.173 139 2HG GLU 18 1HG GLU 18 -5.422 -7.880 -4.909 140 H ARG 19 H ARG 19 -3.290 -6.045 -1.880 141 HA ARG 19 HA ARG 19 -4.771 -4.721 0.289 142 1HB ARG 19 2HB ARG 19 -1.772 -5.042 0.091 143 2HB ARG 19 1HB ARG 19 -2.614 -4.110 1.320 144 1HG ARG 19 2HG ARG 19 -2.791 -7.085 0.899 145 2HG ARG 19 1HG ARG 19 -1.948 -6.253 2.206 146 1HD ARG 19 2HD ARG 19 -3.814 -6.236 3.406 147 2HD ARG 19 1HD ARG 19 -4.625 -5.308 2.146 148 HE ARG 19 HE ARG 19 -4.664 -7.928 1.295 149 1HH1 ARG 19 1HH1 ARG 19 -5.854 -6.148 4.052 150 2HH1 ARG 19 2HH1 ARG 19 -7.206 -7.200 4.306 151 1HH2 ARG 19 1HH2 ARG 19 -6.443 -9.312 1.628 152 2HH2 ARG 19 2HH2 ARG 19 -7.540 -8.997 2.931 153 H TRP 20 H TRP 20 -3.785 -2.407 0.620 154 HA TRP 20 HA TRP 20 -3.582 -1.188 -2.055 155 1HB TRP 20 2HB TRP 20 -4.742 -0.078 0.506 156 2HB TRP 20 1HB TRP 20 -4.532 0.857 -0.971 157 HD1 TRP 20 HD1 TRP 20 -6.719 -1.855 0.571 158 HE1 TRP 20 HE1 TRP 20 -8.789 -2.198 -0.912 159 HE3 TRP 20 HE3 TRP 20 -5.345 1.037 -3.413 160 HZ2 TRP 20 HZ2 TRP 20 -9.716 -1.359 -3.437 161 HZ3 TRP 20 HZ3 TRP 20 -6.884 1.214 -5.325 162 HH2 TRP 20 HH2 TRP 20 -9.025 0.040 -5.336 163 H TYR 21 H TYR 21 -2.181 0.550 -2.388 164 HA TYR 21 HA TYR 21 -0.277 1.225 -0.269 165 1HB TYR 21 2HB TYR 21 1.557 0.976 -2.126 166 2HB TYR 21 1HB TYR 21 1.029 -0.448 -1.233 167 HD1 TYR 21 HD1 TYR 21 -0.977 -1.743 -2.309 168 HD2 TYR 21 HD2 TYR 21 1.604 0.869 -4.448 169 HE1 TYR 21 HE1 TYR 21 -1.636 -2.820 -4.400 170 HE2 TYR 21 HE2 TYR 21 0.945 -0.204 -6.562 171 HH TYR 21 HH TYR 21 -0.137 -2.805 -7.070 172 H PHE 22 H PHE 22 0.663 3.260 -0.511 173 HA PHE 22 HA PHE 22 -0.803 5.098 -2.141 174 1HB PHE 22 2HB PHE 22 0.576 5.331 0.197 175 2HB PHE 22 1HB PHE 22 1.720 6.041 -0.936 176 HD1 PHE 22 HD2 PHE 22 1.040 8.000 -2.301 177 HD2 PHE 22 HD1 PHE 22 -1.390 6.469 0.838 178 HE1 PHE 22 HE2 PHE 22 -0.221 10.112 -2.253 179 HE2 PHE 22 HE1 PHE 22 -2.657 8.577 0.891 180 HZ PHE 22 HZ PHE 22 -2.073 10.402 -0.655 181 H ASN 23 H ASN 23 -0.380 5.744 -4.147 182 HA ASN 23 HA ASN 23 2.355 5.416 -5.184 183 1HB ASN 23 2HB ASN 23 1.378 4.786 -7.382 184 2HB ASN 23 1HB ASN 23 1.034 3.614 -6.113 185 1HD2 ASN 23 1HD2 ASN 23 -0.262 5.750 -8.421 186 2HD2 ASN 23 2HD2 ASN 23 -1.934 5.488 -8.070 187 HN2 GLY 24 H GLY 24 2.669 7.650 -4.734 188 1HA GLY 24 2HA GLY 24 2.960 9.770 -5.624 189 2HA GLY 24 1HA GLY 24 1.863 9.342 -6.927 190 H ARG 25 H ARG 25 -0.413 9.477 -6.545 191 HA ARG 25 HA ARG 25 -1.125 11.231 -4.288 192 1HB ARG 25 2HB ARG 25 -2.707 12.397 -5.752 193 2HB ARG 25 1HB ARG 25 -1.059 12.530 -6.351 194 1HG ARG 25 2HG ARG 25 -2.592 10.269 -7.427 195 2HG ARG 25 1HG ARG 25 -3.191 11.869 -7.870 196 1HD ARG 25 2HD ARG 25 -0.972 12.474 -8.694 197 2HD ARG 25 1HD ARG 25 -0.362 10.885 -8.234 198 HE ARG 25 HE ARG 25 -2.414 10.297 -9.892 199 1HH1 ARG 25 1HH1 ARG 25 0.361 12.393 -10.189 200 2HH1 ARG 25 2HH1 ARG 25 0.480 12.199 -11.905 201 1HH2 ARG 25 1HH2 ARG 25 -2.259 10.042 -12.149 202 2HH2 ARG 25 2HH2 ARG 25 -1.007 10.865 -13.018 203 H THR 26 H THR 26 -1.996 8.539 -6.317 204 HA THR 26 HA THR 26 -4.469 8.176 -4.759 205 HB THR 26 HB THR 26 -4.574 6.388 -6.883 206 HG1 THR 26 HG1 THR 26 -3.760 7.321 -8.603 207 1HG2 THR 26 1HG2 THR 26 -6.249 8.188 -5.894 208 2HG2 THR 26 2HG2 THR 26 -6.460 7.469 -7.490 209 3HG2 THR 26 3HG2 THR 26 -5.732 9.068 -7.332 210 H CYS 27 H CYS 27 -5.083 5.740 -4.673 211 HA CYS 27 HA CYS 27 -2.730 4.309 -3.646 212 1HB CYS 27 2HB CYS 27 -5.607 3.681 -2.995 213 2HB CYS 27 1HB CYS 27 -4.162 3.171 -2.128 214 H ALA 28 H ALA 28 -2.099 2.470 -4.552 215 HA ALA 28 HA ALA 28 -3.675 1.400 -6.768 216 1HB ALA 28 1HB ALA 28 -1.415 0.071 -7.054 217 2HB ALA 28 2HB ALA 28 -0.790 1.406 -6.084 218 3HB ALA 28 3HB ALA 28 -1.595 1.731 -7.618 219 H LYS 29 H LYS 29 -3.204 -1.124 -7.046 220 HA LYS 29 HA LYS 29 -3.501 -2.484 -4.475 221 1HB LYS 29 2HB LYS 29 -5.477 -3.724 -5.311 222 2HB LYS 29 1HB LYS 29 -5.775 -2.004 -5.110 223 1HG LYS 29 2HG LYS 29 -6.080 -1.656 -7.318 224 2HG LYS 29 1HG LYS 29 -4.889 -2.869 -7.788 225 1HD LYS 29 2HD LYS 29 -6.643 -4.142 -8.343 226 2HD LYS 29 1HD LYS 29 -6.864 -4.375 -6.608 227 1HE LYS 29 2HE LYS 29 -8.305 -2.316 -6.623 228 2HE LYS 29 1HE LYS 29 -8.219 -2.355 -8.384 229 1HZ LYS 29 1HZ LYS 29 -9.366 -4.382 -8.454 230 2HZ LYS 29 2HZ LYS 29 -10.213 -3.449 -7.325 231 3HZ LYS 29 3HZ LYS 29 -9.165 -4.668 -6.798 232 H PHE 30 H PHE 30 -2.819 -4.576 -4.431 233 HA PHE 30 HA PHE 30 -2.306 -6.116 -6.776 234 1HB PHE 30 2HB PHE 30 0.173 -6.319 -6.369 235 2HB PHE 30 1HB PHE 30 -0.354 -4.788 -7.049 236 HD1 PHE 30 HD1 PHE 30 -0.918 -5.371 -3.490 237 HD2 PHE 30 HD2 PHE 30 1.786 -3.815 -6.384 238 HE1 PHE 30 HE1 PHE 30 0.290 -4.190 -1.718 239 HE2 PHE 30 HE2 PHE 30 2.998 -2.623 -4.609 240 HZ PHE 30 HZ PHE 30 2.251 -2.810 -2.270 241 H ILE 31 H ILE 31 -0.865 -8.141 -6.055 242 HA ILE 31 HA ILE 31 -2.234 -9.163 -3.698 243 HB ILE 31 HB ILE 31 -0.389 -10.590 -5.613 244 1HG1 ILE 31 2HG1 ILE 31 -2.400 -9.715 -6.729 245 2HG1 ILE 31 1HG1 ILE 31 -2.422 -11.473 -6.646 246 1HG2 ILE 31 1HG2 ILE 31 -2.377 -12.162 -4.172 247 2HG2 ILE 31 2HG2 ILE 31 -1.196 -11.392 -3.113 248 3HG2 ILE 31 3HG2 ILE 31 -0.656 -12.457 -4.411 249 1HD1 ILE 31 1HD1 ILE 31 -4.347 -9.604 -5.694 250 2HD1 ILE 31 2HD1 ILE 31 -3.724 -10.540 -4.335 251 3HD1 ILE 31 3HD1 ILE 31 -4.426 -11.365 -5.727 252 H TYR 32 H TYR 32 -1.226 -8.256 -1.949 253 HA TYR 32 HA TYR 32 1.664 -8.425 -1.684 254 1HB TYR 32 2HB TYR 32 0.643 -6.357 -0.979 255 2HB TYR 32 1HB TYR 32 -0.474 -7.214 0.076 256 HD1 TYR 32 HD1 TYR 32 3.212 -7.612 -0.333 257 HD2 TYR 32 HD2 TYR 32 0.012 -6.485 2.229 258 HE1 TYR 32 HE1 TYR 32 4.800 -7.366 1.528 259 HE2 TYR 32 HE2 TYR 32 1.589 -6.235 4.098 260 HH TYR 32 HH TYR 32 4.760 -7.407 3.999 261 HN2 GLY 33 H GLY 33 2.181 -10.557 -1.360 262 1HA GLY 33 2HA GLY 33 0.792 -12.386 0.241 263 2HA GLY 33 1HA GLY 33 2.496 -12.500 -0.179 264 HN2 GLY 34 H GLY 34 3.148 -9.930 1.084 265 1HA GLY 34 2HA GLY 34 2.755 -9.148 3.455 266 2HA GLY 34 1HA GLY 34 2.992 -10.830 3.891 267 H CYS 35 H CYS 35 5.072 -10.121 1.362 268 HA CYS 35 HA CYS 35 7.240 -9.596 3.285 269 1HB CYS 35 2HB CYS 35 7.762 -10.747 0.566 270 2HB CYS 35 1HB CYS 35 8.699 -10.910 2.043 271 HN2 GLY 36 H GLY 36 8.182 -7.691 3.202 272 1HA GLY 36 2HA GLY 36 9.350 -5.948 2.108 273 2HA GLY 36 1HA GLY 36 8.499 -6.343 0.623 274 HN2 GLY 37 H GLY 37 8.452 -4.511 3.556 275 1HA GLY 37 2HA GLY 37 6.606 -2.631 2.488 276 2HA GLY 37 1HA GLY 37 5.820 -3.650 3.685 277 H ASN 38 H ASN 38 5.866 -1.034 4.212 278 HA ASN 38 HA ASN 38 7.375 -0.919 6.641 279 1HB ASN 38 2HB ASN 38 8.347 1.423 5.803 280 2HB ASN 38 1HB ASN 38 9.232 -0.085 5.599 281 1HD2 ASN 38 1HD2 ASN 38 10.356 0.555 3.810 282 2HD2 ASN 38 2HD2 ASN 38 9.617 0.833 2.272 283 HN2 GLY 39 H GLY 39 6.431 1.862 4.655 284 1HA GLY 39 2HA GLY 39 4.186 2.308 6.522 285 2HA GLY 39 1HA GLY 39 5.257 3.608 6.027 286 H ASN 40 H ASN 40 5.028 1.832 3.325 287 HA ASN 40 HA ASN 40 2.976 3.573 2.223 288 1HB ASN 40 2HB ASN 40 5.143 3.283 1.048 289 2HB ASN 40 1HB ASN 40 4.769 1.577 0.824 290 1HD2 ASN 40 1HD2 ASN 40 3.596 4.828 0.124 291 2HD2 ASN 40 2HD2 ASN 40 2.832 4.423 -1.370 292 H LYS 41 H LYS 41 3.425 0.278 3.160 293 HA LYS 41 HA LYS 41 1.347 -0.878 1.609 294 1HB LYS 41 2HB LYS 41 3.274 -2.076 2.760 295 2HB LYS 41 1HB LYS 41 2.370 -1.897 4.258 296 1HG LYS 41 2HG LYS 41 1.925 -4.066 3.445 297 2HG LYS 41 1HG LYS 41 0.476 -3.106 3.139 298 1HD LYS 41 2HD LYS 41 2.169 -2.843 0.881 299 2HD LYS 41 1HD LYS 41 2.088 -4.558 1.286 300 1HE LYS 41 2HE LYS 41 0.155 -4.595 0.180 301 2HE LYS 41 1HE LYS 41 -0.527 -3.703 1.538 302 1HZ LYS 41 1HZ LYS 41 -0.982 -2.633 -0.592 303 2HZ LYS 41 2HZ LYS 41 0.677 -2.469 -0.880 304 3HZ LYS 41 3HZ LYS 41 -0.042 -1.641 0.405 305 H PHE 42 H PHE 42 -0.766 -1.350 2.136 306 HA PHE 42 HA PHE 42 -1.849 -0.581 4.708 307 1HB PHE 42 2HB PHE 42 -2.853 0.737 2.175 308 2HB PHE 42 1HB PHE 42 -3.517 0.953 3.792 309 HD1 PHE 42 HD1 PHE 42 -1.765 1.775 5.587 310 HD2 PHE 42 HD2 PHE 42 -1.378 2.302 1.382 311 HE1 PHE 42 HE1 PHE 42 -0.226 3.657 5.968 312 HE2 PHE 42 HE2 PHE 42 0.162 4.185 1.756 313 HZ PHE 42 HZ PHE 42 0.740 4.864 4.051 314 HA PRO 43 HA PRO 43 -4.322 -4.123 3.715 315 1HB PRO 43 2HB PRO 43 -6.290 -3.799 5.576 316 2HB PRO 43 1HB PRO 43 -4.677 -4.411 5.958 317 1HG PRO 43 2HG PRO 43 -5.791 -1.657 6.301 318 2HG PRO 43 1HG PRO 43 -4.753 -2.590 7.393 319 1HD PRO 43 2HD PRO 43 -3.792 -0.634 5.789 320 2HD PRO 43 1HD PRO 43 -2.837 -2.066 6.226 321 H THR 44 H THR 44 -6.293 -1.232 4.469 322 HA THR 44 HA THR 44 -7.952 -1.887 2.123 323 HB THR 44 HB THR 44 -9.610 -0.327 3.533 324 HG1 THR 44 HG1 THR 44 -9.378 -0.770 5.728 325 1HG2 THR 44 1HG2 THR 44 -10.419 -2.467 4.703 326 2HG2 THR 44 2HG2 THR 44 -9.159 -3.270 3.766 327 3HG2 THR 44 3HG2 THR 44 -10.450 -2.397 2.941 328 H GLN 45 H GLN 45 -9.073 0.042 1.175 329 HA GLN 45 HA GLN 45 -7.131 2.022 0.514 330 1HB GLN 45 2HB GLN 45 -9.356 1.017 -0.726 331 2HB GLN 45 1HB GLN 45 -9.922 2.598 -0.207 332 1HG GLN 45 2HG GLN 45 -7.282 2.609 -1.474 333 2HG GLN 45 1HG GLN 45 -8.603 2.096 -2.522 334 1HE2 GLN 45 1HE2 GLN 45 -9.930 3.589 -3.349 335 2HE2 GLN 45 2HE2 GLN 45 -9.885 5.274 -2.968 336 H GLU 46 H GLU 46 -9.822 1.851 2.723 337 HA GLU 46 HA GLU 46 -10.278 4.569 3.170 338 1HB GLU 46 2HB GLU 46 -11.535 2.463 4.049 339 2HB GLU 46 1HB GLU 46 -10.413 2.566 5.399 340 1HG GLU 46 2HG GLU 46 -11.174 4.947 5.699 341 2HG GLU 46 1HG GLU 46 -12.450 4.594 4.536 342 H ALA 47 H ALA 47 -7.798 2.419 4.390 343 HA ALA 47 HA ALA 47 -6.821 4.222 6.384 344 1HB ALA 47 1HB ALA 47 -6.536 1.622 6.141 345 2HB ALA 47 2HB ALA 47 -5.283 2.602 6.903 346 3HB ALA 47 3HB ALA 47 -5.100 2.083 5.227 347 H CYS 48 H CYS 48 -5.689 3.247 3.160 348 HA CYS 48 HA CYS 48 -3.386 4.732 2.961 349 1HB CYS 48 2HB CYS 48 -4.034 3.154 1.247 350 2HB CYS 48 1HB CYS 48 -5.443 4.121 0.830 351 H MET 49 H MET 49 -6.707 5.827 2.660 352 HA MET 49 HA MET 49 -5.969 8.443 1.713 353 1HB MET 49 2HB MET 49 -8.567 7.194 2.572 354 2HB MET 49 1HB MET 49 -8.446 8.907 2.194 355 1HG MET 49 2HG MET 49 -7.918 8.486 -0.052 356 2HG MET 49 1HG MET 49 -7.564 6.789 0.266 357 1HE MET 49 1HE MET 49 -9.471 9.067 -1.285 358 2HE MET 49 2HE MET 49 -10.953 9.275 -0.352 359 3HE MET 49 3HE MET 49 -10.942 8.223 -1.767 360 H LYS 50 H LYS 50 -7.066 7.053 4.785 361 HA LYS 50 HA LYS 50 -7.033 9.599 6.117 362 1HB LYS 50 2HB LYS 50 -7.632 8.382 8.107 363 2HB LYS 50 1HB LYS 50 -8.588 7.783 6.758 364 1HG LYS 50 2HG LYS 50 -7.874 5.722 7.112 365 2HG LYS 50 1HG LYS 50 -6.193 6.239 6.976 366 1HD LYS 50 2HD LYS 50 -6.709 7.135 9.440 367 2HD LYS 50 1HD LYS 50 -7.866 5.802 9.384 368 1HE LYS 50 2HE LYS 50 -6.242 4.215 9.331 369 2HE LYS 50 1HE LYS 50 -5.123 5.235 8.428 370 1HZ LYS 50 1HZ LYS 50 -4.684 4.668 10.917 371 2HZ LYS 50 2HZ LYS 50 -5.758 5.942 11.205 372 3HZ LYS 50 3HZ LYS 50 -4.340 6.215 10.322 373 H ARG 51 H ARG 51 -4.544 7.733 5.077 374 HA ARG 51 HA ARG 51 -2.887 8.202 7.449 375 1HB ARG 51 2HB ARG 51 -3.059 6.011 5.812 376 2HB ARG 51 1HB ARG 51 -1.644 6.832 5.170 377 1HG ARG 51 2HG ARG 51 -2.017 6.135 8.073 378 2HG ARG 51 1HG ARG 51 -1.144 5.134 6.911 379 1HD ARG 51 2HD ARG 51 -0.465 7.991 7.597 380 2HD ARG 51 1HD ARG 51 0.347 6.571 8.256 381 HE ARG 51 HE ARG 51 0.337 6.674 5.383 382 1HH1 ARG 51 1HH1 ARG 51 2.005 7.684 8.278 383 2HH1 ARG 51 2HH1 ARG 51 3.528 7.886 7.480 384 1HH2 ARG 51 1HH2 ARG 51 2.341 6.939 4.332 385 2HH2 ARG 51 2HH2 ARG 51 3.719 7.463 5.241 386 H CYS 52 H CYS 52 -2.834 8.754 3.922 387 HA CYS 52 HA CYS 52 -0.836 10.867 4.406 388 1HB CYS 52 2HB CYS 52 -0.895 8.707 2.516 389 2HB CYS 52 1HB CYS 52 -0.884 10.240 1.651 390 H ALA 53 H ALA 53 -3.952 10.150 3.052 391 HA ALA 53 HA ALA 53 -4.125 12.636 1.590 392 1HB ALA 53 1HB ALA 53 -5.958 11.775 0.614 393 2HB ALA 53 2HB ALA 53 -6.611 11.164 2.135 394 3HB ALA 53 3HB ALA 53 -5.363 10.255 1.281 395 H LYS 54 H LYS 54 -4.879 11.499 4.770 396 HA LYS 54 HA LYS 54 -6.731 13.624 5.364 397 1HB LYS 54 2HB LYS 54 -5.949 11.167 6.578 398 2HB LYS 54 1HB LYS 54 -5.698 12.453 7.749 399 1HG LYS 54 2HG LYS 54 -7.893 11.596 8.063 400 2HG LYS 54 1HG LYS 54 -8.041 13.196 7.330 401 1HD LYS 54 2HD LYS 54 -7.943 11.606 5.126 402 2HD LYS 54 1HD LYS 54 -8.776 10.555 6.273 403 1HE LYS 54 2HE LYS 54 -10.393 12.354 6.716 404 2HE LYS 54 1HE LYS 54 -9.575 13.366 5.525 405 1HZ LYS 54 1HZ LYS 54 -10.169 11.855 3.800 406 2HZ LYS 54 2HZ LYS 54 -11.575 12.208 4.672 407 3HZ LYS 54 3HZ LYS 54 -10.788 10.729 4.901 408 H ALA 55 H ALA 55 -3.648 12.744 6.927 409 HA ALA 55 HA ALA 55 -3.247 15.324 8.016 410 1HB ALA 55 1HB ALA 55 -2.068 13.825 9.240 411 2HB ALA 55 2HB ALA 55 -0.781 14.301 8.132 412 3HB ALA 55 3HB ALA 55 -1.689 12.816 7.844 Start of MODEL 5 1 1H ILE 1 1H ILE 1 7.699 11.788 6.494 2 2H ILE 1 2H ILE 1 7.231 13.439 6.469 3 3H ILE 1 3H ILE 1 8.587 12.915 5.556 4 HA ILE 1 HA ILE 1 5.975 11.724 5.089 5 HB ILE 1 HB ILE 1 5.663 14.196 5.091 6 1HG1 ILE 1 2HG1 ILE 1 4.718 14.297 2.740 7 2HG1 ILE 1 1HG1 ILE 1 5.424 12.707 2.475 8 1HG2 ILE 1 1HG2 ILE 1 6.967 15.636 3.970 9 2HG2 ILE 1 2HG2 ILE 1 7.130 14.564 2.579 10 3HG2 ILE 1 3HG2 ILE 1 8.144 14.323 4.002 11 1HD1 ILE 1 1HD1 ILE 1 3.920 12.643 4.888 12 2HD1 ILE 1 2HD1 ILE 1 3.658 11.753 3.388 13 3HD1 ILE 1 3HD1 ILE 1 2.930 13.344 3.607 14 H ASP 2 H ASP 2 8.188 10.298 4.879 15 HA ASP 2 HA ASP 2 9.024 10.474 2.063 16 1HB ASP 2 2HB ASP 2 10.390 9.197 4.436 17 2HB ASP 2 1HB ASP 2 10.953 9.040 2.775 18 H THR 3 H THR 3 6.924 8.819 4.013 19 HA THR 3 HA THR 3 7.325 6.176 2.941 20 HB THR 3 HB THR 3 5.026 7.315 4.541 21 HG1 THR 3 HG1 THR 3 6.441 7.221 6.075 22 1HG2 THR 3 1HG2 THR 3 4.162 5.359 3.629 23 2HG2 THR 3 2HG2 THR 3 4.779 4.865 5.207 24 3HG2 THR 3 3HG2 THR 3 5.704 4.512 3.748 25 H CYS 4 H CYS 4 5.070 8.849 2.426 26 HA CYS 4 HA CYS 4 3.378 7.486 0.616 27 1HB CYS 4 2HB CYS 4 3.884 10.453 0.910 28 2HB CYS 4 1HB CYS 4 2.539 9.728 0.033 29 H ARG 5 H ARG 5 6.550 8.611 0.245 30 HA ARG 5 HA ARG 5 6.269 8.986 -2.640 31 1HB ARG 5 2HB ARG 5 8.716 9.624 -2.483 32 2HB ARG 5 1HB ARG 5 7.585 10.688 -1.659 33 1HG ARG 5 2HG ARG 5 8.150 9.707 0.470 34 2HG ARG 5 1HG ARG 5 9.201 8.529 -0.319 35 1HD ARG 5 2HD ARG 5 10.716 10.122 0.384 36 2HD ARG 5 1HD ARG 5 10.394 10.633 -1.271 37 HE ARG 5 HE ARG 5 8.692 11.872 0.692 38 1HH1 ARG 5 1HH1 ARG 5 11.738 12.066 -1.001 39 2HH1 ARG 5 2HH1 ARG 5 11.896 13.775 -0.776 40 1HH2 ARG 5 1HH2 ARG 5 8.900 14.121 0.990 41 2HH2 ARG 5 2HH2 ARG 5 10.286 14.942 0.355 42 H LEU 6 H LEU 6 7.535 6.736 -0.296 43 HA LEU 6 HA LEU 6 8.964 5.226 -2.326 44 1HB LEU 6 2HB LEU 6 9.810 3.886 -0.576 45 2HB LEU 6 1HB LEU 6 9.838 5.539 0.007 46 HG LEU 6 HG LEU 6 7.462 4.790 1.003 47 1HD1 LEU 6 1HD1 LEU 6 7.186 2.586 1.382 48 2HD1 LEU 6 2HD1 LEU 6 8.915 2.292 1.571 49 3HD1 LEU 6 3HD1 LEU 6 8.215 2.427 -0.042 50 1HD2 LEU 6 1HD2 LEU 6 10.030 4.032 2.375 51 2HD2 LEU 6 2HD2 LEU 6 8.528 4.603 3.104 52 3HD2 LEU 6 3HD2 LEU 6 9.523 5.706 2.152 53 HA PRO 7 HA PRO 7 5.173 2.964 -3.222 54 1HB PRO 7 2HB PRO 7 6.989 1.352 -4.904 55 2HB PRO 7 1HB PRO 7 5.531 2.241 -5.355 56 1HG PRO 7 2HG PRO 7 7.966 3.106 -6.055 57 2HG PRO 7 1HG PRO 7 6.668 4.234 -5.624 58 1HD PRO 7 2HD PRO 7 9.007 3.321 -3.994 59 2HD PRO 7 1HD PRO 7 8.285 4.939 -4.125 60 H SER 8 H SER 8 4.549 0.633 -3.228 61 HA SER 8 HA SER 8 6.115 -0.836 -1.215 62 1HB SER 8 2HB SER 8 3.397 -0.123 -1.240 63 2HB SER 8 1HB SER 8 3.430 -1.855 -1.569 64 HG SER 8 HG SER 8 4.827 -0.620 0.569 65 H ASP 9 H ASP 9 6.382 -3.095 -1.447 66 HA ASP 9 HA ASP 9 5.865 -4.129 -4.155 67 1HB ASP 9 2HB ASP 9 8.366 -3.546 -3.140 68 2HB ASP 9 1HB ASP 9 8.214 -5.275 -2.841 69 H ARG 10 H ARG 10 4.970 -6.104 -4.282 70 HA ARG 10 HA ARG 10 4.231 -7.414 -1.794 71 1HB ARG 10 2HB ARG 10 2.870 -8.871 -3.366 72 2HB ARG 10 1HB ARG 10 2.429 -7.169 -3.302 73 1HG ARG 10 2HG ARG 10 2.934 -6.834 -5.451 74 2HG ARG 10 1HG ARG 10 4.415 -7.786 -5.349 75 1HD ARG 10 2HD ARG 10 3.343 -9.299 -6.587 76 2HD ARG 10 1HD ARG 10 2.448 -9.690 -5.123 77 HE ARG 10 HE ARG 10 0.695 -8.213 -5.888 78 1HH1 ARG 10 1HH1 ARG 10 3.110 -9.097 -8.265 79 2HH1 ARG 10 2HH1 ARG 10 2.096 -8.731 -9.617 80 1HH2 ARG 10 1HH2 ARG 10 -0.636 -7.723 -7.704 81 2HH2 ARG 10 2HH2 ARG 10 -0.016 -7.958 -9.301 82 HN2 GLY 11 H GLY 11 6.862 -7.601 -3.752 83 1HA GLY 11 2HA GLY 11 8.432 -9.215 -4.223 84 2HA GLY 11 1HA GLY 11 7.980 -9.857 -2.651 85 H ARG 12 H ARG 12 8.713 -11.833 -4.020 86 HA ARG 12 HA ARG 12 6.593 -12.836 -5.740 87 1HB ARG 12 2HB ARG 12 9.187 -13.110 -6.066 88 2HB ARG 12 1HB ARG 12 8.983 -14.473 -4.979 89 1HG ARG 12 2HG ARG 12 7.008 -15.001 -6.701 90 2HG ARG 12 1HG ARG 12 8.105 -14.126 -7.771 91 1HD ARG 12 2HD ARG 12 9.835 -15.675 -7.444 92 2HD ARG 12 1HD ARG 12 9.065 -16.361 -6.014 93 HE ARG 12 HE ARG 12 8.557 -17.048 -8.758 94 1HH1 ARG 12 1HH1 ARG 12 7.243 -17.021 -5.526 95 2HH1 ARG 12 2HH1 ARG 12 6.124 -18.305 -5.835 96 1HH2 ARG 12 1HH2 ARG 12 7.086 -18.739 -9.167 97 2HH2 ARG 12 2HH2 ARG 12 6.036 -19.282 -7.901 98 H CYS 13 H CYS 13 8.448 -14.617 -3.280 99 HA CYS 13 HA CYS 13 7.714 -16.359 -1.947 100 1HB CYS 13 2HB CYS 13 5.885 -14.229 -0.857 101 2HB CYS 13 1HB CYS 13 6.758 -15.478 0.024 102 H LYS 14 H LYS 14 5.076 -16.373 -0.591 103 HA LYS 14 HA LYS 14 3.495 -17.466 -2.818 104 1HB LYS 14 2HB LYS 14 2.292 -18.612 -0.754 105 2HB LYS 14 1HB LYS 14 3.745 -19.298 -1.465 106 1HG LYS 14 2HG LYS 14 3.995 -19.369 0.892 107 2HG LYS 14 1HG LYS 14 5.068 -18.104 0.290 108 1HD LYS 14 2HD LYS 14 4.002 -17.224 2.216 109 2HD LYS 14 1HD LYS 14 3.229 -16.459 0.826 110 1HE LYS 14 2HE LYS 14 1.238 -17.355 1.311 111 2HE LYS 14 1HE LYS 14 1.934 -18.944 1.622 112 1HZ LYS 14 1HZ LYS 14 2.424 -16.889 3.627 113 2HZ LYS 14 2HZ LYS 14 2.105 -18.538 3.822 114 3HZ LYS 14 3HZ LYS 14 0.836 -17.463 3.512 115 H ALA 15 H ALA 15 3.264 -14.854 -2.690 116 HA ALA 15 HA ALA 15 1.581 -13.611 -0.913 117 1HB ALA 15 1HB ALA 15 1.211 -11.951 -2.559 118 2HB ALA 15 2HB ALA 15 1.509 -13.089 -3.874 119 3HB ALA 15 3HB ALA 15 2.838 -12.574 -2.834 120 H SER 16 H SER 16 -0.585 -13.397 -0.613 121 HA SER 16 HA SER 16 -2.488 -14.499 -2.468 122 1HB SER 16 2HB SER 16 -3.418 -15.904 -0.377 123 2HB SER 16 1HB SER 16 -2.300 -16.586 -1.559 124 HG SER 16 HG SER 16 -1.847 -15.785 1.075 125 H PHE 17 H PHE 17 -1.815 -11.974 -0.912 126 HA PHE 17 HA PHE 17 -4.523 -11.562 0.172 127 1HB PHE 17 2HB PHE 17 -1.905 -10.547 1.290 128 2HB PHE 17 1HB PHE 17 -3.480 -9.945 1.795 129 HD1 PHE 17 HD2 PHE 17 -1.182 -12.794 1.873 130 HD2 PHE 17 HD1 PHE 17 -4.933 -11.267 3.180 131 HE1 PHE 17 HE2 PHE 17 -1.341 -14.610 3.525 132 HE2 PHE 17 HE1 PHE 17 -5.099 -13.079 4.836 133 HZ PHE 17 HZ PHE 17 -3.301 -14.755 5.010 134 H GLU 18 H GLU 18 -5.332 -9.382 0.008 135 HA GLU 18 HA GLU 18 -4.106 -7.908 -2.230 136 1HB GLU 18 2HB GLU 18 -6.406 -6.933 -2.536 137 2HB GLU 18 1HB GLU 18 -6.287 -8.658 -2.850 138 1HG GLU 18 2HG GLU 18 -7.095 -7.733 -0.139 139 2HG GLU 18 1HG GLU 18 -8.266 -7.680 -1.456 140 H ARG 19 H ARG 19 -3.311 -5.935 -1.841 141 HA ARG 19 HA ARG 19 -4.286 -4.468 0.516 142 1HB ARG 19 2HB ARG 19 -1.624 -5.528 0.050 143 2HB ARG 19 1HB ARG 19 -1.590 -3.789 0.296 144 1HG ARG 19 2HG ARG 19 -1.294 -4.722 2.419 145 2HG ARG 19 1HG ARG 19 -2.981 -4.207 2.378 146 1HD ARG 19 2HD ARG 19 -3.401 -6.650 1.565 147 2HD ARG 19 1HD ARG 19 -1.831 -6.962 2.299 148 HE ARG 19 HE ARG 19 -3.043 -5.747 4.304 149 1HH1 ARG 19 1HH1 ARG 19 -4.295 -8.197 2.148 150 2HH1 ARG 19 2HH1 ARG 19 -5.379 -8.852 3.328 151 1HH2 ARG 19 1HH2 ARG 19 -4.468 -6.613 5.849 152 2HH2 ARG 19 2HH2 ARG 19 -5.478 -7.956 5.427 153 H TRP 20 H TRP 20 -3.319 -2.159 0.482 154 HA TRP 20 HA TRP 20 -3.547 -1.103 -2.261 155 1HB TRP 20 2HB TRP 20 -4.423 0.139 0.357 156 2HB TRP 20 1HB TRP 20 -4.438 0.975 -1.193 157 HD1 TRP 20 HD1 TRP 20 -6.204 -1.890 0.668 158 HE1 TRP 20 HE1 TRP 20 -8.478 -2.307 -0.456 159 HE3 TRP 20 HE3 TRP 20 -5.718 1.251 -3.337 160 HZ2 TRP 20 HZ2 TRP 20 -9.879 -1.425 -2.732 161 HZ3 TRP 20 HZ3 TRP 20 -7.576 1.405 -4.943 162 HH2 TRP 20 HH2 TRP 20 -9.615 0.093 -4.647 163 H TYR 21 H TYR 21 -2.197 0.621 -2.854 164 HA TYR 21 HA TYR 21 -0.047 1.322 -0.978 165 1HB TYR 21 2HB TYR 21 1.475 1.171 -3.131 166 2HB TYR 21 1HB TYR 21 1.153 -0.265 -2.162 167 HD1 TYR 21 HD1 TYR 21 -1.104 -1.518 -2.899 168 HD2 TYR 21 HD2 TYR 21 1.288 0.927 -5.425 169 HE1 TYR 21 HE1 TYR 21 -2.061 -2.621 -4.857 170 HE2 TYR 21 HE2 TYR 21 0.334 -0.182 -7.404 171 HH TYR 21 HH TYR 21 -0.792 -2.410 -7.922 172 H PHE 22 H PHE 22 0.519 3.417 -1.023 173 HA PHE 22 HA PHE 22 -1.044 5.252 -2.533 174 1HB PHE 22 2HB PHE 22 0.340 5.436 -0.214 175 2HB PHE 22 1HB PHE 22 1.470 6.225 -1.308 176 HD1 PHE 22 HD1 PHE 22 -1.898 6.365 0.147 177 HD2 PHE 22 HD2 PHE 22 0.997 8.364 -2.248 178 HE1 PHE 22 HE1 PHE 22 -3.210 8.440 0.300 179 HE2 PHE 22 HE2 PHE 22 -0.309 10.444 -2.097 180 HZ PHE 22 HZ PHE 22 -2.416 10.484 -0.823 181 H ASN 23 H ASN 23 -0.779 5.676 -4.613 182 HA ASN 23 HA ASN 23 1.845 5.318 -5.845 183 1HB ASN 23 2HB ASN 23 -0.497 4.471 -6.745 184 2HB ASN 23 1HB ASN 23 -0.571 6.096 -7.421 185 1HD2 ASN 23 1HD2 ASN 23 -0.562 3.913 -9.052 186 2HD2 ASN 23 2HD2 ASN 23 0.931 3.831 -9.916 187 HN2 GLY 24 H GLY 24 1.726 7.500 -4.150 188 1HA GLY 24 2HA GLY 24 2.464 9.680 -4.166 189 2HA GLY 24 1HA GLY 24 2.544 9.584 -5.917 190 H ARG 25 H ARG 25 0.383 9.700 -7.052 191 HA ARG 25 HA ARG 25 -1.110 11.911 -5.873 192 1HB ARG 25 2HB ARG 25 -2.124 12.079 -8.164 193 2HB ARG 25 1HB ARG 25 -0.384 12.318 -8.105 194 1HG ARG 25 2HG ARG 25 -1.157 9.546 -8.576 195 2HG ARG 25 1HG ARG 25 -1.714 10.659 -9.824 196 1HD ARG 25 2HD ARG 25 0.977 11.316 -9.154 197 2HD ARG 25 1HD ARG 25 0.881 9.581 -9.449 198 HE ARG 25 HE ARG 25 -0.471 10.655 -11.540 199 1HH1 ARG 25 1HH1 ARG 25 2.707 11.190 -10.198 200 2HH1 ARG 25 2HH1 ARG 25 3.411 11.629 -11.717 201 1HH2 ARG 25 1HH2 ARG 25 0.456 11.229 -13.540 202 2HH2 ARG 25 2HH2 ARG 25 2.135 11.650 -13.614 203 H THR 26 H THR 26 -1.577 8.583 -6.896 204 HA THR 26 HA THR 26 -4.206 8.636 -5.602 205 HB THR 26 HB THR 26 -4.623 8.896 -8.002 206 HG1 THR 26 HG1 THR 26 -5.270 6.239 -7.293 207 1HG2 THR 26 1HG2 THR 26 -4.097 6.431 -9.115 208 2HG2 THR 26 2HG2 THR 26 -2.614 6.830 -8.246 209 3HG2 THR 26 3HG2 THR 26 -3.255 7.942 -9.457 210 H CYS 27 H CYS 27 -5.067 6.355 -5.313 211 HA CYS 27 HA CYS 27 -2.909 4.720 -4.251 212 1HB CYS 27 2HB CYS 27 -5.292 5.341 -3.187 213 2HB CYS 27 1HB CYS 27 -5.738 3.849 -4.009 214 H ALA 28 H ALA 28 -3.388 2.253 -4.420 215 HA ALA 28 HA ALA 28 -4.392 1.449 -7.020 216 1HB ALA 28 1HB ALA 28 -1.496 1.340 -6.280 217 2HB ALA 28 2HB ALA 28 -2.244 1.943 -7.757 218 3HB ALA 28 3HB ALA 28 -2.187 0.210 -7.444 219 H LYS 29 H LYS 29 -3.905 -1.072 -7.259 220 HA LYS 29 HA LYS 29 -4.143 -2.382 -4.653 221 1HB LYS 29 2HB LYS 29 -6.433 -1.824 -5.573 222 2HB LYS 29 1HB LYS 29 -6.092 -2.946 -6.885 223 1HG LYS 29 2HG LYS 29 -6.452 -4.750 -5.607 224 2HG LYS 29 1HG LYS 29 -5.657 -4.040 -4.200 225 1HD LYS 29 2HD LYS 29 -7.891 -2.501 -4.382 226 2HD LYS 29 1HD LYS 29 -8.495 -4.053 -4.968 227 1HE LYS 29 2HE LYS 29 -7.396 -5.068 -2.902 228 2HE LYS 29 1HE LYS 29 -7.244 -3.414 -2.310 229 1HZ LYS 29 1HZ LYS 29 -9.811 -3.456 -2.997 230 2HZ LYS 29 2HZ LYS 29 -9.259 -3.863 -1.451 231 3HZ LYS 29 3HZ LYS 29 -9.607 -5.081 -2.571 232 H PHE 30 H PHE 30 -3.346 -4.413 -4.551 233 HA PHE 30 HA PHE 30 -2.810 -6.001 -6.862 234 1HB PHE 30 2HB PHE 30 -0.383 -6.019 -6.731 235 2HB PHE 30 1HB PHE 30 -0.957 -4.386 -7.030 236 HD1 PHE 30 HD1 PHE 30 -1.713 -4.736 -3.722 237 HD2 PHE 30 HD2 PHE 30 1.700 -4.523 -6.259 238 HE1 PHE 30 HE1 PHE 30 -0.369 -3.926 -1.837 239 HE2 PHE 30 HE2 PHE 30 3.050 -3.713 -4.371 240 HZ PHE 30 HZ PHE 30 2.018 -3.412 -2.157 241 H ILE 31 H ILE 31 -1.269 -7.920 -6.155 242 HA ILE 31 HA ILE 31 -2.494 -8.988 -3.749 243 HB ILE 31 HB ILE 31 -0.652 -10.330 -5.734 244 1HG1 ILE 31 2HG1 ILE 31 -2.776 -9.588 -6.750 245 2HG1 ILE 31 1HG1 ILE 31 -2.668 -11.344 -6.666 246 1HG2 ILE 31 1HG2 ILE 31 -1.654 -12.419 -4.735 247 2HG2 ILE 31 2HG2 ILE 31 -2.297 -11.395 -3.450 248 3HG2 ILE 31 3HG2 ILE 31 -0.553 -11.522 -3.688 249 1HD1 ILE 31 1HD1 ILE 31 -4.055 -11.245 -4.594 250 2HD1 ILE 31 2HD1 ILE 31 -4.874 -10.714 -6.064 251 3HD1 ILE 31 3HD1 ILE 31 -4.283 -9.524 -4.904 252 H TYR 32 H TYR 32 -1.513 -8.341 -1.937 253 HA TYR 32 HA TYR 32 1.370 -8.019 -1.856 254 1HB TYR 32 2HB TYR 32 -0.085 -6.336 -0.803 255 2HB TYR 32 1HB TYR 32 -0.717 -7.565 0.287 256 HD1 TYR 32 HD1 TYR 32 2.679 -6.413 -0.797 257 HD2 TYR 32 HD2 TYR 32 0.093 -7.408 2.431 258 HE1 TYR 32 HE1 TYR 32 4.483 -5.911 0.797 259 HE2 TYR 32 HE2 TYR 32 1.887 -6.907 4.033 260 HH TYR 32 HH TYR 32 3.933 -5.658 4.176 261 HN2 GLY 33 H GLY 33 2.631 -9.663 -1.431 262 1HA GLY 33 2HA GLY 33 1.567 -11.960 0.049 263 2HA GLY 33 1HA GLY 33 3.034 -11.946 -0.918 264 HN2 GLY 34 H GLY 34 2.734 -9.238 1.125 265 1HA GLY 34 2HA GLY 34 3.633 -8.717 3.189 266 2HA GLY 34 1HA GLY 34 3.868 -10.432 3.477 267 H CYS 35 H CYS 35 5.248 -9.737 0.539 268 HA CYS 35 HA CYS 35 7.887 -9.418 1.797 269 1HB CYS 35 2HB CYS 35 7.297 -10.582 -0.927 270 2HB CYS 35 1HB CYS 35 8.832 -10.616 -0.064 271 HN2 GLY 36 H GLY 36 8.298 -7.273 1.770 272 1HA GLY 36 2HA GLY 36 9.412 -5.591 0.417 273 2HA GLY 36 1HA GLY 36 8.293 -5.975 -0.880 274 HN2 GLY 37 H GLY 37 7.455 -5.488 2.519 275 1HA GLY 37 2HA GLY 37 5.997 -3.052 1.696 276 2HA GLY 37 1HA GLY 37 5.332 -4.224 2.824 277 H ASN 38 H ASN 38 5.678 -1.433 3.305 278 HA ASN 38 HA ASN 38 7.208 -1.613 5.759 279 1HB ASN 38 2HB ASN 38 8.204 0.760 5.036 280 2HB ASN 38 1HB ASN 38 9.038 -0.751 4.690 281 1HD2 ASN 38 1HD2 ASN 38 10.079 -0.145 2.868 282 2HD2 ASN 38 2HD2 ASN 38 9.285 0.306 1.400 283 HN2 GLY 39 H GLY 39 6.163 1.247 3.934 284 1HA GLY 39 2HA GLY 39 4.004 1.629 5.901 285 2HA GLY 39 1HA GLY 39 5.138 2.929 5.569 286 H ASN 40 H ASN 40 4.740 1.350 2.703 287 HA ASN 40 HA ASN 40 2.899 3.392 1.752 288 1HB ASN 40 2HB ASN 40 5.089 2.761 0.593 289 2HB ASN 40 1HB ASN 40 4.271 1.288 0.081 290 1HD2 ASN 40 1HD2 ASN 40 3.739 4.794 0.150 291 2HD2 ASN 40 2HD2 ASN 40 3.032 4.890 -1.424 292 H LYS 41 H LYS 41 3.024 -0.052 2.305 293 HA LYS 41 HA LYS 41 0.653 -0.650 0.805 294 1HB LYS 41 2HB LYS 41 0.819 -2.868 1.978 295 2HB LYS 41 1HB LYS 41 2.243 -2.408 1.055 296 1HG LYS 41 2HG LYS 41 3.519 -2.612 2.850 297 2HG LYS 41 1HG LYS 41 2.521 -1.455 3.731 298 1HD LYS 41 2HD LYS 41 1.601 -4.282 3.411 299 2HD LYS 41 1HD LYS 41 2.802 -3.880 4.640 300 1HE LYS 41 2HE LYS 41 1.145 -2.035 5.340 301 2HE LYS 41 1HE LYS 41 -0.035 -2.941 4.394 302 1HZ LYS 41 1HZ LYS 41 1.527 -4.499 6.280 303 2HZ LYS 41 2HZ LYS 41 -0.121 -4.580 5.911 304 3HZ LYS 41 3HZ LYS 41 0.450 -3.392 6.970 305 H PHE 42 H PHE 42 -1.380 -1.256 1.632 306 HA PHE 42 HA PHE 42 -1.955 -0.779 4.437 307 1HB PHE 42 2HB PHE 42 -3.130 0.893 2.214 308 2HB PHE 42 1HB PHE 42 -3.869 0.766 3.807 309 HD1 PHE 42 HD2 PHE 42 -2.148 1.202 5.800 310 HD2 PHE 42 HD1 PHE 42 -1.756 2.683 1.830 311 HE1 PHE 42 HE2 PHE 42 -0.692 3.008 6.622 312 HE2 PHE 42 HE1 PHE 42 -0.301 4.491 2.644 313 HZ PHE 42 HZ PHE 42 0.232 4.657 5.043 314 HA PRO 43 HA PRO 43 -4.703 -4.165 3.735 315 1HB PRO 43 2HB PRO 43 -6.571 -3.638 5.681 316 2HB PRO 43 1HB PRO 43 -5.004 -4.395 5.987 317 1HG PRO 43 2HG PRO 43 -5.828 -1.541 6.332 318 2HG PRO 43 1HG PRO 43 -4.829 -2.555 7.389 319 1HD PRO 43 2HD PRO 43 -3.737 -0.737 5.740 320 2HD PRO 43 1HD PRO 43 -2.942 -2.291 6.069 321 H THR 44 H THR 44 -6.326 -1.039 4.317 322 HA THR 44 HA THR 44 -8.153 -1.695 2.102 323 HB THR 44 HB THR 44 -9.831 -0.231 3.420 324 HG1 THR 44 HG1 THR 44 -8.111 -1.036 5.526 325 1HG2 THR 44 1HG2 THR 44 -9.185 -3.044 3.722 326 2HG2 THR 44 2HG2 THR 44 -10.748 -2.249 3.531 327 3HG2 THR 44 3HG2 THR 44 -10.008 -2.369 5.127 328 H GLN 45 H GLN 45 -9.205 0.262 1.154 329 HA GLN 45 HA GLN 45 -7.240 2.131 0.363 330 1HB GLN 45 2HB GLN 45 -9.463 1.331 -0.802 331 2HB GLN 45 1HB GLN 45 -10.157 2.710 0.039 332 1HG GLN 45 2HG GLN 45 -7.928 3.802 -1.090 333 2HG GLN 45 1HG GLN 45 -8.413 2.614 -2.299 334 1HE2 GLN 45 1HE2 GLN 45 -9.402 5.447 -0.508 335 2HE2 GLN 45 2HE2 GLN 45 -10.672 5.921 -1.579 336 H GLU 46 H GLU 46 -9.662 2.143 2.868 337 HA GLU 46 HA GLU 46 -9.874 4.869 3.386 338 1HB GLU 46 2HB GLU 46 -10.889 2.597 4.514 339 2HB GLU 46 1HB GLU 46 -9.797 3.151 5.775 340 1HG GLU 46 2HG GLU 46 -12.089 3.977 6.064 341 2HG GLU 46 1HG GLU 46 -10.915 5.278 5.876 342 H ALA 47 H ALA 47 -7.490 2.519 4.533 343 HA ALA 47 HA ALA 47 -6.100 4.382 6.191 344 1HB ALA 47 1HB ALA 47 -4.345 2.610 6.260 345 2HB ALA 47 2HB ALA 47 -5.315 1.677 5.122 346 3HB ALA 47 3HB ALA 47 -5.953 2.056 6.723 347 H CYS 48 H CYS 48 -5.993 3.544 2.832 348 HA CYS 48 HA CYS 48 -3.400 4.284 2.147 349 1HB CYS 48 2HB CYS 48 -4.980 3.187 0.599 350 2HB CYS 48 1HB CYS 48 -5.919 4.672 0.516 351 H MET 49 H MET 49 -6.341 6.299 2.157 352 HA MET 49 HA MET 49 -4.727 8.691 1.784 353 1HB MET 49 2HB MET 49 -7.712 8.274 1.964 354 2HB MET 49 1HB MET 49 -6.954 9.843 1.741 355 1HG MET 49 2HG MET 49 -5.802 8.570 -0.281 356 2HG MET 49 1HG MET 49 -7.265 7.594 -0.156 357 1HE MET 49 1HE MET 49 -5.754 10.979 -1.444 358 2HE MET 49 2HE MET 49 -6.234 11.314 0.221 359 3HE MET 49 3HE MET 49 -7.084 12.090 -1.116 360 H LYS 50 H LYS 50 -6.431 7.016 4.311 361 HA LYS 50 HA LYS 50 -6.602 9.200 6.124 362 1HB LYS 50 2HB LYS 50 -8.039 7.221 6.312 363 2HB LYS 50 1HB LYS 50 -6.634 6.228 6.670 364 1HG LYS 50 2HG LYS 50 -7.759 6.699 8.716 365 2HG LYS 50 1HG LYS 50 -6.248 7.611 8.700 366 1HD LYS 50 2HD LYS 50 -7.923 9.418 7.593 367 2HD LYS 50 1HD LYS 50 -9.041 8.557 8.652 368 1HE LYS 50 2HE LYS 50 -7.193 8.873 10.443 369 2HE LYS 50 1HE LYS 50 -6.593 10.129 9.359 370 1HZ LYS 50 1HZ LYS 50 -8.144 10.919 11.118 371 2HZ LYS 50 2HZ LYS 50 -9.380 10.036 10.371 372 3HZ LYS 50 3HZ LYS 50 -8.629 11.306 9.544 373 H ARG 51 H ARG 51 -3.996 7.230 5.126 374 HA ARG 51 HA ARG 51 -2.461 7.953 7.529 375 1HB ARG 51 2HB ARG 51 -2.762 5.485 6.575 376 2HB ARG 51 1HB ARG 51 -1.405 5.977 5.572 377 1HG ARG 51 2HG ARG 51 -0.556 4.859 7.501 378 2HG ARG 51 1HG ARG 51 -0.165 6.575 7.640 379 1HD ARG 51 2HD ARG 51 -0.957 5.649 9.764 380 2HD ARG 51 1HD ARG 51 -2.039 6.899 9.153 381 HE ARG 51 HE ARG 51 -3.689 5.322 8.920 382 1HH1 ARG 51 1HH1 ARG 51 -0.637 3.716 9.457 383 2HH1 ARG 51 2HH1 ARG 51 -1.355 2.155 9.675 384 1HH2 ARG 51 1HH2 ARG 51 -4.634 3.270 9.205 385 2HH2 ARG 51 2HH2 ARG 51 -3.624 1.901 9.531 386 H CYS 52 H CYS 52 -2.607 8.269 4.058 387 HA CYS 52 HA CYS 52 -0.025 9.675 4.075 388 1HB CYS 52 2HB CYS 52 -1.428 8.019 2.111 389 2HB CYS 52 1HB CYS 52 -0.782 9.508 1.431 390 H ALA 53 H ALA 53 -3.440 10.119 3.539 391 HA ALA 53 HA ALA 53 -3.012 12.821 2.511 392 1HB ALA 53 1HB ALA 53 -4.831 10.965 1.792 393 2HB ALA 53 2HB ALA 53 -5.055 12.701 1.572 394 3HB ALA 53 3HB ALA 53 -5.766 11.890 2.968 395 H LYS 54 H LYS 54 -4.816 11.220 5.136 396 HA LYS 54 HA LYS 54 -5.467 13.665 6.440 397 1HB LYS 54 2HB LYS 54 -5.791 10.778 7.000 398 2HB LYS 54 1HB LYS 54 -5.757 11.833 8.406 399 1HG LYS 54 2HG LYS 54 -8.033 11.407 7.608 400 2HG LYS 54 1HG LYS 54 -7.607 13.118 7.532 401 1HD LYS 54 2HD LYS 54 -7.157 12.915 5.147 402 2HD LYS 54 1HD LYS 54 -7.525 11.191 5.211 403 1HE LYS 54 2HE LYS 54 -9.748 11.539 5.219 404 2HE LYS 54 1HE LYS 54 -9.624 12.937 6.286 405 1HZ LYS 54 1HZ LYS 54 -8.651 13.249 3.551 406 2HZ LYS 54 2HZ LYS 54 -9.438 14.362 4.551 407 3HZ LYS 54 3HZ LYS 54 -10.327 13.155 3.766 408 H ALA 55 H ALA 55 -3.261 11.024 7.386 409 HA ALA 55 HA ALA 55 -2.072 12.397 9.526 410 1HB ALA 55 1HB ALA 55 -1.503 9.953 7.987 411 2HB ALA 55 2HB ALA 55 -1.538 10.218 9.730 412 3HB ALA 55 3HB ALA 55 -0.116 10.683 8.795 Start of MODEL 6 1 1H ILE 1 1H ILE 1 6.662 15.329 3.182 2 2H ILE 1 2H ILE 1 7.205 14.689 1.686 3 3H ILE 1 3H ILE 1 8.338 15.093 2.909 4 HA ILE 1 HA ILE 1 7.849 13.322 4.175 5 HB ILE 1 HB ILE 1 5.759 11.936 3.748 6 1HG1 ILE 1 2HG1 ILE 1 4.730 14.447 2.432 7 2HG1 ILE 1 1HG1 ILE 1 5.376 13.105 1.492 8 1HG2 ILE 1 1HG2 ILE 1 4.482 13.212 5.247 9 2HG2 ILE 1 2HG2 ILE 1 5.150 14.733 4.656 10 3HG2 ILE 1 3HG2 ILE 1 6.156 13.636 5.601 11 1HD1 ILE 1 1HD1 ILE 1 3.088 12.740 1.491 12 2HD1 ILE 1 2HD1 ILE 1 2.914 13.203 3.185 13 3HD1 ILE 1 3HD1 ILE 1 3.673 11.668 2.764 14 H ASP 2 H ASP 2 8.753 11.376 3.768 15 HA ASP 2 HA ASP 2 9.159 10.675 0.949 16 1HB ASP 2 2HB ASP 2 10.689 10.032 3.464 17 2HB ASP 2 1HB ASP 2 10.967 9.156 1.963 18 H THR 3 H THR 3 7.686 9.571 3.879 19 HA THR 3 HA THR 3 7.536 6.834 3.475 20 HB THR 3 HB THR 3 5.371 8.592 4.641 21 HG1 THR 3 HG1 THR 3 7.208 9.038 5.757 22 1HG2 THR 3 1HG2 THR 3 4.316 6.769 5.301 23 2HG2 THR 3 2HG2 THR 3 5.796 6.098 5.986 24 3HG2 THR 3 3HG2 THR 3 5.408 5.826 4.287 25 H CYS 4 H CYS 4 5.737 9.421 1.968 26 HA CYS 4 HA CYS 4 3.782 7.685 0.771 27 1HB CYS 4 2HB CYS 4 4.010 10.439 1.223 28 2HB CYS 4 1HB CYS 4 4.030 10.261 -0.527 29 H ARG 5 H ARG 5 6.987 8.070 0.140 30 HA ARG 5 HA ARG 5 6.626 7.650 -2.751 31 1HB ARG 5 2HB ARG 5 9.195 8.494 -1.426 32 2HB ARG 5 1HB ARG 5 8.777 8.573 -3.132 33 1HG ARG 5 2HG ARG 5 7.086 10.289 -2.609 34 2HG ARG 5 1HG ARG 5 7.598 10.243 -0.921 35 1HD ARG 5 2HD ARG 5 9.975 10.608 -2.167 36 2HD ARG 5 1HD ARG 5 8.893 11.466 -3.263 37 HE ARG 5 HE ARG 5 8.508 12.143 -0.497 38 1HH1 ARG 5 1HH1 ARG 5 10.333 12.849 -3.387 39 2HH1 ARG 5 2HH1 ARG 5 10.730 14.460 -2.893 40 1HH2 ARG 5 1HH2 ARG 5 9.028 14.262 0.154 41 2HH2 ARG 5 2HH2 ARG 5 9.989 15.263 -0.883 42 H LEU 6 H LEU 6 7.124 5.953 0.009 43 HA LEU 6 HA LEU 6 9.289 4.264 -0.693 44 1HB LEU 6 2HB LEU 6 6.986 3.505 1.089 45 2HB LEU 6 1HB LEU 6 8.630 2.899 1.138 46 HG LEU 6 HG LEU 6 7.740 5.682 1.893 47 1HD1 LEU 6 1HD1 LEU 6 8.168 5.076 4.129 48 2HD1 LEU 6 2HD1 LEU 6 8.946 3.567 3.653 49 3HD1 LEU 6 3HD1 LEU 6 7.204 3.763 3.453 50 1HD2 LEU 6 1HD2 LEU 6 10.490 4.498 2.182 51 2HD2 LEU 6 2HD2 LEU 6 9.990 6.171 2.433 52 3HD2 LEU 6 3HD2 LEU 6 10.013 5.492 0.806 53 HA PRO 7 HA PRO 7 7.010 1.785 -3.637 54 1HB PRO 7 2HB PRO 7 9.046 0.325 -4.547 55 2HB PRO 7 1HB PRO 7 8.946 2.057 -4.890 56 1HG PRO 7 2HG PRO 7 10.624 0.613 -2.884 57 2HG PRO 7 1HG PRO 7 11.040 2.002 -3.903 58 1HD PRO 7 2HD PRO 7 10.263 2.135 -1.233 59 2HD PRO 7 1HD PRO 7 10.228 3.487 -2.382 60 H SER 8 H SER 8 5.725 0.646 -2.078 61 HA SER 8 HA SER 8 6.739 -1.539 -0.569 62 1HB SER 8 2HB SER 8 4.005 -0.507 -1.224 63 2HB SER 8 1HB SER 8 4.173 -2.105 -0.498 64 HG SER 8 HG SER 8 5.377 -1.083 1.195 65 H ASP 9 H ASP 9 6.911 -3.654 -1.037 66 HA ASP 9 HA ASP 9 6.216 -4.478 -3.769 67 1HB ASP 9 2HB ASP 9 8.564 -4.796 -2.264 68 2HB ASP 9 1HB ASP 9 7.830 -6.396 -2.319 69 H ARG 10 H ARG 10 4.600 -5.867 -4.090 70 HA ARG 10 HA ARG 10 3.005 -6.797 -1.958 71 1HB ARG 10 2HB ARG 10 1.835 -8.094 -3.747 72 2HB ARG 10 1HB ARG 10 1.984 -6.379 -4.069 73 1HG ARG 10 2HG ARG 10 2.791 -6.932 -6.057 74 2HG ARG 10 1HG ARG 10 4.249 -7.469 -5.221 75 1HD ARG 10 2HD ARG 10 3.606 -9.293 -6.540 76 2HD ARG 10 1HD ARG 10 3.059 -9.698 -4.915 77 HE ARG 10 HE ARG 10 0.829 -8.760 -5.759 78 1HH1 ARG 10 1HH1 ARG 10 3.128 -10.495 -7.747 79 2HH1 ARG 10 2HH1 ARG 10 1.926 -11.077 -8.846 80 1HH2 ARG 10 1HH2 ARG 10 -0.752 -9.542 -7.225 81 2HH2 ARG 10 2HH2 ARG 10 -0.266 -10.539 -8.551 82 HN2 GLY 11 H GLY 11 5.884 -8.037 -3.263 83 1HA GLY 11 2HA GLY 11 7.027 -9.992 -2.919 84 2HA GLY 11 1HA GLY 11 6.068 -10.133 -1.455 85 H ARG 12 H ARG 12 6.770 -11.508 -4.428 86 HA ARG 12 HA ARG 12 4.255 -12.781 -4.927 87 1HB ARG 12 2HB ARG 12 6.697 -12.477 -6.299 88 2HB ARG 12 1HB ARG 12 6.483 -14.208 -6.073 89 1HG ARG 12 2HG ARG 12 4.169 -12.631 -7.062 90 2HG ARG 12 1HG ARG 12 5.507 -12.945 -8.169 91 1HD ARG 12 2HD ARG 12 4.898 -15.362 -6.802 92 2HD ARG 12 1HD ARG 12 3.390 -14.678 -7.406 93 HE ARG 12 HE ARG 12 5.517 -15.814 -8.956 94 1HH1 ARG 12 1HH1 ARG 12 2.870 -13.541 -9.002 95 2HH1 ARG 12 2HH1 ARG 12 2.660 -13.629 -10.719 96 1HH2 ARG 12 1HH2 ARG 12 5.244 -15.930 -11.214 97 2HH2 ARG 12 2HH2 ARG 12 4.009 -14.984 -11.975 98 H CYS 13 H CYS 13 6.565 -13.241 -2.565 99 HA CYS 13 HA CYS 13 7.025 -15.904 -2.282 100 1HB CYS 13 2HB CYS 13 6.223 -14.077 -0.010 101 2HB CYS 13 1HB CYS 13 7.191 -15.542 0.110 102 H LYS 14 H LYS 14 4.464 -14.536 -0.236 103 HA LYS 14 HA LYS 14 2.892 -16.968 -0.758 104 1HB LYS 14 2HB LYS 14 2.853 -15.148 1.656 105 2HB LYS 14 1HB LYS 14 1.855 -16.579 1.444 106 1HG LYS 14 2HG LYS 14 3.505 -17.968 2.031 107 2HG LYS 14 1HG LYS 14 4.719 -17.070 1.118 108 1HD LYS 14 2HD LYS 14 5.510 -16.363 3.080 109 2HD LYS 14 1HD LYS 14 4.055 -15.374 3.213 110 1HE LYS 14 2HE LYS 14 3.680 -18.169 4.003 111 2HE LYS 14 1HE LYS 14 4.835 -17.288 5.002 112 1HZ LYS 14 1HZ LYS 14 3.100 -15.543 5.254 113 2HZ LYS 14 2HZ LYS 14 2.694 -17.027 5.957 114 3HZ LYS 14 3HZ LYS 14 2.003 -16.575 4.480 115 H ALA 15 H ALA 15 2.739 -14.822 -2.560 116 HA ALA 15 HA ALA 15 0.831 -12.891 -2.194 117 1HB ALA 15 1HB ALA 15 0.285 -13.608 -4.743 118 2HB ALA 15 2HB ALA 15 1.856 -14.377 -4.515 119 3HB ALA 15 3HB ALA 15 1.680 -12.640 -4.263 120 H SER 16 H SER 16 -0.956 -13.360 -1.002 121 HA SER 16 HA SER 16 -2.915 -15.139 -2.259 122 1HB SER 16 2HB SER 16 -2.638 -15.161 0.727 123 2HB SER 16 1HB SER 16 -3.365 -16.369 -0.333 124 HG SER 16 HG SER 16 -1.506 -17.325 -0.271 125 H PHE 17 H PHE 17 -2.239 -12.375 -0.216 126 HA PHE 17 HA PHE 17 -5.108 -11.719 -0.210 127 1HB PHE 17 2HB PHE 17 -2.910 -10.685 1.594 128 2HB PHE 17 1HB PHE 17 -4.605 -10.220 1.681 129 HD1 PHE 17 HD2 PHE 17 -2.375 -13.188 1.883 130 HD2 PHE 17 HD1 PHE 17 -6.062 -11.402 3.036 131 HE1 PHE 17 HE2 PHE 17 -2.807 -15.073 3.405 132 HE2 PHE 17 HE1 PHE 17 -6.501 -13.284 4.560 133 HZ PHE 17 HZ PHE 17 -4.873 -15.122 4.745 134 H GLU 18 H GLU 18 -5.465 -9.254 -0.130 135 HA GLU 18 HA GLU 18 -3.700 -7.962 -2.103 136 1HB GLU 18 2HB GLU 18 -5.772 -6.767 -2.907 137 2HB GLU 18 1HB GLU 18 -5.708 -8.487 -3.267 138 1HG GLU 18 2HG GLU 18 -7.106 -8.835 -1.186 139 2HG GLU 18 1HG GLU 18 -7.348 -7.089 -1.179 140 H ARG 19 H ARG 19 -3.193 -5.819 -1.773 141 HA ARG 19 HA ARG 19 -4.440 -4.427 0.477 142 1HB ARG 19 2HB ARG 19 -1.476 -4.942 0.217 143 2HB ARG 19 1HB ARG 19 -2.168 -3.751 1.309 144 1HG ARG 19 2HG ARG 19 -3.577 -5.861 2.095 145 2HG ARG 19 1HG ARG 19 -2.153 -6.706 1.481 146 1HD ARG 19 2HD ARG 19 -0.808 -5.907 3.117 147 2HD ARG 19 1HD ARG 19 -1.642 -4.356 3.194 148 HE ARG 19 HE ARG 19 -2.894 -5.183 4.906 149 1HH1 ARG 19 1HH1 ARG 19 -1.583 -7.873 3.112 150 2HH1 ARG 19 2HH1 ARG 19 -2.194 -9.065 4.208 151 1HH2 ARG 19 1HH2 ARG 19 -3.698 -6.750 6.352 152 2HH2 ARG 19 2HH2 ARG 19 -3.394 -8.428 6.048 153 H TRP 20 H TRP 20 -3.488 -2.125 0.631 154 HA TRP 20 HA TRP 20 -3.279 -1.071 -2.108 155 1HB TRP 20 2HB TRP 20 -4.396 0.204 0.395 156 2HB TRP 20 1HB TRP 20 -4.187 1.049 -1.136 157 HD1 TRP 20 HD1 TRP 20 -6.285 -1.742 0.468 158 HE1 TRP 20 HE1 TRP 20 -8.412 -2.072 -0.936 159 HE3 TRP 20 HE3 TRP 20 -5.173 1.372 -3.430 160 HZ2 TRP 20 HZ2 TRP 20 -9.478 -1.139 -3.369 161 HZ3 TRP 20 HZ3 TRP 20 -6.804 1.594 -5.260 162 HH2 TRP 20 HH2 TRP 20 -8.912 0.363 -5.229 163 H TYR 21 H TYR 21 -1.895 0.698 -2.509 164 HA TYR 21 HA TYR 21 0.092 1.361 -0.472 165 1HB TYR 21 2HB TYR 21 1.843 1.045 -2.417 166 2HB TYR 21 1HB TYR 21 1.356 -0.332 -1.434 167 HD1 TYR 21 HD1 TYR 21 -0.764 -1.627 -2.372 168 HD2 TYR 21 HD2 TYR 21 1.838 0.780 -4.719 169 HE1 TYR 21 HE1 TYR 21 -1.509 -2.803 -4.385 170 HE2 TYR 21 HE2 TYR 21 1.097 -0.395 -6.749 171 HH TYR 21 HH TYR 21 -0.675 -1.709 -7.570 172 H PHE 22 H PHE 22 0.614 3.468 -0.536 173 HA