NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
9961 | 1p23 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H CYS 1 HT1 CYS 1 3.756 2.856 2.856 2 2H CYS 1 HT3 CYS 1 2.930 4.337 4.337 3 3H CYS 1 HT2 CYS 1 4.620 4.309 4.309 4 HA CYS 1 HA CYS 1 4.134 4.953 4.953 5 1HB CYS 1 HB2 CYS 1 2.134 2.843 2.843 6 2HB CYS 1 HB1 CYS 1 2.852 2.790 2.790 7 H TYR 2 HN TYR 2 5.735 2.793 2.793 8 HA TYR 2 HA TYR 2 7.061 1.591 1.591 9 1HB TYR 2 HB2 TYR 2 7.341 -0.356 -0.356 10 2HB TYR 2 HB1 TYR 2 5.845 0.245 0.245 11 HD1 TYR 2 HD1 TYR 2 9.541 0.351 0.351 12 HD2 TYR 2 HD2 TYR 2 5.744 0.777 0.777 13 HE1 TYR 2 HE1 TYR 2 10.690 0.572 0.572 14 HE2 TYR 2 HE2 TYR 2 6.874 0.993 0.993 15 HH TYR 2 HH TYR 2 10.260 1.480 1.480 16 H LEU 3 HN LEU 3 7.403 3.455 3.455 17 HA LEU 3 HA LEU 3 10.118 3.482 3.482 18 1HB LEU 3 HB2 LEU 3 7.917 5.434 5.434 19 2HB LEU 3 HB1 LEU 3 9.528 6.115 6.115 20 HG LEU 3 HG LEU 3 9.939 4.624 4.624 21 1HD1 LEU 3 HD12 LEU 3 8.318 2.861 2.861 22 2HD1 LEU 3 HD11 LEU 3 7.042 3.829 3.829 23 3HD1 LEU 3 HD13 LEU 3 8.306 3.125 3.125 24 1HD2 LEU 3 HD21 LEU 3 7.501 6.379 6.379 25 2HD2 LEU 3 HD23 LEU 3 9.112 6.720 6.720 26 3HD2 LEU 3 HD22 LEU 3 8.067 5.566 5.566 27 H ARG 4 HN ARG 4 8.468 5.543 5.543 28 HA ARG 4 HA ARG 4 10.506 6.806 6.806 29 1HB ARG 4 HB2 ARG 4 8.354 5.280 5.280 30 2HB ARG 4 HB1 ARG 4 8.997 6.878 6.878 31 1HG ARG 4 HG2 ARG 4 7.119 7.624 7.624 32 2HG ARG 4 HG1 ARG 4 8.003 7.262 7.262 33 1HD ARG 4 HD2 ARG 4 7.018 4.882 4.882 34 2HD ARG 4 HD1 ARG 4 5.927 5.540 5.540 35 HE ARG 4 HE ARG 4 5.764 6.113 6.113 36 1HH1 ARG 4 HH21 ARG 4 3.904 6.359 6.359 37 2HH1 ARG 4 HH22 ARG 4 3.382 7.996 7.996 38 1HH2 ARG 4 HH11 ARG 4 5.734 8.692 8.692 39 2HH2 ARG 4 HH12 ARG 4 4.420 9.318 9.318 40 H ARG 5 HN ARG 5 9.502 3.413 3.413 41 HA ARG 5 HA ARG 5 11.525 2.768 2.768 42 1HB ARG 5 HB2 ARG 5 9.554 1.256 1.256 43 2HB ARG 5 HB1 ARG 5 10.685 0.418 0.418 44 1HG ARG 5 HG2 ARG 5 9.360 0.834 0.834 45 2HG ARG 5 HG1 ARG 5 9.535 2.569 2.569 46 1HD ARG 5 HD2 ARG 5 7.180 2.128 2.128 47 2HD ARG 5 HD1 ARG 5 7.744 2.274 2.274 48 HE ARG 5 HE ARG 5 8.110 -0.395 -0.395 49 1HH1 ARG 5 HH11 ARG 5 5.642 1.051 1.051 50 2HH1 ARG 5 HH12 ARG 5 4.353 0.169 0.169 51 1HH2 ARG 5 HH21 ARG 5 6.376 -1.232 -1.232 52 2HH2 ARG 5 HH22 ARG 5 4.769 -1.124 -1.124 53 H PHE 6 HN PHE 6 11.070 1.873 1.873 54 HA PHE 6 HA PHE 6 13.583 0.535 0.535 55 1HB PHE 6 HB2 PHE 6 12.026 0.037 0.037 56 2HB PHE 6 HB1 PHE 6 11.495 1.708 1.708 57 HD1 PHE 6 HD1 PHE 6 14.238 -0.624 -0.624 58 HD2 PHE 6 HD2 PHE 6 12.424 3.187 3.187 59 HE1 PHE 6 HE1 PHE 6 15.698 -0.313 -0.313 60 HE2 PHE 6 HE2 PHE 6 13.884 3.503 3.503 61 HZ PHE 6 HZ PHE 6 15.536 1.756 1.756 62 H PHE 7 HN PHE 7 12.615 3.912 3.912 63 HA PHE 7 HA PHE 7 15.122 4.770 4.770 64 1HB PHE 7 HB2 PHE 7 12.519 5.749 5.749 65 2HB PHE 7 HB1 PHE 7 13.663 6.874 6.874 66 HD1 PHE 7 HD1 PHE 7 11.863 6.513 6.513 67 HD2 PHE 7 HD2 PHE 7 15.975 6.836 6.836 68 HE1 PHE 7 HE1 PHE 7 12.453 7.373 7.373 69 HE2 PHE 7 HE2 PHE 7 16.565 7.691 7.691 70 HZ PHE 7 HZ PHE 7 14.805 7.965 7.965 71 H LYS 8 HN LYS 8 13.611 5.093 5.093 72 HA LYS 8 HA LYS 8 15.463 6.570 6.570 73 1HB LYS 8 HB2 LYS 8 13.622 4.378 4.378 74 2HB LYS 8 HB1 LYS 8 14.904 4.529 4.529 75 1HG LYS 8 HG2 LYS 8 13.554 7.036 7.036 76 2HG LYS 8 HG1 LYS 8 12.633 5.948 5.948 77 1HD LYS 8 HD2 LYS 8 13.728 7.103 7.103 78 2HD LYS 8 HD1 LYS 8 14.984 5.910 5.910 79 1HE LYS 8 HE2 LYS 8 16.162 7.446 7.446 80 2HE LYS 8 HE1 LYS 8 14.828 8.615 8.615 81 1HZ LYS 8 HZ3 LYS 8 15.792 7.700 7.700 82 2HZ LYS 8 HZ2 LYS 8 16.922 8.612 8.612 83 3HZ LYS 8 HZ1 LYS 8 15.399 9.269 9.269 84 H ALA 9 HN ALA 9 15.884 3.335 3.335 85 HA ALA 9 HA ALA 9 18.437 2.981 2.981 86 1HB ALA 9 HB1 ALA 9 16.487 1.354 1.354 87 2HB ALA 9 HB3 ALA 9 18.170 0.834 0.834 88 3HB ALA 9 HB2 ALA 9 17.359 0.946 0.946 89 H LYS 10 HN LYS 10 17.109 3.735 3.735 90 HA LYS 10 HA LYS 10 19.412 3.361 3.361 91 1HB LYS 10 HB2 LYS 10 16.806 3.900 3.900 92 2HB LYS 10 HB1 LYS 10 17.481 5.511 5.511 93 1HG LYS 10 HG2 LYS 10 17.727 4.825 4.825 94 2HG LYS 10 HG1 LYS 10 19.212 4.120 4.120 95 1HD LYS 10 HD2 LYS 10 16.973 2.353 2.353 96 2HD LYS 10 HD1 LYS 10 17.080 2.748 2.748 97 1HE LYS 10 HE2 LYS 10 18.722 1.183 1.183 98 2HE LYS 10 HE1 LYS 10 19.740 2.301 2.301 99 1HZ LYS 10 HZ1 LYS 10 18.772 1.422 1.422 100 2HZ LYS 10 HZ3 LYS 10 17.840 0.324 0.324 101 3HZ LYS 10 HZ2 LYS 10 19.533 0.187 0.187 102 H LYS 11 HN LYS 11 18.053 6.343 6.343 103 HA LYS 11 HA LYS 11 20.013 8.178 8.178 104 1HB LYS 11 HB2 LYS 11 18.134 7.777 7.777 105 2HB LYS 11 HB1 LYS 11 19.388 8.997 8.997 106 1HG LYS 11 HG2 LYS 11 17.646 8.905 8.905 107 2HG LYS 11 HG1 LYS 11 17.202 9.826 9.826 108 1HD LYS 11 HD2 LYS 11 19.166 11.199 11.199 109 2HD LYS 11 HD1 LYS 11 19.855 10.162 10.162 110 1HE LYS 11 HE2 LYS 11 17.214 11.049 11.049 111 2HE LYS 11 HE1 LYS 11 18.247 12.440 12.440 112 1HZ LYS 11 HZ1 LYS 11 20.019 11.007 11.007 113 2HZ LYS 11 HZ3 LYS 11 18.655 10.322 10.322 114 3HZ LYS 11 HZ2 LYS 11 18.941 11.992 11.992 115 H LEU 12 HN LEU 12 20.217 5.594 5.594 116 HA LEU 12 HA LEU 12 22.568 6.539 6.539 117 1HB LEU 12 HB2 LEU 12 21.467 3.734 3.734 118 2HB LEU 12 HB1 LEU 12 22.454 4.369 4.369 119 HG LEU 12 HG LEU 12 19.616 5.141 5.141 120 1HD1 LEU 12 HD12 LEU 12 20.034 3.094 3.094 121 2HD1 LEU 12 HD11 LEU 12 20.833 4.132 4.132 122 3HD1 LEU 12 HD13 LEU 12 19.118 4.352 4.352 123 1HD2 LEU 12 HD21 LEU 12 21.741 6.618 6.618 124 2HD2 LEU 12 HD23 LEU 12 20.276 7.224 7.224 125 3HD2 LEU 12 HD22 LEU 12 20.196 6.520 6.520 126 H ILE 13 HN ILE 13 22.094 5.169 5.169 127 HA ILE 13 HA ILE 13 25.012 4.692 4.692 128 HB ILE 13 HB ILE 13 24.314 2.547 2.547 129 1HG1 ILE 13 HG12 ILE 13 22.130 1.937 1.937 130 2HG1 ILE 13 HG11 ILE 13 21.761 3.480 3.480 131 1HG2 ILE 13 HG21 ILE 13 24.325 2.929 2.929 132 2HG2 ILE 13 HG23 ILE 13 24.039 1.328 1.328 133 3HG2 ILE 13 HG22 ILE 13 25.546 2.177 2.177 134 1HD1 ILE 13 HD13 ILE 13 22.814 2.059 2.059 135 2HD1 ILE 13 HD12 ILE 13 21.965 0.802 0.802 136 3HD1 ILE 13 HD11 ILE 13 21.090 2.224 2.224 137 H GLU 14 HN GLU 14 23.680 6.847 6.847 138 HA GLU 14 HA GLU 14 23.720 6.339 6.339 139 1HB GLU 14 HB2 GLU 14 21.870 7.958 7.958 140 2HB GLU 14 HB1 GLU 14 21.818 7.985 7.985 141 1HG GLU 14 HG2 GLU 14 21.805 5.330 5.330 142 2HG GLU 14 HG1 GLU 14 20.330 6.280 6.280 143 1H CYS 1 HT1 CYS 1 0.488 5.537 5.537 144 2H CYS 1 HT3 CYS 1 -0.681 4.713 4.713 145 3H CYS 1 HT2 CYS 1 0.076 3.936 3.936 146 HA CYS 1 HA CYS 1 1.077 3.095 3.095 147 1HB CYS 1 HB2 CYS 1 0.580 5.876 5.876 148 2HB CYS 1 HB1 CYS 1 2.218 5.383 5.383 149 H TYR 2 HN TYR 2 1.805 4.562 4.562 150 HA TYR 2 HA TYR 2 4.758 4.381 4.381 151 1HB TYR 2 HB2 TYR 2 5.004 6.249 6.249 152 2HB TYR 2 HB1 TYR 2 3.428 6.603 6.603 153 HD1 TYR 2 HD1 TYR 2 1.525 6.818 6.818 154 HD2 TYR 2 HD2 TYR 2 5.050 4.929 4.929 155 HE1 TYR 2 HE1 TYR 2 0.489 6.701 6.701 156 HE2 TYR 2 HE2 TYR 2 4.043 4.802 4.802 157 HH TYR 2 HH TYR 2 1.440 4.767 4.767 158 H LEU 3 HN LEU 3 1.971 3.444 3.444 159 HA LEU 3 HA LEU 3 2.973 2.352 2.352 160 1HB LEU 3 HB2 LEU 3 0.901 1.656 1.656 161 2HB LEU 3 HB1 LEU 3 1.300 0.385 0.385 162 HG LEU 3 HG LEU 3 0.869 1.908 1.908 163 1HD1 LEU 3 HD12 LEU 3 1.612 3.929 3.929 164 2HD1 LEU 3 HD11 LEU 3 -0.032 3.952 3.952 165 3HD1 LEU 3 HD13 LEU 3 0.249 4.178 4.178 166 1HD2 LEU 3 HD21 LEU 3 -1.010 0.678 0.678 167 2HD2 LEU 3 HD23 LEU 3 -1.458 1.826 1.826 168 3HD2 LEU 3 HD22 LEU 3 -1.478 2.323 2.323 169 H ARG 4 HN ARG 4 2.831 0.737 0.737 170 HA ARG 4 HA ARG 4 4.240 -1.618 -1.618 171 1HB ARG 4 HB2 ARG 4 4.938 0.103 0.103 172 2HB ARG 4 HB1 ARG 4 4.614 -1.625 -1.625 173 1HG ARG 4 HG2 ARG 4 2.607 -0.991 -0.991 174 2HG ARG 4 HG1 ARG 4 2.201 -0.678 -0.678 175 1HD ARG 4 HD2 ARG 4 3.248 1.704 1.704 176 2HD ARG 4 HD1 ARG 4 2.929 1.299 1.299 177 HE ARG 4 HE ARG 4 0.917 2.111 2.111 178 1HH1 ARG 4 HH11 ARG 4 1.147 0.594 0.594 179 2HH1 ARG 4 HH12 ARG 4 -0.284 -0.370 -0.370 180 1HH2 ARG 4 HH21 ARG 4 -0.724 0.327 0.327 181 2HH2 ARG 4 HH22 ARG 4 -1.341 -0.525 -0.525 182 H ARG 5 HN ARG 5 5.508 1.641 1.641 183 HA ARG 5 HA ARG 5 8.294 0.901 0.901 184 1HB ARG 5 HB2 ARG 5 8.068 2.833 2.833 185 2HB ARG 5 HB1 ARG 5 6.623 3.295 3.295 186 1HG ARG 5 HG2 ARG 5 9.124 3.326 3.326 187 2HG ARG 5 HG1 ARG 5 9.015 4.540 4.540 188 1HD ARG 5 HD2 ARG 5 6.480 4.437 4.437 189 2HD ARG 5 HD1 ARG 5 7.738 4.587 4.587 190 HE ARG 5 HE ARG 5 8.436 6.333 6.333 191 1HH1 ARG 5 HH11 ARG 5 7.572 6.637 6.637 192 2HH1 ARG 5 HH12 ARG 5 6.501 7.986 7.986 193 1HH2 ARG 5 HH21 ARG 5 6.366 7.774 7.774 194 2HH2 ARG 5 HH22 ARG 5 5.818 8.630 8.630 195 H PHE 6 HN PHE 6 5.976 2.457 2.457 196 HA PHE 6 HA PHE 6 7.838 2.656 2.656 197 1HB PHE 6 HB2 PHE 6 6.118 4.068 4.068 198 2HB PHE 6 HB1 PHE 6 5.044 3.165 3.165 199 HD1 PHE 6 HD1 PHE 6 6.483 3.321 3.321 200 HD2 PHE 6 HD2 PHE 6 3.480 1.621 1.621 201 HE1 PHE 6 HE1 PHE 6 5.334 2.406 2.406 202 HE2 PHE 6 HE2 PHE 6 2.325 0.706 0.706 203 HZ PHE 6 HZ PHE 6 3.244 1.089 1.089 204 H PHE 7 HN PHE 7 5.136 0.410 0.410 205 HA PHE 7 HA PHE 7 5.471 -1.278 -1.278 206 1HB PHE 7 HB2 PHE 7 3.997 -1.092 -1.092 207 2HB PHE 7 HB1 PHE 7 4.535 -2.754 -2.754 208 HD1 PHE 7 HD1 PHE 7 4.530 -3.294 -3.294 209 HD2 PHE 7 HD2 PHE 7 1.826 -0.777 -0.777 210 HE1 PHE 7 HE1 PHE 7 2.813 -3.617 -3.617 211 HE2 PHE 7 HE2 PHE 7 0.103 -1.105 -1.105 212 HZ PHE 7 HZ PHE 7 0.594 -2.525 -2.525 213 H LYS 8 HN LYS 8 6.920 -1.490 -1.490 214 HA LYS 8 HA LYS 8 8.133 -3.969 -3.969 215 1HB LYS 8 HB2 LYS 8 8.547 -1.402 -1.402 216 2HB LYS 8 HB1 LYS 8 10.071 -2.248 -2.248 217 1HG LYS 8 HG2 LYS 8 8.834 -4.307 -4.307 218 2HG LYS 8 HG1 LYS 8 7.651 -3.136 -3.136 219 1HD LYS 8 HD2 LYS 8 10.305 -2.177 -2.177 220 2HD LYS 8 HD1 LYS 8 10.130 -3.820 -3.820 221 1HE LYS 8 HE2 LYS 8 7.751 -2.795 -2.795 222 2HE LYS 8 HE1 LYS 8 8.753 -1.331 -1.331 223 1HZ LYS 8 HZ1 LYS 8 10.471 -2.903 -2.903 224 2HZ LYS 8 HZ3 LYS 8 9.139 -3.899 -3.899 225 3HZ LYS 8 HZ2 LYS 8 9.193 -2.322 -2.322 226 H ALA 9 HN ALA 9 8.896 -1.168 -1.168 227 HA ALA 9 HA ALA 9 11.433 -2.273 -2.273 228 1HB ALA 9 HB3 ALA 9 9.801 0.222 0.222 229 2HB ALA 9 HB2 ALA 9 11.176 -0.136 -0.136 230 3HB ALA 9 HB1 ALA 9 11.418 0.074 0.074 231 H LYS 10 HN LYS 10 8.097 -2.081 -2.081 232 HA LYS 10 HA LYS 10 8.258 -2.642 -2.642 233 1HB LYS 10 HB2 LYS 10 6.395 -1.846 -1.846 234 2HB LYS 10 HB1 LYS 10 6.023 -3.561 -3.561 235 1HG LYS 10 HG2 LYS 10 4.687 -2.580 -2.580 236 2HG LYS 10 HG1 LYS 10 6.038 -3.344 -3.344 237 1HD LYS 10 HD2 LYS 10 7.023 -1.332 -1.332 238 2HD LYS 10 HD1 LYS 10 6.380 -0.519 -0.519 239 1HE LYS 10 HE2 LYS 10 4.214 -0.277 -0.277 240 2HE LYS 10 HE1 LYS 10 4.604 -1.416 -1.416 241 1HZ LYS 10 HZ2 LYS 10 6.508 0.723 0.723 242 2HZ LYS 10 HZ1 LYS 10 4.947 1.277 1.277 243 3HZ LYS 10 HZ3 LYS 10 5.707 0.145 0.145 244 H LYS 11 HN LYS 11 7.191 -4.827 -4.827 245 HA LYS 11 HA LYS 11 7.234 -7.214 -7.214 246 1HB LYS 11 HB2 LYS 11 6.865 -8.077 -8.077 247 2HB LYS 11 HB1 LYS 11 6.856 -6.391 -6.391 248 1HG LYS 11 HG2 LYS 11 8.424 -7.276 -7.276 249 2HG LYS 11 HG1 LYS 11 9.464 -6.749 -6.749 250 1HD LYS 11 HD2 LYS 11 10.132 -8.993 -8.993 251 2HD LYS 11 HD1 LYS 11 9.205 -9.080 -9.080 252 1HE LYS 11 HE2 LYS 11 8.272 -10.823 -10.823 253 2HE LYS 11 HE1 LYS 11 7.155 -9.475 -9.475 254 1HZ LYS 11 HZ2 LYS 11 9.573 -9.919 -9.919 255 2HZ LYS 11 HZ1 LYS 11 8.081 -10.633 -10.633 256 3HZ LYS 11 HZ3 LYS 11 8.227 -8.943 -8.943 257 H LEU 12 HN LEU 12 9.953 -5.333 -5.333 258 HA LEU 12 HA LEU 12 11.960 -7.366 -7.366 259 1HB LEU 12 HB2 LEU 12 11.883 -4.360 -4.360 260 2HB LEU 12 HB1 LEU 12 13.412 -5.219 -5.219 261 HG LEU 12 HG LEU 12 11.419 -5.628 -5.628 262 1HD1 LEU 12 HD13 LEU 12 13.432 -3.688 -3.688 263 2HD1 LEU 12 HD12 LEU 12 14.112 -4.880 -4.880 264 3HD1 LEU 12 HD11 LEU 12 12.589 -4.080 -4.080 265 1HD2 LEU 12 HD23 LEU 12 13.808 -7.130 -7.130 266 2HD2 LEU 12 HD22 LEU 12 12.385 -7.712 -7.712 267 3HD2 LEU 12 HD21 LEU 12 13.672 -6.887 -6.887 268 H ILE 13 HN ILE 13 10.149 -5.731 -5.731 269 HA ILE 13 HA ILE 13 12.006 -6.660 -6.660 270 HB ILE 13 HB ILE 13 11.601 -4.250 -4.250 271 1HG1 ILE 13 HG12 ILE 13 11.979 -3.033 -3.033 272 2HG1 ILE 13 HG11 ILE 13 10.482 -3.957 -3.957 273 1HG2 ILE 13 HG21 ILE 13 13.719 -5.528 -5.528 274 2HG2 ILE 13 HG23 ILE 13 13.595 -4.077 -4.077 275 3HG2 ILE 13 HG22 ILE 13 13.810 -3.936 -3.936 276 1HD1 ILE 13 HD12 ILE 13 10.117 -2.839 -2.839 277 2HD1 ILE 13 HD11 ILE 13 11.221 -1.629 -1.629 278 3HD1 ILE 13 HD13 ILE 13 9.701 -1.972 -1.972 279 H GLU 14 HN GLU 14 9.588 -7.740 -7.740 280 HA GLU 14 HA GLU 14 7.884 -6.784 -6.784 281 1HB GLU 14 HB2 GLU 14 7.264 -7.909 -7.909 282 2HB GLU 14 HB1 GLU 14 6.030 -7.531 -7.531 283 1HG GLU 14 HG2 GLU 14 8.006 -5.401 -5.401 284 2HG GLU 14 HG1 GLU 14 6.901 -5.752 -5.752 285 1H CYS 1 HT3 CYS 1 23.703 -4.205 -4.205 286 2H CYS 1 HT2 CYS 1 25.352 -3.873 -3.873 287 3H CYS 1 HT1 CYS 1 24.278 -2.617 -2.617 288 HA CYS 1 HA CYS 1 24.328 -2.256 -2.256 289 1HB CYS 1 HB2 CYS 1 25.132 -5.157 -5.157 290 2HB CYS 1 HB1 CYS 1 24.681 -4.414 -4.414 291 H TYR 2 HN TYR 2 22.059 -2.279 -2.279 292 HA TYR 2 HA TYR 2 20.133 -3.063 -3.063 293 1HB TYR 2 HB2 TYR 2 19.409 -5.086 -5.086 294 2HB TYR 2 HB1 TYR 2 21.000 -5.143 -5.143 295 HD1 TYR 2 HD1 TYR 2 21.154 -5.401 -5.401 296 HD2 TYR 2 HD2 TYR 2 17.580 -3.764 -3.764 297 HE1 TYR 2 HE1 TYR 2 20.121 -5.343 -5.343 298 HE2 TYR 2 HE2 TYR 2 16.531 -3.695 -3.695 299 HH TYR 2 HH TYR 2 16.930 -5.104 -5.104 300 H LEU 3 HN LEU 3 20.885 -2.201 -2.201 301 HA LEU 3 HA LEU 3 18.555 -1.086 -1.086 302 1HB LEU 3 HB2 LEU 3 21.423 -0.652 -0.652 303 2HB LEU 3 HB1 LEU 3 20.507 0.796 0.796 304 HG LEU 3 HG LEU 3 19.305 -0.373 -0.373 305 1HD1 LEU 3 HD12 LEU 3 19.946 -2.646 -2.646 306 2HD1 LEU 3 HD11 LEU 3 20.701 -2.884 -2.884 307 3HD1 LEU 3 HD13 LEU 3 18.966 -2.588 -2.588 308 1HD2 LEU 3 HD22 LEU 3 22.276 -0.623 -0.623 309 2HD2 LEU 3 HD21 LEU 3 21.245 0.390 0.390 310 3HD2 LEU 3 HD23 LEU 3 21.375 -1.338 -1.338 311 H ARG 4 HN ARG 4 20.848 0.293 0.293 312 HA ARG 4 HA ARG 4 19.738 2.815 2.815 313 1HB ARG 4 HB2 ARG 4 20.773 0.966 0.966 314 2HB ARG 4 HB1 ARG 4 21.020 2.703 2.703 315 1HG ARG 4 HG2 ARG 4 23.029 2.166 2.166 316 2HG ARG 4 HG1 ARG 4 22.117 1.729 1.729 317 1HD ARG 4 HD2 ARG 4 21.859 -0.614 -0.614 318 2HD ARG 4 HD1 ARG 4 23.024 -0.123 -0.123 319 HE ARG 4 HE ARG 4 23.769 -0.857 -0.857 320 1HH1 ARG 4 HH21 ARG 4 23.894 2.173 2.173 321 2HH1 ARG 4 HH22 ARG 4 25.539 2.479 2.479 322 1HH2 ARG 4 HH11 ARG 4 26.019 -0.657 -0.657 323 2HH2 ARG 4 HH12 ARG 4 26.744 0.876 0.876 324 H ARG 5 HN ARG 5 18.940 -0.371 -0.371 325 HA ARG 5 HA ARG 5 16.747 0.713 0.713 326 1HB ARG 5 HB2 ARG 5 16.782 -1.379 -1.379 327 2HB ARG 5 HB1 ARG 5 18.369 -1.432 -1.432 328 1HG ARG 5 HG2 ARG 5 16.904 -2.316 -2.316 329 2HG ARG 5 HG1 ARG 5 15.842 -2.830 -2.830 330 1HD ARG 5 HD2 ARG 5 18.709 -3.424 -3.424 331 2HD ARG 5 HD1 ARG 5 17.944 -4.321 -4.321 332 HE ARG 5 HE ARG 5 16.198 -4.249 -4.249 333 1HH1 ARG 5 HH21 ARG 5 19.065 -5.694 -5.694 334 2HH1 ARG 5 HH22 ARG 5 18.889 -7.154 -7.154 335 1HH2 ARG 5 HH11 ARG 5 15.962 -6.147 -6.147 336 2HH2 ARG 5 HH12 ARG 5 17.134 -7.412 -7.412 337 H PHE 6 HN PHE 6 17.009 0.095 0.095 338 HA PHE 6 HA PHE 6 14.133 -0.667 -0.667 339 1HB PHE 6 HB2 PHE 6 14.997 -2.154 -2.154 340 2HB PHE 6 HB1 PHE 6 16.579 -1.403 -1.403 341 HD1 PHE 6 HD1 PHE 6 17.322 0.250 0.250 342 HD2 PHE 6 HD2 PHE 6 13.432 -1.523 -1.523 343 HE1 PHE 6 HE1 PHE 6 17.089 1.127 1.127 344 HE2 PHE 6 HE2 PHE 6 13.191 -0.646 -0.646 345 HZ PHE 6 HZ PHE 6 15.019 0.688 0.688 346 H PHE 7 HN PHE 7 16.529 1.512 1.512 347 HA PHE 7 HA PHE 7 14.513 3.073 3.073 348 1HB PHE 7 HB2 PHE 7 16.337 4.123 4.123 349 2HB PHE 7 HB1 PHE 7 17.154 2.694 2.694 350 HD1 PHE 7 HD1 PHE 7 16.182 6.181 6.181 351 HD2 PHE 7 HD2 PHE 7 18.957 2.940 2.940 352 HE1 PHE 7 HE1 PHE 7 17.622 7.631 7.631 353 HE2 PHE 7 HE2 PHE 7 20.398 4.388 4.388 354 HZ PHE 7 HZ PHE 7 19.731 6.735 6.735 355 H LYS 8 HN LYS 8 15.837 3.081 3.081 356 HA LYS 8 HA LYS 8 15.447 5.757 5.757 357 1HB LYS 8 HB2 LYS 8 15.727 3.126 3.126 358 2HB LYS 8 HB1 LYS 8 14.818 4.246 4.246 359 1HG LYS 8 HG2 LYS 8 16.665 5.919 5.919 360 2HG LYS 8 HG1 LYS 8 17.592 4.666 4.666 361 1HD LYS 8 HD2 LYS 8 16.673 3.488 3.488 362 2HD LYS 8 HD1 LYS 8 17.254 5.092 5.092 363 1HE LYS 8 HE2 LYS 8 19.023 3.713 3.713 364 2HE LYS 8 HE1 LYS 8 18.882 2.892 2.892 365 1HZ LYS 8 HZ2 LYS 8 19.054 5.282 5.282 366 2HZ LYS 8 HZ1 LYS 8 19.759 5.646 5.646 367 3HZ LYS 8 HZ3 LYS 8 20.474 4.487 4.487 368 H ALA 9 HN ALA 9 13.180 3.007 3.007 369 HA ALA 9 HA ALA 9 10.989 4.599 4.599 370 1HB ALA 9 HB1 ALA 9 11.649 1.903 1.903 371 2HB ALA 9 HB3 ALA 9 10.266 2.186 2.186 372 3HB ALA 9 HB2 ALA 9 10.137 2.518 2.518 373 H LYS 10 HN LYS 10 12.339 3.917 3.917 374 HA LYS 10 HA LYS 10 10.092 4.409 4.409 375 1HB LYS 10 HB2 LYS 10 12.561 3.475 3.475 376 2HB LYS 10 HB1 LYS 10 12.835 5.143 5.143 377 1HG LYS 10 HG2 LYS 10 12.260 4.077 4.077 378 2HG LYS 10 HG1 LYS 10 10.758 4.849 4.849 379 1HD LYS 10 HD2 LYS 10 9.894 2.794 2.794 380 2HD LYS 10 HD1 LYS 10 11.460 1.997 1.997 381 1HE LYS 10 HE2 LYS 10 11.330 1.990 1.990 382 2HE LYS 10 HE1 LYS 10 9.935 3.087 3.087 383 1HZ LYS 10 HZ3 LYS 10 8.904 1.293 1.293 384 2HZ LYS 10 HZ2 LYS 10 10.076 0.264 0.264 385 3HZ LYS 10 HZ1 LYS 10 8.932 1.025 1.025 386 H LYS 11 HN LYS 11 12.888 6.582 6.582 387 HA LYS 11 HA LYS 11 11.902 8.914 8.914 388 1HB LYS 11 HB2 LYS 11 13.881 8.092 8.092 389 2HB LYS 11 HB1 LYS 11 13.181 9.637 9.637 390 1HG LYS 11 HG2 LYS 11 13.908 9.287 9.287 391 2HG LYS 11 HG1 LYS 11 15.220 9.514 9.514 392 1HD LYS 11 HD2 LYS 11 13.421 11.432 11.432 393 2HD LYS 11 HD1 LYS 11 13.202 11.438 11.438 394 1HE LYS 11 HE2 LYS 11 15.874 11.408 11.408 395 2HE LYS 11 HE1 LYS 11 15.619 12.172 12.172 396 1HZ LYS 11 HZ3 LYS 11 14.002 13.671 13.671 397 2HZ LYS 11 HZ2 LYS 11 14.486 13.033 13.033 398 3HZ LYS 11 HZ1 LYS 11 15.597 13.885 13.885 399 H LEU 12 HN LEU 12 11.054 7.526 7.526 400 HA LEU 12 HA LEU 12 9.629 9.760 9.760 401 1HB LEU 12 HB2 LEU 12 9.413 6.775 6.775 402 2HB LEU 12 HB1 LEU 12 8.688 7.996 7.996 403 HG LEU 12 HG LEU 12 11.638 7.614 7.614 404 1HD1 LEU 12 HD11 LEU 12 9.790 6.918 6.918 405 2HD1 LEU 12 HD13 LEU 12 11.302 7.668 7.668 406 3HD1 LEU 12 HD12 LEU 12 11.331 6.188 6.188 407 1HD2 LEU 12 HD22 LEU 12 10.108 9.960 9.960 408 2HD2 LEU 12 HD21 LEU 12 11.782 9.853 9.853 409 3HD2 LEU 12 HD23 LEU 12 11.378 9.508 9.508 410 H ILE 13 HN ILE 13 8.849 7.626 7.626 411 HA ILE 13 HA ILE 13 6.093 8.715 8.715 412 HB ILE 13 HB ILE 13 5.404 6.297 6.297 413 1HG1 ILE 13 HG12 ILE 13 7.011 4.842 4.842 414 2HG1 ILE 13 HG11 ILE 13 8.184 5.943 5.943 415 1HG2 ILE 13 HG23 ILE 13 5.842 7.526 7.526 416 2HG2 ILE 13 HG22 ILE 13 5.623 5.777 5.777 417 3HG2 ILE 13 HG21 ILE 13 4.382 6.811 6.811 418 1HD1 ILE 13 HD13 ILE 13 6.338 4.953 4.953 419 2HD1 ILE 13 HD12 ILE 13 7.164 3.629 3.629 420 3HD1 ILE 13 HD11 ILE 13 8.100 4.892 4.892 421 H GLU 14 HN GLU 14 8.151 9.525 9.525 422 HA GLU 14 HA GLU 14 7.380 8.433 8.433 423 1HB GLU 14 HB2 GLU 14 10.044 9.221 9.221 424 2HB GLU 14 HB1 GLU 14 9.810 8.769 8.769 425 1HG GLU 14 HG2 GLU 14 8.740 6.932 6.932 426 2HG GLU 14 HG1 GLU 14 10.486 6.973 6.973 427 1H CYS 1 HT1 CYS 1 27.624 -3.148 -3.148 428 2H CYS 1 HT3 CYS 1 28.361 -3.925 -3.925 429 3H CYS 1 HT2 CYS 1 27.185 -4.740 -4.740 430 HA CYS 1 HA CYS 1 25.721 -4.084 -4.084 431 1HB CYS 1 HB2 CYS 1 28.082 -2.341 -2.341 432 2HB CYS 1 HB1 CYS 1 26.532 -2.018 -2.018 433 H TYR 2 HN TYR 2 25.114 -3.408 -3.408 434 HA TYR 2 HA TYR 2 23.531 -1.040 -1.040 435 1HB TYR 2 HB2 TYR 2 24.841 0.552 0.552 436 2HB TYR 2 HB1 TYR 2 26.163 -0.490 -0.490 437 HD1 TYR 2 HD1 TYR 2 27.654 -1.302 -1.302 438 HD2 TYR 2 HD2 TYR 2 23.725 -0.088 -0.088 439 HE1 TYR 2 HE1 TYR 2 28.253 -1.725 -1.725 440 HE2 TYR 2 HE2 TYR 2 24.306 -0.508 -0.508 441 HH TYR 2 HH TYR 2 27.135 -0.608 -0.608 442 H LEU 3 HN LEU 3 25.121 -3.420 -3.420 443 HA LEU 3 HA LEU 3 23.679 -3.430 -3.430 444 1HB LEU 3 HB2 LEU 3 24.914 -5.368 -5.368 445 2HB LEU 3 HB1 LEU 3 23.719 -6.078 -6.078 446 HG LEU 3 HG LEU 3 24.870 -5.144 -5.144 447 1HD1 LEU 3 HD13 LEU 3 25.710 -3.160 -3.160 448 2HD1 LEU 3 HD12 LEU 3 27.127 -4.195 -4.195 449 3HD1 LEU 3 HD11 LEU 3 26.628 -3.644 -3.644 450 1HD2 LEU 3 HD23 LEU 3 26.500 -6.694 -6.694 451 2HD2 LEU 3 HD22 LEU 3 25.731 -7.272 -7.272 452 3HD2 LEU 3 HD21 LEU 3 27.180 -6.272 -6.272 453 H ARG 4 HN ARG 4 22.732 -4.854 -4.854 454 HA ARG 4 HA ARG 4 20.166 -5.829 -5.829 455 1HB ARG 4 HB2 ARG 4 20.691 -4.224 -4.224 456 2HB ARG 4 HB1 ARG 4 19.848 -5.761 -5.761 457 1HG ARG 4 HG2 ARG 4 21.783 -6.646 -6.646 458 2HG ARG 4 HG1 ARG 4 22.358 -6.443 -6.443 459 1HD ARG 4 HD2 ARG 4 23.127 -4.091 -4.091 460 2HD ARG 4 HD1 ARG 4 22.806 -4.577 -4.577 461 HE ARG 4 HE ARG 4 25.101 -5.374 -5.374 462 1HH1 ARG 4 HH21 ARG 4 23.506 -6.067 -6.067 463 2HH1 ARG 4 HH22 ARG 4 23.976 -7.732 -7.732 464 1HH2 ARG 4 HH11 ARG 4 25.292 -7.827 -7.827 465 2HH2 ARG 4 HH12 ARG 4 24.984 -8.728 -8.728 466 H ARG 5 HN ARG 5 21.189 -2.533 -2.533 467 HA ARG 5 HA ARG 5 18.536 -1.384 -1.384 468 1HB ARG 5 HB2 ARG 5 19.611 0.478 0.478 469 2HB ARG 5 HB1 ARG 5 20.920 -0.662 -0.662 470 1HG ARG 5 HG2 ARG 5 21.565 -0.079 -0.079 471 2HG ARG 5 HG1 ARG 5 20.646 1.386 1.386 472 1HD ARG 5 HD2 ARG 5 22.625 0.549 0.549 473 2HD ARG 5 HD1 ARG 5 23.268 1.219 1.219 474 HE ARG 5 HE ARG 5 21.257 2.974 2.974 475 1HH1 ARG 5 HH11 ARG 5 24.395 2.483 2.483 476 2HH1 ARG 5 HH12 ARG 5 24.297 3.466 3.466 477 1HH2 ARG 5 HH21 ARG 5 20.864 3.879 3.879 478 2HH2 ARG 5 HH22 ARG 5 22.302 4.252 4.252 479 H PHE 6 HN PHE 6 21.169 -1.901 -1.901 480 HA PHE 6 HA PHE 6 19.921 -0.243 -0.243 481 1HB PHE 6 HB2 PHE 6 22.192 -0.134 -0.134 482 2HB PHE 6 HB1 PHE 6 22.413 -1.734 -1.734 483 HD1 PHE 6 HD1 PHE 6 21.024 -0.078 -0.078 484 HD2 PHE 6 HD2 PHE 6 23.096 -3.441 -3.441 485 HE1 PHE 6 HE1 PHE 6 21.378 -0.975 -0.975 486 HE2 PHE 6 HE2 PHE 6 23.448 -4.345 -4.345 487 HZ PHE 6 HZ PHE 6 22.590 -3.120 -3.120 488 H PHE 7 HN PHE 7 20.788 -3.706 -3.706 489 HA PHE 7 HA PHE 7 19.442 -4.641 -4.641 490 1HB PHE 7 HB2 PHE 7 20.658 -5.621 -5.621 491 2HB PHE 7 HB1 PHE 7 19.298 -6.629 -6.629 492 HD1 PHE 7 HD1 PHE 7 19.273 -6.508 -6.508 493 HD2 PHE 7 HD2 PHE 7 22.646 -6.643 -6.643 494 HE1 PHE 7 HE1 PHE 7 20.647 -7.482 -7.482 495 HE2 PHE 7 HE2 PHE 7 24.027 -7.626 -7.626 496 HZ PHE 7 HZ PHE 7 23.029 -8.047 -8.047 497 H LYS 8 HN LYS 8 18.209 -3.928 -3.928 498 HA LYS 8 HA LYS 8 15.762 -5.215 -5.215 499 1HB LYS 8 HB2 LYS 8 17.034 -2.934 -2.934 500 2HB LYS 8 HB1 LYS 8 15.330 -2.593 -2.593 501 1HG LYS 8 HG2 LYS 8 15.125 -5.089 -5.089 502 2HG LYS 8 HG1 LYS 8 16.605 -4.576 -4.576 503 1HD LYS 8 HD2 LYS 8 14.529 -2.512 -2.512 504 2HD LYS 8 HD1 LYS 8 14.036 -3.988 -3.988 505 1HE LYS 8 HE2 LYS 8 15.566 -3.700 -3.700 506 2HE LYS 8 HE1 LYS 8 16.796 -3.042 -3.042 507 1HZ LYS 8 HZ1 LYS 8 14.314 -1.536 -1.536 508 2HZ LYS 8 HZ3 LYS 8 15.566 -1.454 -1.454 509 3HZ LYS 8 HZ2 LYS 8 15.844 -0.961 -0.961 510 H ALA 9 HN ALA 9 16.751 -2.555 -2.555 511 HA ALA 9 HA ALA 9 14.017 -2.022 -2.022 512 1HB ALA 9 HB1 ALA 9 16.764 -0.889 -0.889 513 2HB ALA 9 HB3 ALA 9 15.396 -0.408 -0.408 514 3HB ALA 9 HB2 ALA 9 15.368 -0.096 -0.096 515 H LYS 10 HN LYS 10 16.843 -3.809 -3.809 516 HA LYS 10 HA LYS 10 16.356 -4.150 -4.150 517 1HB LYS 10 HB2 LYS 10 18.310 -4.656 -4.656 518 2HB LYS 10 HB1 LYS 10 17.631 -6.259 -6.259 519 1HG LYS 10 HG2 LYS 10 19.304 -6.116 -6.116 520 2HG LYS 10 HG1 LYS 10 17.808 -5.769 -5.769 521 1HD LYS 10 HD2 LYS 10 18.589 -3.289 -3.289 522 2HD LYS 10 HD1 LYS 10 20.105 -4.037 -4.037 523 1HE LYS 10 HE2 LYS 10 19.551 -3.959 -3.959 524 2HE LYS 10 HE1 LYS 10 17.850 -4.356 -4.356 525 1HZ LYS 10 HZ1 LYS 10 17.602 -2.121 -2.121 526 2HZ LYS 10 HZ3 LYS 10 19.183 -1.747 -1.747 527 3HZ LYS 10 HZ2 LYS 10 17.991 -2.067 -2.067 528 H LYS 11 HN LYS 11 15.872 -6.432 -6.432 529 HA LYS 11 HA LYS 11 14.438 -8.418 -8.418 530 1HB LYS 11 HB2 LYS 11 14.345 -7.252 -7.252 531 2HB LYS 11 HB1 LYS 11 13.305 -8.608 -8.608 532 1HG LYS 11 HG2 LYS 11 16.333 -8.524 -8.524 533 2HG LYS 11 HG1 LYS 11 15.347 -9.502 -9.502 534 1HD LYS 11 HD2 LYS 11 14.303 -10.359 -10.359 535 2HD LYS 11 HD1 LYS 11 15.878 -9.866 -9.866 536 1HE LYS 11 HE2 LYS 11 15.998 -11.405 -11.405 537 2HE LYS 11 HE1 LYS 11 15.404 -12.316 -12.316 538 1HZ LYS 11 HZ1 LYS 11 17.854 -10.632 -10.632 539 2HZ LYS 11 HZ3 LYS 11 17.836 -12.327 -12.327 540 3HZ LYS 11 HZ2 LYS 11 17.281 -11.524 -11.524 541 H LEU 12 HN LEU 12 13.385 -5.213 -5.213 542 HA LEU 12 HA LEU 12 10.560 -5.652 -5.652 543 1HB LEU 12 HB2 LEU 12 12.433 -3.306 -3.306 544 2HB LEU 12 HB1 LEU 12 10.710 -3.056 -3.056 545 HG LEU 12 HG LEU 12 11.858 -4.586 -4.586 546 1HD1 LEU 12 HD12 LEU 12 11.781 -1.809 -1.809 547 2HD1 LEU 12 HD11 LEU 12 10.425 -2.150 -2.150 548 3HD1 LEU 12 HD13 LEU 12 12.059 -2.629 -2.629 549 1HD2 LEU 12 HD21 LEU 12 9.286 -4.572 -4.572 550 2HD2 LEU 12 HD23 LEU 12 9.730 -5.210 -5.210 551 3HD2 LEU 12 HD22 LEU 12 9.166 -3.546 -3.546 552 H ILE 13 HN ILE 13 13.012 -5.482 -5.482 553 HA ILE 13 HA ILE 13 10.959 -5.231 -5.231 554 HB ILE 13 HB ILE 13 12.641 -3.577 -3.577 555 1HG1 ILE 13 HG12 ILE 13 13.365 -2.194 -2.194 556 2HG1 ILE 13 HG11 ILE 13 13.761 -3.862 -3.862 557 1HG2 ILE 13 HG23 ILE 13 10.273 -3.193 -3.193 558 2HG2 ILE 13 HG22 ILE 13 11.184 -2.404 -2.404 559 3HG2 ILE 13 HG21 ILE 13 11.293 -1.801 -1.801 560 1HD1 ILE 13 HD11 ILE 13 14.539 -3.304 -3.304 561 2HD1 ILE 13 HD13 ILE 13 15.228 -2.084 -2.084 562 3HD1 ILE 13 HD12 ILE 13 15.553 -3.793 -3.793 563 H GLU 14 HN GLU 14 12.284 -7.502 -7.502 564 HA GLU 14 HA GLU 14 14.112 -7.911 -7.911 565 1HB GLU 14 HB2 GLU 14 14.201 -8.859 -8.859 566 2HB GLU 14 HB1 GLU 14 15.331 -9.409 -9.409 567 1HG GLU 14 HG2 GLU 14 14.945 -6.478 -6.478 568 2HG GLU 14 HG1 GLU 14 15.839 -7.284 -7.284 Start of MODEL 2 1 1H CYS 1 HT2 CYS 1 5.204 6.457 6.457 2 2H CYS 1 HT1 CYS 1 3.626 5.860 5.860 3 3H CYS 1 HT3 CYS 1 3.955 7.498 7.498 4 HA CYS 1 HA CYS 1 5.168 7.033 7.033 5 1HB CYS 1 HB2 CYS 1 2.689 5.318 5.318 6 2HB CYS 1 HB1 CYS 1 3.404 5.655 5.655 7 H TYR 2 HN TYR 2 7.036 5.873 5.873 8 HA TYR 2 HA TYR 2 7.719 3.518 3.518 9 1HB TYR 2 HB2 TYR 2 7.012 1.791 1.791 10 2HB TYR 2 HB1 TYR 2 5.823 2.972 2.972 11 HD1 TYR 2 HD1 TYR 2 5.764 3.630 3.630 12 HD2 TYR 2 HD2 TYR 2 9.285 1.757 1.757 13 HE1 TYR 2 HE1 TYR 2 6.758 3.582 3.582 14 HE2 TYR 2 HE2 TYR 2 10.284 1.707 1.707 15 HH TYR 2 HH TYR 2 10.097 2.640 2.640 16 H LEU 3 HN LEU 3 8.011 5.485 5.485 17 HA LEU 3 HA LEU 3 10.530 4.896 4.896 18 1HB LEU 3 HB2 LEU 3 8.702 6.663 6.663 19 2HB LEU 3 HB1 LEU 3 9.638 7.680 7.680 20 HG LEU 3 HG LEU 3 11.469 6.373 6.373 21 1HD1 LEU 3 HD11 LEU 3 9.221 6.162 6.162 22 2HD1 LEU 3 HD13 LEU 3 9.638 7.817 7.817 23 3HD1 LEU 3 HD12 LEU 3 10.764 6.500 6.500 24 1HD2 LEU 3 HD22 LEU 3 11.228 8.779 8.779 25 2HD2 LEU 3 HD21 LEU 3 12.224 8.538 8.538 26 3HD2 LEU 3 HD23 LEU 3 10.586 9.175 9.175 27 H ARG 4 HN ARG 4 9.811 7.347 7.347 28 HA ARG 4 HA ARG 4 12.383 7.917 7.917 29 1HB ARG 4 HB2 ARG 4 11.262 8.453 8.453 30 2HB ARG 4 HB1 ARG 4 10.236 8.934 8.934 31 1HG ARG 4 HG2 ARG 4 9.893 6.177 6.177 32 2HG ARG 4 HG1 ARG 4 9.245 7.534 7.534 33 1HD ARG 4 HD2 ARG 4 8.171 8.273 8.273 34 2HD ARG 4 HD1 ARG 4 8.483 6.599 6.599 35 HE ARG 4 HE ARG 4 6.745 5.933 5.933 36 1HH1 ARG 4 HH21 ARG 4 6.296 9.085 9.085 37 2HH1 ARG 4 HH22 ARG 4 5.983 9.244 9.244 38 1HH2 ARG 4 HH11 ARG 4 7.117 6.061 6.061 39 2HH2 ARG 4 HH12 ARG 4 6.446 7.531 7.531 40 H ARG 5 HN ARG 5 10.479 5.006 5.006 41 HA ARG 5 HA ARG 5 12.410 3.838 3.838 42 1HB ARG 5 HB2 ARG 5 9.822 2.943 2.943 43 2HB ARG 5 HB1 ARG 5 10.730 1.967 1.967 44 1HG ARG 5 HG2 ARG 5 10.128 3.257 3.257 45 2HG ARG 5 HG1 ARG 5 10.282 4.756 4.756 46 1HD ARG 5 HD2 ARG 5 7.900 4.160 4.160 47 2HD ARG 5 HD1 ARG 5 8.123 4.414 4.414 48 HE ARG 5 HE ARG 5 8.645 1.667 1.667 49 1HH1 ARG 5 HH11 ARG 5 5.947 3.258 3.258 50 2HH1 ARG 5 HH12 ARG 5 4.818 2.422 2.422 51 1HH2 ARG 5 HH21 ARG 5 7.268 0.899 0.899 52 2HH2 ARG 5 HH22 ARG 5 5.565 1.091 1.091 53 H PHE 6 HN PHE 6 11.828 3.909 3.909 54 HA PHE 6 HA PHE 6 13.286 1.376 1.376 55 1HB PHE 6 HB2 PHE 6 11.394 1.482 1.482 56 2HB PHE 6 HB1 PHE 6 11.532 3.220 3.220 57 HD1 PHE 6 HD1 PHE 6 13.732 0.269 0.269 58 HD2 PHE 6 HD2 PHE 6 11.954 3.852 3.852 59 HE1 PHE 6 HE1 PHE 6 14.862 -0.099 -0.099 60 HE2 PHE 6 HE2 PHE 6 13.084 3.489 3.489 61 HZ PHE 6 HZ PHE 6 14.551 1.510 1.510 62 H PHE 7 HN PHE 7 13.482 4.846 4.846 63 HA PHE 7 HA PHE 7 16.011 4.553 4.553 64 1HB PHE 7 HB2 PHE 7 15.594 6.716 6.716 65 2HB PHE 7 HB1 PHE 7 13.992 6.365 6.365 66 HD1 PHE 7 HD1 PHE 7 17.355 7.655 7.655 67 HD2 PHE 7 HD2 PHE 7 13.127 7.642 7.642 68 HE1 PHE 7 HE1 PHE 7 17.661 9.442 9.442 69 HE2 PHE 7 HE2 PHE 7 13.437 9.432 9.432 70 HZ PHE 7 HZ PHE 7 15.702 10.330 10.330 71 H LYS 8 HN LYS 8 15.040 5.163 5.163 72 HA LYS 8 HA LYS 8 17.328 6.331 6.331 73 1HB LYS 8 HB2 LYS 8 15.767 6.188 6.188 74 2HB LYS 8 HB1 LYS 8 14.933 4.922 4.922 75 1HG LYS 8 HG2 LYS 8 16.353 3.226 3.226 76 2HG LYS 8 HG1 LYS 8 17.363 4.439 4.439 77 1HD LYS 8 HD2 LYS 8 14.409 4.055 4.055 78 2HD LYS 8 HD1 LYS 8 15.704 3.381 3.381 79 1HE LYS 8 HE2 LYS 8 15.885 6.300 6.300 80 2HE LYS 8 HE1 LYS 8 14.607 5.785 5.785 81 1HZ LYS 8 HZ1 LYS 8 17.364 4.735 4.735 82 2HZ LYS 8 HZ3 LYS 8 16.915 6.177 6.177 83 3HZ LYS 8 HZ2 LYS 8 16.137 4.722 4.722 84 H ALA 9 HN ALA 9 16.546 2.851 2.851 85 HA ALA 9 HA ALA 9 19.036 1.878 1.878 86 1HB ALA 9 HB1 ALA 9 16.815 0.687 0.687 87 2HB ALA 9 HB3 ALA 9 17.169 0.595 0.595 88 3HB ALA 9 HB2 ALA 9 18.213 -0.227 -0.227 89 H LYS 10 HN LYS 10 18.023 3.050 3.050 90 HA LYS 10 HA LYS 10 20.107 1.897 1.897 91 1HB LYS 10 HB2 LYS 10 17.761 3.256 3.256 92 2HB LYS 10 HB1 LYS 10 18.965 4.438 4.438 93 1HG LYS 10 HG2 LYS 10 19.627 1.848 1.848 94 2HG LYS 10 HG1 LYS 10 17.987 2.309 2.309 95 1HD LYS 10 HD2 LYS 10 20.098 4.394 4.394 96 2HD LYS 10 HD1 LYS 10 20.117 3.122 3.122 97 1HE LYS 10 HE2 LYS 10 17.514 3.656 3.656 98 2HE LYS 10 HE1 LYS 10 18.047 5.230 5.230 99 1HZ LYS 10 HZ3 LYS 10 19.606 3.981 3.981 100 2HZ LYS 10 HZ2 LYS 10 18.128 4.710 4.710 101 3HZ LYS 10 HZ1 LYS 10 19.350 5.625 5.625 102 H LYS 11 HN LYS 11 19.657 5.327 5.327 103 HA LYS 11 HA LYS 11 22.139 6.332 6.332 104 1HB LYS 11 HB2 LYS 11 20.116 6.861 6.861 105 2HB LYS 11 HB1 LYS 11 21.644 7.738 7.738 106 1HG LYS 11 HG2 LYS 11 19.748 8.859 8.859 107 2HG LYS 11 HG1 LYS 11 21.300 8.726 8.726 108 1HD LYS 11 HD2 LYS 11 20.490 6.640 6.640 109 2HD LYS 11 HD1 LYS 11 18.915 6.889 6.889 110 1HE LYS 11 HE2 LYS 11 18.490 8.853 8.853 111 2HE LYS 11 HE1 LYS 11 20.199 9.040 9.040 112 1HZ LYS 11 HZ2 LYS 11 19.937 6.721 6.721 113 2HZ LYS 11 HZ1 LYS 11 18.265 7.019 7.019 114 3HZ LYS 11 HZ3 LYS 11 19.271 8.033 8.033 115 H LEU 12 HN LEU 12 21.325 4.318 4.318 116 HA LEU 12 HA LEU 12 23.757 4.699 4.699 117 1HB LEU 12 HB2 LEU 12 21.629 2.557 2.557 118 2HB LEU 12 HB1 LEU 12 22.911 2.619 2.619 119 HG LEU 12 HG LEU 12 20.951 4.865 4.865 120 1HD1 LEU 12 HD13 LEU 12 20.654 2.441 2.441 121 2HD1 LEU 12 HD12 LEU 12 20.746 3.780 3.780 122 3HD1 LEU 12 HD11 LEU 12 19.522 3.788 3.788 123 1HD2 LEU 12 HD23 LEU 12 23.458 4.662 4.662 124 2HD2 LEU 12 HD22 LEU 12 22.485 6.092 6.092 125 3HD2 LEU 12 HD21 LEU 12 22.132 5.107 5.107 126 H ILE 13 HN ILE 13 23.149 3.067 3.067 127 HA ILE 13 HA ILE 13 25.777 1.722 1.722 128 HB ILE 13 HB ILE 13 24.539 -0.322 -0.322 129 1HG1 ILE 13 HG12 ILE 13 22.219 -0.153 -0.153 130 2HG1 ILE 13 HG11 ILE 13 22.324 1.427 1.427 131 1HG2 ILE 13 HG23 ILE 13 25.636 -0.151 -0.151 132 2HG2 ILE 13 HG22 ILE 13 24.040 0.244 0.244 133 3HG2 ILE 13 HG21 ILE 13 24.322 -1.321 -1.321 134 1HD1 ILE 13 HD11 ILE 13 22.708 0.271 0.271 135 2HD1 ILE 13 HD13 ILE 13 22.400 -1.264 -1.264 136 3HD1 ILE 13 HD12 ILE 13 21.123 -0.053 -0.053 137 H GLU 14 HN GLU 14 25.235 3.945 3.945 138 HA GLU 14 HA GLU 14 25.265 2.927 2.927 139 1HB GLU 14 HB2 GLU 14 23.947 5.321 5.321 140 2HB GLU 14 HB1 GLU 14 23.988 5.040 5.040 141 1HG GLU 14 HG2 GLU 14 23.067 2.811 2.811 142 2HG GLU 14 HG1 GLU 14 21.966 4.166 4.166 143 1H CYS 1 HT2 CYS 1 4.266 5.021 5.021 144 2H CYS 1 HT1 CYS 1 2.841 5.025 5.025 145 3H CYS 1 HT3 CYS 1 4.292 5.584 5.584 146 HA CYS 1 HA CYS 1 4.291 7.538 7.538 147 1HB CYS 1 HB2 CYS 1 1.799 6.576 6.576 148 2HB CYS 1 HB1 CYS 1 1.603 7.995 7.995 149 H TYR 2 HN TYR 2 2.872 4.896 4.896 150 HA TYR 2 HA TYR 2 1.867 6.543 6.543 151 1HB TYR 2 HB2 TYR 2 0.779 4.566 4.566 152 2HB TYR 2 HB1 TYR 2 0.925 4.272 4.272 153 HD1 TYR 2 HD1 TYR 2 2.599 3.709 3.709 154 HD2 TYR 2 HD2 TYR 2 2.214 2.466 2.466 155 HE1 TYR 2 HE1 TYR 2 4.041 1.773 1.773 156 HE2 TYR 2 HE2 TYR 2 3.655 0.512 0.512 157 HH TYR 2 HH TYR 2 4.214 -0.750 -0.750 158 H LEU 3 HN LEU 3 4.587 4.744 4.744 159 HA LEU 3 HA LEU 3 6.043 3.979 3.979 160 1HB LEU 3 HB2 LEU 3 6.575 5.097 5.097 161 2HB LEU 3 HB1 LEU 3 7.940 5.123 5.123 162 HG LEU 3 HG LEU 3 7.501 2.709 2.709 163 1HD1 LEU 3 HD12 LEU 3 5.073 2.947 2.947 164 2HD1 LEU 3 HD11 LEU 3 5.780 2.764 2.764 165 3HD1 LEU 3 HD13 LEU 3 5.950 1.474 1.474 166 1HD2 LEU 3 HD22 LEU 3 8.772 3.951 3.951 167 2HD2 LEU 3 HD21 LEU 3 9.034 2.295 2.295 168 3HD2 LEU 3 HD23 LEU 3 7.859 2.626 2.626 169 H ARG 4 HN ARG 4 6.022 7.247 7.247 170 HA ARG 4 HA ARG 4 7.582 8.691 8.691 171 1HB ARG 4 HB2 ARG 4 5.694 10.494 10.494 172 2HB ARG 4 HB1 ARG 4 6.551 9.916 9.916 173 1HG ARG 4 HG2 ARG 4 4.276 9.841 9.841 174 2HG ARG 4 HG1 ARG 4 4.635 8.178 8.178 175 1HD ARG 4 HD2 ARG 4 3.387 8.272 8.272 176 2HD ARG 4 HD1 ARG 4 3.547 10.034 10.034 177 HE ARG 4 HE ARG 4 1.553 8.600 8.600 178 1HH1 ARG 4 HH11 ARG 4 2.686 11.604 11.604 179 2HH1 ARG 4 HH12 ARG 4 1.987 12.506 12.506 180 1HH2 ARG 4 HH21 ARG 4 0.988 9.694 9.694 181 2HH2 ARG 4 HH22 ARG 4 1.026 11.425 11.425 182 H ARG 5 HN ARG 5 4.516 7.147 7.147 183 HA ARG 5 HA ARG 5 4.244 8.484 8.484 184 1HB ARG 5 HB2 ARG 5 2.085 7.699 7.699 185 2HB ARG 5 HB1 ARG 5 2.463 7.543 7.543 186 1HG ARG 5 HG2 ARG 5 3.326 5.163 5.163 187 2HG ARG 5 HG1 ARG 5 2.339 5.403 5.403 188 1HD ARG 5 HD2 ARG 5 1.364 5.572 5.572 189 2HD ARG 5 HD1 ARG 5 0.995 4.280 4.280 190 HE ARG 5 HE ARG 5 0.185 6.439 6.439 191 1HH1 ARG 5 HH21 ARG 5 0.240 7.099 7.099 192 2HH1 ARG 5 HH22 ARG 5 -1.472 7.256 7.256 193 1HH2 ARG 5 HH11 ARG 5 -2.249 5.994 5.994 194 2HH2 ARG 5 HH12 ARG 5 -2.879 6.634 6.634 195 H PHE 6 HN PHE 6 5.197 5.348 5.348 196 HA PHE 6 HA PHE 6 5.665 4.211 4.211 197 1HB PHE 6 HB2 PHE 6 4.960 2.520 2.520 198 2HB PHE 6 HB1 PHE 6 5.521 3.347 3.347 199 HD1 PHE 6 HD1 PHE 6 7.153 2.242 2.242 200 HD2 PHE 6 HD2 PHE 6 7.038 1.910 1.910 201 HE1 PHE 6 HE1 PHE 6 9.113 0.752 0.752 202 HE2 PHE 6 HE2 PHE 6 8.998 0.421 0.421 203 HZ PHE 6 HZ PHE 6 10.055 -0.169 -0.169 204 H PHE 7 HN PHE 7 7.531 5.078 5.078 205 HA PHE 7 HA PHE 7 10.128 4.544 4.544 206 1HB PHE 7 HB2 PHE 7 8.781 6.010 6.010 207 2HB PHE 7 HB1 PHE 7 9.738 7.230 7.230 208 HD1 PHE 7 HD1 PHE 7 12.235 6.777 6.777 209 HD2 PHE 7 HD2 PHE 7 9.799 4.562 4.562 210 HE1 PHE 7 HE1 PHE 7 14.273 6.013 6.013 211 HE2 PHE 7 HE2 PHE 7 11.836 3.799 3.799 212 HZ PHE 7 HZ PHE 7 14.076 4.525 4.525 213 H LYS 8 HN LYS 8 8.067 7.129 7.129 214 HA LYS 8 HA LYS 8 9.776 8.852 8.852 215 1HB LYS 8 HB2 LYS 8 7.739 9.388 9.388 216 2HB LYS 8 HB1 LYS 8 7.138 7.855 7.855 217 1HG LYS 8 HG2 LYS 8 7.503 6.780 6.780 218 2HG LYS 8 HG1 LYS 8 8.534 8.081 8.081 219 1HD LYS 8 HD2 LYS 8 5.550 8.246 8.246 220 2HD LYS 8 HD1 LYS 8 6.339 8.253 8.253 221 1HE LYS 8 HE2 LYS 8 7.625 10.307 10.307 222 2HE LYS 8 HE1 LYS 8 5.912 10.478 10.478 223 1HZ LYS 8 HZ3 LYS 8 5.461 10.074 10.074 224 2HZ LYS 8 HZ2 LYS 8 7.114 10.370 10.370 225 3HZ LYS 8 HZ1 LYS 8 6.125 11.583 11.583 226 H ALA 9 HN ALA 9 9.166 5.503 5.503 227 HA ALA 9 HA ALA 9 10.893 5.686 5.686 228 1HB ALA 9 HB1 ALA 9 8.761 4.091 4.091 229 2HB ALA 9 HB3 ALA 9 10.162 3.019 3.019 230 3HB ALA 9 HB2 ALA 9 9.673 3.867 3.867 231 H LYS 10 HN LYS 10 10.967 4.476 4.476 232 HA LYS 10 HA LYS 10 13.286 2.918 2.918 233 1HB LYS 10 HB2 LYS 10 11.520 3.547 3.547 234 2HB LYS 10 HB1 LYS 10 12.633 4.861 4.861 235 1HG LYS 10 HG2 LYS 10 13.691 3.381 3.381 236 2HG LYS 10 HG1 LYS 10 14.329 2.702 2.702 237 1HD LYS 10 HD2 LYS 10 13.296 0.780 0.780 238 2HD LYS 10 HD1 LYS 10 11.781 1.601 1.601 239 1HE LYS 10 HE2 LYS 10 11.204 1.312 1.312 240 2HE LYS 10 HE1 LYS 10 12.466 2.492 2.492 241 1HZ LYS 10 HZ2 LYS 10 13.171 -0.310 -0.310 242 2HZ LYS 10 HZ1 LYS 10 12.649 0.125 0.125 243 3HZ LYS 10 HZ3 LYS 10 14.038 0.841 0.841 244 H LYS 11 HN LYS 11 12.994 6.452 6.452 245 HA LYS 11 HA LYS 11 15.655 7.136 7.136 246 1HB LYS 11 HB2 LYS 11 13.559 