PHE 22 HA PHE 22 -0.689 5.192 -2.384 174 1HB PHE 22 2HB PHE 22 0.310 5.534 0.109 175 2HB PHE 22 1HB PHE 22 1.589 6.280 -0.844 176 HD1 PHE 22 HD1 PHE 22 1.007 8.153 -2.405 177 HD2 PHE 22 HD2 PHE 22 -1.731 6.629 0.473 178 HE1 PHE 22 HE1 PHE 22 -0.334 10.207 -2.599 179 HE2 PHE 22 HE2 PHE 22 -3.077 8.680 0.286 180 HZ PHE 22 HZ PHE 22 -2.380 10.472 -1.252 181 H ASN 23 H ASN 23 -0.068 5.843 -4.320 182 HA ASN 23 HA ASN 23 2.783 5.641 -5.035 183 1HB ASN 23 2HB ASN 23 1.391 3.894 -6.135 184 2HB ASN 23 1HB ASN 23 0.434 5.170 -6.882 185 1HD2 ASN 23 1HD2 ASN 23 1.041 5.859 -8.803 186 2HD2 ASN 23 2HD2 ASN 23 2.584 5.592 -9.533 187 HN2 GLY 24 H GLY 24 2.985 7.865 -4.406 188 1HA GLY 24 2HA GLY 24 3.358 10.032 -5.148 189 2HA GLY 24 1HA GLY 24 2.445 9.659 -6.601 190 H ARG 25 H ARG 25 0.132 9.738 -6.505 191 HA ARG 25 HA ARG 25 -0.912 11.313 -4.248 192 1HB ARG 25 2HB ARG 25 -2.343 12.529 -5.911 193 2HB ARG 25 1HB ARG 25 -0.624 12.877 -6.022 194 1HG ARG 25 2HG ARG 25 -0.858 10.829 -7.785 195 2HG ARG 25 1HG ARG 25 -2.425 11.619 -7.960 196 1HD ARG 25 2HD ARG 25 -1.513 13.264 -9.142 197 2HD ARG 25 1HD ARG 25 -0.353 13.596 -7.856 198 HE ARG 25 HE ARG 25 0.114 12.115 -10.277 199 1HH1 ARG 25 1HH1 ARG 25 1.180 12.660 -6.999 200 2HH1 ARG 25 2HH1 ARG 25 2.795 12.113 -7.301 201 1HH2 ARG 25 1HH2 ARG 25 2.236 11.397 -10.676 202 2HH2 ARG 25 2HH2 ARG 25 3.395 11.398 -9.389 203 H THR 26 H THR 26 -1.426 8.801 -6.593 204 HA THR 26 HA THR 26 -4.126 8.346 -5.518 205 HB THR 26 HB THR 26 -2.923 7.286 -8.082 206 HG1 THR 26 HG1 THR 26 -4.258 8.825 -9.075 207 1HG2 THR 26 1HG2 THR 26 -4.612 5.801 -7.724 208 2HG2 THR 26 2HG2 THR 26 -5.492 7.086 -8.553 209 3HG2 THR 26 3HG2 THR 26 -5.577 6.950 -6.796 210 H CYS 27 H CYS 27 -4.773 6.129 -5.131 211 HA CYS 27 HA CYS 27 -2.599 4.596 -3.960 212 1HB CYS 27 2HB CYS 27 -5.588 4.148 -3.842 213 2HB CYS 27 1HB CYS 27 -4.382 3.254 -2.925 214 H ALA 28 H ALA 28 -2.687 2.189 -4.187 215 HA ALA 28 HA ALA 28 -3.589 1.309 -6.832 216 1HB ALA 28 1HB ALA 28 -0.782 1.242 -5.799 217 2HB ALA 28 2HB ALA 28 -1.382 1.804 -7.358 218 3HB ALA 28 3HB ALA 28 -1.340 0.078 -7.001 219 H LYS 29 H LYS 29 -3.060 -1.222 -6.984 220 HA LYS 29 HA LYS 29 -3.431 -2.515 -4.401 221 1HB LYS 29 2HB LYS 29 -5.465 -3.659 -5.043 222 2HB LYS 29 1HB LYS 29 -5.706 -1.920 -5.137 223 1HG LYS 29 2HG LYS 29 -5.985 -1.939 -7.380 224 2HG LYS 29 1HG LYS 29 -4.854 -3.272 -7.622 225 1HD LYS 29 2HD LYS 29 -6.468 -4.830 -7.468 226 2HD LYS 29 1HD LYS 29 -7.283 -3.993 -6.144 227 1HE LYS 29 2HE LYS 29 -7.496 -3.420 -9.094 228 2HE LYS 29 1HE LYS 29 -8.762 -4.011 -8.020 229 1HZ LYS 29 1HZ LYS 29 -9.321 -1.854 -7.945 230 2HZ LYS 29 2HZ LYS 29 -7.792 -1.313 -8.423 231 3HZ LYS 29 3HZ LYS 29 -8.072 -1.733 -6.809 232 H PHE 30 H PHE 30 -2.847 -4.649 -4.338 233 HA PHE 30 HA PHE 30 -2.341 -6.178 -6.700 234 1HB PHE 30 2HB PHE 30 0.121 -6.490 -6.175 235 2HB PHE 30 1HB PHE 30 -0.329 -4.951 -6.894 236 HD1 PHE 30 HD1 PHE 30 -1.195 -5.298 -3.406 237 HD2 PHE 30 HD2 PHE 30 1.922 -4.216 -6.096 238 HE1 PHE 30 HE1 PHE 30 -0.033 -4.132 -1.584 239 HE2 PHE 30 HE2 PHE 30 3.086 -3.043 -4.275 240 HZ PHE 30 HZ PHE 30 2.111 -3.000 -2.017 241 H ILE 31 H ILE 31 -1.026 -8.267 -6.000 242 HA ILE 31 HA ILE 31 -2.465 -9.308 -3.694 243 HB ILE 31 HB ILE 31 -0.655 -10.744 -5.640 244 1HG1 ILE 31 2HG1 ILE 31 -2.657 -9.774 -6.718 245 2HG1 ILE 31 1HG1 ILE 31 -2.697 -11.535 -6.710 246 1HG2 ILE 31 1HG2 ILE 31 -2.430 -11.692 -3.414 247 2HG2 ILE 31 2HG2 ILE 31 -0.733 -12.069 -3.715 248 3HG2 ILE 31 3HG2 ILE 31 -1.985 -12.747 -4.756 249 1HD1 ILE 31 1HD1 ILE 31 -4.280 -11.545 -4.915 250 2HD1 ILE 31 2HD1 ILE 31 -4.866 -10.474 -6.187 251 3HD1 ILE 31 3HD1 ILE 31 -4.143 -9.797 -4.728 252 H TYR 32 H TYR 32 -1.505 -8.768 -1.820 253 HA TYR 32 HA TYR 32 1.384 -8.733 -1.596 254 1HB TYR 32 2HB TYR 32 0.155 -6.924 -0.558 255 2HB TYR 32 1HB TYR 32 -0.803 -8.063 0.380 256 HD1 TYR 32 HD2 TYR 32 2.589 -6.650 -0.047 257 HD2 TYR 32 HD1 TYR 32 -0.004 -8.926 2.440 258 HE1 TYR 32 HE2 TYR 32 4.231 -6.515 1.777 259 HE2 TYR 32 HE1 TYR 32 1.630 -8.795 4.273 260 HH TYR 32 HH TYR 32 4.158 -8.456 4.466 261 HN2 GLY 33 H GLY 33 2.363 -10.614 -1.346 262 1HA GLY 33 2HA GLY 33 1.089 -12.809 0.058 263 2HA GLY 33 1HA GLY 33 2.652 -12.846 -0.747 264 HN2 GLY 34 H GLY 34 3.532 -10.394 0.691 265 1HA GLY 34 2HA GLY 34 3.622 -10.064 3.234 266 2HA GLY 34 1HA GLY 34 4.168 -11.732 3.238 267 H CYS 35 H CYS 35 5.453 -10.454 0.487 268 HA CYS 35 HA CYS 35 7.930 -9.739 1.908 269 1HB CYS 35 2HB CYS 35 7.544 -10.958 -0.829 270 2HB CYS 35 1HB CYS 35 9.091 -10.386 -0.223 271 HN2 GLY 36 H GLY 36 7.901 -7.572 2.090 272 1HA GLY 36 2HA GLY 36 8.757 -5.640 0.780 273 2HA GLY 36 1HA GLY 36 7.513 -6.023 -0.399 274 HN2 GLY 37 H GLY 37 8.178 -4.661 2.746 275 1HA GLY 37 2HA GLY 37 5.755 -3.075 2.556 276 2HA GLY 37 1HA GLY 37 5.814 -4.183 3.919 277 H ASN 38 H ASN 38 6.425 -1.080 2.979 278 HA ASN 38 HA ASN 38 8.466 -0.722 5.068 279 1HB ASN 38 2HB ASN 38 8.661 1.596 3.735 280 2HB ASN 38 1HB ASN 38 9.588 0.166 3.297 281 1HD2 ASN 38 1HD2 ASN 38 9.775 0.551 1.154 282 2HD2 ASN 38 2HD2 ASN 38 8.439 0.594 0.059 283 HN2 GLY 39 H GLY 39 6.550 1.851 3.603 284 1HA GLY 39 2HA GLY 39 5.031 2.100 6.106 285 2HA GLY 39 1HA GLY 39 5.980 3.465 5.548 286 H ASN 40 H ASN 40 4.874 1.976 2.809 287 HA ASN 40 HA ASN 40 2.554 3.783 2.720 288 1HB ASN 40 2HB ASN 40 2.867 4.008 0.369 289 2HB ASN 40 1HB ASN 40 4.447 4.212 1.113 290 1HD2 ASN 40 1HD2 ASN 40 2.680 2.609 -1.227 291 2HD2 ASN 40 2HD2 ASN 40 3.841 1.405 -1.653 292 H LYS 41 H LYS 41 3.432 0.505 2.752 293 HA LYS 41 HA LYS 41 1.229 -0.487 1.201 294 1HB LYS 41 2HB LYS 41 3.590 -1.565 2.183 295 2HB LYS 41 1HB LYS 41 2.348 -2.359 3.140 296 1HG LYS 41 2HG LYS 41 2.009 -2.218 0.187 297 2HG LYS 41 1HG LYS 41 3.158 -3.373 0.867 298 1HD LYS 41 2HD LYS 41 0.253 -3.156 1.654 299 2HD LYS 41 1HD LYS 41 0.907 -4.339 0.517 300 1HE LYS 41 2HE LYS 41 1.019 -5.621 2.376 301 2HE LYS 41 1HE LYS 41 2.546 -4.767 2.593 302 1HZ LYS 41 1HZ LYS 41 0.474 -3.228 3.704 303 2HZ LYS 41 2HZ LYS 41 1.791 -3.944 4.487 304 3HZ LYS 41 3HZ LYS 41 0.348 -4.805 4.304 305 H PHE 42 H PHE 42 -0.798 -0.219 1.883 306 HA PHE 42 HA PHE 42 -1.375 -0.662 4.738 307 1HB PHE 42 2HB PHE 42 -2.871 1.146 2.829 308 2HB PHE 42 1HB PHE 42 -3.233 0.912 4.536 309 HD1 PHE 42 HD2 PHE 42 -1.233 1.425 6.165 310 HD2 PHE 42 HD1 PHE 42 -1.589 2.947 2.206 311 HE1 PHE 42 HE2 PHE 42 0.291 3.269 6.741 312 HE2 PHE 42 HE1 PHE 42 -0.064 4.792 2.774 313 HZ PHE 42 HZ PHE 42 0.878 4.955 5.045 314 HA PRO 43 HA PRO 43 -3.999 -4.041 3.682 315 1HB PRO 43 2HB PRO 43 -5.967 -2.924 5.602 316 2HB PRO 43 1HB PRO 43 -5.205 -4.517 5.570 317 1HG PRO 43 2HG PRO 43 -4.470 -2.682 7.360 318 2HG PRO 43 1HG PRO 43 -3.278 -3.762 6.612 319 1HD PRO 43 2HD PRO 43 -3.864 -0.887 6.030 320 2HD PRO 43 1HD PRO 43 -2.306 -1.737 6.072 321 H THR 44 H THR 44 -6.128 -1.275 4.443 322 HA THR 44 HA THR 44 -7.580 -1.822 1.943 323 HB THR 44 HB THR 44 -9.391 -0.401 3.108 324 HG1 THR 44 HG1 THR 44 -9.211 -0.140 5.253 325 1HG2 THR 44 1HG2 THR 44 -8.636 -3.131 4.098 326 2HG2 THR 44 2HG2 THR 44 -9.830 -2.705 2.872 327 3HG2 THR 44 3HG2 THR 44 -10.125 -2.308 4.565 328 H GLN 45 H GLN 45 -8.684 0.183 1.023 329 HA GLN 45 HA GLN 45 -6.659 2.088 0.380 330 1HB GLN 45 2HB GLN 45 -8.392 3.142 -1.011 331 2HB GLN 45 1HB GLN 45 -8.307 1.407 -1.280 332 1HG GLN 45 2HG GLN 45 -10.204 1.383 0.552 333 2HG GLN 45 1HG GLN 45 -10.444 3.033 -0.021 334 1HE2 GLN 45 1HE2 GLN 45 -10.899 3.346 -2.271 335 2HE2 GLN 45 2HE2 GLN 45 -11.684 2.101 -3.177 336 H GLU 46 H GLU 46 -9.361 2.008 2.586 337 HA GLU 46 HA GLU 46 -9.771 4.701 3.076 338 1HB GLU 46 2HB GLU 46 -10.781 2.420 4.113 339 2HB GLU 46 1HB GLU 46 -9.762 2.932 5.452 340 1HG GLU 46 2HG GLU 46 -11.407 5.071 4.335 341 2HG GLU 46 1HG GLU 46 -12.331 3.732 5.016 342 H ALA 47 H ALA 47 -7.287 2.549 4.353 343 HA ALA 47 HA ALA 47 -6.179 4.541 6.107 344 1HB ALA 47 1HB ALA 47 -5.677 2.509 6.979 345 2HB ALA 47 2HB ALA 47 -4.228 2.721 5.997 346 3HB ALA 47 3HB ALA 47 -5.563 1.734 5.399 347 H CYS 48 H CYS 48 -5.698 3.511 2.822 348 HA CYS 48 HA CYS 48 -3.112 4.436 2.345 349 1HB CYS 48 2HB CYS 48 -4.356 3.073 0.736 350 2HB CYS 48 1HB CYS 48 -5.485 4.395 0.466 351 H MET 49 H MET 49 -6.212 6.145 1.935 352 HA MET 49 HA MET 49 -4.836 8.638 1.409 353 1HB MET 49 2HB MET 49 -7.798 8.151 1.752 354 2HB MET 49 1HB MET 49 -7.040 9.573 1.049 355 1HG MET 49 2HG MET 49 -6.657 8.563 -0.934 356 2HG MET 49 1HG MET 49 -6.398 6.980 -0.205 357 1HE MET 49 1HE MET 49 -9.013 9.558 0.230 358 2HE MET 49 2HE MET 49 -10.549 8.726 -0.013 359 3HE MET 49 3HE MET 49 -9.690 9.412 -1.392 360 H LYS 50 H LYS 50 -6.563 7.101 4.038 361 HA LYS 50 HA LYS 50 -6.828 9.433 5.646 362 1HB LYS 50 2HB LYS 50 -8.222 7.389 5.897 363 2HB LYS 50 1HB LYS 50 -6.814 6.541 6.519 364 1HG LYS 50 2HG LYS 50 -6.713 8.294 8.333 365 2HG LYS 50 1HG LYS 50 -8.299 8.831 7.774 366 1HD LYS 50 2HD LYS 50 -9.079 7.330 9.256 367 2HD LYS 50 1HD LYS 50 -8.693 6.151 8.003 368 1HE LYS 50 2HE LYS 50 -6.330 6.178 9.113 369 2HE LYS 50 1HE LYS 50 -7.203 6.826 10.502 370 1HZ LYS 50 1HZ LYS 50 -7.459 4.654 10.969 371 2HZ LYS 50 2HZ LYS 50 -7.244 4.154 9.367 372 3HZ LYS 50 3HZ LYS 50 -8.743 4.753 9.870 373 H ARG 51 H ARG 51 -4.118 7.604 4.824 374 HA ARG 51 HA ARG 51 -2.735 8.354 7.307 375 1HB ARG 51 2HB ARG 51 -2.744 5.939 6.639 376 2HB ARG 51 1HB ARG 51 -1.810 6.382 5.217 377 1HG ARG 51 2HG ARG 51 -0.263 5.586 6.798 378 2HG ARG 51 1HG ARG 51 -0.091 7.343 6.791 379 1HD ARG 51 2HD ARG 51 -0.073 6.543 9.067 380 2HD ARG 51 1HD ARG 51 -1.551 7.459 8.778 381 HE ARG 51 HE ARG 51 -2.308 4.912 8.293 382 1HH1 ARG 51 1HH1 ARG 51 -0.668 6.434 10.971 383 2HH1 ARG 51 2HH1 ARG 51 -1.300 5.332 12.147 384 1HH2 ARG 51 1HH2 ARG 51 -3.142 3.461 9.838 385 2HH2 ARG 51 2HH2 ARG 51 -2.704 3.643 11.505 386 H CYS 52 H CYS 52 -2.648 8.691 3.806 387 HA CYS 52 HA CYS 52 -0.368 10.533 4.125 388 1HB CYS 52 2HB CYS 52 -0.560 8.270 2.490 389 2HB CYS 52 1HB CYS 52 -0.735 9.640 1.399 390 H ALA 53 H ALA 53 -3.569 10.108 2.807 391 HA ALA 53 HA ALA 53 -3.459 12.594 1.320 392 1HB ALA 53 1HB ALA 53 -5.996 11.098 1.818 393 2HB ALA 53 2HB ALA 53 -4.785 10.441 0.715 394 3HB ALA 53 3HB ALA 53 -5.496 12.024 0.404 395 H LYS 54 H LYS 54 -4.557 11.455 4.418 396 HA LYS 54 HA LYS 54 -5.764 14.082 4.952 397 1HB LYS 54 2HB LYS 54 -6.487 11.364 5.707 398 2HB LYS 54 1HB LYS 54 -6.404 12.438 7.097 399 1HG LYS 54 2HG LYS 54 -8.203 13.642 6.449 400 2HG LYS 54 1HG LYS 54 -7.848 13.454 4.731 401 1HD LYS 54 2HD LYS 54 -9.486 11.943 4.663 402 2HD LYS 54 1HD LYS 54 -8.436 10.880 5.602 403 1HE LYS 54 2HE LYS 54 -9.461 12.417 7.570 404 2HE LYS 54 1HE LYS 54 -10.805 12.429 6.429 405 1HZ LYS 54 1HZ LYS 54 -11.312 10.538 7.523 406 2HZ LYS 54 2HZ LYS 54 -9.718 10.229 7.995 407 3HZ LYS 54 3HZ LYS 54 -10.224 9.850 6.426 408 H ALA 55 H ALA 55 -4.091 11.556 6.836 409 HA ALA 55 HA ALA 55 -3.147 13.271 8.834 410 1HB ALA 55 1HB ALA 55 -1.523 11.433 9.328 411 2HB ALA 55 2HB ALA 55 -2.107 10.607 7.885 412 3HB ALA 55 3HB ALA 55 -3.207 10.917 9.229 Start of MODEL 7 1 1H ILE 1 1H ILE 1 4.516 11.695 6.113 2 2H ILE 1 2H ILE 1 6.202 11.397 6.007 3 3H ILE 1 3H ILE 1 5.087 10.292 5.314 4 HA ILE 1 HA ILE 1 4.335 12.063 3.840 5 HB ILE 1 HB ILE 1 5.229 13.904 5.299 6 1HG1 ILE 1 2HG1 ILE 1 4.522 14.179 2.898 7 2HG1 ILE 1 1HG1 ILE 1 5.664 15.385 3.476 8 1HG2 ILE 1 1HG2 ILE 1 7.542 14.555 5.131 9 2HG2 ILE 1 2HG2 ILE 1 7.876 13.214 4.036 10 3HG2 ILE 1 3HG2 ILE 1 7.441 12.895 5.715 11 1HD1 ILE 1 1HD1 ILE 1 6.745 14.947 1.574 12 2HD1 ILE 1 2HD1 ILE 1 5.935 13.396 1.356 13 3HD1 ILE 1 3HD1 ILE 1 7.334 13.517 2.421 14 H ASP 2 H ASP 2 7.640 11.082 4.677 15 HA ASP 2 HA ASP 2 8.500 10.837 1.972 16 1HB ASP 2 2HB ASP 2 10.427 9.572 3.005 17 2HB ASP 2 1HB ASP 2 10.179 11.199 3.632 18 H THR 3 H THR 3 6.871 8.746 4.214 19 HA THR 3 HA THR 3 7.457 6.247 3.122 20 HB THR 3 HB THR 3 4.859 7.146 4.381 21 HG1 THR 3 HG1 THR 3 6.012 7.300 6.108 22 1HG2 THR 3 1HG2 THR 3 4.404 5.032 3.527 23 2HG2 THR 3 2HG2 THR 3 4.880 4.732 5.199 24 3HG2 THR 3 3HG2 THR 3 6.024 4.435 3.890 25 H CYS 4 H CYS 4 5.101 8.676 2.159 26 HA CYS 4 HA CYS 4 3.723 7.055 0.282 27 1HB CYS 4 2HB CYS 4 3.965 10.063 0.199 28 2HB CYS 4 1HB CYS 4 2.665 9.071 -0.450 29 H ARG 5 H ARG 5 6.818 8.428 0.226 30 HA ARG 5 HA ARG 5 6.925 8.694 -2.667 31 1HB ARG 5 2HB ARG 5 9.182 8.987 -0.682 32 2HB ARG 5 1HB ARG 5 9.148 9.555 -2.346 33 1HG ARG 5 2HG ARG 5 7.384 11.143 -1.769 34 2HG ARG 5 1HG ARG 5 7.422 10.574 -0.098 35 1HD ARG 5 2HD ARG 5 9.632 11.959 -1.609 36 2HD ARG 5 1HD ARG 5 8.703 12.600 -0.255 37 HE ARG 5 HE ARG 5 9.895 10.287 0.661 38 1HH1 ARG 5 1HH1 ARG 5 10.952 13.353 -0.629 39 2HH1 ARG 5 2HH1 ARG 5 12.442 13.353 0.254 40 1HH2 ARG 5 1HH2 ARG 5 11.855 10.286 1.824 41 2HH2 ARG 5 2HH2 ARG 5 12.954 11.612 1.647 42 H LEU 6 H LEU 6 7.922 6.477 -0.154 43 HA LEU 6 HA LEU 6 9.500 4.901 -2.023 44 1HB LEU 6 2HB LEU 6 10.176 3.593 -0.142 45 2HB LEU 6 1HB LEU 6 10.288 5.287 0.295 46 HG LEU 6 HG LEU 6 7.785 4.689 1.189 47 1HD1 LEU 6 1HD1 LEU 6 8.746 2.454 2.526 48 2HD1 LEU 6 2HD1 LEU 6 9.165 2.175 0.837 49 3HD1 LEU 6 3HD1 LEU 6 7.490 2.490 1.289 50 1HD2 LEU 6 1HD2 LEU 6 9.443 5.899 2.449 51 2HD2 LEU 6 2HD2 LEU 6 10.411 4.438 2.647 52 3HD2 LEU 6 3HD2 LEU 6 8.836 4.562 3.427 53 HA PRO 7 HA PRO 7 5.785 2.591 -3.117 54 1HB PRO 7 2HB PRO 7 7.821 0.839 -4.382 55 2HB PRO 7 1HB PRO 7 6.377 1.577 -5.085 56 1HG PRO 7 2HG PRO 7 8.806 2.513 -5.659 57 2HG PRO 7 1HG PRO 7 7.429 3.609 -5.447 58 1HD PRO 7 2HD PRO 7 9.671 2.991 -3.566 59 2HD PRO 7 1HD PRO 7 8.868 4.540 -3.893 60 H SER 8 H SER 8 4.931 0.504 -2.649 61 HA SER 8 HA SER 8 6.422 -0.911 -0.543 62 1HB SER 8 2HB SER 8 3.664 -0.023 -0.754 63 2HB SER 8 1HB SER 8 3.763 -1.748 -0.401 64 HG SER 8 HG SER 8 4.532 -1.313 1.516 65 H ASP 9 H ASP 9 6.947 -2.992 -0.805 66 HA ASP 9 HA ASP 9 6.217 -4.282 -3.311 67 1HB ASP 9 2HB ASP 9 8.335 -4.681 -1.254 68 2HB ASP 9 1HB ASP 9 7.835 -6.085 -2.191 69 H ARG 10 H ARG 10 5.077 -6.181 -3.477 70 HA ARG 10 HA ARG 10 3.345 -6.780 -1.235 71 1HB ARG 10 2HB ARG 10 2.189 -8.254 -2.872 72 2HB ARG 10 1HB ARG 10 2.286 -6.573 -3.371 73 1HG ARG 10 2HG ARG 10 4.547 -7.696 -4.474 74 2HG ARG 10 1HG ARG 10 3.337 -8.969 -4.634 75 1HD ARG 10 2HD ARG 10 2.460 -6.241 -5.346 76 2HD ARG 10 1HD ARG 10 3.656 -6.977 -6.415 77 HE ARG 10 HE ARG 10 1.338 -8.603 -5.773 78 1HH1 ARG 10 1HH1 ARG 10 2.835 -6.399 -8.034 79 2HH1 ARG 10 2HH1 ARG 10 1.859 -6.910 -9.369 80 1HH2 ARG 10 1HH2 ARG 10 0.054 -9.270 -7.533 81 2HH2 ARG 10 2HH2 ARG 10 0.281 -8.536 -9.085 82 HN2 GLY 11 H GLY 11 6.263 -8.028 -2.422 83 1HA GLY 11 2HA GLY 11 7.454 -9.925 -1.927 84 2HA GLY 11 1HA GLY 11 6.469 -9.994 -0.477 85 H ARG 12 H ARG 12 7.428 -11.794 -2.981 86 HA ARG 12 HA ARG 12 4.908 -13.054 -3.628 87 1HB ARG 12 2HB ARG 12 7.274 -12.819 -4.968 88 2HB ARG 12 1HB ARG 12 7.394 -14.460 -4.348 89 1HG ARG 12 2HG ARG 12 5.288 -15.038 -5.409 90 2HG ARG 12 1HG ARG 12 5.111 -13.382 -5.990 91 1HD ARG 12 2HD ARG 12 7.651 -14.196 -6.827 92 2HD ARG 12 1HD ARG 12 6.596 -15.577 -7.123 93 HE ARG 12 HE ARG 12 5.514 -13.081 -8.047 94 1HH1 ARG 12 1HH1 ARG 12 7.579 -15.775 -8.857 95 2HH1 ARG 12 2HH1 ARG 12 7.393 -15.565 -10.566 96 1HH2 ARG 12 1HH2 ARG 12 5.268 -12.803 -10.292 97 2HH2 ARG 12 2HH2 ARG 12 6.082 -13.877 -11.381 98 H CYS 13 H CYS 13 6.773 -13.170 -0.944 99 HA CYS 13 HA CYS 13 7.188 -15.870 -0.423 100 1HB CYS 13 2HB CYS 13 6.966 -15.153 2.036 101 2HB CYS 13 1HB CYS 13 8.229 -14.402 1.072 102 H LYS 14 H LYS 14 4.454 -13.922 0.837 103 HA LYS 14 HA LYS 14 2.898 -16.413 0.958 104 1HB LYS 14 2HB LYS 14 3.024 -14.011 2.702 105 2HB LYS 14 1HB LYS 14 1.457 -14.786 2.513 106 1HG LYS 14 2HG LYS 14 3.951 -16.242 3.356 107 2HG LYS 14 1HG LYS 14 2.784 -15.549 4.483 108 1HD LYS 14 2HD LYS 14 1.088 -17.029 3.808 109 2HD LYS 14 1HD LYS 14 1.956 -17.485 2.341 110 1HE LYS 14 2HE LYS 14 3.060 -18.050 5.075 111 2HE LYS 14 1HE LYS 14 1.933 -19.152 4.285 112 1HZ LYS 14 1HZ LYS 14 4.570 -19.300 4.004 113 2HZ LYS 14 2HZ LYS 14 4.206 -18.302 2.687 114 3HZ LYS 14 3HZ LYS 14 3.483 -19.826 2.819 115 H ALA 15 H ALA 15 3.194 -14.867 -1.450 116 HA ALA 15 HA ALA 15 1.230 -13.049 -2.043 117 1HB ALA 15 1HB ALA 15 1.385 -13.790 -4.357 118 2HB ALA 15 2HB ALA 15 2.187 -15.273 -3.838 119 3HB ALA 15 3HB ALA 15 2.981 -13.715 -3.611 120 H SER 16 H SER 16 -0.761 -13.335 -1.126 121 HA SER 16 HA SER 16 -2.605 -15.013 -2.476 122 1HB SER 16 2HB SER 16 -1.509 -15.946 0.138 123 2HB SER 16 1HB SER 16 -3.229 -16.185 -0.175 124 HG SER 16 HG SER 16 -1.211 -16.972 -1.999 125 H PHE 17 H PHE 17 -2.319 -12.237 -1.743 126 HA PHE 17 HA PHE 17 -4.965 -11.814 -0.674 127 1HB PHE 17 2HB PHE 17 -2.627 -10.567 0.779 128 2HB PHE 17 1HB PHE 17 -4.333 -10.419 1.188 129 HD1 PHE 17 HD2 PHE 17 -5.526 -12.257 2.239 130 HD2 PHE 17 HD1 PHE 17 -1.376 -12.542 1.336 131 HE1 PHE 17 HE2 PHE 17 -5.340 -14.211 3.724 132 HE2 PHE 17 HE1 PHE 17 -1.183 -14.497 2.819 133 HZ PHE 17 HZ PHE 17 -3.167 -15.332 4.015 134 H GLU 18 H GLU 18 -5.332 -9.331 -0.460 135 HA GLU 18 HA GLU 18 -3.948 -7.970 -2.678 136 1HB GLU 18 2HB GLU 18 -6.897 -7.822 -2.020 137 2HB GLU 18 1HB GLU 18 -6.084 -6.910 -3.285 138 1HG GLU 18 2HG GLU 18 -5.783 -8.776 -4.618 139 2HG GLU 18 1HG GLU 18 -5.972 -9.895 -3.268 140 H ARG 19 H ARG 19 -3.744 -5.681 -2.487 141 HA ARG 19 HA ARG 19 -4.651 -4.386 -0.068 142 1HB ARG 19 2HB ARG 19 -1.757 -5.058 -0.519 143 2HB ARG 19 1HB ARG 19 -2.228 -3.674 0.458 144 1HG ARG 19 2HG ARG 19 -3.760 -5.585 1.576 145 2HG ARG 19 1HG ARG 19 -2.380 -6.552 1.048 146 1HD ARG 19 2HD ARG 19 -0.866 -5.071 2.248 147 2HD ARG 19 1HD ARG 19 -2.221 -4.055 2.735 148 HE ARG 19 HE ARG 19 -2.519 -6.788 3.545 149 1HH1 ARG 19 1HH1 ARG 19 -1.084 -3.721 4.385 150 2HH1 ARG 19 2HH1 ARG 19 -1.010 -4.077 6.079 151 1HH2 ARG 19 1HH2 ARG 19 -2.424 -7.259 5.771 152 2HH2 ARG 19 2HH2 ARG 19 -1.771 -6.086 6.865 153 H TRP 20 H TRP 20 -3.778 -2.086 0.039 154 HA TRP 20 HA TRP 20 -3.643 -0.991 -2.693 155 1HB TRP 20 2HB TRP 20 -4.852 0.195 -0.186 156 2HB TRP 20 1HB TRP 20 -4.677 1.063 -1.706 157 HD1 TRP 20 HD1 TRP 20 -6.703 -1.749 -0.085 158 HE1 TRP 20 HE1 TRP 20 -8.776 -2.210 -1.532 159 HE3 TRP 20 HE3 TRP 20 -5.576 1.226 -4.087 160 HZ2 TRP 20 HZ2 TRP 20 -9.799 -1.422 -4.032 161 HZ3 TRP 20 HZ3 TRP 20 -7.160 1.315 -5.969 162 HH2 TRP 20 HH2 TRP 20 -9.228 0.017 -5.942 163 H TYR 21 H TYR 21 -2.252 0.739 -3.104 164 HA TYR 21 HA TYR 21 -0.368 1.500 -0.989 165 1HB TYR 21 2HB TYR 21 1.446 1.266 -2.881 166 2HB TYR 21 1HB TYR 21 0.967 -0.147 -1.945 167 HD1 TYR 21 HD1 TYR 21 -1.142 -1.421 -2.984 168 HD2 TYR 21 HD2 TYR 21 1.572 1.007 -5.179 169 HE1 TYR 21 HE1 TYR 21 -1.811 -2.551 -5.043 170 HE2 TYR 21 HE2 TYR 21 0.909 -0.130 -7.259 171 HH TYR 21 HH TYR 21 -0.194 -2.599 -7.760 172 H PHE 22 H PHE 22 0.504 3.549 -1.216 173 HA PHE 22 HA PHE 22 -0.993 5.380 -2.796 174 1HB PHE 22 2HB PHE 22 0.565 5.581 -0.541 175 2HB PHE 22 1HB PHE 22 1.567 6.370 -1.755 176 HD1 PHE 22 HD2 PHE 22 -1.803 6.389 -0.226 177 HD2 PHE 22 HD1 PHE 22 1.098 8.545 -2.470 178 HE1 PHE 22 HE2 PHE 22 -3.154 8.430 -0.000 179 HE2 PHE 22 HE1 PHE 22 -0.247 10.592 -2.248 180 HZ PHE 22 HZ PHE 22 -2.378 10.538 -1.013 181 H ASN 23 H ASN 23 -0.735 5.805 -4.874 182 HA ASN 23 HA ASN 23 1.859 5.244 -6.128 183 1HB ASN 23 2HB ASN 23 -0.597 4.394 -6.890 184 2HB ASN 23 1HB ASN 23 -0.470 5.873 -7.839 185 1HD2 ASN 23 1HD2 ASN 23 0.246 5.523 -9.797 186 2HD2 ASN 23 2HD2 ASN 23 1.413 4.338 -10.266 187 HN2 GLY 24 H GLY 24 2.130 7.462 -4.789 188 1HA GLY 24 2HA GLY 24 2.833 9.637 -5.043 189 2HA GLY 24 1HA GLY 24 2.609 9.438 -6.773 190 H ARG 25 H ARG 25 0.400 9.669 -7.609 191 HA ARG 25 HA ARG 25 -0.950 11.854 -6.231 192 1HB ARG 25 2HB ARG 25 -0.454 12.239 -8.555 193 2HB ARG 25 1HB ARG 25 -1.224 10.728 -9.020 194 1HG ARG 25 2HG ARG 25 -2.876 12.745 -7.603 195 2HG ARG 25 1HG ARG 25 -2.437 13.058 -9.284 196 1HD ARG 25 2HD ARG 25 -3.259 10.660 -9.721 197 2HD ARG 25 1HD ARG 25 -4.034 10.789 -8.144 198 HE ARG 25 HE ARG 25 -5.605 12.173 -9.067 199 1HH1 ARG 25 1HH1 ARG 25 -2.888 11.944 -11.246 200 2HH1 ARG 25 2HH1 ARG 25 -3.685 12.794 -12.528 201 1HH2 ARG 25 1HH2 ARG 25 -6.655 13.290 -10.751 202 2HH2 ARG 25 2HH2 ARG 25 -5.822 13.559 -12.246 203 H THR 26 H THR 26 -1.755 8.711 -7.686 204 HA THR 26 HA THR 26 -4.173 8.655 -5.998 205 HB THR 26 HB THR 26 -4.745 8.832 -8.369 206 HG1 THR 26 HG1 THR 26 -5.251 6.154 -7.663 207 1HG2 THR 26 1HG2 THR 26 -2.813 7.858 -9.422 208 2HG2 THR 26 2HG2 THR 26 -4.266 6.987 -9.915 209 3HG2 THR 26 3HG2 THR 26 -3.182 6.286 -8.713 210 H CYS 27 H CYS 27 -4.961 6.292 -5.726 211 HA CYS 27 HA CYS 27 -2.712 4.805 -4.641 212 1HB CYS 27 2HB CYS 27 -5.137 5.276 -3.595 213 2HB CYS 27 1HB CYS 27 -5.483 3.754 -4.411 214 H ALA 28 H ALA 28 -2.952 2.321 -4.822 215 HA ALA 28 HA ALA 28 -3.825 1.503 -7.487 216 1HB ALA 28 1HB ALA 28 -1.015 1.451 -6.492 217 2HB ALA 28 2HB ALA 28 -1.641 1.942 -8.065 218 3HB ALA 28 3HB ALA 28 -1.570 0.234 -7.641 219 H LYS 29 H LYS 29 -3.306 -1.016 -7.696 220 HA LYS 29 HA LYS 29 -3.816 -2.345 -5.142 221 1HB LYS 29 2HB LYS 29 -5.769 -1.932 -7.245 222 2HB LYS 29 1HB LYS 29 -5.523 -3.645 -6.930 223 1HG LYS 29 2HG LYS 29 -5.927 -1.803 -4.628 224 2HG LYS 29 1HG LYS 29 -7.316 -2.274 -5.609 225 1HD LYS 29 2HD LYS 29 -6.048 -4.667 -5.203 226 2HD LYS 29 1HD LYS 29 -5.758 -3.827 -3.678 227 1HE LYS 29 2HE LYS 29 -8.300 -3.273 -3.827 228 2HE LYS 29 1HE LYS 29 -8.343 -4.639 -4.939 229 1HZ LYS 29 1HZ LYS 29 -8.609 -4.871 -2.302 230 2HZ LYS 29 2HZ LYS 29 -6.938 -5.097 -2.442 231 3HZ LYS 29 3HZ LYS 29 -8.001 -6.105 -3.289 232 H PHE 30 H PHE 30 -3.042 -4.377 -4.977 233 HA PHE 30 HA PHE 30 -2.231 -5.904 -7.270 234 1HB PHE 30 2HB PHE 30 0.159 -6.082 -6.513 235 2HB PHE 30 1HB PHE 30 -0.287 -4.522 -7.185 236 HD1 PHE 30 HD2 PHE 30 -1.598 -4.935 -3.892 237 HD2 PHE 30 HD1 PHE 30 1.933 -3.929 -6.047 238 HE1 PHE 30 HE2 PHE 30 -0.699 -3.830 -1.894 239 HE2 PHE 30 HE1 PHE 30 2.837 -2.821 -4.047 240 HZ PHE 30 HZ PHE 30 1.521 -2.770 -1.967 241 H ILE 31 H ILE 31 -0.903 -7.923 -6.413 242 HA ILE 31 HA ILE 31 -2.550 -9.035 -4.287 243 HB ILE 31 HB ILE 31 -0.447 -10.377 -5.993 244 1HG1 ILE 31 2HG1 ILE 31 -2.361 -9.505 -7.302 245 2HG1 ILE 31 1HG1 ILE 31 -2.294 -11.265 -7.304 246 1HG2 ILE 31 1HG2 ILE 31 -1.330 -12.459 -5.204 247 2HG2 ILE 31 2HG2 ILE 31 -2.617 -11.636 -4.324 248 3HG2 ILE 31 3HG2 ILE 31 -0.942 -11.462 -3.803 249 1HD1 ILE 31 1HD1 ILE 31 -4.106 -11.425 -5.802 250 2HD1 ILE 31 2HD1 ILE 31 -4.571 -10.243 -7.027 251 3HD1 ILE 31 3HD1 ILE 31 -4.045 -9.701 -5.433 252 H TYR 32 H TYR 32 -1.884 -8.674 -2.273 253 HA TYR 32 HA TYR 32 0.931 -8.300 -1.689 254 1HB TYR 32 2HB TYR 32 -0.854 -6.825 -0.732 255 2HB TYR 32 1HB TYR 32 -1.401 -8.200 0.221 256 HD1 TYR 32 HD2 TYR 32 1.511 -5.978 -0.377 257 HD2 TYR 32 HD1 TYR 32 -0.368 -8.730 2.267 258 HE1 TYR 32 HE2 TYR 32 3.146 -5.407 1.367 259 HE2 TYR 32 HE1 TYR 32 1.262 -8.167 4.020 260 HH TYR 32 HH TYR 32 4.085 -6.328 3.383 261 HN2 GLY 33 H GLY 33 2.233 -9.826 -1.002 262 1HA GLY 33 2HA GLY 33 1.128 -12.398 -0.179 263 2HA GLY 33 1HA GLY 33 2.807 -12.068 -0.581 264 HN2 GLY 34 H GLY 34 3.571 -10.089 1.034 265 1HA GLY 34 2HA GLY 34 2.780 -9.817 3.596 266 2HA GLY 34 1HA GLY 34 3.562 -11.388 3.621 267 H CYS 35 H CYS 35 5.514 -10.409 1.506 268 HA CYS 35 HA CYS 35 7.191 -8.877 3.377 269 1HB CYS 35 2HB CYS 35 9.107 -9.819 1.908 270 2HB CYS 35 1HB CYS 35 8.337 -10.873 3.085 271 HN2 GLY 36 H GLY 36 8.656 -7.299 2.530 272 1HA GLY 36 2HA GLY 36 9.440 -5.913 0.740 273 2HA GLY 36 1HA GLY 36 7.974 -6.298 -0.145 274 HN2 GLY 37 H GLY 37 6.010 -5.752 1.688 275 1HA GLY 37 2HA GLY 37 5.723 -2.978 1.464 276 2HA GLY 37 1HA GLY 37 4.755 -4.016 2.501 277 H ASN 38 H ASN 38 5.248 -1.521 3.366 278 HA ASN 38 HA ASN 38 6.671 -2.004 5.803 279 1HB ASN 38 2HB ASN 38 8.091 0.175 5.351 280 2HB ASN 38 1HB ASN 38 8.668 -1.402 4.821 281 1HD2 ASN 38 1HD2 ASN 38 9.857 -0.767 3.106 282 2HD2 ASN 38 2HD2 ASN 38 9.205 -0.002 1.701 283 HN2 GLY 39 H GLY 39 5.913 0.918 3.900 284 1HA GLY 39 2HA GLY 39 3.886 1.606 5.917 285 2HA GLY 39 1HA GLY 39 5.152 2.763 5.547 286 H ASN 40 H ASN 40 4.692 1.368 2.667 287 HA ASN 40 HA ASN 40 2.866 3.478 1.815 288 1HB ASN 40 2HB ASN 40 4.989 3.240 0.613 289 2HB ASN 40 1HB ASN 40 4.584 1.578 0.202 290 1HD2 ASN 40 1HD2 ASN 40 3.642 4.931 -0.250 291 2HD2 ASN 40 2HD2 ASN 40 2.853 4.698 -1.769 292 H LYS 41 H LYS 41 2.919 0.081 2.348 293 HA LYS 41 HA LYS 41 0.705 -0.514 0.597 294 1HB LYS 41 2HB LYS 41 0.796 -2.757 1.755 295 2HB LYS 41 1HB LYS 41 2.266 -2.279 0.915 296 1HG LYS 41 2HG LYS 41 3.445 -2.502 2.772 297 2HG LYS 41 1HG LYS 41 2.396 -1.363 3.617 298 1HD LYS 41 2HD LYS 41 0.817 -3.220 4.064 299 2HD LYS 41 1HD LYS 41 1.962 -4.334 3.314 300 1HE LYS 41 2HE LYS 41 3.648 -3.381 5.023 301 2HE LYS 41 1HE LYS 41 2.218 -2.799 5.875 302 1HZ LYS 41 1HZ LYS 41 2.838 -4.925 6.741 303 2HZ LYS 41 2HZ LYS 41 2.855 -5.619 5.199 304 3HZ LYS 41 3HZ LYS 41 1.393 -5.110 5.881 305 H PHE 42 H PHE 42 -1.325 -1.420 1.386 306 HA PHE 42 HA PHE 42 -2.115 -0.888 4.108 307 1HB PHE 42 2HB PHE 42 -3.467 0.648 1.880 308 2HB PHE 42 1HB PHE 42 -3.866 0.712 3.594 309 HD1 PHE 42 HD2 PHE 42 -2.152 1.653 5.191 310 HD2 PHE 42 HD1 PHE 42 -1.836 2.049 0.967 311 HE1 PHE 42 HE2 PHE 42 -0.573 3.516 5.489 312 HE2 PHE 42 HE1 PHE 42 -0.255 3.912 1.254 313 HZ PHE 42 HZ PHE 42 0.378 4.649 3.518 314 HA PRO 43 HA PRO 43 -4.832 -4.234 3.125 315 1HB PRO 43 2HB PRO 43 -6.674 -3.978 5.090 316 2HB PRO 43 1HB PRO 43 -5.025 -4.535 5.401 317 1HG PRO 43 2HG PRO 43 -6.206 -1.809 5.780 318 2HG PRO 43 1HG PRO 43 -5.129 -2.720 6.854 319 1HD PRO 43 2HD PRO 43 -4.243 -0.751 5.210 320 2HD PRO 43 1HD PRO 43 -3.247 -2.151 5.657 321 H THR 44 H THR 44 -6.267 -1.043 3.650 322 HA THR 44 HA THR 44 -8.236 -1.662 1.556 323 HB THR 44 HB THR 44 -9.773 -0.065 2.947 324 HG1 THR 44 HG1 THR 44 -9.384 -0.091 5.116 325 1HG2 THR 44 1HG2 THR 44 -10.541 -2.006 4.381 326 2HG2 THR 44 2HG2 THR 44 -9.255 -2.939 3.618 327 3HG2 THR 44 3HG2 THR 44 -10.547 -2.250 2.634 328 H GLN 45 H GLN 45 -9.322 0.432 0.782 329 HA GLN 45 HA GLN 45 -7.252 2.203 -0.086 330 1HB GLN 45 2HB GLN 45 -9.492 1.437 -1.260 331 2HB GLN 45 1HB GLN 45 -10.143 2.856 -0.451 332 1HG GLN 45 2HG GLN 45 -8.108 4.068 -1.519 333 2HG GLN 45 1HG GLN 45 -8.092 2.682 -2.608 334 1HE2 GLN 45 1HE2 GLN 45 -8.659 3.882 -4.398 335 2HE2 GLN 45 2HE2 GLN 45 -10.238 4.547 -4.615 336 H GLU 46 H GLU 46 -9.757 2.294 2.348 337 HA GLU 46 HA GLU 46 -9.872 5.028 2.858 338 1HB GLU 46 2HB GLU 46 -10.572 4.357 5.167 339 2HB GLU 46 1HB GLU 46 -11.468 3.562 3.879 340 1HG GLU 46 2HG GLU 46 -11.044 1.673 4.968 341 2HG GLU 46 1HG GLU 46 -9.405 1.819 4.333 342 H ALA 47 H ALA 47 -7.568 2.601 3.946 343 HA ALA 47 HA ALA 47 -6.202 4.384 5.737 344 1HB ALA 47 1HB ALA 47 -6.318 1.682 5.522 345 2HB ALA 47 2HB ALA 47 -5.092 2.559 6.436 346 3HB ALA 47 3HB ALA 47 -4.747 2.014 4.795 347 H CYS 48 H CYS 48 -5.961 3.515 2.381 348 HA CYS 48 HA CYS 48 -3.333 4.202 1.808 349 1HB CYS 48 2HB CYS 48 -4.783 3.126 0.173 350 2HB CYS 48 1HB CYS 48 -5.808 4.554 0.102 351 H MET 49 H MET 49 -6.224 6.278 1.781 352 HA MET 49 HA MET 49 -4.568 8.637 1.382 353 1HB MET 49 2HB MET 49 -7.540 8.650 1.826 354 2HB MET 49 1HB MET 49 -6.557 9.821 0.961 355 1HG MET 49 2HG MET 49 -6.951 8.779 -0.943 356 2HG MET 49 1HG MET 49 -6.246 7.296 -0.302 357 1HE MET 49 1HE MET 49 -9.871 8.862 -1.422 358 2HE MET 49 2HE MET 49 -9.183 9.587 0.031 359 3HE MET 49 3HE MET 49 -10.609 8.557 0.151 360 H LYS 50 H LYS 50 -6.267 7.013 3.945 361 HA LYS 50 HA LYS 50 -6.415 9.219 5.730 362 1HB LYS 50 2HB LYS 50 -7.832 7.226 5.966 363 2HB LYS 50 1HB LYS 50 -6.412 6.258 6.332 364 1HG LYS 50 2HG LYS 50 -6.228 8.261 8.180 365 2HG LYS 50 1HG LYS 50 -7.972 8.032 8.044 366 1HD LYS 50 2HD LYS 50 -6.001 5.797 8.508 367 2HD LYS 50 1HD LYS 50 -6.882 6.624 9.795 368 1HE LYS 50 2HE LYS 50 -8.997 5.995 8.507 369 2HE LYS 50 1HE LYS 50 -7.968 4.893 7.594 370 1HZ LYS 50 1HZ LYS 50 -7.771 3.496 9.330 371 2HZ LYS 50 2HZ LYS 50 -9.222 4.209 9.831 372 3HZ LYS 50 3HZ LYS 50 -7.753 4.732 10.487 373 H ARG 51 H ARG 51 -3.862 7.059 4.847 374 HA ARG 51 HA ARG 51 -2.284 7.904 7.172 375 1HB ARG 51 2HB ARG 51 -2.599 5.417 6.277 376 2HB ARG 51 1HB ARG 51 -1.249 5.880 5.251 377 1HG ARG 51 2HG ARG 51 -0.353 4.822 7.173 378 2HG ARG 51 1HG ARG 51 -0.014 6.547 7.320 379 1HD ARG 51 2HD ARG 51 -0.751 5.879 9.450 380 2HD ARG 51 1HD ARG 51 -2.131 6.693 8.715 381 HE ARG 51 HE ARG 51 -3.275 4.702 8.714 382 1HH1 ARG 51 1HH1 ARG 51 0.094 4.090 9.396 383 2HH1 ARG 51 2HH1 ARG 51 -0.168 2.435 9.834 384 1HH2 ARG 51 1HH2 ARG 51 -3.620 2.527 9.291 385 2HH2 ARG 51 2HH2 ARG 51 -2.275 1.548 9.774 386 H CYS 52 H CYS 52 -2.445 8.132 3.689 387 HA CYS 52 HA CYS 52 0.116 9.583 3.688 388 1HB CYS 52 2HB CYS 52 -1.214 7.819 1.749 389 2HB CYS 52 1HB CYS 52 -0.506 9.269 1.046 390 H ALA 53 H ALA 53 -3.264 9.807 2.678 391 HA ALA 53 HA ALA 53 -2.910 12.468 1.611 392 1HB ALA 53 1HB ALA 53 -4.640 10.570 0.953 393 2HB ALA 53 2HB ALA 53 -5.014 12.282 0.763 394 3HB ALA 53 3HB ALA 53 -5.622 11.396 2.162 395 H LYS 54 H LYS 54 -3.824 11.020 4.626 396 HA LYS 54 HA LYS 54 -5.006 13.444 5.669 397 1HB LYS 54 2HB LYS 54 -5.522 10.920 6.269 398 2HB LYS 54 1HB LYS 54 -4.221 11.162 7.427 399 1HG LYS 54 2HG LYS 54 -6.785 12.729 7.244 400 2HG LYS 54 1HG LYS 54 -6.337 11.564 8.493 401 1HD LYS 54 2HD LYS 54 -4.480 13.010 9.170 402 2HD LYS 54 1HD LYS 54 -4.929 14.173 7.921 403 1HE LYS 54 2HE LYS 54 -6.955 14.705 9.004 404 2HE LYS 54 1HE LYS 54 -6.841 13.307 10.072 405 1HZ LYS 54 1HZ LYS 54 -5.545 15.905 10.271 406 2HZ LYS 54 2HZ LYS 54 -4.611 14.571 10.727 407 3HZ LYS 54 3HZ LYS 54 -6.090 14.869 11.493 408 H ALA 55 H ALA 55 -2.260 11.417 6.714 409 HA ALA 55 HA ALA 55 -1.128 13.566 8.245 410 1HB ALA 55 1HB ALA 55 -0.669 11.536 9.224 411 2HB ALA 55 2HB ALA 55 0.833 11.839 8.350 412 3HB ALA 55 3HB ALA 55 -0.368 10.738 7.680 Start of MODEL 8 1 1H ILE 1 1H ILE 1 6.941 13.107 6.929 2 2H ILE 1 2H ILE 1 7.665 13.876 5.576 3 3H ILE 1 3H ILE 1 8.231 12.342 6.099 4 HA ILE 1 HA ILE 1 6.016 11.447 5.629 5 HB ILE 1 HB ILE 1 4.806 13.580 5.658 6 1HG1 ILE 1 2HG1 ILE 1 3.589 13.252 3.413 7 2HG1 ILE 1 1HG1 ILE 1 4.732 11.943 3.131 8 1HG2 ILE 1 1HG2 ILE 1 6.839 14.340 3.770 9 2HG2 ILE 1 2HG2 ILE 1 5.694 15.348 4.655 10 3HG2 ILE 1 3HG2 ILE 1 5.230 14.638 3.109 11 1HD1 ILE 1 1HD1 ILE 1 2.986 12.092 5.567 12 2HD1 ILE 1 2HD1 ILE 1 3.918 10.716 4.976 13 3HD1 ILE 1 3HD1 ILE 1 2.508 11.277 4.078 14 H ASP 2 H ASP 2 8.064 10.381 4.855 15 HA ASP 2 HA ASP 2 8.500 10.871 1.987 16 1HB ASP 2 2HB ASP 2 10.317 9.314 3.825 17 2HB ASP 2 1HB ASP 2 10.677 9.919 2.211 18 H THR 3 H THR 3 7.276 8.628 4.273 19 HA THR 3 HA THR 3 7.668 6.181 3.028 20 HB THR 3 HB THR 3 5.123 6.980 4.438 21 HG1 THR 3 HG1 THR 3 6.206 7.152 6.212 22 1HG2 THR 3 1HG2 THR 3 6.485 4.383 4.853 23 2HG2 THR 3 2HG2 THR 3 5.577 4.620 3.359 24 3HG2 THR 3 3HG2 THR 3 4.771 4.790 4.919 25 H CYS 4 H CYS 4 5.257 8.670 2.382 26 HA CYS 4 HA CYS 4 3.698 7.151 0.574 27 1HB CYS 4 2HB CYS 4 3.908 9.999 1.355 28 2HB CYS 4 1HB CYS 4 3.217 9.681 -0.233 29 H ARG 5 H ARG 5 6.807 8.461 0.268 30 HA ARG 5 HA ARG 5 6.641 8.830 -2.613 31 1HB ARG 5 2HB ARG 5 9.217 8.908 -1.093 32 2HB ARG 5 1HB ARG 5 8.730 9.834 -2.506 33 1HG ARG 5 2HG ARG 5 7.777 10.234 0.320 34 2HG ARG 5 1HG ARG 5 8.872 11.279 -0.586 35 1HD ARG 5 2HD ARG 5 7.043 11.659 -2.229 36 2HD ARG 5 1HD ARG 5 5.969 10.734 -1.182 37 HE ARG 5 HE ARG 5 5.833 12.537 0.230 38 1HH1 ARG 5 1HH1 ARG 5 8.455 13.038 -2.018 39 2HH1 ARG 5 2HH1 ARG 5 8.706 14.687 -1.552 40 1HH2 ARG 5 1HH2 ARG 5 6.161 14.706 0.843 41 2HH2 ARG 5 2HH2 ARG 5 7.404 15.633 0.073 42 H LEU 6 H LEU 6 7.878 6.530 -0.277 43 HA LEU 6 HA LEU 6 9.177 4.963 -2.356 44 1HB LEU 6 2HB LEU 6 10.037 3.595 -0.593 45 2HB LEU 6 1HB LEU 6 10.248 5.275 -0.143 46 HG LEU 6 HG LEU 6 7.836 4.691 1.019 47 1HD1 LEU 6 1HD1 LEU 6 7.769 2.571 1.894 48 2HD1 LEU 6 2HD1 LEU 6 9.505 2.322 1.711 49 3HD1 LEU 6 3HD1 LEU 6 8.450 2.255 0.299 50 1HD2 LEU 6 1HD2 LEU 6 10.611 4.454 2.174 51 2HD2 LEU 6 2HD2 LEU 6 9.131 4.574 3.123 52 3HD2 LEU 6 3HD2 LEU 6 9.622 5.911 2.084 53 HA PRO 7 HA PRO 7 5.554 2.411 -2.812 54 1HB PRO 7 2HB PRO 7 6.521 0.647 -4.577 55 2HB PRO 7 1HB PRO 7 6.234 2.333 -5.025 56 1HG PRO 7 2HG PRO 7 8.801 0.974 -4.312 57 2HG PRO 7 1HG PRO 7 8.477 2.150 -5.598 58 1HD PRO 7 2HD PRO 7 9.605 2.779 -3.166 59 2HD PRO 7 1HD PRO 7 8.725 3.932 -4.188 60 H SER 8 H SER 8 4.874 0.170 -2.504 61 HA SER 8 HA SER 8 6.614 -1.239 -0.593 62 1HB SER 8 2HB SER 8 3.771 -0.596 -0.587 63 2HB SER 8 1HB SER 8 4.066 -2.313 -0.310 64 HG SER 8 HG SER 8 4.555 -1.752 1.644 65 H ASP 9 H ASP 9 7.180 -3.318 -0.943 66 HA ASP 9 HA ASP 9 6.454 -4.469 -3.522 67 1HB ASP 9 2HB ASP 9 8.705 -4.770 -1.630 68 2HB ASP 9 1HB ASP 9 8.224 -6.238 -2.474 69 H ARG 10 H ARG 10 5.070 -6.094 -3.758 70 HA ARG 10 HA ARG 10 3.647 -7.114 -1.492 71 1HB ARG 10 2HB ARG 10 2.578 -8.582 -3.329 72 2HB ARG 10 1HB ARG 10 2.285 -6.849 -3.353 73 1HG ARG 10 2HG ARG 10 3.320 -6.581 -5.319 74 2HG ARG 10 1HG ARG 10 4.628 -7.687 -4.892 75 1HD ARG 10 2HD ARG 10 3.681 -8.993 -6.464 76 2HD ARG 10 1HD ARG 10 2.596 -9.434 -5.152 77 HE ARG 10 HE ARG 10 0.975 -7.909 -6.052 78 1HH1 ARG 10 1HH1 ARG 10 3.740 -8.508 -8.113 79 2HH1 ARG 10 2HH1 ARG 10 2.929 -8.012 -9.558 80 1HH2 ARG 10 1HH2 ARG 10 -0.085 -7.251 -7.987 81 2HH2 ARG 10 2HH2 ARG 10 0.774 -7.302 -9.487 82 HN2 GLY 11 H GLY 11 6.583 -7.984 -2.775 83 1HA GLY 11 2HA GLY 11 7.892 -9.863 -2.671 84 2HA GLY 11 1HA GLY 11 6.997 -10.197 -1.202 85 H ARG 12 H ARG 12 7.872 -12.330 -2.486 86 HA ARG 12 HA ARG 12 5.582 -13.335 -4.039 87 1HB ARG 12 2HB ARG 12 8.069 -13.312 -4.923 88 2HB ARG 12 1HB ARG 12 8.197 -14.774 -3.954 89 1HG ARG 12 2HG ARG 12 5.833 -15.040 -5.434 90 2HG ARG 12 1HG ARG 12 7.041 -14.404 -6.551 91 1HD ARG 12 2HD ARG 12 8.539 -16.265 -5.411 92 2HD ARG 12 1HD ARG 12 6.966 -16.996 -5.096 93 HE ARG 12 HE ARG 12 7.334 -16.172 -7.825 94 1HH1 ARG 12 1HH1 ARG 12 7.842 -18.742 -5.520 95 2HH1 ARG 12 2HH1 ARG 12 7.910 -19.981 -6.728 96 1HH2 ARG 12 1HH2 ARG 12 7.422 -17.800 -9.415 97 2HH2 ARG 12 2HH2 ARG 12 7.672 -19.446 -8.939 98 H CYS 13 H CYS 13 7.086 -13.507 -1.035 99 HA CYS 13 HA CYS 13 7.101 -16.055 -0.173 100 1HB CYS 13 2HB CYS 13 6.106 -15.083 2.043 101 2HB CYS 13 1HB CYS 13 7.682 -14.552 1.475 102 H LYS 14 H LYS 14 4.182 -14.308 0.835 103 HA LYS 14 HA LYS 14 2.640 -16.703 0.114 104 1HB LYS 14 2HB LYS 14 2.045 -14.615 2.219 105 2HB LYS 14 1HB LYS 14 1.054 -16.025 1.869 106 1HG LYS 14 2HG LYS 14 3.920 -16.388 2.609 107 2HG LYS 14 1HG LYS 14 2.723 -16.054 3.862 108 1HD LYS 14 2HD LYS 14 1.622 -18.050 3.528 109 2HD LYS 14 1HD LYS 14 2.170 -18.193 1.856 110 1HE LYS 14 2HE LYS 14 3.307 -19.850 3.147 111 2HE LYS 14 1HE LYS 14 4.473 -18.598 2.723 112 1HZ LYS 14 1HZ LYS 14 3.610 -17.692 5.067 113 2HZ LYS 14 2HZ LYS 14 4.942 -18.722 4.905 114 3HZ LYS 14 3HZ LYS 14 3.430 -19.355 5.324 115 H ALA 15 H ALA 15 2.994 -15.146 -2.002 116 HA ALA 15 HA ALA 15 1.279 -12.967 -2.366 117 1HB ALA 15 1HB ALA 15 1.537 -13.360 -4.754 118 2HB ALA 15 2HB ALA 15 2.197 -14.964 -4.430 119 3HB ALA 15 3HB ALA 15 3.081 -13.525 -3.918 120 H SER 16 H SER 16 -0.763 -13.306 -1.540 121 HA SER 16 HA SER 16 -2.610 -14.638 -3.266 122 1HB SER 16 2HB SER 16 -2.103 -15.817 -0.529 123 2HB SER 16 1HB SER 16 -3.508 -16.196 -1.525 124 HG SER 16 HG SER 16 -1.877 -16.792 -3.175 125 H PHE 17 H PHE 17 -2.087 -12.007 -1.851 126 HA PHE 17 HA PHE 17 -4.847 -11.642 -0.933 127 1HB PHE 17 2HB PHE 17 -2.361 -10.818 0.563 128 2HB PHE 17 1HB PHE 17 -3.925 -10.064 0.853 129 HD1 PHE 17 HD2 PHE 17 -1.946 -13.122 1.196 130 HD2 PHE 17 HD1 PHE 17 -5.693 -11.258 1.971 131 HE1 PHE 17 HE2 PHE 17 -2.518 -14.931 2.763 132 HE2 PHE 17 HE1 PHE 17 -6.271 -13.063 3.540 133 HZ PHE 17 HZ PHE 17 -4.683 -14.902 3.937 134 H GLU 18 H GLU 18 -5.403 -9.263 -0.793 135 HA GLU 18 HA GLU 18 -3.950 -7.748 -2.863 136 1HB GLU 18 2HB GLU 18 -6.124 -6.775 -3.540 137 2HB GLU 18 1HB GLU 18 -6.053 -8.514 -3.792 138 1HG GLU 18 2HG GLU 18 -7.165 -7.580 -1.219 139 2HG GLU 18 1HG GLU 18 -8.131 -7.292 -2.666 140 H ARG 19 H ARG 19 -3.493 -5.631 -2.431 141 HA ARG 19 HA ARG 19 -4.772 -4.337 -0.148 142 1HB ARG 19 2HB ARG 19 -1.768 -4.391 -0.293 143 2HB ARG 19 1HB ARG 19 -2.787 -3.876 1.043 144 1HG ARG 19 2HG ARG 19 -2.672 -6.716 0.069 145 2HG ARG 19 1HG ARG 19 -1.621 -6.080 1.335 146 1HD ARG 19 2HD ARG 19 -4.408 -5.431 1.803 147 2HD ARG 19 1HD ARG 19 -4.149 -7.170 1.668 148 HE ARG 19 HE ARG 19 -2.252 -5.887 3.389 149 1HH1 ARG 19 1HH1 ARG 19 -5.461 -7.246 3.223 150 2HH1 ARG 19 2HH1 ARG 19 -5.536 -7.596 4.917 151 1HH2 ARG 19 1HH2 ARG 19 -2.346 -6.347 5.616 152 2HH2 ARG 19 2HH2 ARG 19 -3.768 -7.086 6.276 153 H TRP 20 H TRP 20 -3.759 -2.045 0.122 154 HA TRP 20 HA TRP 20 -3.552 -0.871 -2.570 155 1HB TRP 20 2HB TRP 20 -4.540 0.374 0.007 156 2HB TRP 20 1HB TRP 20 -4.425 1.203 -1.541 157 HD1 TRP 20 HD1 TRP 20 -6.471 -1.497 0.259 158 HE1 TRP 20 HE1 TRP 20 -8.685 -1.823 -1.005 159 HE3 TRP 20 HE3 TRP 20 -5.526 1.454 -3.807 160 HZ2 TRP 20 HZ2 TRP 20 -9.873 -0.950 -3.403 161 HZ3 TRP 20 HZ3 TRP 20 -7.258 1.654 -5.544 162 HH2 TRP 20 HH2 TRP 20 -9.388 0.476 -5.345 163 H TYR 21 H TYR 21 -2.077 0.836 -2.925 164 HA TYR 21 HA TYR 21 -0.076 1.344 -0.848 165 1HB TYR 21 2HB TYR 21 1.687 1.049 -2.765 166 2HB TYR 21 1HB TYR 21 1.102 -0.370 -1.900 167 HD1 TYR 21 HD1 TYR 21 -1.107 -1.410 -2.980 168 HD2 TYR 21 HD2 TYR 21 1.780 0.902 -5.075 169 HE1 TYR 21 HE1 TYR 21 -1.880 -2.372 -5.083 170 HE2 TYR 21 HE2 TYR 21 1.012 -0.067 -7.205 171 HH TYR 21 HH TYR 21 -0.818 -1.165 -8.168 172 H PHE 22 H PHE 22 0.916 3.335 -1.003 173 HA PHE 22 HA PHE 22 -0.454 5.313 -2.531 174 1HB PHE 22 2HB PHE 22 0.908 5.415 -0.218 175 2HB PHE 22 1HB PHE 22 2.171 5.974 -1.311 176 HD1 PHE 22 HD2 PHE 22 -1.372 6.608 -0.381 177 HD2 PHE 22 HD1 PHE 22 2.256 8.196 -1.936 178 HE1 PHE 22 HE2 PHE 22 -2.354 8.862 -0.356 179 HE2 PHE 22 HE1 PHE 22 1.281 10.455 -1.914 180 HZ PHE 22 HZ PHE 22 -1.028 10.790 -1.123 181 H ASN 23 H ASN 23 -0.084 5.922 -4.549 182 HA ASN 23 HA ASN 23 2.561 5.361 -5.722 183 1HB ASN 23 2HB ASN 23 0.484 4.085 -6.590 184 2HB ASN 23 1HB ASN 23 0.041 5.613 -7.345 185 1HD2 ASN 23 1HD2 ASN 23 1.414 6.492 -8.941 186 2HD2 ASN 23 2HD2 ASN 23 2.507 5.487 -9.826 187 HN2 GLY 24 H GLY 24 3.118 7.505 -4.832 188 1HA GLY 24 2HA GLY 24 3.776 9.648 -5.410 189 2HA GLY 24 1HA GLY 24 2.810 9.514 -6.872 190 H ARG 25 H ARG 25 0.523 9.903 -6.724 191 HA ARG 25 HA ARG 25 -0.186 11.615 -4.431 192 1HB ARG 25 2HB ARG 25 -1.634 12.878 -5.998 193 2HB ARG 25 1HB ARG 25 0.072 12.969 -6.413 194 1HG ARG 25 2HG ARG 25 -1.669 10.912 -7.700 195 2HG ARG 25 1HG ARG 25 -1.691 12.581 -8.271 196 1HD ARG 25 2HD ARG 25 0.317 12.392 -9.249 197 2HD ARG 25 1HD ARG 25 0.999 11.510 -7.883 198 HE ARG 25 HE ARG 25 0.546 9.542 -8.965 199 1HH1 ARG 25 1HH1 ARG 25 -1.195 12.128 -10.533 200 2HH1 ARG 25 2HH1 ARG 25 -1.701 11.147 -11.867 201 1HH2 ARG 25 1HH2 ARG 25 -0.120 8.249 -10.717 202 2HH2 ARG 25 2HH2 ARG 25 -1.092 8.945 -11.972 203 H THR 26 H THR 26 -1.249 9.136 -6.668 204 HA THR 26 HA THR 26 -3.755 8.874 -5.142 205 HB THR 26 HB THR 26 -3.439 7.436 -7.717 206 HG1 THR 26 HG1 THR 26 -2.655 9.318 -8.458 207 1HG2 THR 26 1HG2 THR 26 -5.631 8.839 -6.266 208 2HG2 THR 26 2HG2 THR 26 -5.570 7.193 -6.895 209 3HG2 THR 26 3HG2 THR 26 -5.756 8.554 -8.002 210 H CYS 27 H CYS 27 -4.587 6.568 -5.057 211 HA CYS 27 HA CYS 27 -2.434 4.889 -4.052 212 1HB CYS 27 2HB CYS 27 -5.002 5.380 -3.167 213 2HB CYS 27 1HB CYS 27 -5.138 3.786 -3.902 214 H ALA 28 H ALA 28 -2.864 2.431 -4.418 215 HA ALA 28 HA ALA 28 -3.681 1.875 -7.165 216 1HB ALA 28 1HB ALA 28 -1.432 2.288 -7.588 217 2HB ALA 28 2HB ALA 28 -1.520 0.535 -7.437 218 3HB ALA 28 3HB ALA 28 -0.911 1.507 -6.097 219 H LYS 29 H LYS 29 -3.301 -0.640 -7.565 220 HA LYS 29 HA LYS 29 -3.984 -2.132 -5.133 221 1HB LYS 29 2HB LYS 29 -5.751 -1.571 -7.399 222 2HB LYS 29 1HB LYS 29 -5.634 -3.284 -7.015 223 1HG LYS 29 2HG LYS 29 -6.011 -1.548 -4.688 224 2HG LYS 29 1HG LYS 29 -7.347 -1.535 -5.843 225 1HD LYS 29 2HD LYS 29 -6.798 -4.198 -5.672 226 2HD LYS 29 1HD LYS 29 -6.432 -3.656 -4.032 227 1HE LYS 29 2HE LYS 29 -8.593 -3.468 -3.545 228 2HE LYS 29 1HE LYS 29 -8.878 -2.462 -4.965 229 1HZ LYS 29 1HZ LYS 29 -8.565 -5.339 -5.382 230 2HZ LYS 29 2HZ LYS 29 -9.549 -4.230 -6.197 231 3HZ LYS 29 3HZ LYS 29 -10.008 -4.807 -4.675 232 H PHE 30 H PHE 30 -3.128 -4.114 -5.021 233 HA PHE 30 HA PHE 30 -2.337 -5.593 -7.346 234 1HB PHE 30 2HB PHE 30 0.044 -5.665 -6.898 235 2HB PHE 30 1HB PHE 30 -0.461 -3.999 -7.129 236 HD1 PHE 30 HD2 PHE 30 -1.668 -4.565 -4.002 237 HD2 PHE 30 HD1 PHE 30 2.073 -4.306 -6.019 238 HE1 PHE 30 HE2 PHE 30 -0.578 -3.953 -1.891 239 HE2 PHE 30 HE1 PHE 30 3.169 -3.692 -3.905 240 HZ PHE 30 HZ PHE 30 1.844 -3.515 -1.838 241 H ILE 31 H ILE 31 -0.950 -7.594 -6.571 242 HA ILE 31 HA ILE 31 -2.501 -8.772 -4.412 243 HB ILE 31 HB ILE 31 -0.460 -10.045 -6.244 244 1HG1 ILE 31 2HG1 ILE 31 -2.446 -9.176 -7.440 245 2HG1 ILE 31 1HG1 ILE 31 -2.356 -10.934 -7.482 246 1HG2 ILE 31 1HG2 ILE 31 -0.641 -11.346 -4.260 247 2HG2 ILE 31 2HG2 ILE 31 -1.586 -12.165 -5.503 248 3HG2 ILE 31 3HG2 ILE 31 -2.400 -11.215 -4.260 249 1HD1 ILE 31 1HD1 ILE 31 -4.603 -10.433 -7.077 250 2HD1 ILE 31 2HD1 ILE 31 -4.201 -9.198 -5.883 251 3HD1 ILE 31 3HD1 ILE 31 -3.952 -10.903 -5.507 252 H TYR 32 H TYR 32 -1.728 -8.351 -2.426 253 HA TYR 32 HA TYR 32 1.127 -8.044 -2.016 254 1HB TYR 32 2HB TYR 32 -0.676 -6.558 -0.970 255 2HB TYR 32 1HB TYR 32 -0.994 -7.908 0.116 256 HD1 TYR 32 HD1 TYR 32 1.825 -5.777 -1.091 257 HD2 TYR 32 HD2 TYR 32 0.177 -8.044 2.111 258 HE1 TYR 32 HE1 TYR 32 3.646 -5.017 0.376 259 HE2 TYR 32 HE2 TYR 32 1.993 -7.289 3.587 260 HH TYR 32 HH TYR 32 4.465 -6.440 3.180 261 HN2 GLY 33 H GLY 33 2.388 -9.672 -1.534 262 1HA GLY 33 2HA GLY 33 1.283 -12.198 -0.644 263 2HA GLY 33 1HA GLY 33 2.966 -11.875 -1.036 264 HN2 GLY 34 H GLY 34 3.058 -9.519 0.739 265 1HA GLY 34 2HA GLY 34 2.547 -9.350 3.209 266 2HA GLY 34 1HA GLY 34 3.173 -10.988 3.298 267 H CYS 35 H CYS 35 5.309 -10.402 1.326 268 HA CYS 35 HA CYS 35 7.046 -8.867 3.134 269 1HB CYS 35 2HB CYS 35 8.933 -10.160 2.057 270 2HB CYS 35 1HB CYS 35 7.841 -11.098 3.066 271 HN2 GLY 36 H GLY 36 8.552 -7.411 2.303 272 1HA GLY 36 2HA GLY 36 9.628 -6.365 0.389 273 2HA GLY 36 1HA GLY 36 8.157 -6.663 -0.525 274 HN2 GLY 37 H GLY 37 6.496 -5.818 1.814 275 1HA GLY 37 2HA GLY 37 6.449 -3.009 1.148 276 2HA GLY 37 1HA GLY 37 5.308 -3.857 2.180 277 H ASN 38 H ASN 38 5.649 -1.703 3.318 278 HA ASN 38 HA ASN 38 7.172 -2.168 5.660 279 1HB ASN 38 2HB ASN 38 8.524 0.074 5.255 280 2HB ASN 38 1HB ASN 38 9.150 -1.477 4.706 281 1HD2 ASN 38 1HD2 ASN 38 10.320 -0.792 2.997 282 2HD2 ASN 38 2HD2 ASN 38 9.646 -0.028 1.601 283 HN2 GLY 39 H GLY 39 6.457 0.864 3.936 284 1HA GLY 39 2HA GLY 39 4.384 1.427 5.955 285 2HA GLY 39 1HA GLY 39 5.606 2.627 5.565 286 H ASN 40 H ASN 40 5.046 1.091 2.733 287 HA ASN 40 HA ASN 40 3.262 3.212 1.825 288 1HB ASN 40 2HB ASN 40 5.412 2.643 0.631 289 2HB ASN 40 1HB ASN 40 4.673 1.116 0.165 290 1HD2 ASN 40 1HD2 ASN 40 4.415 4.604 -0.112 291 2HD2 ASN 40 2HD2 ASN 40 3.539 4.606 -1.600 292 H LYS 41 H LYS 41 3.238 -0.174 2.506 293 HA LYS 41 HA LYS 41 1.013 -0.876 0.871 294 1HB LYS 41 2HB LYS 41 2.622 -2.548 1.659 295 2HB LYS 41 1HB LYS 41 2.139 -2.242 3.321 296 1HG LYS 41 2HG LYS 41 -0.012 -3.001 1.446 297 2HG LYS 41 1HG LYS 41 1.166 -4.250 1.853 298 1HD LYS 41 2HD LYS 41 -0.399 -2.617 3.852 299 2HD LYS 41 1HD LYS 41 -0.790 -4.265 3.357 300 1HE LYS 41 2HE LYS 41 1.608 -4.831 4.095 301 2HE LYS 41 1HE LYS 41 1.564 -3.280 4.933 302 1HZ LYS 41 1HZ LYS 41 0.788 -5.533 6.062 303 2HZ LYS 41 2HZ LYS 41 -0.687 -5.078 5.372 304 3HZ LYS 41 3HZ LYS 41 0.094 -4.040 6.454 305 H PHE 42 H PHE 42 -1.122 -1.338 1.518 306 HA PHE 42 HA PHE 42 -2.015 -0.442 4.132 307 1HB PHE 42 2HB PHE 42 -3.051 0.815 1.582 308 2HB PHE 42 1HB PHE 42 -3.706 1.087 3.193 309 HD1 PHE 42 HD1 PHE 42 -1.721 1.734 4.949 310 HD2 PHE 42 HD2 PHE 42 -1.748 2.502 0.764 311 HE1 PHE 42 HE1 PHE 42 -0.133 3.582 5.283 312 HE2 PHE 42 HE2 PHE 42 -0.161 4.354 1.090 313 HZ PHE 42 HZ PHE 42 0.649 4.896 3.352 314 HA PRO 43 HA PRO 43 -4.316 -4.240 3.360 315 1HB PRO 43 2HB PRO 43 -5.830 -3.118 5.678 316 2HB PRO 43 1HB PRO 43 -5.209 -4.754 5.424 317 1HG PRO 43 2HG PRO 43 -3.960 -3.079 7.069 318 2HG PRO 43 1HG PRO 43 -3.041 -4.166 6.009 319 1HD PRO 43 2HD PRO 43 -3.521 -1.232 5.764 320 2HD PRO 43 1HD PRO 43 -2.092 -2.186 5.316 321 H THR 44 H THR 44 -6.006 -1.214 4.218 322 HA THR 44 HA THR 44 -7.987 -1.853 2.134 323 HB THR 44 HB THR 44 -9.419 -0.269 3.797 324 HG1 THR 44 HG1 THR 44 -7.576 -0.399 5.301 325 1HG2 THR 44 1HG2 THR 44 -10.326 -2.381 4.828 326 2HG2 THR 44 2HG2 THR 44 -9.121 -3.251 3.878 327 3HG2 THR 44 3HG2 THR 44 -10.361 -2.294 3.067 328 H GLN 45 H GLN 45 -9.018 -0.009 1.136 329 HA GLN 45 HA GLN 45 -7.175 2.005 0.412 330 1HB GLN 45 2HB GLN 45 -9.196 1.064 -0.902 331 2HB GLN 45 1HB GLN 45 -10.142 2.245 -0.005 332 1HG GLN 45 2HG GLN 45 -7.702 3.136 -1.461 333 2HG GLN 45 1HG GLN 45 -9.181 2.812 -2.363 334 1HE2 GLN 45 1HE2 GLN 45 -11.113 3.973 -1.700 335 2HE2 GLN 45 2HE2 GLN 45 -10.956 5.567 -1.050 336 H GLU 46 H GLU 46 -9.707 1.843 2.809 337 HA GLU 46 HA GLU 46 -10.110 4.554 3.312 338 1HB GLU 46 2HB GLU 46 -10.280 2.117 5.067 339 2HB GLU 46 1HB GLU 46 -10.619 3.722 5.698 340 1HG GLU 46 2HG GLU 46 -12.637 3.779 4.766 341 2HG GLU 46 1HG GLU 46 -12.035 3.174 3.222 342 H ALA 47 H ALA 47 -7.569 2.381 4.388 343 HA ALA 47 HA ALA 47 -6.418 4.210 6.257 344 1HB ALA 47 1HB ALA 47 -5.733 1.554 5.162 345 2HB ALA 47 2HB ALA 47 -5.745 2.127 6.830 346 3HB ALA 47 3HB ALA 47 -4.394 2.527 5.770 347 H CYS 48 H CYS 48 -6.038 3.561 2.855 348 HA CYS 48 HA CYS 48 -3.558 4.808 2.425 349 1HB CYS 48 2HB CYS 48 -4.594 3.338 0.773 350 2HB CYS 48 1HB CYS 48 -5.914 4.482 0.555 351 H MET 49 H MET 49 -6.868 6.085 2.166 352 HA MET 49 HA MET 49 -6.057 8.700 1.414 353 1HB MET 49 2HB MET 49 -8.595 7.381 2.191 354 2HB MET 49 1HB MET 49 -8.525 9.127 2.382 355 1HG MET 49 2HG MET 49 -7.628 9.088 -0.056 356 2HG MET 49 1HG MET 49 -8.364 7.488 -0.102 357 1HE MET 49 1HE MET 49 -8.960 10.084 -1.893 358 2HE MET 49 2HE MET 49 -8.979 11.259 -0.579 359 3HE MET 49 3HE MET 49 -10.448 10.947 -1.503 360 H LYS 50 H LYS 50 -6.824 7.208 4.526 361 HA LYS 50 HA LYS 50 -6.677 9.700 5.945 362 1HB LYS 50 2HB LYS 50 -7.015 8.413 7.939 363 2HB LYS 50 1HB LYS 50 -8.085 7.794 6.690 364 1HG LYS 50 2HG LYS 50 -7.287 5.766 7.039 365 2HG LYS 50 1HG LYS 50 -5.691 6.315 6.523 366 1HD LYS 50 2HD LYS 50 -5.531 7.224 8.966 367 2HD LYS 50 1HD LYS 50 -6.811 6.051 9.282 368 1HE LYS 50 2HE LYS 50 -5.318 4.331 8.178 369 2HE LYS 50 1HE LYS 50 -4.034 5.537 8.244 370 1HZ LYS 50 1HZ LYS 50 -3.915 5.421 10.514 371 2HZ LYS 50 2HZ LYS 50 -4.315 3.818 10.153 372 3HZ LYS 50 3HZ LYS 50 -5.509 4.883 10.698 373 H ARG 51 H ARG 51 -4.289 7.956 4.529 374 HA ARG 51 HA ARG 51 -2.356 8.323 6.691 375 1HB ARG 51 2HB ARG 51 -2.631 6.335 4.809 376 2HB ARG 51 1HB ARG 51 -1.333 7.311 4.138 377 1HG ARG 51 2HG ARG 51 -0.455 5.518 5.514 378 2HG ARG 51 1HG ARG 51 -0.081 7.091 6.219 379 1HD ARG 51 2HD ARG 51 -0.917 6.265 8.119 380 2HD ARG 51 1HD ARG 51 -2.499 6.461 7.367 381 HE ARG 51 HE ARG 51 -2.644 4.183 7.138 382 1HH1 ARG 51 1HH1 ARG 51 0.638 5.043 7.958 383 2HH1 ARG 51 2HH1 ARG 51 1.131 3.406 8.231 384 1HH2 ARG 51 1HH2 ARG 51 -1.997 2.030 7.496 385 2HH2 ARG 51 2HH2 ARG 51 -0.363 1.695 7.968 386 H CYS 52 H CYS 52 -2.704 9.183 3.242 387 HA CYS 52 HA CYS 52 -0.851 11.423 3.730 388 1HB CYS 52 2HB CYS 52 -0.950 9.437 1.651 389 2HB CYS 52 1HB CYS 52 -1.134 11.041 0.948 390 H ALA 53 H ALA 53 -3.985 10.511 2.492 391 HA ALA 53 HA ALA 53 -4.546 13.084 1.339 392 1HB ALA 53 1HB ALA 53 -6.366 12.110 0.459 393 2HB ALA 53 2HB ALA 53 -6.833 11.365 1.987 394 3HB ALA 53 3HB ALA 53 -5.601 10.608 0.976 395 H LYS 54 H LYS 54 -4.868 11.623 4.462 396 HA LYS 54 HA LYS 54 -6.923 13.215 5.522 397 1HB LYS 54 2HB LYS 54 -5.397 11.140 6.448 398 2HB LYS 54 1HB LYS 54 -4.789 12.483 7.403 399 1HG LYS 54 2HG LYS 54 -7.380 12.929 7.736 400 2HG LYS 54 1HG LYS 54 -7.455 11.195 7.416 401 1HD LYS 54 2HD LYS 54 -7.257 11.418 9.761 402 2HD LYS 54 1HD LYS 54 -5.663 10.928 9.184 403 1HE LYS 54 2HE LYS 54 -4.855 13.186 9.336 404 2HE LYS 54 1HE LYS 54 -6.468 13.782 9.725 405 1HZ LYS 54 1HZ LYS 54 -5.104 11.798 11.438 406 2HZ LYS 54 2HZ LYS 54 -6.394 12.818 11.830 407 3HZ LYS 54 3HZ LYS 54 -4.841 13.459 11.632 408 H ALA 55 H ALA 55 -3.466 13.517 6.328 409 HA ALA 55 HA ALA 55 -3.824 16.266 7.106 410 1HB ALA 55 1HB ALA 55 -1.375 14.517 6.949 411 2HB ALA 55 2HB ALA 55 -2.299 14.943 8.390 412 3HB ALA 55 3HB ALA 55 -1.370 16.179 7.542 Start of MODEL 9 1 1H ILE 1 1H ILE 1 5.470 10.993 5.563 2 2H ILE 1 2H ILE 1 4.439 12.329 5.877 3 3H ILE 1 3H ILE 1 6.107 12.585 5.562 4 HA ILE 1 HA ILE 1 3.982 11.742 3.732 5 HB ILE 1 HB ILE 1 4.403 14.160 4.093 6 1HG1 ILE 1 2HG1 ILE 1 3.635 13.123 1.890 7 2HG1 ILE 1 1HG1 ILE 1 4.291 14.754 1.809 8 1HG2 ILE 1 1HG2 ILE 1 7.152 13.464 3.095 9 2HG2 ILE 1 2HG2 ILE 1 6.709 14.232 4.619 10 3HG2 ILE 1 3HG2 ILE 1 6.509 15.106 3.101 11 1HD1 ILE 1 1HD1 ILE 1 6.463 13.030 1.405 12 2HD1 ILE 1 2HD1 ILE 1 5.656 14.056 0.220 13 3HD1 ILE 1 3HD1 ILE 1 5.132 12.387 0.444 14 H ASP 2 H ASP 2 7.412 11.606 4.416 15 HA ASP 2 HA ASP 2 8.378 10.848 1.912 16 1HB ASP 2 2HB ASP 2 9.766 11.463 3.909 17 2HB ASP 2 1HB ASP 2 9.414 9.872 4.580 18 H THR 3 H THR 3 6.573 9.054 4.269 19 HA THR 3 HA THR 3 7.235 6.436 3.598 20 HB THR 3 HB THR 3 4.381 6.984 4.169 21 HG1 THR 3 HG1 THR 3 6.468 7.731 5.930 22 1HG2 THR 3 1HG2 THR 3 4.500 5.182 5.585 23 2HG2 THR 3 2HG2 THR 3 6.225 5.395 5.885 24 3HG2 THR 3 3HG2 THR 3 5.672 4.743 4.343 25 H CYS 4 H CYS 4 5.249 8.763 1.932 26 HA CYS 4 HA CYS 4 3.995 6.872 0.179 27 1HB CYS 4 2HB CYS 4 4.275 9.869 -0.110 28 2HB CYS 4 1HB CYS 4 3.178 8.841 -1.024 29 H ARG 5 H ARG 5 7.137 7.882 0.364 30 HA ARG 5 HA ARG 5 7.583 7.986 -2.516 31 1HB ARG 5 2HB ARG 5 9.750 8.134 -0.444 32 2HB ARG 5 1HB ARG 5 9.721 8.823 -2.061 33 1HG ARG 5 2HG ARG 5 7.891 9.763 0.127 34 2HG ARG 5 1HG ARG 5 9.500 10.440 -0.134 35 1HD ARG 5 2HD ARG 5 8.439 11.868 -1.502 36 2HD ARG 5 1HD ARG 5 8.470 10.527 -2.647 37 HE ARG 5 HE ARG 5 6.188 10.094 -1.274 38 1HH1 ARG 5 1HH1 ARG 5 7.474 12.897 -2.907 39 2HH1 ARG 5 2HH1 ARG 5 5.914 13.533 -3.311 40 1HH2 ARG 5 1HH2 ARG 5 4.135 10.928 -1.805 41 2HH2 ARG 5 2HH2 ARG 5 4.020 12.415 -2.684 42 H LEU 6 H LEU 6 7.782 5.754 0.102 43 HA LEU 6 HA LEU 6 9.741 4.041 -1.114 44 1HB LEU 6 2HB LEU 6 7.883 2.928 0.905 45 2HB LEU 6 1HB LEU 6 9.622 2.759 0.766 46 HG LEU 6 HG LEU 6 8.069 5.024 1.995 47 1HD1 LEU 6 1HD1 LEU 6 10.368 3.501 3.164 48 2HD1 LEU 6 2HD1 LEU 6 8.720 2.879 3.243 49 3HD1 LEU 6 3HD1 LEU 6 9.113 4.428 3.987 50 1HD2 LEU 6 1HD2 LEU 6 9.631 6.409 1.176 51 2HD2 LEU 6 2HD2 LEU 6 10.696 5.085 0.703 52 3HD2 LEU 6 3HD2 LEU 6 10.699 5.669 2.367 53 HA PRO 7 HA PRO 7 6.711 2.161 -3.846 54 1HB PRO 7 2HB PRO 7 8.410 0.522 -5.149 55 2HB PRO 7 1HB PRO 7 8.361 2.262 -5.460 56 1HG PRO 7 2HG PRO 7 10.268 0.692 -3.767 57 2HG PRO 7 1HG PRO 7 10.607 2.005 -4.909 58 1HD PRO 7 2HD PRO 7 10.466 2.374 -2.215 59 2HD PRO 7 1HD PRO 7 10.049 3.638 -3.391 60 H SER 8 H SER 8 5.547 1.035 -2.233 61 HA SER 8 HA SER 8 6.487 -1.237 -0.873 62 1HB SER 8 2HB SER 8 4.034 0.239 -1.064 63 2HB SER 8 1HB SER 8 3.680 -1.484 -1.172 64 HG SER 8 HG SER 8 5.391 -0.437 0.816 65 H ASP 9 H ASP 9 6.961 -3.184 -1.619 66 HA ASP 9 HA ASP 9 6.004 -4.000 -4.245 67 1HB ASP 9 2HB ASP 9 8.238 -4.771 -2.464 68 2HB ASP 9 1HB ASP 9 7.547 -6.073 -3.428 69 H ARG 10 H ARG 10 4.928 -5.982 -4.627 70 HA ARG 10 HA ARG 10 3.152 -6.735 -2.455 71 1HB ARG 10 2HB ARG 10 1.926 -7.957 -4.233 72 2HB ARG 10 1HB ARG 10 2.127 -6.249 -4.580 73 1HG ARG 10 2HG ARG 10 3.987 -6.779 -6.080 74 2HG ARG 10 1HG ARG 10 3.758 -8.495 -5.743 75 1HD ARG 10 2HD ARG 10 1.539 -6.781 -6.809 76 2HD ARG 10 1HD ARG 10 2.714 -7.542 -7.877 77 HE ARG 10 HE ARG 10 1.465 -9.357 -6.025 78 1HH1 ARG 10 1HH1 ARG 10 1.192 -7.804 -9.139 79 2HH1 ARG 10 2HH1 ARG 10 0.251 -9.080 -9.837 80 1HH2 ARG 10 1HH2 ARG 10 0.245 -11.058 -6.963 81 2HH2 ARG 10 2HH2 ARG 10 -0.290 -10.920 -8.602 82 HN2 GLY 11 H GLY 11 5.982 -7.944 -3.942 83 1HA GLY 11 2HA GLY 11 7.149 -9.900 -3.673 84 2HA GLY 11 1HA GLY 11 6.260 -10.071 -2.169 85 H ARG 12 H ARG 12 7.063 -12.211 -3.840 86 HA ARG 12 HA ARG 12 4.484 -13.158 -4.895 87 1HB ARG 12 2HB ARG 12 7.289 -13.544 -5.748 88 2HB ARG 12 1HB ARG 12 6.261 -14.967 -5.844 89 1HG ARG 12 2HG ARG 12 4.653 -13.141 -6.999 90 2HG ARG 12 1HG ARG 12 6.236 -12.499 -7.442 91 1HD ARG 12 2HD ARG 12 6.806 -14.852 -8.211 92 2HD ARG 12 1HD ARG 12 5.088 -15.210 -8.051 93 HE ARG 12 HE ARG 12 5.359 -12.910 -9.614 94 1HH1 ARG 12 1HH1 ARG 12 6.086 -16.320 -9.786 95 2HH1 ARG 12 2HH1 ARG 12 5.947 -16.390 -11.511 96 1HH2 ARG 12 1HH2 ARG 12 5.177 -13.001 -11.882 97 2HH2 ARG 12 2HH2 ARG 12 5.432 -14.506 -12.701 98 H CYS 13 H CYS 13 6.655 -13.496 -2.342 99 HA CYS 13 HA CYS 13 6.844 -16.102 -1.669 100 1HB CYS 13 2HB CYS 13 6.325 -15.195 0.784 101 2HB CYS 13 1HB CYS 13 7.822 -14.823 -0.058 102 H LYS 14 H LYS 14 4.288 -14.370 0.080 103 HA LYS 14 HA LYS 14 2.575 -16.728 -0.310 104 1HB LYS 14 2HB LYS 14 3.161 -15.015 2.006 105 2HB LYS 14 1HB LYS 14 1.455 -15.380 1.791 106 1HG LYS 14 2HG LYS 14 2.520 -16.978 3.277 107 2HG LYS 14 1HG LYS 14 1.949 -17.763 1.803 108 1HD LYS 14 2HD LYS 14 4.115 -18.632 2.259 109 2HD LYS 14 1HD LYS 14 4.283 -17.523 0.896 110 1HE LYS 14 2HE LYS 14 4.964 -15.756 2.538 111 2HE LYS 14 1HE LYS 14 4.990 -17.007 3.780 112 1HZ LYS 14 1HZ LYS 14 7.115 -16.340 2.351 113 2HZ LYS 14 2HZ LYS 14 6.501 -17.562 1.357 114 3HZ LYS 14 3HZ LYS 14 6.881 -17.897 2.971 115 H ALA 15 H ALA 15 2.694 -14.658 -2.261 116 HA ALA 15 HA ALA 15 0.830 -12.647 -2.126 117 1HB ALA 15 1HB ALA 15 1.905 -12.517 -4.108 118 2HB ALA 15 2HB ALA 15 0.487 -13.396 -4.684 119 3HB ALA 15 3HB ALA 15 1.974 -14.267 -4.310 120 H SER 16 H SER 16 -1.207 -12.745 -1.441 121 HA SER 16 HA SER 16 -3.158 -14.312 -2.775 122 1HB SER 16 2HB SER 16 -1.831 -15.664 -0.706 123 2HB SER 16 1HB SER 16 -3.391 -15.193 -0.030 124 HG SER 16 HG SER 16 -4.412 -16.264 -1.701 125 H PHE 17 H PHE 17 -2.266 -12.294 -0.046 126 HA PHE 17 HA PHE 17 -5.050 -11.455 0.289 127 1HB PHE 17 2HB PHE 17 -2.670 -10.656 1.968 128 2HB PHE 17 1HB PHE 17 -4.373 -10.463 2.367 129 HD1 PHE 17 HD2 PHE 17 -5.752 -12.692 2.451 130 HD2 PHE 17 HD1 PHE 17 -1.520 -12.450 2.829 131 HE1 PHE 17 HE2 PHE 17 -5.733 -14.872 3.591 132 HE2 PHE 17 HE1 PHE 17 -1.492 -14.629 3.969 133 HZ PHE 17 HZ PHE 17 -3.602 -15.843 4.353 134 H GLU 18 H GLU 18 -5.704 -9.776 -0.865 135 HA GLU 18 HA GLU 18 -3.894 -8.040 -2.197 136 1HB GLU 18 2HB GLU 18 -6.885 -8.016 -1.841 137 2HB GLU 18 1HB GLU 18 -6.042 -6.744 -2.715 138 1HG GLU 18 2HG GLU 18 -5.655 -8.044 -4.508 139 2HG GLU 18 1HG GLU 18 -5.399 -9.493 -3.538 140 H ARG 19 H ARG 19 -3.290 -5.966 -1.759 141 HA ARG 19 HA ARG 19 -4.326 -4.700 0.671 142 1HB ARG 19 2HB ARG 19 -1.718 -5.845 0.369 143 2HB ARG 19 1HB ARG 19 -1.556 -4.102 0.521 144 1HG ARG 19 2HG ARG 19 -1.417 -5.272 2.676 145 2HG ARG 19 1HG ARG 19 -2.757 -4.125 2.608 146 1HD ARG 19 2HD ARG 19 -4.345 -5.771 2.614 147 2HD ARG 19 1HD ARG 19 -3.284 -6.947 1.840 148 HE ARG 19 HE ARG 19 -2.203 -6.487 4.330 149 1HH1 ARG 19 1HH1 ARG 19 -5.242 -7.658 3.074 150 2HH1 ARG 19 2HH1 ARG 19 -5.562 -8.669 4.443 151 1HH2 ARG 19 1HH2 ARG 19 -2.621 -7.816 6.131 152 2HH2 ARG 19 2HH2 ARG 19 -4.074 -8.758 6.179 153 H TRP 20 H TRP 20 -3.735 -2.390 0.816 154 HA TRP 20 HA TRP 20 -3.703 -1.184 -1.865 155 1HB TRP 20 2HB TRP 20 -4.709 -0.126 0.783 156 2HB TRP 20 1HB TRP 20 -4.652 0.822 -0.698 157 HD1 TRP 20 HD1 TRP 20 -6.590 -2.002 0.974 158 HE1 TRP 20 HE1 TRP 20 -8.753 -2.425 -0.349 159 HE3 TRP 20 HE3 TRP 20 -5.669 0.997 -3.062 160 HZ2 TRP 20 HZ2 TRP 20 -9.913 -1.600 -2.777 161 HZ3 TRP 20 HZ3 TRP 20 -7.361 1.123 -4.844 162 HH2 TRP 20 HH2 TRP 20 -9.440 -0.151 -4.704 163 H TYR 21 H TYR 21 -2.374 0.605 -2.307 164 HA TYR 21 HA TYR 21 -0.366 1.346 -0.318 165 1HB TYR 21 2HB TYR 21 1.379 1.094 -2.255 166 2HB TYR 21 1HB TYR 21 0.925 -0.318 -1.306 167 HD1 TYR 21 HD2 TYR 21 -1.226 -1.583 -2.304 168 HD2 TYR 21 HD1 TYR 21 1.472 0.817 -4.548 169 HE1 TYR 21 HE2 TYR 21 -1.920 -2.733 -4.345 170 HE2 TYR 21 HE1 TYR 21 0.781 -0.333 -6.611 171 HH TYR 21 HH TYR 21 -0.278 -2.369 -7.335 172 H PHE 22 H PHE 22 0.064 3.461 -0.378 173 HA PHE 22 HA PHE 22 -1.185 5.061 -2.447 174 1HB PHE 22 2HB PHE 22 -0.230 6.977 -0.989 175 2HB PHE 22 1HB PHE 22 -1.551 6.007 -0.348 176 HD1 PHE 22 HD1 PHE 22 2.002 6.814 -0.069 177 HD2 PHE 22 HD2 PHE 22 -1.199 4.487 1.493 178 HE1 PHE 22 HE1 PHE 22 3.344 6.315 1.933 179 HE2 PHE 22 HE2 PHE 22 0.138 3.985 3.496 180 HZ PHE 22 HZ PHE 22 2.413 4.900 3.718 181 H ASN 23 H ASN 23 -0.119 5.277 -4.292 182 HA ASN 23 HA ASN 23 2.791 5.391 -4.309 183 1HB ASN 23 2HB ASN 23 1.271 4.054 -5.955 184 2HB ASN 23 1HB ASN 23 1.074 5.606 -6.763 185 1HD2 ASN 23 1HD2 ASN 23 2.834 6.557 -7.772 186 2HD2 ASN 23 2HD2 ASN 23 4.271 5.674 -8.143 187 HN2 GLY 24 H GLY 24 3.233 7.416 -3.450 188 1HA GLY 24 2HA GLY 24 3.863 9.624 -3.768 189 2HA GLY 24 1HA GLY 24 3.049 9.597 -5.325 190 H ARG 25 H ARG 25 0.523 9.210 -4.921 191 HA ARG 25 HA ARG 25 -0.473 10.722 -2.663 192 1HB ARG 25 2HB ARG 25 -1.636 12.392 -4.033 193 2HB ARG 25 1HB ARG 25 0.109 12.505 -4.218 194 1HG ARG 25 2HG ARG 25 -1.236 10.784 -6.180 195 2HG ARG 25 1HG ARG 25 -1.657 12.496 -6.265 196 1HD ARG 25 2HD ARG 25 0.606 13.125 -6.583 197 2HD ARG 25 1HD ARG 25 1.185 11.513 -6.166 198 HE ARG 25 HE ARG 25 -0.358 11.057 -8.332 199 1HH1 ARG 25 1HH1 ARG 25 2.244 13.296 -7.706 200 2HH1 ARG 25 2HH1 ARG 25 2.776 13.333 -9.353 201 1HH2 ARG 25 1HH2 ARG 25 0.340 11.103 -10.500 202 2HH2 ARG 25 2HH2 ARG 25 1.695 12.088 -10.940 203 H THR 26 H THR 26 -1.079 8.879 -5.591 204 HA THR 26 HA THR 26 -3.876 8.496 -4.865 205 HB THR 26 HB THR 26 -3.314 8.915 -7.222 206 HG1 THR 26 HG1 THR 26 -5.083 7.480 -6.578 207 1HG2 THR 26 1HG2 THR 26 -1.133 7.370 -6.902 208 2HG2 THR 26 2HG2 THR 26 -1.855 7.758 -8.463 209 3HG2 THR 26 3HG2 THR 26 -2.232 6.227 -7.673 210 H CYS 27 H CYS 27 -4.733 6.210 -5.044 211 HA CYS 27 HA CYS 27 -2.976 4.460 -3.486 212 1HB CYS 27 2HB CYS 27 -5.497 5.186 -2.932 213 2HB CYS 27 1HB CYS 27 -5.831 3.753 -3.900 214 H ALA 28 H ALA 28 -3.404 2.048 -3.879 215 HA ALA 28 HA ALA 28 -3.991 1.336 -6.622 216 1HB ALA 28 1HB ALA 28 -1.731 0.166 -6.818 217 2HB ALA 28 2HB ALA 28 -1.215 1.220 -5.501 218 3HB ALA 28 3HB ALA 28 -1.766 1.916 -7.023 219 H LYS 29 H LYS 29 -3.417 -1.176 -6.875 220 HA LYS 29 HA LYS 29 -3.896 -2.590 -4.367 221 1HB LYS 29 2HB LYS 29 -5.953 -2.024 -6.280 222 2HB LYS 29 1HB LYS 29 -5.673 -3.759 -6.234 223 1HG LYS 29 2HG LYS 29 -5.813 -2.534 -3.590 224 2HG LYS 29 1HG LYS 29 -7.291 -2.354 -4.537 225 1HD LYS 29 2HD LYS 29 -6.292 -5.027 -4.816 226 2HD LYS 29 1HD LYS 29 -6.409 -4.616 -3.103 227 1HE LYS 29 2HE LYS 29 -8.699 -3.840 -4.799 228 2HE LYS 29 1HE LYS 29 -8.465 -5.570 -4.549 229 1HZ LYS 29 1HZ LYS 29 -9.910 -4.681 -2.863 230 2HZ LYS 29 2HZ LYS 29 -8.767 -3.513 -2.427 231 3HZ LYS 29 3HZ LYS 29 -8.452 -5.151 -2.146 232 H PHE 30 H PHE 30 -3.120 -4.628 -4.302 233 HA PHE 30 HA PHE 30 -2.469 -6.129 -6.654 234 1HB PHE 30 2HB PHE 30 -0.020 -6.298 -6.083 235 2HB PHE 30 1HB PHE 30 -0.530 -4.764 -6.770 236 HD1 PHE 30 HD2 PHE 30 -1.462 -5.235 -3.315 237 HD2 PHE 30 HD1 PHE 30 1.673 -3.960 -5.896 238 HE1 PHE 30 HE2 PHE 30 -0.400 -4.065 -1.438 239 HE2 PHE 30 HE1 PHE 30 2.739 -2.785 -4.019 240 HZ PHE 30 HZ PHE 30 1.704 -2.836 -1.786 241 H ILE 31 H ILE 31 -1.051 -8.155 -5.903 242 HA ILE 31 HA ILE 31 -2.512 -9.240 -3.625 243 HB ILE 31 HB ILE 31 -0.568 -10.607 -5.480 244 1HG1 ILE 31 2HG1 ILE 31 -2.554 -9.731 -6.660 245 2HG1 ILE 31 1HG1 ILE 31 -2.519 -11.492 -6.639 246 1HG2 ILE 31 1HG2 ILE 31 -1.432 -12.679 -4.619 247 2HG2 ILE 31 2HG2 ILE 31 -2.611 -11.819 -3.627 248 3HG2 ILE 31 3HG2 ILE 31 -0.888 -11.685 -3.268 249 1HD1 ILE 31 1HD1 ILE 31 -4.535 -9.706 -5.685 250 2HD1 ILE 31 2HD1 ILE 31 -3.957 -10.721 -4.363 251 3HD1 ILE 31 3HD1 ILE 31 -4.577 -11.462 -5.839 252 H TYR 32 H TYR 32 -1.645 -8.696 -1.710 253 HA TYR 32 HA TYR 32 1.234 -8.482 -1.409 254 1HB TYR 32 2HB TYR 32 -0.112 -6.758 -0.379 255 2HB TYR 32 1HB TYR 32 -1.041 -7.958 0.511 256 HD1 TYR 32 HD1 TYR 32 2.641 -7.916 0.069 257 HD2 TYR 32 HD2 TYR 32 -0.617 -7.274 2.729 258 HE1 TYR 32 HE1 TYR 32 4.218 -7.734 1.947 259 HE2 TYR 32 HE2 TYR 32 0.950 -7.090 4.614 260 HH TYR 32 HH TYR 32 3.268 -6.602 5.042 261 HN2 GLY 33 H GLY 33 2.308 -10.309 -1.168 262 1HA GLY 33 2HA GLY 33 1.129 -12.535 0.307 263 2HA GLY 33 1HA GLY 33 2.614 -12.580 -0.634 264 HN2 GLY 34 H GLY 34 3.562 -10.071 0.692 265 1HA GLY 34 2HA GLY 34 3.866 -9.736 3.226 266 2HA GLY 34 1HA GLY 34 4.495 -11.372 3.161 267 H CYS 35 H CYS 35 5.504 -10.242 0.316 268 HA CYS 35 HA CYS 35 8.009 -9.218 1.479 269 1HB CYS 35 2HB CYS 35 7.669 -10.559 -1.208 270 2HB CYS 35 1HB CYS 35 9.181 -10.122 -0.427 271 HN2 GLY 36 H GLY 36 8.038 -7.069 1.363 272 1HA GLY 36 2HA GLY 36 8.630 -5.353 -0.393 273 2HA GLY 36 1HA GLY 36 7.108 -5.811 -1.139 274 HN2 GLY 37 H GLY 37 6.143 -6.073 1.836 275 1HA GLY 37 2HA GLY 37 5.101 -3.365 1.914 276 2HA GLY 37 1HA GLY 37 4.601 -4.706 2.933 277 H ASN 38 H ASN 38 5.863 -1.770 3.111 278 HA ASN 38 HA ASN 38 7.368 -2.414 5.548 279 1HB ASN 38 2HB ASN 38 8.775 -0.291 4.866 280 2HB ASN 38 1HB ASN 38 9.191 -1.881 4.236 281 1HD2 ASN 38 1HD2 ASN 38 10.266 -0.648 2.561 282 2HD2 ASN 38 2HD2 ASN 38 9.351 -0.079 1.210 283 HN2 GLY 39 H GLY 39 6.568 0.624 3.868 284 1HA GLY 39 2HA GLY 39 4.781 1.319 6.093 285 2HA GLY 39 1HA GLY 39 6.095 2.409 5.682 286 H ASN 40 H ASN 40 5.137 1.058 2.831 287 HA ASN 40 HA ASN 40 3.482 3.390 2.209 288 1HB ASN 40 2HB ASN 40 5.511 2.982 0.843 289 2HB ASN 40 1HB ASN 40 4.831 1.442 0.330 290 1HD2 ASN 40 1HD2 ASN 40 4.122 4.904 0.407 291 2HD2 ASN 40 2HD2 ASN 40 3.276 4.943 -1.098 292 H LYS 41 H LYS 41 3.237 0.026 2.724 293 HA LYS 41 HA LYS 41 0.844 -0.275 1.102 294 1HB LYS 41 2HB LYS 41 2.725 -2.043 1.526 295 2HB LYS 41 1HB LYS 41 1.833 -2.362 3.007 296 1HG LYS 41 2HG LYS 41 -0.173 -2.847 1.695 297 2HG LYS 41 1HG LYS 41 0.731 -2.538 0.210 298 1HD LYS 41 2HD LYS 41 1.347 -4.685 2.242 299 2HD LYS 41 1HD LYS 41 0.567 -4.936 0.679 300 1HE LYS 41 2HE LYS 41 2.949 -3.502 0.191 301 2HE LYS 41 1HE LYS 41 3.356 -4.804 1.308 302 1HZ LYS 41 1HZ LYS 41 3.401 -6.129 -0.453 303 2HZ LYS 41 2HZ LYS 41 2.754 -4.940 -1.467 304 3HZ LYS 41 3HZ LYS 41 1.722 -5.951 -0.585 305 H PHE 42 H PHE 42 -1.137 -1.126 2.013 306 HA PHE 42 HA PHE 42 -1.627 -0.838 4.835 307 1HB PHE 42 2HB PHE 42 -2.311 1.300 2.942 308 2HB PHE 42 1HB PHE 42 -3.669 0.765 3.926 309 HD1 PHE 42 HD1 PHE 42 -2.297 0.108 6.460 310 HD2 PHE 42 HD2 PHE 42 -1.785 3.388 3.798 311 HE1 PHE 42 HE1 PHE 42 -1.489 1.491 8.326 312 HE2 PHE 42 HE2 PHE 42 -0.973 4.777 5.659 313 HZ PHE 42 HZ PHE 42 -0.826 3.829 7.928 314 HA PRO 43 HA PRO 43 -4.430 -4.121 3.852 315 1HB PRO 43 2HB PRO 43 -6.060 -3.067 6.101 316 2HB PRO 43 1HB PRO 43 -5.408 -4.689 5.846 317 1HG PRO 43 2HG PRO 43 -4.322 -3.049 7.643 318 2HG PRO 43 1HG PRO 43 -3.311 -4.117 6.650 319 1HD PRO 43 2HD PRO 43 -3.804 -1.179 6.385 320 2HD PRO 43 1HD PRO 43 -2.307 -2.101 6.132 321 H THR 44 H THR 44 -5.885 -0.963 4.654 322 HA THR 44 HA THR 44 -7.896 -1.483 2.562 323 HB THR 44 HB THR 44 -9.394 0.055 3.886 324 HG1 THR 44 HG1 THR 44 -8.068 1.079 5.270 325 1HG2 THR 44 1HG2 THR 44 -8.622 -2.317 5.543 326 2HG2 THR 44 2HG2 THR 44 -9.481 -2.480 4.010 327 3HG2 THR 44 3HG2 THR 44 -10.211 -1.577 5.338 328 H GLN 45 H GLN 45 -8.687 0.362 1.407 329 HA GLN 45 HA GLN 45 -6.615 2.168 0.658 330 1HB GLN 45 2HB GLN 45 -8.337 1.300 -0.912 331 2HB GLN 45 1HB GLN 45 -9.549 2.251 -0.065 332 1HG GLN 45 2HG GLN 45 -7.809 4.194 -0.621 333 2HG GLN 45 1HG GLN 45 -7.448 3.100 -1.957 334 1HE2 GLN 45 1HE2 GLN 45 -9.403 5.576 -0.909 335 2HE2 GLN 45 2HE2 GLN 45 -10.660 5.447 -2.086 336 H GLU 46 H GLU 46 -9.260 2.291 2.890 337 HA GLU 46 HA GLU 46 -9.648 5.052 3.088 338 1HB GLU 46 2HB GLU 46 -9.925 2.873 5.159 339 2HB GLU 46 1HB GLU 46 -10.446 4.532 5.418 340 1HG GLU 46 2HG GLU 46 -12.205 4.357 3.960 341 2HG GLU 46 1HG GLU 46 -11.449 3.061 3.035 342 H ALA 47 H ALA 47 -7.048 3.054 4.175 343 HA ALA 47 HA ALA 47 -6.044 5.045 6.036 344 1HB ALA 47 1HB ALA 47 -4.342 3.457 6.586 345 2HB ALA 47 2HB ALA 47 -4.727 2.478 5.170 346 3HB ALA 47 3HB ALA 47 -5.881 2.600 6.498 347 H CYS 48 H CYS 48 -5.185 3.674 2.884 348 HA CYS 48 HA CYS 48 -2.740 4.995 2.555 349 1HB CYS 48 2HB CYS 48 -2.837 4.367 0.284 350 2HB CYS 48 1HB CYS 48 -3.719 3.109 1.137 351 H MET 49 H MET 49 -6.010 6.116 2.184 352 HA MET 49 HA MET 49 -5.190 8.545 0.822 353 1HB MET 49 2HB MET 49 -7.666 7.106 1.232 354 2HB MET 49 1HB MET 49 -7.864 8.808 1.619 355 1HG MET 49 2HG MET 49 -8.420 8.308 -0.708 356 2HG MET 49 1HG MET 49 -7.076 9.441 -0.569 357 1HE MET 49 1HE MET 49 -8.029 7.746 -3.102 358 2HE MET 49 2HE MET 49 -6.543 7.109 -3.805 359 3HE MET 49 3HE MET 49 -6.629 8.799 -3.306 360 H LYS 50 H LYS 50 -6.381 7.551 3.994 361 HA LYS 50 HA LYS 50 -6.528 10.202 5.038 362 1HB LYS 50 2HB LYS 50 -7.887 8.386 5.952 363 2HB LYS 50 1HB LYS 50 -6.433 7.540 6.465 364 1HG LYS 50 2HG LYS 50 -5.925 9.252 8.062 365 2HG LYS 50 1HG LYS 50 -7.244 10.260 7.464 366 1HD LYS 50 2HD LYS 50 -8.155 9.286 9.367 367 2HD LYS 50 1HD LYS 50 -8.748 8.247 8.069 368 1HE LYS 50 2HE LYS 50 -7.972 6.601 9.403 369 2HE LYS 50 1HE LYS 50 -6.433 7.002 8.642 370 1HZ LYS 50 1HZ LYS 50 -7.235 8.451 11.065 371 2HZ LYS 50 2HZ LYS 50 -5.685 8.069 10.505 372 3HZ LYS 50 3HZ LYS 50 -6.643 6.874 11.221 373 H ARG 51 H ARG 51 -3.891 8.274 4.295 374 HA ARG 51 HA ARG 51 -2.243 9.523 6.389 375 1HB ARG 51 2HB ARG 51 -2.119 6.911 4.989 376 2HB ARG 51 1HB ARG 51 -0.583 7.680 5.364 377 1HG ARG 51 2HG ARG 51 -1.274 6.115 7.106 378 2HG ARG 51 1HG ARG 51 -1.165 7.767 7.715 379 1HD ARG 51 2HD ARG 51 -3.810 7.158 6.696 380 2HD ARG 51 1HD ARG 51 -3.323 6.040 7.969 381 HE ARG 51 HE ARG 51 -3.974 8.815 8.262 382 1HH1 ARG 51 1HH1 ARG 51 -2.127 6.179 9.611 383 2HH1 ARG 51 2HH1 ARG 51 -2.090 6.856 11.204 384 1HH2 ARG 51 1HH2 ARG 51 -3.925 9.707 10.356 385 2HH2 ARG 51 2HH2 ARG 51 -3.111 8.857 11.628 386 H CYS 52 H CYS 52 -2.653 9.158 2.934 387 HA CYS 52 HA CYS 52 -0.359 10.968 2.534 388 1HB CYS 52 2HB CYS 52 -0.367 8.528 1.559 389 2HB CYS 52 1HB CYS 52 -1.397 9.241 0.323 390 H ALA 53 H ALA 53 -3.713 10.326 1.773 391 HA ALA 53 HA ALA 53 -3.859 12.530 -0.106 392 1HB ALA 53 1HB ALA 53 -5.194 10.270 -0.121 393 2HB ALA 53 2HB ALA 53 -5.936 11.764 -0.691 394 3HB ALA 53 3HB ALA 53 -6.294 11.164 0.929 395 H LYS 54 H LYS 54 -4.598 11.882 3.242 396 HA LYS 54 HA LYS 54 -5.934 14.472 3.507 397 1HB LYS 54 2HB LYS 54 -5.775 12.020 5.215 398 2HB LYS 54 1HB LYS 54 -6.168 13.564 5.958 399 1HG LYS 54 2HG LYS 54 -8.110 13.805 4.574 400 2HG LYS 54 1HG LYS 54 -7.676 12.371 3.642 401 1HD LYS 54 2HD LYS 54 -8.513 10.971 5.186 402 2HD LYS 54 1HD LYS 54 -7.859 11.911 6.529 403 1HE LYS 54 2HE LYS 54 -9.786 13.586 5.685 404 2HE LYS 54 1HE LYS 54 -10.504 12.044 5.221 405 1HZ LYS 54 1HZ LYS 54 -9.937 13.105 7.881 406 2HZ LYS 54 2HZ LYS 54 -9.761 11.437 7.663 407 3HZ LYS 54 3HZ LYS 54 -11.247 12.179 7.342 408 H ALA 55 H ALA 55 -3.349 12.624 5.126 409 HA ALA 55 HA ALA 55 -2.386 14.756 6.681 410 1HB ALA 55 1HB ALA 55 -0.184 13.176 6.321 411 2HB ALA 55 2HB ALA 55 -1.505 12.056 5.988 412 3HB ALA 55 3HB ALA 55 -1.443 12.911 7.529 Start of MODEL 10 1 1H ILE 1 1H ILE 1 8.788 14.405 2.219 2 2H ILE 1 2H ILE 1 8.579 14.301 3.920 3 3H ILE 1 3H ILE 1 7.372 15.038 2.949 4 HA ILE 1 HA ILE 1 7.068 12.669 3.799 5 HB ILE 1 HB ILE 1 5.570 13.863 2.245 6 1HG1 ILE 1 2HG1 ILE 1 4.700 11.824 1.068 7 2HG1 ILE 1 1HG1 ILE 1 6.151 10.971 1.585 8 1HG2 ILE 1 1HG2 ILE 1 6.734 12.620 -0.151 9 2HG2 ILE 1 2HG2 ILE 1 7.659 13.955 0.537 10 3HG2 ILE 1 3HG2 ILE 1 5.979 14.200 0.059 11 1HD1 ILE 1 1HD1 ILE 1 4.913 12.229 3.837 12 2HD1 ILE 1 2HD1 ILE 1 5.234 10.520 3.544 13 3HD1 ILE 1 3HD1 ILE 1 3.735 11.249 2.966 14 H ASP 2 H ASP 2 8.298 10.930 4.029 15 HA ASP 2 HA ASP 2 10.093 10.159 1.829 16 1HB ASP 2 2HB ASP 2 10.248 9.549 4.784 17 2HB ASP 2 1HB ASP 2 11.339 8.880 3.574 18 H THR 3 H THR 3 7.371 9.174 3.701 19 HA THR 3 HA THR 3 7.628 6.370 3.051 20 HB THR 3 HB THR 3 5.182 7.725 4.170 21 HG1 THR 3 HG1 THR 3 6.802 8.350 5.526 22 1HG2 THR 3 1HG2 THR 3 6.018 4.973 3.815 23 2HG2 THR 3 2HG2 THR 3 4.428 5.640 4.186 24 3HG2 THR 3 3HG2 THR 3 5.585 5.346 5.483 25 H CYS 4 H CYS 4 5.461 9.034 2.129 26 HA CYS 4 HA CYS 4 3.901 7.519 0.333 27 1HB CYS 4 2HB CYS 4 3.723 10.026 1.383 28 2HB CYS 4 1HB CYS 4 4.188 10.385 -0.276 29 H ARG 5 H ARG 5 7.101 8.627 0.052 30 HA ARG 5 HA ARG 5 6.995 8.751 -2.862 31 1HB ARG 5 2HB ARG 5 9.404 9.385 -2.665 32 2HB ARG 5 1HB ARG 5 8.300 10.482 -1.846 33 1HG ARG 5 2HG ARG 5 9.100 9.980 0.200 34 2HG ARG 5 1HG ARG 5 9.407 8.292 -0.212 35 1HD ARG 5 2HD ARG 5 11.296 9.231 -1.697 36 2HD ARG 5 1HD ARG 5 11.107 10.704 -0.745 37 HE ARG 5 HE ARG 5 11.367 8.797 1.146 38 1HH1 ARG 5 1HH1 ARG 5 13.253 9.604 -1.678 39 2HH1 ARG 5 2HH1 ARG 5 14.744 9.052 -0.993 40 1HH2 ARG 5 1HH2 ARG 5 13.329 8.073 2.049 41 2HH2 ARG 5 2HH2 ARG 5 14.788 8.184 1.123 42 H LEU 6 H LEU 6 8.129 6.684 -0.281 43 HA LEU 6 HA LEU 6 9.597 4.973 -2.100 44 1HB LEU 6 2HB LEU 6 10.299 3.762 -0.203 45 2HB LEU 6 1HB LEU 6 10.316 5.450 0.267 46 HG LEU 6 HG LEU 6 7.893 4.865 1.174 47 1HD1 LEU 6 1HD1 LEU 6 9.091 2.282 1.907 48 2HD1 LEU 6 2HD1 LEU 6 8.536 2.410 0.239 49 3HD1 LEU 6 3HD1 LEU 6 7.413 2.703 1.568 50 1HD2 LEU 6 1HD2 LEU 6 10.080 5.581 2.360 51 2HD2 LEU 6 2HD2 LEU 6 10.213 3.874 2.783 52 3HD2 LEU 6 3HD2 LEU 6 8.808 4.805 3.302 53 HA PRO 7 HA PRO 7 5.912 2.562 -2.916 54 1HB PRO 7 2HB PRO 7 7.015 0.802 -4.628 55 2HB PRO 7 1HB PRO 7 6.689 2.477 -5.090 56 1HG PRO 7 2HG PRO 7 9.267 1.216 -4.236 57 2HG PRO 7 1HG PRO 7 8.965 2.359 -5.557 58 1HD PRO 7 2HD PRO 7 9.967 3.104 -3.132 59 2HD PRO 7 1HD PRO 7 8.991 4.177 -4.154 60 H SER 8 H SER 8 5.204 0.329 -2.666 61 HA SER 8 HA SER 8 6.814 -1.097 -0.659 62 1HB SER 8 2HB SER 8 3.947 -0.526 -0.908 63 2HB SER 8 1HB SER 8 4.299 -2.210 -0.520 64 HG SER 8 HG SER 8 5.719 -1.279 1.166 65 H ASP 9 H ASP 9 7.026 -3.359 -0.783 66 HA ASP 9 HA ASP 9 6.931 -4.375 -3.508 67 1HB ASP 9 2HB ASP 9 8.480 -4.956 -1.089 68 2HB ASP 9 1HB ASP 9 7.972 -6.403 -1.954 69 H ARG 10 H ARG 10 5.900 -6.304 -4.107 70 HA ARG 10 HA ARG 10 3.497 -6.854 -2.573 71 1HB ARG 10 2HB ARG 10 4.414 -7.636 -5.331 72 2HB ARG 10 1HB ARG 10 2.939 -8.263 -4.613 73 1HG ARG 10 2HG ARG 10 1.916 -6.158 -4.593 74 2HG ARG 10 1HG ARG 10 3.448 -5.319 -4.848 75 1HD ARG 10 2HD ARG 10 2.097 -5.342 -6.882 76 2HD ARG 10 1HD ARG 10 3.595 -6.246 -7.095 77 HE ARG 10 HE ARG 10 1.837 -8.162 -6.379 78 1HH1 ARG 10 1HH1 ARG 10 1.748 -5.662 -8.814 79 2HH1 ARG 10 2HH1 ARG 10 0.776 -6.587 -9.908 80 1HH2 ARG 10 1HH2 ARG 10 0.562 -9.382 -7.824 81 2HH2 ARG 10 2HH2 ARG 10 0.101 -8.697 -9.346 82 HN2 GLY 11 H GLY 11 6.591 -8.171 -2.809 83 1HA GLY 11 2HA GLY 11 7.448 -10.310 -2.455 84 2HA GLY 11 1HA GLY 11 6.521 -10.086 -0.985 85 H ARG 12 H ARG 12 6.605 -11.629 -4.122 86 HA ARG 12 HA ARG 12 4.104 -12.773 -4.276 87 1HB ARG 12 2HB ARG 12 6.800 -13.500 -5.242 88 2HB ARG 12 1HB ARG 12 5.650 -14.827 -5.163 89 1HG ARG 12 2HG ARG 12 4.109 -13.045 -6.395 90 2HG ARG 12 1HG ARG 12 5.686 -12.445 -6.916 91 1HD ARG 12 2HD ARG 12 5.369 -13.959 -8.571 92 2HD ARG 12 1HD ARG 12 6.051 -15.054 -7.370 93 HE ARG 12 HE ARG 12 3.302 -15.010 -6.974 94 1HH1 ARG 12 1HH1 ARG 12 5.548 -15.978 -9.462 95 2HH1 ARG 12 2HH1 ARG 12 4.517 -17.220 -10.086 96 1HH2 ARG 12 1HH2 ARG 12 1.943 -16.645 -7.792 97 2HH2 ARG 12 2HH2 ARG 12 2.468 -17.599 -9.138 98 H CYS 13 H CYS 13 6.933 -14.530 -3.004 99 HA CYS 13 HA CYS 13 7.058 -16.293 -1.555 100 1HB CYS 13 2HB CYS 13 5.150 -14.553 0.023 101 2HB CYS 13 1HB CYS 13 6.250 -15.765 0.676 102 H LYS 14 H LYS 14 5.109 -17.245 0.333 103 HA LYS 14 HA LYS 14 3.514 -18.819 -1.497 104 1HB LYS 14 2HB LYS 14 4.822 -19.454 0.792 105 2HB LYS 14 1HB LYS 14 3.189 -19.237 1.405 106 1HG LYS 14 2HG LYS 14 2.899 -21.375 0.843 107 2HG LYS 14 1HG LYS 14 2.751 -20.768 -0.808 108 1HD LYS 14 2HD LYS 14 4.563 -21.912 -1.401 109 2HD LYS 14 1HD LYS 14 5.520 -21.039 -0.203 110 1HE LYS 14 2HE LYS 14 5.029 -22.659 1.478 111 2HE LYS 14 1HE LYS 14 3.830 -23.445 0.451 112 1HZ LYS 14 1HZ LYS 14 5.552 -24.818 0.041 113 2HZ LYS 14 2HZ LYS 14 6.730 -23.665 0.421 114 3HZ LYS 14 3HZ LYS 14 5.976 -23.635 -1.093 115 H ALA 15 H ALA 15 2.989 -15.877 -0.289 116 HA ALA 15 HA ALA 15 0.144 -16.382 0.271 117 1HB ALA 15 1HB ALA 15 2.089 -14.655 1.519 118 2HB ALA 15 2HB ALA 15 0.480 -15.125 2.068 119 3HB ALA 15 3HB ALA 15 0.674 -13.748 0.983 120 H SER 16 H SER 16 -1.339 -14.592 -0.416 121 HA SER 16 HA SER 16 -0.561 -12.926 -2.606 122 1HB SER 16 2HB SER 16 -2.237 -15.382 -3.168 123 2HB SER 16 1HB SER 16 -2.091 -14.016 -4.272 124 HG SER 16 HG SER 16 -0.549 -16.042 -4.261 125 H PHE 17 H PHE 17 -1.499 -11.539 -0.923 126 HA PHE 17 HA PHE 17 -4.444 -11.539 -0.979 127 1HB PHE 17 2HB PHE 17 -2.476 -10.971 1.146 128 2HB PHE 17 1HB PHE 17 -3.817 -9.834 1.053 129 HD1 PHE 17 HD1 PHE 17 -6.186 -10.823 1.036 130 HD2 PHE 17 HD2 PHE 17 -2.732 -13.000 2.236 131 HE1 PHE 17 HE1 PHE 17 -7.617 -12.408 2.261 132 HE2 PHE 17 HE2 PHE 17 -4.155 -14.589 3.462 133 HZ PHE 17 HZ PHE 17 -6.600 -14.295 3.476 134 H GLU 18 H GLU 18 -5.355 -9.242 -0.680 135 HA GLU 18 HA GLU 18 -3.968 -7.511 -2.601 136 1HB GLU 18 2HB GLU 18 -6.844 -7.879 -1.855 137 2HB GLU 18 1HB GLU 18 -6.320 -6.355 -2.557 138 1HG GLU 18 2HG GLU 18 -6.872 -7.415 -4.467 139 2HG GLU 18 1HG GLU 18 -5.219 -8.010 -4.325 140 H ARG 19 H ARG 19 -3.360 -5.470 -2.106 141 HA ARG 19 HA ARG 19 -4.228 -4.273 0.407 142 1HB ARG 19 2HB ARG 19 -1.378 -4.975 -0.258 143 2HB ARG 19 1HB ARG 19 -1.771 -3.687 0.873 144 1HG ARG 19 2HG ARG 19 -3.298 -5.882 1.684 145 2HG ARG 19 1HG ARG 19 -1.707 -6.529 1.286 146 1HD ARG 19 2HD ARG 19 -0.638 -5.037 2.807 147 2HD ARG 19 1HD ARG 19 -2.126 -4.127 3.051 148 HE ARG 19 HE ARG 19 -2.703 -6.694 3.833 149 1HH1 ARG 19 1HH1 ARG 19 -0.388 -4.254 4.757 150 2HH1 ARG 19 2HH1 ARG 19 -0.294 -4.786 6.402 151 1HH2 ARG 19 1HH2 ARG 19 -2.585 -7.395 5.997 152 2HH2 ARG 19 2HH2 ARG 19 -1.544 -6.569 7.107 153 H TRP 20 H TRP 20 -3.477 -1.993 0.606 154 HA TRP 20 HA TRP 20 -3.407 -0.743 -2.055 155 1HB TRP 20 2HB TRP 20 -4.378 0.354 0.591 156 2HB TRP 20 1HB TRP 20 -4.335 1.263 -0.916 157 HD1 TRP 20 HD1 TRP 20 -6.341 -1.378 0.926 158 HE1 TRP 20 HE1 TRP 20 -8.513 -1.839 -0.367 159 HE3 TRP 20 HE3 TRP 20 -5.313 1.240 -3.343 160 HZ2 TRP 20 HZ2 TRP 20 -9.642 -1.185 -2.861 161 HZ3 TRP 20 HZ3 TRP 20 -6.995 1.269 -5.138 162 HH2 TRP 20 HH2 TRP 20 -9.117 0.080 -4.902 163 H TYR 21 H TYR 21 -1.947 0.863 -2.536 164 HA TYR 21 HA TYR 21 0.095 1.487 -0.504 165 1HB TYR 21 2HB TYR 21 1.690 1.456 -2.623 166 2HB TYR 21 1HB TYR 21 1.358 -0.018 -1.719 167 HD1 TYR 21 HD2 TYR 21 -0.834 -1.285 -2.559 168 HD2 TYR 21 HD1 TYR 21 1.534 1.331 -4.929 169 HE1 TYR 21 HE2 TYR 21 -1.721 -2.329 -4.582 170 HE2 TYR 21 HE1 TYR 21 0.640 0.293 -6.973 171 HH TYR 21 HH TYR 21 -0.428 -2.073 -7.542 172 H PHE 22 H PHE 22 1.163 3.504 -0.793 173 HA PHE 22 HA PHE 22 -0.519 5.548 -1.832 174 1HB PHE 22 2HB PHE 22 2.355 5.696 -0.892 175 2HB PHE 22 1HB PHE 22 1.307 7.079 -1.187 176 HD1 PHE 22 HD2 PHE 22 -1.101 6.732 0.083 177 HD2 PHE 22 HD1 PHE 22 2.673 5.195 1.311 178 HE1 PHE 22 HE2 PHE 22 -1.906 6.618 2.405 179 HE2 PHE 22 HE1 PHE 22 1.874 5.079 3.635 180 HZ PHE 22 HZ PHE 22 -0.418 5.792 4.184 181 H ASN 23 H ASN 23 -0.202 6.934 -3.577 182 HA ASN 23 HA ASN 23 1.986 6.462 -5.416 183 1HB ASN 23 2HB ASN 23 -0.153 4.888 -5.829 184 2HB ASN 23 1HB ASN 23 -0.684 6.316 -6.711 185 1HD2 ASN 23 1HD2 ASN 23 0.213 6.789 -8.641 186 2HD2 ASN 23 2HD2 ASN 23 1.415 5.820 -9.416 187 HN2 GLY 24 H GLY 24 2.201 8.689 -4.484 188 1HA GLY 24 2HA GLY 24 2.310 10.924 -5.099 189 2HA GLY 24 1HA GLY 24 1.167 10.592 -6.391 190 H ARG 25 H ARG 25 -1.086 10.515 -5.885 191 HA ARG 25 HA ARG 25 -1.766 11.987 -3.422 192 1HB ARG 25 2HB ARG 25 -3.629 13.003 -4.659 193 2HB ARG 25 1HB ARG 25 -2.080 13.386 -5.396 194 1HG ARG 25 2HG ARG 25 -3.182 10.993 -6.553 195 2HG ARG 25 1HG ARG 25 -4.339 12.322 -6.640 196 1HD ARG 25 2HD ARG 25 -2.047 13.572 -7.378 197 2HD ARG 25 1HD ARG 25 -1.768 11.953 -8.017 198 HE ARG 25 HE ARG 25 -4.360 12.948 -8.684 199 1HH1 ARG 25 1HH1 ARG 25 -0.990 13.066 -9.580 200 2HH1 ARG 25 2HH1 ARG 25 -1.314 13.479 -11.230 201 1HH2 ARG 25 1HH2 ARG 25 -4.789 13.489 -10.853 202 2HH2 ARG 25 2HH2 ARG 25 -3.471 13.719 -11.954 203 H THR 26 H THR 26 -2.588 9.382 -5.598 204 HA THR 26 HA THR 26 -4.688 8.511 -3.723 205 HB THR 26 HB THR 26 -5.552 9.035 -5.965 206 HG1 THR 26 HG1 THR 26 -6.432 7.266 -4.745 207 1HG2 THR 26 1HG2 THR 26 -4.437 6.728 -7.314 208 2HG2 THR 26 2HG2 THR 26 -3.220 7.947 -6.937 209 3HG2 THR 26 3HG2 THR 26 -4.644 8.386 -7.880 210 H CYS 27 H CYS 27 -5.029 6.025 -3.971 211 HA CYS 27 HA CYS 27 -2.373 4.787 -3.734 212 1HB CYS 27 2HB CYS 27 -4.391 3.128 -2.569 213 2HB CYS 27 1HB CYS 27 -3.027 3.912 -1.787 214 H ALA 28 H ALA 28 -2.219 2.509 -4.314 215 HA ALA 28 HA ALA 28 -4.005 1.808 -6.544 216 1HB ALA 28 1HB ALA 28 -1.779 0.484 -7.222 217 2HB ALA 28 2HB ALA 28 -1.062 1.859 -6.380 218 3HB ALA 28 3HB ALA 28 -2.133 2.125 -7.755 219 H LYS 29 H LYS 29 -3.607 -0.703 -7.059 220 HA LYS 29 HA LYS 29 -3.646 -2.170 -4.515 221 1HB LYS 29 2HB LYS 29 -5.911 -1.585 -6.067 222 2HB LYS 29 1HB LYS 29 -5.557 -3.281 -6.371 223 1HG LYS 29 2HG LYS 29 -5.470 -3.593 -3.874 224 2HG LYS 29 1HG LYS 29 -6.114 -1.956 -3.732 225 1HD LYS 29 2HD LYS 29 -8.129 -2.934 -3.825 226 2HD LYS 29 1HD LYS 29 -7.814 -3.101 -5.553 227 1HE LYS 29 2HE LYS 29 -6.586 -5.296 -4.775 228 2HE LYS 29 1HE LYS 29 -7.652 -5.133 -3.378 229 1HZ LYS 29 1HZ LYS 29 -9.392 -4.782 -5.346 230 2HZ LYS 29 2HZ LYS 29 -9.031 -6.303 -4.699 231 3HZ LYS 29 3HZ LYS 29 -8.293 -5.798 -6.135 232 H PHE 30 H PHE 30 -2.766 -4.164 -4.531 233 HA PHE 30 HA PHE 30 -2.253 -5.575 -6.992 234 1HB PHE 30 2HB PHE 30 0.219 -5.744 -6.527 235 2HB PHE 30 1HB PHE 30 -0.334 -4.178 -7.101 236 HD1 PHE 30 HD1 PHE 30 -1.168 -4.800 -3.660 237 HD2 PHE 30 HD2 PHE 30 1.936 -3.463 -6.249 238 HE1 PHE 30 HE1 PHE 30 -0.053 -3.721 -1.759 239 HE2 PHE 30 HE2 PHE 30 3.055 -2.379 -4.347 240 HZ PHE 30 HZ PHE 30 2.061 -2.507 -2.098 241 H ILE 31 H ILE 