8.472 8.472 247 2HB LYS 11 HB1 LYS 11 15.003 9.274 9.274 248 1HG LYS 11 HG2 LYS 11 13.265 7.858 7.858 249 2HG LYS 11 HG1 LYS 11 12.673 9.383 9.383 250 1HD LYS 11 HD2 LYS 11 15.449 9.686 9.686 251 2HD LYS 11 HD1 LYS 11 14.611 9.009 9.009 252 1HE LYS 11 HE2 LYS 11 12.876 10.994 10.994 253 2HE LYS 11 HE1 LYS 11 14.497 11.716 11.716 254 1HZ LYS 11 HZ3 LYS 11 13.701 10.094 10.094 255 2HZ LYS 11 HZ2 LYS 11 13.145 11.696 11.696 256 3HZ LYS 11 HZ1 LYS 11 14.813 11.373 11.373 257 H LEU 12 HN LEU 12 14.103 6.119 6.119 258 HA LEU 12 HA LEU 12 16.290 6.807 6.807 259 1HB LEU 12 HB2 LEU 12 13.980 4.867 4.867 260 2HB LEU 12 HB1 LEU 12 15.015 5.366 5.366 261 HG LEU 12 HG LEU 12 13.136 7.086 7.086 262 1HD1 LEU 12 HD13 LEU 12 13.193 5.905 5.905 263 2HD1 LEU 12 HD12 LEU 12 12.817 7.629 7.629 264 3HD1 LEU 12 HD11 LEU 12 11.824 6.506 6.506 265 1HD2 LEU 12 HD21 LEU 12 15.375 7.887 7.887 266 2HD2 LEU 12 HD23 LEU 12 15.162 8.374 8.374 267 3HD2 LEU 12 HD22 LEU 12 14.055 8.970 8.970 268 H ILE 13 HN ILE 13 15.855 4.298 4.298 269 HA ILE 13 HA ILE 13 18.178 2.844 2.844 270 HB ILE 13 HB ILE 13 16.843 0.821 0.821 271 1HG1 ILE 13 HG12 ILE 13 14.532 2.103 2.103 272 2HG1 ILE 13 HG11 ILE 13 14.978 2.736 2.736 273 1HG2 ILE 13 HG21 ILE 13 17.479 1.553 1.553 274 2HG2 ILE 13 HG23 ILE 13 15.728 1.349 1.349 275 3HG2 ILE 13 HG22 ILE 13 16.749 0.017 0.017 276 1HD1 ILE 13 HD13 ILE 13 15.090 -0.160 -0.160 277 2HD1 ILE 13 HD12 ILE 13 13.491 0.419 0.419 278 3HD1 ILE 13 HD11 ILE 13 14.188 0.910 0.910 279 H GLU 14 HN GLU 14 18.428 4.748 4.748 280 HA GLU 14 HA GLU 14 19.012 3.187 3.187 281 1HB GLU 14 HB2 GLU 14 18.100 6.012 6.012 282 2HB GLU 14 HB1 GLU 14 18.514 5.378 5.378 283 1HG GLU 14 HG2 GLU 14 16.665 3.717 3.717 284 2HG GLU 14 HG1 GLU 14 16.008 5.274 5.274 285 1H CYS 1 HT2 CYS 1 22.565 -6.039 -6.039 286 2H CYS 1 HT1 CYS 1 23.650 -6.897 -6.897 287 3H CYS 1 HT3 CYS 1 22.003 -7.302 -7.302 288 HA CYS 1 HA CYS 1 22.375 -6.058 -6.058 289 1HB CYS 1 HB2 CYS 1 23.618 -3.965 -3.965 290 2HB CYS 1 HB1 CYS 1 24.564 -5.196 -5.196 291 H TYR 2 HN TYR 2 20.109 -6.454 -6.454 292 HA TYR 2 HA TYR 2 18.732 -3.934 -3.934 293 1HB TYR 2 HB2 TYR 2 19.604 -4.534 -4.534 294 2HB TYR 2 HB1 TYR 2 18.008 -5.300 -5.300 295 HD1 TYR 2 HD1 TYR 2 19.342 -2.315 -2.315 296 HD2 TYR 2 HD2 TYR 2 16.483 -3.848 -3.848 297 HE1 TYR 2 HE1 TYR 2 18.274 -0.112 -0.112 298 HE2 TYR 2 HE2 TYR 2 15.398 -1.628 -1.628 299 HH TYR 2 HH TYR 2 15.644 0.574 0.574 300 H LEU 3 HN LEU 3 16.351 -4.989 -4.989 301 HA LEU 3 HA LEU 3 14.558 -6.426 -6.426 302 1HB LEU 3 HB2 LEU 3 16.713 -8.190 -8.190 303 2HB LEU 3 HB1 LEU 3 15.163 -8.700 -8.700 304 HG LEU 3 HG LEU 3 16.224 -7.281 -7.281 305 1HD1 LEU 3 HD11 LEU 3 18.413 -8.211 -8.211 306 2HD1 LEU 3 HD13 LEU 3 18.557 -8.725 -8.725 307 3HD1 LEU 3 HD12 LEU 3 18.432 -7.010 -7.010 308 1HD2 LEU 3 HD21 LEU 3 15.789 -10.073 -10.073 309 2HD2 LEU 3 HD23 LEU 3 15.477 -9.253 -9.253 310 3HD2 LEU 3 HD22 LEU 3 17.089 -9.878 -9.878 311 H ARG 4 HN ARG 4 16.924 -7.109 -7.109 312 HA ARG 4 HA ARG 4 15.091 -6.987 -6.987 313 1HB ARG 4 HB2 ARG 4 17.218 -6.468 -6.468 314 2HB ARG 4 HB1 ARG 4 17.292 -7.904 -7.904 315 1HG ARG 4 HG2 ARG 4 19.206 -6.990 -6.990 316 2HG ARG 4 HG1 ARG 4 18.139 -5.943 -5.943 317 1HD ARG 4 HD2 ARG 4 18.765 -4.122 -4.122 318 2HD ARG 4 HD1 ARG 4 18.505 -4.964 -4.964 319 HE ARG 4 HE ARG 4 21.038 -4.828 -4.828 320 1HH1 ARG 4 HH11 ARG 4 19.857 -5.105 -5.105 321 2HH1 ARG 4 HH12 ARG 4 20.859 -6.424 -6.424 322 1HH2 ARG 4 HH21 ARG 4 22.018 -7.121 -7.121 323 2HH2 ARG 4 HH22 ARG 4 22.082 -7.562 -7.562 324 H ARG 5 HN ARG 5 17.259 -4.390 -4.390 325 HA ARG 5 HA ARG 5 15.861 -2.388 -2.388 326 1HB ARG 5 HB2 ARG 5 17.520 -0.877 -0.877 327 2HB ARG 5 HB1 ARG 5 18.308 -2.353 -2.353 328 1HG ARG 5 HG2 ARG 5 17.627 -3.091 -3.091 329 2HG ARG 5 HG1 ARG 5 17.889 -1.361 -1.361 330 1HD ARG 5 HD2 ARG 5 19.880 -3.166 -3.166 331 2HD ARG 5 HD1 ARG 5 19.980 -2.747 -2.747 332 HE ARG 5 HE ARG 5 19.747 -0.284 -0.284 333 1HH1 ARG 5 HH11 ARG 5 22.494 -1.118 -1.118 334 2HH1 ARG 5 HH12 ARG 5 23.306 -0.993 -0.993 335 1HH2 ARG 5 HH21 ARG 5 20.378 -0.921 -0.921 336 2HH2 ARG 5 HH22 ARG 5 22.108 -0.877 -0.877 337 H PHE 6 HN PHE 6 15.177 -3.938 -3.938 338 HA PHE 6 HA PHE 6 13.968 -1.551 -1.551 339 1HB PHE 6 HB2 PHE 6 15.393 -2.757 -2.757 340 2HB PHE 6 HB1 PHE 6 14.713 -4.291 -4.291 341 HD1 PHE 6 HD1 PHE 6 13.923 -1.135 -1.135 342 HD2 PHE 6 HD2 PHE 6 12.881 -5.235 -5.235 343 HE1 PHE 6 HE1 PHE 6 12.276 -1.002 -1.002 344 HE2 PHE 6 HE2 PHE 6 11.229 -5.113 -5.113 345 HZ PHE 6 HZ PHE 6 10.912 -2.990 -2.990 346 H PHE 7 HN PHE 7 13.102 -4.921 -4.921 347 HA PHE 7 HA PHE 7 10.309 -4.551 -4.551 348 1HB PHE 7 HB2 PHE 7 10.182 -6.795 -6.795 349 2HB PHE 7 HB1 PHE 7 11.920 -6.672 -6.672 350 HD1 PHE 7 HD1 PHE 7 13.359 -7.442 -7.442 351 HD2 PHE 7 HD2 PHE 7 9.374 -6.246 -6.246 352 HE1 PHE 7 HE1 PHE 7 13.763 -8.184 -8.184 353 HE2 PHE 7 HE2 PHE 7 9.780 -6.989 -6.989 354 HZ PHE 7 HZ PHE 7 11.973 -7.959 -7.959 355 H LYS 8 HN LYS 8 12.328 -4.130 -4.130 356 HA LYS 8 HA LYS 8 10.471 -4.025 -4.025 357 1HB LYS 8 HB2 LYS 8 13.082 -3.092 -3.092 358 2HB LYS 8 HB1 LYS 8 12.212 -1.801 -1.801 359 1HG LYS 8 HG2 LYS 8 11.452 -3.789 -3.789 360 2HG LYS 8 HG1 LYS 8 12.938 -4.529 -4.529 361 1HD LYS 8 HD2 LYS 8 13.304 -1.721 -1.721 362 2HD LYS 8 HD1 LYS 8 12.769 -2.710 -2.710 363 1HE LYS 8 HE2 LYS 8 14.893 -3.475 -3.475 364 2HE LYS 8 HE1 LYS 8 14.738 -4.225 -4.225 365 1HZ LYS 8 HZ3 LYS 8 15.290 -1.335 -1.335 366 2HZ LYS 8 HZ2 LYS 8 16.539 -2.481 -2.481 367 3HZ LYS 8 HZ1 LYS 8 15.462 -2.270 -2.270 368 H ALA 9 HN ALA 9 11.298 -1.365 -1.365 369 HA ALA 9 HA ALA 9 9.306 0.427 0.427 370 1HB ALA 9 HB3 ALA 9 11.524 0.470 0.470 371 2HB ALA 9 HB2 ALA 9 10.146 0.953 0.953 372 3HB ALA 9 HB1 ALA 9 10.537 1.851 1.851 373 H LYS 10 HN LYS 10 9.353 -2.109 -2.109 374 HA LYS 10 HA LYS 10 7.141 -1.388 -1.388 375 1HB LYS 10 HB2 LYS 10 8.992 -3.260 -3.260 376 2HB LYS 10 HB1 LYS 10 7.744 -4.185 -4.185 377 1HG LYS 10 HG2 LYS 10 7.147 -4.653 -4.653 378 2HG LYS 10 HG1 LYS 10 6.219 -3.173 -3.173 379 1HD LYS 10 HD2 LYS 10 7.543 -1.959 -1.959 380 2HD LYS 10 HD1 LYS 10 9.016 -2.765 -2.765 381 1HE LYS 10 HE2 LYS 10 8.509 -3.326 -3.326 382 2HE LYS 10 HE1 LYS 10 8.391 -4.770 -4.770 383 1HZ LYS 10 HZ1 LYS 10 6.002 -3.118 -3.118 384 2HZ LYS 10 HZ3 LYS 10 6.422 -3.983 -3.983 385 3HZ LYS 10 HZ2 LYS 10 6.150 -4.810 -4.810 386 H LYS 11 HN LYS 11 7.236 -3.690 -3.690 387 HA LYS 11 HA LYS 11 4.542 -4.248 -4.248 388 1HB LYS 11 HB2 LYS 11 5.196 -5.146 -5.146 389 2HB LYS 11 HB1 LYS 11 6.805 -4.739 -4.739 390 1HG LYS 11 HG2 LYS 11 6.863 -3.733 -3.733 391 2HG LYS 11 HG1 LYS 11 6.257 -2.402 -2.402 392 1HD LYS 11 HD2 LYS 11 3.909 -3.528 -3.528 393 2HD LYS 11 HD1 LYS 11 4.807 -4.108 -4.108 394 1HE LYS 11 HE2 LYS 11 4.845 -1.193 -1.193 395 2HE LYS 11 HE1 LYS 11 3.630 -1.847 -1.847 396 1HZ LYS 11 HZ2 LYS 11 5.680 -2.925 -2.925 397 2HZ LYS 11 HZ1 LYS 11 6.554 -1.703 -1.703 398 3HZ LYS 11 HZ3 LYS 11 5.337 -1.291 -1.291 399 H LEU 12 HN LEU 12 6.156 -1.237 -1.237 400 HA LEU 12 HA LEU 12 3.980 -0.087 -0.087 401 1HB LEU 12 HB2 LEU 12 6.504 0.856 0.856 402 2HB LEU 12 HB1 LEU 12 5.377 2.027 2.027 403 HG LEU 12 HG LEU 12 6.496 -0.338 -0.338 404 1HD1 LEU 12 HD12 LEU 12 7.869 1.954 1.954 405 2HD1 LEU 12 HD11 LEU 12 7.318 2.331 2.331 406 3HD1 LEU 12 HD13 LEU 12 8.301 0.896 0.896 407 1HD2 LEU 12 HD23 LEU 12 4.277 1.308 1.308 408 2HD2 LEU 12 HD22 LEU 12 5.069 0.268 0.268 409 3HD2 LEU 12 HD21 LEU 12 5.538 1.963 1.963 410 H ILE 13 HN ILE 13 4.317 -0.785 -0.785 411 HA ILE 13 HA ILE 13 2.100 1.065 1.065 412 HB ILE 13 HB ILE 13 3.415 1.406 1.406 413 1HG1 ILE 13 HG12 ILE 13 5.956 1.566 1.566 414 2HG1 ILE 13 HG11 ILE 13 5.429 0.144 0.144 415 1HG2 ILE 13 HG22 ILE 13 2.957 3.031 3.031 416 2HG2 ILE 13 HG21 ILE 13 4.678 2.804 2.804 417 3HG2 ILE 13 HG23 ILE 13 4.146 3.469 3.469 418 1HD1 ILE 13 HD11 ILE 13 4.541 0.129 0.129 419 2HD1 ILE 13 HD13 ILE 13 6.297 0.170 0.170 420 3HD1 ILE 13 HD12 ILE 13 5.374 -1.126 -1.126 421 H GLU 14 HN GLU 14 1.938 -1.630 -1.630 422 HA GLU 14 HA GLU 14 1.395 -2.737 -2.737 423 1HB GLU 14 HB2 GLU 14 2.486 -3.956 -3.956 424 2HB GLU 14 HB1 GLU 14 2.123 -4.885 -4.885 425 1HG GLU 14 HG2 GLU 14 3.806 -2.460 -2.460 426 2HG GLU 14 HG1 GLU 14 4.560 -3.825 -3.825 427 1H CYS 1 HT1 CYS 1 25.999 -3.940 -3.940 428 2H CYS 1 HT3 CYS 1 26.155 -5.224 -5.224 429 3H CYS 1 HT2 CYS 1 25.244 -5.430 -5.430 430 HA CYS 1 HA CYS 1 23.674 -5.131 -5.131 431 1HB CYS 1 HB2 CYS 1 25.850 -3.324 -3.324 432 2HB CYS 1 HB1 CYS 1 24.233 -2.689 -2.689 433 H TYR 2 HN TYR 2 24.646 -3.731 -3.731 434 HA TYR 2 HA TYR 2 22.403 -1.754 -1.754 435 1HB TYR 2 HB2 TYR 2 23.742 -0.449 -0.449 436 2HB TYR 2 HB1 TYR 2 24.994 -1.245 -1.245 437 HD1 TYR 2 HD1 TYR 2 26.571 -2.684 -2.684 438 HD2 TYR 2 HD2 TYR 2 23.027 -1.517 -1.517 439 HE1 TYR 2 HE1 TYR 2 27.434 -3.775 -3.775 440 HE2 TYR 2 HE2 TYR 2 23.878 -2.598 -2.598 441 HH TYR 2 HH TYR 2 25.985 -4.794 -4.794 442 H LEU 3 HN LEU 3 23.773 -4.654 -4.654 443 HA LEU 3 HA LEU 3 22.629 -4.998 -4.998 444 1HB LEU 3 HB2 LEU 3 23.339 -6.674 -6.674 445 2HB LEU 3 HB1 LEU 3 22.265 -7.437 -7.437 446 HG LEU 3 HG LEU 3 23.835 -6.922 -6.922 447 1HD1 LEU 3 HD12 LEU 3 24.644 -4.812 -4.812 448 2HD1 LEU 3 HD11 LEU 3 25.738 -5.886 -5.886 449 3HD1 LEU 3 HD13 LEU 3 25.858 -5.741 -5.741 450 1HD2 LEU 3 HD21 LEU 3 24.955 -8.298 -8.298 451 2HD2 LEU 3 HD23 LEU 3 24.263 -9.038 -9.038 452 3HD2 LEU 3 HD22 LEU 3 25.841 -8.254 -8.254 453 H ARG 4 HN ARG 4 21.109 -5.993 -5.993 454 HA ARG 4 HA ARG 4 18.545 -6.583 -6.583 455 1HB ARG 4 HB2 ARG 4 17.854 -5.928 -5.928 456 2HB ARG 4 HB1 ARG 4 19.372 -6.812 -6.812 457 1HG ARG 4 HG2 ARG 4 19.442 -3.824 -3.824 458 2HG ARG 4 HG1 ARG 4 19.090 -4.544 -4.544 459 1HD ARG 4 HD2 ARG 4 21.638 -4.580 -4.580 460 2HD ARG 4 HD1 ARG 4 21.390 -4.450 -4.450 461 HE ARG 4 HE ARG 4 21.713 -6.925 -6.925 462 1HH1 ARG 4 HH21 ARG 4 21.455 -5.609 -5.609 463 2HH1 ARG 4 HH22 ARG 4 20.666 -6.966 -6.966 464 1HH2 ARG 4 HH11 ARG 4 20.113 -8.604 -8.604 465 2HH2 ARG 4 HH12 ARG 4 19.906 -8.663 -8.663 466 H ARG 5 HN ARG 5 20.143 -3.491 -3.491 467 HA ARG 5 HA ARG 5 17.655 -1.979 -1.979 468 1HB ARG 5 HB2 ARG 5 18.880 -0.307 -0.307 469 2HB ARG 5 HB1 ARG 5 20.125 -1.514 -1.514 470 1HG ARG 5 HG2 ARG 5 20.912 -1.022 -1.022 471 2HG ARG 5 HG1 ARG 5 19.898 0.415 0.415 472 1HD ARG 5 HD2 ARG 5 21.946 -0.201 -0.201 473 2HD ARG 5 HD1 ARG 5 22.372 0.706 0.706 474 HE ARG 5 HE ARG 5 20.308 2.168 2.168 475 1HH1 ARG 5 HH21 ARG 5 22.963 2.742 2.742 476 2HH1 ARG 5 HH22 ARG 5 22.450 2.858 2.858 477 1HH2 ARG 5 HH11 ARG 5 19.380 1.349 1.349 478 2HH2 ARG 5 HH12 ARG 5 20.421 2.071 2.071 479 H PHE 6 HN PHE 6 20.425 -3.163 -3.163 480 HA PHE 6 HA PHE 6 19.740 -1.614 -1.614 481 1HB PHE 6 HB2 PHE 6 21.998 -1.805 -1.805 482 2HB PHE 6 HB1 PHE 6 21.927 -3.219 -3.219 483 HD1 PHE 6 HD1 PHE 6 21.865 -5.442 -5.442 484 HD2 PHE 6 HD2 PHE 6 21.897 -1.998 -1.998 485 HE1 PHE 6 HE1 PHE 6 22.412 -6.878 -6.878 486 HE2 PHE 6 HE2 PHE 6 22.442 -3.427 -3.427 487 HZ PHE 6 HZ PHE 6 22.701 -5.880 -5.880 488 H PHE 7 HN PHE 7 19.866 -5.100 -5.100 489 HA PHE 7 HA PHE 7 18.754 -5.946 -5.946 490 1HB PHE 7 HB2 PHE 7 19.204 -8.012 -8.012 491 2HB PHE 7 HB1 PHE 7 20.058 -7.099 -7.099 492 HD1 PHE 7 HD1 PHE 7 16.578 -8.313 -8.313 493 HD2 PHE 7 HD2 PHE 7 19.566 -7.552 -7.552 494 HE1 PHE 7 HE1 PHE 7 15.095 -9.289 -9.289 495 HE2 PHE 7 HE2 PHE 7 18.086 -8.521 -8.521 496 HZ PHE 7 HZ PHE 7 15.848 -9.393 -9.393 497 H LYS 8 HN LYS 8 17.328 -4.920 -4.920 498 HA LYS 8 HA LYS 8 14.732 -5.919 -5.919 499 1HB LYS 8 HB2 LYS 8 16.143 -3.727 -3.727 500 2HB LYS 8 HB1 LYS 8 14.489 -3.276 -3.276 501 1HG LYS 8 HG2 LYS 8 13.704 -5.366 -5.366 502 2HG LYS 8 HG1 LYS 8 15.365 -5.673 -5.673 503 1HD LYS 8 HD2 LYS 8 15.099 -3.115 -3.115 504 2HD LYS 8 HD1 LYS 8 13.428 -3.660 -3.660 505 1HE LYS 8 HE2 LYS 8 14.316 -5.684 -5.684 506 2HE LYS 8 HE1 LYS 8 15.888 -4.860 -4.860 507 1HZ LYS 8 HZ1 LYS 8 13.474 -3.359 -3.359 508 2HZ LYS 8 HZ3 LYS 8 14.138 -4.427 -4.427 509 3HZ LYS 8 HZ2 LYS 8 15.075 -3.148 -3.148 510 H ALA 9 HN ALA 9 15.887 -2.798 -2.798 511 HA ALA 9 HA ALA 9 13.582 -2.096 -2.096 512 1HB ALA 9 HB1 ALA 9 15.733 -0.803 -0.803 513 2HB ALA 9 HB3 ALA 9 16.440 -1.594 -1.594 514 3HB ALA 9 HB2 ALA 9 15.051 -0.524 -0.524 515 H LYS 10 HN LYS 10 16.300 -4.200 -4.200 516 HA LYS 10 HA LYS 10 15.859 -4.562 -4.562 517 1HB LYS 10 HB2 LYS 10 17.656 -5.313 -5.313 518 2HB LYS 10 HB1 LYS 10 16.704 -6.784 -6.784 519 1HG LYS 10 HG2 LYS 10 17.241 -5.706 -5.706 520 2HG LYS 10 HG1 LYS 10 18.720 -6.103 -6.103 521 1HD LYS 10 HD2 LYS 10 16.422 -8.016 -8.016 522 2HD LYS 10 HD1 LYS 10 17.512 -7.978 -7.978 523 1HE LYS 10 HE2 LYS 10 19.383 -8.052 -8.052 524 2HE LYS 10 HE1 LYS 10 18.073 -8.795 -8.795 525 1HZ LYS 10 HZ1 LYS 10 17.741 -10.026 -10.026 526 2HZ LYS 10 HZ3 LYS 10 19.415 -9.769 -9.769 527 3HZ LYS 10 HZ2 LYS 10 18.751 -10.640 -10.640 528 H LYS 11 HN LYS 11 15.014 -6.983 -6.983 529 HA LYS 11 HA LYS 11 13.319 -8.600 -8.600 530 1HB LYS 11 HB2 LYS 11 13.178 -7.589 -7.589 531 2HB LYS 11 HB1 LYS 11 12.149 -8.894 -8.894 532 1HG LYS 11 HG2 LYS 11 15.152 -8.969 -8.969 533 2HG LYS 11 HG1 LYS 11 14.351 -9.587 -9.587 534 1HD LYS 11 HD2 LYS 11 12.921 -11.021 -11.021 535 2HD LYS 11 HD1 LYS 11 13.944 -10.519 -10.519 536 1HE LYS 11 HE2 LYS 11 15.884 -11.296 -11.296 537 2HE LYS 11 HE1 LYS 11 14.576 -12.349 -12.349 538 1HZ LYS 11 HZ2 LYS 11 14.177 -12.587 -12.587 539 2HZ LYS 11 HZ1 LYS 11 15.839 -12.235 -12.235 540 3HZ LYS 11 HZ3 LYS 11 15.291 -13.581 -13.581 541 H LEU 12 HN LEU 12 12.578 -5.407 -5.407 542 HA LEU 12 HA LEU 12 9.761 -5.455 -5.455 543 1HB LEU 12 HB2 LEU 12 11.904 -3.381 -3.381 544 2HB LEU 12 HB1 LEU 12 10.251 -2.878 -2.878 545 HG LEU 12 HG LEU 12 11.127 -4.617 -4.617 546 1HD1 LEU 12 HD12 LEU 12 10.258 -1.735 -1.735 547 2HD1 LEU 12 HD11 LEU 12 10.148 -2.602 -2.602 548 3HD1 LEU 12 HD13 LEU 12 11.716 -2.371 -2.371 549 1HD2 LEU 12 HD23 LEU 12 8.491 -3.983 -3.983 550 2HD2 LEU 12 HD22 LEU 12 8.985 -5.388 -5.388 551 3HD2 LEU 12 HD21 LEU 12 8.573 -3.879 -3.879 552 H ILE 13 HN ILE 13 12.328 -5.260 -5.260 553 HA ILE 13 HA ILE 13 10.339 -4.709 -4.709 554 HB ILE 13 HB ILE 13 12.175 -3.123 -3.123 555 1HG1 ILE 13 HG12 ILE 13 12.996 -1.926 -1.926 556 2HG1 ILE 13 HG11 ILE 13 13.134 -3.626 -3.626 557 1HG2 ILE 13 HG21 ILE 13 9.854 -2.537 -2.537 558 2HG2 ILE 13 HG23 ILE 13 10.620 -2.160 -2.160 559 3HG2 ILE 13 HG22 ILE 13 11.051 -1.244 -1.244 560 1HD1 ILE 13 HD13 ILE 13 14.133 -2.892 -2.892 561 2HD1 ILE 13 HD12 ILE 13 15.064 -2.262 -2.262 562 3HD1 ILE 13 HD11 ILE 13 14.816 -4.000 -4.000 563 H GLU 14 HN GLU 14 11.460 -7.125 -7.125 564 HA GLU 14 HA GLU 14 13.263 -7.519 -7.519 565 1HB GLU 14 HB2 GLU 14 13.303 -8.651 -8.651 566 2HB GLU 14 HB1 GLU 14 14.393 -9.182 -9.182 567 1HG GLU 14 HG2 GLU 14 14.179 -6.260 -6.260 568 2HG GLU 14 HG1 GLU 14 15.078 -7.238 -7.238 Start of MODEL 3 1 1H CYS 1 HT1 CYS 1 3.165 3.950 3.950 2 2H CYS 1 HT3 CYS 1 2.285 5.394 5.394 3 3H CYS 1 HT2 CYS 1 3.983 5.437 5.437 4 HA CYS 1 HA CYS 1 3.393 5.758 5.758 5 1HB CYS 1 HB2 CYS 1 1.283 3.981 3.981 6 2HB CYS 1 HB1 CYS 1 1.956 3.414 3.414 7 H TYR 2 HN TYR 2 5.055 3.783 3.783 8 HA TYR 2 HA TYR 2 6.164 2.233 2.233 9 1HB TYR 2 HB2 TYR 2 6.363 0.398 0.398 10 2HB TYR 2 HB1 TYR 2 4.941 1.170 1.170 11 HD1 TYR 2 HD1 TYR 2 8.638 0.988 0.988 12 HD2 TYR 2 HD2 TYR 2 4.975 1.986 1.986 13 HE1 TYR 2 HE1 TYR 2 9.885 1.333 1.333 14 HE2 TYR 2 HE2 TYR 2 6.209 2.328 2.328 15 HH TYR 2 HH TYR 2 8.513 2.856 2.856 16 H LEU 3 HN LEU 3 6.772 4.377 4.377 17 HA LEU 3 HA LEU 3 9.500 4.226 4.226 18 1HB LEU 3 HB2 LEU 3 7.474 6.357 6.357 19 2HB LEU 3 HB1 LEU 3 9.143 6.900 6.900 20 HG LEU 3 HG LEU 3 9.493 5.638 5.638 21 1HD1 LEU 3 HD12 LEU 3 7.807 3.851 3.851 22 2HD1 LEU 3 HD11 LEU 3 6.560 4.950 4.950 23 3HD1 LEU 3 HD13 LEU 3 7.790 4.336 4.336 24 1HD2 LEU 3 HD21 LEU 3 7.208 7.562 7.562 25 2HD2 LEU 3 HD23 LEU 3 8.802 7.785 7.785 26 3HD2 LEU 3 HD22 LEU 3 7.591 6.806 6.806 27 H ARG 4 HN ARG 4 7.909 6.075 6.075 28 HA ARG 4 HA ARG 4 10.077 6.965 6.965 29 1HB ARG 4 HB2 ARG 4 7.707 5.671 5.671 30 2HB ARG 4 HB1 ARG 4 8.502 7.192 7.192 31 1HG ARG 4 HG2 ARG 4 6.717 8.140 8.140 32 2HG ARG 4 HG1 ARG 4 7.565 7.715 7.715 33 1HD ARG 4 HD2 ARG 4 6.301 5.602 5.602 34 2HD ARG 4 HD1 ARG 4 5.528 5.928 5.928 35 HE ARG 4 HE ARG 4 4.742 7.121 7.121 36 1HH1 ARG 4 HH21 ARG 4 4.999 7.538 7.538 37 2HH1 ARG 4 HH22 ARG 4 4.002 8.954 8.954 38 1HH2 ARG 4 HH11 ARG 4 3.572 9.073 9.073 39 2HH2 ARG 4 HH12 ARG 4 3.194 9.821 9.821 40 H ARG 5 HN ARG 5 8.556 3.781 3.781 41 HA ARG 5 HA ARG 5 10.299 2.581 2.581 42 1HB ARG 5 HB2 ARG 5 8.303 1.503 1.503 43 2HB ARG 5 HB1 ARG 5 8.074 1.840 1.840 44 1HG ARG 5 HG2 ARG 5 10.170 -0.113 -0.113 45 2HG ARG 5 HG1 ARG 5 8.482 -0.616 -0.616 46 1HD ARG 5 HD2 ARG 5 8.700 -0.855 -0.855 47 2HD ARG 5 HD1 ARG 5 9.149 0.860 0.860 48 HE ARG 5 HE ARG 5 11.423 -0.233 -0.233 49 1HH1 ARG 5 HH21 ARG 5 9.406 -0.844 -0.844 50 2HH1 ARG 5 HH22 ARG 5 10.631 -1.680 -1.680 51 1HH2 ARG 5 HH11 ARG 5 13.006 -1.443 -1.443 52 2HH2 ARG 5 HH12 ARG 5 12.666 -2.022 -2.022 53 H PHE 6 HN PHE 6 10.173 2.616 2.616 54 HA PHE 6 HA PHE 6 12.461 0.826 0.826 55 1HB PHE 6 HB2 PHE 6 11.316 0.668 0.668 56 2HB PHE 6 HB1 PHE 6 10.473 2.176 2.176 57 HD1 PHE 6 HD1 PHE 6 13.337 0.594 0.594 58 HD2 PHE 6 HD2 PHE 6 11.358 4.303 4.303 59 HE1 PHE 6 HE1 PHE 6 14.694 1.700 1.700 60 HE2 PHE 6 HE2 PHE 6 12.713 5.415 5.415 61 HZ PHE 6 HZ PHE 6 14.395 4.123 4.123 62 H PHE 7 HN PHE 7 11.945 4.326 4.326 63 HA PHE 7 HA PHE 7 14.587 5.039 5.039 64 1HB PHE 7 HB2 PHE 7 12.074 6.214 6.214 65 2HB PHE 7 HB1 PHE 7 13.337 7.099 7.099 66 HD1 PHE 7 HD1 PHE 7 11.549 7.084 7.084 67 HD2 PHE 7 HD2 PHE 7 15.609 7.234 7.234 68 HE1 PHE 7 HE1 PHE 7 12.243 8.144 8.144 69 HE2 PHE 7 HE2 PHE 7 16.303 8.289 8.289 70 HZ PHE 7 HZ PHE 7 14.620 8.750 8.750 71 H LYS 8 HN LYS 8 12.998 4.781 4.781 72 HA LYS 8 HA LYS 8 14.857 5.890 5.890 73 1HB LYS 8 HB2 LYS 8 12.792 3.943 3.943 74 2HB LYS 8 HB1 LYS 8 14.134 3.358 3.358 75 1HG LYS 8 HG2 LYS 8 14.185 5.600 5.600 76 2HG LYS 8 HG1 LYS 8 12.708 6.014 6.014 77 1HD LYS 8 HD2 LYS 8 12.665 3.413 3.413 78 2HD LYS 8 HD1 LYS 8 12.707 4.849 4.849 