31 -0.793 -7.605 -6.427 242 HA ILE 31 HA ILE 31 -2.138 -8.866 -4.175 243 HB ILE 31 HB ILE 31 -0.271 -10.070 -6.219 244 1HG1 ILE 31 2HG1 ILE 31 -2.355 -9.155 -7.200 245 2HG1 ILE 31 1HG1 ILE 31 -2.268 -10.910 -7.322 246 1HG2 ILE 31 1HG2 ILE 31 -2.048 -11.323 -4.136 247 2HG2 ILE 31 2HG2 ILE 31 -0.292 -11.429 -4.257 248 3HG2 ILE 31 3HG2 ILE 31 -1.308 -12.217 -5.465 249 1HD1 ILE 31 1HD1 ILE 31 -3.923 -9.284 -5.415 250 2HD1 ILE 31 2HD1 ILE 31 -3.711 -11.029 -5.284 251 3HD1 ILE 31 3HD1 ILE 31 -4.483 -10.342 -6.711 252 H TYR 32 H TYR 32 -1.142 -8.087 -2.353 253 HA TYR 32 HA TYR 32 1.756 -8.214 -2.118 254 1HB TYR 32 2HB TYR 32 0.657 -6.227 -1.266 255 2HB TYR 32 1HB TYR 32 -0.381 -7.203 -0.234 256 HD1 TYR 32 HD1 TYR 32 3.305 -7.390 -0.795 257 HD2 TYR 32 HD2 TYR 32 0.148 -6.615 1.946 258 HE1 TYR 32 HE1 TYR 32 4.944 -7.193 1.025 259 HE2 TYR 32 HE2 TYR 32 1.777 -6.417 3.776 260 HH TYR 32 HH TYR 32 4.091 -7.222 4.277 261 HN2 GLY 33 H GLY 33 2.399 -10.305 -1.881 262 1HA GLY 33 2HA GLY 33 1.028 -12.292 -0.429 263 2HA GLY 33 1HA GLY 33 2.733 -12.338 -0.851 264 HN2 GLY 34 H GLY 34 2.901 -9.628 0.652 265 1HA GLY 34 2HA GLY 34 2.669 -9.057 3.012 266 2HA GLY 34 1HA GLY 34 2.869 -10.763 3.375 267 H CYS 35 H CYS 35 4.997 -10.124 0.942 268 HA CYS 35 HA CYS 35 7.160 -9.628 2.876 269 1HB CYS 35 2HB CYS 35 7.694 -10.829 0.188 270 2HB CYS 35 1HB CYS 35 8.554 -11.055 1.704 271 HN2 GLY 36 H GLY 36 8.285 -7.813 2.715 272 1HA GLY 36 2HA GLY 36 9.488 -6.132 1.582 273 2HA GLY 36 1HA GLY 36 8.598 -6.514 0.116 274 HN2 GLY 37 H GLY 37 7.965 -5.292 3.410 275 1HA GLY 37 2HA GLY 37 6.529 -3.034 2.244 276 2HA GLY 37 1HA GLY 37 5.598 -4.108 3.277 277 H ASN 38 H ASN 38 6.345 -1.253 3.581 278 HA ASN 38 HA ASN 38 7.481 -1.491 6.275 279 1HB ASN 38 2HB ASN 38 8.502 0.897 5.638 280 2HB ASN 38 1HB ASN 38 9.379 -0.604 5.360 281 1HD2 ASN 38 1HD2 ASN 38 10.475 -0.323 3.550 282 2HD2 ASN 38 2HD2 ASN 38 9.828 0.250 2.053 283 HN2 GLY 39 H GLY 39 6.603 1.416 4.445 284 1HA GLY 39 2HA GLY 39 4.295 1.753 6.251 285 2HA GLY 39 1HA GLY 39 5.426 3.066 5.968 286 H ASN 40 H ASN 40 5.207 1.454 3.103 287 HA ASN 40 HA ASN 40 3.396 3.462 2.035 288 1HB ASN 40 2HB ASN 40 5.522 3.084 0.884 289 2HB ASN 40 1HB ASN 40 5.107 1.389 0.641 290 1HD2 ASN 40 1HD2 ASN 40 4.481 4.666 -0.322 291 2HD2 ASN 40 2HD2 ASN 40 3.600 4.290 -1.761 292 H LYS 41 H LYS 41 3.497 0.045 2.685 293 HA LYS 41 HA LYS 41 1.206 -0.589 1.064 294 1HB LYS 41 2HB LYS 41 1.349 -2.807 2.187 295 2HB LYS 41 1HB LYS 41 2.846 -2.312 1.408 296 1HG LYS 41 2HG LYS 41 3.882 -2.755 3.315 297 2HG LYS 41 1HG LYS 41 3.057 -1.360 4.014 298 1HD LYS 41 2HD LYS 41 1.456 -2.654 5.043 299 2HD LYS 41 1HD LYS 41 1.625 -3.973 3.884 300 1HE LYS 41 2HE LYS 41 3.784 -4.559 4.852 301 2HE LYS 41 1HE LYS 41 3.649 -3.220 5.990 302 1HZ LYS 41 1HZ LYS 41 1.888 -4.262 7.102 303 2HZ LYS 41 2HZ LYS 41 3.014 -5.496 6.837 304 3HZ LYS 41 3HZ LYS 41 1.636 -5.386 5.862 305 H PHE 42 H PHE 42 -0.827 -1.331 1.866 306 HA PHE 42 HA PHE 42 -1.516 -0.819 4.627 307 1HB PHE 42 2HB PHE 42 -2.274 1.013 2.420 308 2HB PHE 42 1HB PHE 42 -3.545 0.600 3.567 309 HD1 PHE 42 HD2 PHE 42 -0.288 2.229 3.147 310 HD2 PHE 42 HD1 PHE 42 -3.478 1.379 5.831 311 HE1 PHE 42 HE2 PHE 42 0.591 3.906 4.717 312 HE2 PHE 42 HE1 PHE 42 -2.606 3.054 7.406 313 HZ PHE 42 HZ PHE 42 -0.567 4.322 6.851 314 HA PRO 43 HA PRO 43 -4.307 -4.110 3.671 315 1HB PRO 43 2HB PRO 43 -5.924 -4.021 5.817 316 2HB PRO 43 1HB PRO 43 -4.232 -4.518 5.942 317 1HG PRO 43 2HG PRO 43 -5.484 -1.876 6.585 318 2HG PRO 43 1HG PRO 43 -4.255 -2.781 7.486 319 1HD PRO 43 2HD PRO 43 -3.682 -0.684 5.823 320 2HD PRO 43 1HD PRO 43 -2.545 -1.999 6.178 321 H THR 44 H THR 44 -5.912 -1.122 4.800 322 HA THR 44 HA THR 44 -8.101 -1.702 2.918 323 HB THR 44 HB THR 44 -9.248 0.111 4.488 324 HG1 THR 44 HG1 THR 44 -8.387 0.286 6.411 325 1HG2 THR 44 1HG2 THR 44 -8.942 -2.817 5.004 326 2HG2 THR 44 2HG2 THR 44 -10.326 -1.938 4.354 327 3HG2 THR 44 3HG2 THR 44 -9.913 -1.795 6.063 328 H GLN 45 H GLN 45 -9.028 0.035 1.748 329 HA GLN 45 HA GLN 45 -7.102 1.905 0.773 330 1HB GLN 45 2HB GLN 45 -9.126 0.737 -0.432 331 2HB GLN 45 1HB GLN 45 -10.021 2.130 0.157 332 1HG GLN 45 2HG GLN 45 -7.801 3.283 -0.951 333 2HG GLN 45 1HG GLN 45 -8.103 1.918 -2.024 334 1HE2 GLN 45 1HE2 GLN 45 -8.479 4.955 -2.140 335 2HE2 GLN 45 2HE2 GLN 45 -10.076 5.138 -2.769 336 H GLU 46 H GLU 46 -9.521 1.977 3.223 337 HA GLU 46 HA GLU 46 -10.040 4.759 3.259 338 1HB GLU 46 2HB GLU 46 -10.905 4.350 5.534 339 2HB GLU 46 1HB GLU 46 -11.531 3.196 4.364 340 1HG GLU 46 2HG GLU 46 -10.542 1.446 5.361 341 2HG GLU 46 1HG GLU 46 -9.088 2.359 5.765 342 H ALA 47 H ALA 47 -7.477 2.786 4.550 343 HA ALA 47 HA ALA 47 -6.472 4.777 6.353 344 1HB ALA 47 1HB ALA 47 -6.087 2.413 6.778 345 2HB ALA 47 2HB ALA 47 -4.556 3.271 6.605 346 3HB ALA 47 3HB ALA 47 -5.164 2.280 5.280 347 H CYS 48 H CYS 48 -5.384 3.498 3.209 348 HA CYS 48 HA CYS 48 -3.170 5.166 2.892 349 1HB CYS 48 2HB CYS 48 -3.203 4.554 0.573 350 2HB CYS 48 1HB CYS 48 -3.717 3.151 1.502 351 H MET 49 H MET 49 -6.568 5.719 2.222 352 HA MET 49 HA MET 49 -6.140 8.180 0.815 353 1HB MET 49 2HB MET 49 -8.521 6.688 1.828 354 2HB MET 49 1HB MET 49 -8.704 8.384 1.403 355 1HG MET 49 2HG MET 49 -7.401 7.459 -0.775 356 2HG MET 49 1HG MET 49 -8.325 6.032 -0.310 357 1HE MET 49 1HE MET 49 -9.687 9.450 -2.730 358 2HE MET 49 2HE MET 49 -8.863 7.965 -3.206 359 3HE MET 49 3HE MET 49 -8.073 9.101 -2.111 360 H LYS 50 H LYS 50 -6.717 7.240 4.126 361 HA LYS 50 HA LYS 50 -7.130 9.989 4.977 362 1HB LYS 50 2HB LYS 50 -8.444 8.134 5.967 363 2HB LYS 50 1HB LYS 50 -6.959 7.461 6.624 364 1HG LYS 50 2HG LYS 50 -6.643 9.461 7.984 365 2HG LYS 50 1HG LYS 50 -8.125 10.151 7.316 366 1HD LYS 50 2HD LYS 50 -8.672 9.218 9.439 367 2HD LYS 50 1HD LYS 50 -9.344 8.146 8.209 368 1HE LYS 50 2HE LYS 50 -8.324 6.505 9.336 369 2HE LYS 50 1HE LYS 50 -6.842 7.102 8.588 370 1HZ LYS 50 1HZ LYS 50 -6.124 7.992 10.512 371 2HZ LYS 50 2HZ LYS 50 -7.149 6.840 11.209 372 3HZ LYS 50 3HZ LYS 50 -7.672 8.439 11.033 373 H ARG 51 H ARG 51 -4.464 8.228 4.203 374 HA ARG 51 HA ARG 51 -2.834 9.333 6.377 375 1HB ARG 51 2HB ARG 51 -2.815 6.827 5.492 376 2HB ARG 51 1HB ARG 51 -1.674 7.501 4.337 377 1HG ARG 51 2HG ARG 51 -0.436 6.608 6.162 378 2HG ARG 51 1HG ARG 51 -0.346 8.368 6.256 379 1HD ARG 51 2HD ARG 51 -0.732 7.335 8.454 380 2HD ARG 51 1HD ARG 51 -2.055 8.396 7.972 381 HE ARG 51 HE ARG 51 -2.543 5.685 7.239 382 1HH1 ARG 51 1HH1 ARG 51 -2.639 7.915 9.922 383 2HH1 ARG 51 2HH1 ARG 51 -3.863 7.032 10.773 384 1HH2 ARG 51 1HH2 ARG 51 -4.151 4.524 8.355 385 2HH2 ARG 51 2HH2 ARG 51 -4.723 5.109 9.882 386 H CYS 52 H CYS 52 -2.735 8.988 2.819 387 HA CYS 52 HA CYS 52 -1.029 11.392 2.759 388 1HB CYS 52 2HB CYS 52 -0.393 8.931 1.788 389 2HB CYS 52 1HB CYS 52 -1.074 9.690 0.353 390 H ALA 53 H ALA 53 -3.986 9.987 1.632 391 HA ALA 53 HA ALA 53 -4.348 11.968 -0.454 392 1HB ALA 53 1HB ALA 53 -6.594 10.240 0.425 393 2HB ALA 53 2HB ALA 53 -5.204 9.469 -0.339 394 3HB ALA 53 3HB ALA 53 -6.099 10.721 -1.198 395 H LYS 54 H LYS 54 -4.830 11.846 2.881 396 HA LYS 54 HA LYS 54 -6.931 13.898 2.746 397 1HB LYS 54 2HB LYS 54 -6.313 11.749 4.689 398 2HB LYS 54 1HB LYS 54 -6.868 13.273 5.366 399 1HG LYS 54 2HG LYS 54 -8.629 12.790 3.288 400 2HG LYS 54 1HG LYS 54 -8.354 11.199 3.997 401 1HD LYS 54 2HD LYS 54 -9.403 11.735 5.924 402 2HD LYS 54 1HD LYS 54 -8.785 13.387 5.921 403 1HE LYS 54 2HE LYS 54 -10.503 14.167 4.590 404 2HE LYS 54 1HE LYS 54 -10.838 12.575 3.910 405 1HZ LYS 54 1HZ LYS 54 -11.304 13.088 6.774 406 2HZ LYS 54 2HZ LYS 54 -12.029 11.942 5.763 407 3HZ LYS 54 3HZ LYS 54 -12.452 13.574 5.630 408 H ALA 55 H ALA 55 -4.067 13.036 4.690 409 HA ALA 55 HA ALA 55 -3.735 15.572 5.852 410 1HB ALA 55 1HB ALA 55 -2.533 14.049 7.023 411 2HB ALA 55 2HB ALA 55 -1.241 14.626 5.971 412 3HB ALA 55 3HB ALA 55 -2.090 13.128 5.586 Start of MODEL 11 1 1H ILE 1 1H ILE 1 6.444 14.207 6.558 2 2H ILE 1 2H ILE 1 6.845 14.535 4.921 3 3H ILE 1 3H ILE 1 8.022 13.873 5.980 4 HA ILE 1 HA ILE 1 6.996 11.850 6.079 5 HB ILE 1 HB ILE 1 4.704 12.785 6.349 6 1HG1 ILE 1 2HG1 ILE 1 5.194 10.347 5.941 7 2HG1 ILE 1 1HG1 ILE 1 3.568 10.861 5.510 8 1HG2 ILE 1 1HG2 ILE 1 4.082 12.655 3.492 9 2HG2 ILE 1 2HG2 ILE 1 5.118 14.002 3.958 10 3HG2 ILE 1 3HG2 ILE 1 3.546 13.794 4.727 11 1HD1 ILE 1 1HD1 ILE 1 4.145 9.522 3.738 12 2HD1 ILE 1 2HD1 ILE 1 5.828 10.051 3.747 13 3HD1 ILE 1 3HD1 ILE 1 4.571 11.121 3.129 14 H ASP 2 H ASP 2 8.403 10.877 4.772 15 HA ASP 2 HA ASP 2 8.292 11.469 1.894 16 1HB ASP 2 2HB ASP 2 10.617 10.437 1.880 17 2HB ASP 2 1HB ASP 2 10.459 11.992 2.690 18 H THR 3 H THR 3 7.532 9.112 4.180 19 HA THR 3 HA THR 3 8.157 6.701 2.998 20 HB THR 3 HB THR 3 5.618 7.422 4.473 21 HG1 THR 3 HG1 THR 3 8.173 6.582 5.333 22 1HG2 THR 3 1HG2 THR 3 5.686 5.029 5.191 23 2HG2 THR 3 2HG2 THR 3 6.884 4.754 3.926 24 3HG2 THR 3 3HG2 THR 3 5.260 5.293 3.500 25 H CYS 4 H CYS 4 5.796 9.053 2.020 26 HA CYS 4 HA CYS 4 4.263 7.316 0.354 27 1HB CYS 4 2HB CYS 4 4.232 10.105 1.121 28 2HB CYS 4 1HB CYS 4 3.962 9.933 -0.610 29 H ARG 5 H ARG 5 7.356 8.607 0.037 30 HA ARG 5 HA ARG 5 7.274 8.804 -2.862 31 1HB ARG 5 2HB ARG 5 9.501 9.224 -0.867 32 2HB ARG 5 1HB ARG 5 9.697 9.396 -2.605 33 1HG ARG 5 2HG ARG 5 8.728 11.412 -2.637 34 2HG ARG 5 1HG ARG 5 7.465 10.931 -1.503 35 1HD ARG 5 2HD ARG 5 9.342 11.018 0.268 36 2HD ARG 5 1HD ARG 5 10.222 11.961 -0.934 37 HE ARG 5 HE ARG 5 7.920 12.798 0.600 38 1HH1 ARG 5 1HH1 ARG 5 9.903 13.401 -2.211 39 2HH1 ARG 5 2HH1 ARG 5 9.437 15.064 -2.336 40 1HH2 ARG 5 1HH2 ARG 5 7.308 14.983 0.434 41 2HH2 ARG 5 2HH2 ARG 5 7.965 15.963 -0.834 42 H LEU 6 H LEU 6 8.164 6.530 -0.411 43 HA LEU 6 HA LEU 6 9.560 4.862 -2.380 44 1HB LEU 6 2HB LEU 6 9.992 3.460 -0.219 45 2HB LEU 6 1HB LEU 6 10.933 4.904 -0.545 46 HG LEU 6 HG LEU 6 8.478 5.231 1.095 47 1HD1 LEU 6 1HD1 LEU 6 9.286 3.288 2.160 48 2HD1 LEU 6 2HD1 LEU 6 9.857 4.645 3.129 49 3HD1 LEU 6 3HD1 LEU 6 10.962 3.821 2.029 50 1HD2 LEU 6 1HD2 LEU 6 9.765 7.180 0.593 51 2HD2 LEU 6 2HD2 LEU 6 11.257 6.393 1.105 52 3HD2 LEU 6 3HD2 LEU 6 10.017 6.791 2.294 53 HA PRO 7 HA PRO 7 5.561 2.732 -2.589 54 1HB PRO 7 2HB PRO 7 6.291 1.064 -4.627 55 2HB PRO 7 1HB PRO 7 5.724 2.720 -4.872 56 1HG PRO 7 2HG PRO 7 8.524 1.664 -4.815 57 2HG PRO 7 1HG PRO 7 7.795 2.849 -5.915 58 1HD PRO 7 2HD PRO 7 9.360 3.588 -3.851 59 2HD PRO 7 1HD PRO 7 7.983 4.572 -4.387 60 H SER 8 H SER 8 4.859 0.528 -2.286 61 HA SER 8 HA SER 8 6.861 -1.093 -0.864 62 1HB SER 8 2HB SER 8 3.891 -0.772 -0.478 63 2HB SER 8 1HB SER 8 4.768 -2.145 0.197 64 HG SER 8 HG SER 8 6.107 -0.623 1.290 65 H ASP 9 H ASP 9 6.609 -3.436 -0.973 66 HA ASP 9 HA ASP 9 5.733 -4.267 -3.650 67 1HB ASP 9 2HB ASP 9 8.149 -4.648 -2.450 68 2HB ASP 9 1HB ASP 9 7.329 -6.150 -2.034 69 H ARG 10 H ARG 10 4.504 -6.166 -3.920 70 HA ARG 10 HA ARG 10 2.758 -6.741 -1.667 71 1HB ARG 10 2HB ARG 10 1.435 -7.972 -3.373 72 2HB ARG 10 1HB ARG 10 1.683 -6.280 -3.760 73 1HG ARG 10 2HG ARG 10 2.347 -6.966 -5.763 74 2HG ARG 10 1HG ARG 10 3.817 -7.536 -4.974 75 1HD ARG 10 2HD ARG 10 3.111 -9.424 -6.088 76 2HD ARG 10 1HD ARG 10 2.416 -9.667 -4.486 77 HE ARG 10 HE ARG 10 0.377 -8.526 -5.638 78 1HH1 ARG 10 1HH1 ARG 10 2.539 -10.901 -7.017 79 2HH1 ARG 10 2HH1 ARG 10 1.352 -11.532 -8.107 80 1HH2 ARG 10 1HH2 ARG 10 -1.186 -9.365 -7.086 81 2HH2 ARG 10 2HH2 ARG 10 -0.756 -10.663 -8.146 82 HN2 GLY 11 H GLY 11 5.629 -7.959 -2.655 83 1HA GLY 11 2HA GLY 11 6.694 -9.981 -2.430 84 2HA GLY 11 1HA GLY 11 5.681 -10.128 -1.004 85 H ARG 12 H ARG 12 6.198 -11.154 -4.266 86 HA ARG 12 HA ARG 12 3.770 -12.486 -4.738 87 1HB ARG 12 2HB ARG 12 6.012 -12.067 -6.198 88 2HB ARG 12 1HB ARG 12 6.233 -13.759 -5.772 89 1HG ARG 12 2HG ARG 12 3.664 -13.807 -6.575 90 2HG ARG 12 1HG ARG 12 4.288 -12.499 -7.582 91 1HD ARG 12 2HD ARG 12 6.132 -14.712 -7.529 92 2HD ARG 12 1HD ARG 12 4.528 -15.253 -8.021 93 HE ARG 12 HE ARG 12 4.768 -14.087 -9.981 94 1HH1 ARG 12 1HH1 ARG 12 7.236 -13.062 -7.736 95 2HH1 ARG 12 2HH1 ARG 12 8.099 -12.134 -8.915 96 1HH2 ARG 12 1HH2 ARG 12 5.901 -12.867 -11.534 97 2HH2 ARG 12 2HH2 ARG 12 7.341 -12.022 -11.072 98 H CYS 13 H CYS 13 6.291 -13.126 -2.555 99 HA CYS 13 HA CYS 13 6.716 -15.690 -2.176 100 1HB CYS 13 2HB CYS 13 6.092 -15.164 0.392 101 2HB CYS 13 1HB CYS 13 7.554 -14.576 -0.389 102 H LYS 14 H LYS 14 4.038 -14.646 -0.107 103 HA LYS 14 HA LYS 14 2.638 -17.119 -0.872 104 1HB LYS 14 2HB LYS 14 3.161 -15.821 1.698 105 2HB LYS 14 1HB LYS 14 1.483 -16.304 1.493 106 1HG LYS 14 2HG LYS 14 2.600 -18.097 2.554 107 2HG LYS 14 1HG LYS 14 2.313 -18.588 0.884 108 1HD LYS 14 2HD LYS 14 4.574 -18.224 0.289 109 2HD LYS 14 1HD LYS 14 4.902 -17.352 1.788 110 1HE LYS 14 2HE LYS 14 4.310 -20.293 1.485 111 2HE LYS 14 1HE LYS 14 5.850 -19.561 1.933 112 1HZ LYS 14 1HZ LYS 14 4.482 -18.576 3.871 113 2HZ LYS 14 2HZ LYS 14 4.987 -20.188 3.956 114 3HZ LYS 14 3HZ LYS 14 3.392 -19.824 3.529 115 H ALA 15 H ALA 15 2.090 -15.288 -2.663 116 HA ALA 15 HA ALA 15 0.223 -13.311 -2.246 117 1HB ALA 15 1HB ALA 15 -0.625 -14.206 -4.619 118 2HB ALA 15 2HB ALA 15 0.919 -15.054 -4.527 119 3HB ALA 15 3HB ALA 15 0.871 -13.295 -4.415 120 H SER 16 H SER 16 -1.859 -13.230 -1.629 121 HA SER 16 HA SER 16 -3.751 -15.263 -2.212 122 1HB SER 16 2HB SER 16 -2.377 -15.340 0.426 123 2HB SER 16 1HB SER 16 -4.116 -15.635 0.407 124 HG SER 16 HG SER 16 -3.815 -17.396 -0.853 125 H PHE 17 H PHE 17 -2.894 -12.496 -0.182 126 HA PHE 17 HA PHE 17 -5.729 -11.716 -0.140 127 1HB PHE 17 2HB PHE 17 -3.435 -10.830 1.622 128 2HB PHE 17 1HB PHE 17 -5.072 -10.190 1.717 129 HD1 PHE 17 HD1 PHE 17 -3.239 -13.432 1.835 130 HD2 PHE 17 HD2 PHE 17 -6.551 -11.137 3.203 131 HE1 PHE 17 HE1 PHE 17 -3.848 -15.242 3.386 132 HE2 PHE 17 HE2 PHE 17 -7.167 -12.944 4.757 133 HZ PHE 17 HZ PHE 17 -5.813 -14.999 4.850 134 H GLU 18 H GLU 18 -6.012 -9.252 -0.087 135 HA GLU 18 HA GLU 18 -4.288 -8.079 -2.166 136 1HB GLU 18 2HB GLU 18 -7.221 -8.177 -1.851 137 2HB GLU 18 1HB GLU 18 -6.576 -6.609 -2.320 138 1HG GLU 18 2HG GLU 18 -5.351 -7.804 -4.171 139 2HG GLU 18 1HG GLU 18 -6.317 -9.223 -3.773 140 H ARG 19 H ARG 19 -3.614 -5.953 -1.932 141 HA ARG 19 HA ARG 19 -4.419 -4.527 0.495 142 1HB ARG 19 2HB ARG 19 -1.635 -5.416 -0.183 143 2HB ARG 19 1HB ARG 19 -1.899 -3.979 0.792 144 1HG ARG 19 2HG ARG 19 -3.462 -5.656 2.137 145 2HG ARG 19 1HG ARG 19 -2.336 -6.829 1.453 146 1HD ARG 19 2HD ARG 19 -0.487 -5.823 2.503 147 2HD ARG 19 1HD ARG 19 -1.394 -4.356 2.874 148 HE ARG 19 HE ARG 19 -2.742 -6.231 4.250 149 1HH1 ARG 19 1HH1 ARG 19 0.657 -5.454 4.068 150 2HH1 ARG 19 2HH1 ARG 19 0.991 -5.981 5.683 151 1HH2 ARG 19 1HH2 ARG 19 -2.303 -6.925 6.373 152 2HH2 ARG 19 2HH2 ARG 19 -0.689 -6.818 6.992 153 H TRP 20 H TRP 20 -3.414 -2.277 0.539 154 HA TRP 20 HA TRP 20 -3.337 -1.192 -2.200 155 1HB TRP 20 2HB TRP 20 -4.593 -0.049 0.295 156 2HB TRP 20 1HB TRP 20 -4.306 0.905 -1.156 157 HD1 TRP 20 HD1 TRP 20 -6.391 -2.099 0.058 158 HE1 TRP 20 HE1 TRP 20 -8.434 -2.337 -1.479 159 HE3 TRP 20 HE3 TRP 20 -5.212 1.467 -3.409 160 HZ2 TRP 20 HZ2 TRP 20 -9.417 -1.173 -3.849 161 HZ3 TRP 20 HZ3 TRP 20 -6.759 1.842 -5.284 162 HH2 TRP 20 HH2 TRP 20 -8.820 0.547 -5.500 163 H TYR 21 H TYR 21 -2.016 0.630 -2.580 164 HA TYR 21 HA TYR 21 -0.053 1.301 -0.500 165 1HB TYR 21 2HB TYR 21 1.645 1.239 -2.538 166 2HB TYR 21 1HB TYR 21 1.298 -0.217 -1.609 167 HD1 TYR 21 HD1 TYR 21 -0.807 -1.565 -2.511 168 HD2 TYR 21 HD2 TYR 21 1.579 1.062 -4.848 169 HE1 TYR 21 HE1 TYR 21 -1.598 -2.666 -4.538 170 HE2 TYR 21 HE2 TYR 21 0.789 -0.045 -6.899 171 HH TYR 21 HH TYR 21 -0.211 -2.461 -7.446 172 H PHE 22 H PHE 22 1.107 3.299 -0.939 173 HA PHE 22 HA PHE 22 -0.599 5.199 -2.328 174 1HB PHE 22 2HB PHE 22 0.756 5.390 0.010 175 2HB PHE 22 1HB PHE 22 1.910 6.147 -1.083 176 HD1 PHE 22 HD1 PHE 22 1.065 8.047 -2.561 177 HD2 PHE 22 HD2 PHE 22 -1.062 6.583 0.819 178 HE1 PHE 22 HE1 PHE 22 -0.217 10.145 -2.465 179 HE2 PHE 22 HE2 PHE 22 -2.348 8.678 0.922 180 HZ PHE 22 HZ PHE 22 -1.926 10.463 -0.722 181 H ASN 23 H ASN 23 -0.308 5.394 -4.446 182 HA ASN 23 HA ASN 23 2.330 5.029 -5.615 183 1HB ASN 23 2HB ASN 23 -0.004 4.193 -6.531 184 2HB ASN 23 1HB ASN 23 -0.059 5.805 -7.236 185 1HD2 ASN 23 1HD2 ASN 23 2.148 6.412 -8.277 186 2HD2 ASN 23 2HD2 ASN 23 2.797 5.214 -9.339 187 HN2 GLY 24 H GLY 24 2.536 7.171 -4.080 188 1HA GLY 24 2HA GLY 24 3.308 9.335 -4.159 189 2HA GLY 24 1HA GLY 24 3.203 9.243 -5.910 190 H ARG 25 H ARG 25 0.818 9.245 -6.709 191 HA ARG 25 HA ARG 25 -0.520 11.473 -5.332 192 1HB ARG 25 2HB ARG 25 0.184 12.047 -7.570 193 2HB ARG 25 1HB ARG 25 -0.584 10.608 -8.226 194 1HG ARG 25 2HG ARG 25 -2.297 12.528 -6.753 195 2HG ARG 25 1HG ARG 25 -1.713 12.996 -8.353 196 1HD ARG 25 2HD ARG 25 -2.811 10.266 -8.102 197 2HD ARG 25 1HD ARG 25 -3.967 11.588 -7.944 198 HE ARG 25 HE ARG 25 -2.349 12.022 -10.205 199 1HH1 ARG 25 1HH1 ARG 25 -4.907 9.931 -9.081 200 2HH1 ARG 25 2HH1 ARG 25 -5.531 9.632 -10.668 201 1HH2 ARG 25 1HH2 ARG 25 -3.167 11.630 -12.295 202 2HH2 ARG 25 2HH2 ARG 25 -4.543 10.596 -12.494 203 H THR 26 H THR 26 -1.176 8.438 -7.066 204 HA THR 26 HA THR 26 -3.803 8.349 -5.732 205 HB THR 26 HB THR 26 -3.939 8.438 -8.186 206 HG1 THR 26 HG1 THR 26 -5.399 7.104 -6.862 207 1HG2 THR 26 1HG2 THR 26 -2.344 5.894 -8.094 208 2HG2 THR 26 2HG2 THR 26 -1.914 7.406 -8.895 209 3HG2 THR 26 3HG2 THR 26 -3.264 6.442 -9.495 210 H CYS 27 H CYS 27 -4.600 6.175 -5.177 211 HA CYS 27 HA CYS 27 -2.407 4.552 -4.107 212 1HB CYS 27 2HB CYS 27 -5.182 5.133 -3.249 213 2HB CYS 27 1HB CYS 27 -4.604 3.499 -2.940 214 H ALA 28 H ALA 28 -1.849 2.809 -5.187 215 HA ALA 28 HA ALA 28 -3.683 1.593 -7.086 216 1HB ALA 28 1HB ALA 28 -1.485 0.130 -7.407 217 2HB ALA 28 2HB ALA 28 -0.755 1.562 -6.677 218 3HB ALA 28 3HB ALA 28 -1.696 1.709 -8.160 219 H LYS 29 H LYS 29 -3.345 -0.976 -7.180 220 HA LYS 29 HA LYS 29 -3.477 -2.074 -4.473 221 1HB LYS 29 2HB LYS 29 -5.779 -1.495 -5.078 222 2HB LYS 29 1HB LYS 29 -5.641 -2.453 -6.546 223 1HG LYS 29 2HG LYS 29 -5.164 -4.431 -5.025 224 2HG LYS 29 1HG LYS 29 -5.715 -3.402 -3.702 225 1HD LYS 29 2HD LYS 29 -7.661 -3.129 -5.680 226 2HD LYS 29 1HD LYS 29 -7.251 -4.845 -5.683 227 1HE LYS 29 2HE LYS 29 -7.529 -4.775 -3.167 228 2HE LYS 29 1HE LYS 29 -8.237 -3.175 -3.384 229 1HZ LYS 29 1HZ LYS 29 -9.884 -4.999 -3.270 230 2HZ LYS 29 2HZ LYS 29 -9.252 -5.632 -4.705 231 3HZ LYS 29 3HZ LYS 29 -9.977 -4.104 -4.703 232 H PHE 30 H PHE 30 -3.010 -4.234 -4.278 233 HA PHE 30 HA PHE 30 -2.570 -5.899 -6.585 234 1HB PHE 30 2HB PHE 30 -0.158 -6.344 -5.934 235 2HB PHE 30 1HB PHE 30 -0.471 -4.797 -6.704 236 HD1 PHE 30 HD2 PHE 30 -1.515 -5.024 -3.249 237 HD2 PHE 30 HD1 PHE 30 1.775 -4.167 -5.813 238 HE1 PHE 30 HE2 PHE 30 -0.373 -3.891 -1.397 239 HE2 PHE 30 HE1 PHE 30 2.921 -3.031 -3.960 240 HZ PHE 30 HZ PHE 30 1.848 -2.891 -1.749 241 H ILE 31 H ILE 31 -1.455 -8.050 -5.760 242 HA ILE 31 HA ILE 31 -3.019 -8.865 -3.438 243 HB ILE 31 HB ILE 31 -1.395 -10.546 -5.347 244 1HG1 ILE 31 2HG1 ILE 31 -4.182 -9.510 -5.394 245 2HG1 ILE 31 1HG1 ILE 31 -3.085 -9.841 -6.728 246 1HG2 ILE 31 1HG2 ILE 31 -1.832 -11.457 -3.019 247 2HG2 ILE 31 2HG2 ILE 31 -2.384 -12.455 -4.365 248 3HG2 ILE 31 3HG2 ILE 31 -3.540 -11.482 -3.457 249 1HD1 ILE 31 1HD1 ILE 31 -4.663 -11.865 -5.162 250 2HD1 ILE 31 2HD1 ILE 31 -3.514 -12.246 -6.444 251 3HD1 ILE 31 3HD1 ILE 31 -4.974 -11.328 -6.812 252 H TYR 32 H TYR 32 -2.116 -8.792 -1.497 253 HA TYR 32 HA TYR 32 0.774 -8.719 -1.221 254 1HB TYR 32 2HB TYR 32 -0.776 -7.171 0.022 255 2HB TYR 32 1HB TYR 32 -1.326 -8.562 0.948 256 HD1 TYR 32 HD2 TYR 32 0.266 -9.730 2.471 257 HD2 TYR 32 HD1 TYR 32 1.278 -6.086 0.522 258 HE1 TYR 32 HE2 TYR 32 2.100 -9.388 4.073 259 HE2 TYR 32 HE1 TYR 32 3.114 -5.736 2.119 260 HH TYR 32 HH TYR 32 4.168 -8.190 4.277 261 HN2 GLY 33 H GLY 33 1.762 -10.618 -1.285 262 1HA GLY 33 2HA GLY 33 0.504 -13.025 -0.320 263 2HA GLY 33 1HA GLY 33 2.111 -12.895 -1.015 264 HN2 GLY 34 H GLY 34 2.871 -10.761 0.915 265 1HA GLY 34 2HA GLY 34 2.670 -11.160 3.533 266 2HA GLY 34 1HA GLY 34 3.590 -12.583 3.078 267 H CYS 35 H CYS 35 4.765 -10.614 0.890 268 HA CYS 35 HA CYS 35 6.814 -9.546 2.713 269 1HB CYS 35 2HB CYS 35 7.242 -10.067 -0.225 270 2HB CYS 35 1HB CYS 35 8.448 -9.846 1.030 271 HN2 GLY 36 H GLY 36 5.897 -7.582 3.128 272 1HA GLY 36 2HA GLY 36 4.801 -5.875 1.148 273 2HA GLY 36 1HA GLY 36 5.232 -5.415 2.783 274 HN2 GLY 37 H GLY 37 6.433 -3.648 2.654 275 1HA GLY 37 2HA GLY 37 8.906 -3.770 1.100 276 2HA GLY 37 1HA GLY 37 7.793 -2.459 0.733 277 H ASN 38 H ASN 38 6.953 -1.433 2.972 278 HA ASN 38 HA ASN 38 8.829 -1.298 5.087 279 1HB ASN 38 2HB ASN 38 9.255 1.282 4.508 280 2HB ASN 38 1HB ASN 38 10.342 0.001 3.984 281 1HD2 ASN 38 1HD2 ASN 38 11.044 0.500 2.039 282 2HD2 ASN 38 2HD2 ASN 38 10.073 1.036 0.714 283 HN2 GLY 39 H GLY 39 7.151 1.515 3.734 284 1HA GLY 39 2HA GLY 39 5.120 1.241 5.851 285 2HA GLY 39 1HA GLY 39 5.999 2.747 5.657 286 H ASN 40 H ASN 40 5.602 1.536 2.611 287 HA ASN 40 HA ASN 40 3.415 3.380 2.096 288 1HB ASN 40 2HB ASN 40 5.391 3.472 0.664 289 2HB ASN 40 1HB ASN 40 5.164 1.787 0.209 290 1HD2 ASN 40 1HD2 ASN 40 4.243 5.035 -0.340 291 2HD2 ASN 40 2HD2 ASN 40 3.147 4.739 -1.642 292 H LYS 41 H LYS 41 3.545 0.230 2.993 293 HA LYS 41 HA LYS 41 1.499 -0.755 1.175 294 1HB LYS 41 2HB LYS 41 1.714 -2.864 2.449 295 2HB LYS 41 1HB LYS 41 3.254 -2.303 1.810 296 1HG LYS 41 2HG LYS 41 2.606 -1.419 4.544 297 2HG LYS 41 1HG LYS 41 2.892 -3.149 4.335 298 1HD LYS 41 2HD LYS 41 4.944 -2.109 2.899 299 2HD LYS 41 1HD LYS 41 4.760 -0.883 4.154 300 1HE LYS 41 2HE LYS 41 5.342 -3.814 4.474 301 2HE LYS 41 1HE LYS 41 6.316 -2.442 5.000 302 1HZ LYS 41 1HZ LYS 41 4.024 -3.683 6.275 303 2HZ LYS 41 2HZ LYS 41 4.059 -1.994 6.337 304 3HZ LYS 41 3HZ LYS 41 5.351 -2.889 6.963 305 H PHE 42 H PHE 42 -0.594 -1.283 1.766 306 HA PHE 42 HA PHE 42 -1.502 -0.744 4.474 307 1HB PHE 42 2HB PHE 42 -2.449 0.829 2.076 308 2HB PHE 42 1HB PHE 42 -3.353 0.741 3.584 309 HD1 PHE 42 HD2 PHE 42 -2.176 1.515 5.713 310 HD2 PHE 42 HD1 PHE 42 -0.760 2.399 1.798 311 HE1 PHE 42 HE2 PHE 42 -0.850 3.381 6.617 312 HE2 PHE 42 HE1 PHE 42 0.569 4.265 2.695 313 HZ PHE 42 HZ PHE 42 0.524 4.759 5.108 314 HA PRO 43 HA PRO 43 -4.313 -3.998 3.484 315 1HB PRO 43 2HB PRO 43 -6.337 -3.548 5.201 316 2HB PRO 43 1HB PRO 43 -4.737 -4.058 5.750 317 1HG PRO 43 2HG PRO 43 -5.949 -1.323 5.728 318 2HG PRO 43 1HG PRO 43 -4.982 -2.108 6.989 319 1HD PRO 43 2HD PRO 43 -3.966 -0.299 5.206 320 2HD PRO 43 1HD PRO 43 -2.999 -1.577 5.968 321 H THR 44 H THR 44 -5.978 -0.854 3.802 322 HA THR 44 HA THR 44 -7.631 -1.606 1.482 323 HB THR 44 HB THR 44 -9.296 0.084 2.581 324 HG1 THR 44 HG1 THR 44 -9.145 0.066 4.845 325 1HG2 THR 44 1HG2 THR 44 -8.894 -2.649 3.773 326 2HG2 THR 44 2HG2 THR 44 -9.828 -2.269 2.326 327 3HG2 THR 44 3HG2 THR 44 -10.356 -1.669 3.899 328 H GLN 45 H GLN 45 -8.688 0.469 0.521 329 HA GLN 45 HA GLN 45 -6.530 2.153 -0.329 330 1HB GLN 45 2HB GLN 45 -8.320 1.418 -1.865 331 2HB GLN 45 1HB GLN 45 -9.486 2.350 -0.936 332 1HG GLN 45 2HG GLN 45 -7.722 4.284 -1.475 333 2HG GLN 45 1HG GLN 45 -7.446 3.244 -2.872 334 1HE2 GLN 45 1HE2 GLN 45 -8.367 5.671 -3.389 335 2HE2 GLN 45 2HE2 GLN 45 -10.036 5.639 -3.831 336 H GLU 46 H GLU 46 -9.218 2.425 1.885 337 HA GLU 46 HA GLU 46 -9.151 5.247 2.177 338 1HB GLU 46 2HB GLU 46 -10.882 3.334 2.965 339 2HB GLU 46 1HB GLU 46 -10.028 3.600 4.479 340 1HG GLU 46 2HG GLU 46 -11.531 5.214 4.802 341 2HG GLU 46 1HG GLU 46 -10.529 6.151 3.694 342 H ALA 47 H ALA 47 -7.399 2.607 3.643 343 HA ALA 47 HA ALA 47 -6.345 4.018 5.858 344 1HB ALA 47 1HB ALA 47 -6.366 1.592 5.788 345 2HB ALA 47 2HB ALA 47 -4.718 2.184 5.991 346 3HB ALA 47 3HB ALA 47 -5.258 1.603 4.417 347 H CYS 48 H CYS 48 -4.860 3.163 2.726 348 HA CYS 48 HA CYS 48 -2.461 4.539 3.118 349 1HB CYS 48 2HB CYS 48 -2.122 4.346 0.733 350 2HB CYS 48 1HB CYS 48 -2.868 2.866 1.322 351 H MET 49 H MET 49 -5.607 5.670 2.130 352 HA MET 49 HA MET 49 -4.605 8.254 1.288 353 1HB MET 49 2HB MET 49 -7.396 7.134 1.547 354 2HB MET 49 1HB MET 49 -7.057 8.779 1.026 355 1HG MET 49 2HG MET 49 -5.699 6.571 -0.408 356 2HG MET 49 1HG MET 49 -7.425 6.796 -0.683 357 1HE MET 49 1HE MET 49 -6.755 7.407 -3.487 358 2HE MET 49 2HE MET 49 -7.387 9.053 -3.518 359 3HE MET 49 3HE MET 49 -8.168 7.828 -2.518 360 H LYS 50 H LYS 50 -6.119 6.819 4.098 361 HA LYS 50 HA LYS 50 -6.501 9.412 5.357 362 1HB LYS 50 2HB LYS 50 -7.636 8.248 7.102 363 2HB LYS 50 1HB LYS 50 -8.173 7.558 5.577 364 1HG LYS 50 2HG LYS 50 -7.692 5.561 6.403 365 2HG LYS 50 1HG LYS 50 -5.987 6.007 6.334 366 1HD LYS 50 2HD LYS 50 -5.915 6.588 8.577 367 2HD LYS 50 1HD LYS 50 -7.660 6.833 8.671 368 1HE LYS 50 2HE LYS 50 -8.100 4.554 8.791 369 2HE LYS 50 1HE LYS 50 -6.536 4.118 8.104 370 1HZ LYS 50 1HZ LYS 50 -6.163 3.652 10.283 371 2HZ LYS 50 2HZ LYS 50 -7.223 4.840 10.855 372 3HZ LYS 50 3HZ LYS 50 -5.691 5.277 10.287 373 H ARG 51 H ARG 51 -3.880 7.488 4.930 374 HA ARG 51 HA ARG 51 -2.797 8.051 7.606 375 1HB ARG 51 2HB ARG 51 -2.053 5.996 5.535 376 2HB ARG 51 1HB ARG 51 -1.012 6.372 6.899 377 1HG ARG 51 2HG ARG 51 -3.866 5.625 7.361 378 2HG ARG 51 1HG ARG 51 -2.658 4.379 7.047 379 1HD ARG 51 2HD ARG 51 -2.212 4.439 9.230 380 2HD ARG 51 1HD ARG 51 -1.450 6.001 8.931 381 HE ARG 51 HE ARG 51 -4.051 6.645 9.278 382 1HH1 ARG 51 1HH1 ARG 51 -1.793 4.763 11.159 383 2HH1 ARG 51 2HH1 ARG 51 -2.541 5.148 12.672 384 1HH2 ARG 51 1HH2 ARG 51 -5.036 7.153 11.269 385 2HH2 ARG 51 2HH2 ARG 51 -4.381 6.505 12.736 386 H CYS 52 H CYS 52 -2.110 8.362 4.145 387 HA CYS 52 HA CYS 52 0.116 10.164 4.843 388 1HB CYS 52 2HB CYS 52 0.724 8.099 3.570 389 2HB CYS 52 1HB CYS 52 -0.271 8.682 2.239 390 H ALA 53 H ALA 53 -2.860 9.858 3.059 391 HA ALA 53 HA ALA 53 -2.464 12.339 1.621 392 1HB ALA 53 1HB ALA 53 -3.975 10.109 1.134 393 2HB ALA 53 2HB ALA 53 -4.133 11.656 0.302 394 3HB ALA 53 3HB ALA 53 -5.183 11.279 1.667 395 H LYS 54 H LYS 54 -3.943 11.282 4.577 396 HA LYS 54 HA LYS 54 -5.455 13.738 4.894 397 1HB LYS 54 2HB LYS 54 -5.794 11.163 5.831 398 2HB LYS 54 1HB LYS 54 -5.226 12.028 7.253 399 1HG LYS 54 2HG LYS 54 -7.208 12.968 7.549 400 2HG LYS 54 1HG LYS 54 -7.231 13.569 5.891 401 1HD LYS 54 2HD LYS 54 -7.759 10.683 6.252 402 2HD LYS 54 1HD LYS 54 -9.003 11.788 6.842 403 1HE LYS 54 2HE LYS 54 -7.917 12.377 4.164 404 2HE LYS 54 1HE LYS 54 -8.863 10.895 4.300 405 1HZ LYS 54 1HZ LYS 54 -9.797 13.572 5.182 406 2HZ LYS 54 2HZ LYS 54 -10.704 12.145 5.160 407 3HZ LYS 54 3HZ LYS 54 -10.205 12.850 3.707 408 H ALA 55 H ALA 55 -3.204 12.064 7.093 409 HA ALA 55 HA ALA 55 -2.487 14.515 8.386 410 1HB ALA 55 1HB ALA 55 -1.499 13.221 9.958 411 2HB ALA 55 2HB ALA 55 -0.789 12.128 8.771 412 3HB ALA 55 3HB ALA 55 -2.490 11.970 9.210 Start of MODEL 12 1 1H ILE 1 1H ILE 1 5.106 11.325 4.460 2 2H ILE 1 2H ILE 1 4.107 12.710 4.628 3 3H ILE 1 3H ILE 1 5.813 12.859 4.748 4 HA ILE 1 HA ILE 1 4.160 12.308 2.394 5 HB ILE 1 HB ILE 1 4.586 14.657 2.994 6 1HG1 ILE 1 2HG1 ILE 1 5.619 15.339 0.812 7 2HG1 ILE 1 1HG1 ILE 1 6.019 13.648 0.529 8 1HG2 ILE 1 1HG2 ILE 1 7.322 14.924 2.322 9 2HG2 ILE 1 2HG2 ILE 1 7.197 13.678 3.562 10 3HG2 ILE 1 3HG2 ILE 1 6.530 15.282 3.856 11 1HD1 ILE 1 1HD1 ILE 1 3.673 14.974 -0.166 12 2HD1 ILE 1 2HD1 ILE 1 3.236 13.929 1.187 13 3HD1 ILE 1 3HD1 ILE 1 3.990 13.241 -0.252 14 H ASP 2 H ASP 2 7.224 11.710 3.923 15 HA ASP 2 HA ASP 2 8.615 10.980 1.528 16 1HB ASP 2 2HB ASP 2 9.206 10.668 4.462 17 2HB ASP 2 1HB ASP 2 10.248 9.957 3.233 18 H THR 3 H THR 3 6.268 9.439 3.406 19 HA THR 3 HA THR 3 7.202 6.745 2.833 20 HB THR 3 HB THR 3 4.590 7.558 4.108 21 HG1 THR 3 HG1 THR 3 5.595 7.767 5.975 22 1HG2 THR 3 1HG2 THR 3 5.011 5.146 3.368 23 2HG2 THR 3 2HG2 THR 3 4.474 5.431 5.023 24 3HG2 THR 3 3HG2 THR 3 6.173 5.091 4.693 25 H CYS 4 H CYS 4 4.831 9.051 1.711 26 HA CYS 4 HA CYS 4 3.370 7.173 0.113 27 1HB CYS 4 2HB CYS 4 3.335 10.126 0.513 28 2HB CYS 4 1HB CYS 4 2.590 9.479 -0.945 29 H ARG 5 H ARG 5 6.421 8.405 -0.253 30 HA ARG 5 HA ARG 5 6.238 8.508 -3.181 31 1HB ARG 5 2HB ARG 5 8.589 9.445 -2.998 32 2HB ARG 5 1HB ARG 5 7.297 10.459 -2.368 33 1HG ARG 5 2HG ARG 5 8.082 10.377 -0.276 34 2HG ARG 5 1HG ARG 5 8.488 8.664 -0.390 35 1HD ARG 5 2HD ARG 5 10.430 9.421 -1.881 36 2HD ARG 5 1HD ARG 5 10.105 11.039 -1.259 37 HE ARG 5 HE ARG 5 10.314 9.575 0.991 38 1HH1 ARG 5 1HH1 ARG 5 12.363 9.875 -1.818 39 2HH1 ARG 5 2HH1 ARG 5 13.821 9.546 -0.943 40 1HH2 ARG 5 1HH2 ARG 5 12.227 9.144 2.142 41 2HH2 ARG 5 2HH2 ARG 5 13.744 9.131 1.305 42 H LEU 6 H LEU 6 7.230 6.476 -0.633 43 HA LEU 6 HA LEU 6 9.108 5.029 -2.357 44 1HB LEU 6 2HB LEU 6 9.758 3.807 -0.351 45 2HB LEU 6 1HB LEU 6 9.898 5.538 -0.114 46 HG LEU 6 HG LEU 6 7.438 5.180 0.890 47 1HD1 LEU 6 1HD1 LEU 6 7.051 3.138 1.858 48 2HD1 LEU 6 2HD1 LEU 6 8.760 2.704 1.883 49 3HD1 LEU 6 3HD1 LEU 6 7.858 2.647 0.369 50 1HD2 LEU 6 1HD2 LEU 6 8.447 5.220 3.079 51 2HD2 LEU 6 2HD2 LEU 6 9.390 6.229 1.982 52 3HD2 LEU 6 3HD2 LEU 6 9.971 4.622 2.425 53 HA PRO 7 HA PRO 7 5.922 2.030 -3.168 54 1HB PRO 7 2HB PRO 7 7.382 0.249 -4.543 55 2HB PRO 7 1HB PRO 7 6.988 1.837 -5.213 56 1HG PRO 7 2HG PRO 7 9.523 0.901 -3.922 57 2HG PRO 7 1HG PRO 7 9.309 1.887 -5.380 58 1HD PRO 7 2HD PRO 7 9.907 2.924 -2.916 59 2HD PRO 7 1HD PRO 7 9.042 3.821 -4.179 60 H SER 8 H SER 8 5.314 -0.116 -2.608 61 HA SER 8 HA SER 8 6.908 -1.250 -0.410 62 1HB SER 8 2HB SER 8 4.047 -0.750 -0.749 63 2HB SER 8 1HB SER 8 4.397 -2.395 -0.218 64 HG SER 8 HG SER 8 5.653 -1.463 1.480 65 H ASP 9 H ASP 9 7.152 -3.511 -0.253 66 HA ASP 9 HA ASP 9 7.138 -4.848 -2.838 67 1HB ASP 9 2HB ASP 9 8.646 -5.100 -0.342 68 2HB ASP 9 1HB ASP 9 8.170 -6.654 -1.022 69 H ARG 10 H ARG 10 6.032 -6.732 -3.295 70 HA ARG 10 HA ARG 10 3.690 -7.198 -1.641 71 1HB ARG 10 2HB ARG 10 4.446 -7.698 -4.449 72 2HB ARG 10 1HB ARG 10 3.384 -8.897 -3.723 73 1HG ARG 10 2HG ARG 10 1.801 -7.145 -3.124 74 2HG ARG 10 1HG ARG 10 2.871 -5.936 -3.831 75 1HD ARG 10 2HD ARG 10 0.852 -6.905 -5.183 76 2HD ARG 10 1HD ARG 10 2.381 -6.555 -5.979 77 HE ARG 10 HE ARG 10 2.068 -9.263 -5.007 78 1HH1 ARG 10 1HH1 ARG 10 1.690 -7.081 -7.708 79 2HH1 ARG 10 2HH1 ARG 10 1.714 -8.345 -8.891 80 1HH2 ARG 10 1HH2 ARG 10 2.097 -10.923 -6.562 81 2HH2 ARG 10 2HH2 ARG 10 1.943 -10.527 -8.241 82 HN2 GLY 11 H GLY 11 6.771 -8.520 -1.844 83 1HA GLY 11 2HA GLY 11 7.681 -10.524 -1.162 84 2HA GLY 11 1HA GLY 11 6.377 -10.507 0.017 85 H ARG 12 H ARG 12 7.385 -11.657 -3.136 86 HA ARG 12 HA ARG 12 5.216 -12.898 -4.163 87 1HB ARG 12 2HB ARG 12 7.883 -13.018 -4.673 88 2HB ARG 12 1HB ARG 12 7.584 -14.654 -4.102 89 1HG ARG 12 2HG ARG 12 7.309 -14.780 -6.412 90 2HG ARG 12 1HG ARG 12 5.663 -14.704 -5.780 91 1HD ARG 12 2HD ARG 12 5.250 -12.757 -6.800 92 2HD ARG 12 1HD ARG 12 6.799 -12.075 -6.306 93 HE ARG 12 HE ARG 12 6.164 -13.246 -8.833 94 1HH1 ARG 12 1HH1 ARG 12 8.753 -12.691 -6.559 95 2HH1 ARG 12 2HH1 ARG 12 9.995 -12.761 -7.765 96 1HH2 ARG 12 1HH2 ARG 12 7.795 -13.337 -10.420 97 2HH2 ARG 12 2HH2 ARG 12 9.452 -13.127 -9.957 98 H CYS 13 H CYS 13 7.080 -13.988 -1.389 99 HA CYS 13 HA CYS 13 6.627 -16.429 -0.709 100 1HB CYS 13 2HB CYS 13 5.284 -14.439 1.115 101 2HB CYS 13 1HB CYS 13 6.185 -15.887 1.550 102 H LYS 14 H LYS 14 5.114 -17.974 -0.840 103 HA LYS 14 HA LYS 14 2.863 -18.017 -2.182 104 1HB LYS 14 2HB LYS 14 3.557 -19.422 0.349 105 2HB LYS 14 1HB LYS 14 1.918 -19.594 -0.263 106 1HG LYS 14 2HG LYS 14 4.405 -20.203 -1.847 107 2HG LYS 14 1HG LYS 14 3.440 -21.401 -0.983 108 1HD LYS 14 2HD LYS 14 1.521 -20.171 -2.441 109 2HD LYS 14 1HD LYS 14 2.907 -20.008 -3.523 110 1HE LYS 14 2HE LYS 14 3.235 -22.353 -3.602 111 2HE LYS 14 1HE LYS 14 2.125 -22.624 -2.259 112 1HZ LYS 14 1HZ LYS 14 0.287 -22.157 -3.593 113 2HZ LYS 14 2HZ LYS 14 1.279 -23.098 -4.590 114 3HZ LYS 14 3HZ LYS 14 1.215 -21.420 -4.802 115 H ALA 15 H ALA 15 2.036 -15.866 -2.091 116 HA ALA 15 HA ALA 15 0.307 -15.330 0.228 117 1HB ALA 15 1HB ALA 15 0.286 -13.002 -0.592 118 2HB ALA 15 2HB ALA 15 1.396 -13.480 -1.877 119 3HB ALA 15 3HB ALA 15 1.899 -13.595 -0.191 120 H SER 16 H SER 16 -1.669 -13.990 -0.358 121 HA SER 16 HA SER 16 -2.894 -14.284 -2.891 122 1HB SER 16 2HB SER 16 -2.963 -16.652 -1.658 123 2HB SER 16 1HB SER 16 -4.370 -15.922 -0.885 124 HG SER 16 HG SER 16 -3.966 -16.049 -3.690 125 H PHE 17 H PHE 17 -2.420 -12.247 -0.906 126 HA PHE 17 HA PHE 17 -5.210 -11.491 -0.330 127 1HB PHE 17 2HB PHE 17 -2.813 -10.777 1.370 128 2HB PHE 17 1HB PHE 17 -4.500 -10.402 1.714 129 HD1 PHE 17 HD1 PHE 17 -1.995 -13.090 1.542 130 HD2 PHE 17 HD2 PHE 17 -5.957 -12.023 2.670 131 HE1 PHE 17 HE1 PHE 17 -2.209 -15.206 2.780 132 HE2 PHE 17 HE2 PHE 17 -6.178 -14.136 3.910 133 HZ PHE 17 HZ PHE 17 -4.302 -15.731 3.967 134 H GLU 18 H GLU 18 -5.807 -9.775 -1.454 135 HA GLU 18 HA GLU 18 -3.825 -8.059 -2.679 136 1HB GLU 18 2HB GLU 18 -6.672 -8.640 -3.061 137 2HB GLU 18 1HB GLU 18 -6.277 -6.937 -3.248 138 1HG GLU 18 2HG GLU 18 -4.297 -8.171 -4.684 139 2HG GLU 18 1HG GLU 18 -5.697 -9.198 -4.986 140 H ARG 19 H ARG 19 -3.234 -6.084 -1.994 141 HA ARG 19 HA ARG 19 -4.858 -4.801 0.094 142 1HB ARG 19 2HB ARG 19 -1.869 -5.218 0.104 143 2HB ARG 19 1HB ARG 19 -2.689 -4.082 1.167 144 1HG ARG 19 2HG ARG 19 -4.130 -6.238 1.728 145 2HG ARG 19 1HG ARG 19 -2.640 -7.040 1.227 146 1HD ARG 19 2HD ARG 19 -1.542 -6.403 3.073 147 2HD ARG 19 1HD ARG 19 -2.217 -4.775 3.027 148 HE ARG 19 HE ARG 19 -4.320 -6.132 3.878 149 1HH1 ARG 19 1HH1 ARG 19 -0.982 -6.387 4.878 150 2HH1 ARG 19 2HH1 ARG 19 -1.375 -6.892 6.485 151 1HH2 ARG 19 1HH2 ARG 19 -4.832 -6.794 5.991 152 2HH2 ARG 19 2HH2 ARG 19 -3.559 -7.123 7.118 153 H TRP 20 H TRP 20 -3.953 -2.476 0.484 154 HA TRP 20 HA TRP 20 -3.701 -1.236 -2.168 155 1HB TRP 20 2HB TRP 20 -4.782 -0.125 0.425 156 2HB TRP 20 1HB TRP 20 -4.619 0.797 -1.065 157 HD1 TRP 20 HD1 TRP 20 -6.676 -2.043 0.480 158 HE1 TRP 20 HE1 TRP 20 -8.829 -2.333 -0.891 159 HE3 TRP 20 HE3 TRP 20 -5.628 1.165 -3.357 160 HZ2 TRP 20 HZ2 TRP 20 -9.937 -1.338 -3.281 161 HZ3 TRP 20 HZ3 TRP 20 -7.290 1.437 -5.152 162 HH2 TRP 20 HH2 TRP 20 -9.401 0.210 -5.113 163 H TYR 21 H TYR 21 -2.332 0.544 -2.477 164 HA TYR 21 HA TYR 21 -0.359 1.158 -0.408 165 1HB TYR 21 2HB TYR 21 1.456 0.888 -2.252 166 2HB TYR 21 1HB TYR 21 0.875 -0.559 -1.430 167 HD1 TYR 21 HD2 TYR 21 -1.238 -1.661 -2.594 168 HD2 TYR 21 HD1 TYR 21 1.601 0.808 -4.570 169 HE1 TYR 21 HE2 TYR 21 -1.912 -2.614 -4.733 170 HE2 TYR 21 HE1 TYR 21 0.926 -0.147 -6.736 171 HH TYR 21 HH TYR 21 -0.185 -2.076 -7.649 172 H PHE 22 H PHE 22 0.903 3.082 -0.914 173 HA PHE 22 HA PHE 22 -0.665 4.949 -2.505 174 1HB PHE 22 2HB PHE 22 0.506 5.259 -0.097 175 2HB PHE 22 1HB PHE 22 1.792 5.876 -1.130 176 HD1 PHE 22 HD1 PHE 22 1.422 7.854 -2.522 177 HD2 PHE 22 HD2 PHE 22 -1.547 6.446 0.179 178 HE1 PHE 22 HE1 PHE 22 0.251 10.010 -2.691 179 HE2 PHE 22 HE2 PHE 22 -2.724 8.599 0.015 180 HZ PHE 22 HZ PHE 22 -1.826 10.386 -1.423 181 H ASN 23 H ASN 23 -0.062 5.797 -4.406 182 HA ASN 23 HA ASN 23 2.688 5.337 -5.334 183 1HB ASN 23 2HB ASN 23 1.102 3.645 -6.298 184 2HB ASN 23 1HB ASN 23 0.240 4.973 -7.070 185 1HD2 ASN 23 1HD2 ASN 23 0.814 5.431 -9.061 186 2HD2 ASN 23 2HD2 ASN 23 2.329 5.049 -9.799 187 HN2 GLY 24 H GLY 24 3.031 7.558 -4.766 188 1HA GLY 24 2HA GLY 24 3.493 9.662 -5.668 189 2HA GLY 24 1HA GLY 24 2.337 9.341 -6.951 190 H ARG 25 H ARG 25 0.101 9.662 -6.539 191 HA ARG 25 HA ARG 25 -0.508 11.226 -4.126 192 1HB ARG 25 2HB ARG 25 -1.892 12.751 -5.542 193 2HB ARG 25 1HB ARG 25 -0.162 12.866 -5.835 194 1HG ARG 25 2HG ARG 25 -0.821 11.035 -7.687 195 2HG ARG 25 1HG ARG 25 -2.329 11.949 -7.604 196 1HD ARG 25 2HD ARG 25 -1.406 13.807 -8.505 197 2HD ARG 25 1HD ARG 25 0.147 13.546 -7.714 198 HE ARG 25 HE ARG 25 0.869 12.409 -9.569 199 1HH1 ARG 25 1HH1 ARG 25 -2.597 12.790 -9.743 200 2HH1 ARG 25 2HH1 ARG 25 -2.704 12.213 -11.372 201 1HH2 ARG 25 1HH2 ARG 25 0.729 11.649 -11.711 202 2HH2 ARG 25 2HH2 ARG 25 -0.815 11.562 -12.488 203 H THR 26 H THR 26 -1.255 8.543 -5.868 204 HA THR 26 HA THR 26 -4.002 8.539 -4.830 205 HB THR 26 HB THR 26 -3.356 7.159 -7.412 206 HG1 THR 26 HG1 THR 26 -3.710 8.966 -8.542 207 1HG2 THR 26 1HG2 THR 26 -5.485 6.586 -7.200 208 2HG2 THR 26 2HG2 THR 26 -5.869 8.271 -7.553 209 3HG2 THR 26 3HG2 THR 26 -5.744 7.727 -5.880 210 H CYS 27 H CYS 27 -4.906 6.238 -4.840 211 HA CYS 27 HA CYS 27 -2.930 4.526 -3.563 212 1HB CYS 27 2HB CYS 27 -5.537 5.093 -2.953 213 2HB CYS 27 1HB CYS 27 -5.696 3.544 -3.775 214 H ALA 28 H ALA 28 -3.343 2.072 -3.974 215 HA ALA 28 HA ALA 28 -3.942 1.467 -6.752 216 1HB ALA 28 1HB ALA 28 -1.714 0.301 -7.010 217 2HB ALA 28 2HB ALA 28 -1.189 1.207 -5.589 218 3HB ALA 28 3HB ALA 28 -1.688 2.062 -7.047 219 H LYS 29 H LYS 29 -3.402 -1.013 -7.131 220 HA LYS 29 HA LYS 29 -4.041 -2.550 -4.715 221 1HB LYS 29 2HB LYS 29 -5.790 -2.109 -7.023 222 2HB LYS 29 1HB LYS 29 -5.578 -3.806 -6.616 223 1HG LYS 29 2HG LYS 29 -6.024 -2.459 -4.189 224 2HG LYS 29 1HG LYS 29 -7.200 -1.826 -5.341 225 1HD LYS 29 2HD LYS 29 -8.323 -3.778 -5.460 226 2HD LYS 29 1HD LYS 29 -6.849 -4.745 -5.397 227 1HE LYS 29 2HE LYS 29 -6.717 -4.515 -3.022 228 2HE LYS 29 1HE LYS 29 -8.026 -3.335 -3.010 229 1HZ LYS 29 1HZ LYS 29 -9.238 -5.143 -2.498 230 2HZ LYS 29 2HZ LYS 29 -8.143 -6.232 -3.189 231 3HZ LYS 29 3HZ LYS 29 -9.237 -5.395 -4.171 232 H PHE 30 H PHE 30 -3.131 -4.523 -4.607 233 HA PHE 30 HA PHE 30 -2.195 -5.952 -6.894 234 1HB PHE 30 2HB PHE 30 0.192 -5.838 -6.426 235 2HB PHE 30 1HB PHE 30 -0.449 -4.237 -6.742 236 HD1 PHE 30 HD1 PHE 30 -1.585 -4.879 -3.558 237 HD2 PHE 30 HD2 PHE 30 2.051 -4.117 -5.639 238 HE1 PHE 30 HE1 PHE 30 -0.573 -4.054 -1.481 239 HE2 PHE 30 HE2 PHE 30 3.066 -3.290 -3.560 240 HZ PHE 30 HZ PHE 30 1.755 -3.257 -1.477 241 H ILE 31 H ILE 31 -0.678 -7.870 -6.052 242 HA ILE 31 HA ILE 31 -2.206 -9.097 -3.901 243 HB ILE 31 HB ILE 31 -0.048 -10.283 -5.647 244 1HG1 ILE 31 2HG1 ILE 31 -2.034 -9.518 -6.913 245 2HG1 ILE 31 1HG1 ILE 31 -1.855 -11.269 -6.940 246 1HG2 ILE 31 1HG2 ILE 31 -1.291 -12.430 -4.913 247 2HG2 ILE 31 2HG2 ILE 31 -1.886 -11.434 -3.584 248 3HG2 ILE 31 3HG2 ILE 31 -0.152 -11.678 -3.796 249 1HD1 ILE 31 1HD1 ILE 31 -4.110 -9.781 -6.214 250 2HD1 ILE 31 2HD1 ILE 31 -3.495 -10.500 -4.725 251 3HD1 ILE 31 3HD1 ILE 31 -3.884 -11.527 -6.106 252 H TYR 32 H TYR 32 -1.523 -8.471 -1.920 253 HA TYR 32 HA TYR 32 1.321 -8.219 -1.371 254 1HB TYR 32 2HB TYR 32 -0.328 -6.547 -0.519 255 2HB TYR 32 1HB TYR 32 -1.006 -7.806 0.509 256 HD1 TYR 32 HD1 TYR 32 2.326 -6.291 -0.264 257 HD2 TYR 32 HD2 TYR 32 -0.279 -7.892 2.694 258 HE1 TYR 32 HE1 TYR 32 3.981 -5.758 1.474 259 HE2 TYR 32 HE2 TYR 32 1.368 -7.361 4.441 260 HH TYR 32 HH TYR 32 3.249 -5.864 4.804 261 HN2 GLY 33 H GLY 33 2.493 -9.474 -0.005 262 1HA GLY 33 2HA GLY 33 1.188 -11.959 0.920 263 2HA GLY 33 1HA GLY 33 2.846 -11.889 0.340 264 HN2 GLY 34 H GLY 34 3.491 -9.424 1.724 265 1HA GLY 34 2HA GLY 34 3.390 -8.725 4.104 266 2HA GLY 34 1HA GLY 34 3.472 -10.434 4.503 267 H CYS 35 H CYS 35 5.464 -10.207 1.950 268 HA CYS 35 HA CYS 35 7.798 -9.797 3.685 269 1HB CYS 35 2HB CYS 35 7.941 -11.077 0.971 270 2HB CYS 35 1HB CYS 35 9.008 -11.290 2.352 271 HN2 GLY 36 H GLY 36 8.335 -7.695 3.579 272 1HA GLY 36 2HA GLY 36 9.730 -6.117 2.412 273 2HA GLY 36 1HA GLY 36 8.971 -6.624 0.911 274 HN2 GLY 37 H GLY 37 8.533 -4.772 3.867 275 1HA GLY 37 2HA GLY 37 6.920 -2.843 2.492 276 2HA GLY 37 1HA GLY 37 5.978 -3.819 3.610 277 H ASN 38 H ASN 38 6.464 -0.972 3.736 278 HA ASN 38 HA ASN 38 7.649 -0.888 6.413 279 1HB ASN 38 2HB ASN 38 8.508 1.497 5.575 280 2HB ASN 38 1HB ASN 38 9.482 0.040 5.409 281 1HD2 ASN 38 1HD2 ASN 38 10.583 0.386 3.593 282 2HD2 ASN 38 2HD2 ASN 38 9.881 0.741 2.054 283 HN2 GLY 39 H GLY 39 6.586 1.798 4.360 284 1HA GLY 39 2HA GLY 39 4.262 2.130 6.148 285 2HA GLY 39 1HA GLY 39 5.293 3.487 5.724 286 H ASN 40 H ASN 40 5.169 1.599 3.028 287 HA ASN 40 HA ASN 40 3.207 3.360 1.802 288 1HB ASN 40 2HB ASN 40 5.409 2.948 0.717 289 2HB ASN 40 1HB ASN 40 4.959 1.257 0.515 290 1HD2 ASN 40 1HD2 ASN 40 3.739 4.512 -0.174 291 2HD2 ASN 40 2HD2 ASN 40 3.087 4.125 -1.726 292 H LYS 41 H LYS 41 3.547 0.046 2.793 293 HA LYS 41 HA LYS 41 1.380 -0.974 1.232 294 1HB LYS 41 2HB LYS 41 3.105 -2.486 1.973 295 2HB LYS 41 1HB LYS 41 2.818 -2.064 3.655 296 1HG LYS 41 2HG LYS 41 0.406 -3.028 2.394 297 2HG LYS 41 1HG LYS 41 1.723 -4.192 2.244 298 1HD LYS 41 2HD LYS 41 1.401 -4.814 4.354 299 2HD LYS 41 1HD LYS 41 1.782 -3.178 4.890 300 1HE LYS 41 2HE LYS 41 -0.719 -2.741 4.153 301 2HE LYS 41 1HE LYS 41 -0.858 -4.473 4.447 302 1HZ LYS 41 1HZ LYS 41 -1.260 -3.788 6.534 303 2HZ LYS 41 2HZ LYS 41 -0.484 -2.299 6.330 304 3HZ LYS 41 3HZ LYS 41 0.426 -3.690 6.645 305 H PHE 42 H PHE 42 -0.721 -1.377 1.816 306 HA PHE 42 HA PHE 42 -1.654 -0.722 4.482 307 1HB PHE 42 2HB PHE 42 -2.720 0.765 2.071 308 2HB PHE 42 1HB PHE 42 -3.308 0.913 3.724 309 HD1 PHE 42 HD1 PHE 42 -1.737 1.829 5.479 310 HD2 PHE 42 HD2 PHE 42 -0.945 2.071 1.305 311 HE1 PHE 42 HE1 PHE 42 -0.121 3.638 5.894 312 HE2 PHE 42 HE2 PHE 42 0.673 3.880 1.712 313 HZ PHE 42 HZ PHE 42 1.087 4.665 4.010 314 HA PRO 43 HA PRO 43 -4.313 -4.124 3.444 315 1HB PRO 43 2HB PRO 43 -6.196 -3.790 5.386 316 2HB PRO 43 1HB PRO 43 -4.597 -4.477 5.690 317 1HG PRO 43 2HG PRO 43 -5.577 -1.684 6.144 318 2HG PRO 43 1HG PRO 43 -4.572 -2.702 7.193 319 1HD PRO 43 2HD PRO 43 -3.517 -0.761 5.648 320 2HD PRO 43 1HD PRO 43 -2.651 -2.275 5.980 321 H THR 44 H THR 44 -5.922 -1.034 4.212 322 HA THR 44 HA THR 44 -7.788 -1.564 1.995 323 HB THR 44 HB THR 44 -9.283 0.067 3.466 324 HG1 THR 44 HG1 THR 44 -7.622 0.220 5.091 325 1HG2 THR 44 1HG2 THR 44 -10.595 -1.698 3.680 326 2HG2 THR 44 2HG2 THR 44 -9.453 -2.495 4.763 327 3HG2 THR 44 3HG2 THR 44 -9.285 -2.672 3.017 328 H GLN 45 H GLN 45 -8.537 0.265 0.820 329 HA GLN 45 HA GLN 45 -6.566 2.150 0.194 330 1HB GLN 45 2HB GLN 45 -8.300 3.261 -1.142 331 2HB GLN 45 1HB GLN 45 -8.322 1.520 -1.380 332 1HG GLN 45 2HG GLN 45 -10.349 1.266 -0.397 333 2HG GLN 45 1HG GLN 45 -10.114 2.628 0.698 334 1HE2 GLN 45 1HE2 GLN 45 -9.901 4.785 -0.563 335 2HE2 GLN 45 2HE2 GLN 45 -11.121 5.054 -1.758 336 H GLU 46 H GLU 46 -9.144 2.210 2.535 337 HA GLU 46 HA GLU 46 -9.283 4.981 2.983 338 1HB GLU 46 2HB GLU 46 -10.552 2.741 3.987 339 2HB GLU 46 1HB GLU 46 -9.664 3.346 5.378 340 1HG GLU 46 2HG GLU 46 -10.818 5.355 5.405 341 2HG GLU 46 1HG GLU 46 -11.341 5.190 3.729 342 H ALA 47 H ALA 47 -7.000 2.563 4.001 343 HA ALA 47 HA ALA 47 -5.838 4.080 6.121 344 1HB ALA 47 1HB ALA 47 -3.888 2.347 5.512 345 2HB ALA 47 2HB ALA 47 -5.251 1.539 4.736 346 3HB ALA 47 3HB ALA 47 -5.310 1.909 6.459 347 H CYS 48 H CYS 48 -5.037 3.567 2.705 348 HA CYS 48 HA CYS 48 -2.614 5.050 2.786 349 1HB CYS 48 2HB CYS 48 -2.518 4.772 0.451 350 2HB CYS 48 1HB CYS 48 -3.338 3.331 1.033 351 H MET 49 H MET 49 -5.960 5.895 2.204 352 HA MET 49 HA MET 49 -5.305 8.594 1.384 353 1HB MET 49 2HB MET 49 -7.737 6.926 1.518 354 2HB MET 49 1HB MET 49 -7.987 8.643 1.800 355 1HG MET 49 2HG MET 49 -6.644 8.995 -0.352 356 2HG MET 49 1HG MET 49 -6.925 7.280 -0.644 357 1HE MET 49 1HE MET 49 -8.093 10.050 -2.463 358 2HE MET 49 2HE MET 49 -8.057 10.757 -0.848 359 3HE MET 49 3HE MET 49 -9.581 10.648 -1.729 360 H LYS 50 H LYS 50 -5.960 6.928 4.319 361 HA LYS 50 HA LYS 50 -6.836 9.284 5.747 362 1HB LYS 50 2HB LYS 50 -7.731 7.092 6.355 363 2HB LYS 50 1HB LYS 50 -6.113 6.526 6.748 364 1HG LYS 50 2HG LYS 50 -5.985 8.212 8.536 365 2HG LYS 50 1HG LYS 50 -7.637 8.705 8.161 366 1HD LYS 50 2HD LYS 50 -8.314 7.164 9.624 367 2HD LYS 50 1HD LYS 50 -7.791 5.947 8.458 368 1HE LYS 50 2HE LYS 50 -6.799 5.454 10.589 369 2HE LYS 50 1HE LYS 50 -5.536 6.001 9.487 370 1HZ LYS 50 1HZ LYS 50 -6.733 7.425 11.775 371 2HZ LYS 50 2HZ LYS 50 -5.977 8.285 10.531 372 3HZ LYS 50 3HZ LYS 50 -5.099 7.153 11.429 373 H ARG 51 H ARG 51 -3.844 7.969 4.843 374 HA ARG 51 HA ARG 51 -2.470 9.311 7.067 375 1HB ARG 51 2HB ARG 51 -0.478 8.008 6.357 376 2HB ARG 51 1HB ARG 51 -1.834 7.000 6.845 377 1HG ARG 51 2HG ARG 51 -1.656 5.912 4.928 378 2HG ARG 51 1HG ARG 51 -2.120 7.390 4.083 379 1HD ARG 51 2HD ARG 51 0.661 6.450 4.750 380 2HD ARG 51 1HD ARG 51 -0.060 6.618 3.152 381 HE ARG 51 HE ARG 51 0.104 8.974 3.358 382 1HH1 ARG 51 1HH1 ARG 51 1.579 7.263 6.028 383 2HH1 ARG 51 2HH1 ARG 51 2.548 8.611 6.512 384 1HH2 ARG 51 1HH2 ARG 51 1.379 10.742 4.002 385 2HH2 ARG 51 2HH2 ARG 51 2.435 10.584 5.367 386 H CYS 52 H CYS 52 -2.932 9.378 3.618 387 HA CYS 52 HA CYS 52 -0.927 11.527 3.418 388 1HB CYS 52 2HB CYS 52 -1.299 9.237 1.832 389 2HB CYS 52 1HB CYS 52 -1.849 10.589 0.850 390 H ALA 53 H ALA 53 -4.269 10.666 2.816 391 HA ALA 53 HA ALA 53 -4.796 13.271 1.605 392 1HB ALA 53 1HB ALA 53 -7.074 11.489 2.097 393 2HB ALA 53 2HB ALA 53 -5.820 10.818 1.055 394 3HB ALA 53 3HB ALA 53 -6.594 12.344 0.631 395 H LYS 54 H LYS 54 -5.945 11.323 4.356 396 HA LYS 54 HA LYS 54 -7.488 13.461 5.452 397 1HB LYS 54 2HB LYS 54 -7.862 10.966 5.806 398 2HB LYS 54 1HB LYS 54 -6.522 11.026 6.943 399 1HG LYS 54 2HG LYS 54 -8.035 11.501 8.497 400 2HG LYS 54 1HG LYS 54 -8.147 13.100 7.758 401 1HD LYS 54 2HD LYS 54 -10.102 12.602 6.654 402 2HD LYS 54 1HD LYS 54 -9.764 10.869 6.618 403 1HE LYS 54 2HE LYS 54 -11.508 11.096 8.164 404 2HE LYS 54 1HE LYS 54 -10.056 10.938 9.153 405 1HZ LYS 54 1HZ LYS 54 -11.464 13.467 8.488 406 2HZ LYS 54 2HZ LYS 54 -10.016 13.370 9.357 407 3HZ LYS 54 3HZ LYS 54 -11.433 12.701 9.996 408 H ALA 55 H ALA 55 -4.486 11.869 6.543 409 HA ALA 55 HA ALA 55 -3.963 13.855 8.530 410 1HB ALA 55 1HB ALA 55 -1.876 11.999 7.448 411 2HB ALA 55 2HB ALA 55 -3.187 11.395 8.461 412 3HB ALA 55 3HB ALA 55 -2.079 12.615 9.087 Start of MODEL 13 1 1H ILE 1 1H ILE 1 5.490 14.223 5.063 2 2H ILE 1 2H ILE 1 4.757 14.031 3.523 3 3H ILE 1 3H ILE 1 6.460 14.200 3.651 4 HA ILE 1 HA ILE 1 6.263 12.143 5.141 5 HB ILE 1 HB ILE 1 3.797 12.108 5.099 6 1HG1 ILE 1 2HG1 ILE 1 4.605 9.658 3.594 7 2HG1 ILE 1 1HG1 ILE 1 5.422 10.009 5.114 8 1HG2 ILE 1 1HG2 ILE 1 3.392 10.973 2.502 9 2HG2 ILE 1 2HG2 ILE 1 4.146 12.558 2.345 10 3HG2 ILE 1 3HG2 ILE 1 2.632 12.386 3.233 11 1HD1 ILE 1 1HD1 ILE 1 2.441 10.012 4.980 12 2HD1 ILE 1 2HD1 ILE 1 3.503 9.724 6.359 13 3HD1 ILE 1 3HD1 ILE 1 3.333 8.495 5.106 14 H ASP 2 H ASP 2 7.574 10.623 4.298 15 HA ASP 2 HA ASP 2 8.102 10.768 1.406 16 1HB ASP 2 2HB ASP 2 9.945 9.790 3.597 17 2HB ASP 2 1HB ASP 2 10.353 9.979 1.895 18 H THR 3 H THR 3 7.297 8.666 4.060 19 HA THR 3 HA THR 3 7.891 6.173 2.987 20 HB THR 3 HB THR 3 5.571 6.958 4.761 21 HG1 THR 3 HG1 THR 3 7.686 7.420 5.575 22 1HG2 THR 3 1HG2 THR 3 4.909 4.855 4.769 23 2HG2 THR 3 2HG2 THR 3 6.501 4.366 5.351 24 3HG2 THR 3 3HG2 THR 3 6.176 4.429 3.619 25 H CYS 4 H CYS 4 5.354 8.395 2.169 26 HA CYS 4 HA CYS 4 3.724 6.460 0.810 27 1HB CYS 4 2HB CYS 4 3.603 9.337 1.396 28 2HB CYS 4 1HB CYS 4 2.895 8.884 -0.152 29 H ARG 5 H ARG 5 6.678 7.655 0.029 30 HA ARG 5 HA ARG 5 6.091 7.653 -2.857 31 1HB ARG 5 2HB ARG 5 8.609 8.793 -1.692 32 2HB ARG 5 1HB ARG 5 7.842 9.153 -3.231 33 1HG ARG 5 2HG ARG 5 6.183 10.477 -2.214 34 2HG ARG 5 1HG ARG 5 6.581 9.875 -0.604 35 1HD ARG 5 2HD ARG 5 8.181 11.730 -2.348 36 2HD ARG 5 1HD ARG 5 7.504 12.050 -0.752 37 HE ARG 5 HE ARG 5 9.192 10.031 -0.244 38 1HH1 ARG 5 1HH1 ARG 5 9.613 13.020 -1.999 39 2HH1 ARG 5 2HH1 ARG 5 11.301 13.141 -1.634 40 1HH2 ARG 5 1HH2 ARG 5 11.413 10.191 0.234 41 2HH2 ARG 5 2HH2 ARG 5 12.322 11.536 -0.366 42 H LEU 6 H LEU 6 7.254 5.671 -0.515 43 HA LEU 6 HA LEU 6 9.506 4.614 -2.013 44 1HB LEU 6 2HB LEU 6 8.406 3.222 0.376 45 2HB LEU 6 1HB LEU 6 10.071 3.415 -0.136 46 HG LEU 6 HG LEU 6 8.342 5.499 1.194 47 1HD1 LEU 6 1HD1 LEU 6 10.684 3.844 2.080 48 2HD1 LEU 6 2HD1 LEU 6 9.097 4.002 2.833 49 3HD1 LEU 6 3HD1 LEU 6 10.237 5.346 2.887 50 1HD2 LEU 6 1HD2 LEU 6 11.227 5.786 0.393 51 2HD2 LEU 6 2HD2 LEU 6 10.146 7.024 1.031 52 3HD2 LEU 6 3HD2 LEU 6 9.891 6.381 -0.591 53 HA PRO 7 HA PRO 7 6.805 1.814 -4.257 54 1HB PRO 7 2HB PRO 7 9.339 0.508 -5.021 55 2HB PRO 7 1HB PRO 7 8.090 1.220 -6.045 56 1HG PRO 7 2HG PRO 7 10.470 2.404 -5.711 57 2HG PRO 7 1HG PRO 7 8.977 3.346 -5.877 58 1HD PRO 7 2HD PRO 7 10.539 2.687 -3.410 59 2HD PRO 7 1HD PRO 7 9.739 4.205 -3.867 60 H SER 8 H SER 8 5.786 0.455 -2.875 61 HA SER 8 HA SER 8 7.289 -1.432 -1.261 62 1HB SER 8 2HB SER 8 4.428 -0.582 -1.427 63 2HB SER 8 1HB SER 8 4.830 -2.113 -0.658 64 HG SER 8 HG SER 8 6.389 -0.004 0.160 65 H ASP 9 H ASP 9 6.711 -3.745 -1.216 66 HA ASP 9 HA ASP 9 6.033 -4.723 -3.917 67 1HB ASP 9 2HB ASP 9 8.405 -5.083 -2.611 68 2HB ASP 9 1HB ASP 9 7.535 -6.546 -2.157 69 H ARG 10 H ARG 10 5.014 -6.870 -4.007 70 HA ARG 10 HA ARG 10 3.006 -7.106 -1.915 71 1HB ARG 10 2HB ARG 10 2.003 -8.814 -3.478 72 2HB ARG 10 1HB ARG 10 2.045 -7.167 -4.067 73 1HG ARG 10 2HG ARG 10 4.421 -8.320 -4.959 74 2HG ARG 10 1HG ARG 10 3.187 -9.557 -5.186 75 1HD ARG 10 2HD ARG 10 2.775 -6.721 -6.080 76 2HD ARG 10 1HD ARG 10 3.582 -7.907 -7.100 77 HE ARG 10 HE ARG 10 1.012 -8.764 -6.110 78 1HH1 ARG 10 1HH1 ARG 10 2.692 -7.029 -8.633 79 2HH1 ARG 10 2HH1 ARG 10 1.457 -7.294 -9.817 80 1HH2 ARG 10 1HH2 ARG 10 -0.616 -9.121 -7.689 81 2HH2 ARG 10 2HH2 ARG 10 -0.416 -8.477 -9.281 82 HN2 GLY 11 H GLY 11 5.993 -8.510 -2.507 83 1HA GLY 11 2HA GLY 11 7.020 -10.391 -1.678 84 2HA GLY 11 1HA GLY 11 5.801 -10.332 -0.415 85 H ARG 12 H ARG 12 6.898 -11.955 -3.212 86 HA ARG 12 HA ARG 12 4.537 -13.302 -3.965 87 1HB ARG 12 2HB ARG 12 6.732 -13.123 -5.253 88 2HB ARG 12 1HB ARG 12 7.320 -14.425 -4.228 89 1HG ARG 12 2HG ARG 12 6.155 -15.989 -5.327 90 2HG ARG 12 1HG ARG 12 4.734 -14.956 -5.494 91 1HD ARG 12 2HD ARG 12 5.442 -15.210 -7.687 92 2HD ARG 12 1HD ARG 12 6.163 -13.671 -7.222 93 HE ARG 12 HE ARG 12 8.085 -15.513 -6.643 94 1HH1 ARG 12 1HH1 ARG 12 6.261 -14.700 -9.506 95 2HH1 ARG 12 2HH1 ARG 12 7.522 -15.174 -10.595 96 1HH2 ARG 12 1HH2 ARG 12 9.744 -16.136 -8.074 97 2HH2 ARG 12 2HH2 ARG 12 9.498 -15.989 -9.783 98 H CYS 13 H CYS 13 6.368 -13.558 -1.151 99 HA CYS 13 HA CYS 13 6.589 -16.133 -0.417 100 1HB CYS 13 2HB CYS 13 5.371 -14.013 1.362 101 2HB CYS 13 1HB CYS 13 6.225 -15.459 1.885 102 H LYS 14 H LYS 14 3.685 -14.527 0.858 103 HA LYS 14 HA LYS 14 2.198 -16.997 0.272 104 1HB LYS 14 2HB LYS 14 1.565 -14.928 2.379 105 2HB LYS 14 1HB LYS 14 0.793 -16.495 2.171 106 1HG LYS 14 2HG LYS 14 2.433 -17.592 3.240 107 2HG LYS 14 1HG LYS 14 3.704 -16.589 2.538 108 1HD LYS 14 2HD LYS 14 3.234 -14.819 4.114 109 2HD LYS 14 1HD LYS 14 1.856 -15.714 4.757 110 1HE LYS 14 2HE LYS 14 3.557 -17.559 5.290 111 2HE LYS 14 1HE LYS 14 4.784 -16.321 5.023 112 1HZ LYS 14 1HZ LYS 14 3.465 -14.964 6.701 113 2HZ LYS 14 2HZ LYS 14 4.366 -16.265 7.300 114 3HZ LYS 14 3HZ LYS 14 2.692 -16.413 7.109 115 H ALA 15 H ALA 15 2.199 -15.592 -1.904 116 HA ALA 15 HA ALA 15 0.508 -13.416 -2.230 117 1HB ALA 15 1HB ALA 15 2.049 -14.812 -3.902 118 2HB ALA 15 2HB ALA 15 0.779 -13.722 -4.457 119 3HB ALA 15 3HB ALA 15 0.476 -15.458 -4.368 120 H SER 16 H SER 16 -1.445 -13.423 -1.198 121 HA SER 16 HA SER 16 -3.579 -14.860 -2.393 122 1HB SER 16 2HB SER 16 -2.285 -16.439 -0.627 123 2HB SER 16 1HB SER 16 -3.432 -15.651 0.457 124 HG SER 16 HG SER 16 -4.555 -17.335 -0.301 125 H PHE 17 H PHE 17 -2.857 -12.122 -1.611 126 HA PHE 17 HA PHE 17 -5.394 -11.419 -0.415 127 1HB PHE 17 2HB PHE 17 -2.907 -10.342 0.909 128 2HB PHE 17 1HB PHE 17 -4.573 -10.199 1.451 129 HD1 PHE 17 HD1 PHE 17 -5.755 -12.224 2.312 130 HD2 PHE 17 HD2 PHE 17 -1.575 -12.187 1.512 131 HE1 PHE 17 HE1 PHE 17 -5.473 -14.227 3.713 132 HE2 PHE 17 HE2 PHE 17 -1.285 -14.192 2.910 133 HZ PHE 17 HZ PHE 17 -3.236 -15.214 4.013 134 H GLU 18 H GLU 18 -5.703 -9.025 -0.370 135 HA GLU 18 HA GLU 18 -4.196 -7.741 -2.553 136 1HB GLU 18 2HB GLU 18 -7.134 -7.609 -1.882 137 2HB GLU 18 1HB GLU 18 -6.353 -6.430 -2.925 138 1HG GLU 18 2HG GLU 18 -6.597 -7.774 -4.658 139 2HG GLU 18 1HG GLU 18 -5.651 -9.020 -3.845 140 H ARG 19 H ARG 19 -3.469 -5.673 -2.224 141 HA ARG 19 HA ARG 19 -4.344 -4.264 0.185 142 1HB ARG 19 2HB ARG 19 -1.617 -5.336 -0.312 143 2HB ARG 19 1HB ARG 19 -1.741 -3.752 0.439 144 1HG ARG 19 2HG ARG 19 -3.460 -5.054 1.989 145 2HG ARG 19 1HG ARG 19 -2.464 -6.423 1.492 146 1HD ARG 19 2HD ARG 19 -0.457 -5.065 2.185 147 2HD ARG 19 1HD ARG 19 -1.583 -3.913 2.902 148 HE ARG 19 HE ARG 19 -2.044 -6.577 3.815 149 1HH1 ARG 19 1HH1 ARG 19 -0.015 -3.772 4.261 150 2HH1 ARG 19 2HH1 ARG 19 0.372 -4.160 5.904 151 1HH2 ARG 19 1HH2 ARG 19 -1.533 -7.089 5.975 152 2HH2 ARG 19 2HH2 ARG 19 -0.487 -6.043 6.876 153 H TRP 20 H TRP 20 -3.128 -2.053 0.278 154 HA TRP 20 HA TRP 20 -3.119 -0.944 -2.450 155 1HB TRP 20 2HB TRP 20 -4.058 0.323 0.127 156 2HB TRP 20 1HB TRP 20 -3.907 1.178 -1.403 157 HD1 TRP 20 HD1 TRP 20 -5.958 -1.660 0.213 158 HE1 TRP 20 HE1 TRP 20 -8.186 -1.863 -1.052 159 HE3 TRP 20 HE3 TRP 20 -5.075 1.703 -3.536 160 HZ2 TRP 20 HZ2 TRP 20 -9.408 -0.752 -3.330 161 HZ3 TRP 20 HZ3 TRP 20 -6.829 2.074 -5.221 162 HH2 TRP 20 HH2 TRP 20 -8.953 0.871 -5.119 163 H TYR 21 H TYR 21 -1.747 0.860 -2.853 164 HA TYR 21 HA TYR 21 0.402 1.374 -0.936 165 1HB TYR 21 2HB TYR 21 1.997 1.138 -3.018 166 2HB TYR 21 1HB TYR 21 1.545 -0.289 -2.093 167 HD1 TYR 21 HD2 TYR 21 -0.674 -1.458 -2.938 168 HD2 TYR 21 HD1 TYR 21 1.816 1.021 -5.330 169 HE1 TYR 21 HE2 TYR 21 -1.621 -2.465 -4.949 170 HE2 TYR 21 HE1 TYR 21 0.868 0.013 -7.365 171 HH TYR 21 HH TYR 21 -0.300 -2.100 -8.019 172 H PHE 22 H PHE 22 1.245 3.421 -1.098 173 HA PHE 22 HA PHE 22 -0.250 5.293 -2.699 174 1HB PHE 22 2HB PHE 22 1.316 5.415 -0.344 175 2HB PHE 22 1HB PHE 22 2.076 6.492 -1.512 176 HD1 PHE 22 HD2 PHE 22 0.911 8.447 -2.344 177 HD2 PHE 22 HD1 PHE 22 -0.882 5.858 0.512 178 HE1 PHE 22 HE2 PHE 22 -0.785 10.163 -1.863 179 HE2 PHE 22 HE1 PHE 22 -2.584 7.564 0.998 180 HZ PHE 22 HZ PHE 22 -2.538 9.721 -0.190 181 H ASN 23 H ASN 23 0.194 4.972 -4.851 182 HA ASN 23 HA ASN 23 2.932 4.850 -5.783 183 1HB ASN 23 2HB ASN 23 1.889 4.701 -8.041 184 2HB ASN 23 1HB ASN 23 1.312 3.467 -6.926 185 1HD2 ASN 23 1HD2 ASN 23 -0.787 3.612 -6.105 186 2HD2 ASN 23 2HD2 ASN 23 -1.992 4.586 -6.868 187 HN2 GLY 24 H GLY 24 3.651 6.917 -5.049 188 1HA GLY 24 2HA GLY 24 4.362 9.040 -5.656 189 2HA GLY 24 1HA GLY 24 3.262 8.982 -7.025 190 H ARG 25 H ARG 25 0.833 8.689 -5.942 191 HA ARG 25 HA ARG 25 0.389 10.432 -3.713 192 1HB ARG 25 2HB ARG 25 -0.817 12.179 -4.903 193 2HB ARG 25 1HB ARG 25 0.840 12.083 -5.482 194 1HG ARG 25 2HG ARG 25 -0.277 10.485 -7.276 195 2HG ARG 25 1HG ARG 25 -1.699 11.447 -6.868 196 1HD ARG 25 2HD ARG 25 -0.757 13.409 -7.645 197 2HD ARG 25 1HD ARG 25 0.891 12.810 -7.462 198 HE ARG 25 HE ARG 25 -0.129 11.212 -9.386 199 1HH1 ARG 25 1HH1 ARG 25 0.002 14.677 -8.994 200 2HH1 ARG 25 2HH1 ARG 25 0.052 14.993 -10.697 201 1HH2 ARG 25 1HH2 ARG 25 -0.064 11.625 -11.624 202 2HH2 ARG 25 2HH2 ARG 25 0.014 13.260 -12.190 203 H THR 26 H THR 26 -0.874 8.587 -6.424 204 HA THR 26 HA THR 26 -3.533 8.478 -5.253 205 HB THR 26 HB THR 26 -2.640 6.900 -7.648 206 HG1 THR 26 HG1 THR 26 -1.967 8.913 -8.187 207 1HG2 THR 26 1HG2 THR 26 -5.087 8.075 -8.143 208 2HG2 THR 26 2HG2 THR 26 -5.174 7.594 -6.449 209 3HG2 THR 26 3HG2 THR 26 -4.795 6.397 -7.687 210 H CYS 27 H CYS 27 -4.608 6.381 -4.959 211 HA CYS 27 HA CYS 27 -2.803 4.495 -3.643 212 1HB CYS 27 2HB CYS 27 -5.121 5.598 -2.758 213 2HB CYS 27 1HB CYS 27 -5.723 4.087 -3.432 214 H ALA 28 H ALA 28 -2.123 2.863 -4.832 215 HA ALA 28 HA ALA 28 -3.757 1.840 -7.020 216 1HB ALA 28 1HB ALA 28 -0.869 1.629 -6.309 217 2HB ALA 28 2HB ALA 28 -1.620 2.206 -7.796 218 3HB ALA 28 3HB ALA 28 -1.595 0.482 -7.435 219 H LYS 29 H LYS 29 -3.373 -0.698 -7.339 220 HA LYS 29 HA LYS 29 -3.694 -2.070 -4.771 221 1HB LYS 29 2HB LYS 29 -5.942 -1.350 -5.788 222 2HB LYS 29 1HB LYS 29 -5.637 -2.575 -7.011 223 1HG LYS 29 2HG LYS 29 -6.047 -4.286 -5.597 224 2HG LYS 29 1HG LYS 29 -5.370 -3.442 -4.204 225 1HD LYS 29 2HD LYS 29 -7.442 -2.999 -3.526 226 2HD LYS 29 1HD LYS 29 -7.659 -1.995 -4.961 227 1HE LYS 29 2HE LYS 29 -9.428 -3.529 -5.033 228 2HE LYS 29 1HE LYS 29 -8.245 -4.155 -6.179 229 1HZ LYS 29 1HZ LYS 29 -8.069 -5.108 -3.425 230 2HZ LYS 29 2HZ LYS 29 -7.785 -5.932 -4.875 231 3HZ LYS 29 3HZ LYS 29 -9.371 -5.669 -4.350 232 H PHE 30 H PHE 30 -2.971 -4.130 -4.720 233 HA PHE 30 HA PHE 30 -2.390 -5.571 -7.154 234 1HB PHE 30 2HB PHE 30 -0.037 -5.762 -6.857 235 2HB PHE 30 1HB PHE 30 -0.418 -4.052 -6.750 236 HD1 PHE 30 HD2 PHE 30 -1.557 -4.914 -3.729 237 HD2 PHE 30 HD1 PHE 30 2.141 -4.925 -5.839 238 HE1 PHE 30 HE2 PHE 30 -0.341 -4.823 -1.601 239 HE2 PHE 30 HE1 PHE 30 3.356 -4.833 -3.709 240 HZ PHE 30 HZ PHE 30 2.114 -4.787 -1.589 241 H ILE 31 H ILE 31 -1.159 -7.734 -6.489 242 HA ILE 31 HA ILE 31 -2.820 -8.886 -4.391 243 HB ILE 31 HB ILE 31 -0.871 -10.253 -6.246 244 1HG1 ILE 31 2HG1 ILE 31 -2.705 -9.137 -7.465 245 2HG1 ILE 31 1HG1 ILE 31 -2.815 -10.891 -7.575 246 1HG2 ILE 31 1HG2 ILE 31 -1.150 -11.885 -4.715 247 2HG2 ILE 31 2HG2 ILE 31 -2.674 -12.139 -5.567 248 3HG2 ILE 31 3HG2 ILE 31 -2.641 -11.184 -4.085 249 1HD1 ILE 31 1HD1 ILE 31 -4.559 -10.912 -5.900 250 2HD1 ILE 31 2HD1 ILE 31 -4.992 -9.832 -7.225 251 3HD1 ILE 31 3HD1 ILE 31 -4.413 -9.166 -5.698 252 H TYR 32 H TYR 32 -1.988 -8.391 -2.428 253 HA TYR 32 HA TYR 32 0.870 -8.558 -1.952 254 1HB TYR 32 2HB TYR 32 -0.426 -6.702 -0.999 255 2HB TYR 32 1HB TYR 32 -1.401 -7.847 -0.086 256 HD1 TYR 32 HD2 TYR 32 1.961 -6.369 -0.420 257 HD2 TYR 32 HD1 TYR 32 -0.606 -8.785 1.959 258 HE1 TYR 32 HE2 TYR 32 3.569 -6.238 1.437 259 HE2 TYR 32 HE1 TYR 32 0.992 -8.658 3.823 260 HH TYR 32 HH TYR 32 3.442 -8.249 4.125 261 HN2 GLY 33 H GLY 33 1.810 -10.381 -1.408 262 1HA GLY 33 2HA GLY 33 0.254 -12.625 -0.448 263 2HA GLY 33 1HA GLY 33 1.964 -12.636 -0.850 264 HN2 GLY 34 H GLY 34 2.827 -10.537 0.834 265 1HA GLY 34 2HA GLY 34 2.093 -10.383 3.412 266 2HA GLY 34 1HA GLY 34 2.810 -11.983 3.353 267 H CYS 35 H CYS 35 4.681 -10.704 1.176 268 HA CYS 35 HA CYS 35 6.544 -9.595 3.166 269 1HB CYS 35 2HB CYS 35 7.148 -11.034 0.574 270 2HB CYS 35 1HB CYS 35 8.356 -10.336 1.643 271 HN2 GLY 36 H GLY 36 6.006 -7.447 3.030 272 1HA GLY 36 2HA GLY 36 6.121 -6.154 0.404 273 2HA GLY 36 1HA GLY 36 5.529 -5.422 1.889 274 HN2 GLY 37 H GLY 37 7.578 -5.841 3.630 275 1HA GLY 37 2HA GLY 37 9.614 -5.025 4.291 276 2HA GLY 37 1HA GLY 37 10.158 -5.301 2.642 277 H ASN 38 H ASN 38 7.637 -3.130 3.884 278 HA ASN 38 HA ASN 38 9.209 -0.786 3.611 279 1HB ASN 38 2HB ASN 38 8.809 -1.529 1.203 280 2HB ASN 38 1HB ASN 38 7.123 -1.110 1.470 281 1HD2 ASN 38 1HD2 ASN 38 10.355 0.088 1.122 282 2HD2 ASN 38 2HD2 ASN 38 9.937 1.752 0.918 283 HN2 GLY 39 H GLY 39 7.851 1.202 3.714 284 1HA GLY 39 2HA GLY 39 5.599 0.736 5.537 285 2HA GLY 39 1HA GLY 39 6.557 2.205 5.445 286 H ASN 40 H ASN 40 5.934 1.273 2.329 287 HA ASN 40 HA ASN 40 3.927 3.346 2.050 288 1HB ASN 40 2HB ASN 40 5.673 3.480 0.471 289 2HB ASN 40 1HB ASN 40 5.613 1.759 0.127 290 1HD2 ASN 40 1HD2 ASN 40 3.751 4.739 -0.158 291 2HD2 ASN 40 2HD2 ASN 40 2.958 4.310 -1.630 292 H LYS 41 H LYS 41 3.885 -0.007 2.459 293 HA LYS 41 HA LYS 41 1.686 -0.674 0.775 294 1HB LYS 41 2HB LYS 41 2.761 -2.038 3.246 295 2HB LYS 41 1HB LYS 41 1.514 -2.712 2.209 296 1HG LYS 41 2HG LYS 41 4.177 -1.939 1.104 297 2HG LYS 41 1HG LYS 41 3.937 -3.490 1.901 298 1HD LYS 41 2HD LYS 41 3.616 -3.858 -0.426 299 2HD LYS 41 1HD LYS 41 2.019 -3.888 0.322 300 1HE LYS 41 2HE LYS 41 1.324 -2.138 -0.877 301 2HE LYS 41 1HE LYS 41 2.783 -1.220 -0.521 302 1HZ LYS 41 1HZ LYS 41 2.067 -2.510 -2.909 303 2HZ LYS 41 2HZ LYS 41 3.483 -3.224 -2.320 304 3HZ LYS 41 3HZ LYS 41 3.428 -1.559 -2.596 305 H PHE 42 H PHE 42 -0.398 -1.495 1.626 306 HA PHE 42 HA PHE 42 -1.395 -0.401 4.089 307 1HB PHE 42 2HB PHE 42 -2.426 0.689 1.459 308 2HB PHE 42 1HB PHE 42 -3.155 0.986 3.034 309 HD1 PHE 42 HD1 PHE 42 -1.707 2.145 4.798 310 HD2 PHE 42 HD2 PHE 42 -0.762 2.086 0.649 311 HE1 PHE 42 HE1 PHE 42 -0.243 4.098 5.108 312 HE2 PHE 42 HE2 PHE 42 0.705 4.038 0.951 313 HZ PHE 42 HZ PHE 42 0.966 5.046 3.183 314 HA PRO 43 HA PRO 43 -4.015 -3.931 3.498 315 1HB PRO 43 2HB PRO 43 -5.883 -3.460 5.386 316 2HB PRO 43 1HB PRO 43 -4.225 -3.916 5.795 317 1HG PRO 43 2HG PRO 43 -5.498 -1.207 5.787 318 2HG PRO 43 1HG PRO 43 -4.404 -1.925 6.982 319 1HD PRO 43 2HD PRO 43 -3.581 -0.167 5.069 320 2HD PRO 43 1HD PRO 43 -2.529 -1.425 5.751 321 H THR 44 H THR 44 -5.734 -0.816 3.842 322 HA THR 44 HA THR 44 -7.477 -1.638 1.622 323 HB THR 44 HB THR 44 -9.314 -0.326 2.871 324 HG1 THR 44 HG1 THR 44 -7.674 -0.991 5.082 325 1HG2 THR 44 1HG2 THR 44 -10.110 -2.223 4.026 326 2HG2 THR 44 2HG2 THR 44 -8.486 -2.891 4.192 327 3HG2 THR 44 3HG2 THR 44 -9.252 -2.820 2.605 328 H GLN 45 H GLN 45 -8.649 0.236 0.645 329 HA GLN 45 HA GLN 45 -6.820 2.243 -0.110 330 1HB GLN 45 2HB GLN 45 -8.881 1.328 -1.374 331 2HB GLN 45 1HB GLN 45 -9.797 2.503 -0.441 332 1HG GLN 45 2HG GLN 45 -7.737 4.011 -1.425 333 2HG GLN 45 1HG GLN 45 -8.053 2.883 -2.743 334 1HE2 GLN 45 1HE2 GLN 45 -10.533 2.571 -3.075 335 2HE2 GLN 45 2HE2 GLN 45 -11.433 4.041 -3.197 336 H GLU 46 H GLU 46 -9.425 2.164 2.246 337 HA GLU 46 HA GLU 46 -9.492 4.942 2.780 338 1HB GLU 46 2HB GLU 46 -10.687 4.296 4.848 339 2HB GLU 46 1HB GLU 46 -11.346 3.521 3.415 340 1HG GLU 46 2HG GLU 46 -9.621 1.626 4.165 341 2HG GLU 46 1HG GLU 46 -9.952 2.351 5.738 342 H ALA 47 H ALA 47 -7.361 2.406 3.756 343 HA ALA 47 HA ALA 47 -6.359 3.623 6.122 344 1HB ALA 47 1HB ALA 47 -4.569 1.825 4.621 345 2HB ALA 47 2HB ALA 47 -6.139 1.157 5.069 346 3HB ALA 47 3HB ALA 47 -5.062 1.789 6.314 347 H CYS 48 H CYS 48 -5.392 3.706 2.722 348 HA CYS 48 HA CYS 48 -3.008 5.213 3.243 349 1HB CYS 48 2HB CYS 48 -2.680 5.248 0.889 350 2HB CYS 48 1HB CYS 48 -3.346 3.666 1.273 351 H MET 49 H MET 49 -6.250 5.974 2.037 352 HA MET 49 HA MET 49 -5.778 8.686 1.472 353 1HB MET 49 2HB MET 49 -8.022 6.898 1.521 354 2HB MET 49 1HB MET 49 -8.470 8.410 2.298 355 1HG MET 49 2HG MET 49 -7.467 9.545 0.237 356 2HG MET 49 1HG MET 49 -7.534 7.949 -0.507 357 1HE MET 49 1HE MET 49 -9.803 11.209 0.168 358 2HE MET 49 2HE MET 49 -9.460 10.350 1.670 359 3HE MET 49 3HE MET 49 -11.100 10.376 1.023 360 H LYS 50 H LYS 50 -6.614 7.018 4.440 361 HA LYS 50 HA LYS 50 -6.992 9.520 5.872 362 1HB LYS 50 2HB LYS 50 -8.446 7.550 6.304 363 2HB LYS 50 1HB LYS 50 -7.043 6.688 6.921 364 1HG LYS 50 2HG LYS 50 -6.799 8.343 8.697 365 2HG LYS 50 1HG LYS 50 -8.200 9.219 8.076 366 1HD LYS 50 2HD LYS 50 -9.430 7.967 9.457 367 2HD LYS 50 1HD LYS 50 -9.118 6.623 8.355 368 1HE LYS 50 2HE LYS 50 -8.118 5.576 10.041 369 2HE LYS 50 1HE LYS 50 -6.843 6.790 9.961 370 1HZ LYS 50 1HZ LYS 50 -7.445 7.167 12.073 371 2HZ LYS 50 2HZ LYS 50 -8.978 6.478 11.890 372 3HZ LYS 50 3HZ LYS 50 -8.703 8.071 11.393 373 H ARG 51 H ARG 51 -4.356 7.678 4.989 374 HA ARG 51 HA ARG 51 -2.871 8.349 7.432 375 1HB ARG 51 2HB ARG 51 -2.464 6.304 5.278 376 2HB ARG 51 1HB ARG 51 -1.108 6.821 6.271 377 1HG ARG 51 2HG ARG 51 -3.681 5.720 7.378 378 2HG ARG 51 1HG ARG 51 -2.238 4.753 7.062 379 1HD ARG 51 2HD ARG 51 -1.589 5.264 9.130 380 2HD ARG 51 1HD ARG 51 -1.294 6.897 8.536 381 HE ARG 51 HE ARG 51 -3.915 6.956 9.161 382 1HH1 ARG 51 1HH1 ARG 51 -1.088 5.931 10.933 383 2HH1 ARG 51 2HH1 ARG 51 -1.756 6.341 12.478 384 1HH2 ARG 51 1HH2 ARG 51 -4.792 7.496 11.191 385 2HH2 ARG 51 2HH2 ARG 51 -3.858 7.229 12.624 386 H CYS 52 H CYS 52 -3.008 8.951 3.988 387 HA CYS 52 HA CYS 52 -0.764 10.837 4.307 388 1HB CYS 52 2HB CYS 52 -1.078 8.664 2.443 389 2HB CYS 52 1HB CYS 52 -0.959 10.190 1.574 390 H ALA 53 H ALA 53 -3.920 10.241 2.891 391 HA ALA 53 HA ALA 53 -3.981 12.836 1.601 392 1HB ALA 53 1HB ALA 53 -5.162 10.492 0.977 393 2HB ALA 53 2HB ALA 53 -5.730 12.064 0.415 394 3HB ALA 53 3HB ALA 53 -6.484 11.303 1.816 395 H LYS 54 H LYS 54 -5.077 11.367 4.557 396 HA LYS 54 HA LYS 54 -6.566 13.813 5.221 397 1HB LYS 54 2HB LYS 54 -7.547 11.354 5.349 398 2HB LYS 54 1HB LYS 54 -6.741 11.362 6.911 399 1HG LYS 54 2HG LYS 54 -8.479 13.670 6.242 400 2HG LYS 54 1HG LYS 54 -9.253 12.129 6.617 401 1HD LYS 54 2HD LYS 54 -7.370 12.342 8.598 402 2HD LYS 54 1HD LYS 54 -7.872 14.019 8.372 403 1HE LYS 54 2HE LYS 54 -10.255 13.187 8.530 404 2HE LYS 54 1HE LYS 54 -9.587 11.644 9.063 405 1HZ LYS 54 1HZ LYS 54 -8.335 13.334 10.699 406 2HZ LYS 54 2HZ LYS 54 -9.800 12.580 11.078 407 3HZ LYS 54 3HZ LYS 54 -9.794 14.163 10.484 408 H ALA 55 H ALA 55 -3.931 11.740 6.177 409 HA ALA 55 HA ALA 55 -3.505 13.090 8.695 410 1HB ALA 55 1HB ALA 55 -2.125 11.391 9.197 411 2HB ALA 55 2HB ALA 55 -1.321 11.442 7.628 412 3HB ALA 55 3HB ALA 55 -2.866 10.609 7.802 Start of MODEL 14 1 1H ILE 1 1H ILE 1 4.473 14.328 4.605 2 2H ILE 1 2H ILE 1 5.431 14.364 3.181 3 3H ILE 1 3H ILE 1 6.176 14.485 4.723 4 HA ILE 1 HA ILE 1 5.819 12.318 5.232 5 HB ILE 1 HB ILE 1 3.436 12.284 4.599 6 1HG1 ILE 1 2HG1 ILE 1 3.501 9.906 3.556 7 2HG1 ILE 1 1HG1 ILE 1 5.249 10.063 3.692 8 1HG2 ILE 1 1HG2 ILE 1 3.677 13.317 2.384 9 2HG2 ILE 1 2HG2 ILE 1 2.750 11.817 2.322 10 3HG2 ILE 1 3HG2 ILE 1 4.433 11.839 1.788 11 1HD1 ILE 1 1HD1 ILE 1 4.535 8.914 5.612 12 2HD1 ILE 1 2HD1 ILE 1 3.214 10.048 5.893 13 3HD1 ILE 1 3HD1 ILE 1 4.883 10.561 6.137 14 H ASP 2 H ASP 2 7.206 10.736 4.558 15 HA ASP 2 HA ASP 2 8.531 11.210 1.974 16 1HB ASP 2 2HB ASP 2 9.649 9.679 4.326 17 2HB ASP 2 1HB ASP 2 10.520 10.252 2.907 18 H THR 3 H THR 3 7.185 8.717 4.073 19 HA THR 3 HA THR 3 7.828 6.459 2.574 20 HB THR 3 HB THR 3 5.330 6.942 4.209 21 HG1 THR 3 HG1 THR 3 6.526 6.631 5.905 22 1HG2 THR 3 1HG2 THR 3 6.602 4.279 4.024 23 2HG2 THR 3 2HG2 THR 3 5.630 4.821 2.656 24 3HG2 THR 3 3HG2 THR 3 4.912 4.719 4.263 25 H CYS 4 H CYS 4 5.427 8.910 2.035 26 HA CYS 4 HA CYS 4 3.797 7.439 0.228 27 1HB CYS 4 2HB CYS 4 3.752 9.990 1.433 28 2HB CYS 4 1HB CYS 4 3.725 10.267 -0.305 29 H ARG 5 H ARG 5 6.923 8.660 -0.086 30 HA ARG 5 HA ARG 5 6.701 9.146 -2.951 31 1HB ARG 5 2HB ARG 5 9.038 9.407 -1.054 32 2HB ARG 5 1HB ARG 5 9.103 9.781 -2.771 33 1HG ARG 5 2HG ARG 5 7.743 11.650 -2.546 34 2HG ARG 5 1HG ARG 5 7.101 11.113 -0.993 35 1HD ARG 5 2HD ARG 5 9.799 11.307 -0.508 36 2HD ARG 5 1HD ARG 5 9.502 12.658 -1.601 37 HE ARG 5 HE ARG 5 7.620 12.470 0.569 38 1HH1 ARG 5 1HH1 ARG 5 10.711 13.732 -0.448 39 2HH1 ARG 5 2HH1 ARG 5 10.716 15.007 0.723 40 1HH2 ARG 5 1HH2 ARG 5 7.625 14.147 2.110 41 2HH2 ARG 5 2HH2 ARG 5 8.965 15.243 2.176 42 H LEU 6 H LEU 6 7.668 6.655 -0.766 43 HA LEU 6 HA LEU 6 9.036 5.213 -2.927 44 1HB LEU 6 2HB LEU 6 9.510 3.611 -0.884 45 2HB LEU 6 1HB LEU 6 10.483 5.038 -1.181 46 HG LEU 6 HG LEU 6 8.126 5.273 0.636 47 1HD1 LEU 6 1HD1 LEU 6 8.972 3.453 1.733 48 2HD1 LEU 6 2HD1 LEU 6 9.932 4.738 2.466 49 3HD1 LEU 6 3HD1 LEU 6 10.621 3.747 1.181 50 1HD2 LEU 6 1HD2 LEU 6 10.876 6.513 0.612 51 2HD2 LEU 6 2HD2 LEU 6 9.567 6.917 1.722 52 3HD2 LEU 6 3HD2 LEU 6 9.401 7.260 0.000 53 HA PRO 7 HA PRO 7 5.513 2.535 -3.262 54 1HB PRO 7 2HB PRO 7 6.520 0.691 -4.911 55 2HB PRO 7 1HB PRO 7 6.260 2.355 -5.451 56 1HG PRO 7 2HG PRO 7 8.794 1.012 -4.603 57 2HG PRO 7 1HG PRO 7 8.518 2.135 -5.945 58 1HD PRO 7 2HD PRO 7 9.572 2.847 -3.493 59 2HD PRO 7 1HD PRO 7 8.768 3.969 -4.609 60 H SER 8 H SER 8 4.782 0.390 -2.748 61 HA SER 8 HA SER 8 6.530 -0.979 -0.815 62 1HB SER 8 2HB SER 8 3.921 -0.005 -0.514 63 2HB SER 8 1HB SER 8 3.745 -1.755 -0.641 64 HG SER 8 HG SER 8 5.392 -1.891 1.013 65 H ASP 9 H ASP 9 6.552 -3.274 -0.757 66 HA ASP 9 HA ASP 9 6.039 -4.462 -3.382 67 1HB ASP 9 2HB ASP 9 8.293 -4.600 -2.093 68 2HB ASP 9 1HB ASP 9 7.485 -5.841 -1.139 69 H ARG 10 H ARG 10 4.793 -6.284 -3.682 70 HA ARG 10 HA ARG 10 2.827 -6.793 -1.602 71 1HB ARG 10 2HB ARG 10 1.610 -7.991 -3.362 72 2HB ARG 10 1HB ARG 10 2.036 -6.364 -3.867 73 1HG ARG 10 2HG ARG 10 4.083 -7.467 -4.966 74 2HG ARG 10 1HG ARG 10 3.187 -8.974 -4.769 75 1HD ARG 10 2HD ARG 10 1.999 -6.552 -6.093 76 2HD ARG 10 1HD ARG 10 2.927 -7.758 -6.986 77 HE ARG 10 HE ARG 10 0.845 -8.924 -5.424 78 1HH1 ARG 10 1HH1 ARG 10 1.523 -7.282 -8.429 79 2HH1 ARG 10 2HH1 ARG 10 0.173 -7.976 -9.262 80 1HH2 ARG 10 1HH2 ARG 10 -0.937 -9.845 -6.528 81 2HH2 ARG 10 2HH2 ARG 10 -1.221 -9.431 -8.185 82 HN2 GLY 11 H GLY 11 5.782 -8.038 -2.304 83 1HA GLY 11 2HA GLY 11 6.817 -10.053 -1.910 84 2HA GLY 11 1HA GLY 11 5.663 -10.176 -0.592 85 H ARG 12 H ARG 12 6.503 -11.236 -3.777 86 HA ARG 12 HA ARG 12 4.138 -12.542 -4.512 87 1HB ARG 12 2HB ARG 12 6.708 -12.271 -5.564 88 2HB ARG 12 1HB ARG 12 6.513 -14.002 -5.328 89 1HG ARG 12 2HG ARG 12 5.519 -13.990 -7.319 90 2HG ARG 12 1HG ARG 12 4.131 -13.297 -6.478 91 1HD ARG 12 2HD ARG 12 4.432 -11.266 -7.395 92 2HD ARG 12 1HD ARG 12 6.188 -11.353 -7.253 93 HE ARG 12 HE ARG 12 5.503 -13.113 -9.260 94 1HH1 ARG 12 1HH1 ARG 12 5.148 -9.693 -8.665 95 2HH1 ARG 12 2HH1 ARG 12 5.193 -9.269 -10.344 96 1HH2 ARG 12 1HH2 ARG 12 5.564 -12.558 -11.467 97 2HH2 ARG 12 2HH2 ARG 12 5.430 -10.896 -11.934 98 H CYS 13 H CYS 13 6.370 -13.252 -2.036 99 HA CYS 13 HA CYS 13 6.590 -15.882 -1.691 100 1HB CYS 13 2HB CYS 13 5.937 -15.347 0.841 101 2HB CYS 13 1HB CYS 13 7.442 -14.790 0.121 102 H LYS 14 H LYS 14 3.935 -14.622 0.277 103 HA LYS 14 HA LYS 14 2.314 -16.902 -0.630 104 1HB LYS 14 2HB LYS 14 2.581 -15.523 2.014 105 2HB LYS 14 1HB LYS 14 1.085 -16.356 1.619 106 1HG LYS 14 2HG LYS 14 2.248 -17.996 2.719 107 2HG LYS 14 1HG LYS 14 2.666 -18.342 1.040 108 1HD LYS 14 2HD LYS 14 4.623 -16.598 1.671 109 2HD LYS 14 1HD LYS 14 4.344 -17.336 3.248 110 1HE LYS 14 2HE LYS 14 5.207 -19.317 2.613 111 2HE LYS 14 1HE LYS 14 4.486 -19.227 1.006 112 1HZ LYS 14 1HZ LYS 14 6.648 -18.977 0.442 113 2HZ LYS 14 2HZ LYS 14 7.093 -18.301 1.928 114 3HZ LYS 14 3HZ LYS 14 6.317 -17.349 0.766 115 H ALA 15 H ALA 15 2.284 -14.638 -2.212 116 HA ALA 15 HA ALA 15 0.481 -12.633 -1.728 117 1HB ALA 15 1HB ALA 15 0.308 -13.847 -4.417 118 2HB ALA 15 2HB ALA 15 1.911 -13.355 -3.873 119 3HB ALA 15 3HB ALA 15 0.603 -12.175 -3.940 120 H SER 16 H SER 16 -1.401 -12.999 -0.689 121 HA SER 16 HA SER 16 -3.443 -14.503 -2.122 122 1HB SER 16 2HB SER 16 -2.188 -15.910 -0.282 123 2HB SER 16 1HB SER 16 -3.249 -15.027 0.813 124 HG SER 16 HG SER 16 -4.867 -16.192 0.155 125 H PHE 17 H PHE 17 -2.581 -12.082 0.244 126 HA PHE 17 HA PHE 17 -5.409 -11.339 0.518 127 1HB PHE 17 2HB PHE 17 -3.037 -10.496 2.196 128 2HB PHE 17 1HB PHE 17 -4.713 -10.047 2.486 129 HD1 PHE 17 HD1 PHE 17 -6.363 -11.830 3.093 130 HD2 PHE 17 HD2 PHE 17 -2.167 -12.534 2.970 131 HE1 PHE 17 HE1 PHE 17 -6.665 -13.843 4.474 132 HE2 PHE 17 HE2 PHE 17 -2.461 -14.550 4.350 133 HZ PHE 17 HZ PHE 17 -4.712 -15.207 5.104 134 H GLU 18 H GLU 18 -6.106 -9.699 -0.669 135 HA GLU 18 HA GLU 18 -4.336 -8.052 -2.171 136 1HB GLU 18 2HB GLU 18 -7.302 -8.155 -1.770 137 2HB GLU 18 1HB GLU 18 -6.583 -6.761 -2.566 138 1HG GLU 18 2HG GLU 18 -5.425 -8.542 -4.058 139 2HG GLU 18 1HG GLU 18 -6.706 -9.601 -3.469 140 H ARG 19 H ARG 19 -3.486 -6.121 -1.706 141 HA ARG 19 HA ARG 19 -4.579 -4.603 0.558 142 1HB ARG 19 2HB ARG 19 -1.649 -5.154 0.063 143 2HB ARG 19 1HB ARG 19 -2.286 -4.086 1.307 144 1HG ARG 19 2HG ARG 19 -2.827 -7.043 1.123 145 2HG ARG 19 1HG ARG 19 -1.637 -6.285 2.185 146 1HD ARG 19 2HD ARG 19 -3.196 -5.768 3.689 147 2HD ARG 19 1HD ARG 19 -4.234 -5.047 2.460 148 HE ARG 19 HE ARG 19 -4.629 -7.677 2.075 149 1HH1 ARG 19 1HH1 ARG 19 -4.697 -5.701 4.951 150 2HH1 ARG 19 2HH1 ARG 19 -5.888 -6.676 5.745 151 1HH2 ARG 19 1HH2 ARG 19 -6.205 -8.956 3.117 152 2HH2 ARG 19 2HH2 ARG 19 -6.741 -8.523 4.705 153 H TRP 20 H TRP 20 -3.412 -2.348 0.620 154 HA TRP 20 HA TRP 20 -3.320 -1.335 -2.147 155 1HB TRP 20 2HB TRP 20 -4.439 -0.029 0.336 156 2HB TRP 20 1HB TRP 20 -4.205 0.812 -1.193 157 HD1 TRP 20 HD1 TRP 20 -6.312 -2.012 0.355 158 HE1 TRP 20 HE1 TRP 20 -8.443 -2.296 -1.055 159 HE3 TRP 20 HE3 TRP 20 -5.202 1.223 -3.440 160 HZ2 TRP 20 HZ2 TRP 20 -9.509 -1.285 -3.459 161 HZ3 TRP 20 HZ3 TRP 20 -6.831 1.507 -5.260 162 HH2 TRP 20 HH2 TRP 20 -8.942 0.278 -5.270 163 H TYR 21 H TYR 21 -2.128 0.713 -2.410 164 HA TYR 21 HA TYR 21 -0.068 1.307 -0.444 165 1HB TYR 21 2HB TYR 21 1.639 1.122 -2.460 166 2HB TYR 21 1HB TYR 21 1.251 -0.295 -1.485 167 HD1 TYR 21 HD1 TYR 21 -0.615 -1.818 -2.331 168 HD2 TYR 21 HD2 TYR 21 1.307 1.078 -4.775 169 HE1 TYR 21 HE1 TYR 21 -1.439 -2.962 -4.324 170 HE2 TYR 21 HE2 TYR 21 0.487 -0.071 -6.789 171 HH TYR 21 HH TYR 21 -0.354 -2.221 -7.488 172 H PHE 22 H PHE 22 1.346 3.157 -1.286 173 HA PHE 22 HA PHE 22 -0.419 5.037 -2.682 174 1HB PHE 22 2HB PHE 22 1.043 5.322 -0.362 175 2HB PHE 22 1HB PHE 22 2.044 6.143 -1.555 176 HD1 PHE 22 HD1 PHE 22 0.998 7.958 -2.959 177 HD2 PHE 22 HD2 PHE 22 -0.872 6.336 0.500 178 HE1 PHE 22 HE1 PHE 22 -0.452 9.941 -2.820 179 HE2 PHE 22 HE2 PHE 22 -2.325 8.314 0.646 180 HZ PHE 22 HZ PHE 22 -2.118 10.120 -1.015 181 H ASN 23 H ASN 23 -0.084 4.640 -4.825 182 HA ASN 23 HA ASN 23 2.598 4.427 -5.891 183 1HB ASN 23 2HB ASN 23 0.567 3.146 -6.756 184 2HB ASN 23 1HB ASN 23 0.043 4.664 -7.479 185 1HD2 ASN 23 1HD2 ASN 23 1.107 5.467 -9.250 186 2HD2 ASN 23 2HD2 ASN 23 2.281 4.559 -10.134 187 HN2 GLY 24 H GLY 24 2.918 6.684 -4.843 188 1HA GLY 24 2HA GLY 24 3.660 8.804 -5.419 189 2HA GLY 24 1HA GLY 24 2.964 8.579 -7.017 190 H ARG 25 H ARG 25 0.672 8.927 -7.281 191 HA ARG 25 HA ARG 25 -0.407 10.784 -5.263 192 1HB ARG 25 2HB ARG 25 -1.740 11.694 -7.261 193 2HB ARG 25 1HB ARG 25 -0.029 12.089 -7.169 194 1HG ARG 25 2HG ARG 25 -0.594 9.638 -8.654 195 2HG ARG 25 1HG ARG 25 -1.308 11.090 -9.358 196 1HD ARG 25 2HD ARG 25 0.675 11.838 -10.054 197 2HD ARG 25 1HD ARG 25 1.424 11.530 -8.487 198 HE ARG 25 HE ARG 25 2.238 9.548 -9.299 199 1HH1 ARG 25 1HH1 ARG 25 -0.212 10.747 -11.477 200 2HH1 ARG 25 2HH1 ARG 25 0.120 9.567 -12.700 201 1HH2 ARG 25 1HH2 ARG 25 2.676 7.996 -10.907 202 2HH2 ARG 25 2HH2 ARG 25 1.758 8.004 -12.377 203 H THR 26 H THR 26 -1.069 8.044 -7.328 204 HA THR 26 HA THR 26 -3.813 7.914 -6.282 205 HB THR 26 HB THR 26 -2.873 6.080 -8.434 206 HG1 THR 26 HG1 THR 26 -2.711 7.596 -9.893 207 1HG2 THR 26 1HG2 THR 26 -5.377 6.930 -7.376 208 2HG2 THR 26 2HG2 THR 26 -5.039 5.694 -8.588 209 3HG2 THR 26 3HG2 THR 26 -5.281 7.370 -9.082 210 H CYS 27 H CYS 27 -4.584 6.081 -5.263 211 HA CYS 27 HA CYS 27 -2.532 4.390 -4.076 212 1HB CYS 27 2HB CYS 27 -5.400 4.988 -3.437 213 2HB CYS 27 1HB CYS 27 -4.641 3.542 -2.779 214 H ALA 28 H ALA 28 -1.964 2.683 -5.237 215 HA ALA 28 HA ALA 28 -3.908 1.291 -6.889 216 1HB ALA 28 1HB ALA 28 -1.669 -0.112 -7.299 217 2HB ALA 28 2HB ALA 28 -0.963 1.415 -6.765 218 3HB ALA 28 3HB ALA 28 -2.045 1.381 -8.157 219 H LYS 29 H LYS 29 -3.476 -1.259 -6.875 220 HA LYS 29 HA LYS 29 -3.288 -2.233 -4.130 221 1HB LYS 29 2HB LYS 29 -5.405 -3.422 -4.264 222 2HB LYS 29 1HB LYS 29 -5.660 -1.696 -4.484 223 1HG LYS 29 2HG LYS 29 -5.932 -1.972 -6.847 224 2HG LYS 29 1HG LYS 29 -5.477 -3.674 -6.744 225 1HD LYS 29 2HD LYS 29 -7.476 -3.906 -5.150 226 2HD LYS 29 1HD LYS 29 -7.982 -2.334 -5.773 227 1HE LYS 29 2HE LYS 29 -7.912 -3.265 -8.063 228 2HE LYS 29 1HE LYS 29 -7.508 -4.841 -7.383 229 1HZ LYS 29 1HZ LYS 29 -9.962 -3.361 -6.635 230 2HZ LYS 29 2HZ LYS 29 -9.601 -4.988 -6.347 231 3HZ LYS 29 3HZ LYS 29 -9.915 -4.458 -7.923 232 H PHE 30 H PHE 30 -2.913 -4.448 -3.920 233 HA PHE 30 HA PHE 30 -2.685 -6.164 -6.206 234 1HB PHE 30 2HB PHE 30 -0.221 -6.614 -5.787 235 2HB PHE 30 1HB PHE 30 -0.604 -5.098 -6.585 236 HD1 PHE 30 HD2 PHE 30 -1.192 -5.315 -2.991 237 HD2 PHE 30 HD1 PHE 30 1.642 -4.309 -6.003 238 HE1 PHE 30 HE2 PHE 30 0.146 -4.112 -1.323 239 HE2 PHE 30 HE1 PHE 30 2.986 -3.105 -4.335 240 HZ PHE 30 HZ PHE 30 2.239 -3.005 -1.992 241 H ILE 31 H ILE 31 -1.488 -8.302 -5.422 242 HA ILE 31 HA ILE 31 -2.850 -9.029 -2.953 243 HB ILE 31 HB ILE 31 -1.334 -10.769 -4.898 244 1HG1 ILE 31 2HG1 ILE 31 -4.209 -11.162 -4.732 245 2HG1 ILE 31 1HG1 ILE 31 -3.809 -9.517 -5.216 246 1HG2 ILE 31 1HG2 ILE 31 -1.411 -11.720 -2.652 247 2HG2 ILE 31 2HG2 ILE 31 -2.427 -12.640 -3.763 248 3HG2 ILE 31 3HG2 ILE 31 -3.164 -11.518 -2.620 249 1HD1 ILE 31 1HD1 ILE 31 -3.257 -10.172 -7.252 250 2HD1 ILE 31 2HD1 ILE 31 -3.939 -11.745 -6.842 251 3HD1 ILE 31 3HD1 ILE 31 -2.213 -11.451 -6.635 252 H TYR 32 H TYR 32 -1.792 -8.599 -1.154 253 HA TYR 32 HA TYR 32 1.107 -8.666 -1.057 254 1HB TYR 32 2HB TYR 32 -0.022 -6.801 0.005 255 2HB TYR 32 1HB TYR 32 -0.984 -7.898 0.988 256 HD1 TYR 32 HD2 TYR 32 2.582 -7.011 0.318 257 HD2 TYR 32 HD1 TYR 32 -0.298 -8.349 3.148 258 HE1 TYR 32 HE2 TYR 32 4.279 -6.894 2.093 259 HE2 TYR 32 HE1 TYR 32 1.391 -8.233 4.931 260 HH TYR 32 HH TYR 32 4.717 -7.848 4.290 261 HN2 GLY 33 H GLY 33 2.003 -10.604 -0.840 262 1HA GLY 33 2HA GLY 33 0.695 -12.769 0.525 263 2HA GLY 33 1HA GLY 33 2.309 -12.798 -0.172 264 HN2 GLY 34 H GLY 34 3.016 -10.325 1.386 265 1HA GLY 34 2HA GLY 34 2.923 -10.088 3.942 266 2HA GLY 34 1HA GLY 34 3.551 -11.726 3.920 267 H CYS 35 H CYS 35 4.965 -10.378 1.302 268 HA CYS 35 HA CYS 35 7.281 -9.505 2.903 269 1HB CYS 35 2HB CYS 35 7.418 -10.504 0.062 270 2HB CYS 35 1HB CYS 35 8.734 -10.313 1.210 271 HN2 GLY 36 H GLY 36 6.420 -7.356 3.014 272 1HA GLY 36 2HA GLY 36 6.325 -5.901 0.471 273 2HA GLY 36 1HA GLY 36 5.724 -5.311 2.012 274 HN2 GLY 37 H GLY 37 7.781 -5.500 3.698 275 1HA GLY 37 2HA GLY 37 9.739 -4.497 4.339 276 2HA GLY 37 1HA GLY 37 10.312 -4.793 2.703 277 H ASN 38 H ASN 38 7.618 -2.765 3.820 278 HA ASN 38 HA ASN 38 9.015 -0.319 3.507 279 1HB ASN 38 2HB ASN 38 8.545 -1.314 1.088 280 2HB ASN 38 1HB ASN 38 6.964 -0.591 1.363 281 1HD2 ASN 38 1HD2 ASN 38 10.418 0.151 1.524 282 2HD2 ASN 38 2HD2 ASN 38 10.265 1.796 1.017 283 HN2 GLY 39 H GLY 39 7.734 1.520 3.928 284 1HA GLY 39 2HA GLY 39 5.405 0.925 5.560 285 2HA GLY 39 1HA GLY 39 6.237 2.467 5.451 286 H ASN 40 H ASN 40 5.768 1.446 2.353 287 HA ASN 40 HA ASN 40 3.562 3.296 1.990 288 1HB ASN 40 2HB ASN 40 5.459 3.502 0.509 289 2HB ASN 40 1HB ASN 40 5.337 1.810 0.043 290 1HD2 ASN 40 1HD2 ASN 40 4.281 4.994 -0.535 291 2HD2 ASN 40 2HD2 ASN 40 3.191 4.641 -1.827 292 H LYS 41 H LYS 41 3.700 0.101 2.733 293 HA LYS 41 HA LYS 41 1.540 -0.728 0.948 294 1HB LYS 41 2HB LYS 41 1.845 -2.945 2.195 295 2HB LYS 41 1HB LYS 41 3.144 -2.430 1.132 296 1HG LYS 41 2HG LYS 41 4.613 -2.287 2.809 297 2HG LYS 41 1HG LYS 41 3.453 -1.500 3.882 298 1HD LYS 41 2HD LYS 41 2.671 -3.495 4.719 299 2HD LYS 41 1HD LYS 41 3.113 -4.399 3.269 300 1HE LYS 41 2HE LYS 41 4.842 -5.134 4.489 301 2HE LYS 41 1HE LYS 41 5.547 -3.549 4.171 302 1HZ LYS 41 1HZ LYS 41 5.224 -2.889 6.281 303 2HZ LYS 41 2HZ LYS 41 5.185 -4.547 6.613 304 3HZ LYS 41 3HZ LYS 41 3.739 -3.686 6.436 305 H PHE 42 H PHE 42 -0.482 -0.352 1.538 306 HA PHE 42 HA PHE 42 -1.140 -0.334 4.408 307 1HB PHE 42 2HB PHE 42 -2.605 1.100 2.184 308 2HB PHE 42 1HB PHE 42 -2.936 1.221 3.909 309 HD1 PHE 42 HD2 PHE 42 -1.210 2.267 5.403 310 HD2 PHE 42 HD1 