79 1HE LYS 8 HE2 LYS 8 10.497 5.159 5.159 80 2HE LYS 8 HE1 LYS 8 10.835 5.335 5.335 81 1HZ LYS 8 HZ3 LYS 8 11.130 2.754 2.754 82 2HZ LYS 8 HZ2 LYS 8 10.094 2.934 2.934 83 3HZ LYS 8 HZ1 LYS 8 9.590 3.434 3.434 84 H ALA 9 HN ALA 9 15.201 2.997 2.997 85 HA ALA 9 HA ALA 9 17.647 2.131 2.131 86 1HB ALA 9 HB3 ALA 9 15.921 0.614 0.614 87 2HB ALA 9 HB2 ALA 9 16.367 1.260 1.260 88 3HB ALA 9 HB1 ALA 9 17.544 0.347 0.347 89 H LYS 10 HN LYS 10 16.652 3.808 3.808 90 HA LYS 10 HA LYS 10 19.069 3.940 3.940 91 1HB LYS 10 HB2 LYS 10 16.597 4.718 4.718 92 2HB LYS 10 HB1 LYS 10 17.199 6.230 6.230 93 1HG LYS 10 HG2 LYS 10 17.324 6.052 6.052 94 2HG LYS 10 HG1 LYS 10 18.850 6.438 6.438 95 1HD LYS 10 HD2 LYS 10 19.785 4.421 4.421 96 2HD LYS 10 HD1 LYS 10 18.263 3.554 3.554 97 1HE LYS 10 HE2 LYS 10 17.689 3.811 3.811 98 2HE LYS 10 HE1 LYS 10 18.362 5.452 5.452 99 1HZ LYS 10 HZ1 LYS 10 20.596 4.448 4.448 100 2HZ LYS 10 HZ3 LYS 10 19.896 2.908 2.908 101 3HZ LYS 10 HZ2 LYS 10 19.775 3.986 3.986 102 H LYS 11 HN LYS 11 17.742 6.479 6.479 103 HA LYS 11 HA LYS 11 19.901 8.198 8.198 104 1HB LYS 11 HB2 LYS 11 18.017 7.214 7.214 105 2HB LYS 11 HB1 LYS 11 19.019 8.657 8.657 106 1HG LYS 11 HG2 LYS 11 17.283 8.377 8.377 107 2HG LYS 11 HG1 LYS 11 16.534 8.842 8.842 108 1HD LYS 11 HD2 LYS 11 17.961 10.762 10.762 109 2HD LYS 11 HD1 LYS 11 18.967 10.236 10.236 110 1HE LYS 11 HE2 LYS 11 16.069 10.547 10.547 111 2HE LYS 11 HE1 LYS 11 16.976 12.043 12.043 112 1HZ LYS 11 HZ3 LYS 11 18.731 11.053 11.053 113 2HZ LYS 11 HZ2 LYS 11 17.566 9.909 9.909 114 3HZ LYS 11 HZ1 LYS 11 17.304 11.561 11.561 115 H LEU 12 HN LEU 12 19.502 5.121 5.121 116 HA LEU 12 HA LEU 12 21.753 5.355 5.355 117 1HB LEU 12 HB2 LEU 12 20.181 3.055 3.055 118 2HB LEU 12 HB1 LEU 12 21.457 2.814 2.814 119 HG LEU 12 HG LEU 12 18.976 4.522 4.522 120 1HD1 LEU 12 HD13 LEU 12 18.614 2.072 2.072 121 2HD1 LEU 12 HD12 LEU 12 19.879 1.975 1.975 122 3HD1 LEU 12 HD11 LEU 12 18.392 2.864 2.864 123 1HD2 LEU 12 HD23 LEU 12 21.564 4.567 4.567 124 2HD2 LEU 12 HD22 LEU 12 20.177 5.625 5.625 125 3HD2 LEU 12 HD21 LEU 12 20.309 4.110 4.110 126 H ILE 13 HN ILE 13 21.656 5.030 5.030 127 HA ILE 13 HA ILE 13 24.522 4.277 4.277 128 HB ILE 13 HB ILE 13 23.715 2.874 2.874 129 1HG1 ILE 13 HG12 ILE 13 21.619 1.616 1.616 130 2HG1 ILE 13 HG11 ILE 13 21.277 3.281 3.281 131 1HG2 ILE 13 HG23 ILE 13 24.993 2.143 2.143 132 2HG2 ILE 13 HG22 ILE 13 23.428 1.716 1.716 133 3HG2 ILE 13 HG21 ILE 13 23.997 0.907 0.907 134 1HD1 ILE 13 HD12 ILE 13 22.085 2.726 2.726 135 2HD1 ILE 13 HD11 ILE 13 20.462 2.246 2.246 136 3HD1 ILE 13 HD13 ILE 13 20.961 3.932 3.932 137 H GLU 14 HN GLU 14 23.399 6.762 6.762 138 HA GLU 14 HA GLU 14 23.806 7.262 7.262 139 1HB GLU 14 HB2 GLU 14 22.147 8.563 8.563 140 2HB GLU 14 HB1 GLU 14 22.282 9.201 9.201 141 1HG GLU 14 HG2 GLU 14 21.679 6.326 6.326 142 2HG GLU 14 HG1 GLU 14 20.407 7.368 7.368 143 1H CYS 1 HT2 CYS 1 0.839 5.387 5.387 144 2H CYS 1 HT1 CYS 1 -0.106 5.253 5.253 145 3H CYS 1 HT3 CYS 1 0.017 3.939 3.939 146 HA CYS 1 HA CYS 1 1.591 3.208 3.208 147 1HB CYS 1 HB2 CYS 1 1.726 6.153 6.153 148 2HB CYS 1 HB1 CYS 1 2.726 4.930 4.930 149 H TYR 2 HN TYR 2 2.225 3.271 3.271 150 HA TYR 2 HA TYR 2 5.073 3.644 3.644 151 1HB TYR 2 HB2 TYR 2 5.282 5.710 5.710 152 2HB TYR 2 HB1 TYR 2 3.681 5.976 5.976 153 HD1 TYR 2 HD1 TYR 2 5.349 4.579 4.579 154 HD2 TYR 2 HD2 TYR 2 1.908 6.550 6.550 155 HE1 TYR 2 HE1 TYR 2 4.435 4.807 4.807 156 HE2 TYR 2 HE2 TYR 2 0.978 6.800 6.800 157 HH TYR 2 HH TYR 2 2.860 6.071 6.071 158 H LEU 3 HN LEU 3 2.041 3.235 3.235 159 HA LEU 3 HA LEU 3 2.841 2.254 2.254 160 1HB LEU 3 HB2 LEU 3 0.740 1.620 1.620 161 2HB LEU 3 HB1 LEU 3 0.939 0.462 0.462 162 HG LEU 3 HG LEU 3 0.638 2.228 2.228 163 1HD1 LEU 3 HD12 LEU 3 1.702 3.973 3.973 164 2HD1 LEU 3 HD11 LEU 3 0.113 4.120 4.120 165 3HD1 LEU 3 HD13 LEU 3 0.322 4.511 4.511 166 1HD2 LEU 3 HD22 LEU 3 -1.371 1.115 1.115 167 2HD2 LEU 3 HD21 LEU 3 -1.704 2.763 2.763 168 3HD2 LEU 3 HD23 LEU 3 -1.478 2.421 2.421 169 H ARG 4 HN ARG 4 2.361 0.286 0.286 170 HA ARG 4 HA ARG 4 3.488 -2.143 -2.143 171 1HB ARG 4 HB2 ARG 4 4.400 -0.677 -0.677 172 2HB ARG 4 HB1 ARG 4 3.873 -2.343 -2.343 173 1HG ARG 4 HG2 ARG 4 1.944 -1.562 -1.562 174 2HG ARG 4 HG1 ARG 4 1.593 -1.051 -1.051 175 1HD ARG 4 HD2 ARG 4 1.378 0.701 0.701 176 2HD ARG 4 HD1 ARG 4 2.175 1.223 1.223 177 HE ARG 4 HE ARG 4 4.265 1.164 1.164 178 1HH1 ARG 4 HH21 ARG 4 4.028 -1.434 -1.434 179 2HH1 ARG 4 HH22 ARG 4 3.892 -0.954 -0.954 180 1HH2 ARG 4 HH11 ARG 4 3.075 2.333 2.333 181 2HH2 ARG 4 HH12 ARG 4 3.355 1.177 1.177 182 H ARG 5 HN ARG 5 5.220 0.862 0.862 183 HA ARG 5 HA ARG 5 7.866 -0.295 -0.295 184 1HB ARG 5 HB2 ARG 5 7.963 1.509 1.509 185 2HB ARG 5 HB1 ARG 5 6.602 2.285 2.285 186 1HG ARG 5 HG2 ARG 5 9.066 2.095 2.095 187 2HG ARG 5 HG1 ARG 5 9.155 3.166 3.166 188 1HD ARG 5 HD2 ARG 5 6.653 3.716 3.716 189 2HD ARG 5 HD1 ARG 5 7.779 3.597 3.597 190 HE ARG 5 HE ARG 5 9.082 5.051 5.051 191 1HH1 ARG 5 HH21 ARG 5 7.435 5.427 5.427 192 2HH1 ARG 5 HH22 ARG 5 7.036 7.096 7.096 193 1HH2 ARG 5 HH11 ARG 5 8.120 7.165 7.165 194 2HH2 ARG 5 HH12 ARG 5 7.423 8.079 8.079 195 H PHE 6 HN PHE 6 6.007 2.079 2.079 196 HA PHE 6 HA PHE 6 7.763 2.170 2.170 197 1HB PHE 6 HB2 PHE 6 6.238 3.872 3.872 198 2HB PHE 6 HB1 PHE 6 4.981 2.851 2.851 199 HD1 PHE 6 HD1 PHE 6 6.991 3.252 3.252 200 HD2 PHE 6 HD2 PHE 6 3.230 2.213 2.213 201 HE1 PHE 6 HE1 PHE 6 6.013 3.019 3.019 202 HE2 PHE 6 HE2 PHE 6 2.241 1.972 1.972 203 HZ PHE 6 HZ PHE 6 3.628 2.371 2.371 204 H PHE 7 HN PHE 7 4.914 0.141 0.141 205 HA PHE 7 HA PHE 7 4.842 -1.243 -1.243 206 1HB PHE 7 HB2 PHE 7 3.516 -1.157 -1.157 207 2HB PHE 7 HB1 PHE 7 4.001 -2.832 -2.832 208 HD1 PHE 7 HD1 PHE 7 3.773 -3.579 -3.579 209 HD2 PHE 7 HD2 PHE 7 1.432 -0.583 -0.583 210 HE1 PHE 7 HE1 PHE 7 1.993 -3.859 -3.859 211 HE2 PHE 7 HE2 PHE 7 -0.362 -0.866 -0.866 212 HZ PHE 7 HZ PHE 7 -0.086 -2.505 -2.505 213 H LYS 8 HN LYS 8 6.211 -2.292 -2.292 214 HA LYS 8 HA LYS 8 7.325 -4.713 -4.713 215 1HB LYS 8 HB2 LYS 8 7.792 -2.573 -2.573 216 2HB LYS 8 HB1 LYS 8 9.152 -3.667 -3.667 217 1HG LYS 8 HG2 LYS 8 7.454 -4.319 -4.319 218 2HG LYS 8 HG1 LYS 8 7.842 -5.562 -5.562 219 1HD LYS 8 HD2 LYS 8 5.589 -3.780 -3.780 220 2HD LYS 8 HD1 LYS 8 5.302 -4.845 -4.845 221 1HE LYS 8 HE2 LYS 8 6.634 -6.317 -6.317 222 2HE LYS 8 HE1 LYS 8 5.159 -5.551 -5.551 223 1HZ LYS 8 HZ1 LYS 8 4.093 -6.333 -6.333 224 2HZ LYS 8 HZ3 LYS 8 5.441 -7.345 -7.345 225 3HZ LYS 8 HZ2 LYS 8 4.425 -7.528 -7.528 226 H ALA 9 HN ALA 9 8.279 -1.529 -1.529 227 HA ALA 9 HA ALA 9 10.954 -2.297 -2.297 228 1HB ALA 9 HB1 ALA 9 9.264 0.106 0.106 229 2HB ALA 9 HB3 ALA 9 10.377 0.143 0.143 230 3HB ALA 9 HB2 ALA 9 10.997 -0.072 -0.072 231 H LYS 10 HN LYS 10 7.756 -1.826 -1.826 232 HA LYS 10 HA LYS 10 8.510 -1.911 -1.911 233 1HB LYS 10 HB2 LYS 10 6.340 -1.365 -1.365 234 2HB LYS 10 HB1 LYS 10 5.879 -2.835 -2.835 235 1HG LYS 10 HG2 LYS 10 7.175 -0.972 -0.972 236 2HG LYS 10 HG1 LYS 10 5.773 -0.234 -0.234 237 1HD LYS 10 HD2 LYS 10 5.434 -3.013 -3.013 238 2HD LYS 10 HD1 LYS 10 5.565 -1.760 -1.760 239 1HE LYS 10 HE2 LYS 10 3.747 -0.482 -0.482 240 2HE LYS 10 HE1 LYS 10 3.573 -1.816 -1.816 241 1HZ LYS 10 HZ1 LYS 10 3.336 -3.314 -3.314 242 2HZ LYS 10 HZ3 LYS 10 3.230 -1.935 -1.935 243 3HZ LYS 10 HZ2 LYS 10 2.049 -2.224 -2.224 244 H LYS 11 HN LYS 11 6.759 -4.345 -4.345 245 HA LYS 11 HA LYS 11 6.850 -6.500 -6.500 246 1HB LYS 11 HB2 LYS 11 6.894 -6.120 -6.120 247 2HB LYS 11 HB1 LYS 11 7.145 -7.753 -7.753 248 1HG LYS 11 HG2 LYS 11 4.878 -6.103 -6.103 249 2HG LYS 11 HG1 LYS 11 4.700 -6.911 -6.911 250 1HD LYS 11 HD2 LYS 11 5.867 -8.636 -8.636 251 2HD LYS 11 HD1 LYS 11 4.239 -8.084 -8.084 252 1HE LYS 11 HE2 LYS 11 3.670 -9.919 -9.919 253 2HE LYS 11 HE1 LYS 11 3.869 -8.740 -8.740 254 1HZ LYS 11 HZ3 LYS 11 6.225 -9.350 -9.350 255 2HZ LYS 11 HZ2 LYS 11 5.979 -10.536 -10.536 256 3HZ LYS 11 HZ1 LYS 11 5.224 -10.680 -10.680 257 H LEU 12 HN LEU 12 9.483 -5.163 -5.163 258 HA LEU 12 HA LEU 12 11.295 -7.350 -7.350 259 1HB LEU 12 HB2 LEU 12 11.458 -4.405 -4.405 260 2HB LEU 12 HB1 LEU 12 12.936 -5.361 -5.361 261 HG LEU 12 HG LEU 12 10.621 -6.086 -6.086 262 1HD1 LEU 12 HD13 LEU 12 12.192 -3.883 -3.883 263 2HD1 LEU 12 HD12 LEU 12 13.161 -5.105 -5.105 264 3HD1 LEU 12 HD11 LEU 12 11.500 -4.805 -4.805 265 1HD2 LEU 12 HD22 LEU 12 12.288 -7.866 -7.866 266 2HD2 LEU 12 HD21 LEU 12 12.141 -7.673 -7.673 267 3HD2 LEU 12 HD23 LEU 12 13.516 -6.973 -6.973 268 H ILE 13 HN ILE 13 10.226 -5.069 -5.069 269 HA ILE 13 HA ILE 13 12.255 -6.102 -6.102 270 HB ILE 13 HB ILE 13 12.445 -3.592 -3.592 271 1HG1 ILE 13 HG12 ILE 13 12.473 -2.503 -2.503 272 2HG1 ILE 13 HG11 ILE 13 10.954 -3.384 -3.384 273 1HG2 ILE 13 HG21 ILE 13 13.902 -5.243 -5.243 274 2HG2 ILE 13 HG23 ILE 13 14.055 -3.540 -3.540 275 3HG2 ILE 13 HG22 ILE 13 14.523 -4.086 -4.086 276 1HD1 ILE 13 HD11 ILE 13 11.589 -1.843 -1.843 277 2HD1 ILE 13 HD13 ILE 13 11.307 -0.864 -0.864 278 3HD1 ILE 13 HD12 ILE 13 10.066 -1.985 -1.985 279 H GLU 14 HN GLU 14 9.630 -6.793 -6.793 280 HA GLU 14 HA GLU 14 8.579 -5.460 -5.460 281 1HB GLU 14 HB2 GLU 14 7.242 -6.367 -6.367 282 2HB GLU 14 HB1 GLU 14 6.354 -5.777 -5.777 283 1HG GLU 14 HG2 GLU 14 8.596 -4.121 -4.121 284 2HG GLU 14 HG1 GLU 14 7.097 -4.132 -4.132 285 1H CYS 1 HT1 CYS 1 22.594 -4.780 -4.780 286 2H CYS 1 HT3 CYS 1 24.262 -4.491 -4.491 287 3H CYS 1 HT2 CYS 1 23.218 -3.248 -3.248 288 HA CYS 1 HA CYS 1 23.737 -2.763 -2.763 289 1HB CYS 1 HB2 CYS 1 23.497 -5.739 -5.739 290 2HB CYS 1 HB1 CYS 1 23.128 -4.857 -4.857 291 H TYR 2 HN TYR 2 21.219 -3.339 -3.339 292 HA TYR 2 HA TYR 2 19.228 -2.908 -2.908 293 1HB TYR 2 HB2 TYR 2 17.744 -4.265 -4.265 294 2HB TYR 2 HB1 TYR 2 19.272 -5.005 -5.005 295 HD1 TYR 2 HD1 TYR 2 20.001 -4.948 -4.948 296 HD2 TYR 2 HD2 TYR 2 16.730 -2.486 -2.486 297 HE1 TYR 2 HE1 TYR 2 19.568 -4.300 -4.300 298 HE2 TYR 2 HE2 TYR 2 16.289 -1.835 -1.835 299 HH TYR 2 HH TYR 2 17.293 -1.778 -1.778 300 H LEU 3 HN LEU 3 20.816 -1.628 -1.628 301 HA LEU 3 HA LEU 3 18.922 0.070 0.070 302 1HB LEU 3 HB2 LEU 3 21.824 -0.044 -0.044 303 2HB LEU 3 HB1 LEU 3 21.204 1.542 1.542 304 HG LEU 3 HG LEU 3 20.232 0.681 0.681 305 1HD1 LEU 3 HD13 LEU 3 19.410 -1.440 -1.440 306 2HD1 LEU 3 HD12 LEU 3 21.056 -2.072 -2.072 307 3HD1 LEU 3 HD11 LEU 3 20.203 -1.697 -1.697 308 1HD2 LEU 3 HD23 LEU 3 22.799 0.963 0.963 309 2HD2 LEU 3 HD22 LEU 3 22.157 0.089 0.089 310 3HD2 LEU 3 HD21 LEU 3 22.845 -0.799 -0.799 311 H ARG 4 HN ARG 4 21.276 0.992 0.992 312 HA ARG 4 HA ARG 4 20.236 3.415 3.415 313 1HB ARG 4 HB2 ARG 4 21.308 2.853 2.853 314 2HB ARG 4 HB1 ARG 4 22.271 2.189 2.189 315 1HG ARG 4 HG2 ARG 4 20.141 0.518 0.518 316 2HG ARG 4 HG1 ARG 4 21.730 0.670 0.670 317 1HD ARG 4 HD2 ARG 4 21.005 -0.562 -0.562 318 2HD ARG 4 HD1 ARG 4 21.984 -1.235 -1.235 319 HE ARG 4 HE ARG 4 23.026 0.353 0.353 320 1HH1 ARG 4 HH21 ARG 4 23.434 -0.589 -0.589 321 2HH1 ARG 4 HH22 ARG 4 24.854 0.371 0.371 322 1HH2 ARG 4 HH11 ARG 4 24.718 1.876 1.876 323 2HH2 ARG 4 HH12 ARG 4 25.583 1.763 1.763 324 H ARG 5 HN ARG 5 18.929 0.183 0.183 325 HA ARG 5 HA ARG 5 16.882 1.046 1.046 326 1HB ARG 5 HB2 ARG 5 17.797 -1.435 -1.435 327 2HB ARG 5 HB1 ARG 5 16.129 -1.414 -1.414 328 1HG ARG 5 HG2 ARG 5 16.809 -1.705 -1.705 329 2HG ARG 5 HG1 ARG 5 17.845 -0.280 -0.280 330 1HD ARG 5 HD2 ARG 5 19.417 -1.984 -1.984 331 2HD ARG 5 HD1 ARG 5 19.421 -1.904 -1.904 332 HE ARG 5 HE ARG 5 17.617 -3.738 -3.738 333 1HH1 ARG 5 HH21 ARG 5 18.794 -3.181 -3.181 334 2HH1 ARG 5 HH22 ARG 5 19.298 -4.809 -4.809 335 1HH2 ARG 5 HH11 ARG 5 18.792 -5.867 -5.867 336 2HH2 ARG 5 HH12 ARG 5 19.294 -6.330 -6.330 337 H PHE 6 HN PHE 6 16.904 -0.137 -0.137 338 HA PHE 6 HA PHE 6 14.116 0.402 0.402 339 1HB PHE 6 HB2 PHE 6 15.105 -1.129 -1.129 340 2HB PHE 6 HB1 PHE 6 16.558 -0.156 -0.156 341 HD1 PHE 6 HD1 PHE 6 16.764 1.528 1.528 342 HD2 PHE 6 HD2 PHE 6 13.017 -0.443 -0.443 343 HE1 PHE 6 HE1 PHE 6 15.872 2.531 2.531 344 HE2 PHE 6 HE2 PHE 6 12.123 0.560 0.560 345 HZ PHE 6 HZ PHE 6 13.542 2.058 2.058 346 H PHE 7 HN PHE 7 17.110 2.194 2.194 347 HA PHE 7 HA PHE 7 16.051 4.395 4.395 348 1HB PHE 7 HB2 PHE 7 18.444 3.584 3.584 349 2HB PHE 7 HB1 PHE 7 18.103 5.248 5.248 350 HD1 PHE 7 HD1 PHE 7 19.988 3.570 3.570 351 HD2 PHE 7 HD2 PHE 7 16.796 6.443 6.443 352 HE1 PHE 7 HE1 PHE 7 20.683 4.359 4.359 353 HE2 PHE 7 HE2 PHE 7 17.484 7.230 7.230 354 HZ PHE 7 HZ PHE 7 19.434 6.194 6.194 355 H LYS 8 HN LYS 8 16.763 4.267 4.267 356 HA LYS 8 HA LYS 8 15.470 6.675 6.675 357 1HB LYS 8 HB2 LYS 8 16.745 4.458 4.458 358 2HB LYS 8 HB1 LYS 8 15.236 4.746 4.746 359 1HG LYS 8 HG2 LYS 8 15.880 7.183 7.183 360 2HG LYS 8 HG1 LYS 8 17.453 6.736 6.736 361 1HD LYS 8 HD2 LYS 8 16.693 5.019 5.019 362 2HD LYS 8 HD1 LYS 8 16.742 6.719 6.719 363 1HE LYS 8 HE2 LYS 8 18.995 5.524 5.524 364 2HE LYS 8 HE1 LYS 8 18.963 5.372 5.372 365 1HZ LYS 8 HZ1 LYS 8 18.287 7.913 7.913 366 2HZ LYS 8 HZ3 LYS 8 19.241 7.761 7.761 367 3HZ LYS 8 HZ2 LYS 8 19.905 7.412 7.412 368 H ALA 9 HN ALA 9 14.165 3.705 3.705 369 HA ALA 9 HA ALA 9 11.560 4.095 4.095 370 1HB ALA 9 HB3 ALA 9 12.977 1.903 1.903 371 2HB ALA 9 HB2 ALA 9 12.120 2.044 2.044 372 3HB ALA 9 HB1 ALA 9 11.214 1.876 1.876 373 H LYS 10 HN LYS 10 13.130 4.381 4.381 374 HA LYS 10 HA LYS 10 10.807 4.768 4.768 375 1HB LYS 10 HB2 LYS 10 13.431 4.302 4.302 376 2HB LYS 10 HB1 LYS 10 13.357 6.024 6.024 377 1HG LYS 10 HG2 LYS 10 11.153 4.611 4.611 378 2HG LYS 10 HG1 LYS 10 12.719 3.985 3.985 379 1HD LYS 10 HD2 LYS 10 12.343 6.938 6.938 380 2HD LYS 10 HD1 LYS 10 11.641 6.083 6.083 381 1HE LYS 10 HE2 LYS 10 14.452 5.373 5.373 382 2HE LYS 10 HE1 LYS 10 14.192 6.982 6.982 383 1HZ LYS 10 HZ3 LYS 10 12.863 4.592 4.592 384 2HZ LYS 10 HZ2 LYS 10 14.440 5.009 5.009 385 3HZ LYS 10 HZ1 LYS 10 13.154 6.088 6.088 386 H LYS 11 HN LYS 11 13.249 7.163 7.163 387 HA LYS 11 HA LYS 11 11.952 9.494 9.494 388 1HB LYS 11 HB2 LYS 11 13.899 8.651 8.651 389 2HB LYS 11 HB1 LYS 11 13.087 10.175 10.175 390 1HG LYS 11 HG2 LYS 11 14.502 9.521 9.521 391 2HG LYS 11 HG1 LYS 11 15.150 10.543 10.543 392 1HD LYS 11 HD2 LYS 11 13.860 12.312 12.312 393 2HD LYS 11 HD1 LYS 11 12.440 11.300 11.300 394 1HE LYS 11 HE2 LYS 11 12.779 11.566 11.566 395 2HE LYS 11 HE1 LYS 11 14.266 10.611 10.611 396 1HZ LYS 11 HZ2 LYS 11 15.264 12.771 12.771 397 2HZ LYS 11 HZ1 LYS 11 13.931 13.544 13.544 398 3HZ LYS 11 HZ3 LYS 11 15.013 12.660 12.660 399 H LEU 12 HN LEU 12 11.202 7.402 7.402 400 HA LEU 12 HA LEU 12 9.519 9.205 9.205 401 1HB LEU 12 HB2 LEU 12 10.086 6.278 6.278 402 2HB LEU 12 HB1 LEU 12 8.655 6.808 6.808 403 HG LEU 12 HG LEU 12 11.485 7.804 7.804 404 1HD1 LEU 12 HD11 LEU 12 9.713 5.814 5.814 405 2HD1 LEU 12 HD13 LEU 12 10.833 6.772 6.772 406 3HD1 LEU 12 HD12 LEU 12 11.446 5.734 5.734 407 1HD2 LEU 12 HD22 LEU 12 8.793 8.657 8.657 408 2HD2 LEU 12 HD21 LEU 12 10.187 9.646 9.646 409 3HD2 LEU 12 HD23 LEU 12 10.177 8.758 8.758 410 H ILE 13 HN ILE 13 9.000 7.473 7.473 411 HA ILE 13 HA ILE 13 6.179 8.343 8.343 412 HB ILE 13 HB ILE 13 5.628 5.969 5.969 413 1HG1 ILE 13 HG12 ILE 13 7.303 4.422 4.422 414 2HG1 ILE 13 HG11 ILE 13 8.428 5.692 5.692 415 1HG2 ILE 13 HG23 ILE 13 4.948 6.947 6.947 416 2HG2 ILE 13 HG22 ILE 13 6.421 6.265 6.265 417 3HG2 ILE 13 HG21 ILE 13 5.181 5.199 5.199 418 1HD1 ILE 13 HD11 ILE 13 6.640 4.229 4.229 419 2HD1 ILE 13 HD13 ILE 13 8.330 3.820 3.820 420 3HD1 ILE 13 HD12 ILE 13 7.910 5.388 5.388 421 H GLU 14 HN GLU 14 8.190 9.426 9.426 422 HA GLU 14 HA GLU 14 7.436 8.591 8.591 423 1HB GLU 14 HB2 GLU 14 10.108 9.267 9.267 424 2HB GLU 14 HB1 GLU 14 9.857 9.008 9.008 425 1HG GLU 14 HG2 GLU 14 8.870 6.954 6.954 426 2HG GLU 14 HG1 GLU 14 10.592 7.009 7.009 427 1H CYS 1 HT3 CYS 1 28.126 -3.518 -3.518 428 2H CYS 1 HT2 CYS 1 28.345 -4.919 -4.919 429 3H CYS 1 HT1 CYS 1 28.213 -5.036 -5.036 430 HA CYS 1 HA CYS 1 26.116 -5.704 -5.704 431 1HB CYS 1 HB2 CYS 1 26.888 -3.540 -3.540 432 2HB CYS 1 HB1 CYS 1 25.179 -3.495 -3.495 433 H TYR 2 HN TYR 2 26.183 -5.255 -5.255 434 HA TYR 2 HA TYR 2 24.217 -3.153 -3.153 435 1HB TYR 2 HB2 TYR 2 26.905 -2.698 -2.698 436 2HB TYR 2 HB1 TYR 2 26.427 -3.353 -3.353 437 HD1 TYR 2 HD1 TYR 2 24.673 -1.338 -1.338 438 HD2 TYR 2 HD2 TYR 2 25.991 -1.606 -1.606 439 HE1 TYR 2 HE1 TYR 2 23.479 0.741 0.741 440 HE2 TYR 2 HE2 TYR 2 24.802 0.493 0.493 441 HH TYR 2 HH TYR 2 23.360 2.041 2.041 442 H LEU 3 HN LEU 3 24.293 -3.570 -3.570 443 HA LEU 3 HA LEU 3 23.495 -5.075 -5.075 444 1HB LEU 3 HB2 LEU 3 24.997 -6.885 -6.885 445 2HB LEU 3 HB1 LEU 3 24.328 -7.433 -7.433 446 HG LEU 3 HG LEU 3 25.618 -5.408 -5.408 447 1HD1 LEU 3 HD13 LEU 3 26.508 -5.429 -5.429 448 2HD1 LEU 3 HD12 LEU 3 27.850 -5.563 -5.563 449 3HD1 LEU 3 HD11 LEU 3 26.740 -4.200 -4.200 450 1HD2 LEU 3 HD22 LEU 3 26.086 -7.892 -7.892 451 2HD2 LEU 3 HD21 LEU 3 27.473 -6.821 -6.821 452 3HD2 LEU 3 HD23 LEU 3 27.258 -7.704 -7.704 453 H ARG 4 HN ARG 4 23.251 -6.816 -6.816 454 HA ARG 4 HA ARG 4 20.718 -7.958 -7.958 455 1HB ARG 4 HB2 ARG 4 20.633 -7.697 -7.697 456 2HB ARG 4 HB1 ARG 4 21.982 -8.602 -8.602 457 1HG ARG 4 HG2 ARG 4 23.397 -7.181 -7.181 458 2HG ARG 4 HG1 ARG 4 22.764 -5.877 -5.877 459 1HD ARG 4 HD2 ARG 4 21.656 -4.966 -4.966 460 2HD ARG 4 HD1 ARG 4 20.956 -6.539 -6.539 461 HE ARG 4 HE ARG 4 23.272 -5.371 -5.371 462 1HH1 ARG 4 HH21 ARG 4 21.739 -7.545 -7.545 463 2HH1 ARG 4 HH22 ARG 4 22.823 -8.892 -8.892 464 1HH2 ARG 4 HH11 ARG 4 24.816 -7.450 -7.450 465 2HH2 ARG 4 HH12 ARG 4 24.568 -8.837 -8.837 466 H ARG 5 HN ARG 5 21.517 -4.748 -4.748 467 HA ARG 5 HA ARG 5 18.667 -4.028 -4.028 468 1HB ARG 5 HB2 ARG 5 19.460 -2.122 -2.122 469 2HB ARG 5 HB1 ARG 5 20.518 -3.449 -3.449 470 1HG ARG 5 HG2 ARG 5 21.991 -2.655 -2.655 471 2HG ARG 5 HG1 ARG 5 21.099 -1.143 -1.143 472 1HD ARG 5 HD2 ARG 5 22.898 -2.511 -2.511 473 2HD ARG 5 HD1 ARG 5 22.956 -0.836 -0.836 474 HE ARG 5 HE ARG 5 21.198 -1.843 -1.843 475 1HH1 ARG 5 HH11 ARG 5 22.490 0.956 0.956 476 2HH1 ARG 5 HH12 ARG 5 21.038 1.899 1.899 477 1HH2 ARG 5 HH21 ARG 5 18.930 -0.850 -0.850 478 2HH2 ARG 5 HH22 ARG 5 19.024 0.877 0.877 479 H PHE 6 HN PHE 6 21.278 -3.711 -3.711 480 HA PHE 6 HA PHE 6 20.017 -1.443 -1.443 481 1HB PHE 6 HB2 PHE 6 22.344 -1.258 -1.258 