PHE 42 -0.993 2.457 1.157 311 HE1 PHE 42 HE2 PHE 42 0.356 4.157 5.572 312 HE2 PHE 42 HE1 PHE 42 0.575 4.346 1.318 313 HZ PHE 42 HZ PHE 42 1.250 5.200 3.528 314 HA PRO 43 HA PRO 43 -3.905 -3.707 3.793 315 1HB PRO 43 2HB PRO 43 -5.882 -2.473 5.575 316 2HB PRO 43 1HB PRO 43 -4.916 -3.930 5.813 317 1HG PRO 43 2HG PRO 43 -4.466 -1.669 7.207 318 2HG PRO 43 1HG PRO 43 -3.156 -2.773 6.746 319 1HD PRO 43 2HD PRO 43 -3.982 -0.179 5.492 320 2HD PRO 43 1HD PRO 43 -2.351 -0.807 5.816 321 H THR 44 H THR 44 -5.880 -0.751 4.150 322 HA THR 44 HA THR 44 -7.419 -1.607 1.790 323 HB THR 44 HB THR 44 -9.225 -0.082 2.877 324 HG1 THR 44 HG1 THR 44 -9.047 -0.080 5.165 325 1HG2 THR 44 1HG2 THR 44 -10.078 -2.138 2.984 326 2HG2 THR 44 2HG2 THR 44 -9.548 -2.102 4.667 327 3HG2 THR 44 3HG2 THR 44 -8.534 -2.860 3.439 328 H GLN 45 H GLN 45 -8.573 0.298 0.721 329 HA GLN 45 HA GLN 45 -6.606 2.147 -0.153 330 1HB GLN 45 2HB GLN 45 -8.653 1.215 -1.427 331 2HB GLN 45 1HB GLN 45 -9.558 2.485 -0.616 332 1HG GLN 45 2HG GLN 45 -7.492 3.912 -1.597 333 2HG GLN 45 1HG GLN 45 -7.623 2.649 -2.819 334 1HE2 GLN 45 1HE2 GLN 45 -9.108 2.869 -4.348 335 2HE2 GLN 45 2HE2 GLN 45 -10.395 4.021 -4.341 336 H GLU 46 H GLU 46 -9.095 2.240 2.271 337 HA GLU 46 HA GLU 46 -9.197 5.072 2.561 338 1HB GLU 46 2HB GLU 46 -10.804 3.122 3.408 339 2HB GLU 46 1HB GLU 46 -9.829 3.288 4.861 340 1HG GLU 46 2HG GLU 46 -10.447 5.889 4.245 341 2HG GLU 46 1HG GLU 46 -11.911 5.015 3.794 342 H ALA 47 H ALA 47 -7.117 2.569 3.767 343 HA ALA 47 HA ALA 47 -6.044 3.968 5.985 344 1HB ALA 47 1HB ALA 47 -4.142 2.303 5.714 345 2HB ALA 47 2HB ALA 47 -5.058 1.642 4.359 346 3HB ALA 47 3HB ALA 47 -5.753 1.634 5.981 347 H CYS 48 H CYS 48 -4.819 3.482 2.671 348 HA CYS 48 HA CYS 48 -2.485 4.996 2.962 349 1HB CYS 48 2HB CYS 48 -2.338 4.994 0.567 350 2HB CYS 48 1HB CYS 48 -3.000 3.442 1.063 351 H MET 49 H MET 49 -5.741 5.953 1.962 352 HA MET 49 HA MET 49 -5.001 8.674 1.446 353 1HB MET 49 2HB MET 49 -7.106 7.142 0.698 354 2HB MET 49 1HB MET 49 -7.836 8.052 2.013 355 1HG MET 49 2HG MET 49 -6.315 9.773 0.266 356 2HG MET 49 1HG MET 49 -7.530 8.857 -0.627 357 1HE MET 49 1HE MET 49 -10.678 10.362 -0.087 358 2HE MET 49 2HE MET 49 -10.466 8.992 1.003 359 3HE MET 49 3HE MET 49 -9.715 8.973 -0.593 360 H LYS 50 H LYS 50 -6.003 6.877 4.232 361 HA LYS 50 HA LYS 50 -6.681 9.272 5.735 362 1HB LYS 50 2HB LYS 50 -7.991 7.178 5.997 363 2HB LYS 50 1HB LYS 50 -6.561 6.397 6.658 364 1HG LYS 50 2HG LYS 50 -6.562 8.152 8.455 365 2HG LYS 50 1HG LYS 50 -8.140 8.660 7.849 366 1HD LYS 50 2HD LYS 50 -9.183 6.921 8.802 367 2HD LYS 50 1HD LYS 50 -7.940 5.780 8.284 368 1HE LYS 50 2HE LYS 50 -6.497 6.717 10.138 369 2HE LYS 50 1HE LYS 50 -7.940 7.546 10.721 370 1HZ LYS 50 1HZ LYS 50 -8.162 5.658 11.901 371 2HZ LYS 50 2HZ LYS 50 -7.254 4.724 10.822 372 3HZ LYS 50 3HZ LYS 50 -8.873 5.076 10.481 373 H ARG 51 H ARG 51 -3.894 7.460 5.057 374 HA ARG 51 HA ARG 51 -2.578 8.407 7.512 375 1HB ARG 51 2HB ARG 51 -1.748 6.227 5.591 376 2HB ARG 51 1HB ARG 51 -0.830 6.727 7.006 377 1HG ARG 51 2HG ARG 51 -3.623 6.007 7.540 378 2HG ARG 51 1HG ARG 51 -2.605 4.687 6.960 379 1HD ARG 51 2HD ARG 51 -2.261 4.542 9.227 380 2HD ARG 51 1HD ARG 51 -0.928 5.592 8.750 381 HE ARG 51 HE ARG 51 -2.911 7.333 9.354 382 1HH1 ARG 51 1HH1 ARG 51 -1.461 4.663 11.072 383 2HH1 ARG 51 2HH1 ARG 51 -1.741 5.354 12.634 384 1HH2 ARG 51 1HH2 ARG 51 -3.280 8.243 11.410 385 2HH2 ARG 51 2HH2 ARG 51 -2.774 7.386 12.826 386 H CYS 52 H CYS 52 -2.697 8.835 4.100 387 HA CYS 52 HA CYS 52 -0.223 10.433 4.229 388 1HB CYS 52 2HB CYS 52 -1.051 8.398 2.367 389 2HB CYS 52 1HB CYS 52 -0.808 9.923 1.523 390 H ALA 53 H ALA 53 -3.548 10.310 3.086 391 HA ALA 53 HA ALA 53 -3.391 12.950 1.915 392 1HB ALA 53 1HB ALA 53 -4.961 10.797 1.391 393 2HB ALA 53 2HB ALA 53 -5.317 12.446 0.879 394 3HB ALA 53 3HB ALA 53 -6.055 11.799 2.344 395 H LYS 54 H LYS 54 -4.308 11.520 4.938 396 HA LYS 54 HA LYS 54 -5.556 14.014 5.822 397 1HB LYS 54 2HB LYS 54 -5.740 11.189 6.631 398 2HB LYS 54 1HB LYS 54 -5.736 12.336 7.964 399 1HG LYS 54 2HG LYS 54 -7.741 13.259 7.361 400 2HG LYS 54 1HG LYS 54 -7.549 12.836 5.659 401 1HD LYS 54 2HD LYS 54 -7.611 10.408 7.082 402 2HD LYS 54 1HD LYS 54 -8.907 11.406 7.745 403 1HE LYS 54 2HE LYS 54 -9.576 11.853 5.328 404 2HE LYS 54 1HE LYS 54 -8.490 10.532 4.898 405 1HZ LYS 54 1HZ LYS 54 -9.929 9.387 6.821 406 2HZ LYS 54 2HZ LYS 54 -10.341 9.314 5.182 407 3HZ LYS 54 3HZ LYS 54 -11.087 10.448 6.190 408 H ALA 55 H ALA 55 -2.831 11.890 6.483 409 HA ALA 55 HA ALA 55 -1.833 13.814 8.471 410 1HB ALA 55 1HB ALA 55 -0.858 12.115 9.592 411 2HB ALA 55 2HB ALA 55 -0.424 11.247 8.119 412 3HB ALA 55 3HB ALA 55 -2.069 11.150 8.748 Start of MODEL 15 1 1H ILE 1 1H ILE 1 6.175 14.542 2.096 2 2H ILE 1 2H ILE 1 6.510 14.665 3.774 3 3H ILE 1 3H ILE 1 4.889 14.732 3.214 4 HA ILE 1 HA ILE 1 5.810 12.601 4.233 5 HB ILE 1 HB ILE 1 3.590 12.870 3.190 6 1HG1 ILE 1 2HG1 ILE 1 3.447 10.445 2.302 7 2HG1 ILE 1 1HG1 ILE 1 5.161 10.350 2.694 8 1HG2 ILE 1 1HG2 ILE 1 3.294 12.227 0.820 9 2HG2 ILE 1 2HG2 ILE 1 5.048 12.197 0.639 10 3HG2 ILE 1 3HG2 ILE 1 4.227 13.710 1.024 11 1HD1 ILE 1 1HD1 ILE 1 3.232 9.651 4.391 12 2HD1 ILE 1 2HD1 ILE 1 3.377 11.357 4.816 13 3HD1 ILE 1 3HD1 ILE 1 4.785 10.301 4.917 14 H ASP 2 H ASP 2 7.048 10.810 3.892 15 HA ASP 2 HA ASP 2 8.803 10.883 1.529 16 1HB ASP 2 2HB ASP 2 10.311 9.418 2.993 17 2HB ASP 2 1HB ASP 2 10.166 11.115 3.441 18 H THR 3 H THR 3 6.908 8.761 3.623 19 HA THR 3 HA THR 3 7.434 6.309 2.454 20 HB THR 3 HB THR 3 4.792 7.277 3.559 21 HG1 THR 3 HG1 THR 3 6.392 7.510 5.093 22 1HG2 THR 3 1HG2 THR 3 5.458 4.783 2.419 23 2HG2 THR 3 2HG2 THR 3 3.979 5.250 3.258 24 3HG2 THR 3 3HG2 THR 3 5.328 4.561 4.163 25 H CYS 4 H CYS 4 5.166 8.815 1.444 26 HA CYS 4 HA CYS 4 3.825 7.373 -0.545 27 1HB CYS 4 2HB CYS 4 3.907 10.061 0.389 28 2HB CYS 4 1HB CYS 4 4.065 10.096 -1.364 29 H ARG 5 H ARG 5 7.037 8.569 -0.467 30 HA ARG 5 HA ARG 5 7.308 8.608 -3.362 31 1HB ARG 5 2HB ARG 5 9.329 9.086 -1.165 32 2HB ARG 5 1HB ARG 5 9.660 9.246 -2.885 33 1HG ARG 5 2HG ARG 5 8.111 11.069 -3.073 34 2HG ARG 5 1HG ARG 5 7.586 10.846 -1.403 35 1HD ARG 5 2HD ARG 5 10.388 11.125 -1.340 36 2HD ARG 5 1HD ARG 5 9.783 12.375 -2.424 37 HE ARG 5 HE ARG 5 8.335 12.196 0.051 38 1HH1 ARG 5 1HH1 ARG 5 11.110 13.587 -1.544 39 2HH1 ARG 5 2HH1 ARG 5 11.228 14.921 -0.447 40 1HH2 ARG 5 1HH2 ARG 5 8.490 13.950 1.495 41 2HH2 ARG 5 2HH2 ARG 5 9.741 15.127 1.278 42 H LEU 6 H LEU 6 8.280 6.637 -0.608 43 HA LEU 6 HA LEU 6 9.733 4.800 -2.338 44 1HB LEU 6 2HB LEU 6 10.047 3.549 -0.125 45 2HB LEU 6 1HB LEU 6 10.860 5.089 -0.325 46 HG LEU 6 HG LEU 6 8.221 5.349 0.906 47 1HD1 LEU 6 1HD1 LEU 6 8.352 3.605 2.291 48 2HD1 LEU 6 2HD1 LEU 6 9.635 4.502 3.102 49 3HD1 LEU 6 3HD1 LEU 6 10.038 3.292 1.884 50 1HD2 LEU 6 1HD2 LEU 6 10.069 7.069 0.716 51 2HD2 LEU 6 2HD2 LEU 6 10.919 6.156 1.963 52 3HD2 LEU 6 3HD2 LEU 6 9.346 6.875 2.312 53 HA PRO 7 HA PRO 7 5.840 2.554 -2.827 54 1HB PRO 7 2HB PRO 7 6.792 0.767 -4.644 55 2HB PRO 7 1HB PRO 7 6.292 2.407 -5.071 56 1HG PRO 7 2HG PRO 7 9.043 1.333 -4.582 57 2HG PRO 7 1HG PRO 7 8.481 2.433 -5.856 58 1HD PRO 7 2HD PRO 7 9.779 3.316 -3.658 59 2HD PRO 7 1HD PRO 7 8.513 4.271 -4.458 60 H SER 8 H SER 8 5.092 0.461 -2.299 61 HA SER 8 HA SER 8 6.979 -1.094 -0.656 62 1HB SER 8 2HB SER 8 4.746 0.032 0.251 63 2HB SER 8 1HB SER 8 4.026 -1.442 -0.392 64 HG SER 8 HG SER 8 5.259 -2.645 0.982 65 H ASP 9 H ASP 9 6.964 -3.368 -0.780 66 HA ASP 9 HA ASP 9 6.040 -4.380 -3.362 67 1HB ASP 9 2HB ASP 9 8.202 -5.058 -1.488 68 2HB ASP 9 1HB ASP 9 7.391 -6.458 -2.183 69 H ARG 10 H ARG 10 4.679 -6.162 -3.581 70 HA ARG 10 HA ARG 10 2.956 -6.632 -1.283 71 1HB ARG 10 2HB ARG 10 1.461 -7.715 -2.901 72 2HB ARG 10 1HB ARG 10 1.900 -6.092 -3.406 73 1HG ARG 10 2HG ARG 10 3.556 -7.025 -4.950 74 2HG ARG 10 1HG ARG 10 3.079 -8.653 -4.459 75 1HD ARG 10 2HD ARG 10 0.697 -7.377 -5.120 76 2HD ARG 10 1HD ARG 10 1.842 -6.860 -6.358 77 HE ARG 10 HE ARG 10 1.863 -9.686 -5.840 78 1HH1 ARG 10 1HH1 ARG 10 0.395 -7.119 -7.696 79 2HH1 ARG 10 2HH1 ARG 10 -0.119 -8.167 -8.974 80 1HH2 ARG 10 1HH2 ARG 10 1.185 -11.066 -7.523 81 2HH2 ARG 10 2HH2 ARG 10 0.327 -10.407 -8.876 82 HN2 GLY 11 H GLY 11 5.738 -7.976 -2.342 83 1HA GLY 11 2HA GLY 11 6.755 -10.006 -2.035 84 2HA GLY 11 1HA GLY 11 5.636 -10.190 -0.693 85 H ARG 12 H ARG 12 6.485 -11.225 -3.836 86 HA ARG 12 HA ARG 12 4.016 -12.446 -4.555 87 1HB ARG 12 2HB ARG 12 6.106 -11.871 -6.018 88 2HB ARG 12 1HB ARG 12 6.669 -13.459 -5.515 89 1HG ARG 12 2HG ARG 12 5.184 -14.546 -6.809 90 2HG ARG 12 1HG ARG 12 3.912 -13.353 -6.540 91 1HD ARG 12 2HD ARG 12 4.648 -13.386 -8.875 92 2HD ARG 12 1HD ARG 12 4.977 -11.834 -8.110 93 HE ARG 12 HE ARG 12 6.950 -13.855 -8.882 94 1HH1 ARG 12 1HH1 ARG 12 6.263 -10.687 -7.569 95 2HH1 ARG 12 2HH1 ARG 12 7.891 -10.130 -7.748 96 1HH2 ARG 12 1HH2 ARG 12 9.084 -13.113 -9.113 97 2HH2 ARG 12 2HH2 ARG 12 9.490 -11.502 -8.622 98 H CYS 13 H CYS 13 6.281 -13.180 -2.188 99 HA CYS 13 HA CYS 13 6.706 -15.821 -2.050 100 1HB CYS 13 2HB CYS 13 6.045 -15.494 0.524 101 2HB CYS 13 1HB CYS 13 7.520 -14.832 -0.168 102 H LYS 14 H LYS 14 3.958 -14.763 -0.068 103 HA LYS 14 HA LYS 14 2.507 -17.148 -0.999 104 1HB LYS 14 2HB LYS 14 2.649 -15.754 1.644 105 2HB LYS 14 1HB LYS 14 1.194 -16.648 1.226 106 1HG LYS 14 2HG LYS 14 3.975 -17.802 1.244 107 2HG LYS 14 1HG LYS 14 2.797 -17.968 2.548 108 1HD LYS 14 2HD LYS 14 1.245 -18.942 0.747 109 2HD LYS 14 1HD LYS 14 2.706 -19.109 -0.227 110 1HE LYS 14 2HE LYS 14 2.614 -21.166 0.798 111 2HE LYS 14 1HE LYS 14 3.649 -20.273 1.911 112 1HZ LYS 14 1HZ LYS 14 1.641 -19.807 3.250 113 2HZ LYS 14 2HZ LYS 14 2.012 -21.455 3.159 114 3HZ LYS 14 3HZ LYS 14 0.749 -20.821 2.230 115 H ALA 15 H ALA 15 2.293 -15.054 -2.673 116 HA ALA 15 HA ALA 15 0.421 -13.086 -2.265 117 1HB ALA 15 1HB ALA 15 -0.082 -13.867 -4.861 118 2HB ALA 15 2HB ALA 15 1.560 -14.443 -4.569 119 3HB ALA 15 3HB ALA 15 1.169 -12.739 -4.336 120 H SER 16 H SER 16 -1.434 -13.469 -1.183 121 HA SER 16 HA SER 16 -3.487 -14.989 -2.535 122 1HB SER 16 2HB SER 16 -2.008 -16.284 -0.547 123 2HB SER 16 1HB SER 16 -3.501 -15.798 0.256 124 HG SER 16 HG SER 16 -4.555 -16.755 -1.681 125 H PHE 17 H PHE 17 -2.886 -12.206 -1.644 126 HA PHE 17 HA PHE 17 -5.511 -11.614 -0.600 127 1HB PHE 17 2HB PHE 17 -3.133 -10.600 0.957 128 2HB PHE 17 1HB PHE 17 -4.837 -10.455 1.374 129 HD1 PHE 17 HD1 PHE 17 -1.959 -12.724 1.221 130 HD2 PHE 17 HD2 PHE 17 -6.016 -12.258 2.418 131 HE1 PHE 17 HE1 PHE 17 -1.801 -14.788 2.550 132 HE2 PHE 17 HE2 PHE 17 -5.865 -14.321 3.750 133 HZ PHE 17 HZ PHE 17 -3.754 -15.589 3.817 134 H GLU 18 H GLU 18 -5.828 -9.194 -0.437 135 HA GLU 18 HA GLU 18 -4.168 -7.823 -2.449 136 1HB GLU 18 2HB GLU 18 -7.145 -7.551 -1.986 137 2HB GLU 18 1HB GLU 18 -6.207 -6.564 -3.100 138 1HG GLU 18 2HG GLU 18 -5.580 -9.132 -3.860 139 2HG GLU 18 1HG GLU 18 -7.285 -9.241 -3.428 140 H ARG 19 H ARG 19 -3.162 -6.060 -1.729 141 HA ARG 19 HA ARG 19 -4.229 -4.752 0.692 142 1HB ARG 19 2HB ARG 19 -1.516 -5.639 -0.036 143 2HB ARG 19 1HB ARG 19 -1.600 -4.033 0.667 144 1HG ARG 19 2HG ARG 19 -1.193 -5.948 2.260 145 2HG ARG 19 1HG ARG 19 -2.497 -4.840 2.681 146 1HD ARG 19 2HD ARG 19 -4.087 -6.463 1.621 147 2HD ARG 19 1HD ARG 19 -2.741 -7.588 1.468 148 HE ARG 19 HE ARG 19 -4.159 -6.870 3.884 149 1HH1 ARG 19 1HH1 ARG 19 -1.284 -8.307 2.525 150 2HH1 ARG 19 2HH1 ARG 19 -0.911 -9.212 3.953 151 1HH2 ARG 19 1HH2 ARG 19 -3.670 -8.059 5.762 152 2HH2 ARG 19 2HH2 ARG 19 -2.266 -9.072 5.790 153 H TRP 20 H TRP 20 -3.354 -2.460 0.938 154 HA TRP 20 HA TRP 20 -3.548 -1.086 -1.663 155 1HB TRP 20 2HB TRP 20 -4.471 -0.174 1.072 156 2HB TRP 20 1HB TRP 20 -4.495 0.830 -0.374 157 HD1 TRP 20 HD1 TRP 20 -6.337 -2.042 1.305 158 HE1 TRP 20 HE1 TRP 20 -8.537 -2.475 0.051 159 HE3 TRP 20 HE3 TRP 20 -5.584 1.009 -2.727 160 HZ2 TRP 20 HZ2 TRP 20 -9.788 -1.639 -2.329 161 HZ3 TRP 20 HZ3 TRP 20 -7.334 1.134 -4.450 162 HH2 TRP 20 HH2 TRP 20 -9.395 -0.163 -4.255 163 H TYR 21 H TYR 21 -2.203 0.665 -2.060 164 HA TYR 21 HA TYR 21 -0.162 1.350 -0.084 165 1HB TYR 21 2HB TYR 21 1.540 1.139 -2.062 166 2HB TYR 21 1HB TYR 21 1.090 -0.303 -1.156 167 HD1 TYR 21 HD1 TYR 21 -1.041 -1.554 -2.139 168 HD2 TYR 21 HD2 TYR 21 1.519 1.003 -4.370 169 HE1 TYR 21 HE1 TYR 21 -1.816 -2.602 -4.208 170 HE2 TYR 21 HE2 TYR 21 0.751 -0.047 -6.460 171 HH TYR 21 HH TYR 21 -0.300 -2.133 -7.212 172 H PHE 22 H PHE 22 1.025 3.306 -0.647 173 HA PHE 22 HA PHE 22 -0.689 5.242 -1.895 174 1HB PHE 22 2HB PHE 22 2.180 5.717 -1.091 175 2HB PHE 22 1HB PHE 22 0.871 6.886 -1.191 176 HD1 PHE 22 HD1 PHE 22 2.259 4.097 0.768 177 HD2 PHE 22 HD2 PHE 22 -0.624 7.222 0.618 178 HE1 PHE 22 HE1 PHE 22 1.818 3.799 3.170 179 HE2 PHE 22 HE2 PHE 22 -1.071 6.930 3.020 180 HZ PHE 22 HZ PHE 22 0.150 5.217 4.298 181 H ASN 23 H ASN 23 -0.254 6.494 -3.737 182 HA ASN 23 HA ASN 23 1.880 5.539 -5.508 183 1HB ASN 23 2HB ASN 23 -0.383 4.452 -6.017 184 2HB ASN 23 1HB ASN 23 -0.907 6.050 -6.541 185 1HD2 ASN 23 1HD2 ASN 23 -0.685 6.457 -8.610 186 2HD2 ASN 23 2HD2 ASN 23 0.437 5.703 -9.685 187 HN2 GLY 24 H GLY 24 2.534 7.692 -4.370 188 1HA GLY 24 2HA GLY 24 3.240 9.840 -4.845 189 2HA GLY 24 1HA GLY 24 2.383 9.736 -6.377 190 H ARG 25 H ARG 25 -0.131 9.648 -5.993 191 HA ARG 25 HA ARG 25 -0.840 11.644 -3.954 192 1HB ARG 25 2HB ARG 25 -2.523 12.495 -5.710 193 2HB ARG 25 1HB ARG 25 -0.838 12.963 -5.877 194 1HG ARG 25 2HG ARG 25 -1.356 10.505 -7.285 195 2HG ARG 25 1HG ARG 25 -2.466 11.775 -7.800 196 1HD ARG 25 2HD ARG 25 -0.630 13.240 -8.315 197 2HD ARG 25 1HD ARG 25 0.528 12.094 -7.643 198 HE ARG 25 HE ARG 25 -1.040 11.009 -9.789 199 1HH1 ARG 25 1HH1 ARG 25 1.809 12.862 -8.995 200 2HH1 ARG 25 2HH1 ARG 25 2.626 12.474 -10.471 201 1HH2 ARG 25 1HH2 ARG 25 0.032 10.498 -11.731 202 2HH2 ARG 25 2HH2 ARG 25 1.617 11.132 -12.026 203 H THR 26 H THR 26 -1.952 9.055 -6.088 204 HA THR 26 HA THR 26 -4.300 8.696 -4.353 205 HB THR 26 HB THR 26 -4.000 7.342 -7.009 206 HG1 THR 26 HG1 THR 26 -4.416 9.113 -8.081 207 1HG2 THR 26 1HG2 THR 26 -6.016 6.643 -6.383 208 2HG2 THR 26 2HG2 THR 26 -6.554 8.269 -6.803 209 3HG2 THR 26 3HG2 THR 26 -6.160 7.875 -5.129 210 H CYS 27 H CYS 27 -5.021 6.336 -4.222 211 HA CYS 27 HA CYS 27 -2.745 4.783 -3.301 212 1HB CYS 27 2HB CYS 27 -5.112 5.173 -2.144 213 2HB CYS 27 1HB CYS 27 -5.533 3.752 -3.094 214 H ALA 28 H ALA 28 -3.015 2.315 -3.635 215 HA ALA 28 HA ALA 28 -3.944 1.655 -6.322 216 1HB ALA 28 1HB ALA 28 -1.107 1.513 -5.395 217 2HB ALA 28 2HB ALA 28 -1.760 2.160 -6.898 218 3HB ALA 28 3HB ALA 28 -1.707 0.418 -6.641 219 H LYS 29 H LYS 29 -3.430 -0.854 -6.680 220 HA LYS 29 HA LYS 29 -3.804 -2.338 -4.193 221 1HB LYS 29 2HB LYS 29 -5.775 -3.512 -5.061 222 2HB LYS 29 1HB LYS 29 -6.071 -1.786 -4.900 223 1HG LYS 29 2HG LYS 29 -6.310 -1.478 -7.123 224 2HG LYS 29 1HG LYS 29 -5.112 -2.708 -7.534 225 1HD LYS 29 2HD LYS 29 -6.662 -4.318 -7.712 226 2HD LYS 29 1HD LYS 29 -7.509 -3.788 -6.257 227 1HE LYS 29 2HE LYS 29 -8.977 -3.549 -8.146 228 2HE LYS 29 1HE LYS 29 -8.517 -1.946 -7.571 229 1HZ LYS 29 1HZ LYS 29 -8.131 -1.637 -9.758 230 2HZ LYS 29 2HZ LYS 29 -7.866 -3.277 -10.076 231 3HZ LYS 29 3HZ LYS 29 -6.637 -2.341 -9.388 232 H PHE 30 H PHE 30 -3.040 -4.389 -4.233 233 HA PHE 30 HA PHE 30 -2.420 -5.717 -6.708 234 1HB PHE 30 2HB PHE 30 0.007 -5.962 -6.157 235 2HB PHE 30 1HB PHE 30 -0.474 -4.340 -6.614 236 HD1 PHE 30 HD1 PHE 30 -1.567 -5.068 -3.310 237 HD2 PHE 30 HD2 PHE 30 1.848 -3.926 -5.580 238 HE1 PHE 30 HE1 PHE 30 -0.519 -4.179 -1.276 239 HE2 PHE 30 HE2 PHE 30 2.901 -3.033 -3.546 240 HZ PHE 30 HZ PHE 30 1.718 -3.159 -1.390 241 H ILE 31 H ILE 31 -1.064 -7.834 -6.136 242 HA ILE 31 HA ILE 31 -2.640 -9.131 -4.066 243 HB ILE 31 HB ILE 31 -0.650 -10.327 -5.993 244 1HG1 ILE 31 2HG1 ILE 31 -2.506 -9.325 -7.198 245 2HG1 ILE 31 1HG1 ILE 31 -2.656 -11.079 -7.238 246 1HG2 ILE 31 1HG2 ILE 31 -2.777 -11.683 -4.341 247 2HG2 ILE 31 2HG2 ILE 31 -1.057 -11.658 -3.946 248 3HG2 ILE 31 3HG2 ILE 31 -1.613 -12.461 -5.415 249 1HD1 ILE 31 1HD1 ILE 31 -4.157 -9.253 -5.377 250 2HD1 ILE 31 2HD1 ILE 31 -4.348 -11.002 -5.515 251 3HD1 ILE 31 3HD1 ILE 31 -4.798 -9.955 -6.862 252 H TYR 32 H TYR 32 -1.896 -8.943 -2.059 253 HA TYR 32 HA TYR 32 0.958 -8.859 -1.528 254 1HB TYR 32 2HB TYR 32 -0.898 -7.411 -0.407 255 2HB TYR 32 1HB TYR 32 -1.152 -8.831 0.601 256 HD1 TYR 32 HD2 TYR 32 0.570 -9.564 2.169 257 HD2 TYR 32 HD1 TYR 32 1.099 -6.066 -0.190 258 HE1 TYR 32 HE2 TYR 32 2.421 -8.865 3.632 259 HE2 TYR 32 HE1 TYR 32 2.952 -5.357 1.264 260 HH TYR 32 HH TYR 32 4.355 -7.441 3.603 261 HN2 GLY 33 H GLY 33 2.126 -10.535 -0.916 262 1HA GLY 33 2HA GLY 33 0.731 -13.034 -0.261 263 2HA GLY 33 1HA GLY 33 2.383 -12.910 -0.847 264 HN2 GLY 34 H GLY 34 2.884 -10.662 1.098 265 1HA GLY 34 2HA GLY 34 2.616 -10.843 3.660 266 2HA GLY 34 1HA GLY 34 3.363 -12.412 3.415 267 H CYS 35 H CYS 35 4.832 -10.653 1.135 268 HA CYS 35 HA CYS 35 6.976 -9.842 2.982 269 1HB CYS 35 2HB CYS 35 7.309 -10.499 0.054 270 2HB CYS 35 1HB CYS 35 8.571 -10.300 1.260 271 HN2 GLY 36 H GLY 36 6.545 -7.731 3.368 272 1HA GLY 36 2HA GLY 36 6.004 -5.968 1.092 273 2HA GLY 36 1HA GLY 36 5.769 -5.560 2.782 274 HN2 GLY 37 H GLY 37 7.934 -5.684 4.070 275 1HA GLY 37 2HA GLY 37 10.046 -4.856 4.420 276 2HA GLY 37 1HA GLY 37 10.355 -5.123 2.711 277 H ASN 38 H ASN 38 7.890 -3.024 4.150 278 HA ASN 38 HA ASN 38 9.359 -0.626 3.817 279 1HB ASN 38 2HB ASN 38 8.638 -1.526 1.407 280 2HB ASN 38 1HB ASN 38 7.144 -0.699 1.836 281 1HD2 ASN 38 1HD2 ASN 38 10.646 -0.219 1.719 282 2HD2 ASN 38 2HD2 ASN 38 10.577 1.449 1.279 283 HN2 GLY 39 H GLY 39 7.739 1.311 3.748 284 1HA GLY 39 2HA GLY 39 5.646 0.720 5.739 285 2HA GLY 39 1HA GLY 39 6.520 2.239 5.628 286 H ASN 40 H ASN 40 5.896 1.288 2.530 287 HA ASN 40 HA ASN 40 3.745 3.222 2.305 288 1HB ASN 40 2HB ASN 40 5.419 3.544 0.695 289 2HB ASN 40 1HB ASN 40 5.554 1.826 0.352 290 1HD2 ASN 40 1HD2 ASN 40 4.243 4.750 -0.616 291 2HD2 ASN 40 2HD2 ASN 40 3.146 4.157 -1.812 292 H LYS 41 H LYS 41 3.897 -0.098 2.759 293 HA LYS 41 HA LYS 41 1.540 -0.692 1.145 294 1HB LYS 41 2HB LYS 41 1.836 -3.008 1.972 295 2HB LYS 41 1HB LYS 41 3.268 -2.386 1.167 296 1HG LYS 41 2HG LYS 41 4.406 -3.086 2.942 297 2HG LYS 41 1HG LYS 41 3.689 -1.729 3.812 298 1HD LYS 41 2HD LYS 41 1.917 -3.102 4.639 299 2HD LYS 41 1HD LYS 41 2.397 -4.443 3.599 300 1HE LYS 41 2HE LYS 41 3.980 -5.132 5.027 301 2HE LYS 41 1HE LYS 41 4.537 -3.488 5.342 302 1HZ LYS 41 1HZ LYS 41 3.411 -4.889 7.209 303 2HZ LYS 41 2HZ LYS 41 1.978 -4.357 6.485 304 3HZ LYS 41 3HZ LYS 41 3.094 -3.232 7.077 305 H PHE 42 H PHE 42 -0.380 -1.629 2.086 306 HA PHE 42 HA PHE 42 -0.800 -1.504 4.920 307 1HB PHE 42 2HB PHE 42 -1.642 0.737 3.186 308 2HB PHE 42 1HB PHE 42 -2.868 0.142 4.301 309 HD1 PHE 42 HD2 PHE 42 -1.237 -0.604 6.632 310 HD2 PHE 42 HD1 PHE 42 -0.982 2.779 4.061 311 HE1 PHE 42 HE2 PHE 42 -0.213 0.695 8.451 312 HE2 PHE 42 HE1 PHE 42 0.044 4.084 5.878 313 HZ PHE 42 HZ PHE 42 0.428 3.043 8.076 314 HA PRO 43 HA PRO 43 -3.960 -4.387 3.855 315 1HB PRO 43 2HB PRO 43 -5.613 -4.257 5.961 316 2HB PRO 43 1HB PRO 43 -3.958 -4.859 6.115 317 1HG PRO 43 2HG PRO 43 -5.064 -2.161 6.794 318 2HG PRO 43 1HG PRO 43 -3.925 -3.164 7.709 319 1HD PRO 43 2HD PRO 43 -3.171 -1.069 6.112 320 2HD PRO 43 1HD PRO 43 -2.128 -2.456 6.478 321 H THR 44 H THR 44 -5.338 -1.291 4.993 322 HA THR 44 HA THR 44 -7.508 -1.663 3.033 323 HB THR 44 HB THR 44 -8.585 0.140 4.701 324 HG1 THR 44 HG1 THR 44 -8.018 -0.409 6.825 325 1HG2 THR 44 1HG2 THR 44 -9.557 -1.801 6.009 326 2HG2 THR 44 2HG2 THR 44 -8.575 -2.842 4.980 327 3HG2 THR 44 3HG2 THR 44 -9.807 -1.803 4.263 328 H GLN 45 H GLN 45 -8.286 0.183 1.934 329 HA GLN 45 HA GLN 45 -6.235 1.996 1.145 330 1HB GLN 45 2HB GLN 45 -8.212 1.063 -0.243 331 2HB GLN 45 1HB GLN 45 -9.147 2.352 0.498 332 1HG GLN 45 2HG GLN 45 -7.297 3.910 -0.357 333 2HG GLN 45 1HG GLN 45 -6.831 2.557 -1.384 334 1HE2 GLN 45 1HE2 GLN 45 -9.396 1.538 -1.897 335 2HE2 GLN 45 2HE2 GLN 45 -10.234 2.665 -2.903 336 H GLU 46 H GLU 46 -8.752 2.073 3.505 337 HA GLU 46 HA GLU 46 -9.152 4.840 3.732 338 1HB GLU 46 2HB GLU 46 -10.101 2.565 5.011 339 2HB GLU 46 1HB GLU 46 -9.261 3.438 6.284 340 1HG GLU 46 2HG GLU 46 -11.507 4.145 6.345 341 2HG GLU 46 1HG GLU 46 -10.585 5.466 5.627 342 H ALA 47 H ALA 47 -6.614 2.753 4.892 343 HA ALA 47 HA ALA 47 -5.509 4.697 6.703 344 1HB ALA 47 1HB ALA 47 -4.857 2.686 7.486 345 2HB ALA 47 2HB ALA 47 -3.507 2.917 6.374 346 3HB ALA 47 3HB ALA 47 -4.890 1.935 5.891 347 H CYS 48 H CYS 48 -4.710 3.463 3.474 348 HA CYS 48 HA CYS 48 -2.352 4.991 3.153 349 1HB CYS 48 2HB CYS 48 -2.367 4.292 0.890 350 2HB CYS 48 1HB CYS 48 -3.064 2.958 1.802 351 H MET 49 H MET 49 -5.730 5.608 2.347 352 HA MET 49 HA MET 49 -5.234 8.031 0.937 353 1HB MET 49 2HB MET 49 -7.321 6.473 0.906 354 2HB MET 49 1HB MET 49 -7.836 7.417 2.298 355 1HG MET 49 2HG MET 49 -8.062 9.360 1.062 356 2HG MET 49 1HG MET 49 -7.013 8.778 -0.231 357 1HE MET 49 1HE MET 49 -7.928 8.000 -2.439 358 2HE MET 49 2HE MET 49 -8.650 9.569 -2.084 359 3HE MET 49 3HE MET 49 -9.638 8.278 -2.769 360 H LYS 50 H LYS 50 -6.147 7.273 4.270 361 HA LYS 50 HA LYS 50 -6.386 10.017 5.046 362 1HB LYS 50 2HB LYS 50 -7.599 8.142 6.152 363 2HB LYS 50 1HB LYS 50 -6.065 7.583 6.804 364 1HG LYS 50 2HG LYS 50 -5.830 9.794 7.939 365 2HG LYS 50 1HG LYS 50 -7.472 10.171 7.412 366 1HD LYS 50 2HD LYS 50 -8.277 9.092 9.181 367 2HD LYS 50 1HD LYS 50 -7.523 7.602 8.611 368 1HE LYS 50 2HE LYS 50 -5.868 7.725 10.119 369 2HE LYS 50 1HE LYS 50 -5.663 9.461 9.892 370 1HZ LYS 50 1HZ LYS 50 -8.019 9.349 11.170 371 2HZ LYS 50 2HZ LYS 50 -6.529 9.574 11.939 372 3HZ LYS 50 3HZ LYS 50 -7.217 8.030 11.864 373 H ARG 51 H ARG 51 -3.703 8.150 4.362 374 HA ARG 51 HA ARG 51 -2.037 9.488 6.365 375 1HB ARG 51 2HB ARG 51 -1.862 6.963 4.880 376 2HB ARG 51 1HB ARG 51 -0.341 7.838 4.987 377 1HG ARG 51 2HG ARG 51 -0.067 7.286 7.121 378 2HG ARG 51 1HG ARG 51 -1.717 7.758 7.533 379 1HD ARG 51 2HD ARG 51 -1.636 5.308 5.980 380 2HD ARG 51 1HD ARG 51 -0.696 5.181 7.467 381 HE ARG 51 HE ARG 51 -3.556 5.386 7.231 382 1HH1 ARG 51 1HH1 ARG 51 -0.809 5.890 9.325 383 2HH1 ARG 51 2HH1 ARG 51 -1.740 5.775 10.781 384 1HH2 ARG 51 1HH2 ARG 51 -4.782 5.236 9.145 385 2HH2 ARG 51 2HH2 ARG 51 -3.995 5.403 10.679 386 H CYS 52 H CYS 52 -2.538 9.269 2.890 387 HA CYS 52 HA CYS 52 -0.573 11.444 2.573 388 1HB CYS 52 2HB CYS 52 -0.240 8.942 1.554 389 2HB CYS 52 1HB CYS 52 -1.029 9.755 0.206 390 H ALA 53 H ALA 53 -3.783 10.386 1.998 391 HA ALA 53 HA ALA 53 -4.210 12.404 -0.075 392 1HB ALA 53 1HB ALA 53 -6.541 10.882 0.828 393 2HB ALA 53 2HB ALA 53 -5.226 9.889 0.197 394 3HB ALA 53 3HB ALA 53 -5.927 11.163 -0.802 395 H LYS 54 H LYS 54 -5.665 11.447 3.039 396 HA LYS 54 HA LYS 54 -7.203 13.827 3.269 397 1HB LYS 54 2HB LYS 54 -7.512 11.501 4.414 398 2HB LYS 54 1HB LYS 54 -6.427 12.156 5.633 399 1HG LYS 54 2HG LYS 54 -8.384 12.785 6.565 400 2HG LYS 54 1HG LYS 54 -8.156 14.177 5.503 401 1HD LYS 54 2HD LYS 54 -10.276 13.653 4.888 402 2HD LYS 54 1HD LYS 54 -9.427 12.549 3.804 403 1HE LYS 54 2HE LYS 54 -9.594 10.954 5.918 404 2HE LYS 54 1HE LYS 54 -10.983 11.981 6.270 405 1HZ LYS 54 1HZ LYS 54 -11.945 11.423 4.168 406 2HZ LYS 54 2HZ LYS 54 -11.535 9.984 4.958 407 3HZ LYS 54 3HZ LYS 54 -10.567 10.561 3.697 408 H ALA 55 H ALA 55 -3.973 12.925 4.197 409 HA ALA 55 HA ALA 55 -3.607 15.137 6.004 410 1HB ALA 55 1HB ALA 55 -2.169 13.523 6.664 411 2HB ALA 55 2HB ALA 55 -1.096 14.324 5.518 412 3HB ALA 55 3HB ALA 55 -1.977 12.875 5.035 Start of MODEL 16 1 1H ILE 1 1H ILE 1 7.867 13.690 3.277 2 2H ILE 1 2H ILE 1 8.334 13.430 4.908 3 3H ILE 1 3H ILE 1 6.822 14.159 4.552 4 HA ILE 1 HA ILE 1 6.916 11.725 5.210 5 HB ILE 1 HB ILE 1 5.088 11.225 3.520 6 1HG1 ILE 1 2HG1 ILE 1 4.997 14.081 2.775 7 2HG1 ILE 1 1HG1 ILE 1 6.288 13.153 2.019 8 1HG2 ILE 1 1HG2 ILE 1 3.544 12.880 4.511 9 2HG2 ILE 1 2HG2 ILE 1 4.935 13.746 5.165 10 3HG2 ILE 1 3HG2 ILE 1 4.584 12.106 5.708 11 1HD1 ILE 1 1HD1 ILE 1 3.894 13.380 0.934 12 2HD1 ILE 1 2HD1 ILE 1 3.561 11.999 1.980 13 3HD1 ILE 1 3HD1 ILE 1 4.852 11.907 0.782 14 H ASP 2 H ASP 2 8.532 10.306 4.844 15 HA ASP 2 HA ASP 2 9.520 9.816 2.167 16 1HB ASP 2 2HB ASP 2 10.981 8.130 3.338 17 2HB ASP 2 1HB ASP 2 11.162 9.787 3.910 18 H THR 3 H THR 3 7.319 8.360 4.437 19 HA THR 3 HA THR 3 7.203 5.753 3.455 20 HB THR 3 HB THR 3 4.699 7.112 4.358 21 HG1 THR 3 HG1 THR 3 7.005 6.686 5.937 22 1HG2 THR 3 1HG2 THR 3 5.802 4.656 5.598 23 2HG2 THR 3 2HG2 THR 3 5.133 4.545 3.969 24 3HG2 THR 3 3HG2 THR 3 4.129 5.125 5.299 25 H CYS 4 H CYS 4 5.218 8.569 2.556 26 HA CYS 4 HA CYS 4 3.806 7.201 0.504 27 1HB CYS 4 2HB CYS 4 3.682 9.729 1.759 28 2HB CYS 4 1HB CYS 4 3.886 10.037 0.038 29 H ARG 5 H ARG 5 6.974 8.366 0.647 30 HA ARG 5 HA ARG 5 7.171 8.930 -2.199 31 1HB ARG 5 2HB ARG 5 8.991 9.208 0.153 32 2HB ARG 5 1HB ARG 5 9.701 9.106 -1.452 33 1HG ARG 5 2HG ARG 5 8.329 11.026 -2.154 34 2HG ARG 5 1HG ARG 5 7.695 11.146 -0.512 35 1HD ARG 5 2HD ARG 5 10.640 11.232 -1.094 36 2HD ARG 5 1HD ARG 5 9.638 12.681 -1.147 37 HE ARG 5 HE ARG 5 9.069 11.632 1.278 38 1HH1 ARG 5 1HH1 ARG 5 12.063 12.414 -0.335 39 2HH1 ARG 5 2HH1 ARG 5 12.908 12.767 1.135 40 1HH2 ARG 5 1HH2 ARG 5 10.178 12.097 3.213 41 2HH2 ARG 5 2HH2 ARG 5 11.838 12.587 3.150 42 H LEU 6 H LEU 6 7.923 6.389 0.074 43 HA LEU 6 HA LEU 6 9.410 4.897 -1.946 44 1HB LEU 6 2HB LEU 6 9.993 3.371 -0.195 45 2HB LEU 6 1HB LEU 6 10.246 5.007 0.384 46 HG LEU 6 HG LEU 6 7.773 4.636 1.326 47 1HD1 LEU 6 1HD1 LEU 6 8.155 2.185 0.279 48 2HD1 LEU 6 2HD1 LEU 6 7.127 2.507 1.676 49 3HD1 LEU 6 3HD1 LEU 6 8.777 1.930 1.909 50 1HD2 LEU 6 1HD2 LEU 6 10.383 3.762 2.545 51 2HD2 LEU 6 2HD2 LEU 6 8.874 3.855 3.453 52 3HD2 LEU 6 3HD2 LEU 6 9.559 5.311 2.732 53 HA PRO 7 HA PRO 7 5.680 2.675 -2.989 54 1HB PRO 7 2HB PRO 7 6.737 0.971 -4.780 55 2HB PRO 7 1HB PRO 7 6.537 2.691 -5.134 56 1HG PRO 7 2HG PRO 7 8.994 1.205 -4.290 57 2HG PRO 7 1HG PRO 7 8.816 2.460 -5.531 58 1HD PRO 7 2HD PRO 7 9.765 2.945 -3.012 59 2HD PRO 7 1HD PRO 7 8.932 4.162 -3.999 60 H SER 8 H SER 8 4.816 0.505 -2.863 61 HA SER 8 HA SER 8 6.149 -1.069 -0.791 62 1HB SER 8 2HB SER 8 3.374 -0.546 -1.540 63 2HB SER 8 1HB SER 8 3.690 -2.257 -1.253 64 HG SER 8 HG SER 8 4.691 -1.539 0.766 65 H ASP 9 H ASP 9 5.726 -3.523 -0.989 66 HA ASP 9 HA ASP 9 5.780 -4.530 -3.705 67 1HB ASP 9 2HB ASP 9 8.190 -4.498 -1.923 68 2HB ASP 9 1HB ASP 9 7.958 -5.831 -3.050 69 H ARG 10 H ARG 10 4.938 -6.528 -3.834 70 HA ARG 10 HA ARG 10 4.075 -7.790 -1.359 71 1HB ARG 10 2HB ARG 10 2.774 -9.278 -2.897 72 2HB ARG 10 1HB ARG 10 2.380 -7.569 -3.027 73 1HG ARG 10 2HG ARG 10 4.442 -8.125 -4.891 74 2HG ARG 10 1HG ARG 10 3.197 -9.365 -5.064 75 1HD ARG 10 2HD ARG 10 2.166 -6.639 -4.767 76 2HD ARG 10 1HD ARG 10 3.125 -6.897 -6.220 77 HE ARG 10 HE ARG 10 0.753 -8.496 -5.505 78 1HH1 ARG 10 1HH1 ARG 10 2.793 -6.948 -7.891 79 2HH1 ARG 10 2HH1 ARG 10 1.815 -7.446 -9.227 80 1HH2 ARG 10 1HH2 ARG 10 -0.527 -9.151 -7.289 81 2HH2 ARG 10 2HH2 ARG 10 -0.059 -8.687 -8.888 82 HN2 GLY 11 H GLY 11 6.811 -7.951 -3.145 83 1HA GLY 11 2HA GLY 11 8.446 -9.525 -3.499 84 2HA GLY 11 1HA GLY 11 7.949 -10.113 -1.923 85 H ARG 12 H ARG 12 8.571 -12.224 -2.683 86 HA ARG 12 HA ARG 12 6.892 -13.405 -4.756 87 1HB ARG 12 2HB ARG 12 9.539 -13.794 -3.985 88 2HB ARG 12 1HB ARG 12 8.710 -15.232 -3.406 89 1HG ARG 12 2HG ARG 12 8.195 -14.325 -6.190 90 2HG ARG 12 1HG ARG 12 9.729 -15.117 -5.821 91 1HD ARG 12 2HD ARG 12 8.291 -16.922 -4.696 92 2HD ARG 12 1HD ARG 12 6.943 -16.202 -5.574 93 HE ARG 12 HE ARG 12 8.914 -16.649 -7.447 94 1HH1 ARG 12 1HH1 ARG 12 7.046 -18.585 -5.226 95 2HH1 ARG 12 2HH1 ARG 12 7.085 -19.997 -6.228 96 1HH2 ARG 12 1HH2 ARG 12 8.967 -18.505 -8.766 97 2HH2 ARG 12 2HH2 ARG 12 8.177 -19.952 -8.237 98 H CYS 13 H CYS 13 7.750 -13.971 -1.357 99 HA CYS 13 HA CYS 13 6.619 -16.015 -0.333 100 1HB CYS 13 2HB CYS 13 5.387 -13.431 0.609 101 2HB CYS 13 1HB CYS 13 5.790 -14.856 1.559 102 H LYS 14 H LYS 14 4.893 -17.288 -0.503 103 HA LYS 14 HA LYS 14 3.002 -17.363 -2.323 104 1HB LYS 14 2HB LYS 14 2.388 -17.927 0.580 105 2HB LYS 14 1HB LYS 14 1.519 -18.574 -0.803 106 1HG LYS 14 2HG LYS 14 4.361 -19.150 -0.006 107 2HG LYS 14 1HG LYS 14 2.990 -20.260 0.025 108 1HD LYS 14 2HD LYS 14 2.925 -19.543 -2.560 109 2HD LYS 14 1HD LYS 14 4.650 -19.345 -2.246 110 1HE LYS 14 2HE LYS 14 4.703 -21.651 -1.344 111 2HE LYS 14 1HE LYS 14 3.007 -21.833 -1.792 112 1HZ LYS 14 1HZ LYS 14 5.049 -21.080 -3.790 113 2HZ LYS 14 2HZ LYS 14 3.519 -21.753 -4.046 114 3HZ LYS 14 3HZ LYS 14 4.761 -22.701 -3.399 115 H ALA 15 H ALA 15 2.687 -15.064 -2.821 116 HA ALA 15 HA ALA 15 1.149 -13.355 -1.197 117 1HB ALA 15 1HB ALA 15 1.226 -11.860 -2.929 118 2HB ALA 15 2HB ALA 15 1.048 -13.111 -4.161 119 3HB ALA 15 3HB ALA 15 2.593 -12.899 -3.336 120 H SER 16 H SER 16 -0.933 -13.348 -0.712 121 HA SER 16 HA SER 16 -2.944 -14.131 -2.610 122 1HB SER 16 2HB SER 16 -3.897 -15.961 -1.368 123 2HB SER 16 1HB SER 16 -2.191 -16.318 -1.632 124 HG SER 16 HG SER 16 -1.877 -15.379 0.529 125 H PHE 17 H PHE 17 -2.134 -11.830 -0.888 126 HA PHE 17 HA PHE 17 -4.767 -11.387 0.338 127 1HB PHE 17 2HB PHE 17 -2.083 -10.788 1.594 128 2HB PHE 17 1HB PHE 17 -3.603 -10.123 2.183 129 HD1 PHE 17 HD1 PHE 17 -5.483 -11.993 2.553 130 HD2 PHE 17 HD2 PHE 17 -1.281 -12.655 2.645 131 HE1 PHE 17 HE1 PHE 17 -5.834 -14.006 3.924 132 HE2 PHE 17 HE2 PHE 17 -1.623 -14.669 4.014 133 HZ PHE 17 HZ PHE 17 -3.903 -15.348 4.656 134 H GLU 18 H GLU 18 -5.573 -9.940 -1.073 135 HA GLU 18 HA GLU 18 -4.010 -7.972 -2.393 136 1HB GLU 18 2HB GLU 18 -6.184 -7.070 -3.148 137 2HB GLU 18 1HB GLU 18 -6.044 -8.803 -3.408 138 1HG GLU 18 2HG GLU 18 -7.204 -8.771 -0.975 139 2HG GLU 18 1HG GLU 18 -7.863 -7.289 -1.668 140 H ARG 19 H ARG 19 -3.790 -5.796 -2.030 141 HA ARG 19 HA ARG 19 -5.140 -4.537 0.205 142 1HB ARG 19 2HB ARG 19 -2.132 -4.845 0.158 143 2HB ARG 19 1HB ARG 19 -3.021 -3.818 1.274 144 1HG ARG 19 2HG ARG 19 -4.270 -6.035 1.861 145 2HG ARG 19 1HG ARG 19 -2.829 -6.788 1.175 146 1HD ARG 19 2HD ARG 19 -1.586 -6.270 2.959 147 2HD ARG 19 1HD ARG 19 -2.204 -4.618 3.012 148 HE ARG 19 HE ARG 19 -4.265 -6.063 3.985 149 1HH1 ARG 19 1HH1 ARG 19 -0.870 -5.941 4.790 150 2HH1 ARG 19 2HH1 ARG 19 -1.123 -6.351 6.453 151 1HH2 ARG 19 1HH2 ARG 19 -4.597 -6.600 6.174 152 2HH2 ARG 19 2HH2 ARG 19 -3.237 -6.725 7.238 153 H TRP 20 H TRP 20 -4.215 -2.193 0.450 154 HA TRP 20 HA TRP 20 -3.977 -1.100 -2.273 155 1HB TRP 20 2HB TRP 20 -4.999 0.190 0.267 156 2HB TRP 20 1HB TRP 20 -4.858 1.006 -1.287 157 HD1 TRP 20 HD1 TRP 20 -6.960 -1.622 0.535 158 HE1 TRP 20 HE1 TRP 20 -9.133 -1.996 -0.784 159 HE3 TRP 20 HE3 TRP 20 -5.869 1.144 -3.625 160 HZ2 TRP 20 HZ2 TRP 20 -10.241 -1.223 -3.254 161 HZ3 TRP 20 HZ3 TRP 20 -7.543 1.272 -5.423 162 HH2 TRP 20 HH2 TRP 20 -9.685 0.113 -5.241 163 H TYR 21 H TYR 21 -2.534 0.613 -2.691 164 HA TYR 21 HA TYR 21 -0.554 1.269 -0.644 165 1HB TYR 21 2HB TYR 21 1.244 0.880 -2.497 166 2HB TYR 21 1HB TYR 21 0.654 -0.500 -1.575 167 HD1 TYR 21 HD2 TYR 21 -1.518 -1.619 -2.656 168 HD2 TYR 21 HD1 TYR 21 1.399 0.612 -4.795 169 HE1 TYR 21 HE2 TYR 21 -2.214 -2.711 -4.722 170 HE2 TYR 21 HE1 TYR 21 0.703 -0.483 -6.888 171 HH TYR 21 HH TYR 21 -1.111 -1.657 -7.835 172 H PHE 22 H PHE 22 0.622 3.192 -1.085 173 HA PHE 22 HA PHE 22 -0.844 5.035 -2.759 174 1HB PHE 22 2HB PHE 22 0.532 5.297 -0.385 175 2HB PHE 22 1HB PHE 22 1.620 6.050 -1.548 176 HD1 PHE 22 HD1 PHE 22 0.446 7.714 -3.221 177 HD2 PHE 22 HD2 PHE 22 -1.104 6.584 0.577 178 HE1 PHE 22 HE1 PHE 22 -0.921 9.759 -3.176 179 HE2 PHE 22 HE2 PHE 22 -2.474 8.625 0.629 180 HZ PHE 22 HZ PHE 22 -2.385 10.217 -1.249 181 H ASN 23 H ASN 23 -0.409 5.332 -4.824 182 HA ASN 23 HA ASN 23 2.329 4.832 -5.784 183 1HB ASN 23 2HB ASN 23 0.595 3.357 -6.753 184 2HB ASN 23 1HB ASN 23 -0.259 4.775 -7.352 185 1HD2 ASN 23 1HD2 ASN 23 0.725 6.043 -8.985 186 2HD2 ASN 23 2HD2 ASN 23 1.908 5.358 -10.041 187 HN2 GLY 24 H GLY 24 2.937 6.991 -5.143 188 1HA GLY 24 2HA GLY 24 3.591 9.084 -5.894 189 2HA GLY 24 1HA GLY 24 2.538 8.880 -7.286 190 H ARG 25 H ARG 25 0.269 9.315 -7.028 191 HA ARG 25 HA ARG 25 -0.312 11.092 -4.750 192 1HB ARG 25 2HB ARG 25 0.038 12.164 -7.077 193 2HB ARG 25 1HB ARG 25 -1.534 11.479 -7.467 194 1HG ARG 25 2HG ARG 25 -1.709 13.807 -6.761 195 2HG ARG 25 1HG ARG 25 -2.555 12.726 -5.652 196 1HD ARG 25 2HD ARG 25 -1.305 13.402 -3.941 197 2HD ARG 25 1HD ARG 25 0.181 13.069 -4.828 198 HE ARG 25 HE ARG 25 0.352 15.300 -5.321 199 1HH1 ARG 25 1HH1 ARG 25 -2.866 14.643 -4.144 200 2HH1 ARG 25 2HH1 ARG 25 -3.303 16.314 -4.035 201 1HH2 ARG 25 1HH2 ARG 25 -0.220 17.500 -5.178 202 2HH2 ARG 25 2HH2 ARG 25 -1.801 17.937 -4.622 203 H THR 26 H THR 26 -1.459 8.594 -6.897 204 HA THR 26 HA THR 26 -4.018 8.533 -5.446 205 HB THR 26 HB THR 26 -4.226 8.796 -7.877 206 HG1 THR 26 HG1 THR 26 -5.946 7.682 -7.468 207 1HG2 THR 26 1HG2 THR 26 -2.140 7.562 -8.486 208 2HG2 THR 26 2HG2 THR 26 -3.565 7.143 -9.438 209 3HG2 THR 26 3HG2 THR 26 -3.011 6.064 -8.156 210 H CYS 27 H CYS 27 -4.956 6.225 -5.353 211 HA CYS 27 HA CYS 27 -2.968 4.566 -4.024 212 1HB CYS 27 2HB CYS 27 -5.956 4.154 -4.231 213 2HB CYS 27 1HB CYS 27 -4.853 3.317 -3.146 214 H ALA 28 H ALA 28 -3.421 2.101 -4.303 215 HA ALA 28 HA ALA 28 -4.033 1.364 -7.047 216 1HB ALA 28 1HB ALA 28 -1.839 0.112 -7.209 217 2HB ALA 28 2HB ALA 28 -1.301 1.090 -5.843 218 3HB ALA 28 3HB ALA 28 -1.761 1.867 -7.356 219 H LYS 29 H LYS 29 -3.574 -1.159 -7.267 220 HA LYS 29 HA LYS 29 -4.215 -2.528 -4.763 221 1HB LYS 29 2HB LYS 29 -6.071 -2.063 -6.970 222 2HB LYS 29 1HB LYS 29 -5.923 -3.763 -6.546 223 1HG LYS 29 2HG LYS 29 -6.146 -2.373 -4.119 224 2HG LYS 29 1HG LYS 29 -7.344 -1.671 -5.205 225 1HD LYS 29 2HD LYS 29 -8.668 -3.433 -4.912 226 2HD LYS 29 1HD LYS 29 -7.403 -4.504 -5.513 227 1HE LYS 29 2HE LYS 29 -7.056 -5.315 -3.475 228 2HE LYS 29 1HE LYS 29 -6.796 -3.696 -2.829 229 1HZ LYS 29 1HZ LYS 29 -9.559 -4.436 -3.342 230 2HZ LYS 29 2HZ LYS 29 -8.890 -3.577 -2.048 231 3HZ LYS 29 3HZ LYS 29 -8.799 -5.264 -2.078 232 H PHE 30 H PHE 30 -3.438 -4.542 -4.599 233 HA PHE 30 HA PHE 30 -2.781 -6.199 -6.813 234 1HB PHE 30 2HB PHE 30 -0.353 -6.244 -6.551 235 2HB PHE 30 1HB PHE 30 -0.898 -4.634 -6.993 236 HD1 PHE 30 HD1 PHE 30 -1.773 -4.888 -3.660 237 HD2 PHE 30 HD2 PHE 30 1.677 -4.580 -6.133 238 HE1 PHE 30 HE1 PHE 30 -0.510 -3.960 -1.772 239 HE2 PHE 30 HE2 PHE 30 2.945 -3.646 -4.246 240 HZ PHE 30 HZ PHE 30 1.853 -3.335 -2.063 241 H ILE 31 H ILE 31 -1.341 -8.134 -5.943 242 HA ILE 31 HA ILE 31 -2.635 -8.953 -3.471 243 HB ILE 31 HB ILE 31 -2.518 -10.353 -5.655 244 1HG1 ILE 31 2HG1 ILE 31 -1.759 -12.115 -3.431 245 2HG1 ILE 31 1HG1 ILE 31 -3.007 -10.940 -3.033 246 1HG2 ILE 31 1HG2 ILE 31 -0.009 -10.183 -5.786 247 2HG2 ILE 31 2HG2 ILE 31 -0.679 -11.805 -5.949 248 3HG2 ILE 31 3HG2 ILE 31 0.052 -11.301 -4.427 249 1HD1 ILE 31 1HD1 ILE 31 -4.322 -12.621 -3.779 250 2HD1 ILE 31 2HD1 ILE 31 -3.091 -13.251 -4.873 251 3HD1 ILE 31 3HD1 ILE 31 -4.019 -11.820 -5.320 252 H TYR 32 H TYR 32 -1.622 -8.441 -1.662 253 HA TYR 32 HA TYR 32 1.277 -8.247 -1.592 254 1HB TYR 32 2HB TYR 32 -0.053 -6.476 -0.537 255 2HB TYR 32 1HB TYR 32 -0.782 -7.659 0.544 256 HD1 TYR 32 HD2 TYR 32 2.624 -6.496 -0.481 257 HD2 TYR 32 HD1 TYR 32 0.096 -7.828 2.671 258 HE1 TYR 32 HE2 TYR 32 4.450 -6.138 1.126 259 HE2 TYR 32 HE1 TYR 32 1.915 -7.473 4.287 260 HH TYR 32 HH TYR 32 3.955 -6.229 4.523 261 HN2 GLY 33 H GLY 33 2.540 -9.860 -0.996 262 1HA GLY 33 2HA GLY 33 1.365 -12.209 0.265 263 2HA GLY 33 1HA GLY 33 2.992 -12.081 -0.388 264 HN2 GLY 34 H GLY 34 3.829 -9.770 1.003 265 1HA GLY 34 2HA GLY 34 3.572 -9.292 3.556 266 2HA GLY 34 1HA GLY 34 4.149 -10.946 3.672 267 H CYS 35 H CYS 35 5.813 -10.287 1.148 268 HA CYS 35 HA CYS 35 8.007 -9.007 2.634 269 1HB CYS 35 2HB CYS 35 9.406 -10.174 0.750 270 2HB CYS 35 1HB CYS 35 8.843 -11.101 2.134 271 HN2 GLY 36 H GLY 36 8.397 -6.989 2.067 272 1HA GLY 36 2HA GLY 36 9.342 -5.664 0.167 273 2HA GLY 36 1HA GLY 36 7.945 -6.210 -0.748 274 HN2 GLY 37 H GLY 37 6.680 -5.789 2.196 275 1HA GLY 37 2HA GLY 37 5.890 -3.025 1.566 276 2HA GLY 37 1HA GLY 37 4.931 -4.167 2.495 277 H ASN 38 H ASN 38 5.381 -1.607 3.411 278 HA ASN 38 HA ASN 38 6.586 -2.159 5.955 279 1HB ASN 38 2HB ASN 38 8.048 0.031 5.636 280 2HB ASN 38 1HB ASN 38 8.663 -1.553 5.181 281 1HD2 ASN 38 1HD2 ASN 38 10.003 -0.968 3.568 282 2HD2 ASN 38 2HD2 ASN 38 9.494 -0.207 2.103 283 HN2 GLY 39 H GLY 39 6.197 0.908 4.198 284 1HA GLY 39 2HA GLY 39 4.015 1.586 6.067 285 2HA GLY 39 1HA GLY 39 5.274 2.736 5.644 286 H ASN 40 H ASN 40 4.883 1.196 2.847 287 HA ASN 40 HA ASN 40 3.081 3.240 1.827 288 1HB ASN 40 2HB ASN 40 5.230 2.774 0.681 289 2HB ASN 40 1HB ASN 40 4.670 1.142 0.333 290 1HD2 ASN 40 1HD2 ASN 40 4.486 4.469 -0.510 291 2HD2 ASN 40 2HD2 ASN 40 3.495 4.284 -1.913 292 H LYS 41 H LYS 41 3.080 -0.135 2.571 293 HA LYS 41 HA LYS 41 0.775 -0.735 0.931 294 1HB LYS 41 2HB LYS 41 0.901 -2.964 2.050 295 2HB LYS 41 1HB LYS 41 2.377 -2.496 1.218 296 1HG LYS 41 2HG LYS 41 3.580 -2.447 3.110 297 2HG LYS 41 1HG LYS 41 2.266 -1.740 4.051 298 1HD LYS 41 2HD LYS 41 1.962 -4.554 3.151 299 2HD LYS 41 1HD LYS 41 3.113 -4.228 4.448 300 1HE LYS 41 2HE LYS 41 1.095 -2.828 5.412 301 2HE LYS 41 1HE LYS 41 0.151 -3.927 4.407 302 1HZ LYS 41 1HZ LYS 41 0.957 -5.780 5.585 303 2HZ LYS 41 2HZ LYS 41 0.536 -4.646 6.767 304 3HZ LYS 41 3HZ LYS 41 2.161 -4.882 6.362 305 H PHE 42 H PHE 42 -1.306 -1.011 1.613 306 HA PHE 42 HA PHE 42 -1.920 -0.653 4.447 307 1HB PHE 42 2HB PHE 42 -3.425 0.923 2.368 308 2HB PHE 42 1HB PHE 42 -3.434 1.133 4.116 309 HD1 PHE 42 HD2 PHE 42 -0.949 1.578 5.086 310 HD2 PHE 42 HD1 PHE 42 -2.315 2.519 1.167 311 HE1 PHE 42 HE2 PHE 42 0.808 3.289 4.889 312 HE2 PHE 42 HE1 PHE 42 -0.561 4.233 0.963 313 HZ PHE 42 HZ PHE 42 1.003 4.619 2.826 314 HA PRO 43 HA PRO 43 -4.640 -4.067 3.660 315 1HB PRO 43 2HB PRO 43 -6.327 -2.785 5.753 316 2HB PRO 43 1HB PRO 43 -5.720 -4.442 5.654 317 1HG PRO 43 2HG PRO 43 -4.626 -2.698 7.339 318 2HG PRO 43 1HG PRO 43 -3.622 -3.864 6.456 319 1HD PRO 43 2HD PRO 43 -4.014 -0.944 5.966 320 2HD PRO 43 1HD PRO 43 -2.549 -1.933 5.793 321 H THR 44 H THR 44 -6.452 -1.087 4.469 322 HA THR 44 HA THR 44 -8.167 -1.629 2.134 323 HB THR 44 HB THR 44 -9.877 -0.231 3.410 324 HG1 THR 44 HG1 THR 44 -8.192 -0.857 5.599 325 1HG2 THR 44 1HG2 THR 44 -10.804 -2.043 4.448 326 2HG2 THR 44 2HG2 THR 44 -9.252 -2.652 5.019 327 3HG2 THR 44 3HG2 THR 44 -9.699 -2.831 3.323 328 H GLN 45 H GLN 45 -8.988 0.183 0.963 329 HA GLN 45 HA GLN 45 -7.053 2.128 0.364 330 1HB GLN 45 2HB GLN 45 -9.117 1.213 -0.999 331 2HB GLN 45 1HB GLN 45 -9.936 2.593 -0.279 332 1HG GLN 45 2HG GLN 45 -7.984 3.980 -1.180 333 2HG GLN 45 1HG GLN 45 -7.613 2.568 -2.168 334 1HE2 GLN 45 1HE2 GLN 45 -10.216 1.709 -2.692 335 2HE2 GLN 45 2HE2 GLN 45 -10.980 2.867 -3.722 336 H GLU 46 H GLU 46 -9.672 2.083 2.648 337 HA GLU 46 HA GLU 46 -10.151 4.771 3.070 338 1HB GLU 46 2HB GLU 46 -11.104 2.575 4.210 339 2HB GLU 46 1HB GLU 46 -9.925 2.984 5.448 340 1HG GLU 46 2HG GLU 46 -11.703 4.106 6.276 341 2HG GLU 46 1HG GLU 46 -11.063 5.363 5.218 342 H ALA 47 H ALA 47 -7.516 2.765 4.276 343 HA ALA 47 HA ALA 47 -6.391 4.797 5.942 344 1HB ALA 47 1HB ALA 47 -5.880 