482 2HB PHE 6 HB1 PHE 6 22.570 -2.978 -2.978 483 HD1 PHE 6 HD1 PHE 6 20.915 -0.163 -0.163 484 HD2 PHE 6 HD2 PHE 6 23.519 -3.554 -3.554 485 HE1 PHE 6 HE1 PHE 6 21.263 0.250 0.250 486 HE2 PHE 6 HE2 PHE 6 23.867 -3.151 -3.151 487 HZ PHE 6 HZ PHE 6 22.740 -1.244 -1.244 488 H PHE 7 HN PHE 7 20.834 -4.849 -4.849 489 HA PHE 7 HA PHE 7 19.787 -5.123 -5.123 490 1HB PHE 7 HB2 PHE 7 21.359 -6.521 -6.521 491 2HB PHE 7 HB1 PHE 7 19.846 -7.412 -7.412 492 HD1 PHE 7 HD1 PHE 7 18.622 -7.641 -7.641 493 HD2 PHE 7 HD2 PHE 7 22.836 -7.310 -7.310 494 HE1 PHE 7 HE1 PHE 7 19.087 -8.729 -8.729 495 HE2 PHE 7 HE2 PHE 7 23.308 -8.405 -8.405 496 HZ PHE 7 HZ PHE 7 21.434 -9.115 -9.115 497 H LYS 8 HN LYS 8 18.462 -5.877 -5.877 498 HA LYS 8 HA LYS 8 16.099 -7.145 -7.145 499 1HB LYS 8 HB2 LYS 8 17.199 -5.498 -5.498 500 2HB LYS 8 HB1 LYS 8 15.498 -5.088 -5.088 501 1HG LYS 8 HG2 LYS 8 14.998 -7.573 -7.573 502 2HG LYS 8 HG1 LYS 8 16.676 -7.816 -7.816 503 1HD LYS 8 HD2 LYS 8 15.275 -5.733 -5.733 504 2HD LYS 8 HD1 LYS 8 14.600 -7.350 -7.350 505 1HE LYS 8 HE2 LYS 8 17.573 -7.151 -7.151 506 2HE LYS 8 HE1 LYS 8 16.682 -6.489 -6.489 507 1HZ LYS 8 HZ3 LYS 8 15.754 -9.031 -9.031 508 2HZ LYS 8 HZ2 LYS 8 17.213 -9.066 -9.066 509 3HZ LYS 8 HZ1 LYS 8 15.794 -8.493 -8.493 510 H ALA 9 HN ALA 9 16.800 -3.718 -3.718 511 HA ALA 9 HA ALA 9 14.078 -3.122 -3.122 512 1HB ALA 9 HB2 ALA 9 16.571 -1.747 -1.747 513 2HB ALA 9 HB1 ALA 9 15.794 -1.063 -1.063 514 3HB ALA 9 HB3 ALA 9 14.915 -1.148 -1.148 515 H LYS 10 HN LYS 10 17.152 -3.984 -3.984 516 HA LYS 10 HA LYS 10 16.682 -3.241 -3.241 517 1HB LYS 10 HB2 LYS 10 18.727 -4.133 -4.133 518 2HB LYS 10 HB1 LYS 10 18.238 -5.637 -5.637 519 1HG LYS 10 HG2 LYS 10 19.826 -4.717 -4.717 520 2HG LYS 10 HG1 LYS 10 18.260 -4.323 -4.323 521 1HD LYS 10 HD2 LYS 10 18.380 -2.117 -2.117 522 2HD LYS 10 HD1 LYS 10 20.062 -2.510 -2.510 523 1HE LYS 10 HE2 LYS 10 20.183 -2.930 -2.930 524 2HE LYS 10 HE1 LYS 10 18.794 -1.828 -1.828 525 1HZ LYS 10 HZ3 LYS 10 20.729 -0.893 -0.893 526 2HZ LYS 10 HZ2 LYS 10 21.476 -1.158 -1.158 527 3HZ LYS 10 HZ1 LYS 10 20.130 -0.128 -0.128 528 H LYS 11 HN LYS 11 16.455 -6.479 -6.479 529 HA LYS 11 HA LYS 11 15.392 -7.939 -7.939 530 1HB LYS 11 HB2 LYS 11 15.177 -7.930 -7.930 531 2HB LYS 11 HB1 LYS 11 14.007 -8.933 -8.933 532 1HG LYS 11 HG2 LYS 11 16.791 -9.141 -9.141 533 2HG LYS 11 HG1 LYS 11 16.520 -9.766 -9.766 534 1HD LYS 11 HD2 LYS 11 14.374 -10.837 -10.837 535 2HD LYS 11 HD1 LYS 11 15.445 -10.734 -10.734 536 1HE LYS 11 HE2 LYS 11 16.351 -12.688 -12.688 537 2HE LYS 11 HE1 LYS 11 17.089 -11.726 -11.726 538 1HZ LYS 11 HZ3 LYS 11 15.069 -11.981 -11.981 539 2HZ LYS 11 HZ2 LYS 11 14.364 -12.914 -12.914 540 3HZ LYS 11 HZ1 LYS 11 15.713 -13.502 -13.502 541 H LEU 12 HN LEU 12 13.694 -5.630 -5.630 542 HA LEU 12 HA LEU 12 11.044 -6.204 -6.204 543 1HB LEU 12 HB2 LEU 12 12.527 -3.959 -3.959 544 2HB LEU 12 HB1 LEU 12 10.888 -3.643 -3.643 545 HG LEU 12 HG LEU 12 11.721 -5.849 -5.849 546 1HD1 LEU 12 HD12 LEU 12 11.484 -3.320 -3.320 547 2HD1 LEU 12 HD11 LEU 12 9.757 -3.659 -3.659 548 3HD1 LEU 12 HD13 LEU 12 10.766 -4.586 -4.586 549 1HD2 LEU 12 HD22 LEU 12 9.322 -5.404 -5.404 550 2HD2 LEU 12 HD21 LEU 12 9.882 -6.877 -6.877 551 3HD2 LEU 12 HD23 LEU 12 8.973 -5.676 -5.676 552 H ILE 13 HN ILE 13 13.643 -4.899 -4.899 553 HA ILE 13 HA ILE 13 11.797 -4.080 -4.080 554 HB ILE 13 HB ILE 13 13.371 -1.969 -1.969 555 1HG1 ILE 13 HG12 ILE 13 13.512 -1.466 -1.466 556 2HG1 ILE 13 HG11 ILE 13 14.114 -3.110 -3.110 557 1HG2 ILE 13 HG21 ILE 13 10.821 -2.342 -2.342 558 2HG2 ILE 13 HG23 ILE 13 11.498 -1.711 -1.711 559 3HG2 ILE 13 HG22 ILE 13 11.603 -0.761 -0.761 560 1HD1 ILE 13 HD12 ILE 13 15.282 -1.764 -1.764 561 2HD1 ILE 13 HD11 ILE 13 15.365 -0.612 -0.612 562 3HD1 ILE 13 HD13 ILE 13 16.081 -2.214 -2.214 563 H GLU 14 HN GLU 14 13.370 -6.298 -6.298 564 HA GLU 14 HA GLU 14 15.438 -5.652 -5.652 565 1HB GLU 14 HB2 GLU 14 15.410 -7.555 -7.555 566 2HB GLU 14 HB1 GLU 14 16.713 -7.498 -7.498 567 1HG GLU 14 HG2 GLU 14 15.869 -4.942 -4.942 568 2HG GLU 14 HG1 GLU 14 16.806 -6.061 -6.061 Start of MODEL 4 1 1H CYS 1 HT2 CYS 1 3.403 4.929 4.929 2 2H CYS 1 HT1 CYS 1 2.460 6.328 6.328 3 3H CYS 1 HT3 CYS 1 4.055 6.455 6.455 4 HA CYS 1 HA CYS 1 4.433 6.988 6.988 5 1HB CYS 1 HB2 CYS 1 1.965 5.284 5.284 6 2HB CYS 1 HB1 CYS 1 2.924 5.733 5.733 7 H TYR 2 HN TYR 2 6.115 5.511 5.511 8 HA TYR 2 HA TYR 2 7.217 3.786 3.786 9 1HB TYR 2 HB2 TYR 2 6.352 1.735 1.735 10 2HB TYR 2 HB1 TYR 2 5.069 2.664 2.664 11 HD1 TYR 2 HD1 TYR 2 8.507 1.381 1.381 12 HD2 TYR 2 HD2 TYR 2 4.606 2.305 2.305 13 HE1 TYR 2 HE1 TYR 2 9.167 0.498 0.498 14 HE2 TYR 2 HE2 TYR 2 5.250 1.419 1.419 15 HH TYR 2 HH TYR 2 7.010 -0.319 -0.319 16 H LEU 3 HN LEU 3 6.969 4.742 4.742 17 HA LEU 3 HA LEU 3 9.379 3.854 3.854 18 1HB LEU 3 HB2 LEU 3 7.650 6.232 6.232 19 2HB LEU 3 HB1 LEU 3 9.234 6.362 6.362 20 HG LEU 3 HG LEU 3 8.781 4.334 4.334 21 1HD1 LEU 3 HD11 LEU 3 7.258 3.375 3.375 22 2HD1 LEU 3 HD13 LEU 3 5.993 4.420 4.420 23 3HD1 LEU 3 HD12 LEU 3 6.700 3.161 3.161 24 1HD2 LEU 3 HD22 LEU 3 6.785 6.573 6.573 25 2HD2 LEU 3 HD21 LEU 3 8.141 6.248 6.248 26 3HD2 LEU 3 HD23 LEU 3 6.699 5.234 5.234 27 H ARG 4 HN ARG 4 8.692 6.429 6.429 28 HA ARG 4 HA ARG 4 11.244 7.668 7.668 29 1HB ARG 4 HB2 ARG 4 9.415 7.218 7.218 30 2HB ARG 4 HB1 ARG 4 10.317 8.669 8.669 31 1HG ARG 4 HG2 ARG 4 8.374 9.448 9.448 32 2HG ARG 4 HG1 ARG 4 8.631 8.306 8.306 33 1HD ARG 4 HD2 ARG 4 7.334 6.581 6.581 34 2HD ARG 4 HD1 ARG 4 7.120 7.686 7.686 35 HE ARG 4 HE ARG 4 5.742 7.879 7.879 36 1HH1 ARG 4 HH21 ARG 4 6.903 9.519 9.519 37 2HH1 ARG 4 HH22 ARG 4 5.759 10.812 10.812 38 1HH2 ARG 4 HH11 ARG 4 4.242 9.559 9.559 39 2HH2 ARG 4 HH12 ARG 4 4.255 10.834 10.834 40 H ARG 5 HN ARG 5 9.768 4.891 4.891 41 HA ARG 5 HA ARG 5 12.154 4.327 4.327 42 1HB ARG 5 HB2 ARG 5 10.756 2.825 2.825 43 2HB ARG 5 HB1 ARG 5 9.514 3.761 3.761 44 1HG ARG 5 HG2 ARG 5 10.087 2.032 2.032 45 2HG ARG 5 HG1 ARG 5 10.556 1.026 1.026 46 1HD ARG 5 HD2 ARG 5 7.956 2.452 2.452 47 2HD ARG 5 HD1 ARG 5 8.018 1.122 1.122 48 HE ARG 5 HE ARG 5 9.215 0.569 0.569 49 1HH1 ARG 5 HH11 ARG 5 6.254 0.955 0.955 50 2HH1 ARG 5 HH12 ARG 5 5.651 -0.648 -0.648 51 1HH2 ARG 5 HH21 ARG 5 8.572 -1.788 -1.788 52 2HH2 ARG 5 HH22 ARG 5 6.962 -2.200 -2.200 53 H PHE 6 HN PHE 6 11.394 3.819 3.819 54 HA PHE 6 HA PHE 6 13.051 1.358 1.358 55 1HB PHE 6 HB2 PHE 6 11.462 0.844 0.844 56 2HB PHE 6 HB1 PHE 6 10.754 2.441 2.441 57 HD1 PHE 6 HD1 PHE 6 13.205 0.442 0.442 58 HD2 PHE 6 HD2 PHE 6 11.078 4.151 4.151 59 HE1 PHE 6 HE1 PHE 6 13.915 1.010 1.010 60 HE2 PHE 6 HE2 PHE 6 11.788 4.726 4.726 61 HZ PHE 6 HZ PHE 6 13.216 3.160 3.160 62 H PHE 7 HN PHE 7 12.813 4.503 4.503 63 HA PHE 7 HA PHE 7 15.371 4.211 4.211 64 1HB PHE 7 HB2 PHE 7 14.810 6.215 6.215 65 2HB PHE 7 HB1 PHE 7 13.220 5.702 5.702 66 HD1 PHE 7 HD1 PHE 7 16.203 7.674 7.674 67 HD2 PHE 7 HD2 PHE 7 11.945 7.128 7.128 68 HE1 PHE 7 HE1 PHE 7 16.007 9.754 9.754 69 HE2 PHE 7 HE2 PHE 7 11.753 9.208 9.208 70 HZ PHE 7 HZ PHE 7 13.782 10.521 10.521 71 H LYS 8 HN LYS 8 14.411 5.213 5.213 72 HA LYS 8 HA LYS 8 16.551 6.929 6.929 73 1HB LYS 8 HB2 LYS 8 14.489 5.337 5.337 74 2HB LYS 8 HB1 LYS 8 15.921 5.549 5.549 75 1HG LYS 8 HG2 LYS 8 15.725 8.058 8.058 76 2HG LYS 8 HG1 LYS 8 14.050 7.627 7.627 77 1HD LYS 8 HD2 LYS 8 15.259 6.859 6.859 78 2HD LYS 8 HD1 LYS 8 14.678 8.506 8.506 79 1HE LYS 8 HE2 LYS 8 12.944 6.121 6.121 80 2HE LYS 8 HE1 LYS 8 12.972 6.818 6.818 81 1HZ LYS 8 HZ2 LYS 8 12.542 8.386 8.386 82 2HZ LYS 8 HZ1 LYS 8 11.291 7.860 7.860 83 3HZ LYS 8 HZ3 LYS 8 12.445 8.963 8.963 84 H ALA 9 HN ALA 9 16.199 3.431 3.431 85 HA ALA 9 HA ALA 9 18.906 3.082 3.082 86 1HB ALA 9 HB2 ALA 9 16.470 1.547 1.547 87 2HB ALA 9 HB1 ALA 9 17.913 0.631 0.631 88 3HB ALA 9 HB3 ALA 9 17.739 1.281 1.281 89 H LYS 10 HN LYS 10 17.424 3.347 3.347 90 HA LYS 10 HA LYS 10 19.211 1.776 1.776 91 1HB LYS 10 HB2 LYS 10 16.863 3.008 3.008 92 2HB LYS 10 HB1 LYS 10 17.937 4.202 4.202 93 1HG LYS 10 HG2 LYS 10 17.826 2.945 2.945 94 2HG LYS 10 HG1 LYS 10 18.906 1.837 1.837 95 1HD LYS 10 HD2 LYS 10 16.681 0.905 0.905 96 2HD LYS 10 HD1 LYS 10 15.930 1.665 1.665 97 1HE LYS 10 HE2 LYS 10 18.356 0.015 0.015 98 2HE LYS 10 HE1 LYS 10 16.874 -0.857 -0.857 99 1HZ LYS 10 HZ2 LYS 10 16.727 1.374 1.374 100 2HZ LYS 10 HZ1 LYS 10 17.255 -0.146 -0.146 101 3HZ LYS 10 HZ3 LYS 10 15.716 0.016 0.016 102 H LYS 11 HN LYS 11 19.055 5.345 5.345 103 HA LYS 11 HA LYS 11 21.356 6.033 6.033 104 1HB LYS 11 HB2 LYS 11 20.761 8.046 8.046 105 2HB LYS 11 HB1 LYS 11 19.513 7.201 7.201 106 1HG LYS 11 HG2 LYS 11 20.665 8.351 8.351 107 2HG LYS 11 HG1 LYS 11 21.422 6.761 6.761 108 1HD LYS 11 HD2 LYS 11 23.020 7.872 7.872 109 2HD LYS 11 HD1 LYS 11 22.518 9.353 9.353 110 1HE LYS 11 HE2 LYS 11 23.223 8.369 8.369 111 2HE LYS 11 HE1 LYS 11 23.804 6.932 6.932 112 1HZ LYS 11 HZ2 LYS 11 24.637 9.699 9.699 113 2HZ LYS 11 HZ1 LYS 11 25.528 8.690 8.690 114 3HZ LYS 11 HZ3 LYS 11 25.299 8.249 8.249 115 H LEU 12 HN LEU 12 21.109 4.592 4.592 116 HA LEU 12 HA LEU 12 23.787 4.957 4.957 117 1HB LEU 12 HB2 LEU 12 21.563 3.008 3.008 118 2HB LEU 12 HB1 LEU 12 23.121 2.858 2.858 119 HG LEU 12 HG LEU 12 21.435 5.377 5.377 120 1HD1 LEU 12 HD12 LEU 12 20.731 3.148 3.148 121 2HD1 LEU 12 HD11 LEU 12 21.911 3.771 3.771 122 3HD1 LEU 12 HD13 LEU 12 20.516 4.752 4.752 123 1HD2 LEU 12 HD22 LEU 12 24.174 4.882 4.882 124 2HD2 LEU 12 HD21 LEU 12 23.267 6.374 6.374 125 3HD2 LEU 12 HD23 LEU 12 23.348 5.162 5.162 126 H ILE 13 HN ILE 13 22.535 3.042 3.042 127 HA ILE 13 HA ILE 13 25.148 1.681 1.681 128 HB ILE 13 HB ILE 13 23.703 -0.406 -0.406 129 1HG1 ILE 13 HG12 ILE 13 21.728 -0.260 -0.260 130 2HG1 ILE 13 HG11 ILE 13 21.750 1.416 1.416 131 1HG2 ILE 13 HG22 ILE 13 25.096 0.368 0.368 132 2HG2 ILE 13 HG21 ILE 13 23.521 -0.070 -0.070 133 3HG2 ILE 13 HG23 ILE 13 24.439 -1.245 -1.245 134 1HD1 ILE 13 HD13 ILE 13 21.866 -0.655 -0.655 135 2HD1 ILE 13 HD12 ILE 13 20.328 -0.447 -0.447 136 3HD1 ILE 13 HD11 ILE 13 21.067 0.917 0.917 137 H GLU 14 HN GLU 14 24.230 3.813 3.813 138 HA GLU 14 HA GLU 14 23.750 2.616 2.616 139 1HB GLU 14 HB2 GLU 14 22.717 5.112 5.112 140 2HB GLU 14 HB1 GLU 14 22.401 4.699 4.699 141 1HG GLU 14 HG2 GLU 14 21.858 2.593 2.593 142 2HG GLU 14 HG1 GLU 14 20.759 3.969 3.969 143 1H CYS 1 HT2 CYS 1 3.572 7.868 7.868 144 2H CYS 1 HT1 CYS 1 3.209 9.406 9.406 145 3H CYS 1 HT3 CYS 1 4.483 9.219 9.219 146 HA CYS 1 HA CYS 1 2.837 10.042 10.042 147 1HB CYS 1 HB2 CYS 1 0.475 9.451 9.451 148 2HB CYS 1 HB1 CYS 1 1.216 10.010 10.010 149 H TYR 2 HN TYR 2 2.670 9.236 9.236 150 HA TYR 2 HA TYR 2 2.396 7.688 7.688 151 1HB TYR 2 HB2 TYR 2 1.184 5.846 5.846 152 2HB TYR 2 HB1 TYR 2 1.309 6.343 6.343 153 HD1 TYR 2 HD1 TYR 2 3.369 4.637 4.637 154 HD2 TYR 2 HD2 TYR 2 2.243 4.805 4.805 155 HE1 TYR 2 HE1 TYR 2 4.790 2.675 2.675 156 HE2 TYR 2 HE2 TYR 2 3.664 2.834 2.834 157 HH TYR 2 HH TYR 2 4.815 0.802 0.802 158 H LEU 3 HN LEU 3 4.715 7.740 7.740 159 HA LEU 3 HA LEU 3 6.614 5.928 5.928 160 1HB LEU 3 HB2 LEU 3 6.309 7.719 7.719 161 2HB LEU 3 HB1 LEU 3 7.952 7.590 7.590 162 HG LEU 3 HG LEU 3 6.150 5.373 5.373 163 1HD1 LEU 3 HD13 LEU 3 8.751 6.511 6.511 164 2HD1 LEU 3 HD12 LEU 3 8.135 4.947 4.947 165 3HD1 LEU 3 HD11 LEU 3 7.215 6.415 6.415 166 1HD2 LEU 3 HD23 LEU 3 8.637 5.365 5.365 167 2HD2 LEU 3 HD22 LEU 3 7.241 4.290 4.290 168 3HD2 LEU 3 HD21 LEU 3 8.441 4.082 4.082 169 H ARG 4 HN ARG 4 5.966 9.389 9.389 170 HA ARG 4 HA ARG 4 8.200 10.380 10.380 171 1HB ARG 4 HB2 ARG 4 6.712 12.186 12.186 172 2HB ARG 4 HB1 ARG 4 6.115 11.543 11.543 173 1HG ARG 4 HG2 ARG 4 5.010 10.440 10.440 174 2HG ARG 4 HG1 ARG 4 4.437 11.994 11.994 175 1HD ARG 4 HD2 ARG 4 3.888 10.935 10.935 176 2HD ARG 4 HD1 ARG 4 4.358 9.363 9.363 177 HE ARG 4 HE ARG 4 2.468 9.467 9.467 178 1HH1 ARG 4 HH21 ARG 4 1.042 10.433 10.433 179 2HH1 ARG 4 HH22 ARG 4 0.286 11.886 11.886 180 1HH2 ARG 4 HH11 ARG 4 2.291 12.150 12.150 181 2HH2 ARG 4 HH12 ARG 4 0.995 12.860 12.860 182 H ARG 5 HN ARG 5 5.532 8.378 8.378 183 HA ARG 5 HA ARG 5 6.243 8.502 8.502 184 1HB ARG 5 HB2 ARG 5 4.082 7.855 7.855 185 2HB ARG 5 HB1 ARG 5 3.921 8.189 8.189 186 1HG ARG 5 HG2 ARG 5 4.834 5.704 5.704 187 2HG ARG 5 HG1 ARG 5 4.183 5.561 5.561 188 1HD ARG 5 HD2 ARG 5 2.696 6.327 6.327 189 2HD ARG 5 HD1 ARG 5 2.370 4.963 4.963 190 HE ARG 5 HE ARG 5 1.676 7.779 7.779 191 1HH1 ARG 5 HH21 ARG 5 0.686 4.710 4.710 192 2HH1 ARG 5 HH22 ARG 5 0.411 4.906 4.906 193 1HH2 ARG 5 HH11 ARG 5 1.962 8.001 8.001 194 2HH2 ARG 5 HH12 ARG 5 1.129 6.769 6.769 195 H PHE 6 HN PHE 6 6.664 6.482 6.482 196 HA PHE 6 HA PHE 6 7.548 4.104 4.104 197 1HB PHE 6 HB2 PHE 6 6.506 4.082 4.082 198 2HB PHE 6 HB1 PHE 6 7.867 5.014 5.014 199 HD1 PHE 6 HD1 PHE 6 6.907 1.810 1.810 200 HD2 PHE 6 HD2 PHE 6 9.893 4.000 4.000 201 HE1 PHE 6 HE1 PHE 6 8.162 -0.276 -0.276 202 HE2 PHE 6 HE2 PHE 6 11.154 1.917 1.917 203 HZ PHE 6 HZ PHE 6 10.299 -0.241 -0.241 204 H PHE 7 HN PHE 7 9.291 6.495 6.495 205 HA PHE 7 HA PHE 7 11.877 5.486 5.486 206 1HB PHE 7 HB2 PHE 7 12.535 7.205 7.205 207 2HB PHE 7 HB1 PHE 7 10.808 7.259 7.259 208 HD1 PHE 7 HD1 PHE 7 13.381 8.672 8.672 209 HD2 PHE 7 HD2 PHE 7 9.611 9.244 9.244 210 HE1 PHE 7 HE1 PHE 7 13.296 11.002 11.002 211 HE2 PHE 7 HE2 PHE 7 9.526 11.578 11.578 212 HZ PHE 7 HZ PHE 7 11.367 12.455 12.455 213 H LYS 8 HN LYS 8 9.952 8.026 8.026 214 HA LYS 8 HA LYS 8 11.736 9.154 9.154 215 1HB LYS 8 HB2 LYS 8 8.938 8.675 8.675 216 2HB LYS 8 HB1 LYS 8 9.432 8.448 8.448 217 1HG LYS 8 HG2 LYS 8 10.241 10.641 10.641 218 2HG LYS 8 HG1 LYS 8 10.389 10.834 10.834 219 1HD LYS 8 HD2 LYS 8 7.670 10.267 10.267 220 2HD LYS 8 HD1 LYS 8 8.129 11.431 11.431 221 1HE LYS 8 HE2 LYS 8 9.320 12.232 12.232 222 2HE LYS 8 HE1 LYS 8 7.578 11.981 11.981 223 1HZ LYS 8 HZ2 LYS 8 8.797 13.513 13.513 224 2HZ LYS 8 HZ1 LYS 8 8.073 14.210 14.210 225 3HZ LYS 8 HZ3 LYS 8 7.136 13.304 13.304 226 H ALA 9 HN ALA 9 10.004 6.083 6.083 227 HA ALA 9 HA ALA 9 11.471 5.435 5.435 228 1HB ALA 9 HB1 ALA 9 9.172 4.619 4.619 229 2HB ALA 9 HB3 ALA 9 10.063 3.538 3.538 230 3HB ALA 9 HB2 ALA 9 10.238 3.387 3.387 231 H LYS 10 HN LYS 10 11.638 4.366 4.366 232 HA LYS 10 HA LYS 10 13.647 2.511 2.511 233 1HB LYS 10 HB2 LYS 10 12.373 3.702 3.702 234 2HB LYS 10 HB1 LYS 10 13.635 4.923 4.923 235 1HG LYS 10 HG2 LYS 10 14.974 3.662 3.662 236 2HG LYS 10 HG1 LYS 10 14.912 2.387 2.387 237 1HD LYS 10 HD2 LYS 10 12.503 2.001 2.001 238 2HD LYS 10 HD1 LYS 10 13.365 2.671 2.671 239 1HE LYS 10 HE2 LYS 10 14.920 0.653 0.653 240 2HE LYS 10 HE1 LYS 10 13.446 0.019 0.019 241 1HZ LYS 10 HZ3 LYS 10 14.127 1.354 1.354 242 2HZ LYS 10 HZ2 LYS 10 15.649 1.534 1.534 243 3HZ LYS 10 HZ1 LYS 10 15.074 -0.014 -0.014 244 H LYS 11 HN LYS 11 14.149 6.037 6.037 245 HA LYS 11 HA LYS 11 16.920 6.182 6.182 246 1HB LYS 11 HB2 LYS 11 14.614 7.695 7.695 247 2HB LYS 11 HB1 LYS 11 16.118 8.018 8.018 248 1HG LYS 11 HG2 LYS 11 15.825 8.112 8.112 249 2HG LYS 11 HG1 LYS 11 15.775 9.529 9.529 250 1HD LYS 11 HD2 LYS 11 18.092 7.729 7.729 251 2HD LYS 11 HD1 LYS 11 18.060 8.590 8.590 252 1HE LYS 11 HE2 LYS 11 17.322 10.534 10.534 253 2HE LYS 11 HE1 LYS 11 18.631 9.631 9.631 254 1HZ LYS 11 HZ3 LYS 11 19.586 9.735 9.735 255 2HZ LYS 11 HZ2 LYS 11 18.672 11.167 11.167 256 3HZ LYS 11 HZ1 LYS 11 19.890 10.960 10.960 257 H LEU 12 HN LEU 12 14.754 5.110 5.110 258 HA LEU 12 HA LEU 12 16.800 5.111 5.111 259 1HB LEU 12 HB2 LEU 12 15.112 4.234 4.234 260 2HB LEU 12 HB1 LEU 12 14.256 5.241 5.241 261 HG LEU 12 HG LEU 12 14.342 2.845 2.845 262 1HD1 LEU 12 HD11 LEU 12 14.136 2.336 2.336 263 2HD1 LEU 12 HD13 LEU 12 13.567 1.197 1.197 264 3HD1 LEU 12 HD12 LEU 12 15.277 1.619 1.619 265 1HD2 LEU 12 HD21 LEU 12 12.491 4.600 4.600 266 2HD2 LEU 12 HD23 LEU 12 12.114 3.220 3.220 267 3HD2 LEU 12 HD22 LEU 12 12.068 3.047 3.047 268 H ILE 13 HN ILE 13 16.290 3.109 3.109 269 HA ILE 13 HA ILE 13 18.033 1.032 1.032 270 HB ILE 13 HB ILE 13 16.464 -0.583 -0.583 271 1HG1 ILE 13 HG12 ILE 13 14.225 1.013 1.013 272 2HG1 ILE 13 HG11 ILE 13 15.125 1.811 1.811 273 1HG2 ILE 13 HG22 ILE 13 16.677 0.173 0.173 274 2HG2 ILE 13 HG21 ILE 13 14.957 0.004 0.004 275 3HG2 ILE 13 HG23 ILE 13 16.055 -1.344 -1.344 276 1HD1 ILE 13 HD11 ILE 13 14.980 -0.841 -0.841 277 2HD1 ILE 13 HD13 ILE 13 13.387 -0.519 -0.519 278 3HD1 ILE 13 HD12 ILE 13 14.007 0.496 0.496 279 H GLU 14 HN GLU 14 18.896 2.992 2.992 280 HA GLU 14 HA GLU 14 19.441 1.517 1.517 281 1HB GLU 14 HB2 GLU 14 18.932 4.422 4.422 282 2HB GLU 14 HB1 GLU 14 19.430 3.824 3.824 283 1HG GLU 14 HG2 GLU 14 17.159 2.427 2.427 284 2HG GLU 14 HG1 GLU 14 16.835 4.076 4.076 285 1H CYS 1 HT2 CYS 1 20.514 -9.319 -9.319 286 2H CYS 1 HT1 CYS 1 22.076 -8.798 -8.798 287 3H CYS 1 HT3 CYS 1 21.868 -9.953 -9.953 288 HA CYS 1 HA CYS 1 21.133 -8.406 -8.406 289 1HB CYS 1 HB2 CYS 1 22.821 -6.682 -6.682 290 2HB CYS 1 HB1 CYS 1 23.513 -8.118 -8.118 291 H TYR 2 HN TYR 2 18.930 -8.450 -8.450 292 HA TYR 2 HA TYR 2 18.089 -5.685 -5.685 293 1HB TYR 2 HB2 TYR 2 19.218 -6.392 -6.392 294 2HB TYR 2 HB1 TYR 2 17.577 -6.963 -6.963 295 HD1 TYR 2 HD1 TYR 2 16.490 -5.355 -5.355 296 HD2 TYR 2 HD2 TYR 2 18.873 -4.142 -4.142 297 HE1 TYR 2 HE1 TYR 2 15.716 -3.027 -3.027 298 HE2 TYR 2 HE2 TYR 2 18.116 -1.838 -1.838 299 HH TYR 2 HH TYR 2 17.209 -0.388 -0.388 300 H LEU 3 HN LEU 3 15.749 -6.286 -6.286 301 HA LEU 3 HA LEU 3 13.628 -7.222 -7.222 302 1HB LEU 3 HB2 LEU 3 15.450 -9.414 -9.414 303 2HB LEU 3 HB1 LEU 3 13.726 -9.646 -9.646 304 HG LEU 3 HG LEU 3 14.007 -8.838 -8.838 305 1HD1 LEU 3 HD11 LEU 3 16.829 -8.770 -8.770 306 2HD1 LEU 3 HD13 LEU 3 16.502 -9.266 -9.266 307 3HD1 LEU 3 HD12 LEU 3 15.971 -7.682 -7.682 308 1HD2 LEU 3 HD23 LEU 3 15.569 -11.288 -11.288 309 2HD2 LEU 3 HD22 LEU 3 13.836 -11.227 -11.227 310 3HD2 LEU 3 HD21 LEU 3 14.991 -10.958 -10.958 311 H ARG 4 HN ARG 4 15.232 -8.763 -8.763 312 HA ARG 4 HA ARG 4 13.307 -8.292 -8.292 313 1HB ARG 4 HB2 ARG 4 15.687 -7.922 -7.922 314 2HB ARG 4 HB1 ARG 4 14.899 -9.455 -9.455 315 1HG ARG 4 HG2 ARG 4 16.995 -9.952 -9.952 316 2HG ARG 4 HG1 ARG 4 16.296 -9.342 -9.342 317 1HD ARG 4 HD2 ARG 4 18.629 -8.448 -8.448 318 2HD ARG 4 HD1 ARG 4 17.445 -7.271 -7.271 319 HE ARG 4 HE ARG 