2.590 6.568 345 2HB ALA 47 2HB ALA 47 -4.378 3.234 5.904 346 3HB ALA 47 3HB ALA 47 -5.380 2.154 4.935 347 H CYS 48 H CYS 48 -5.922 3.710 2.637 348 HA CYS 48 HA CYS 48 -3.528 4.958 2.003 349 1HB CYS 48 2HB CYS 48 -4.727 3.411 0.499 350 2HB CYS 48 1HB CYS 48 -5.958 4.640 0.226 351 H MET 49 H MET 49 -6.803 6.268 1.467 352 HA MET 49 HA MET 49 -6.002 8.819 0.663 353 1HB MET 49 2HB MET 49 -8.553 8.052 2.090 354 2HB MET 49 1HB MET 49 -8.296 9.516 1.152 355 1HG MET 49 2HG MET 49 -8.657 8.482 -0.791 356 2HG MET 49 1HG MET 49 -7.723 7.063 -0.322 357 1HE MET 49 1HE MET 49 -11.448 8.738 0.172 358 2HE MET 49 2HE MET 49 -12.117 7.392 -0.749 359 3HE MET 49 3HE MET 49 -10.798 8.351 -1.421 360 H LYS 50 H LYS 50 -6.941 7.641 3.882 361 HA LYS 50 HA LYS 50 -6.588 10.111 5.204 362 1HB LYS 50 2HB LYS 50 -7.901 8.203 6.106 363 2HB LYS 50 1HB LYS 50 -6.398 7.331 6.373 364 1HG LYS 50 2HG LYS 50 -5.671 9.018 7.957 365 2HG LYS 50 1HG LYS 50 -7.136 9.954 7.655 366 1HD LYS 50 2HD LYS 50 -7.338 8.665 9.715 367 2HD LYS 50 1HD LYS 50 -8.492 8.099 8.505 368 1HE LYS 50 2HE LYS 50 -7.319 6.135 8.121 369 2HE LYS 50 1HE LYS 50 -5.812 6.795 8.755 370 1HZ LYS 50 1HZ LYS 50 -6.626 6.628 10.960 371 2HZ LYS 50 2HZ LYS 50 -6.938 5.140 10.217 372 3HZ LYS 50 3HZ LYS 50 -8.193 6.254 10.439 373 H ARG 51 H ARG 51 -4.325 7.914 3.944 374 HA ARG 51 HA ARG 51 -2.226 8.324 5.823 375 1HB ARG 51 2HB ARG 51 -2.659 6.613 3.700 376 2HB ARG 51 1HB ARG 51 -1.384 7.666 3.101 377 1HG ARG 51 2HG ARG 51 -1.068 6.552 5.829 378 2HG ARG 51 1HG ARG 51 -0.874 5.453 4.461 379 1HD ARG 51 2HD ARG 51 1.281 6.309 4.944 380 2HD ARG 51 1HD ARG 51 0.729 7.129 3.486 381 HE ARG 51 HE ARG 51 0.491 9.111 4.704 382 1HH1 ARG 51 1HH1 ARG 51 1.584 6.492 6.745 383 2HH1 ARG 51 2HH1 ARG 51 2.114 7.542 8.014 384 1HH2 ARG 51 1HH2 ARG 51 1.187 10.484 6.377 385 2HH2 ARG 51 2HH2 ARG 51 1.888 9.805 7.808 386 H CYS 52 H CYS 52 -2.494 9.429 2.430 387 HA CYS 52 HA CYS 52 -1.077 11.882 3.250 388 1HB CYS 52 2HB CYS 52 -0.710 10.530 0.578 389 2HB CYS 52 1HB CYS 52 0.216 11.872 1.240 390 H ALA 53 H ALA 53 -3.880 10.640 1.894 391 HA ALA 53 HA ALA 53 -4.354 12.858 0.086 392 1HB ALA 53 1HB ALA 53 -5.148 10.376 -0.150 393 2HB ALA 53 2HB ALA 53 -6.173 11.700 -0.700 394 3HB ALA 53 3HB ALA 53 -6.492 10.926 0.851 395 H LYS 54 H LYS 54 -5.077 11.960 3.356 396 HA LYS 54 HA LYS 54 -6.936 14.226 3.592 397 1HB LYS 54 2HB LYS 54 -7.414 11.726 4.382 398 2HB LYS 54 1HB LYS 54 -6.576 12.288 5.822 399 1HG LYS 54 2HG LYS 54 -8.256 14.298 5.624 400 2HG LYS 54 1HG LYS 54 -9.201 13.125 4.706 401 1HD LYS 54 2HD LYS 54 -9.978 12.445 6.692 402 2HD LYS 54 1HD LYS 54 -8.405 11.675 6.899 403 1HE LYS 54 2HE LYS 54 -8.472 12.898 8.820 404 2HE LYS 54 1HE LYS 54 -7.742 14.092 7.748 405 1HZ LYS 54 1HZ LYS 54 -9.639 14.898 9.150 406 2HZ LYS 54 2HZ LYS 54 -10.663 13.930 8.216 407 3HZ LYS 54 3HZ LYS 54 -9.797 15.190 7.491 408 H ALA 55 H ALA 55 -3.919 12.897 4.726 409 HA ALA 55 HA ALA 55 -3.595 15.068 6.660 410 1HB ALA 55 1HB ALA 55 -2.983 12.997 7.591 411 2HB ALA 55 2HB ALA 55 -1.459 13.800 7.213 412 3HB ALA 55 3HB ALA 55 -2.071 12.528 6.156 Start of MODEL 17 1 1H ILE 1 1H ILE 1 4.042 12.560 3.224 2 2H ILE 1 2H ILE 1 3.684 14.096 2.547 3 3H ILE 1 3H ILE 1 5.266 13.756 3.119 4 HA ILE 1 HA ILE 1 4.061 12.115 1.035 5 HB ILE 1 HB ILE 1 3.846 14.546 0.408 6 1HG1 ILE 1 2HG1 ILE 1 4.671 14.234 -1.842 7 2HG1 ILE 1 1HG1 ILE 1 5.794 12.991 -1.308 8 1HG2 ILE 1 1HG2 ILE 1 5.815 15.817 -0.136 9 2HG2 ILE 1 2HG2 ILE 1 6.857 14.469 0.319 10 3HG2 ILE 1 3HG2 ILE 1 5.905 15.301 1.548 11 1HD1 ILE 1 1HD1 ILE 1 4.117 11.422 -1.026 12 2HD1 ILE 1 2HD1 ILE 1 3.617 12.291 -2.477 13 3HD1 ILE 1 3HD1 ILE 1 2.851 12.647 -0.928 14 H ASP 2 H ASP 2 5.902 11.648 3.257 15 HA ASP 2 HA ASP 2 8.453 11.295 1.846 16 1HB ASP 2 2HB ASP 2 7.906 10.934 4.794 17 2HB ASP 2 1HB ASP 2 9.478 11.023 4.006 18 H THR 3 H THR 3 6.150 9.540 3.900 19 HA THR 3 HA THR 3 7.390 7.002 3.203 20 HB THR 3 HB THR 3 5.053 7.661 5.002 21 HG1 THR 3 HG1 THR 3 7.234 8.284 5.659 22 1HG2 THR 3 1HG2 THR 3 6.064 5.093 4.063 23 2HG2 THR 3 2HG2 THR 3 4.536 5.501 4.844 24 3HG2 THR 3 3HG2 THR 3 5.981 5.236 5.820 25 H CYS 4 H CYS 4 4.712 8.964 2.273 26 HA CYS 4 HA CYS 4 3.169 6.850 1.096 27 1HB CYS 4 2HB CYS 4 2.914 9.777 0.435 28 2HB CYS 4 1HB CYS 4 1.669 8.533 0.388 29 H ARG 5 H ARG 5 5.945 8.575 0.160 30 HA ARG 5 HA ARG 5 5.429 8.226 -2.694 31 1HB ARG 5 2HB ARG 5 7.454 9.510 -3.050 32 2HB ARG 5 1HB ARG 5 6.410 10.346 -1.910 33 1HG ARG 5 2HG ARG 5 7.773 9.515 -0.058 34 2HG ARG 5 1HG ARG 5 8.830 8.697 -1.209 35 1HD ARG 5 2HD ARG 5 9.554 10.762 -2.135 36 2HD ARG 5 1HD ARG 5 8.310 11.660 -1.267 37 HE ARG 5 HE ARG 5 9.814 10.446 0.679 38 1HH1 ARG 5 1HH1 ARG 5 10.443 12.666 -1.939 39 2HH1 ARG 5 2HH1 ARG 5 11.770 13.435 -1.134 40 1HH2 ARG 5 1HH2 ARG 5 11.559 11.455 1.739 41 2HH2 ARG 5 2HH2 ARG 5 12.405 12.747 0.954 42 H LEU 6 H LEU 6 6.515 6.274 -0.292 43 HA LEU 6 HA LEU 6 8.755 5.100 -1.703 44 1HB LEU 6 2HB LEU 6 7.435 3.794 0.635 45 2HB LEU 6 1HB LEU 6 9.129 3.810 0.183 46 HG LEU 6 HG LEU 6 7.568 6.037 1.481 47 1HD1 LEU 6 1HD1 LEU 6 9.775 4.207 2.359 48 2HD1 LEU 6 2HD1 LEU 6 8.213 4.502 3.122 49 3HD1 LEU 6 3HD1 LEU 6 9.463 5.745 3.164 50 1HD2 LEU 6 1HD2 LEU 6 10.104 6.072 -0.036 51 2HD2 LEU 6 2HD2 LEU 6 10.087 6.944 1.496 52 3HD2 LEU 6 3HD2 LEU 6 8.924 7.354 0.236 53 HA PRO 7 HA PRO 7 6.255 2.068 -3.769 54 1HB PRO 7 2HB PRO 7 8.179 0.555 -4.814 55 2HB PRO 7 1HB PRO 7 7.991 2.243 -5.307 56 1HG PRO 7 2HG PRO 7 9.969 1.024 -3.431 57 2HG PRO 7 1HG PRO 7 10.204 2.309 -4.626 58 1HD PRO 7 2HD PRO 7 9.792 2.686 -1.891 59 2HD PRO 7 1HD PRO 7 9.597 3.925 -3.145 60 H SER 8 H SER 8 5.093 0.721 -2.480 61 HA SER 8 HA SER 8 6.405 -1.121 -0.670 62 1HB SER 8 2HB SER 8 3.736 -0.015 -0.976 63 2HB SER 8 1HB SER 8 3.684 -1.758 -0.726 64 HG SER 8 HG SER 8 4.850 -1.490 1.169 65 H ASP 9 H ASP 9 6.583 -3.303 -0.903 66 HA ASP 9 HA ASP 9 6.005 -4.364 -3.564 67 1HB ASP 9 2HB ASP 9 8.261 -4.592 -2.223 68 2HB ASP 9 1HB ASP 9 7.425 -5.932 -1.444 69 H ARG 10 H ARG 10 4.852 -6.320 -3.876 70 HA ARG 10 HA ARG 10 2.804 -6.752 -1.862 71 1HB ARG 10 2HB ARG 10 1.761 -8.159 -3.640 72 2HB ARG 10 1HB ARG 10 2.011 -6.485 -4.103 73 1HG ARG 10 2HG ARG 10 3.121 -7.151 -5.893 74 2HG ARG 10 1HG ARG 10 4.326 -7.918 -4.857 75 1HD ARG 10 2HD ARG 10 3.562 -9.636 -6.242 76 2HD ARG 10 1HD ARG 10 2.708 -9.884 -4.722 77 HE ARG 10 HE ARG 10 0.810 -8.678 -5.835 78 1HH1 ARG 10 1HH1 ARG 10 3.175 -10.472 -7.691 79 2HH1 ARG 10 2HH1 ARG 10 2.096 -10.775 -9.008 80 1HH2 ARG 10 1HH2 ARG 10 -0.609 -9.095 -7.598 81 2HH2 ARG 10 2HH2 ARG 10 -0.037 -9.997 -8.956 82 HN2 GLY 11 H GLY 11 5.795 -8.056 -2.561 83 1HA GLY 11 2HA GLY 11 6.860 -9.977 -1.911 84 2HA GLY 11 1HA GLY 11 5.619 -10.084 -0.673 85 H ARG 12 H ARG 12 6.903 -11.493 -3.452 86 HA ARG 12 HA ARG 12 4.570 -12.833 -4.396 87 1HB ARG 12 2HB ARG 12 7.518 -13.321 -4.804 88 2HB ARG 12 1HB ARG 12 6.277 -14.318 -5.551 89 1HG ARG 12 2HG ARG 12 5.351 -12.114 -6.484 90 2HG ARG 12 1HG ARG 12 6.920 -11.438 -6.047 91 1HD ARG 12 2HD ARG 12 7.526 -12.114 -8.102 92 2HD ARG 12 1HD ARG 12 7.673 -13.698 -7.340 93 HE ARG 12 HE ARG 12 5.075 -13.601 -8.112 94 1HH1 ARG 12 1HH1 ARG 12 8.103 -13.103 -9.773 95 2HH1 ARG 12 2HH1 ARG 12 7.501 -13.658 -11.299 96 1HH2 ARG 12 1HH2 ARG 12 4.281 -14.332 -10.118 97 2HH2 ARG 12 2HH2 ARG 12 5.330 -14.354 -11.496 98 H CYS 13 H CYS 13 6.341 -13.187 -1.590 99 HA CYS 13 HA CYS 13 6.726 -15.834 -1.114 100 1HB CYS 13 2HB CYS 13 5.438 -14.000 0.914 101 2HB CYS 13 1HB CYS 13 6.482 -15.379 1.227 102 H LYS 14 H LYS 14 3.795 -14.415 0.310 103 HA LYS 14 HA LYS 14 2.354 -16.858 -0.474 104 1HB LYS 14 2HB LYS 14 2.380 -15.221 1.989 105 2HB LYS 14 1HB LYS 14 0.801 -15.800 1.479 106 1HG LYS 14 2HG LYS 14 1.760 -17.351 3.041 107 2HG LYS 14 1HG LYS 14 1.686 -18.101 1.445 108 1HD LYS 14 2HD LYS 14 3.832 -18.640 1.846 109 2HD LYS 14 1HD LYS 14 4.157 -16.967 1.387 110 1HE LYS 14 2HE LYS 14 5.183 -16.868 3.385 111 2HE LYS 14 1HE LYS 14 3.546 -16.666 4.008 112 1HZ LYS 14 1HZ LYS 14 5.274 -19.042 4.062 113 2HZ LYS 14 2HZ LYS 14 3.595 -19.249 4.049 114 3HZ LYS 14 3HZ LYS 14 4.328 -18.373 5.297 115 H ALA 15 H ALA 15 2.633 -14.695 -2.272 116 HA ALA 15 HA ALA 15 0.763 -12.737 -2.393 117 1HB ALA 15 1HB ALA 15 2.532 -13.678 -4.151 118 2HB ALA 15 2HB ALA 15 1.237 -12.567 -4.600 119 3HB ALA 15 3HB ALA 15 1.054 -14.297 -4.888 120 H SER 16 H SER 16 -1.230 -13.092 -1.530 121 HA SER 16 HA SER 16 -3.185 -14.338 -3.186 122 1HB SER 16 2HB SER 16 -2.957 -15.619 -0.476 123 2HB SER 16 1HB SER 16 -3.839 -16.181 -1.894 124 HG SER 16 HG SER 16 -1.567 -17.049 -1.202 125 H PHE 17 H PHE 17 -2.506 -11.827 -1.531 126 HA PHE 17 HA PHE 17 -5.237 -11.440 -0.573 127 1HB PHE 17 2HB PHE 17 -2.762 -11.018 1.103 128 2HB PHE 17 1HB PHE 17 -4.306 -10.258 1.477 129 HD1 PHE 17 HD1 PHE 17 -6.294 -11.733 1.943 130 HD2 PHE 17 HD2 PHE 17 -2.314 -13.226 1.734 131 HE1 PHE 17 HE1 PHE 17 -6.990 -13.749 3.170 132 HE2 PHE 17 HE2 PHE 17 -3.003 -15.244 2.960 133 HZ PHE 17 HZ PHE 17 -5.343 -15.509 3.680 134 H GLU 18 H GLU 18 -5.950 -9.745 -1.683 135 HA GLU 18 HA GLU 18 -4.228 -7.862 -2.924 136 1HB GLU 18 2HB GLU 18 -7.216 -7.848 -2.492 137 2HB GLU 18 1HB GLU 18 -6.361 -6.658 -3.462 138 1HG GLU 18 2HG GLU 18 -5.947 -9.526 -4.095 139 2HG GLU 18 1HG GLU 18 -7.490 -8.791 -4.528 140 H ARG 19 H ARG 19 -3.642 -5.831 -2.367 141 HA ARG 19 HA ARG 19 -4.792 -4.599 0.018 142 1HB ARG 19 2HB ARG 19 -1.968 -5.527 -0.266 143 2HB ARG 19 1HB ARG 19 -2.276 -4.034 0.612 144 1HG ARG 19 2HG ARG 19 -4.095 -5.651 1.768 145 2HG ARG 19 1HG ARG 19 -2.842 -6.823 1.356 146 1HD ARG 19 2HD ARG 19 -1.193 -5.574 2.573 147 2HD ARG 19 1HD ARG 19 -2.328 -4.254 2.845 148 HE ARG 19 HE ARG 19 -3.570 -6.355 3.993 149 1HH1 ARG 19 1HH1 ARG 19 -0.339 -5.067 4.295 150 2HH1 ARG 19 2HH1 ARG 19 -0.157 -5.574 5.940 151 1HH2 ARG 19 1HH2 ARG 19 -3.331 -7.021 6.158 152 2HH2 ARG 19 2HH2 ARG 19 -1.855 -6.683 6.998 153 H TRP 20 H TRP 20 -3.652 -2.356 0.345 154 HA TRP 20 HA TRP 20 -3.414 -1.110 -2.316 155 1HB TRP 20 2HB TRP 20 -4.600 -0.014 0.237 156 2HB TRP 20 1HB TRP 20 -4.283 0.968 -1.190 157 HD1 TRP 20 HD1 TRP 20 -6.602 -1.798 0.085 158 HE1 TRP 20 HE1 TRP 20 -8.641 -1.945 -1.472 159 HE3 TRP 20 HE3 TRP 20 -5.065 1.428 -3.573 160 HZ2 TRP 20 HZ2 TRP 20 -9.487 -0.845 -3.920 161 HZ3 TRP 20 HZ3 TRP 20 -6.553 1.824 -5.492 162 HH2 TRP 20 HH2 TRP 20 -8.719 0.709 -5.662 163 H TYR 21 H TYR 21 -1.927 0.557 -2.609 164 HA TYR 21 HA TYR 21 -0.032 1.133 -0.458 165 1HB TYR 21 2HB TYR 21 1.828 0.772 -2.267 166 2HB TYR 21 1HB TYR 21 1.198 -0.618 -1.387 167 HD1 TYR 21 HD1 TYR 21 -0.919 -1.735 -2.538 168 HD2 TYR 21 HD2 TYR 21 2.010 0.581 -4.571 169 HE1 TYR 21 HE1 TYR 21 -1.574 -2.777 -4.648 170 HE2 TYR 21 HE2 TYR 21 1.359 -0.464 -6.702 171 HH TYR 21 HH TYR 21 -0.344 -1.656 -7.725 172 H PHE 22 H PHE 22 0.772 3.181 -0.556 173 HA PHE 22 HA PHE 22 -0.451 5.002 -2.380 174 1HB PHE 22 2HB PHE 22 0.643 5.231 0.125 175 2HB PHE 22 1HB PHE 22 1.857 6.016 -0.879 176 HD1 PHE 22 HD1 PHE 22 1.240 7.972 -2.258 177 HD2 PHE 22 HD2 PHE 22 -1.462 6.232 0.530 178 HE1 PHE 22 HE1 PHE 22 -0.136 10.009 -2.327 179 HE2 PHE 22 HE2 PHE 22 -2.842 8.265 0.468 180 HZ PHE 22 HZ PHE 22 -2.182 10.158 -0.964 181 H ASN 23 H ASN 23 0.155 5.126 -4.434 182 HA ASN 23 HA ASN 23 3.019 4.922 -5.079 183 1HB ASN 23 2HB ASN 23 1.374 3.282 -6.128 184 2HB ASN 23 1HB ASN 23 0.737 4.651 -7.034 185 1HD2 ASN 23 1HD2 ASN 23 2.356 5.894 -8.297 186 2HD2 ASN 23 2HD2 ASN 23 3.612 5.004 -9.084 187 HN2 GLY 24 H GLY 24 3.326 7.152 -4.465 188 1HA GLY 24 2HA GLY 24 3.892 9.248 -5.332 189 2HA GLY 24 1HA GLY 24 2.852 8.932 -6.711 190 H ARG 25 H ARG 25 0.587 9.269 -6.498 191 HA ARG 25 HA ARG 25 -0.207 10.868 -4.163 192 1HB ARG 25 2HB ARG 25 -1.515 12.328 -5.739 193 2HB ARG 25 1HB ARG 25 0.232 12.490 -5.847 194 1HG ARG 25 2HG ARG 25 -1.217 10.629 -7.681 195 2HG ARG 25 1HG ARG 25 -1.180 12.362 -8.011 196 1HD ARG 25 2HD ARG 25 1.433 11.266 -7.326 197 2HD ARG 25 1HD ARG 25 0.729 10.531 -8.766 198 HE ARG 25 HE ARG 25 1.777 13.172 -8.528 199 1HH1 ARG 25 1HH1 ARG 25 -0.641 11.260 -10.164 200 2HH1 ARG 25 2HH1 ARG 25 -0.715 12.307 -11.542 201 1HH2 ARG 25 1HH2 ARG 25 1.681 14.549 -10.339 202 2HH2 ARG 25 2HH2 ARG 25 0.604 14.173 -11.642 203 H THR 26 H THR 26 -0.812 8.142 -5.888 204 HA THR 26 HA THR 26 -3.635 8.147 -5.070 205 HB THR 26 HB THR 26 -2.578 6.897 -7.612 206 HG1 THR 26 HG1 THR 26 -2.709 9.257 -7.562 207 1HG2 THR 26 1HG2 THR 26 -5.332 7.106 -6.450 208 2HG2 THR 26 2HG2 THR 26 -4.472 5.667 -6.999 209 3HG2 THR 26 3HG2 THR 26 -5.046 6.852 -8.173 210 H CYS 27 H CYS 27 -4.530 5.934 -4.817 211 HA CYS 27 HA CYS 27 -2.509 4.207 -3.595 212 1HB CYS 27 2HB CYS 27 -5.524 4.205 -3.344 213 2HB CYS 27 1HB CYS 27 -4.447 3.090 -2.511 214 H ALA 28 H ALA 28 -1.775 2.537 -4.677 215 HA ALA 28 HA ALA 28 -3.203 1.535 -7.000 216 1HB ALA 28 1HB ALA 28 -1.034 0.107 -7.149 217 2HB ALA 28 2HB ALA 28 -0.419 1.273 -5.977 218 3HB ALA 28 3HB ALA 28 -0.996 1.823 -7.549 219 H LYS 29 H LYS 29 -2.855 -1.014 -7.292 220 HA LYS 29 HA LYS 29 -3.490 -2.397 -4.795 221 1HB LYS 29 2HB LYS 29 -5.622 -1.612 -5.851 222 2HB LYS 29 1HB LYS 29 -5.246 -2.625 -7.240 223 1HG LYS 29 2HG LYS 29 -5.802 -4.530 -6.175 224 2HG LYS 29 1HG LYS 29 -5.199 -3.964 -4.615 225 1HD LYS 29 2HD LYS 29 -7.217 -3.221 -3.988 226 2HD LYS 29 1HD LYS 29 -7.519 -2.469 -5.555 227 1HE LYS 29 2HE LYS 29 -8.720 -4.212 -6.289 228 2HE LYS 29 1HE LYS 29 -7.592 -5.390 -5.618 229 1HZ LYS 29 1HZ LYS 29 -10.054 -5.007 -4.688 230 2HZ LYS 29 2HZ LYS 29 -9.203 -3.947 -3.683 231 3HZ LYS 29 3HZ LYS 29 -8.780 -5.583 -3.736 232 H PHE 30 H PHE 30 -2.884 -4.498 -4.715 233 HA PHE 30 HA PHE 30 -2.262 -6.032 -7.055 234 1HB PHE 30 2HB PHE 30 0.143 -6.396 -6.413 235 2HB PHE 30 1HB PHE 30 -0.218 -4.803 -7.058 236 HD1 PHE 30 HD1 PHE 30 -1.344 -5.252 -3.672 237 HD2 PHE 30 HD2 PHE 30 2.039 -4.274 -6.062 238 HE1 PHE 30 HE1 PHE 30 -0.266 -4.233 -1.718 239 HE2 PHE 30 HE2 PHE 30 3.121 -3.247 -4.108 240 HZ PHE 30 HZ PHE 30 1.970 -3.226 -1.932 241 H ILE 31 H ILE 31 -1.046 -8.158 -6.266 242 HA ILE 31 HA ILE 31 -2.662 -9.142 -4.049 243 HB ILE 31 HB ILE 31 -0.892 -10.586 -6.028 244 1HG1 ILE 31 2HG1 ILE 31 -3.476 -11.593 -6.149 245 2HG1 ILE 31 1HG1 ILE 31 -3.717 -9.864 -5.911 246 1HG2 ILE 31 1HG2 ILE 31 -0.756 -11.762 -3.924 247 2HG2 ILE 31 2HG2 ILE 31 -1.779 -12.674 -5.036 248 3HG2 ILE 31 3HG2 ILE 31 -2.511 -11.717 -3.748 249 1HD1 ILE 31 1HD1 ILE 31 -2.653 -9.322 -7.895 250 2HD1 ILE 31 2HD1 ILE 31 -3.578 -10.769 -8.297 251 3HD1 ILE 31 3HD1 ILE 31 -1.843 -10.886 -8.000 252 H TYR 32 H TYR 32 -1.793 -8.552 -2.160 253 HA TYR 32 HA TYR 32 1.072 -8.675 -1.742 254 1HB TYR 32 2HB TYR 32 -0.096 -6.761 -0.837 255 2HB TYR 32 1HB TYR 32 -1.206 -7.803 0.044 256 HD1 TYR 32 HD1 TYR 32 2.524 -7.744 -0.254 257 HD2 TYR 32 HD2 TYR 32 -0.864 -7.560 2.310 258 HE1 TYR 32 HE1 TYR 32 4.015 -7.667 1.698 259 HE2 TYR 32 HE2 TYR 32 0.617 -7.482 4.271 260 HH TYR 32 HH TYR 32 3.192 -8.364 4.668 261 HN2 GLY 33 H GLY 33 1.953 -10.554 -1.291 262 1HA GLY 33 2HA GLY 33 0.455 -12.706 -0.091 263 2HA GLY 33 1HA GLY 33 2.147 -12.746 -0.567 264 HN2 GLY 34 H GLY 34 2.686 -10.265 1.008 265 1HA GLY 34 2HA GLY 34 2.241 -9.985 3.538 266 2HA GLY 34 1HA GLY 34 2.899 -11.611 3.614 267 H CYS 35 H CYS 35 4.622 -10.358 1.182 268 HA CYS 35 HA CYS 35 6.698 -9.357 3.015 269 1HB CYS 35 2HB CYS 35 7.079 -10.644 0.304 270 2HB CYS 35 1HB CYS 35 8.354 -10.143 1.408 271 HN2 GLY 36 H GLY 36 6.221 -7.179 2.980 272 1HA GLY 36 2HA GLY 36 6.189 -5.860 0.352 273 2HA GLY 36 1HA GLY 36 5.596 -5.157 1.848 274 HN2 GLY 37 H GLY 37 7.555 -5.276 3.595 275 1HA GLY 37 2HA GLY 37 9.689 -4.584 4.163 276 2HA GLY 37 1HA GLY 37 10.125 -4.647 2.464 277 H ASN 38 H ASN 38 7.342 -2.804 3.427 278 HA ASN 38 HA ASN 38 8.880 -0.326 3.478 279 1HB ASN 38 2HB ASN 38 7.901 -1.075 1.097 280 2HB ASN 38 1HB ASN 38 6.466 -0.290 1.748 281 1HD2 ASN 38 1HD2 ASN 38 9.417 0.147 0.212 282 2HD2 ASN 38 2HD2 ASN 38 9.505 1.870 0.316 283 HN2 GLY 39 H GLY 39 7.176 1.575 3.723 284 1HA GLY 39 2HA GLY 39 5.300 0.700 5.830 285 2HA GLY 39 1HA GLY 39 6.158 2.233 5.854 286 H ASN 40 H ASN 40 5.297 1.747 2.712 287 HA ASN 40 HA ASN 40 3.044 3.573 2.991 288 1HB ASN 40 2HB ASN 40 3.353 4.138 0.736 289 2HB ASN 40 1HB ASN 40 4.985 3.877 1.339 290 1HD2 ASN 40 1HD2 ASN 40 2.705 3.050 -0.990 291 2HD2 ASN 40 2HD2 ASN 40 3.565 1.748 -1.732 292 H LYS 41 H LYS 41 3.348 0.305 3.010 293 HA LYS 41 HA LYS 41 1.258 -0.441 1.208 294 1HB LYS 41 2HB LYS 41 1.385 -2.639 2.375 295 2HB LYS 41 1HB LYS 41 2.937 -2.071 1.776 296 1HG LYS 41 2HG LYS 41 3.688 -1.518 3.932 297 2HG LYS 41 1HG LYS 41 2.064 -1.633 4.612 298 1HD LYS 41 2HD LYS 41 2.110 -3.918 4.692 299 2HD LYS 41 1HD LYS 41 3.206 -4.052 3.315 300 1HE LYS 41 2HE LYS 41 4.547 -4.682 5.096 301 2HE LYS 41 1HE LYS 41 4.946 -2.976 4.895 302 1HZ LYS 41 1HZ LYS 41 4.298 -4.056 7.228 303 2HZ LYS 41 2HZ LYS 41 2.759 -3.573 6.716 304 3HZ LYS 41 3HZ LYS 41 4.001 -2.434 6.851 305 H PHE 42 H PHE 42 -0.787 -1.411 1.866 306 HA PHE 42 HA PHE 42 -1.823 -0.900 4.492 307 1HB PHE 42 2HB PHE 42 -2.601 0.857 2.179 308 2HB PHE 42 1HB PHE 42 -3.720 0.560 3.507 309 HD1 PHE 42 HD1 PHE 42 -2.528 0.836 5.912 310 HD2 PHE 42 HD2 PHE 42 -1.363 2.773 2.307 311 HE1 PHE 42 HE1 PHE 42 -1.445 2.616 7.222 312 HE2 PHE 42 HE2 PHE 42 -0.278 4.556 3.610 313 HZ PHE 42 HZ PHE 42 -0.317 4.478 6.071 314 HA PRO 43 HA PRO 43 -4.448 -4.206 3.222 315 1HB PRO 43 2HB PRO 43 -6.459 -3.998 5.010 316 2HB PRO 43 1HB PRO 43 -4.836 -4.527 5.468 317 1HG PRO 43 2HG PRO 43 -6.107 -1.835 5.771 318 2HG PRO 43 1HG PRO 43 -5.093 -2.730 6.917 319 1HD PRO 43 2HD PRO 43 -4.153 -0.713 5.339 320 2HD PRO 43 1HD PRO 43 -3.145 -2.058 5.908 321 H THR 44 H THR 44 -6.263 -1.205 3.910 322 HA THR 44 HA THR 44 -7.922 -1.791 1.545 323 HB THR 44 HB THR 44 -9.668 -0.353 2.777 324 HG1 THR 44 HG1 THR 44 -7.972 -1.060 4.936 325 1HG2 THR 44 1HG2 THR 44 -9.911 -2.467 4.500 326 2HG2 THR 44 2HG2 THR 44 -9.001 -3.154 3.154 327 3HG2 THR 44 3HG2 THR 44 -10.561 -2.384 2.862 328 H GLN 45 H GLN 45 -9.003 0.251 0.683 329 HA GLN 45 HA GLN 45 -6.942 2.131 0.045 330 1HB GLN 45 2HB GLN 45 -8.747 3.240 -1.293 331 2HB GLN 45 1HB GLN 45 -8.493 1.544 -1.684 332 1HG GLN 45 2HG GLN 45 -10.467 0.886 -0.606 333 2HG GLN 45 1HG GLN 45 -10.617 2.426 0.239 334 1HE2 GLN 45 1HE2 GLN 45 -9.893 1.861 -3.163 335 2HE2 GLN 45 2HE2 GLN 45 -11.306 2.640 -3.781 336 H GLU 46 H GLU 46 -9.649 2.046 2.234 337 HA GLU 46 HA GLU 46 -9.868 4.819 2.719 338 1HB GLU 46 2HB GLU 46 -11.337 2.681 3.438 339 2HB GLU 46 1HB GLU 46 -10.460 2.947 4.939 340 1HG GLU 46 2HG GLU 46 -11.247 5.452 4.463 341 2HG GLU 46 1HG GLU 46 -12.542 4.585 3.639 342 H ALA 47 H ALA 47 -7.595 2.442 3.761 343 HA ALA 47 HA ALA 47 -6.691 3.878 6.079 344 1HB ALA 47 1HB ALA 47 -5.644 1.492 4.586 345 2HB ALA 47 2HB ALA 47 -6.393 1.550 6.181 346 3HB ALA 47 3HB ALA 47 -4.775 2.210 5.942 347 H CYS 48 H CYS 48 -5.296 3.237 2.853 348 HA CYS 48 HA CYS 48 -2.991 4.777 3.170 349 1HB CYS 48 2HB CYS 48 -2.828 4.776 0.738 350 2HB CYS 48 1HB CYS 48 -3.327 3.190 1.314 351 H MET 49 H MET 49 -6.239 5.703 2.173 352 HA MET 49 HA MET 49 -5.528 8.373 1.447 353 1HB MET 49 2HB MET 49 -8.114 6.925 1.903 354 2HB MET 49 1HB MET 49 -8.104 8.674 1.726 355 1HG MET 49 2HG MET 49 -6.687 8.100 -0.421 356 2HG MET 49 1HG MET 49 -7.526 6.558 -0.272 357 1HE MET 49 1HE MET 49 -9.028 10.273 -2.185 358 2HE MET 49 2HE MET 49 -7.398 9.642 -1.954 359 3HE MET 49 3HE MET 49 -8.183 10.550 -0.662 360 H LYS 50 H LYS 50 -6.480 6.790 4.404 361 HA LYS 50 HA LYS 50 -6.896 9.317 5.783 362 1HB LYS 50 2HB LYS 50 -8.379 7.421 6.267 363 2HB LYS 50 1HB LYS 50 -7.000 6.479 6.815 364 1HG LYS 50 2HG LYS 50 -6.826 8.757 8.339 365 2HG LYS 50 1HG LYS 50 -8.565 8.492 8.214 366 1HD LYS 50 2HD LYS 50 -6.673 6.276 8.945 367 2HD LYS 50 1HD LYS 50 -7.330 7.376 10.159 368 1HE LYS 50 2HE LYS 50 -9.561 6.637 8.741 369 2HE LYS 50 1HE LYS 50 -8.600 5.159 8.747 370 1HZ LYS 50 1HZ LYS 50 -9.699 4.919 10.702 371 2HZ LYS 50 2HZ LYS 50 -9.838 6.582 10.981 372 3HZ LYS 50 3HZ LYS 50 -8.369 5.795 11.275 373 H ARG 51 H ARG 51 -4.381 6.991 5.314 374 HA ARG 51 HA ARG 51 -2.876 7.995 7.601 375 1HB ARG 51 2HB ARG 51 -3.096 5.486 6.534 376 2HB ARG 51 1HB ARG 51 -1.573 6.034 5.848 377 1HG ARG 51 2HG ARG 51 -2.283 5.897 8.770 378 2HG ARG 51 1HG ARG 51 -1.159 4.851 7.900 379 1HD ARG 51 2HD ARG 51 -0.846 7.831 8.239 380 2HD ARG 51 1HD ARG 51 -0.025 6.614 9.213 381 HE ARG 51 HE ARG 51 0.506 7.281 6.423 382 1HH1 ARG 51 1HH1 ARG 51 1.202 5.234 9.171 383 2HH1 ARG 51 2HH1 ARG 51 2.706 4.672 8.525 384 1HH2 ARG 51 1HH2 ARG 51 2.483 6.535 5.578 385 2HH2 ARG 51 2HH2 ARG 51 3.433 5.410 6.490 386 H CYS 52 H CYS 52 -3.285 8.865 4.418 387 HA CYS 52 HA CYS 52 -0.683 10.218 4.425 388 1HB CYS 52 2HB CYS 52 -1.783 8.440 2.290 389 2HB CYS 52 1HB CYS 52 -0.754 9.794 1.840 390 H ALA 53 H ALA 53 -3.959 10.064 3.090 391 HA ALA 53 HA ALA 53 -3.737 12.738 1.993 392 1HB ALA 53 1HB ALA 53 -6.392 11.475 2.116 393 2HB ALA 53 2HB ALA 53 -5.168 10.587 1.210 394 3HB ALA 53 3HB ALA 53 -5.560 12.247 0.767 395 H LYS 54 H LYS 54 -5.322 11.117 4.698 396 HA LYS 54 HA LYS 54 -6.716 13.481 5.537 397 1HB LYS 54 2HB LYS 54 -7.579 11.204 5.987 398 2HB LYS 54 1HB LYS 54 -6.214 10.919 7.058 399 1HG LYS 54 2HG LYS 54 -7.809 13.320 7.644 400 2HG LYS 54 1HG LYS 54 -8.625 11.774 7.885 401 1HD LYS 54 2HD LYS 54 -7.414 11.300 9.708 402 2HD LYS 54 1HD LYS 54 -5.908 11.808 8.943 403 1HE LYS 54 2HE LYS 54 -5.995 13.862 9.851 404 2HE LYS 54 1HE LYS 54 -7.735 14.002 9.608 405 1HZ LYS 54 1HZ LYS 54 -6.263 13.104 11.927 406 2HZ LYS 54 2HZ LYS 54 -7.606 12.152 11.540 407 3HZ LYS 54 3HZ LYS 54 -7.797 13.808 11.825 408 H ALA 55 H ALA 55 -3.655 11.973 6.238 409 HA ALA 55 HA ALA 55 -3.160 13.851 8.433 410 1HB ALA 55 1HB ALA 55 -0.999 12.437 8.602 411 2HB ALA 55 2HB ALA 55 -1.857 11.303 7.561 412 3HB ALA 55 3HB ALA 55 -2.527 11.735 9.134 Start of MODEL 18 1 1H ILE 1 1H ILE 1 5.349 12.331 4.242 2 2H ILE 1 2H ILE 1 7.060 12.195 4.255 3 3H ILE 1 3H ILE 1 6.091 10.833 3.866 4 HA ILE 1 HA ILE 1 5.216 12.169 1.981 5 HB ILE 1 HB ILE 1 6.037 14.340 2.782 6 1HG1 ILE 1 2HG1 ILE 1 5.704 13.727 0.300 7 2HG1 ILE 1 1HG1 ILE 1 6.574 15.209 0.675 8 1HG2 ILE 1 1HG2 ILE 1 8.061 14.397 3.699 9 2HG2 ILE 1 2HG2 ILE 1 8.689 14.472 2.053 10 3HG2 ILE 1 3HG2 ILE 1 8.566 12.920 2.881 11 1HD1 ILE 1 1HD1 ILE 1 8.289 14.516 -0.531 12 2HD1 ILE 1 2HD1 ILE 1 7.396 13.050 -0.936 13 3HD1 ILE 1 3HD1 ILE 1 8.451 13.078 0.476 14 H ASP 2 H ASP 2 8.223 10.944 3.224 15 HA ASP 2 HA ASP 2 9.208 10.170 0.613 16 1HB ASP 2 2HB ASP 2 10.237 10.020 3.411 17 2HB ASP 2 1HB ASP 2 10.908 8.917 2.213 18 H THR 3 H THR 3 7.370 8.783 3.202 19 HA THR 3 HA THR 3 7.779 6.057 2.324 20 HB THR 3 HB THR 3 5.822 7.148 4.352 21 HG1 THR 3 HG1 THR 3 7.953 7.582 4.965 22 1HG2 THR 3 1HG2 THR 3 6.846 4.472 4.775 23 2HG2 THR 3 2HG2 THR 3 5.906 4.615 3.290 24 3HG2 THR 3 3HG2 THR 3 5.191 5.078 4.835 25 H CYS 4 H CYS 4 5.290 8.535 2.115 26 HA CYS 4 HA CYS 4 3.326 6.841 0.929 27 1HB CYS 4 2HB CYS 4 3.618 9.759 1.436 28 2HB CYS 4 1HB CYS 4 2.462 9.260 0.205 29 H ARG 5 H ARG 5 6.205 8.027 -0.282 30 HA ARG 5 HA ARG 5 5.172 8.005 -3.037 31 1HB ARG 5 2HB ARG 5 7.060 9.392 -3.667 32 2HB ARG 5 1HB ARG 5 6.169 10.151 -2.355 33 1HG ARG 5 2HG ARG 5 8.162 10.417 -1.397 34 2HG ARG 5 1HG ARG 5 8.050 8.700 -1.006 35 1HD ARG 5 2HD ARG 5 9.007 8.614 -3.551 36 2HD ARG 5 1HD ARG 5 9.754 10.094 -2.950 37 HE ARG 5 HE ARG 5 10.216 8.273 -0.981 38 1HH1 ARG 5 1HH1 ARG 5 10.846 8.361 -4.412 39 2HH1 ARG 5 2HH1 ARG 5 12.262 7.371 -4.304 40 1HH2 ARG 5 1HH2 ARG 5 12.079 6.970 -0.837 41 2HH2 ARG 5 2HH2 ARG 5 12.963 6.582 -2.274 42 H LEU 6 H LEU 6 7.107 6.305 -0.809 43 HA LEU 6 HA LEU 6 8.884 5.164 -2.771 44 1HB LEU 6 2HB LEU 6 9.856 3.932 -1.017 45 2HB LEU 6 1HB LEU 6 9.464 5.498 -0.337 46 HG LEU 6 HG LEU 6 7.318 4.348 0.537 47 1HD1 LEU 6 1HD1 LEU 6 8.273 1.836 1.028 48 2HD1 LEU 6 2HD1 LEU 6 8.774 2.103 -0.642 49 3HD1 LEU 6 3HD1 LEU 6 7.074 2.246 -0.199 50 1HD2 LEU 6 1HD2 LEU 6 9.719 3.240 1.881 51 2HD2 LEU 6 2HD2 LEU 6 8.341 4.109 2.556 52 3HD2 LEU 6 3HD2 LEU 6 9.607 4.991 1.705 53 HA PRO 7 HA PRO 7 6.134 1.913 -3.991 54 1HB PRO 7 2HB PRO 7 7.834 0.396 -5.398 55 2HB PRO 7 1HB PRO 7 7.359 2.007 -5.954 56 1HG PRO 7 2HG PRO 7 9.868 1.142 -4.575 57 2HG PRO 7 1HG PRO 7 9.667 2.265 -5.931 58 1HD PRO 7 2HD PRO 7 10.000 3.038 -3.309 59 2HD PRO 7 1HD PRO 7 9.210 4.029 -4.552 60 H SER 8 H SER 8 5.362 0.290 -2.807 61 HA SER 8 HA SER 8 7.147 -1.191 -1.040 62 1HB SER 8 2HB SER 8 4.350 -0.422 -0.999 63 2HB SER 8 1HB SER 8 4.538 -2.146 -0.683 64 HG SER 8 HG SER 8 6.125 -0.226 0.644 65 H ASP 9 H ASP 9 7.333 -3.445 -1.043 66 HA ASP 9 HA ASP 9 6.869 -4.665 -3.644 67 1HB ASP 9 2HB ASP 9 8.668 -5.163 -1.357 68 2HB ASP 9 1HB ASP 9 8.095 -6.607 -2.188 69 H ARG 10 H ARG 10 5.772 -6.633 -3.944 70 HA ARG 10 HA ARG 10 3.569 -7.017 -2.086 71 1HB ARG 10 2HB ARG 10 4.126 -8.123 -4.836 72 2HB ARG 10 1HB ARG 10 2.713 -8.547 -3.884 73 1HG ARG 10 2HG ARG 10 1.703 -6.548 -4.229 74 2HG ARG 10 1HG ARG 10 3.231 -5.667 -4.315 75 1HD ARG 10 2HD ARG 10 2.146 -5.702 -6.491 76 2HD ARG 10 1HD ARG 10 3.649 -6.619 -6.531 77 HE ARG 10 HE ARG 10 1.650 -8.443 -5.978 78 1HH1 ARG 10 1HH1 ARG 10 2.434 -6.221 -8.555 79 2HH1 ARG 10 2HH1 ARG 10 1.725 -7.203 -9.791 80 1HH2 ARG 10 1HH2 ARG 10 0.725 -9.744 -7.613 81 2HH2 ARG 10 2HH2 ARG 10 0.753 -9.202 -9.257 82 HN2 GLY 11 H GLY 11 6.547 -8.545 -2.896 83 1HA GLY 11 2HA GLY 11 7.537 -10.464 -2.120 84 2HA GLY 11 1HA GLY 11 6.384 -10.389 -0.797 85 H ARG 12 H ARG 12 7.385 -12.130 -3.481 86 HA ARG 12 HA ARG 12 4.875 -13.324 -4.174 87 1HB ARG 12 2HB ARG 12 7.730 -14.078 -4.796 88 2HB ARG 12 1HB ARG 12 6.344 -14.975 -5.399 89 1HG ARG 12 2HG ARG 12 5.755 -12.373 -6.081 90 2HG ARG 12 1HG ARG 12 7.499 -12.478 -6.327 91 1HD ARG 12 2HD ARG 12 7.306 -14.062 -7.978 92 2HD ARG 12 1HD ARG 12 5.773 -14.675 -7.358 93 HE ARG 12 HE ARG 12 5.150 -12.179 -8.195 94 1HH1 ARG 12 1HH1 ARG 12 6.740 -14.884 -9.722 95 2HH1 ARG 12 2HH1 ARG 12 6.194 -14.468 -11.313 96 1HH2 ARG 12 1HH2 ARG 12 4.432 -11.630 -10.285 97 2HH2 ARG 12 2HH2 ARG 12 4.884 -12.621 -11.633 98 H CYS 13 H CYS 13 6.731 -13.607 -1.455 99 HA CYS 13 HA CYS 13 6.996 -16.280 -0.886 100 1HB CYS 13 2HB CYS 13 6.049 -14.241 1.132 101 2HB CYS 13 1HB CYS 13 6.994 -15.693 1.436 102 H LYS 14 H LYS 14 4.290 -14.422 0.500 103 HA LYS 14 HA LYS 14 2.613 -16.819 0.175 104 1HB LYS 14 2HB LYS 14 2.789 -14.729 2.294 105 2HB LYS 14 1HB LYS 14 1.220 -15.459 1.981 106 1HG LYS 14 2HG LYS 14 1.939 -16.904 3.558 107 2HG LYS 14 1HG LYS 14 2.678 -17.684 2.157 108 1HD LYS 14 2HD LYS 14 4.780 -17.096 2.771 109 2HD LYS 14 1HD LYS 14 4.262 -15.555 3.459 110 1HE LYS 14 2HE LYS 14 3.121 -17.183 5.226 111 2HE LYS 14 1HE LYS 14 4.431 -18.242 4.708 112 1HZ LYS 14 1HZ LYS 14 5.009 -15.458 5.468 113 2HZ LYS 14 2HZ LYS 14 6.024 -16.810 5.513 114 3HZ LYS 14 3HZ LYS 14 4.803 -16.631 6.670 115 H ALA 15 H ALA 15 2.967 -15.019 -1.975 116 HA ALA 15 HA ALA 15 1.160 -12.973 -2.283 117 1HB ALA 15 1HB ALA 15 1.076 -13.827 -4.745 118 2HB ALA 15 2HB ALA 15 2.322 -14.946 -4.192 119 3HB ALA 15 3HB ALA 15 2.583 -13.205 -4.071 120 H SER 16 H SER 16 -0.810 -13.272 -1.313 121 HA SER 16 HA SER 16 -2.827 -14.531 -2.854 122 1HB SER 16 2HB SER 16 -1.737 -16.000 -0.499 123 2HB SER 16 1HB SER 16 -3.482 -16.031 -0.753 124 HG SER 16 HG SER 16 -2.244 -17.743 -1.808 125 H PHE 17 H PHE 17 -2.249 -11.962 -1.622 126 HA PHE 17 HA PHE 17 -4.831 -11.529 -0.403 127 1HB PHE 17 2HB PHE 17 -2.278 -11.057 1.141 128 2HB PHE 17 1HB PHE 17 -3.826 -10.344 1.582 129 HD1 PHE 17 HD1 PHE 17 -5.683 -11.790 2.322 130 HD2 PHE 17 HD2 PHE 17 -1.781 -13.328 1.608 131 HE1 PHE 17 HE1 PHE 17 -6.252 -13.814 3.600 132 HE2 PHE 17 HE2 PHE 17 -2.342 -15.356 2.884 133 HZ PHE 17 HZ PHE 17 -4.580 -15.601 3.882 134 H GLU 18 H GLU 18 -5.611 -9.757 -1.314 135 HA GLU 18 HA GLU 18 -3.930 -7.938 -2.751 136 1HB GLU 18 2HB GLU 18 -6.069 -6.720 -3.181 137 2HB GLU 18 1HB GLU 18 -6.106 -8.415 -3.646 138 1HG GLU 18 2HG GLU 18 -7.006 -8.360 -1.008 139 2HG GLU 18 1HG GLU 18 -7.772 -6.981 -1.792 140 H ARG 19 H ARG 19 -3.464 -5.799 -2.295 141 HA ARG 19 HA ARG 19 -4.391 -4.641 0.205 142 1HB ARG 19 2HB ARG 19 -1.523 -5.346 -0.362 143 2HB ARG 19 1HB ARG 19 -1.939 -4.038 0.737 144 1HG ARG 19 2HG ARG 19 -3.500 -6.013 1.712 145 2HG ARG 19 1HG ARG 19 -2.136 -6.947 1.094 146 1HD ARG 19 2HD ARG 19 -0.670 -6.056 2.593 147 2HD ARG 19 1HD ARG 19 -1.526 -4.517 2.680 148 HE ARG 19 HE ARG 19 -3.245 -6.215 3.871 149 1HH1 ARG 19 1HH1 ARG 19 0.159 -5.599 4.337 150 2HH1 ARG 19 2HH1 ARG 19 0.128 -6.001 6.022 151 1HH2 ARG 19 1HH2 ARG 19 -3.287 -6.742 6.085 152 2HH2 ARG 19 2HH2 ARG 19 -1.828 -6.649 7.014 153 H TRP 20 H TRP 20 -3.720 -2.357 0.432 154 HA TRP 20 HA TRP 20 -3.570 -1.089 -2.214 155 1HB TRP 20 2HB TRP 20 -4.623 -0.082 0.433 156 2HB TRP 20 1HB TRP 20 -4.452 0.934 -0.992 157 HD1 TRP 20 HD1 TRP 20 -6.620 -1.831 0.469 158 HE1 TRP 20 HE1 TRP 20 -8.728 -2.092 -0.976 159 HE3 TRP 20 HE3 TRP 20 -5.324 1.229 -3.417 160 HZ2 TRP 20 HZ2 TRP 20 -9.713 -1.133 -3.433 161 HZ3 TRP 20 HZ3 TRP 20 -6.911 1.502 -5.278 162 HH2 TRP 20 HH2 TRP 20 -9.061 0.344 -5.285 163 H TYR 21 H TYR 21 -2.133 0.592 -2.624 164 HA TYR 21 HA TYR 21 -0.138 1.222 -0.572 165 1HB TYR 21 2HB TYR 21 1.594 1.010 -2.536 166 2HB TYR 21 1HB TYR 21 1.111 -0.425 -1.635 167 HD1 TYR 21 HD2 TYR 21 -1.053 -1.615 -2.636 168 HD2 TYR 21 HD1 TYR 21 1.617 0.845 -4.848 169 HE1 TYR 21 HE2 TYR 21 -1.811 -2.668 -4.706 170 HE2 TYR 21 HE1 TYR 21 0.856 -0.206 -6.940 171 HH TYR 21 HH TYR 21 -0.231 -2.285 -7.682 172 H PHE 22 H PHE 22 1.027 3.177 -0.967 173 HA PHE 22 HA PHE 22 -0.529 5.081 -2.519 174 1HB PHE 22 2HB PHE 22 0.834 5.226 -0.097 175 2HB PHE 22 1HB PHE 22 1.830 6.165 -1.204 176 HD1 PHE 22 HD2 PHE 22 0.399 7.792 -2.772 177 HD2 PHE 22 HD1 PHE 22 -0.803 6.342 1.045 178 HE1 PHE 22 HE2 PHE 22 -1.137 9.699 -2.535 179 HE2 PHE 22 HE1 PHE 22 -2.341 8.245 1.287 180 HZ PHE 22 HZ PHE 22 -2.510 9.927 -0.503 181 H ASN 23 H ASN 23 -0.027 5.591 -4.536 182 HA ASN 23 HA ASN 23 2.788 5.373 -5.379 183 1HB ASN 23 2HB ASN 23 1.923 4.844 -7.659 184 2HB ASN 23 1HB ASN 23 1.531 3.619 -6.457 185 1HD2 ASN 23 1HD2 ASN 23 0.338 5.383 -8.953 186 2HD2 ASN 23 2HD2 ASN 23 -1.350 5.278 -8.602 187 HN2 GLY 24 H GLY 24 3.257 7.532 -5.011 188 1HA GLY 24 2HA GLY 24 3.621 9.654 -5.875 189 2HA GLY 24 1HA GLY 24 2.411 9.327 -7.107 190 H ARG 25 H ARG 25 0.191 9.606 -6.583 191 HA ARG 25 HA ARG 25 -0.299 11.235 -4.183 192 1HB ARG 25 2HB ARG 25 -1.953 12.527 -5.657 193 2HB ARG 25 1HB ARG 25 -0.240 12.865 -5.861 194 1HG ARG 25 2HG ARG 25 -1.148 10.741 -7.613 195 2HG ARG 25 1HG ARG 25 -2.047 12.240 -7.853 196 1HD ARG 25 2HD ARG 25 0.936 12.297 -7.666 197 2HD ARG 25 1HD ARG 25 0.159 11.818 -9.175 198 HE ARG 25 HE ARG 25 -1.083 14.135 -8.567 199 1HH1 ARG 25 1HH1 ARG 25 2.282 13.241 -8.792 200 2HH1 ARG 25 2HH1 ARG 25 2.800 14.820 -9.274 201 1HH2 ARG 25 1HH2 ARG 25 -0.404 16.215 -9.202 202 2HH2 ARG 25 2HH2 ARG 25 1.275 16.510 -9.507 203 H THR 26 H THR 26 -1.402 8.786 -6.370 204 HA THR 26 HA THR 26 -3.919 8.568 -4.854 205 HB THR 26 HB THR 26 -4.408 8.934 -7.165 206 HG1 THR 26 HG1 THR 26 -5.542 7.073 -7.619 207 1HG2 THR 26 1HG2 THR 26 -2.605 6.622 -7.839 208 2HG2 THR 26 2HG2 THR 26 -2.245 8.323 -8.135 209 3HG2 THR 26 3HG2 THR 26 -3.594 7.549 -8.968 210 H CYS 27 H CYS 27 -4.758 6.201 -4.911 211 HA CYS 27 HA CYS 27 -2.608 4.558 -3.813 212 1HB CYS 27 2HB CYS 27 -5.164 5.059 -2.925 213 2HB CYS 27 1HB CYS 27 -5.323 3.470 -3.669 214 H ALA 28 H ALA 28 -3.039 2.100 -4.151 215 HA ALA 28 HA ALA 28 -3.909 1.456 -6.848 216 1HB ALA 28 1HB ALA 28 -1.661 0.222 -7.176 217 2HB ALA 28 2HB ALA 28 -1.061 1.346 -5.955 218 3HB ALA 28 3HB ALA 28 -1.740 1.959 -7.462 219 H LYS 29 H LYS 29 -3.388 -1.047 -7.214 220 HA LYS 29 HA LYS 29 -3.769 -2.519 -4.715 221 1HB LYS 29 2HB LYS 29 -5.688 -3.747 -5.631 222 2HB LYS 29 1HB LYS 29 -6.024 -2.029 -5.480 223 1HG LYS 29 2HG LYS 29 -6.259 -1.743 -7.697 224 2HG LYS 29 1HG LYS 29 -4.975 -2.887 -8.090 225 1HD LYS 29 2HD LYS 29 -6.409 -4.603 -8.305 226 2HD LYS 29 1HD LYS 29 -7.343 -4.120 -6.887 227 1HE LYS 29 2HE LYS 29 -8.161 -2.192 -8.451 228 2HE LYS 29 1HE LYS 29 -7.641 -3.280 -9.738 229 1HZ LYS 29 1HZ LYS 29 -9.311 -4.425 -7.641 230 2HZ LYS 29 2HZ LYS 29 -9.299 -4.733 -9.304 231 3HZ LYS 29 3HZ LYS 29 -10.066 -3.348 -8.706 232 H PHE 30 H PHE 30 -2.890 -4.508 -4.689 233 HA PHE 30 HA PHE 30 -2.201 -5.892 -7.128 234 1HB PHE 30 2HB PHE 30 0.224 -6.082 -6.459 235 2HB PHE 30 1HB PHE 30 -0.273 -4.501 -7.045 236 HD1 PHE 30 HD2 PHE 30 -1.401 -5.192 -3.702 237 HD2 PHE 30 HD1 PHE 30 1.915 -3.808 -5.983 238 HE1 PHE 30 HE2 PHE 30 -0.454 -4.158 -1.688 239 HE2 PHE 30 HE1 PHE 30 2.867 -2.771 -3.968 240 HZ PHE 30 HZ PHE 30 1.683 -2.945 -1.817 241 H ILE 31 H ILE 31 -0.812 -7.945 -6.477 242 HA ILE 31 HA ILE 31 -2.323 -9.222 -4.338 243 HB ILE 31 HB ILE 31 -0.316 -10.431 -6.239 244 1HG1 ILE 31 2HG1 ILE 31 -2.261 -9.469 -7.416 245 2HG1 ILE 31 1HG1 ILE 31 -2.232 -11.227 -7.522 246 1HG2 ILE 31 1HG2 ILE 31 -1.248 -11.483 -3.905 247 2HG2 ILE 31 2HG2 ILE 31 -0.675 -12.426 -5.280 248 3HG2 ILE 31 3HG2 ILE 31 -2.401 -12.125 -5.076 249 1HD1 ILE 31 1HD1 ILE 31 -3.933 -11.392 -5.822 250 2HD1 ILE 31 2HD1 ILE 31 -4.479 -10.331 -7.120 251 3HD1 ILE 31 3HD1 ILE 31 -3.915 -9.643 -5.597 252 H TYR 32 H TYR 32 -1.456 -8.508 -2.437 253 HA TYR 32 HA TYR 32 1.419 -8.553 -2.034 254 1HB TYR 32 2HB TYR 32 0.125 -6.671 -1.159 255 2HB TYR 32 1HB TYR 32 -0.840 -7.770 -0.181 256 HD1 TYR 32 HD1 TYR 32 2.516 -6.297 -0.603 257 HD2 TYR 32 HD2 TYR 32 -0.043 -8.577 1.915 258 HE1 TYR 32 HE1 TYR 32 4.122 -6.049 1.242 259 HE2 TYR 32 HE2 TYR 32 1.555 -8.335 3.768 260 HH TYR 32 HH TYR 32 3.886 -7.863 4.142 261 HN2 GLY 33 H GLY 33 2.445 -10.287 -1.361 262 1HA GLY 33 2HA GLY 33 0.966 -12.500 -0.186 263 2HA GLY 33 1HA GLY 33 2.643 -12.528 -0.709 264 HN2 GLY 34 H GLY 34 3.609 -10.315 0.749 265 1HA GLY 34 2HA GLY 34 3.142 -9.861 3.307 266 2HA GLY 34 1HA GLY 34 3.655 -11.534 3.408 267 H CYS 35 H CYS 35 5.469 -10.550 0.944 268 HA CYS 35 HA CYS 35 7.631 -9.656 2.730 269 1HB CYS 35 2HB CYS 35 7.808 -11.136 0.097 270 2HB CYS 35 1HB CYS 35 9.188 -10.586 1.038 271 HN2 GLY 36 H GLY 36 7.663 -7.490 2.641 272 1HA GLY 36 2HA GLY 36 8.833 -5.792 1.186 273 2HA GLY 36 1HA GLY 36 7.648 -6.237 -0.032 274 HN2 GLY 37 H GLY 37 7.200 -5.693 3.447 275 1HA GLY 37 2HA GLY 37 5.427 -3.435 2.745 276 2HA GLY 37 1HA GLY 37 4.995 -4.620 3.968 277 H ASN 38 H ASN 38 6.196 -1.589 3.506 278 HA ASN 38 HA ASN 38 7.532 -1.614 6.131 279 1HB ASN 38 2HB ASN 38 8.612 0.589 5.059 280 2HB ASN 38 1HB ASN 38 9.333 -1.004 4.868 281 1HD2 ASN 38 1HD2 ASN 38 10.302 -0.651 2.933 282 2HD2 ASN 38 2HD2 ASN 38 9.440 -0.360 1.464 283 HN2 GLY 39 H GLY 39 6.620 1.150 4.105 284 1HA GLY 39 2HA GLY 39 4.563 1.846 6.098 285 2HA GLY 39 1HA GLY 39 5.789 3.020 5.648 286 H ASN 40 H ASN 40 5.166 1.297 2.906 287 HA ASN 40 HA ASN 40 3.345 3.376 1.946 288 1HB ASN 40 2HB ASN 40 5.472 3.003 0.724 289 2HB ASN 40 1HB ASN 40 4.953 1.357 0.367 290 1HD2 ASN 40 1HD2 ASN 40 3.570 4.624 0.189 291 2HD2 ASN 40 2HD2 ASN 40 2.948 4.455 -1.413 292 H LYS 41 H LYS 41 3.583 -0.069 2.443 293 HA LYS 41 HA LYS 41 1.312 -0.794 0.891 294 1HB LYS 41 2HB LYS 41 1.488 -2.958 1.963 295 2HB LYS 41 1HB LYS 41 3.092 -2.389 1.519 296 1HG LYS 41 2HG LYS 41 3.767 -2.677 3.603 297 2HG LYS 41 1HG LYS 41 2.574 -1.500 4.155 298 1HD LYS 41 2HD LYS 41 0.923 -3.215 4.440 299 2HD LYS 41 1HD LYS 41 1.970 -4.416 3.681 300 1HE LYS 41 2HE LYS 41 2.095 -4.778 6.022 301 2HE LYS 41 1HE LYS 41 3.609 -4.010 5.543 302 1HZ LYS 41 1HZ LYS 41 2.572 -3.104 7.604 303 2HZ LYS 41 2HZ LYS 41 1.304 -2.512 6.655 304 3HZ LYS 41 3HZ LYS 41 2.877 -1.945 6.409 305 H PHE 42 H PHE 42 -0.714 -1.614 1.713 306 HA PHE 42 HA PHE 42 -1.536 -0.937 4.388 307 1HB PHE 42 2HB PHE 42 -2.694 0.560 2.026 308 2HB PHE 42 1HB PHE 42 -3.372 0.576 3.650 309 HD1 PHE 42 HD2 PHE 42 -2.022 1.549 5.522 310 HD2 PHE 42 HD1 PHE 42 -0.911 1.969 1.435 311 HE1 PHE 42 HE2 PHE 42 -0.554 3.431 6.118 312 HE2 PHE 42 HE1 PHE 42 0.560 3.851 2.024 313 HZ PHE 42 HZ PHE 42 0.739 4.585 4.368 314 HA PRO 43 HA PRO 43 -4.236 -4.314 3.480 315 1HB PRO 43 2HB PRO 43 -6.032 -4.073 5.479 316 2HB PRO 43 1HB PRO 43 -4.364 -4.582 5.765 317 1HG PRO 43 2HG PRO 43 -5.612 -1.890 6.144 318 2HG PRO 43 1HG PRO 43 -4.472 -2.753 7.191 319 1HD PRO 43 2HD PRO 43 -3.724 -0.771 5.471 320 2HD PRO 43 1HD PRO 43 -2.651 -2.099 5.957 321 H THR 44 H THR 44 -5.959 -1.289 4.287 322 HA THR 44 HA THR 44 -7.838 -1.904 2.103 323 HB THR 44 HB THR 44 -9.385 -0.376 3.668 324 HG1 THR 44 HG1 THR 44 -7.709 -0.284 5.281 325 1HG2 THR 44 1HG2 THR 44 -10.646 -2.192 3.884 326 2HG2 THR 44 2HG2 THR 44 -9.383 -3.077 4.739 327 3HG2 THR 44 3HG2 THR 44 -9.385 -3.025 2.976 328 H GLN 45 H GLN 45 -8.955 0.030 1.236 329 HA GLN 45 HA GLN 45 -7.051 2.036 0.557 330 1HB GLN 45 2HB GLN 45 -8.842 3.009 -0.781 331 2HB GLN 45 1HB GLN 45 -8.770 1.269 -1.023 332 1HG GLN 45 2HG GLN 45 -11.030 1.648 -0.838 333 2HG GLN 45 1HG GLN 45 -10.594 1.179 0.805 334 1HE2 GLN 45 1HE2 GLN 45 -10.497 4.180 -1.096 335 2HE2 GLN 45 2HE2 GLN 45 -11.301 5.153 0.084 336 H GLU 46 H GLU 46 -9.630 1.796 2.889 337 HA GLU 46 HA GLU 46 -10.118 4.482 3.420 338 1HB GLU 46 2HB GLU 46 -10.782 1.995 4.588 339 2HB GLU 46 1HB GLU 46 -10.115 2.988 5.877 340 1HG GLU 46 2HG GLU 46 -11.718 4.757 5.331 341 2HG GLU 46 1HG GLU 46 -12.397 3.738 4.063 342 H ALA 47 H ALA 47 -7.588 2.350 4.672 343 HA ALA 47 HA ALA 47 -6.484 4.316 6.432 344 1HB ALA 47 1HB ALA 47 -4.740 2.126 5.513 345 2HB ALA 47 2HB ALA 47 -6.250 1.635 6.279 346 3HB ALA 47 3HB ALA 47 -5.118 2.670 7.148 347 H CYS 48 H CYS 48 -6.067 3.470 3.090 348 HA CYS 48 HA CYS 48 -3.542 4.492 2.554 349 1HB CYS 48 2HB CYS 48 -4.935 3.216 0.944 350 2HB CYS 48 1HB CYS 48 -5.975 4.623 0.760 351 H MET 49 H MET 49 -6.674 6.182 2.282 352 HA MET 49 HA MET 49 -5.340 8.726 1.949 353 1HB MET 49 2HB MET 49 -8.239 7.910 2.062 354 2HB MET 49 1HB MET 49 -7.737 9.593 1.971 355 1HG MET 49 2HG MET 49 -6.322 8.432 -0.071 356 2HG MET 49 1HG MET 49 -7.850 7.555 -0.103 357 1HE MET 49 1HE MET 49 -10.435 9.230 -0.538 358 2HE MET 49 2HE MET 49 -10.162 10.832 0.147 359 3HE MET 49 3HE MET 49 -9.728 9.394 1.070 360 H LYS 50 H LYS 50 -6.876 6.927 4.503 361 HA LYS 50 HA LYS 50 -7.263 9.120 6.275 362 1HB LYS 50 2HB LYS 50 -8.490 6.974 6.452 363 2HB LYS 50 1HB LYS 50 -6.995 6.182 6.928 364 1HG LYS 50 2HG LYS 50 -7.652 6.586 9.016 365 2HG LYS 50 1HG LYS 50 -7.146 8.248 8.713 366 1HD LYS 50 2HD LYS 50 -9.714 8.078 7.643 367 2HD LYS 50 1HD LYS 50 -9.796 7.175 9.157 368 1HE LYS 50 2HE LYS 50 -8.880 9.082 10.360 369 2HE LYS 50 1HE LYS 50 -8.731 9.982 8.851 370 1HZ LYS 50 1HZ LYS 50 -11.251 9.545 8.675 371 2HZ LYS 50 2HZ LYS 50 -10.704 10.758 9.719 372 3HZ LYS 50 3HZ LYS 50 -11.166 9.253 10.339 373 H ARG 51 H ARG 51 -4.469 7.478 5.273 374 HA ARG 51 HA ARG 51 -3.039 8.161 7.738 375 1HB ARG 51 2HB ARG 51 -2.520 6.244 5.504 376 2HB ARG 51 1HB ARG 51 -1.162 6.852 6.440 377 1HG ARG 51 2HG ARG 51 -3.427 5.866 8.029 378 2HG ARG 51 1HG ARG 51 -2.588 4.647 7.067 379 1HD ARG 51 2HD ARG 51 -1.438 