4 17.236 -6.464 -6.464 320 1HH1 ARG 4 HH21 ARG 4 16.861 -9.383 -9.383 321 2HH1 ARG 4 HH22 ARG 4 18.135 -9.459 -9.459 322 1HH2 ARG 4 HH11 ARG 4 19.732 -6.608 -6.608 323 2HH2 ARG 4 HH12 ARG 4 19.761 -7.889 -7.889 324 H ARG 5 HN ARG 5 16.110 -6.132 -6.132 325 HA ARG 5 HA ARG 5 14.958 -4.026 -4.026 326 1HB ARG 5 HB2 ARG 5 16.987 -2.852 -2.852 327 2HB ARG 5 HB1 ARG 5 17.398 -4.546 -4.546 328 1HG ARG 5 HG2 ARG 5 16.906 -4.770 -4.770 329 2HG ARG 5 HG1 ARG 5 17.256 -3.040 -3.040 330 1HD ARG 5 HD2 ARG 5 19.122 -4.947 -4.947 331 2HD ARG 5 HD1 ARG 5 19.254 -4.691 -4.691 332 HE ARG 5 HE ARG 5 19.000 -2.152 -2.152 333 1HH1 ARG 5 HH21 ARG 5 21.164 -4.833 -4.833 334 2HH1 ARG 5 HH22 ARG 5 22.590 -3.852 -3.852 335 1HH2 ARG 5 HH11 ARG 5 20.856 -0.851 -0.851 336 2HH2 ARG 5 HH12 ARG 5 22.417 -1.601 -1.601 337 H PHE 6 HN PHE 6 14.824 -4.958 -4.958 338 HA PHE 6 HA PHE 6 13.952 -2.323 -2.323 339 1HB PHE 6 HB2 PHE 6 15.239 -3.499 -3.499 340 2HB PHE 6 HB1 PHE 6 14.506 -5.029 -5.029 341 HD1 PHE 6 HD1 PHE 6 12.355 -5.698 -5.698 342 HD2 PHE 6 HD2 PHE 6 14.198 -2.003 -2.003 343 HE1 PHE 6 HE1 PHE 6 10.797 -5.510 -5.510 344 HE2 PHE 6 HE2 PHE 6 12.641 -1.803 -1.803 345 HZ PHE 6 HZ PHE 6 10.927 -3.557 -3.557 346 H PHE 7 HN PHE 7 12.529 -5.590 -5.590 347 HA PHE 7 HA PHE 7 9.896 -4.946 -4.946 348 1HB PHE 7 HB2 PHE 7 11.376 -7.122 -7.122 349 2HB PHE 7 HB1 PHE 7 10.177 -6.938 -6.938 350 HD1 PHE 7 HD1 PHE 7 7.815 -5.963 -5.963 351 HD2 PHE 7 HD2 PHE 7 10.699 -8.784 -8.784 352 HE1 PHE 7 HE1 PHE 7 6.091 -6.948 -6.948 353 HE2 PHE 7 HE2 PHE 7 8.974 -9.775 -9.775 354 HZ PHE 7 HZ PHE 7 6.667 -8.857 -8.857 355 H LYS 8 HN LYS 8 11.465 -4.927 -4.927 356 HA LYS 8 HA LYS 8 9.361 -4.375 -4.375 357 1HB LYS 8 HB2 LYS 8 12.207 -3.643 -3.643 358 2HB LYS 8 HB1 LYS 8 11.275 -2.735 -2.735 359 1HG LYS 8 HG2 LYS 8 10.900 -5.691 -5.691 360 2HG LYS 8 HG1 LYS 8 12.437 -5.096 -5.096 361 1HD LYS 8 HD2 LYS 8 11.383 -4.734 -4.734 362 2HD LYS 8 HD1 LYS 8 10.519 -3.422 -3.422 363 1HE LYS 8 HE2 LYS 8 8.573 -4.581 -4.581 364 2HE LYS 8 HE1 LYS 8 9.333 -5.996 -5.996 365 1HZ LYS 8 HZ1 LYS 8 10.162 -5.415 -5.415 366 2HZ LYS 8 HZ3 LYS 8 8.561 -5.948 -5.948 367 3HZ LYS 8 HZ2 LYS 8 9.840 -6.909 -6.909 368 H ALA 9 HN ALA 9 10.824 -2.292 -2.292 369 HA ALA 9 HA ALA 9 9.300 0.062 0.062 370 1HB ALA 9 HB1 ALA 9 11.363 -0.634 -0.634 371 2HB ALA 9 HB3 ALA 9 10.483 0.891 0.891 372 3HB ALA 9 HB2 ALA 9 11.477 0.543 0.543 373 H LYS 10 HN LYS 10 9.386 -2.322 -2.322 374 HA LYS 10 HA LYS 10 7.482 -1.276 -1.276 375 1HB LYS 10 HB2 LYS 10 8.976 -3.402 -3.402 376 2HB LYS 10 HB1 LYS 10 7.589 -4.148 -4.148 377 1HG LYS 10 HG2 LYS 10 7.163 -4.556 -4.556 378 2HG LYS 10 HG1 LYS 10 6.214 -3.104 -3.104 379 1HD LYS 10 HD2 LYS 10 8.273 -1.776 -1.776 380 2HD LYS 10 HD1 LYS 10 8.908 -3.303 -3.303 381 1HE LYS 10 HE2 LYS 10 6.115 -2.744 -2.744 382 2HE LYS 10 HE1 LYS 10 7.322 -1.631 -1.631 383 1HZ LYS 10 HZ1 LYS 10 8.658 -3.531 -3.531 384 2HZ LYS 10 HZ3 LYS 10 7.504 -4.598 -4.598 385 3HZ LYS 10 HZ2 LYS 10 7.114 -3.626 -3.626 386 H LYS 11 HN LYS 11 6.931 -3.361 -3.361 387 HA LYS 11 HA LYS 11 4.176 -3.662 -3.662 388 1HB LYS 11 HB2 LYS 11 6.308 -3.750 -3.750 389 2HB LYS 11 HB1 LYS 11 4.917 -2.966 -2.966 390 1HG LYS 11 HG2 LYS 11 4.957 -5.676 -5.676 391 2HG LYS 11 HG1 LYS 11 4.722 -5.357 -5.357 392 1HD LYS 11 HD2 LYS 11 2.708 -3.904 -3.904 393 2HD LYS 11 HD1 LYS 11 2.849 -4.797 -4.797 394 1HE LYS 11 HE2 LYS 11 2.688 -6.940 -6.940 395 2HE LYS 11 HE1 LYS 11 2.394 -5.983 -5.983 396 1HZ LYS 11 HZ3 LYS 11 0.687 -4.809 -4.809 397 2HZ LYS 11 HZ2 LYS 11 0.702 -6.331 -6.331 398 3HZ LYS 11 HZ1 LYS 11 0.261 -6.195 -6.195 399 H LEU 12 HN LEU 12 6.023 -0.800 -0.800 400 HA LEU 12 HA LEU 12 3.880 0.774 0.774 401 1HB LEU 12 HB2 LEU 12 6.418 1.607 1.607 402 2HB LEU 12 HB1 LEU 12 5.477 2.607 2.607 403 HG LEU 12 HG LEU 12 7.051 0.103 0.103 404 1HD1 LEU 12 HD11 LEU 12 7.192 3.023 3.023 405 2HD1 LEU 12 HD13 LEU 12 7.832 1.824 1.824 406 3HD1 LEU 12 HD12 LEU 12 8.486 1.937 1.937 407 1HD2 LEU 12 HD22 LEU 12 4.751 1.393 1.393 408 2HD2 LEU 12 HD21 LEU 12 5.207 -0.310 -0.310 409 3HD2 LEU 12 HD23 LEU 12 6.087 0.794 0.794 410 H ILE 13 HN ILE 13 4.541 -0.304 -0.304 411 HA ILE 13 HA ILE 13 2.527 1.607 1.607 412 HB ILE 13 HB ILE 13 4.022 1.604 1.604 413 1HG1 ILE 13 HG12 ILE 13 6.499 1.559 1.559 414 2HG1 ILE 13 HG11 ILE 13 5.794 0.375 0.375 415 1HG2 ILE 13 HG21 ILE 13 4.649 3.063 3.063 416 2HG2 ILE 13 HG23 ILE 13 5.464 3.446 3.446 417 3HG2 ILE 13 HG22 ILE 13 3.717 3.641 3.641 418 1HD1 ILE 13 HD12 ILE 13 5.586 0.271 0.271 419 2HD1 ILE 13 HD11 ILE 13 6.737 -0.661 -0.661 420 3HD1 ILE 13 HD13 ILE 13 5.007 -0.951 -0.951 421 H GLU 14 HN GLU 14 2.078 -1.001 -1.001 422 HA GLU 14 HA GLU 14 1.634 -2.345 -2.345 423 1HB GLU 14 HB2 GLU 14 2.361 -3.357 -3.357 424 2HB GLU 14 HB1 GLU 14 2.005 -4.418 -4.418 425 1HG GLU 14 HG2 GLU 14 3.951 -2.254 -2.254 426 2HG GLU 14 HG1 GLU 14 4.502 -3.505 -3.505 427 1H CYS 1 HT2 CYS 1 25.177 -6.991 -6.991 428 2H CYS 1 HT1 CYS 1 26.439 -6.548 -6.548 429 3H CYS 1 HT3 CYS 1 25.345 -7.762 -7.762 430 HA CYS 1 HA CYS 1 23.597 -6.246 -6.246 431 1HB CYS 1 HB2 CYS 1 26.344 -5.361 -5.361 432 2HB CYS 1 HB1 CYS 1 24.917 -4.453 -4.453 433 H TYR 2 HN TYR 2 23.371 -5.761 -5.761 434 HA TYR 2 HA TYR 2 22.918 -3.009 -3.009 435 1HB TYR 2 HB2 TYR 2 24.903 -2.201 -2.201 436 2HB TYR 2 HB1 TYR 2 25.624 -3.613 -3.613 437 HD1 TYR 2 HD1 TYR 2 23.796 -2.705 -2.705 438 HD2 TYR 2 HD2 TYR 2 26.921 -5.001 -5.001 439 HE1 TYR 2 HE1 TYR 2 24.408 -3.602 -3.602 440 HE2 TYR 2 HE2 TYR 2 27.556 -5.900 -5.900 441 HH TYR 2 HH TYR 2 27.272 -5.680 -5.680 442 H LEU 3 HN LEU 3 23.735 -6.148 -6.148 443 HA LEU 3 HA LEU 3 22.691 -6.046 -6.046 444 1HB LEU 3 HB2 LEU 3 22.878 -8.007 -8.007 445 2HB LEU 3 HB1 LEU 3 21.801 -8.443 -8.443 446 HG LEU 3 HG LEU 3 23.634 -8.075 -8.075 447 1HD1 LEU 3 HD11 LEU 3 24.757 -6.366 -6.366 448 2HD1 LEU 3 HD13 LEU 3 25.438 -7.751 -7.751 449 3HD1 LEU 3 HD12 LEU 3 25.831 -7.483 -7.483 450 1HD2 LEU 3 HD21 LEU 3 23.294 -10.312 -10.312 451 2HD2 LEU 3 HD23 LEU 3 24.989 -10.019 -10.019 452 3HD2 LEU 3 HD22 LEU 3 24.428 -9.869 -9.869 453 H ARG 4 HN ARG 4 20.887 -6.888 -6.888 454 HA ARG 4 HA ARG 4 18.301 -6.889 -6.889 455 1HB ARG 4 HB2 ARG 4 17.774 -6.007 -6.007 456 2HB ARG 4 HB1 ARG 4 18.298 -7.655 -7.655 457 1HG ARG 4 HG2 ARG 4 19.485 -6.418 -6.418 458 2HG ARG 4 HG1 ARG 4 20.529 -7.177 -7.177 459 1HD ARG 4 HD2 ARG 4 21.124 -5.132 -5.132 460 2HD ARG 4 HD1 ARG 4 19.686 -4.300 -4.300 461 HE ARG 4 HE ARG 4 22.089 -5.037 -5.037 462 1HH1 ARG 4 HH21 ARG 4 19.773 -2.709 -2.709 463 2HH1 ARG 4 HH22 ARG 4 19.499 -2.281 -2.281 464 1HH2 ARG 4 HH11 ARG 4 21.390 -4.897 -4.897 465 2HH2 ARG 4 HH12 ARG 4 20.417 -3.517 -3.517 466 H ARG 5 HN ARG 5 20.442 -4.214 -4.214 467 HA ARG 5 HA ARG 5 18.227 -2.258 -2.258 468 1HB ARG 5 HB2 ARG 5 19.722 -0.848 -0.848 469 2HB ARG 5 HB1 ARG 5 20.648 -2.315 -2.315 470 1HG ARG 5 HG2 ARG 5 21.592 -1.859 -1.859 471 2HG ARG 5 HG1 ARG 5 21.061 -0.210 -0.210 472 1HD ARG 5 HD2 ARG 5 22.426 -1.192 -1.192 473 2HD ARG 5 HD1 ARG 5 23.447 -1.456 -1.456 474 HE ARG 5 HE ARG 5 22.522 1.163 1.163 475 1HH1 ARG 5 HH11 ARG 5 25.339 0.667 0.667 476 2HH1 ARG 5 HH12 ARG 5 25.411 1.391 1.391 477 1HH2 ARG 5 HH21 ARG 5 21.969 1.496 1.496 478 2HH2 ARG 5 HH22 ARG 5 23.504 1.861 1.861 479 H PHE 6 HN PHE 6 20.392 -3.881 -3.881 480 HA PHE 6 HA PHE 6 20.061 -1.827 -1.827 481 1HB PHE 6 HB2 PHE 6 22.292 -2.451 -2.451 482 2HB PHE 6 HB1 PHE 6 21.871 -4.121 -4.121 483 HD1 PHE 6 HD1 PHE 6 22.307 -1.595 -1.595 484 HD2 PHE 6 HD2 PHE 6 21.364 -5.685 -5.685 485 HE1 PHE 6 HE1 PHE 6 22.639 -2.151 -2.151 486 HE2 PHE 6 HE2 PHE 6 21.690 -6.253 -6.253 487 HZ PHE 6 HZ PHE 6 22.330 -4.488 -4.488 488 H PHE 7 HN PHE 7 19.727 -5.373 -5.373 489 HA PHE 7 HA PHE 7 18.330 -5.716 -5.716 490 1HB PHE 7 HB2 PHE 7 18.563 -7.917 -7.917 491 2HB PHE 7 HB1 PHE 7 19.597 -7.289 -7.289 492 HD1 PHE 7 HD1 PHE 7 16.013 -8.093 -8.093 493 HD2 PHE 7 HD2 PHE 7 19.088 -7.767 -7.767 494 HE1 PHE 7 HE1 PHE 7 14.471 -9.044 -9.044 495 HE2 PHE 7 HE2 PHE 7 17.547 -8.715 -8.715 496 HZ PHE 7 HZ PHE 7 15.238 -9.355 -9.355 497 H LYS 8 HN LYS 8 17.326 -4.740 -4.740 498 HA LYS 8 HA LYS 8 14.626 -5.468 -5.468 499 1HB LYS 8 HB2 LYS 8 16.410 -3.563 -3.563 500 2HB LYS 8 HB1 LYS 8 14.794 -2.892 -2.892 501 1HG LYS 8 HG2 LYS 8 15.466 -5.560 -5.560 502 2HG LYS 8 HG1 LYS 8 15.057 -4.085 -4.085 503 1HD LYS 8 HD2 LYS 8 12.845 -4.312 -4.312 504 2HD LYS 8 HD1 LYS 8 13.126 -4.784 -4.784 505 1HE LYS 8 HE2 LYS 8 13.109 -7.023 -7.023 506 2HE LYS 8 HE1 LYS 8 13.945 -6.780 -6.780 507 1HZ LYS 8 HZ2 LYS 8 11.752 -5.523 -5.523 508 2HZ LYS 8 HZ1 LYS 8 11.087 -6.510 -6.510 509 3HZ LYS 8 HZ3 LYS 8 11.827 -7.214 -7.214 510 H ALA 9 HN ALA 9 16.050 -2.484 -2.484 511 HA ALA 9 HA ALA 9 13.564 -1.508 -1.508 512 1HB ALA 9 HB1 ALA 9 16.020 -0.491 -0.491 513 2HB ALA 9 HB3 ALA 9 16.164 -0.752 -0.752 514 3HB ALA 9 HB2 ALA 9 14.884 0.283 0.283 515 H LYS 10 HN LYS 10 15.950 -3.773 -3.773 516 HA LYS 10 HA LYS 10 15.367 -3.707 -3.707 517 1HB LYS 10 HB2 LYS 10 17.335 -4.623 -4.623 518 2HB LYS 10 HB1 LYS 10 16.404 -6.100 -6.100 519 1HG LYS 10 HG2 LYS 10 17.843 -6.205 -6.205 520 2HG LYS 10 HG1 LYS 10 16.400 -5.471 -5.471 521 1HD LYS 10 HD2 LYS 10 17.393 -3.220 -3.220 522 2HD LYS 10 HD1 LYS 10 18.863 -4.008 -4.008 523 1HE LYS 10 HE2 LYS 10 17.680 -4.117 -4.117 524 2HE LYS 10 HE1 LYS 10 19.280 -3.517 -3.517 525 1HZ LYS 10 HZ3 LYS 10 19.627 -5.817 -5.817 526 2HZ LYS 10 HZ2 LYS 10 18.272 -6.301 -6.301 527 3HZ LYS 10 HZ1 LYS 10 19.653 -5.705 -5.705 528 H LYS 11 HN LYS 11 14.740 -6.323 -6.323 529 HA LYS 11 HA LYS 11 12.988 -7.877 -7.877 530 1HB LYS 11 HB2 LYS 11 13.485 -7.238 -7.238 531 2HB LYS 11 HB1 LYS 11 11.884 -7.908 -7.908 532 1HG LYS 11 HG2 LYS 11 14.486 -9.147 -9.147 533 2HG LYS 11 HG1 LYS 11 13.573 -9.679 -9.679 534 1HD LYS 11 HD2 LYS 11 11.936 -10.666 -10.666 535 2HD LYS 11 HD1 LYS 11 12.036 -9.448 -9.448 536 1HE LYS 11 HE2 LYS 11 14.422 -10.550 -10.550 537 2HE LYS 11 HE1 LYS 11 13.645 -11.951 -11.951 538 1HZ LYS 11 HZ2 LYS 11 12.374 -10.367 -10.367 539 2HZ LYS 11 HZ1 LYS 11 13.292 -11.765 -11.765 540 3HZ LYS 11 HZ3 LYS 11 11.871 -11.866 -11.866 541 H LEU 12 HN LEU 12 12.346 -4.759 -4.759 542 HA LEU 12 HA LEU 12 9.493 -4.813 -4.813 543 1HB LEU 12 HB2 LEU 12 11.646 -2.742 -2.742 544 2HB LEU 12 HB1 LEU 12 9.960 -2.250 -2.250 545 HG LEU 12 HG LEU 12 10.948 -4.238 -4.238 546 1HD1 LEU 12 HD11 LEU 12 10.362 -1.273 -1.273 547 2HD1 LEU 12 HD13 LEU 12 10.452 -2.324 -2.324 548 3HD1 LEU 12 HD12 LEU 12 11.872 -2.094 -2.094 549 1HD2 LEU 12 HD22 LEU 12 8.298 -2.904 -2.904 550 2HD2 LEU 12 HD21 LEU 12 8.642 -4.629 -4.629 551 3HD2 LEU 12 HD23 LEU 12 8.659 -3.603 -3.603 552 H ILE 13 HN ILE 13 11.880 -4.641 -4.641 553 HA ILE 13 HA ILE 13 9.846 -3.834 -3.834 554 HB ILE 13 HB ILE 13 11.701 -2.280 -2.280 555 1HG1 ILE 13 HG12 ILE 13 12.757 -1.326 -1.326 556 2HG1 ILE 13 HG11 ILE 13 12.813 -3.061 -3.061 557 1HG2 ILE 13 HG23 ILE 13 9.478 -1.851 -1.851 558 2HG2 ILE 13 HG22 ILE 13 10.742 -1.017 -1.017 559 3HG2 ILE 13 HG21 ILE 13 10.426 -0.583 -0.583 560 1HD1 ILE 13 HD11 ILE 13 13.886 -3.295 -3.295 561 2HD1 ILE 13 HD13 ILE 13 14.004 -1.536 -1.536 562 3HD1 ILE 13 HD12 ILE 13 14.872 -2.442 -2.442 563 H GLU 14 HN GLU 14 10.874 -6.338 -6.338 564 HA GLU 14 HA GLU 14 12.609 -6.666 -6.666 565 1HB GLU 14 HB2 GLU 14 12.572 -8.015 -8.015 566 2HB GLU 14 HB1 GLU 14 13.620 -8.520 -8.520 567 1HG GLU 14 HG2 GLU 14 13.634 -5.636 -5.636 568 2HG GLU 14 HG1 GLU 14 14.377 -6.713 -6.713 Start of MODEL 5 1 1H CYS 1 HT3 CYS 1 3.046 5.185 5.185 2 2H CYS 1 HT2 CYS 1 2.580 6.806 6.806 3 3H CYS 1 HT1 CYS 1 4.202 6.419 6.419 4 HA CYS 1 HA CYS 1 3.941 6.949 6.949 5 1HB CYS 1 HB2 CYS 1 1.664 5.100 5.100 6 2HB CYS 1 HB1 CYS 1 2.430 4.984 4.984 7 H TYR 2 HN TYR 2 4.964 4.657 4.657 8 HA TYR 2 HA TYR 2 6.257 3.026 3.026 9 1HB TYR 2 HB2 TYR 2 6.132 1.239 1.239 10 2HB TYR 2 HB1 TYR 2 4.726 2.167 2.167 11 HD1 TYR 2 HD1 TYR 2 8.344 1.659 1.659 12 HD2 TYR 2 HD2 TYR 2 4.614 3.069 3.069 13 HE1 TYR 2 HE1 TYR 2 9.403 1.975 1.975 14 HE2 TYR 2 HE2 TYR 2 5.659 3.385 3.385 15 HH TYR 2 HH TYR 2 9.034 2.416 2.416 16 H LEU 3 HN LEU 3 6.771 5.217 5.217 17 HA LEU 3 HA LEU 3 9.403 4.835 4.835 18 1HB LEU 3 HB2 LEU 3 7.655 7.157 7.157 19 2HB LEU 3 HB1 LEU 3 9.351 7.508 7.508 20 HG LEU 3 HG LEU 3 9.230 6.267 6.267 21 1HD1 LEU 3 HD13 LEU 3 7.437 4.698 4.698 22 2HD1 LEU 3 HD12 LEU 3 6.275 5.992 5.992 23 3HD1 LEU 3 HD11 LEU 3 7.185 5.309 5.309 24 1HD2 LEU 3 HD21 LEU 3 8.092 8.741 8.741 25 2HD2 LEU 3 HD23 LEU 3 8.487 8.111 8.111 26 3HD2 LEU 3 HD22 LEU 3 6.860 7.909 7.909 27 H ARG 4 HN ARG 4 8.361 6.818 6.818 28 HA ARG 4 HA ARG 4 10.725 7.404 7.404 29 1HB ARG 4 HB2 ARG 4 8.399 6.246 6.246 30 2HB ARG 4 HB1 ARG 4 9.378 7.655 7.655 31 1HG ARG 4 HG2 ARG 4 7.584 8.814 8.814 32 2HG ARG 4 HG1 ARG 4 8.272 8.449 8.449 33 1HD ARG 4 HD2 ARG 4 6.859 6.333 6.333 34 2HD ARG 4 HD1 ARG 4 6.077 6.904 6.904 35 HE ARG 4 HE ARG 4 5.473 7.908 7.908 36 1HH1 ARG 4 HH11 ARG 4 3.868 8.514 8.514 37 2HH1 ARG 4 HH12 ARG 4 4.101 10.222 10.222 38 1HH2 ARG 4 HH21 ARG 4 6.850 10.330 10.330 39 2HH2 ARG 4 HH22 ARG 4 5.790 11.250 11.250 40 H ARG 5 HN ARG 5 8.944 4.356 4.356 41 HA ARG 5 HA ARG 5 10.793 2.972 2.972 42 1HB ARG 5 HB2 ARG 5 8.710 2.069 2.069 43 2HB ARG 5 HB1 ARG 5 8.306 2.484 2.484 44 1HG ARG 5 HG2 ARG 5 10.381 0.425 0.425 45 2HG ARG 5 HG1 ARG 5 8.887 -0.061 -0.061 46 1HD ARG 5 HD2 ARG 5 8.406 1.303 1.303 47 2HD ARG 5 HD1 ARG 5 9.317 -0.210 -0.210 48 HE ARG 5 HE ARG 5 6.548 -0.020 -0.020 49 1HH1 ARG 5 HH21 ARG 5 9.339 -1.963 -1.963 50 2HH1 ARG 5 HH22 ARG 5 8.659 -3.286 -3.286 51 1HH2 ARG 5 HH11 ARG 5 5.731 -1.613 -1.613 52 2HH2 ARG 5 HH12 ARG 5 6.621 -3.090 -3.090 53 H PHE 6 HN PHE 6 10.223 3.064 3.064 54 HA PHE 6 HA PHE 6 12.294 1.101 1.101 55 1HB PHE 6 HB2 PHE 6 10.899 1.106 1.106 56 2HB PHE 6 HB1 PHE 6 10.263 2.683 2.683 57 HD1 PHE 6 HD1 PHE 6 12.815 0.873 0.873 58 HD2 PHE 6 HD2 PHE 6 11.182 4.711 4.711 59 HE1 PHE 6 HE1 PHE 6 14.061 1.884 1.884 60 HE2 PHE 6 HE2 PHE 6 12.428 5.725 5.725 61 HZ PHE 6 HZ PHE 6 13.880 4.319 4.319 62 H PHE 7 HN PHE 7 12.023 4.642 4.642 63 HA PHE 7 HA PHE 7 14.627 5.138 5.138 64 1HB PHE 7 HB2 PHE 7 12.294 6.512 6.512 65 2HB PHE 7 HB1 PHE 7 13.729 7.314 7.314 66 HD1 PHE 7 HD1 PHE 7 15.748 6.902 6.902 67 HD2 PHE 7 HD2 PHE 7 11.559 7.692 7.692 68 HE1 PHE 7 HE1 PHE 7 16.210 7.839 7.839 69 HE2 PHE 7 HE2 PHE 7 12.023 8.637 8.637 70 HZ PHE 7 HZ PHE 7 14.349 8.711 8.711 71 H LYS 8 HN LYS 8 13.362 5.038 5.038 72 HA LYS 8 HA LYS 8 15.490 5.999 5.999 73 1HB LYS 8 HB2 LYS 8 13.321 4.098 4.098 74 2HB LYS 8 HB1 LYS 8 14.675 3.740 3.740 75 1HG LYS 8 HG2 LYS 8 14.611 5.965 5.965 76 2HG LYS 8 HG1 LYS 8 13.411 6.481 6.481 77 1HD LYS 8 HD2 LYS 8 12.476 5.905 5.905 78 2HD LYS 8 HD1 LYS 8 11.737 5.041 5.041 79 1HE LYS 8 HE2 LYS 8 12.698 3.014 3.014 80 2HE LYS 8 HE1 LYS 8 14.108 3.787 3.787 81 1HZ LYS 8 HZ2 LYS 8 12.672 4.632 4.632 82 2HZ LYS 8 HZ1 LYS 8 11.325 3.879 3.879 83 3HZ LYS 8 HZ3 LYS 8 12.580 2.936 2.936 84 H ALA 9 HN ALA 9 15.361 3.059 3.059 85 HA ALA 9 HA ALA 9 17.833 2.013 2.013 86 1HB ALA 9 HB2 ALA 9 15.674 1.101 1.101 87 2HB ALA 9 HB1 ALA 9 17.241 0.297 0.297 88 3HB ALA 9 HB3 ALA 9 16.345 0.286 0.286 89 H LYS 10 HN LYS 10 16.668 3.686 3.686 90 HA LYS 10 HA LYS 10 18.884 3.254 3.254 91 1HB LYS 10 HB2 LYS 10 16.409 4.226 4.226 92 2HB LYS 10 HB1 LYS 10 17.299 5.733 5.733 93 1HG LYS 10 HG2 LYS 10 17.082 5.151 5.151 94 2HG LYS 10 HG1 LYS 10 18.774 5.033 5.033 95 1HD LYS 10 HD2 LYS 10 18.813 2.756 2.756 96 2HD LYS 10 HD1 LYS 10 17.145 2.579 2.579 97 1HE LYS 10 HE2 LYS 10 16.619 2.221 2.221 98 2HE LYS 10 HE1 LYS 10 16.925 3.951 3.951 99 1HZ LYS 10 HZ3 LYS 10 19.328 3.369 3.369 100 2HZ LYS 10 HZ2 LYS 10 18.883 1.729 1.729 101 3HZ LYS 10 HZ1 LYS 10 18.377 2.773 2.773 102 H LYS 11 HN LYS 11 18.023 6.122 6.122 103 HA LYS 11 HA LYS 11 20.290 7.674 7.674 104 1HB LYS 11 HB2 LYS 11 18.313 7.247 7.247 105 2HB LYS 11 HB1 LYS 11 19.782 8.104 8.104 106 1HG LYS 11 HG2 LYS 11 18.736 9.946 9.946 107 2HG LYS 11 HG1 LYS 11 19.169 9.300 9.300 108 1HD LYS 11 HD2 LYS 11 17.028 8.751 8.751 109 2HD LYS 11 HD1 LYS 11 16.735 8.100 8.100 110 1HE LYS 11 HE2 LYS 11 16.963 10.820 10.820 111 2HE LYS 11 HE1 LYS 11 16.097 10.759 10.759 112 1HZ LYS 11 HZ3 LYS 11 15.411 9.080 9.080 113 2HZ LYS 11 HZ2 LYS 11 14.624 10.538 10.538 114 3HZ LYS 11 HZ1 LYS 11 14.536 9.219 9.219 115 H LEU 12 HN LEU 12 19.985 4.764 4.764 116 HA LEU 12 HA LEU 12 22.460 5.036 5.036 117 1HB LEU 12 HB2 LEU 12 20.670 2.692 2.692 118 2HB LEU 12 HB1 LEU 12 22.005 2.615 2.615 119 HG LEU 12 HG LEU 12 19.524 4.342 4.342 120 1HD1 LEU 12 HD11 LEU 12 19.636 1.840 1.840 121 2HD1 LEU 12 HD13 LEU 12 20.610 2.456 2.456 122 3HD1 LEU 12 HD12 LEU 12 18.956 3.026 3.026 123 1HD2 LEU 12 HD22 LEU 12 22.215 4.619 4.619 124 2HD2 LEU 12 HD21 LEU 12 20.968 5.839 5.839 125 3HD2 LEU 12 HD23 LEU 12 20.862 4.751 4.751 126 H ILE 13 HN ILE 13 21.837 4.392 4.392 127 HA ILE 13 HA ILE 13 24.610 3.435 3.435 128 HB ILE 13 HB ILE 13 23.551 1.711 1.711 129 1HG1 ILE 13 HG12 ILE 13 21.362 1.018 1.018 130 2HG1 ILE 13 HG11 ILE 13 21.207 2.763 2.763 131 1HG2 ILE 13 HG22 ILE 13 24.795 1.286 1.286 132 2HG2 ILE 13 HG21 ILE 13 23.211 1.182 1.182 133 3HG2 ILE 13 HG23 ILE 13 23.656 0.034 0.034 134 1HD1 ILE 13 HD12 ILE 13 21.653 2.446 2.446 135 2HD1 ILE 13 HD11 ILE 13 21.376 0.727 0.727 136 3HD1 ILE 13 HD13 ILE 13 20.089 1.890 1.890 137 H GLU 14 HN GLU 14 23.670 5.919 5.919 138 HA GLU 14 HA GLU 14 23.640 5.913 5.913 139 1HB GLU 14 HB2 GLU 14 22.147 7.538 7.538 140 2HB GLU 14 HB1 GLU 14 22.102 7.883 7.883 141 1HG GLU 14 HG2 GLU 14 21.579 5.085 5.085 142 2HG GLU 14 HG1 GLU 14 20.318 6.259 6.259 143 1H CYS 1 HT2 CYS 1 0.279 4.969 4.969 144 2H CYS 1 HT1 CYS 1 0.422 6.631 6.631 145 3H CYS 1 HT3 CYS 1 -0.368 5.619 5.619 146 HA CYS 1 HA CYS 1 1.677 4.500 4.500 147 1HB CYS 1 HB2 CYS 1 1.839 7.531 7.531 148 2HB CYS 1 HB1 CYS 1 2.810 6.515 6.515 149 H TYR 2 HN TYR 2 2.163 3.758 3.758 150 HA TYR 2 HA TYR 2 4.910 4.276 4.276 151 1HB TYR 2 HB2 TYR 2 4.876 6.028 6.028 152 2HB TYR 2 HB1 TYR 2 3.327 6.395 6.395 153 HD1 TYR 2 HD1 TYR 2 4.824 4.321 