4.633 9.092 380 2HD ARG 51 1HD ARG 51 -0.436 5.646 8.053 381 HE ARG 51 HE ARG 51 -2.175 7.346 9.372 382 1HH1 ARG 51 1HH1 ARG 51 0.357 5.105 10.230 383 2HH1 ARG 51 2HH1 ARG 51 0.813 5.971 11.658 384 1HH2 ARG 51 1HH2 ARG 51 -1.577 8.489 11.249 385 2HH2 ARG 51 2HH2 ARG 51 -0.284 7.893 12.237 386 H CYS 52 H CYS 52 -3.001 8.744 4.245 387 HA CYS 52 HA CYS 52 -0.909 10.770 4.675 388 1HB CYS 52 2HB CYS 52 -1.001 8.735 2.825 389 2HB CYS 52 1HB CYS 52 -1.554 10.123 1.894 390 H ALA 53 H ALA 53 -4.149 10.264 3.446 391 HA ALA 53 HA ALA 53 -4.339 12.968 2.417 392 1HB ALA 53 1HB ALA 53 -6.797 11.369 2.702 393 2HB ALA 53 2HB ALA 53 -5.548 10.687 1.660 394 3HB ALA 53 3HB ALA 53 -6.194 12.294 1.327 395 H LYS 54 H LYS 54 -5.126 11.233 5.319 396 HA LYS 54 HA LYS 54 -6.700 13.500 6.308 397 1HB LYS 54 2HB LYS 54 -6.411 10.650 7.233 398 2HB LYS 54 1HB LYS 54 -7.134 11.883 8.256 399 1HG LYS 54 2HG LYS 54 -8.131 11.334 5.480 400 2HG LYS 54 1HG LYS 54 -8.707 10.437 6.887 401 1HD LYS 54 2HD LYS 54 -9.743 12.287 7.807 402 2HD LYS 54 1HD LYS 54 -8.714 13.424 6.933 403 1HE LYS 54 2HE LYS 54 -10.047 13.433 5.120 404 2HE LYS 54 1HE LYS 54 -10.374 11.703 5.229 405 1HZ LYS 54 1HZ LYS 54 -11.709 12.597 7.350 406 2HZ LYS 54 2HZ LYS 54 -12.404 12.429 5.817 407 3HZ LYS 54 3HZ LYS 54 -11.854 13.942 6.334 408 H ALA 55 H ALA 55 -4.216 11.274 7.585 409 HA ALA 55 HA ALA 55 -3.462 12.879 9.750 410 1HB ALA 55 1HB ALA 55 -1.354 11.210 8.539 411 2HB ALA 55 2HB ALA 55 -2.848 10.379 8.970 412 3HB ALA 55 3HB ALA 55 -1.947 11.267 10.199 Start of MODEL 19 1 1H ILE 1 1H ILE 1 3.278 13.304 2.277 2 2H ILE 1 2H ILE 1 4.799 13.535 3.037 3 3H ILE 1 3H ILE 1 4.118 11.963 2.934 4 HA ILE 1 HA ILE 1 4.181 12.250 0.478 5 HB ILE 1 HB ILE 1 4.547 14.674 0.475 6 1HG1 ILE 1 2HG1 ILE 1 6.326 14.736 -1.212 7 2HG1 ILE 1 1HG1 ILE 1 6.885 13.148 -0.698 8 1HG2 ILE 1 1HG2 ILE 1 5.903 15.462 2.067 9 2HG2 ILE 1 2HG2 ILE 1 7.209 15.091 0.942 10 3HG2 ILE 1 3HG2 ILE 1 6.781 13.939 2.206 11 1HD1 ILE 1 1HD1 ILE 1 4.161 13.703 -1.842 12 2HD1 ILE 1 2HD1 ILE 1 4.861 12.127 -1.473 13 3HD1 ILE 1 3HD1 ILE 1 5.541 13.114 -2.768 14 H ASP 2 H ASP 2 6.207 12.109 3.270 15 HA ASP 2 HA ASP 2 8.566 11.074 2.224 16 1HB ASP 2 2HB ASP 2 7.329 11.295 4.817 17 2HB ASP 2 1HB ASP 2 8.099 9.719 4.659 18 H THR 3 H THR 3 6.349 8.961 4.009 19 HA THR 3 HA THR 3 7.186 6.579 2.901 20 HB THR 3 HB THR 3 4.350 7.136 3.769 21 HG1 THR 3 HG1 THR 3 6.551 6.447 5.414 22 1HG2 THR 3 1HG2 THR 3 4.140 4.957 3.371 23 2HG2 THR 3 2HG2 THR 3 5.101 4.744 4.836 24 3HG2 THR 3 3HG2 THR 3 5.882 4.712 3.255 25 H CYS 4 H CYS 4 5.062 8.967 1.555 26 HA CYS 4 HA CYS 4 3.785 7.330 -0.370 27 1HB CYS 4 2HB CYS 4 3.753 10.076 0.402 28 2HB CYS 4 1HB CYS 4 3.981 10.002 -1.341 29 H ARG 5 H ARG 5 6.999 8.331 -0.151 30 HA ARG 5 HA ARG 5 7.407 8.418 -3.033 31 1HB ARG 5 2HB ARG 5 9.596 9.199 -2.592 32 2HB ARG 5 1HB ARG 5 8.554 10.009 -1.431 33 1HG ARG 5 2HG ARG 5 9.306 7.819 -0.017 34 2HG ARG 5 1HG ARG 5 10.739 8.104 -1.004 35 1HD ARG 5 2HD ARG 5 11.068 10.241 -0.121 36 2HD ARG 5 1HD ARG 5 9.417 10.342 0.488 37 HE ARG 5 HE ARG 5 10.094 9.274 2.396 38 1HH1 ARG 5 1HH1 ARG 5 12.537 8.846 -0.060 39 2HH1 ARG 5 2HH1 ARG 5 13.676 8.121 1.023 40 1HH2 ARG 5 1HH2 ARG 5 11.592 8.320 3.822 41 2HH2 ARG 5 2HH2 ARG 5 13.139 7.820 3.226 42 H LEU 6 H LEU 6 7.943 6.272 -0.317 43 HA LEU 6 HA LEU 6 9.525 4.461 -1.965 44 1HB LEU 6 2HB LEU 6 9.456 3.064 0.208 45 2HB LEU 6 1HB LEU 6 10.441 4.512 0.150 46 HG LEU 6 HG LEU 6 7.672 4.810 1.186 47 1HD1 LEU 6 1HD1 LEU 6 8.492 2.707 2.210 48 2HD1 LEU 6 2HD1 LEU 6 8.239 4.008 3.374 49 3HD1 LEU 6 3HD1 LEU 6 9.872 3.599 2.849 50 1HD2 LEU 6 1HD2 LEU 6 8.614 6.803 1.531 51 2HD2 LEU 6 2HD2 LEU 6 10.243 6.176 1.294 52 3HD2 LEU 6 3HD2 LEU 6 9.466 6.038 2.871 53 HA PRO 7 HA PRO 7 5.698 2.334 -2.994 54 1HB PRO 7 2HB PRO 7 6.755 0.629 -4.796 55 2HB PRO 7 1HB PRO 7 6.476 2.335 -5.166 56 1HG PRO 7 2HG PRO 7 9.016 0.959 -4.379 57 2HG PRO 7 1HG PRO 7 8.750 2.180 -5.637 58 1HD PRO 7 2HD PRO 7 9.769 2.768 -3.181 59 2HD PRO 7 1HD PRO 7 8.814 3.919 -4.136 60 H SER 8 H SER 8 4.817 0.260 -2.626 61 HA SER 8 HA SER 8 6.413 -1.382 -0.791 62 1HB SER 8 2HB SER 8 3.492 -0.847 -1.100 63 2HB SER 8 1HB SER 8 3.988 -2.404 -0.439 64 HG SER 8 HG SER 8 5.074 -1.328 1.202 65 H ASP 9 H ASP 9 6.852 -3.493 -1.175 66 HA ASP 9 HA ASP 9 6.303 -4.477 -3.860 67 1HB ASP 9 2HB ASP 9 8.313 -5.008 -1.777 68 2HB ASP 9 1HB ASP 9 7.775 -6.442 -2.647 69 H ARG 10 H ARG 10 5.355 -6.515 -4.281 70 HA ARG 10 HA ARG 10 3.281 -7.201 -2.382 71 1HB ARG 10 2HB ARG 10 3.866 -8.091 -5.199 72 2HB ARG 10 1HB ARG 10 2.545 -8.745 -4.244 73 1HG ARG 10 2HG ARG 10 1.327 -6.811 -4.348 74 2HG ARG 10 1HG ARG 10 2.755 -5.795 -4.550 75 1HD ARG 10 2HD ARG 10 1.565 -5.816 -6.623 76 2HD ARG 10 1HD ARG 10 3.036 -6.766 -6.827 77 HE ARG 10 HE ARG 10 1.206 -8.632 -6.158 78 1HH1 ARG 10 1HH1 ARG 10 1.246 -6.108 -8.571 79 2HH1 ARG 10 2HH1 ARG 10 0.265 -6.990 -9.693 80 1HH2 ARG 10 1HH2 ARG 10 -0.077 -9.798 -7.643 81 2HH2 ARG 10 2HH2 ARG 10 -0.485 -9.083 -9.167 82 HN2 GLY 11 H GLY 11 6.376 -8.400 -3.253 83 1HA GLY 11 2HA GLY 11 7.539 -10.272 -2.606 84 2HA GLY 11 1HA GLY 11 6.443 -10.318 -1.234 85 H ARG 12 H ARG 12 7.335 -11.762 -4.194 86 HA ARG 12 HA ARG 12 4.993 -13.149 -4.862 87 1HB ARG 12 2HB ARG 12 7.500 -12.945 -5.927 88 2HB ARG 12 1HB ARG 12 7.510 -14.597 -5.329 89 1HG ARG 12 2HG ARG 12 5.332 -14.919 -6.578 90 2HG ARG 12 1HG ARG 12 5.665 -13.368 -7.351 91 1HD ARG 12 2HD ARG 12 6.441 -15.183 -8.757 92 2HD ARG 12 1HD ARG 12 7.811 -14.248 -8.158 93 HE ARG 12 HE ARG 12 7.152 -16.565 -6.570 94 1HH1 ARG 12 1HH1 ARG 12 9.019 -15.340 -9.254 95 2HH1 ARG 12 2HH1 ARG 12 10.202 -16.602 -9.167 96 1HH2 ARG 12 1HH2 ARG 12 8.706 -18.224 -6.457 97 2HH2 ARG 12 2HH2 ARG 12 10.024 -18.240 -7.581 98 H CYS 13 H CYS 13 7.098 -13.535 -2.210 99 HA CYS 13 HA CYS 13 7.309 -16.104 -1.548 100 1HB CYS 13 2HB CYS 13 6.519 -15.288 0.869 101 2HB CYS 13 1HB CYS 13 8.062 -14.816 0.172 102 H LYS 14 H LYS 14 4.553 -14.670 0.143 103 HA LYS 14 HA LYS 14 3.003 -17.062 -0.582 104 1HB LYS 14 2HB LYS 14 2.553 -15.281 1.811 105 2HB LYS 14 1HB LYS 14 1.851 -16.865 1.509 106 1HG LYS 14 2HG LYS 14 4.807 -16.673 1.636 107 2HG LYS 14 1HG LYS 14 3.902 -16.514 3.142 108 1HD LYS 14 2HD LYS 14 4.386 -18.809 2.949 109 2HD LYS 14 1HD LYS 14 2.697 -18.649 2.466 110 1HE LYS 14 2HE LYS 14 3.113 -19.311 0.363 111 2HE LYS 14 1HE LYS 14 4.598 -18.366 0.260 112 1HZ LYS 14 1HZ LYS 14 5.085 -20.706 0.099 113 2HZ LYS 14 2HZ LYS 14 4.296 -21.018 1.562 114 3HZ LYS 14 3HZ LYS 14 5.719 -20.103 1.547 115 H ALA 15 H ALA 15 2.754 -15.426 -2.556 116 HA ALA 15 HA ALA 15 1.004 -13.254 -2.377 117 1HB ALA 15 1HB ALA 15 0.922 -13.279 -4.692 118 2HB ALA 15 2HB ALA 15 1.036 -15.036 -4.778 119 3HB ALA 15 3HB ALA 15 2.456 -14.081 -4.354 120 H SER 16 H SER 16 -0.849 -13.530 -1.208 121 HA SER 16 HA SER 16 -2.983 -14.982 -2.454 122 1HB SER 16 2HB SER 16 -1.576 -16.619 -0.930 123 2HB SER 16 1HB SER 16 -2.509 -15.861 0.362 124 HG SER 16 HG SER 16 -4.135 -17.036 -0.223 125 H PHE 17 H PHE 17 -2.312 -12.246 -1.507 126 HA PHE 17 HA PHE 17 -4.845 -11.736 -0.186 127 1HB PHE 17 2HB PHE 17 -2.198 -10.970 1.052 128 2HB PHE 17 1HB PHE 17 -3.733 -10.248 1.522 129 HD1 PHE 17 HD1 PHE 17 -5.611 -12.262 1.845 130 HD2 PHE 17 HD2 PHE 17 -1.421 -12.504 2.552 131 HE1 PHE 17 HE1 PHE 17 -5.990 -14.101 3.435 132 HE2 PHE 17 HE2 PHE 17 -1.792 -14.344 4.143 133 HZ PHE 17 HZ PHE 17 -4.079 -15.145 4.585 134 H GLU 18 H GLU 18 -5.173 -9.293 0.054 135 HA GLU 18 HA GLU 18 -3.883 -7.889 -2.192 136 1HB GLU 18 2HB GLU 18 -6.590 -8.626 -1.981 137 2HB GLU 18 1HB GLU 18 -6.545 -6.897 -1.667 138 1HG GLU 18 2HG GLU 18 -5.796 -6.394 -3.773 139 2HG GLU 18 1HG GLU 18 -5.056 -7.977 -4.006 140 H ARG 19 H ARG 19 -3.378 -5.734 -1.889 141 HA ARG 19 HA ARG 19 -4.150 -4.471 0.633 142 1HB ARG 19 2HB ARG 19 -1.298 -4.932 -0.241 143 2HB ARG 19 1HB ARG 19 -1.755 -3.772 0.997 144 1HG ARG 19 2HG ARG 19 -2.731 -6.542 1.337 145 2HG ARG 19 1HG ARG 19 -1.003 -6.262 1.553 146 1HD ARG 19 2HD ARG 19 -1.304 -4.968 3.408 147 2HD ARG 19 1HD ARG 19 -2.882 -4.388 2.880 148 HE ARG 19 HE ARG 19 -3.869 -6.188 3.917 149 1HH1 ARG 19 1HH1 ARG 19 -0.412 -6.666 3.805 150 2HH1 ARG 19 2HH1 ARG 19 -0.439 -8.018 4.886 151 1HH2 ARG 19 1HH2 ARG 19 -3.905 -7.969 5.337 152 2HH2 ARG 19 2HH2 ARG 19 -2.420 -8.759 5.755 153 H TRP 20 H TRP 20 -3.834 -2.184 0.681 154 HA TRP 20 HA TRP 20 -3.837 -1.001 -2.006 155 1HB TRP 20 2HB TRP 20 -4.876 0.040 0.638 156 2HB TRP 20 1HB TRP 20 -4.870 0.976 -0.853 157 HD1 TRP 20 HD1 TRP 20 -6.644 -1.955 0.835 158 HE1 TRP 20 HE1 TRP 20 -8.799 -2.478 -0.464 159 HE3 TRP 20 HE3 TRP 20 -5.941 1.130 -3.184 160 HZ2 TRP 20 HZ2 TRP 20 -10.036 -1.693 -2.865 161 HZ3 TRP 20 HZ3 TRP 20 -7.664 1.182 -4.940 162 HH2 TRP 20 HH2 TRP 20 -9.669 -0.202 -4.783 163 H TYR 21 H TYR 21 -2.620 0.871 -2.456 164 HA TYR 21 HA TYR 21 -0.616 1.715 -0.508 165 1HB TYR 21 2HB TYR 21 1.110 1.510 -2.464 166 2HB TYR 21 1HB TYR 21 0.716 0.081 -1.511 167 HD1 TYR 21 HD1 TYR 21 -1.291 -1.344 -2.447 168 HD2 TYR 21 HD2 TYR 21 1.045 1.336 -4.779 169 HE1 TYR 21 HE1 TYR 21 -2.006 -2.503 -4.479 170 HE2 TYR 21 HE2 TYR 21 0.333 0.177 -6.829 171 HH TYR 21 HH TYR 21 -0.569 -2.310 -7.341 172 H PHE 22 H PHE 22 0.216 3.786 -0.899 173 HA PHE 22 HA PHE 22 -1.295 5.305 -2.908 174 1HB PHE 22 2HB PHE 22 -0.241 7.278 -1.484 175 2HB PHE 22 1HB PHE 22 -1.701 6.447 -0.964 176 HD1 PHE 22 HD1 PHE 22 1.978 6.527 -0.500 177 HD2 PHE 22 HD2 PHE 22 -1.793 5.387 1.105 178 HE1 PHE 22 HE1 PHE 22 3.060 5.981 1.640 179 HE2 PHE 22 HE2 PHE 22 -0.719 4.839 3.249 180 HZ PHE 22 HZ PHE 22 1.710 5.137 3.519 181 H ASN 23 H ASN 23 -0.293 5.753 -4.730 182 HA ASN 23 HA ASN 23 2.636 5.872 -4.765 183 1HB ASN 23 2HB ASN 23 1.184 4.387 -6.350 184 2HB ASN 23 1HB ASN 23 0.923 5.891 -7.230 185 1HD2 ASN 23 1HD2 ASN 23 2.951 7.112 -7.748 186 2HD2 ASN 23 2HD2 ASN 23 4.310 6.186 -8.275 187 HN2 GLY 24 H GLY 24 3.019 7.949 -4.035 188 1HA GLY 24 2HA GLY 24 3.540 10.165 -4.481 189 2HA GLY 24 1HA GLY 24 2.664 10.034 -5.999 190 H ARG 25 H ARG 25 0.162 9.329 -5.195 191 HA ARG 25 HA ARG 25 -0.843 10.854 -3.033 192 1HB ARG 25 2HB ARG 25 -2.112 12.513 -4.442 193 2HB ARG 25 1HB ARG 25 -0.378 12.788 -4.344 194 1HG ARG 25 2HG ARG 25 -0.464 11.281 -6.559 195 2HG ARG 25 1HG ARG 25 -2.055 12.040 -6.649 196 1HD ARG 25 2HD ARG 25 -0.105 14.006 -5.932 197 2HD ARG 25 1HD ARG 25 0.445 13.136 -7.363 198 HE ARG 25 HE ARG 25 -1.225 14.132 -8.568 199 1HH1 ARG 25 1HH1 ARG 25 -1.916 14.507 -5.167 200 2HH1 ARG 25 2HH1 ARG 25 -3.252 15.577 -5.429 201 1HH2 ARG 25 1HH2 ARG 25 -2.982 15.536 -8.913 202 2HH2 ARG 25 2HH2 ARG 25 -3.859 16.161 -7.556 203 H THR 26 H THR 26 -1.386 9.209 -6.083 204 HA THR 26 HA THR 26 -4.195 8.777 -5.539 205 HB THR 26 HB THR 26 -3.421 9.094 -7.847 206 HG1 THR 26 HG1 THR 26 -4.339 6.442 -7.469 207 1HG2 THR 26 1HG2 THR 26 -1.324 8.179 -8.092 208 2HG2 THR 26 2HG2 THR 26 -2.347 6.989 -8.896 209 3HG2 THR 26 3HG2 THR 26 -1.763 6.686 -7.261 210 H CYS 27 H CYS 27 -5.111 6.575 -5.519 211 HA CYS 27 HA CYS 27 -3.439 4.815 -3.876 212 1HB CYS 27 2HB CYS 27 -6.416 5.114 -4.196 213 2HB CYS 27 1HB CYS 27 -5.716 3.685 -3.442 214 H ALA 28 H ALA 28 -3.469 2.531 -4.231 215 HA ALA 28 HA ALA 28 -4.377 1.614 -6.845 216 1HB ALA 28 1HB ALA 28 -2.069 0.482 -7.096 217 2HB ALA 28 2HB ALA 28 -1.524 1.725 -5.969 218 3HB ALA 28 3HB ALA 28 -2.240 2.185 -7.513 219 H LYS 29 H LYS 29 -3.732 -0.880 -7.019 220 HA LYS 29 HA LYS 29 -3.901 -2.201 -4.432 221 1HB LYS 29 2HB LYS 29 -6.250 -1.567 -5.477 222 2HB LYS 29 1HB LYS 29 -5.958 -3.015 -6.430 223 1HG LYS 29 2HG LYS 29 -5.778 -4.350 -4.434 224 2HG LYS 29 1HG LYS 29 -5.915 -2.910 -3.421 225 1HD LYS 29 2HD LYS 29 -8.076 -3.705 -3.367 226 2HD LYS 29 1HD LYS 29 -8.162 -2.573 -4.718 227 1HE LYS 29 2HE LYS 29 -7.761 -4.469 -6.266 228 2HE LYS 29 1HE LYS 29 -7.816 -5.565 -4.886 229 1HZ LYS 29 1HZ LYS 29 -10.037 -3.789 -5.748 230 2HZ LYS 29 2HZ LYS 29 -10.086 -4.896 -4.470 231 3HZ LYS 29 3HZ LYS 29 -9.938 -5.449 -6.062 232 H PHE 30 H PHE 30 -3.250 -4.328 -4.439 233 HA PHE 30 HA PHE 30 -2.802 -5.772 -6.873 234 1HB PHE 30 2HB PHE 30 -0.320 -6.049 -6.417 235 2HB PHE 30 1HB PHE 30 -0.822 -4.503 -7.086 236 HD1 PHE 30 HD1 PHE 30 -1.577 -4.984 -3.582 237 HD2 PHE 30 HD2 PHE 30 1.415 -3.707 -6.327 238 HE1 PHE 30 HE1 PHE 30 -0.408 -3.826 -1.761 239 HE2 PHE 30 HE2 PHE 30 2.587 -2.542 -4.506 240 HZ PHE 30 HZ PHE 30 1.677 -2.601 -2.220 241 H ILE 31 H ILE 31 -1.422 -7.848 -6.301 242 HA ILE 31 HA ILE 31 -2.752 -8.998 -3.983 243 HB ILE 31 HB ILE 31 -1.002 -10.332 -6.051 244 1HG1 ILE 31 2HG1 ILE 31 -3.059 -9.337 -7.005 245 2HG1 ILE 31 1HG1 ILE 31 -3.069 -11.097 -7.083 246 1HG2 ILE 31 1HG2 ILE 31 -2.930 -11.584 -4.102 247 2HG2 ILE 31 2HG2 ILE 31 -1.185 -11.500 -3.859 248 3HG2 ILE 31 3HG2 ILE 31 -1.844 -12.416 -5.214 249 1HD1 ILE 31 1HD1 ILE 31 -4.896 -11.241 -5.823 250 2HD1 ILE 31 2HD1 ILE 31 -5.093 -9.518 -6.142 251 3HD1 ILE 31 3HD1 ILE 31 -4.299 -10.056 -4.663 252 H TYR 32 H TYR 32 -1.740 -8.581 -2.111 253 HA TYR 32 HA TYR 32 1.162 -8.497 -1.988 254 1HB TYR 32 2HB TYR 32 -0.043 -6.774 -0.786 255 2HB TYR 32 1HB TYR 32 -0.967 -7.982 0.100 256 HD1 TYR 32 HD2 TYR 32 2.636 -7.194 -0.547 257 HD2 TYR 32 HD1 TYR 32 -0.333 -8.309 2.287 258 HE1 TYR 32 HE2 TYR 32 4.335 -7.176 1.229 259 HE2 TYR 32 HE1 TYR 32 1.358 -8.293 4.073 260 HH TYR 32 HH TYR 32 3.736 -8.453 4.359 261 HN2 GLY 33 H GLY 33 2.355 -10.198 -1.519 262 1HA GLY 33 2HA GLY 33 1.097 -12.621 -0.522 263 2HA GLY 33 1HA GLY 33 2.748 -12.467 -1.105 264 HN2 GLY 34 H GLY 34 3.551 -10.299 0.549 265 1HA GLY 34 2HA GLY 34 3.146 -10.204 3.166 266 2HA GLY 34 1HA GLY 34 3.900 -11.783 3.038 267 H CYS 35 H CYS 35 5.494 -10.513 0.677 268 HA CYS 35 HA CYS 35 7.529 -9.297 2.423 269 1HB CYS 35 2HB CYS 35 8.082 -10.514 -0.276 270 2HB CYS 35 1HB CYS 35 9.219 -10.171 1.022 271 HN2 GLY 36 H GLY 36 7.620 -7.165 2.252 272 1HA GLY 36 2HA GLY 36 8.414 -5.376 0.730 273 2HA GLY 36 1HA GLY 36 7.232 -5.974 -0.423 274 HN2 GLY 37 H GLY 37 6.751 -5.533 3.050 275 1HA GLY 37 2HA GLY 37 4.882 -3.337 2.418 276 2HA GLY 37 1HA GLY 37 4.427 -4.640 3.503 277 H ASN 38 H ASN 38 5.825 -1.579 3.254 278 HA ASN 38 HA ASN 38 6.882 -1.765 5.996 279 1HB ASN 38 2HB ASN 38 7.924 0.566 5.174 280 2HB ASN 38 1HB ASN 38 8.730 -0.977 4.913 281 1HD2 ASN 38 1HD2 ASN 38 9.777 -0.586 3.060 282 2HD2 ASN 38 2HD2 ASN 38 9.015 -0.159 1.569 283 HN2 GLY 39 H GLY 39 5.987 1.137 4.166 284 1HA GLY 39 2HA GLY 39 3.758 1.558 6.045 285 2HA GLY 39 1HA GLY 39 4.974 2.809 5.841 286 H ASN 40 H ASN 40 4.661 1.389 2.882 287 HA ASN 40 HA ASN 40 2.995 3.574 1.934 288 1HB ASN 40 2HB ASN 40 5.113 3.098 0.785 289 2HB ASN 40 1HB ASN 40 4.548 1.473 0.406 290 1HD2 ASN 40 1HD2 ASN 40 3.699 4.880 -0.020 291 2HD2 ASN 40 2HD2 ASN 40 3.008 4.692 -1.592 292 H LYS 41 H LYS 41 2.799 0.155 2.467 293 HA LYS 41 HA LYS 41 0.338 -0.031 0.894 294 1HB LYS 41 2HB LYS 41 0.526 -2.435 1.162 295 2HB LYS 41 1HB LYS 41 2.049 -1.780 0.577 296 1HG LYS 41 2HG LYS 41 2.925 -3.077 2.182 297 2HG LYS 41 1HG LYS 41 2.496 -1.727 3.233 298 1HD LYS 41 2HD LYS 41 0.195 -2.971 3.382 299 2HD LYS 41 1HD LYS 41 1.152 -4.369 2.887 300 1HE LYS 41 2HE LYS 41 1.544 -4.613 5.082 301 2HE LYS 41 1HE LYS 41 2.713 -3.313 4.850 302 1HZ LYS 41 1HZ LYS 41 0.483 -1.915 5.248 303 2HZ LYS 41 2HZ LYS 41 1.535 -2.364 6.494 304 3HZ LYS 41 3HZ LYS 41 0.142 -3.275 6.196 305 H PHE 42 H PHE 42 -1.517 -1.169 1.842 306 HA PHE 42 HA PHE 42 -1.731 -1.261 4.719 307 1HB PHE 42 2HB PHE 42 -3.017 0.899 3.092 308 2HB PHE 42 1HB PHE 42 -3.875 0.254 4.488 309 HD1 PHE 42 HD1 PHE 42 -2.821 0.403 6.746 310 HD2 PHE 42 HD2 PHE 42 -1.223 2.402 3.346 311 HE1 PHE 42 HE1 PHE 42 -1.527 1.881 8.228 312 HE2 PHE 42 HE2 PHE 42 0.074 3.882 4.821 313 HZ PHE 42 HZ PHE 42 -0.076 3.622 7.265 314 HA PRO 43 HA PRO 43 -4.674 -4.382 3.699 315 1HB PRO 43 2HB PRO 43 -6.251 -4.414 5.891 316 2HB PRO 43 1HB PRO 43 -4.578 -4.982 5.919 317 1HG PRO 43 2HG PRO 43 -5.699 -2.352 6.805 318 2HG PRO 43 1HG PRO 43 -4.493 -3.380 7.601 319 1HD PRO 43 2HD PRO 43 -3.834 -1.190 6.129 320 2HD PRO 43 1HD PRO 43 -2.778 -2.610 6.276 321 H THR 44 H THR 44 -5.858 -1.191 4.511 322 HA THR 44 HA THR 44 -8.234 -1.721 2.860 323 HB THR 44 HB THR 44 -9.401 -0.031 4.435 324 HG1 THR 44 HG1 THR 44 -7.309 -0.946 6.114 325 1HG2 THR 44 1HG2 THR 44 -10.319 -1.701 5.742 326 2HG2 THR 44 2HG2 THR 44 -8.816 -2.623 5.797 327 3HG2 THR 44 3HG2 THR 44 -9.765 -2.572 4.311 328 H GLN 45 H GLN 45 -8.945 -0.047 1.569 329 HA GLN 45 HA GLN 45 -7.001 1.804 0.695 330 1HB GLN 45 2HB GLN 45 -9.025 0.795 -0.573 331 2HB GLN 45 1HB GLN 45 -9.938 2.116 0.142 332 1HG GLN 45 2HG GLN 45 -8.428 3.727 -0.902 333 2HG GLN 45 1HG GLN 45 -7.516 2.401 -1.621 334 1HE2 GLN 45 1HE2 GLN 45 -8.362 4.144 -3.360 335 2HE2 GLN 45 2HE2 GLN 45 -9.744 3.592 -4.238 336 H GLU 46 H GLU 46 -9.481 1.963 3.110 337 HA GLU 46 HA GLU 46 -9.938 4.698 3.286 338 1HB GLU 46 2HB GLU 46 -10.592 4.295 5.599 339 2HB GLU 46 1HB GLU 46 -11.200 3.014 4.560 340 1HG GLU 46 2HG GLU 46 -9.053 1.755 5.265 341 2HG GLU 46 1HG GLU 46 -9.008 2.923 6.586 342 H ALA 47 H ALA 47 -7.266 2.762 4.486 343 HA ALA 47 HA ALA 47 -6.078 4.930 5.962 344 1HB ALA 47 1HB ALA 47 -5.188 2.148 5.267 345 2HB ALA 47 2HB ALA 47 -5.609 2.813 6.845 346 3HB ALA 47 3HB ALA 47 -4.109 3.299 6.055 347 H CYS 48 H CYS 48 -5.809 3.554 2.765 348 HA CYS 48 HA CYS 48 -3.356 4.544 1.936 349 1HB CYS 48 2HB CYS 48 -4.653 3.011 0.567 350 2HB CYS 48 1HB CYS 48 -5.913 4.220 0.351 351 H MET 49 H MET 49 -6.533 6.122 1.839 352 HA MET 49 HA MET 49 -5.403 8.587 0.839 353 1HB MET 49 2HB MET 49 -8.139 7.579 1.455 354 2HB MET 49 1HB MET 49 -7.889 9.318 1.433 355 1HG MET 49 2HG MET 49 -6.653 8.365 -0.881 356 2HG MET 49 1HG MET 49 -8.170 7.476 -0.754 357 1HE MET 49 1HE MET 49 -9.054 8.257 -2.814 358 2HE MET 49 2HE MET 49 -7.930 9.500 -3.363 359 3HE MET 49 3HE MET 49 -9.644 9.876 -3.187 360 H LYS 50 H LYS 50 -6.598 7.312 3.886 361 HA LYS 50 HA LYS 50 -6.672 9.728 5.321 362 1HB LYS 50 2HB LYS 50 -7.722 7.576 6.031 363 2HB LYS 50 1HB LYS 50 -6.117 6.969 6.419 364 1HG LYS 50 2HG LYS 50 -5.918 8.992 7.964 365 2HG LYS 50 1HG LYS 50 -7.662 9.159 7.760 366 1HD LYS 50 2HD LYS 50 -7.797 7.755 9.506 367 2HD LYS 50 1HD LYS 50 -7.414 6.499 8.325 368 1HE LYS 50 2HE LYS 50 -5.080 7.900 9.417 369 2HE LYS 50 1HE LYS 50 -6.004 6.985 10.607 370 1HZ LYS 50 1HZ LYS 50 -5.083 5.829 8.037 371 2HZ LYS 50 2HZ LYS 50 -5.707 5.005 9.376 372 3HZ LYS 50 3HZ LYS 50 -4.184 5.734 9.468 373 H ARG 51 H ARG 51 -3.998 7.970 4.150 374 HA ARG 51 HA ARG 51 -2.222 9.090 6.190 375 1HB ARG 51 2HB ARG 51 -2.271 6.615 4.937 376 2HB ARG 51 1HB ARG 51 -0.933 7.450 4.162 377 1HG ARG 51 2HG ARG 51 0.169 6.507 5.908 378 2HG ARG 51 1HG ARG 51 -0.307 8.032 6.659 379 1HD ARG 51 2HD ARG 51 -2.306 5.897 6.867 380 2HD ARG 51 1HD ARG 51 -0.788 5.556 7.696 381 HE ARG 51 HE ARG 51 -2.766 7.512 8.427 382 1HH1 ARG 51 1HH1 ARG 51 0.592 6.595 8.690 383 2HH1 ARG 51 2HH1 ARG 51 0.847 7.480 10.156 384 1HH2 ARG 51 1HH2 ARG 51 -2.430 8.676 10.354 385 2HH2 ARG 51 2HH2 ARG 51 -0.868 8.661 11.102 386 H CYS 52 H CYS 52 -2.529 8.938 2.633 387 HA CYS 52 HA CYS 52 -0.648 11.200 2.487 388 1HB CYS 52 2HB CYS 52 -1.199 8.889 0.705 389 2HB CYS 52 1HB CYS 52 -0.762 10.410 -0.066 390 H ALA 53 H ALA 53 -3.910 10.241 1.784 391 HA ALA 53 HA ALA 53 -4.380 12.517 0.048 392 1HB ALA 53 1HB ALA 53 -5.463 10.226 -0.218 393 2HB ALA 53 2HB ALA 53 -6.509 11.637 -0.359 394 3HB ALA 53 3HB ALA 53 -6.502 10.692 1.129 395 H LYS 54 H LYS 54 -4.608 11.772 3.401 396 HA LYS 54 HA LYS 54 -6.297 14.130 3.860 397 1HB LYS 54 2HB LYS 54 -5.940 11.565 5.258 398 2HB LYS 54 1HB LYS 54 -6.033 12.967 6.316 399 1HG LYS 54 2HG LYS 54 -8.095 13.320 4.479 400 2HG LYS 54 1HG LYS 54 -8.125 11.601 4.879 401 1HD LYS 54 2HD LYS 54 -8.820 11.980 6.986 402 2HD LYS 54 1HD LYS 54 -7.770 13.385 7.183 403 1HE LYS 54 2HE LYS 54 -9.654 14.586 7.098 404 2HE LYS 54 1HE LYS 54 -9.611 14.278 5.363 405 1HZ LYS 54 1HZ LYS 54 -11.172 12.592 5.544 406 2HZ LYS 54 2HZ LYS 54 -11.745 13.744 6.642 407 3HZ LYS 54 3HZ LYS 54 -10.920 12.379 7.203 408 H ALA 55 H ALA 55 -3.262 12.600 4.841 409 HA ALA 55 HA ALA 55 -2.413 14.527 6.681 410 1HB ALA 55 1HB ALA 55 -0.260 13.562 6.513 411 2HB ALA 55 2HB ALA 55 -0.572 12.970 4.882 412 3HB ALA 55 3HB ALA 55 -1.407 12.247 6.257 Start of MODEL 20 1 1H ILE 1 1H ILE 1 7.688 14.197 5.013 2 2H ILE 1 2H ILE 1 7.230 14.151 3.359 3 3H ILE 1 3H ILE 1 8.845 13.787 3.815 4 HA ILE 1 HA ILE 1 7.924 11.935 5.145 5 HB ILE 1 HB ILE 1 5.537 13.038 4.757 6 1HG1 ILE 1 2HG1 ILE 1 6.162 11.067 6.182 7 2HG1 ILE 1 1HG1 ILE 1 4.543 10.994 5.493 8 1HG2 ILE 1 1HG2 ILE 1 4.229 11.934 3.064 9 2HG2 ILE 1 2HG2 ILE 1 5.628 10.992 2.549 10 3HG2 ILE 1 3HG2 ILE 1 5.606 12.739 2.309 11 1HD1 ILE 1 1HD1 ILE 1 6.537 9.052 5.369 12 2HD1 ILE 1 2HD1 ILE 1 6.430 9.726 3.742 13 3HD1 ILE 1 3HD1 ILE 1 4.991 9.063 4.520 14 H ASP 2 H ASP 2 8.928 10.219 4.317 15 HA ASP 2 HA ASP 2 9.410 10.152 1.430 16 1HB ASP 2 2HB ASP 2 11.337 10.046 3.019 17 2HB ASP 2 1HB ASP 2 10.722 8.500 3.595 18 H THR 3 H THR 3 7.899 8.327 3.995 19 HA THR 3 HA THR 3 7.628 5.829 2.885 20 HB THR 3 HB THR 3 5.302 7.115 4.277 21 HG1 THR 3 HG1 THR 3 6.414 6.781 6.236 22 1HG2 THR 3 1HG2 THR 3 5.973 4.745 5.525 23 2HG2 THR 3 2HG2 THR 3 6.212 4.416 3.808 24 3HG2 THR 3 3HG2 THR 3 4.652 5.004 4.385 25 H CYS 4 H CYS 4 5.558 8.660 2.314 26 HA CYS 4 HA CYS 4 3.808 7.296 0.525 27 1HB CYS 4 2HB CYS 4 4.144 10.045 1.523 28 2HB CYS 4 1HB CYS 4 3.479 9.932 -0.102 29 H ARG 5 H ARG 5 6.978 8.286 0.147 30 HA ARG 5 HA ARG 5 6.672 8.793 -2.723 31 1HB ARG 5 2HB ARG 5 9.060 9.172 -0.910 32 2HB ARG 5 1HB ARG 5 9.032 9.536 -2.630 33 1HG ARG 5 2HG ARG 5 7.195 11.162 -2.181 34 2HG ARG 5 1HG ARG 5 7.445 10.879 -0.458 35 1HD ARG 5 2HD ARG 5 9.922 11.461 -1.861 36 2HD ARG 5 1HD ARG 5 8.739 12.759 -2.019 37 HE ARG 5 HE ARG 5 8.940 11.894 0.674 38 1HH1 ARG 5 1HH1 ARG 5 10.599 13.783 -1.746 39 2HH1 ARG 5 2HH1 ARG 5 11.397 14.793 -0.589 40 1HH2 ARG 5 1HH2 ARG 5 9.991 13.220 2.198 41 2HH2 ARG 5 2HH2 ARG 5 11.053 14.474 1.651 42 H LEU 6 H LEU 6 7.779 6.422 -0.462 43 HA LEU 6 HA LEU 6 9.324 4.994 -2.469 44 1HB LEU 6 2HB LEU 6 10.013 3.537 -0.734 45 2HB LEU 6 1HB LEU 6 10.051 5.160 -0.073 46 HG LEU 6 HG LEU 6 7.625 4.505 0.767 47 1HD1 LEU 6 1HD1 LEU 6 8.733 1.848 1.257 48 2HD1 LEU 6 2HD1 LEU 6 8.311 2.145 -0.429 49 3HD1 LEU 6 3HD1 LEU 6 7.093 2.335 0.831 50 1HD2 LEU 6 1HD2 LEU 6 10.091 3.447 2.137 51 2HD2 LEU 6 2HD2 LEU 6 8.581 3.962 2.889 52 3HD2 LEU 6 3HD2 LEU 6 9.628 5.150 2.113 53 HA PRO 7 HA PRO 7 5.756 2.604 -3.675 54 1HB PRO 7 2HB PRO 7 7.015 0.832 -5.281 55 2HB PRO 7 1HB PRO 7 6.732 2.510 -5.761 56 1HG PRO 7 2HG PRO 7 9.217 1.243 -4.675 57 2HG PRO 7 1HG PRO 7 9.042 2.401 -6.006 58 1HD PRO 7 2HD PRO 7 9.818 3.130 -3.506 59 2HD PRO 7 1HD PRO 7 8.909 4.205 -4.587 60 H SER 8 H SER 8 4.742 0.940 -2.728 61 HA SER 8 HA SER 8 6.264 -0.798 -0.965 62 1HB SER 8 2HB SER 8 3.641 0.303 -0.943 63 2HB SER 8 1HB SER 8 3.480 -1.452 -0.970 64 HG SER 8 HG SER 8 4.202 -1.530 1.001 65 H ASP 9 H ASP 9 6.761 -2.852 -1.371 66 HA ASP 9 HA ASP 9 5.898 -4.020 -3.896 67 1HB ASP 9 2HB ASP 9 8.112 -4.521 -1.967 68 2HB ASP 9 1HB ASP 9 7.549 -5.884 -2.929 69 H ARG 10 H ARG 10 4.664 -5.851 -4.088 70 HA ARG 10 HA ARG 10 3.176 -6.613 -1.711 71 1HB ARG 10 2HB ARG 10 1.727 -7.825 -3.315 72 2HB ARG 10 1HB ARG 10 1.878 -6.115 -3.670 73 1HG ARG 10 2HG ARG 10 3.457 -6.594 -5.442 74 2HG ARG 10 1HG ARG 10 3.396 -8.315 -5.055 75 1HD ARG 10 2HD ARG 10 0.750 -7.233 -5.458 76 2HD ARG 10 1HD ARG 10 1.781 -6.935 -6.858 77 HE ARG 10 HE ARG 10 1.839 -9.636 -5.836 78 1HH1 ARG 10 1HH1 ARG 10 0.351 -7.416 -8.087 79 2HH1 ARG 10 2HH1 ARG 10 -0.200 -8.667 -9.147 80 1HH2 ARG 10 1HH2 ARG 10 1.114 -11.280 -7.236 81 2HH2 ARG 10 2HH2 ARG 10 0.231 -10.859 -8.665 82 HN2 GLY 11 H GLY 11 5.905 -7.709 -3.324 83 1HA GLY 11 2HA GLY 11 7.141 -9.631 -3.187 84 2HA GLY 11 1HA GLY 11 6.279 -9.926 -1.687 85 H ARG 12 H ARG 12 7.164 -11.904 -3.517 86 HA ARG 12 HA ARG 12 4.613 -12.926 -4.573 87 1HB ARG 12 2HB ARG 12 7.130 -12.711 -5.791 88 2HB ARG 12 1HB ARG 12 6.934 -14.422 -5.438 89 1HG ARG 12 2HG ARG 12 4.678 -14.268 -6.562 90 2HG ARG 12 1HG ARG 12 5.168 -12.665 -7.115 91 1HD ARG 12 2HD ARG 12 6.585 -15.266 -7.688 92 2HD ARG 12 1HD ARG 12 5.606 -14.340 -8.825 93 HE ARG 12 HE ARG 12 8.321 -13.815 -8.045 94 1HH1 ARG 12 1HH1 ARG 12 5.388 -12.407 -9.307 95 2HH1 ARG 12 2HH1 ARG 12 6.204 -11.091 -10.082 96 1HH2 ARG 12 1HH2 ARG 12 9.397 -12.085 -9.064 97 2HH2 ARG 12 2HH2 ARG 12 8.480 -10.908 -9.944 98 H CYS 13 H CYS 13 6.791 -13.267 -2.056 99 HA CYS 13 HA CYS 13 7.177 -15.899 -1.552 100 1HB CYS 13 2HB CYS 13 6.614 -15.177 0.953 101 2HB CYS 13 1HB CYS 13 8.078 -14.654 0.133 102 H LYS 14 H LYS 14 4.516 -14.423 0.275 103 HA LYS 14 HA LYS 14 2.954 -16.862 -0.239 104 1HB LYS 14 2HB LYS 14 3.122 -15.025 2.132 105 2HB LYS 14 1HB LYS 14 1.704 -16.035 1.884 106 1HG LYS 14 2HG LYS 14 2.823 -17.557 3.068 107 2HG LYS 14 1HG LYS 14 3.726 -17.836 1.577 108 1HD LYS 14 2HD LYS 14 5.110 -15.756 2.562 109 2HD LYS 14 1HD LYS 14 4.544 -16.475 4.071 110 1HE LYS 14 2HE LYS 14 5.376 -18.696 2.898 111 2HE LYS 14 1HE LYS 14 6.401 -17.563 2.019 112 1HZ LYS 14 1HZ LYS 14 6.301 -17.256 4.913 113 2HZ LYS 14 2HZ LYS 14 7.607 -17.089 3.852 114 3HZ LYS 14 3HZ LYS 14 7.098 -18.630 4.330 115 H ALA 15 H ALA 15 2.787 -15.088 -2.238 116 HA ALA 15 HA ALA 15 0.920 -13.027 -2.042 117 1HB ALA 15 1HB ALA 15 2.155 -14.571 -4.195 118 2HB ALA 15 2HB ALA 15 1.829 -12.842 -4.080 119 3HB ALA 15 3HB ALA 15 0.553 -13.948 -4.591 120 H SER 16 H SER 16 -0.942 -13.436 -0.958 121 HA SER 16 HA SER 16 -2.955 -14.978 -2.321 122 1HB SER 16 2HB SER 16 -3.478 -16.213 -0.080 123 2HB SER 16 1HB SER 16 -2.219 -16.847 -1.139 124 HG SER 16 HG SER 16 -2.016 -15.938 1.388 125 H PHE 17 H PHE 17 -2.441 -12.211 -1.454 126 HA PHE 17 HA PHE 17 -5.045 -11.703 -0.305 127 1HB PHE 17 2HB PHE 17 -2.554 -10.741 1.116 128 2HB PHE 17 1HB PHE 17 -4.211 -10.339 1.550 129 HD1 PHE 17 HD2 PHE 17 -5.723 -12.132 2.395 130 HD2 PHE 17 HD1 PHE 17 -1.550 -12.748 1.830 131 HE1 PHE 17 HE2 PHE 17 -5.821 -14.114 3.852 132 HE2 PHE 17 HE1 PHE 17 -1.641 -14.729 3.285 133 HZ PHE 17 HZ PHE 17 -3.779 -15.414 4.299 134 H GLU 18 H GLU 18 -5.578 -9.384 -0.314 135 HA GLU 18 HA GLU 18 -4.045 -7.951 -2.384 136 1HB GLU 18 2HB GLU 18 -6.996 -8.145 -1.871 137 2HB GLU 18 1HB GLU 18 -6.331 -6.749 -2.709 138 1HG GLU 18 2HG GLU 18 -6.041 -7.880 -4.604 139 2HG GLU 18 1HG GLU 18 -5.377 -9.285 -3.772 140 H ARG 19 H ARG 19 -3.401 -5.894 -1.981 141 HA ARG 19 HA ARG 19 -4.421 -4.569 0.429 142 1HB ARG 19 2HB ARG 19 -1.695 -5.542 -0.040 143 2HB ARG 19 1HB ARG 19 -1.767 -3.856 0.450 144 1HG ARG 19 2HG ARG 19 -1.496 -5.279 2.379 145 2HG ARG 19 1HG ARG 19 -3.075 -4.496 2.423 146 1HD ARG 19 2HD ARG 19 -4.185 -6.443 2.226 147 2HD ARG 19 1HD ARG 19 -3.022 -7.105 1.078 148 HE ARG 19 HE ARG 19 -1.646 -7.163 3.383 149 1HH1 ARG 19 1HH1 ARG 19 -4.852 -8.268 2.551 150 2HH1 ARG 19 2HH1 ARG 19 -4.847 -9.550 3.715 151 1HH2 ARG 19 1HH2 ARG 19 -1.639 -8.850 4.912 152 2HH2 ARG 19 2HH2 ARG 19 -3.024 -9.881 5.055 153 H TRP 20 H TRP 20 -3.640 -2.255 0.543 154 HA TRP 20 HA TRP 20 -3.706 -1.092 -2.161 155 1HB TRP 20 2HB TRP 20 -4.668 0.060 0.466 156 2HB TRP 20 1HB TRP 20 -4.676 0.922 -1.068 157 HD1 TRP 20 HD1 TRP 20 -6.496 -1.854 0.818 158 HE1 TRP 20 HE1 TRP 20 -8.699 -2.377 -0.398 159 HE3 TRP 20 HE3 TRP 20 -5.798 0.979 -3.382 160 HZ2 TRP 20 HZ2 TRP 20 -9.972 -1.685 -2.811 161 HZ3 TRP 20 HZ3 TRP 20 -7.562 0.992 -5.097 162 HH2 TRP 20 HH2 TRP 20 -9.607 -0.313 -4.817 163 H TYR 21 H TYR 21 -2.376 0.661 -2.651 164 HA TYR 21 HA TYR 21 -0.350 1.457 -0.702 165 1HB TYR 21 2HB TYR 21 1.363 1.170 -2.664 166 2HB TYR 21 1HB TYR 21 0.926 -0.229 -1.686 167 HD1 TYR 21 HD1 TYR 21 -1.185 -1.556 -2.605 168 HD2 TYR 21 HD2 TYR 21 1.345 0.915 -4.966 169 HE1 TYR 21 HE1 TYR 21 -1.935 -2.728 -4.618 170 HE2 TYR 21 HE2 TYR 21 0.599 -0.255 -6.997 171 HH TYR 21 HH TYR 21 -1.157 -1.592 -7.807 172 H PHE 22 H PHE 22 -0.186 3.603 -0.740 173 HA PHE 22 HA PHE 22 -1.399 5.102 -2.883 174 1HB PHE 22 2HB PHE 22 -0.392 7.072 -1.446 175 2HB PHE 22 1HB PHE 22 -1.817 6.195 -0.908 176 HD1 PHE 22 HD1 PHE 22 1.843 6.491 -0.460 177 HD2 PHE 22 HD2 PHE 22 -1.823 5.014 1.113 178 HE1 PHE 22 HE1 PHE 22 2.970 5.962 1.663 179 HE2 PHE 22 HE2 PHE 22 -0.704 4.484 3.238 180 HZ PHE 22 HZ PHE 22 1.695 4.961 3.515 181 H ASN 23 H ASN 23 -0.394 5.516 -4.707 182 HA ASN 23 HA ASN 23 2.516 5.575 -4.807 183 1HB ASN 23 2HB ASN 23 0.815 4.433 -6.501 184 2HB ASN 23 1HB ASN 23 0.841 6.035 -7.233 185 1HD2 ASN 23 1HD2 ASN 23 2.188 6.127 -8.863 186 2HD2 ASN 23 2HD2 ASN 23 3.724 5.344 -8.970 187 HN2 GLY 24 H GLY 24 2.630 7.590 -3.578 188 1HA GLY 24 2HA GLY 24 3.243 9.818 -3.636 189 2HA GLY 24 1HA GLY 24 2.837 9.845 -5.345 190 H ARG 25 H ARG 25 0.339 9.567 -5.694 191 HA ARG 25 HA ARG 25 -1.115 11.149 -3.694 192 1HB ARG 25 2HB ARG 25 -2.205 12.343 -5.691 193 2HB ARG 25 1HB ARG 25 -0.581 12.833 -5.227 194 1HG ARG 25 2HG ARG 25 -0.738 10.703 -7.252 195 2HG ARG 25 1HG ARG 25 -1.326 12.290 -7.752 196 1HD ARG 25 2HD ARG 25 0.998 12.922 -6.462 197 2HD ARG 25 1HD ARG 25 1.401 11.373 -7.203 198 HE ARG 25 HE ARG 25 1.524 12.465 -9.191 199 1HH1 ARG 25 1HH1 ARG 25 -0.629 14.261 -7.115 200 2HH1 ARG 25 2HH1 ARG 25 -0.890 15.526 -8.269 201 1HH2 ARG 25 1HH2 ARG 25 1.184 14.126 -10.711 202 2HH2 ARG 25 2HH2 ARG 25 0.139 15.449 -10.311 203 H THR 26 H THR 26 -1.244 8.952 -6.448 204 HA THR 26 HA THR 26 -4.075 8.428 -5.921 205 HB THR 26 HB THR 26 -2.355 7.331 -8.149 206 HG1 THR 26 HG1 THR 26 -2.741 9.093 -9.238 207 1HG2 THR 26 1HG2 THR 26 -5.343 7.562 -7.897 208 2HG2 THR 26 2HG2 THR 26 -4.402 6.072 -7.825 209 3HG2 THR 26 3HG2 THR 26 -4.464 7.004 -9.321 210 H CYS 27 H CYS 27 -4.870 6.343 -5.517 211 HA CYS 27 HA CYS 27 -2.986 4.637 -4.098 212 1HB CYS 27 2HB CYS 27 -5.400 5.382 -3.341 213 2HB CYS 27 1HB CYS 27 -5.903 4.010 -4.322 214 H ALA 28 H ALA 28 -3.376 2.205 -4.334 215 HA ALA 28 HA ALA 28 -4.128 1.356 -7.001 216 1HB ALA 28 1HB ALA 28 -1.304 1.318 -6.015 217 2HB ALA 28 2HB ALA 28 -1.937 1.882 -7.561 218 3HB ALA 28 3HB ALA 28 -1.870 0.155 -7.215 219 H LYS 29 H LYS 29 -3.564 -1.153 -7.173 220 HA LYS 29 HA LYS 29 -3.901 -2.483 -4.601 221 1HB LYS 29 2HB LYS 29 -6.153 -1.821 -5.936 222 2HB LYS 29 1HB LYS 29 -5.809 -3.377 -6.680 223 1HG LYS 29 2HG LYS 29 -5.490 -3.996 -4.070 224 2HG LYS 29 1HG LYS 29 -6.722 -2.738 -3.964 225 1HD LYS 29 2HD LYS 29 -7.245 -4.638 -6.104 226 2HD LYS 29 1HD LYS 29 -7.154 -5.411 -4.521 227 1HE LYS 29 2HE LYS 29 -8.722 -2.906 -4.714 228 2HE LYS 29 1HE LYS 29 -9.403 -4.339 -5.483 229 1HZ LYS 29 1HZ LYS 29 -8.510 -4.219 -2.653 230 2HZ LYS 29 2HZ LYS 29 -9.305 -5.507 -3.409 231 3HZ LYS 29 3HZ LYS 29 -10.115 -4.044 -3.159 232 H PHE 30 H PHE 30 -3.167 -4.562 -4.555 233 HA PHE 30 HA PHE 30 -2.634 -6.053 -6.935 234 1HB PHE 30 2HB PHE 30 -0.184 -6.168 -6.657 235 2HB PHE 30 1HB PHE 30 -0.744 -4.562 -7.078 236 HD1 PHE 30 HD2 PHE 30 -1.535 -5.071 -3.697 237 HD2 PHE 30 HD1 PHE 30 1.755 -4.275 -6.277 238 HE1 PHE 30 HE2 PHE 30 -0.284 -4.133 -1.805 239 HE2 PHE 30 HE1 PHE 30 3.011 -3.333 -4.387 240 HZ PHE 30 HZ PHE 30 1.992 -3.260 -2.147 241 H ILE 31 H ILE 31 -1.161 -8.074 -6.281 242 HA ILE 31 HA ILE 31 -2.534 -9.214 -3.987 243 HB ILE 31 HB ILE 31 -0.654 -10.531 -5.945 244 1HG1 ILE 31 2HG1 ILE 31 -2.670 -9.628 -7.034 245 2HG1 ILE 31 1HG1 ILE 31 -2.668 -11.389 -7.033 246 1HG2 ILE 31 1HG2 ILE 31 -2.216 -12.515 -5.015 247 2HG2 ILE 31 2HG2 ILE 31 -2.142 -11.484 -3.586 248 3HG2 ILE 31 3HG2 ILE 31 -0.654 -12.091 -4.313 249 1HD1 ILE 31 1HD1 ILE 31 -3.997 -10.507 -4.689 250 2HD1 ILE 31 2HD1 ILE 31 -4.652 -11.390 -6.069 251 3HD1 ILE 31 3HD1 ILE 31 -4.652 -9.626 -6.070 252 H TYR 32 H TYR 32 -1.632 -8.654 -2.105 253 HA TYR 32 HA TYR 32 1.257 -8.591 -1.779 254 1HB TYR 32 2HB TYR 32 -0.043 -6.793 -0.778 255 2HB TYR 32 1HB TYR 32 -0.999 -7.956 0.133 256 HD1 TYR 32 HD1 TYR 32 -0.028 -9.125 2.059 257 HD2 TYR 32 HD2 TYR 32 2.173 -6.169 -0.068 258 HE1 TYR 32 HE1 TYR 32 1.563 -8.972 3.928 259 HE2 TYR 32 HE2 TYR 32 3.771 -6.010 1.795 260 HH TYR 32 HH TYR 32 3.356 -6.728 4.641 261 HN2 GLY 33 H GLY 33 2.437 -10.151 -0.892 262 1HA GLY 33 2HA GLY 33 1.005 -12.456 0.260 263 2HA GLY 33 1HA GLY 33 2.572 -12.540 -0.530 264 HN2 GLY 34 H GLY 34 3.621 -10.172 0.834 265 1HA GLY 34 2HA GLY 34 3.576 -9.913 3.468 266 2HA GLY 34 1HA GLY 34 4.302 -11.505 3.343 267 H CYS 35 H CYS 35 5.541 -10.315 0.699 268 HA CYS 35 HA CYS 35 7.846 -9.145 2.100 269 1HB CYS 35 2HB CYS 35 7.820 -10.392 -0.652 270 2HB CYS 35 1HB CYS 35 9.230 -9.934 0.296 271 HN2 GLY 36 H GLY 36 7.965 -7.013 1.973 272 1HA GLY 36 2HA GLY 36 8.526 -5.160 0.465 273 2HA GLY 36 1HA GLY 36 7.243 -5.730 -0.588 274 HN2 GLY 37 H GLY 37 6.636 -5.784 2.810 275 1HA GLY 37 2HA GLY 37 4.824 -3.485 2.457 276 2HA GLY 37 1HA GLY 37 4.564 -4.804 3.589 277 H ASN 38 H ASN 38 5.838 -1.692 3.147 278 HA ASN 38 HA ASN 38 7.149 -1.808 5.781 279 1HB ASN 38 2HB ASN 38 8.136 0.484 4.804 280 2HB ASN 38 1HB ASN 38 8.898 -1.075 4.514 281 1HD2 ASN 38 1HD2 ASN 38 9.757 -0.815 2.554 282 2HD2 ASN 38 2HD2 ASN 38 8.873 -0.390 1.131 283 HN2 GLY 39 H GLY 39 6.128 1.056 3.957 284 1HA GLY 39 2HA GLY 39 4.056 1.547 5.987 285 2HA GLY 39 1HA GLY 39 5.287 2.765 5.702 286 H ASN 40 H ASN 40 4.734 1.362 2.765 287 HA ASN 40 HA ASN 40 3.007 3.574 1.977 288 1HB ASN 40 2HB ASN 40 5.067 3.213 0.700 289 2HB ASN 40 1HB ASN 40 4.542 1.582 0.296 290 1HD2 ASN 40 1HD2 ASN 40 4.126 4.962 -0.312 291 2HD2 ASN 40 2HD2 ASN 40 3.139 4.800 -1.720 292 H LYS 41 H LYS 41 2.910 0.144 2.413 293 HA LYS 41 HA LYS 41 0.506 -0.190 0.823 294 1HB LYS 41 2HB LYS 41 0.635 -2.538 1.500 295 2HB LYS 41 1HB LYS 41 2.173 -1.980 0.860 296 1HG LYS 41 2HG LYS 41 3.245 -2.307 2.800 297 2HG LYS 41 1HG LYS 41 1.893 -1.712 3.765 298 1HD LYS 41 2HD LYS 41 0.875 -4.041 2.796 299 2HD LYS 41 1HD LYS 41 2.584 -4.452 2.961 300 1HE LYS 41 2HE LYS 41 1.326 -4.991 4.990 301 2HE LYS 41 1HE LYS 41 2.547 -3.756 5.290 302 1HZ LYS 41 1HZ LYS 41 0.954 -2.112 5.494 303 2HZ LYS 41 2HZ LYS 41 0.200 -3.431 6.238 304 3HZ LYS 41 3HZ LYS 41 -0.229 -2.990 4.663 305 H PHE 42 H PHE 42 -1.400 -1.293 1.815 306 HA PHE 42 HA PHE 42 -1.861 -1.032 4.619 307 1HB PHE 42 2HB PHE 42 -2.620 1.171 2.830 308 2HB PHE 42 1HB PHE 42 -3.935 0.588 3.846 309 HD1 PHE 42 HD2 PHE 42 -3.561 0.490 6.347 310 HD2 PHE 42 HD1 PHE 42 -0.962 2.565 3.694 311 HE1 PHE 42 HE2 PHE 42 -2.679 1.792 8.237 312 HE2 PHE 42 HE1 PHE 42 -0.073 3.871 5.580 313 HZ PHE 42 HZ PHE 42 -0.932 3.486 7.855 314 HA PRO 43 HA PRO 43 -4.683 -4.277 3.582 315 1HB PRO 43 2HB PRO 43 -6.231 -3.387 5.949 316 2HB PRO 43 1HB PRO 43 -5.533 -4.969 5.589 317 1HG PRO 43 2HG PRO 43 -4.437 -3.371 7.423 318 2HG PRO 43 1HG PRO 43 -3.430 -4.362 6.349 319 1HD PRO 43 2HD PRO 43 -4.036 -1.434 6.217 320 2HD PRO 43 1HD PRO 43 -2.512 -2.288 5.896 321 H THR 44 H THR 44 -6.209 -1.253 4.722 322 HA THR 44 HA THR 44 -8.339 -1.700 2.737 323 HB THR 44 HB THR 44 -9.577 0.020 4.240 324 HG1 THR 44 HG1 THR 44 -7.664 -0.974 6.080 325 1HG2 THR 44 1HG2 THR 44 -9.199 -2.489 5.757 326 2HG2 THR 44 2HG2 THR 44 -9.809 -2.614 4.106 327 3HG2 THR 44 3HG2 THR 44 -10.679 -1.647 5.298 328 H GLN 45 H GLN 45 -9.050 -0.001 1.455 329 HA GLN 45 HA GLN 45 -7.078 1.810 0.575 330 1HB GLN 45 2HB GLN 45 -8.912 0.945 -0.848 331 2HB GLN 45 1HB GLN 45 -10.061 1.896 0.083 332 1HG GLN 45 2HG GLN 45 -8.395 3.849 -0.621 333 2HG GLN 45 1HG GLN 45 -8.108 2.745 -1.965 334 1HE2 GLN 45 1HE2 GLN 45 -10.010 2.007 -3.154 335 2HE2 GLN 45 2HE2 GLN 45 -11.348 3.085 -3.335 336 H GLU 46 H GLU 46 -9.562 2.038 2.989 337 HA GLU 46 HA GLU 46 -9.911 4.792 3.168 338 1HB GLU 46 2HB GLU 46 -11.189 3.012 4.419 339 2HB GLU 46 1HB GLU 46 -9.821 2.897 5.518 340 1HG GLU 46 2HG GLU 46 -10.158 5.069 6.338 341 2HG GLU 46 1HG GLU 46 -11.243 5.488 5.013 342 H ALA 47 H ALA 47 -7.432 2.718 4.597 343 HA ALA 47 HA ALA 47 -6.150 4.810 6.052 344 1HB ALA 47 1HB ALA 47 -5.071 2.123 5.209 345 2HB ALA 47 2HB ALA 47 -5.946 2.460 6.703 346 3HB ALA 47 3HB ALA 47 -4.366 3.192 6.421 347 H CYS 48 H CYS 48 -5.966 3.605 2.806 348 HA CYS 48 HA CYS 48 -3.413 4.648 2.139 349 1HB CYS 48 2HB CYS 48 -4.318 2.899 0.785 350 2HB CYS 48 1HB CYS 48 -5.786 3.814 0.469 351 H MET 49 H MET 49 -6.623 6.018 2.225 352 HA MET 49 HA MET 49 -5.801 8.379 0.743 353 1HB MET 49 2HB MET 49 -8.350 7.212 1.644 354 2HB MET 49 1HB MET 49 -8.290 8.969 1.681 355 1HG MET 49 2HG MET 49 -9.196 8.107 -0.420 356 2HG MET 49 1HG MET 49 -7.721 9.043 -0.660 357 1HE MET 49 1HE MET 49 -9.137 7.467 -2.577 358 2HE MET 49 2HE MET 49 -9.058 5.707 -2.488 359 3HE MET 49 3HE MET 49 -7.884 6.595 -3.461 360 H LYS 50 H LYS 50 -6.955 7.632 4.030 361 HA LYS 50 HA LYS 50 -6.660 10.276 4.994 362 1HB LYS 50 2HB LYS 50 -7.022 9.350 7.189 363 2HB LYS 50 1HB LYS 50 -8.103 8.561 6.048 364 1HG LYS 50 2HG LYS 50 -6.575 6.645 5.949 365 2HG LYS 50 1HG LYS 50 -5.533 7.431 7.135 366 1HD LYS 50 2HD LYS 50 -8.438 6.855 7.665 367 2HD LYS 50 1HD LYS 50 -7.161 5.690 8.019 368 1HE LYS 50 2HE LYS 50 -6.053 7.528 9.367 369 2HE LYS 50 1HE LYS 50 -7.560 8.428 9.198 370 1HZ LYS 50 1HZ LYS 50 -8.598 6.258 10.118 371 2HZ LYS 50 2HZ LYS 50 -7.861 7.345 11.184 372 3HZ LYS 50 3HZ LYS 50 -7.037 5.952 10.695 373 H ARG 51 H ARG 51 -4.294 8.036 4.157 374 HA ARG 51 HA ARG 51 -2.389 9.100 6.117 375 1HB ARG 51 2HB ARG 51 -2.663 6.594 5.746 376 2HB ARG 51 1HB ARG 51 -1.886 6.842 4.189 377 1HG ARG 51 2HG ARG 51 0.061 6.577 5.209 378 2HG ARG 51 1HG ARG 51 -0.225 8.116 6.023 379 1HD ARG 51 2HD ARG 51 -0.755 5.334 7.015 380 2HD ARG 51 1HD ARG 51 0.219 6.602 7.755 381 HE ARG 51 HE ARG 51 -2.384 7.550 7.634 382 1HH1 ARG 51 1HH1 ARG 51 -0.653 4.943 9.180 383 2HH1 ARG 51 2HH1 ARG 51 -1.725 4.872 10.539 384 1HH2 ARG 51 1HH2 ARG 51 -3.794 7.458 9.420 385 2HH2 ARG 51 2HH2 ARG 51 -3.508 6.300 10.676 386 H CYS 52 H CYS 52 -2.707 8.547 2.608 387 HA CYS 52 HA CYS 52 -0.451 10.373 2.182 388 1HB CYS 52 2HB CYS 52 -0.929 7.955 1.057 389 2HB CYS 52 1HB CYS 52 -1.653 9.015 -0.147 390 H ALA 53 H ALA 53 -3.882 10.061 1.642 391 HA ALA 53 HA ALA 53 -3.972 12.339 -0.150 392 1HB ALA 53 1HB ALA 53 -6.462 11.247 1.031 393 2HB ALA 53 2HB ALA 53 -5.532 10.190 -0.033 394 3HB ALA 53 3HB ALA 53 -6.113 11.747 -0.625 395 H LYS 54 H LYS 54 -4.386 11.671 3.235 396 HA LYS 54 HA LYS 54 -5.543 14.312 3.712 397 1HB LYS 54 2HB LYS 54 -5.381 11.776 5.226 398 2HB LYS 54 1HB LYS 54 -5.282 13.245 6.186 399 1HG LYS 54 2HG LYS 54 -7.393 13.794 4.555 400 2HG LYS 54 1HG LYS 54 -7.559 12.055 4.794 401 1HD LYS 54 2HD LYS 54 -8.109 12.279 6.968 402 2HD LYS 54 1HD LYS 54 -6.952 13.587 7.228 403 1HE LYS 54 2HE LYS 54 -9.292 14.214 5.535 404 2HE LYS 54 1HE LYS 54 -9.615 13.938 7.246 405 1HZ LYS 54 1HZ LYS 54 -9.154 16.145 7.289 406 2HZ LYS 54 2HZ LYS 54 -8.107 16.087 5.962 407 3HZ LYS 54 3HZ LYS 54 -7.576 15.563 7.480 408 H ALA 55 H ALA 55 -2.868 12.352 5.032 409 HA ALA 55 HA ALA 55 -1.555 14.758 5.997 410 1HB ALA 55 1HB ALA 55 -0.844 11.840 6.247 411 2HB ALA 55 2HB ALA 55 -1.552 12.878 7.485 412 3HB ALA 55 3HB ALA 55 0.102 13.158 6.940
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