4.321 154 HD2 TYR 2 HD2 TYR 2 1.398 6.487 6.487 155 HE1 TYR 2 HE1 TYR 2 3.688 3.895 3.895 156 HE2 TYR 2 HE2 TYR 2 0.254 6.071 6.071 157 HH TYR 2 HH TYR 2 0.529 4.118 4.118 158 H LEU 3 HN LEU 3 1.742 3.236 3.236 159 HA LEU 3 HA LEU 3 2.304 1.712 1.712 160 1HB LEU 3 HB2 LEU 3 0.483 1.613 1.613 161 2HB LEU 3 HB1 LEU 3 0.635 0.096 0.096 162 HG LEU 3 HG LEU 3 0.002 1.154 1.154 163 1HD1 LEU 3 HD13 LEU 3 1.233 3.278 3.278 164 2HD1 LEU 3 HD12 LEU 3 -0.093 3.769 3.769 165 3HD1 LEU 3 HD11 LEU 3 -0.379 3.530 3.530 166 1HD2 LEU 3 HD21 LEU 3 -1.763 0.640 0.640 167 2HD2 LEU 3 HD23 LEU 3 -2.260 1.631 1.631 168 3HD2 LEU 3 HD22 LEU 3 -1.867 2.392 2.392 169 H ARG 4 HN ARG 4 2.191 0.333 0.333 170 HA ARG 4 HA ARG 4 3.561 -2.038 -2.038 171 1HB ARG 4 HB2 ARG 4 4.136 -1.791 -1.791 172 2HB ARG 4 HB1 ARG 4 2.517 -1.157 -1.157 173 1HG ARG 4 HG2 ARG 4 4.879 0.698 0.698 174 2HG ARG 4 HG1 ARG 4 4.227 0.256 0.256 175 1HD ARG 4 HD2 ARG 4 1.916 0.919 0.919 176 2HD ARG 4 HD1 ARG 4 2.874 1.766 1.766 177 HE ARG 4 HE ARG 4 3.351 3.372 3.372 178 1HH1 ARG 4 HH21 ARG 4 1.513 1.125 1.125 179 2HH1 ARG 4 HH22 ARG 4 2.268 1.300 1.300 180 1HH2 ARG 4 HH11 ARG 4 4.876 3.245 3.245 181 2HH2 ARG 4 HH12 ARG 4 4.172 2.494 2.494 182 H ARG 5 HN ARG 5 4.844 1.246 1.246 183 HA ARG 5 HA ARG 5 7.635 0.332 0.332 184 1HB ARG 5 HB2 ARG 5 6.178 2.913 2.913 185 2HB ARG 5 HB1 ARG 5 7.894 2.885 2.885 186 1HG ARG 5 HG2 ARG 5 8.472 2.548 2.548 187 2HG ARG 5 HG1 ARG 5 7.162 1.396 1.396 188 1HD ARG 5 HD2 ARG 5 6.727 3.369 3.369 189 2HD ARG 5 HD1 ARG 5 5.561 3.365 3.365 190 HE ARG 5 HE ARG 5 7.298 4.865 4.865 191 1HH1 ARG 5 HH21 ARG 5 5.652 5.719 5.719 192 2HH1 ARG 5 HH22 ARG 5 6.801 6.846 6.846 193 1HH2 ARG 5 HH11 ARG 5 9.350 5.864 5.864 194 2HH2 ARG 5 HH12 ARG 5 8.896 6.926 6.926 195 H PHE 6 HN PHE 6 5.395 1.739 1.739 196 HA PHE 6 HA PHE 6 7.288 1.699 1.699 197 1HB PHE 6 HB2 PHE 6 5.564 3.239 3.239 198 2HB PHE 6 HB1 PHE 6 4.382 2.127 2.127 199 HD1 PHE 6 HD1 PHE 6 6.390 2.944 2.944 200 HD2 PHE 6 HD2 PHE 6 3.155 0.636 0.636 201 HE1 PHE 6 HE1 PHE 6 5.694 2.332 2.332 202 HE2 PHE 6 HE2 PHE 6 2.460 0.019 0.019 203 HZ PHE 6 HZ PHE 6 3.725 0.861 0.861 204 H PHE 7 HN PHE 7 4.556 -0.350 -0.350 205 HA PHE 7 HA PHE 7 4.610 -2.215 -2.215 206 1HB PHE 7 HB2 PHE 7 3.528 -1.862 -1.862 207 2HB PHE 7 HB1 PHE 7 3.914 -3.555 -3.555 208 HD1 PHE 7 HD1 PHE 7 1.187 -1.687 -1.687 209 HD2 PHE 7 HD2 PHE 7 3.550 -3.782 -3.782 210 HE1 PHE 7 HE1 PHE 7 -0.795 -1.881 -1.881 211 HE2 PHE 7 HE2 PHE 7 1.579 -3.973 -3.973 212 HZ PHE 7 HZ PHE 7 -0.604 -3.025 -3.025 213 H LYS 8 HN LYS 8 6.193 -2.503 -2.503 214 HA LYS 8 HA LYS 8 7.575 -4.897 -4.897 215 1HB LYS 8 HB2 LYS 8 7.512 -2.733 -2.733 216 2HB LYS 8 HB1 LYS 8 9.194 -3.115 -3.115 217 1HG LYS 8 HG2 LYS 8 8.766 -5.484 -5.484 218 2HG LYS 8 HG1 LYS 8 7.078 -5.104 -5.104 219 1HD LYS 8 HD2 LYS 8 9.055 -3.442 -3.442 220 2HD LYS 8 HD1 LYS 8 9.023 -5.145 -5.145 221 1HE LYS 8 HE2 LYS 8 6.710 -5.045 -5.045 222 2HE LYS 8 HE1 LYS 8 6.502 -3.471 -3.471 223 1HZ LYS 8 HZ1 LYS 8 8.163 -2.550 -2.550 224 2HZ LYS 8 HZ3 LYS 8 8.255 -4.042 -4.042 225 3HZ LYS 8 HZ2 LYS 8 6.809 -3.151 -3.151 226 H ALA 9 HN ALA 9 8.033 -1.801 -1.801 227 HA ALA 9 HA ALA 9 10.821 -2.251 -2.251 228 1HB ALA 9 HB1 ALA 9 9.190 -0.069 -0.069 229 2HB ALA 9 HB3 ALA 9 9.262 -0.138 -0.138 230 3HB ALA 9 HB2 ALA 9 10.749 -0.002 -0.002 231 H LYS 10 HN LYS 10 7.606 -2.384 -2.384 232 HA LYS 10 HA LYS 10 8.362 -2.729 -2.729 233 1HB LYS 10 HB2 LYS 10 6.136 -2.283 -2.283 234 2HB LYS 10 HB1 LYS 10 5.917 -3.949 -3.949 235 1HG LYS 10 HG2 LYS 10 6.881 -2.314 -2.314 236 2HG LYS 10 HG1 LYS 10 5.377 -1.669 -1.669 237 1HD LYS 10 HD2 LYS 10 5.495 -4.607 -4.607 238 2HD LYS 10 HD1 LYS 10 5.433 -3.646 -3.646 239 1HE LYS 10 HE2 LYS 10 3.553 -2.726 -2.726 240 2HE LYS 10 HE1 LYS 10 3.212 -4.357 -4.357 241 1HZ LYS 10 HZ3 LYS 10 3.656 -3.363 -3.363 242 2HZ LYS 10 HZ2 LYS 10 3.503 -1.843 -1.843 243 3HZ LYS 10 HZ1 LYS 10 2.196 -2.928 -2.928 244 H LYS 11 HN LYS 11 7.058 -5.149 -5.149 245 HA LYS 11 HA LYS 11 7.535 -7.444 -7.444 246 1HB LYS 11 HB2 LYS 11 7.241 -6.709 -6.709 247 2HB LYS 11 HB1 LYS 11 7.973 -8.286 -8.286 248 1HG LYS 11 HG2 LYS 11 5.406 -7.390 -7.390 249 2HG LYS 11 HG1 LYS 11 5.437 -8.288 -8.288 250 1HD LYS 11 HD2 LYS 11 7.076 -9.858 -9.858 251 2HD LYS 11 HD1 LYS 11 6.091 -9.204 -9.204 252 1HE LYS 11 HE2 LYS 11 4.045 -9.983 -9.983 253 2HE LYS 11 HE1 LYS 11 4.955 -10.509 -10.509 254 1HZ LYS 11 HZ1 LYS 11 5.382 -11.492 -11.492 255 2HZ LYS 11 HZ3 LYS 11 4.595 -12.352 -12.352 256 3HZ LYS 11 HZ2 LYS 11 6.249 -11.989 -11.989 257 H LEU 12 HN LEU 12 9.861 -5.373 -5.373 258 HA LEU 12 HA LEU 12 11.970 -7.374 -7.374 259 1HB LEU 12 HB2 LEU 12 11.705 -4.439 -4.439 260 2HB LEU 12 HB1 LEU 12 13.271 -5.251 -5.251 261 HG LEU 12 HG LEU 12 10.792 -6.007 -6.007 262 1HD1 LEU 12 HD12 LEU 12 13.491 -4.906 -4.906 263 2HD1 LEU 12 HD11 LEU 12 12.207 -5.405 -5.405 264 3HD1 LEU 12 HD13 LEU 12 11.962 -4.028 -4.028 265 1HD2 LEU 12 HD22 LEU 12 13.257 -7.461 -7.461 266 2HD2 LEU 12 HD21 LEU 12 11.722 -8.077 -8.077 267 3HD2 LEU 12 HD23 LEU 12 12.917 -7.416 -7.416 268 H ILE 13 HN ILE 13 10.624 -5.616 -5.616 269 HA ILE 13 HA ILE 13 12.927 -6.128 -6.128 270 HB ILE 13 HB ILE 13 12.875 -3.575 -3.575 271 1HG1 ILE 13 HG12 ILE 13 12.619 -2.701 -2.701 272 2HG1 ILE 13 HG11 ILE 13 11.170 -3.636 -3.636 273 1HG2 ILE 13 HG22 ILE 13 14.641 -5.100 -5.100 274 2HG2 ILE 13 HG21 ILE 13 14.198 -4.033 -4.033 275 3HG2 ILE 13 HG23 ILE 13 14.861 -3.358 -3.358 276 1HD1 ILE 13 HD13 ILE 13 11.985 -1.868 -1.868 277 2HD1 ILE 13 HD12 ILE 13 11.563 -1.006 -1.006 278 3HD1 ILE 13 HD11 ILE 13 10.395 -2.094 -2.094 279 H GLU 14 HN GLU 14 10.408 -7.115 -7.115 280 HA GLU 14 HA GLU 14 9.390 -5.796 -5.796 281 1HB GLU 14 HB2 GLU 14 7.978 -6.901 -6.901 282 2HB GLU 14 HB1 GLU 14 7.131 -6.370 -6.370 283 1HG GLU 14 HG2 GLU 14 9.111 -4.538 -4.538 284 2HG GLU 14 HG1 GLU 14 7.525 -4.698 -4.698 285 1H CYS 1 HT2 CYS 1 24.294 -3.802 -3.802 286 2H CYS 1 HT1 CYS 1 25.728 -4.019 -4.019 287 3H CYS 1 HT3 CYS 1 25.315 -2.478 -2.478 288 HA CYS 1 HA CYS 1 24.569 -2.209 -2.209 289 1HB CYS 1 HB2 CYS 1 24.237 -5.216 -5.216 290 2HB CYS 1 HB1 CYS 1 23.806 -4.266 -4.266 291 H TYR 2 HN TYR 2 23.075 -1.551 -1.551 292 HA TYR 2 HA TYR 2 20.392 -1.986 -1.986 293 1HB TYR 2 HB2 TYR 2 21.444 -3.499 -3.499 294 2HB TYR 2 HB1 TYR 2 20.387 -2.298 -2.298 295 HD1 TYR 2 HD1 TYR 2 18.512 -1.793 -1.793 296 HD2 TYR 2 HD2 TYR 2 20.104 -5.471 -5.471 297 HE1 TYR 2 HE1 TYR 2 16.532 -2.979 -2.979 298 HE2 TYR 2 HE2 TYR 2 18.115 -6.674 -6.674 299 HH TYR 2 HH TYR 2 15.550 -5.863 -5.863 300 H LEU 3 HN LEU 3 19.276 -0.811 -0.811 301 HA LEU 3 HA LEU 3 18.920 1.339 1.339 302 1HB LEU 3 HB2 LEU 3 21.826 1.307 1.307 303 2HB LEU 3 HB1 LEU 3 21.075 2.665 2.665 304 HG LEU 3 HG LEU 3 20.864 1.538 1.538 305 1HD1 LEU 3 HD12 LEU 3 19.284 -0.175 -0.175 306 2HD1 LEU 3 HD11 LEU 3 20.722 -1.181 -1.181 307 3HD1 LEU 3 HD13 LEU 3 20.150 -0.672 -0.672 308 1HD2 LEU 3 HD21 LEU 3 22.957 -0.001 -0.001 309 2HD2 LEU 3 HD23 LEU 3 23.187 1.328 1.328 310 3HD2 LEU 3 HD22 LEU 3 22.660 -0.250 -0.250 311 H ARG 4 HN ARG 4 21.380 2.106 2.106 312 HA ARG 4 HA ARG 4 20.062 4.355 4.355 313 1HB ARG 4 HB2 ARG 4 21.581 3.946 3.946 314 2HB ARG 4 HB1 ARG 4 22.419 3.756 3.756 315 1HG ARG 4 HG2 ARG 4 23.119 1.820 1.820 316 2HG ARG 4 HG1 ARG 4 21.626 1.227 1.227 317 1HD ARG 4 HD2 ARG 4 20.569 1.052 1.052 318 2HD ARG 4 HD1 ARG 4 21.388 2.482 2.482 319 HE ARG 4 HE ARG 4 22.514 -0.262 -0.262 320 1HH1 ARG 4 HH11 ARG 4 22.291 1.394 1.394 321 2HH1 ARG 4 HH12 ARG 4 23.922 1.943 1.943 322 1HH2 ARG 4 HH21 ARG 4 24.864 1.173 1.173 323 2HH2 ARG 4 HH22 ARG 4 25.380 1.814 1.814 324 H ARG 5 HN ARG 5 19.825 0.918 0.918 325 HA ARG 5 HA ARG 5 17.981 1.363 1.363 326 1HB ARG 5 HB2 ARG 5 19.603 -0.473 -0.473 327 2HB ARG 5 HB1 ARG 5 18.805 -1.063 -1.063 328 1HG ARG 5 HG2 ARG 5 17.037 -0.662 -0.662 329 2HG ARG 5 HG1 ARG 5 18.239 -1.944 -1.944 330 1HD ARG 5 HD2 ARG 5 16.788 -3.236 -3.236 331 2HD ARG 5 HD1 ARG 5 17.334 -2.286 -2.286 332 HE ARG 5 HE ARG 5 15.467 -0.651 -0.651 333 1HH1 ARG 5 HH21 ARG 5 15.006 -1.912 -1.912 334 2HH1 ARG 5 HH22 ARG 5 13.551 -2.811 -2.811 335 1HH2 ARG 5 HH11 ARG 5 13.774 -2.662 -2.662 336 2HH2 ARG 5 HH12 ARG 5 12.854 -3.232 -3.232 337 H PHE 6 HN PHE 6 17.819 0.699 0.699 338 HA PHE 6 HA PHE 6 14.968 0.033 0.033 339 1HB PHE 6 HB2 PHE 6 16.085 -1.119 -1.119 340 2HB PHE 6 HB1 PHE 6 17.224 0.193 0.193 341 HD1 PHE 6 HD1 PHE 6 13.735 -0.887 -0.887 342 HD2 PHE 6 HD2 PHE 6 16.898 1.773 1.773 343 HE1 PHE 6 HE1 PHE 6 12.422 -0.161 -0.161 344 HE2 PHE 6 HE2 PHE 6 15.588 2.505 2.505 345 HZ PHE 6 HZ PHE 6 13.337 1.543 1.543 346 H PHE 7 HN PHE 7 16.901 2.659 2.659 347 HA PHE 7 HA PHE 7 14.625 4.198 4.198 348 1HB PHE 7 HB2 PHE 7 16.212 5.511 5.511 349 2HB PHE 7 HB1 PHE 7 17.277 4.172 4.172 350 HD1 PHE 7 HD1 PHE 7 15.869 7.296 7.296 351 HD2 PHE 7 HD2 PHE 7 19.231 4.643 4.643 352 HE1 PHE 7 HE1 PHE 7 17.239 8.828 8.828 353 HE2 PHE 7 HE2 PHE 7 20.593 6.172 6.172 354 HZ PHE 7 HZ PHE 7 19.601 8.265 8.265 355 H LYS 8 HN LYS 8 16.266 3.841 3.841 356 HA LYS 8 HA LYS 8 15.672 6.310 6.310 357 1HB LYS 8 HB2 LYS 8 16.447 3.622 3.622 358 2HB LYS 8 HB1 LYS 8 15.430 4.358 4.358 359 1HG LYS 8 HG2 LYS 8 16.936 6.397 6.397 360 2HG LYS 8 HG1 LYS 8 18.026 5.430 5.430 361 1HD LYS 8 HD2 LYS 8 17.465 3.780 3.780 362 2HD LYS 8 HD1 LYS 8 17.637 5.386 5.386 363 1HE LYS 8 HE2 LYS 8 19.682 4.882 4.882 364 2HE LYS 8 HE1 LYS 8 19.747 3.706 3.706 365 1HZ LYS 8 HZ2 LYS 8 19.577 5.568 5.568 366 2HZ LYS 8 HZ1 LYS 8 19.641 6.665 6.665 367 3HZ LYS 8 HZ3 LYS 8 20.977 5.676 5.676 368 H ALA 9 HN ALA 9 13.802 3.268 3.268 369 HA ALA 9 HA ALA 9 11.530 4.368 4.368 370 1HB ALA 9 HB1 ALA 9 12.438 1.886 1.886 371 2HB ALA 9 HB3 ALA 9 10.739 2.174 2.174 372 3HB ALA 9 HB2 ALA 9 11.276 2.120 2.120 373 H LYS 10 HN LYS 10 12.636 4.409 4.409 374 HA LYS 10 HA LYS 10 10.156 4.837 4.837 375 1HB LYS 10 HB2 LYS 10 12.717 4.270 4.270 376 2HB LYS 10 HB1 LYS 10 12.649 5.986 5.986 377 1HG LYS 10 HG2 LYS 10 11.830 5.252 5.252 378 2HG LYS 10 HG1 LYS 10 10.314 5.167 5.167 379 1HD LYS 10 HD2 LYS 10 11.473 2.773 2.773 380 2HD LYS 10 HD1 LYS 10 12.027 2.987 2.987 381 1HE LYS 10 HE2 LYS 10 9.765 3.201 3.201 382 2HE LYS 10 HE1 LYS 10 9.121 3.274 3.274 383 1HZ LYS 10 HZ2 LYS 10 10.603 1.050 1.050 384 2HZ LYS 10 HZ1 LYS 10 10.071 0.985 0.985 385 3HZ LYS 10 HZ3 LYS 10 8.941 1.056 1.056 386 H LYS 11 HN LYS 11 12.795 7.182 7.182 387 HA LYS 11 HA LYS 11 11.529 9.544 9.544 388 1HB LYS 11 HB2 LYS 11 13.398 8.797 8.797 389 2HB LYS 11 HB1 LYS 11 12.965 10.474 10.474 390 1HG LYS 11 HG2 LYS 11 13.875 8.811 8.811 391 2HG LYS 11 HG1 LYS 11 15.096 9.320 9.320 392 1HD LYS 11 HD2 LYS 11 13.262 11.486 11.486 393 2HD LYS 11 HD1 LYS 11 14.142 10.854 10.854 394 1HE LYS 11 HE2 LYS 11 15.966 12.015 12.015 395 2HE LYS 11 HE1 LYS 11 16.002 11.049 11.049 396 1HZ LYS 11 HZ2 LYS 11 14.083 13.271 13.271 397 2HZ LYS 11 HZ1 LYS 11 15.656 13.558 13.558 398 3HZ LYS 11 HZ3 LYS 11 14.611 12.536 12.536 399 H LEU 12 HN LEU 12 10.926 7.504 7.504 400 HA LEU 12 HA LEU 12 9.448 9.379 9.379 401 1HB LEU 12 HB2 LEU 12 9.506 6.358 6.358 402 2HB LEU 12 HB1 LEU 12 8.683 7.247 7.247 403 HG LEU 12 HG LEU 12 11.643 7.272 7.272 404 1HD1 LEU 12 HD11 LEU 12 10.713 5.384 5.384 405 2HD1 LEU 12 HD13 LEU 12 10.141 6.578 6.578 406 3HD1 LEU 12 HD12 LEU 12 11.870 6.389 6.389 407 1HD2 LEU 12 HD22 LEU 12 9.957 9.061 9.061 408 2HD2 LEU 12 HD21 LEU 12 11.138 9.533 9.533 409 3HD2 LEU 12 HD23 LEU 12 11.678 8.824 8.824 410 H ILE 13 HN ILE 13 8.658 7.748 7.748 411 HA ILE 13 HA ILE 13 5.849 8.647 8.647 412 HB ILE 13 HB ILE 13 5.252 6.329 6.329 413 1HG1 ILE 13 HG12 ILE 13 7.138 4.851 4.851 414 2HG1 ILE 13 HG11 ILE 13 8.083 6.022 6.022 415 1HG2 ILE 13 HG22 ILE 13 5.427 7.318 7.318 416 2HG2 ILE 13 HG21 ILE 13 5.923 5.627 5.627 417 3HG2 ILE 13 HG23 ILE 13 4.347 6.069 6.069 418 1HD1 ILE 13 HD13 ILE 13 5.870 4.720 4.720 419 2HD1 ILE 13 HD12 ILE 13 7.229 3.679 3.679 420 3HD1 ILE 13 HD11 ILE 13 7.499 5.129 5.129 421 H GLU 14 HN GLU 14 7.731 9.857 9.857 422 HA GLU 14 HA GLU 14 6.938 9.118 9.118 423 1HB GLU 14 HB2 GLU 14 9.512 10.154 10.154 424 2HB GLU 14 HB1 GLU 14 9.252 9.869 9.869 425 1HG GLU 14 HG2 GLU 14 8.491 7.614 7.614 426 2HG GLU 14 HG1 GLU 14 10.208 8.002 8.002 427 1H CYS 1 HT2 CYS 1 26.676 -2.964 -2.964 428 2H CYS 1 HT1 CYS 1 27.315 -4.399 -4.399 429 3H CYS 1 HT3 CYS 1 26.473 -4.435 -4.435 430 HA CYS 1 HA CYS 1 25.007 -5.271 -5.271 431 1HB CYS 1 HB2 CYS 1 26.249 -2.932 -2.932 432 2HB CYS 1 HB1 CYS 1 24.589 -3.338 -3.338 433 H TYR 2 HN TYR 2 25.217 -3.063 -3.063 434 HA TYR 2 HA TYR 2 22.405 -2.111 -2.111 435 1HB TYR 2 HB2 TYR 2 23.090 -0.068 -0.068 436 2HB TYR 2 HB1 TYR 2 24.599 -0.571 -0.571 437 HD1 TYR 2 HD1 TYR 2 22.695 -0.672 -0.672 438 HD2 TYR 2 HD2 TYR 2 26.529 -0.968 -0.968 439 HE1 TYR 2 HE1 TYR 2 23.775 -0.743 -0.743 440 HE2 TYR 2 HE2 TYR 2 27.622 -1.032 -1.032 441 HH TYR 2 HH TYR 2 26.523 -1.838 -1.838 442 H LEU 3 HN LEU 3 24.660 -3.916 -3.916 443 HA LEU 3 HA LEU 3 23.686 -3.995 -3.995 444 1HB LEU 3 HB2 LEU 3 25.006 -5.795 -5.795 445 2HB LEU 3 HB1 LEU 3 24.212 -6.617 -6.617 446 HG LEU 3 HG LEU 3 25.446 -5.254 -5.254 447 1HD1 LEU 3 HD11 LEU 3 26.082 -3.749 -3.749 448 2HD1 LEU 3 HD13 LEU 3 27.424 -3.944 -3.944 449 3HD1 LEU 3 HD12 LEU 3 25.928 -3.183 -3.183 450 1HD2 LEU 3 HD22 LEU 3 26.659 -7.058 -7.058 451 2HD2 LEU 3 HD21 LEU 3 26.997 -6.879 -6.879 452 3HD2 LEU 3 HD23 LEU 3 27.841 -5.870 -5.870 453 H ARG 4 HN ARG 4 22.725 -6.181 -6.181 454 HA ARG 4 HA ARG 4 20.501 -7.387 -7.387 455 1HB ARG 4 HB2 ARG 4 19.774 -7.693 -7.693 456 2HB ARG 4 HB1 ARG 4 21.518 -7.867 -7.867 457 1HG ARG 4 HG2 ARG 4 20.344 -5.169 -5.169 458 2HG ARG 4 HG1 ARG 4 20.455 -6.353 -6.353 459 1HD ARG 4 HD2 ARG 4 22.667 -4.967 -4.967 460 2HD ARG 4 HD1 ARG 4 22.505 -5.288 -5.288 461 HE ARG 4 HE ARG 4 23.752 -7.055 -7.055 462 1HH1 ARG 4 HH11 ARG 4 22.263 -6.729 -6.729 463 2HH1 ARG 4 HH12 ARG 4 22.367 -8.411 -8.411 464 1HH2 ARG 4 HH21 ARG 4 23.610 -9.346 -9.346 465 2HH2 ARG 4 HH22 ARG 4 23.131 -9.891 -9.891 466 H ARG 5 HN ARG 5 20.915 -4.106 -4.106 467 HA ARG 5 HA ARG 5 18.024 -3.523 -3.523 468 1HB ARG 5 HB2 ARG 5 18.621 -1.851 -1.851 469 2HB ARG 5 HB1 ARG 5 20.242 -2.538 -2.538 470 1HG ARG 5 HG2 ARG 5 20.616 -1.152 -1.152 471 2HG ARG 5 HG1 ARG 5 19.149 -0.286 -0.286 472 1HD ARG 5 HD2 ARG 5 21.382 -0.647 -0.647 473 2HD ARG 5 HD1 ARG 5 21.412 0.684 0.684 474 HE ARG 5 HE ARG 5 19.109 1.294 1.294 475 1HH1 ARG 5 HH21 ARG 5 20.095 -1.366 -1.366 476 2HH1 ARG 5 HH22 ARG 5 19.911 -0.652 -0.652 477 1HH2 ARG 5 HH11 ARG 5 19.385 2.549 2.549 478 2HH2 ARG 5 HH12 ARG 5 19.514 1.565 1.565 479 H PHE 6 HN PHE 6 20.915 -3.132 -3.132 480 HA PHE 6 HA PHE 6 19.640 -1.276 -1.276 481 1HB PHE 6 HB2 PHE 6 21.831 -0.796 -0.796 482 2HB PHE 6 HB1 PHE 6 22.250 -2.263 -2.263 483 HD1 PHE 6 HD1 PHE 6 23.006 -4.207 -4.207 484 HD2 PHE 6 HD2 PHE 6 21.553 -0.818 -0.818 485 HE1 PHE 6 HE1 PHE 6 23.899 -5.169 -5.169 486 HE2 PHE 6 HE2 PHE 6 22.442 -1.776 -1.776 487 HZ PHE 6 HZ PHE 6 23.622 -3.961 -3.961 488 H PHE 7 HN PHE 7 20.768 -4.682 -4.682 489 HA PHE 7 HA PHE 7 19.736 -5.063 -5.063 490 1HB PHE 7 HB2 PHE 7 20.898 -7.028 -7.028 491 2HB PHE 7 HB1 PHE 7 21.594 -6.240 -6.240 492 HD1 PHE 7 HD1 PHE 7 18.649 -8.350 -8.350 493 HD2 PHE 7 HD2 PHE 7 21.527 -7.336 -7.336 494 HE1 PHE 7 HE1 PHE 7 17.784 -10.181 -10.181 495 HE2 PHE 7 HE2 PHE 7 20.661 -9.167 -9.167 496 HZ PHE 7 HZ PHE 7 18.789 -10.589 -10.589 497 H LYS 8 HN LYS 8 18.391 -5.430 -5.430 498 HA LYS 8 HA LYS 8 16.248 -7.182 -7.182 499 1HB LYS 8 HB2 LYS 8 16.990 -5.205 -5.205 500 2HB LYS 8 HB1 LYS 8 15.270 -5.567 -5.567 501 1HG LYS 8 HG2 LYS 8 15.995 -8.049 -8.049 502 2HG LYS 8 HG1 LYS 8 17.558 -7.458 -7.458 503 1HD LYS 8 HD2 LYS 8 15.893 -6.107 -6.107 504 2HD LYS 8 HD1 LYS 8 14.963 -7.586 -7.586 505 1HE LYS 8 HE2 LYS 8 17.416 -8.669 -8.669 506 2HE LYS 8 HE1 LYS 8 17.562 -7.213 -7.213 507 1HZ LYS 8 HZ3 LYS 8 15.113 -8.857 -8.857 508 2HZ LYS 8 HZ2 LYS 8 16.459 -9.283 -9.283 509 3HZ LYS 8 HZ1 LYS 8 15.705 -7.776 -7.776 510 H ALA 9 HN ALA 9 16.417 -3.624 -3.624 511 HA ALA 9 HA ALA 9 13.745 -3.208 -3.208 512 1HB ALA 9 HB2 ALA 9 16.273 -1.673 -1.673 513 2HB ALA 9 HB1 ALA 9 15.072 -0.967 -0.967 514 3HB ALA 9 HB3 ALA 9 14.652 -1.315 -1.315 515 H LYS 10 HN LYS 10 16.805 -3.924 -3.924 516 HA LYS 10 HA LYS 10 16.309 -3.081 -3.081 517 1HB LYS 10 HB2 LYS 10 18.357 -4.083 -4.083 518 2HB LYS 10 HB1 LYS 10 17.783 -5.563 -5.563 519 1HG LYS 10 HG2 LYS 10 19.283 -4.765 -4.765 520 2HG LYS 10 HG1 LYS 10 17.741 -4.140 -4.140 521 1HD LYS 10 HD2 LYS 10 18.169 -1.992 -1.992 522 2HD LYS 10 HD1 LYS 10 19.689 -2.610 -2.610 523 1HE LYS 10 HE2 LYS 10 20.585 -1.676 -1.676 524 2HE LYS 10 HE1 LYS 10 19.978 -3.146 -3.146 525 1HZ LYS 10 HZ1 LYS 10 17.844 -2.017 -2.017 526 2HZ LYS 10 HZ3 LYS 10 18.487 -0.597 -0.597 527 3HZ LYS 10 HZ2 LYS 10 19.107 -1.206 -1.206 528 H LYS 11 HN LYS 11 16.130 -6.422 -6.422 529 HA LYS 11 HA LYS 11 14.937 -7.770 -7.770 530 1HB LYS 11 HB2 LYS 11 14.528 -7.798 -7.798 531 2HB LYS 11 HB1 LYS 11 13.611 -8.909 -8.909 532 1HG LYS 11 HG2 LYS 11 16.497 -8.767 -8.767 533 2HG LYS 11 HG1 LYS 11 16.111 -9.438 -9.438 534 1HD LYS 11 HD2 LYS 11 14.248 -10.583 -10.583 535 2HD LYS 11 HD1 LYS 11 15.801 -10.653 -10.653 536 1HE LYS 11 HE2 LYS 11 15.640 -11.463 -11.463 537 2HE LYS 11 HE1 LYS 11 15.164 -12.611 -12.611 538 1HZ LYS 11 HZ3 LYS 11 17.360 -11.679 -11.679 539 2HZ LYS 11 HZ2 LYS 11 17.780 -11.413 -11.413 540 3HZ LYS 11 HZ1 LYS 11 17.397 -12.980 -12.980 541 H LEU 12 HN LEU 12 13.329 -5.420 -5.420 542 HA LEU 12 HA LEU 12 10.649 -5.932 -5.932 543 1HB LEU 12 HB2 LEU 12 11.887 -3.347 -3.347 544 2HB LEU 12 HB1 LEU 12 10.202 -3.844 -3.844 545 HG LEU 12 HG LEU 12 12.635 -5.019 -5.019 546 1HD1 LEU 12 HD11 LEU 12 11.023 -3.015 -3.015 547 2HD1 LEU 12 HD13 LEU 12 10.080 -4.386 -4.386 548 3HD1 LEU 12 HD12 LEU 12 11.742 -4.163 -4.163 549 1HD2 LEU 12 HD22 LEU 12 11.217 -6.855 -6.855 550 2HD2 LEU 12 HD21 LEU 12 11.152 -6.777 -6.777 551 3HD2 LEU 12 HD23 LEU 12 9.816 -6.143 -6.143 552 H ILE 13 HN ILE 13 13.273 -4.347 -4.347 553 HA ILE 13 HA ILE 13 11.481 -3.559 -3.559 554 HB ILE 13 HB ILE 13 12.580 -1.306 -1.306 555 1HG1 ILE 13 HG12 ILE 13 13.412 -1.021 -1.021 556 2HG1 ILE 13 HG11 ILE 13 14.008 -2.628 -2.628 557 1HG2 ILE 13 HG21 ILE 13 10.349 -1.876 -1.876 558 2HG2 ILE 13 HG23 ILE 13 11.245 -1.911 -1.911 559 3HG2 ILE 13 HG22 ILE 13 11.160 -0.420 -0.420 560 1HD1 ILE 13 HD13 ILE 13 14.459 -0.725 -0.725 561 2HD1 ILE 13 HD12 ILE 13 15.244 -0.227 -0.227 562 3HD1 ILE 13 HD11 ILE 13 15.604 -1.805 -1.805 563 H GLU 14 HN GLU 14 14.640 -4.039 -4.039 564 HA GLU 14 HA GLU 14 16.693 -4.494 -4.494 565 1HB GLU 14 HB2 GLU 14 14.918 -5.893 -5.893 566 2HB GLU 14 HB1 GLU 14 16.430 -6.451 -6.451 567 1HG GLU 14 HG2 GLU 14 14.786 -6.112 -6.112 568 2HG GLU 14 HG1 GLU 14 13.685 -6.745 -6.745 Start of MODEL 6 1 1H CYS 1 HT2 CYS 1 0.700 3.391 3.391 2 2H CYS 1 HT1 CYS 1 0.268 5.030 5.030 3 3H CYS 1 HT3 CYS 1 0.585 4.348 4.348 4 HA CYS 1 HA CYS 1 2.556 5.500 5.500 5 1HB CYS 1 HB2 CYS 1 3.510 5.368 5.368 6 2HB CYS 1 HB1 CYS 1 1.907 6.115 6.115 7 H TYR 2 HN TYR 2 4.761 4.690 4.690 8 HA TYR 2 HA TYR 2 5.482 2.025 2.025 9 1HB TYR 2 HB2 TYR 2 4.972 0.853 0.853 10 2HB TYR 2 HB1 TYR 2 3.850 2.178 2.178 11 HD1 TYR 2 HD1 TYR 2 7.308 0.979 0.979 12 HD2 TYR 2 HD2 TYR 2 4.283 3.768 3.768 13 HE1 TYR 2 HE1 TYR 2 8.753 1.735 1.735 14 HE2 TYR 2 HE2 TYR 2 5.707 4.516 4.516 15 HH TYR 2 HH TYR 2 8.453 2.812 2.812 16 H LEU 3 HN LEU 3 5.900 4.682 4.682 17 HA LEU 3 HA LEU 3 8.592 4.509 4.509 18 1HB LEU 3 HB2 LEU 3 6.984 6.104 6.104 19 2HB LEU 3 HB1 LEU 3 6.877 6.876 6.876 20 HG LEU 3 HG LEU 3 9.555 6.714 6.714 21 1HD1 LEU 3 HD12 LEU 3 8.275 6.456 6.456 22 2HD1 LEU 3 HD11 LEU 3 8.724 8.162 8.162 23 3HD1 LEU 3 HD13 LEU 3 9.961 6.915 6.915 24 1HD2 LEU 3 HD23 LEU 3 7.530 8.684 8.684 25 2HD2 LEU 3 HD22 LEU 3 9.254 8.795 8.795 26 3HD2 LEU 3 HD21 LEU 3 8.646 9.288 9.288 27 H ARG 4 HN ARG 4 7.036 6.116 6.116 28 HA ARG 4 HA ARG 4 9.321 6.948 6.948 29 1HB ARG 4 HB2 ARG 4 6.839 5.685 5.685 30 2HB ARG 4 HB1 ARG 4 7.808 7.003 7.003 31 1HG ARG 4 HG2 ARG 4 6.282 8.386 8.386 32 2HG ARG 4 HG1 ARG 4 7.041 7.976 7.976 33 1HD ARG 4 HD2 ARG 4 5.435 5.889 5.889 34 2HD ARG 4 HD1 ARG 4 4.508 6.877 6.877 35 HE ARG 4 HE ARG 4 4.788 7.413 7.413 36 1HH1 ARG 4 HH21 ARG 4 2.843 8.191 8.191 37 2HH1 ARG 4 HH22 ARG 4 2.801 9.903 9.903 38 1HH2 ARG 4 HH11 ARG 4 5.434 9.892 9.892 39 2HH2 ARG 4 HH12 ARG 4 4.267 10.865 10.865 40 H ARG 5 HN ARG 5 7.714 3.834 3.834 41 HA ARG 5 HA ARG 5 9.254 2.371 2.371 42 1HB ARG 5 HB2 ARG 5 7.734 0.818 0.818 43 2HB ARG 5 HB1 ARG 5 7.106 1.982 1.982 44 1HG ARG 5 HG2 ARG 5 8.817 1.106 1.106 45 2HG ARG 5 HG1 ARG 5 9.173 -0.176 -0.176 46 1HD ARG 5 HD2 ARG 5 6.460 0.393 0.393 47 2HD ARG 5 HD1 ARG 5 7.514 -0.986 -0.986 48 HE ARG 5 HE ARG 5 6.449 -0.508 -0.508 49 1HH1 ARG 5 HH21 ARG 5 8.448 -2.655 -2.655 50 2HH1 ARG 5 HH22 ARG 5 7.479 -4.061 -4.061 51 1HH2 ARG 5 HH11 ARG 5 4.658 -2.256 -2.256 52 2HH2 ARG 5 HH12 ARG 5 5.334 -3.835 -3.835 53 H PHE 6 HN PHE 6 9.667 2.859 2.859 54 HA PHE 6 HA PHE 6 12.051 1.256 1.256 55 1HB PHE 6 HB2 PHE 6 11.241 1.567 1.567 56 2HB PHE 6 HB1 PHE 6 10.371 3.014 3.014 57 HD1 PHE 6 HD1 PHE 6 13.401 1.665 1.665 58 HD2 PHE 6 HD2 PHE 6 11.468 5.209 5.209 59 HE1 PHE 6 HE1 PHE 6 15.059 3.048 3.048 60 HE2 PHE 6 HE2 PHE 6 13.125 6.596 6.596 61 HZ PHE 6 HZ PHE 6 14.937 5.526 5.526 62 H PHE 7 HN PHE 7 11.519 4.780 4.780 63 HA PHE 7 HA PHE 7 14.155 5.675 5.675 64 1HB PHE 7 HB2 PHE 7 11.530 6.538 6.538 65 2HB PHE 7 HB1 PHE 7 12.904 7.378 7.378 66 HD1 PHE 7 HD1 PHE 7 14.861 7.774 7.774 67 HD2 PHE 7 HD2 PHE 7 10.630 7.589 7.589 68 HE1 PHE 7 HE1 PHE 7 15.163 9.057 9.057 69 HE2 PHE 7 HE2 PHE 7 10.931 8.885 8.885 70 HZ PHE 7 HZ PHE 7 13.199 9.621 9.621 71 H LYS 8 HN LYS 8 12.219 4.398 4.398 72 HA LYS 8 HA LYS 8 13.850 4.962 4.962 73 1HB LYS 8 HB2 LYS 8 11.782 3.125 3.125 74 2HB LYS 8 HB1 LYS 8 12.925 2.337 2.337 75 1HG LYS 8 HG2 LYS 8 12.358 3.664 3.664 76 2HG LYS 8 HG1 LYS 8 12.122 5.085 5.085 77 1HD LYS 8 HD2 LYS 8 9.983 4.294 4.294 78 2HD LYS 8 HD1 LYS 8 9.971 4.199 4.199 79 1HE LYS 8 HE2 LYS 8 9.085 2.100 2.100 80 2HE LYS 8 HE1 LYS 8 10.768 1.754 1.754 81 1HZ LYS 8 HZ3 LYS 8 10.402 2.769 2.769 82 2HZ LYS 8 HZ2 LYS 8 9.722 1.236 1.236 83 3HZ LYS 8 HZ1 LYS 8 11.376 1.496 1.496 84 H ALA 9 HN ALA 9 14.503 2.891 2.891 85 HA ALA 9 HA ALA 9 16.715 1.540 1.540 86 1HB ALA 9 HB1 ALA 9 14.874 0.579 0.579 87 2HB ALA 9 HB3 ALA 9 16.034 1.134 1.134 88 3HB ALA 9 HB2 ALA 9 16.518 -0.060 -0.060 89 H LYS 10 HN LYS 10 16.008 4.074 4.074 90 HA LYS 10 HA LYS 10 18.561 4.281 4.281 91 1HB LYS 10 HB2 LYS 10 16.049 5.208 5.208 92 2HB LYS 10 HB1 LYS 10 16.825 6.613 6.613 93 1HG LYS 10 HG2 LYS 10 17.241 6.938 6.938 94 2HG LYS 10 HG1 LYS 10 18.720 6.139 6.139 95 1HD LYS 10 HD2 LYS 10 17.621 3.937 3.937 96 2HD LYS 10 HD1 LYS 10 16.358 4.888 4.888 97 1HE LYS 10 HE2 LYS 10 18.378 6.090 6.090 98 2HE LYS 10 HE1 LYS 10 19.250 4.602 4.602 99 1HZ LYS 10 HZ3 LYS 10 17.034 3.518 3.518 100 2HZ LYS 10 HZ2 LYS 10 16.916 4.957 4.957 101 3HZ LYS 10 HZ1 LYS 10 18.262 3.939 3.939 102 H LYS 11 HN LYS 11 16.982 6.281 6.281 103 HA LYS 11 HA LYS 11 19.081 7.990 7.990 104 1HB LYS 11 HB2 LYS 11 16.629 7.046 7.046 105 2HB LYS 11 HB1 LYS 11 17.835 7.100 7.100 106 1HG LYS 11 HG2 LYS 11 17.461 9.404 9.404 107 2HG LYS 11 HG1 LYS 11 16.503 9.262 9.262 108 1HD LYS 11 HD2 LYS 11 18.556 9.195 9.195 109 2HD LYS 11 HD1 LYS 11 19.534 9.296 9.296 110 1HE LYS 11 HE2 LYS 11 18.759 11.518 11.518 111 2HE LYS 11 HE1 LYS 11 17.490 11.407 11.407 112 1HZ LYS 11 HZ2 LYS 11 19.530 10.799 10.799 113 2HZ LYS 11 HZ1 LYS 11 20.390 11.691 11.691 114 3HZ LYS 11 HZ3 LYS 11 19.128 12.423 12.423 115 H LEU 12 HN LEU 12 18.779 4.576 4.576 116 HA LEU 12 HA LEU 12 20.743 4.386 4.386 117 1HB LEU 12 HB2 LEU 12 19.829 2.342 2.342 118 2HB LEU 12 HB1 LEU 12 20.543 1.999 1.999 119 HG LEU 12 HG LEU 12 17.866 3.287 3.287 120 1HD1 LEU 12 HD13 LEU 12 18.245 0.725 0.725 121 2HD1 LEU 12 HD12 LEU 12 18.489 0.947 0.947 122 3HD1 LEU 12 HD11 LEU 12 16.948 1.386 1.386 123 1HD2 LEU 12 HD22 LEU 12 19.672 3.545 3.545 124 2HD2 LEU 12 HD21 LEU 12 18.277 4.526 4.526 125 3HD2 LEU 12 HD23 LEU 12 18.045 3.012 3.012 126 H ILE 13 HN ILE 13 21.021 4.852 4.852 127 HA ILE 13 HA ILE 13 23.958 4.560 4.560 128 HB ILE 13 HB ILE 13 23.782 3.318 3.318 129 1HG1 ILE 13 HG12 ILE 13 21.480 1.861 1.861 130 2HG1 ILE 13 HG11 ILE 13 20.994 3.543 3.543 131 1HG2 ILE 13 HG21 ILE 13 23.862 2.464 2.464 132 2HG2 ILE 13 HG23 ILE 13 22.852 1.324 1.324 133 3HG2 ILE 13 HG22 ILE 13 24.505 1.636 1.636 134 1HD1 ILE 13 HD11 ILE 13 22.547 2.510 2.510 135 2HD1 ILE 13 HD13 ILE 13 20.784 2.546 2.546 136 3HD1 ILE 13 HD12 ILE 13 21.699 4.049 4.049 137 H GLU 14 HN GLU 14 22.655 6.935 6.935 138 HA GLU 14 HA GLU 14 23.297 7.851 7.851 139 1HB GLU 14 HB2 GLU 14 21.008 8.489 8.489 140 2HB GLU 14 HB1 GLU 14 21.292 9.334 9.334 141 1HG GLU 14 HG2 GLU 14 21.255 6.358 6.358 142 2HG GLU 14 HG1 GLU 14 19.712 7.177 7.177 143 1H CYS 1 HT2 CYS 1 0.484 5.747 5.747 144 2H CYS 1 HT1 CYS 1 -0.659 5.043 5.043 145 3H CYS 1 HT3 CYS 1 0.112 4.093 4.093 146 HA CYS 1 HA CYS 1 1.185 3.574 3.574 147 1HB CYS 1 HB2 CYS 1 0.592 6.439 6.439 148 2HB CYS 1 HB1 CYS 1 2.160 5.954 5.954 149 H TYR 2 HN TYR 2 1.841 4.839 4.839 150 HA TYR 2 HA TYR 2 4.791 4.921 4.921 151 1HB TYR 2 HB2 TYR 2 4.895 6.596 6.596 152 2HB TYR 2 HB1 TYR 2 3.282 6.903 6.903 153 HD1 TYR 2 HD1 TYR 2 5.133 5.068 5.068 154 HD2 TYR 2 HD2 TYR 2 1.366 6.670 6.670 155 HE1 TYR 2 HE1 TYR 2 4.165 4.524 4.524 156 HE2 TYR 2 HE2 TYR 2 0.386 6.138 6.138 157 HH TYR 2 HH TYR 2 0.932 4.393 4.393 158 H LEU 3 HN LEU 3 2.123 3.428 3.428 159 HA LEU 3 HA LEU 3 3.197 2.127 2.127 160 1HB LEU 3 HB2 LEU 3 1.167 1.606 1.606 161 2HB LEU 3 HB1 LEU 3 1.677 0.185 0.185 162 HG LEU 3 HG LEU 3 1.195 1.354 1.354 163 1HD1 LEU 3 HD12 LEU 3 1.698 3.637 3.637 164 2HD1 LEU 3 HD11 LEU 3 0.074 3.593 3.593 165 3HD1 LEU 3 HD13 LEU 3 0.292 3.565 3.565 166 1HD2 LEU 3 HD22 LEU 3 -0.599 0.093 0.093 167 2HD2 LEU 3 HD21 LEU 3 -1.204 1.296 1.296 168 3HD2 LEU 3 HD23 LEU 3 -1.161 1.659 1.659 169 H ARG 4 HN ARG 4 3.080 0.740 0.740 170 HA ARG 4 HA ARG 4 4.766 -1.442 -1.442 171 1HB ARG 4 HB2 ARG 4 5.258 -1.098 -1.098 172 2HB ARG 4 HB1 ARG 4 3.564 -0.777 -0.777 173 1HG ARG 4 HG2 ARG 4 5.537 1.481 1.481 174 2HG ARG 4 HG1 ARG 4 4.975 0.920 0.920 175 1HD ARG 4 HD2 ARG 4 3.428 2.272 2.272 176 2HD ARG 4 HD1 ARG 4 3.386 2.554 2.554 177 HE ARG 4 HE ARG 4 1.722 0.676 0.676 178 1HH1 ARG 4 HH21 ARG 4 2.620 1.829 1.829 179 2HH1 ARG 4 HH22 ARG 4 2.132 0.421 0.421 180 1HH2 ARG 4 HH11 ARG 4 1.519 -1.472 -1.472 181 2HH2 ARG 4 HH12 ARG 4 1.506 -1.448 -1.448 182 H ARG 5 HN ARG 5 5.557 1.975 1.975 183 HA ARG 5 HA ARG 5 8.460 1.486 1.486 184 1HB ARG 5 HB2 ARG 5 8.467 3.666 3.666 185 2HB ARG 5 HB1 ARG 5 6.711 3.578 3.578 186 1HG ARG 5 HG2 ARG 5 6.929 4.105 4.105 187 2HG ARG 5 HG1 ARG 5 8.582 4.581 4.581 188 1HD ARG 5 HD2 ARG 5 6.291 5.685 5.685 189 2HD ARG 5 HD1 ARG 5 6.732 6.421 6.421 190 HE ARG 5 HE ARG 5 9.167 6.166 6.166 191 1HH1 ARG 5 HH11 ARG 5 7.053 6.312 6.312 192 2HH1 ARG 5 HH12 ARG 5 7.298 7.961 7.961 193 1HH2 ARG 5 HH21 ARG 5 9.086 8.788 8.788 194 2HH2 ARG 5 HH22 ARG 5 8.449 9.361 9.361 195 H PHE 6 HN PHE 6 6.038 2.289 2.289 196 HA PHE 6 HA PHE 6 8.036 2.496 2.496 197 1HB PHE 6 HB2 PHE 6 6.211 3.900 3.900 198 2HB PHE 6 HB1 PHE 6 5.087 2.698 2.698 199 HD1 PHE 6 HD1 PHE 6 7.146 3.701 3.701 200 HD2 PHE 6 HD2 PHE 6 4.112 1.057 1.057 201 HE1 PHE 6 HE1 PHE 6 6.646 3.001 3.001 202 HE2 PHE 6 HE2 PHE 6 3.607 0.350 0.350 203 HZ PHE 6 HZ PHE 6 4.871 1.318 1.318 204 H PHE 7 HN PHE 7 5.372 0.262 0.262 205 HA PHE 7 HA PHE 7 5.759 -1.641 -1.641 206 1HB PHE 7 HB2 PHE 7 4.376 -1.308 -1.308 207 2HB PHE 7 HB1 PHE 7 5.018 -2.948 -2.948 208 HD1 PHE 7 HD1 PHE 7 2.152 -1.222 -1.222 209 HD2 PHE 7 HD2 PHE 7 4.938 -3.736 -3.736 210 HE1 PHE 7 HE1 PHE 7 0.387 -1.824 -1.824 211 HE2 PHE 7 HE2 PHE 7 3.181 -4.336 -4.336 212 HZ PHE 7 HZ PHE 7 0.899 -3.383 -3.383 213 H LYS 8 HN LYS 8 7.324 -1.384 -1.384 214 HA LYS 8 HA LYS 8 8.759 -3.762 -3.762 215 1HB LYS 8 HB2 LYS 8 8.796 -1.178 -1.178 216 2HB LYS 8 HB1 LYS 8 10.455 -1.636 -1.636 217 1HG LYS 8 HG2 LYS 8 9.929 -3.883 -3.883 218 2HG LYS 8 HG1 LYS 8 8.449 -3.134 -3.134 219 1HD LYS 8 HD2 LYS 8 10.941 -1.588 -1.588 220 2HD LYS 8 HD1 LYS 8 10.790 -3.081 -3.081 221 1HE LYS 8 HE2 LYS 8 8.284 -2.042 -2.042 222 2HE LYS 8 HE1 LYS 8 9.256 -0.560 -0.560 223 1HZ LYS 8 HZ1 LYS 8 10.839 -2.084 -2.084 224 2HZ LYS 8 HZ3 LYS 8 9.340 -2.722 -2.722 225 3HZ LYS 8 HZ2 LYS 8 9.659 -1.066 -1.066 226 H ALA 9 HN ALA 9 9.153 -1.062 -1.062 227 HA ALA 9 HA ALA 9 11.785 -1.940 -1.940 228 1HB ALA 9 HB1 ALA 9 10.137 0.439 0.439 229 2HB ALA 9 HB3 ALA 9 10.674 0.067 0.067 230 3HB ALA 9 HB2 ALA 9 11.859 0.297 0.297 231 H LYS 10 HN LYS 10 8.417 -2.158 -2.158 232 HA LYS 10 HA LYS 10 8.548 -2.865 -2.865 233 1HB LYS 10 HB2 LYS 10 6.673 -2.229 -2.229 234 2HB LYS 10 HB1 LYS 10 6.507 -3.977 -3.977 235 1HG LYS 10 HG2 LYS 10 5.056 -3.447 -3.447 236 2HG LYS 10 HG1 LYS 10 6.553 -3.627 -3.627 237 1HD LYS 10 HD2 LYS 10 6.288 -0.949 -0.949 238 2HD LYS 10 HD1 LYS 10 4.924 -1.358 -1.358 239 1HE LYS 10 HE2 LYS 10 7.725 -1.968 -1.968 240 2HE LYS 10 HE1 LYS 10 7.069 -0.329 -0.329 241 1HZ LYS 10 HZ3 LYS 10 5.400 -2.629 -2.629 242 2HZ LYS 10 HZ2 LYS 10 6.608 -2.116 -2.116 243 3HZ LYS 10 HZ1 LYS 10 5.378 -1.044 -1.044 244 H LYS 11 HN LYS 11 7.933 -4.986 -4.986 245 HA LYS 11 HA LYS 11 8.166 -7.468 -7.468 246 1HB LYS 11 HB2 LYS 11 9.042 -6.417 -6.417 247 2HB LYS 11 HB1 LYS 11 9.100 -8.137 -8.137 248 1HG LYS 11 HG2 LYS 11 6.640 -6.362 -6.362 249 2HG LYS 11 HG1 LYS 11 6.983 -7.630 -7.630 250 1HD LYS 11 HD2 LYS 11 7.118 -9.238 -9.238 251 2HD LYS 11 HD1 LYS 11 6.396 -7.945 -7.945 252 1HE LYS 11 HE2 LYS 11 4.590 -7.868 -7.868 253 2HE LYS 11 HE1 LYS 11 5.186 -9.492 -9.492 254 1HZ LYS 11 HZ3 LYS 11 5.070 -9.728 -9.728 255 2HZ LYS 11 HZ2 LYS 11 3.867 -8.540 -8.540 256 3HZ LYS 11 HZ1 LYS 11 3.713 -10.030 -10.030 257 H LEU 12 HN LEU 12 10.762 -5.262 -5.262 258 HA LEU 12 HA LEU 12 12.934 -7.074 -7.074 259 1HB LEU 12 HB2 LEU 12 12.592 -4.086 -4.086 260 2HB LEU 12 HB1 LEU 12 14.177 -4.814 -4.814 261 HG LEU 12 HG LEU 12 12.307 -5.387 -5.387 262 1HD1 LEU 12 HD11 LEU 12 14.999 -4.003 -4.003 263 2HD1 LEU 12 HD13 LEU 12 14.170 -4.399 -4.399 264 3HD1 LEU 12 HD12 LEU 12 13.456 -3.241 -3.241 265 1HD2 LEU 12 HD23 LEU 12 14.761 -6.725 -6.725 266 2HD2 LEU 12 HD22 LEU 12 13.379 -7.420 -7.420 267 3HD2 LEU 12 HD21 LEU 12 14.622 -6.552 -6.552 268 H ILE 13 HN ILE 13 10.797 -5.672 -5.672 269 HA ILE 13 HA ILE 13 12.664 -6.259 -6.259 270 HB ILE 13 HB ILE 13 11.784 -4.022 -4.022 271 1HG1 ILE 13 HG12 ILE 13 11.783 -2.554 -2.554 272 2HG1 ILE 13 HG11 ILE 13 10.712 -3.907 -3.907 273 1HG2 ILE 13 HG23 ILE 13 14.126 -4.713 -4.713 274 2HG2 ILE 13 HG22 ILE 13 13.652 -3.528 -3.528 275 3HG2 ILE 13 HG21 ILE 13 13.794 -3.046 -3.046 276 1HD1 ILE 13 HD13 ILE 13 10.461 -2.458 -2.458 277 2HD1 ILE 13 HD12 ILE 13 9.763 -1.741 -1.741 278 3HD1 ILE 13 HD11 ILE 13 9.230 -3.333 -3.333 279 H GLU 14 HN GLU 14 10.546 -7.789 -7.789 280 HA GLU 14 HA GLU 14 8.601 -7.365 -7.365 281 1HB GLU 14 HB2 GLU 14 8.277 -8.231 -8.231 282 2HB GLU 14 HB1 GLU 14 6.958 -8.255 -8.255 283 1HG GLU 14 HG2 GLU 14 8.523 -5.746 -5.746 284 2HG GLU 14 HG1 GLU 14 7.461 -6.123 -6.123 285 1H CYS 1 HT3 CYS 1 23.119 -5.213 -5.213 286 2H CYS 1 HT2 CYS 1 24.778 -4.850 -4.850 287 3H CYS 1 HT1 CYS 1 23.664 -3.685 -3.685 288 HA CYS 1 HA CYS 1 24.054 -2.956 -2.956 289 1HB CYS 1 HB2 CYS 1 24.418 -5.919 -5.919 290 2HB CYS 1 HB1 CYS 1 24.123 -4.909 -4.909 291 H TYR 2 HN TYR 2 21.745 -2.842 -2.842 292 HA TYR 2 HA TYR 2 19.847 -2.955 -2.955 293 1HB TYR 2 HB2 TYR 2 18.791 -4.950 -4.950 294 2HB TYR 2 HB1 TYR 2 20.303 -5.383 -5.383 295 HD1 TYR 2 HD1 TYR 2 20.343 -5.883 -5.883 296 HD2 TYR 2 HD2 TYR 2 16.999 -3.789 -3.789 297 HE1 TYR 2 HE1 TYR 2 19.164 -6.054 -6.054 298 HE2 TYR 2 HE2 TYR 2 15.806 -3.950 -3.950 299 HH TYR 2 HH TYR 2 17.385 -5.036 -5.036 300 H LEU 3 HN LEU 3 20.531 -2.672 -2.672 301 HA LEU 3 HA LEU 3 18.235 -1.499 -1.499 302 1HB LEU 3 HB2 LEU 3 21.141 -1.264 -1.264 303 2HB LEU 3 HB1 LEU 3 20.216 0.059 0.059 304 HG LEU 3 HG LEU 3 18.858 -1.603 -1.603 305 1HD1 LEU 3 HD11 LEU 3 19.552 -3.403 -3.403 306 2HD1 LEU 3 HD13 LEU 3 20.884 -3.694 -3.694 307 3HD1 LEU 3 HD12 LEU 3 19.218 -3.896 -3.896 308 1HD2 LEU 3 HD23 LEU 3 21.500 -0.809 -0.809 309 2HD2 LEU 3 HD22 LEU 3 20.328 -1.391 -1.391 310 3HD2 LEU 3 HD21 LEU 3 21.436 -2.523 -2.523 311 H ARG 4 HN ARG 4 20.580 -0.302 -0.302 312 HA ARG 4 HA ARG 4 19.840 2.453 2.453 313 1HB ARG 4 HB2 ARG 4 20.830 0.706 0.706 314 2HB ARG 4 HB1 ARG 4 21.184 2.406 2.406 315 1HG ARG 4 HG2 ARG 4 23.088 1.717 1.717 316 2HG ARG 4 HG1 ARG 4 22.067 1.214 1.214 317 1HD ARG 4 HD2 ARG 4 23.736 -0.512 -0.512 318 2HD ARG 4 HD1 ARG 4 22.126 -1.059 -1.059 319 HE ARG 4 HE ARG 4 21.635 -1.344 -1.344 320 1HH1 ARG 4 HH11 ARG 4 24.502 0.495 0.495 321 2HH1 ARG 4 HH12 ARG 4 24.622 0.945 0.945 322 1HH2 ARG 4 HH21 ARG 4 21.635 -0.567 -0.567 323 2HH2 ARG 4 HH22 ARG 4 23.000 0.343 0.343 324 H ARG 5 HN ARG 5 18.902 -0.431 -0.431 325 HA ARG 5 HA ARG 5 16.884 0.968 0.968 326 1HB ARG 5 HB2 ARG 5 16.656 -1.091 -1.091 327 2HB ARG 5 HB1 ARG 5 18.226 -1.347 -1.347 328 1HG ARG 5 HG2 ARG 5 16.679 -2.135 -2.135 329 2HG ARG 5 HG1 ARG 5 15.548 -2.457 -2.457 330 1HD ARG 5 HD2 ARG 5 18.405 -3.435 -3.435 331 2HD ARG 5 HD1 ARG 5 17.125 -4.392 -4.392 332 HE ARG 5 HE ARG 5 16.123 -4.695 -4.695 333 1HH1 ARG 5 HH21 ARG 5 19.227 -3.904 -3.904 334 2HH1 ARG 5 HH22 ARG 5 19.002 -3.068 -3.068 335 1HH2 ARG 5 HH11 ARG 5 15.549 -2.933 -2.933 336 2HH2 ARG 5 HH12 ARG 5 16.921 -2.518 -2.518 337 H PHE 6 HN PHE 6 16.981 -0.199 -0.199 338 HA PHE 6 HA PHE 6 14.064 -0.578 -0.578 339 1HB PHE 6 HB2 PHE 6 15.046 -2.158 -2.158 340 2HB PHE 6 HB1 PHE 6 16.493 -1.193 -1.193 341 HD1 PHE 6 HD1 PHE 6 16.902 -0.876 -0.876 342 HD2 PHE 6 HD2 PHE 6 12.886 -0.646 -0.646 343 HE1 PHE 6 HE1 PHE 6 16.118 -0.276 -0.276 344 HE2 PHE 6 HE2 PHE 6 12.093 -0.043 -0.043 345 HZ PHE 6 HZ PHE 6 13.705 0.149 0.149 346 H PHE 7 HN PHE 7 16.430 1.340 1.340 347 HA PHE 7 HA PHE 7 14.453 3.039 3.039 348 1HB PHE 7 HB2 PHE 7 16.259 4.020 4.020 349 2HB PHE 7 HB1 PHE 7 17.002 2.515 2.515 350 HD1 PHE 7 HD1 PHE 7 16.384 6.019 6.019 351 HD2 PHE 7 HD2 PHE 7 18.973 2.590 2.590 352 HE1 PHE 7 HE1 PHE 7 18.072 7.306 7.306 353 HE2 PHE 7 HE2 PHE 7 20.658 3.875 3.875 354 HZ PHE 7 HZ PHE 7 20.211 6.236 6.236 355 H LYS 8 HN LYS 8 16.025 3.114 3.114 356 HA LYS 8 HA LYS 8 15.746 5.826 5.826 357 1HB LYS 8 HB2 LYS 8 15.972 3.249 3.249 358 2HB LYS 8 HB1 LYS 8 15.163 4.473 4.473 359 1HG LYS 8 HG2 LYS 8 17.138 6.009 6.009 360 2HG LYS 8 HG1 LYS 8 17.955 4.487 4.487 361 1HD LYS 8 HD2 LYS 8 16.720 4.242 4.242 362 2HD LYS 8 HD1 LYS 8 17.621 5.759 5.759 363 1HE LYS 8 HE2 LYS 8 19.669 4.655 4.655 364 2HE LYS 8 HE1 LYS 8 18.828 3.148 3.148 365 1HZ LYS 8 HZ3 LYS 8 18.274 4.219 4.219 366 2HZ LYS 8 HZ2 LYS 8 19.854 3.637 3.637 367 3HZ LYS 8 HZ1 LYS 8 18.524 2.613 2.613 368 H ALA 9 HN ALA 9 13.437 3.167 3.167 369 HA ALA 9 HA ALA 9 11.291 4.709 4.709 370 1HB ALA 9 HB3 ALA 9 11.718 2.152 2.152 371 2HB ALA 9 HB2 ALA 9 11.001 2.282 2.282 372 3HB ALA 9 HB1 ALA 9 10.055 2.714 2.714 373 H LYS 10 HN LYS 10 12.384 4.100 4.100 374 HA LYS 10 HA LYS 10 10.096 4.968 4.968 375 1HB LYS 10 HB2 LYS 10 12.494 3.828 3.828 376 2HB LYS 10 HB1 LYS 10 12.780 5.467 5.467 377 1HG LYS 10 HG2 LYS 10 10.193 4.489 4.489 378 2HG LYS 10 HG1 LYS 10 11.506 3.448 3.448 379 1HD LYS 10 HD2 LYS 10 11.769 6.421 6.421 380 2HD LYS 10 HD1 LYS 10 10.850 5.541 5.541 381 1HE LYS 10 HE2 LYS 10 12.863 4.024 4.024 382 2HE LYS 10 HE1 LYS 10 13.766 5.151 5.151 383 1HZ LYS 10 HZ3 LYS 10 12.194 6.061 6.061 384 2HZ LYS 10 HZ2 LYS 10 13.830 5.620 5.620 385 3HZ LYS 10 HZ1 LYS 10 13.374 6.919 6.919 386 H LYS 11 HN LYS 11 13.167 6.746 6.746 387 HA LYS 11 HA LYS 11 12.391 9.259 9.259 388 1HB LYS 11 HB2 LYS 11 14.173 8.320 8.320 389 2HB LYS 11 HB1 LYS 11 14.063 10.025 10.025 390 1HG LYS 11 HG2 LYS 11 14.884 7.754 7.754 391 2HG LYS 11 HG1 LYS 11 15.938 9.015 9.015 392 1HD LYS 11 HD2 LYS 11 15.452 10.193 10.193 393 2HD LYS 11 HD1 LYS 11 13.846 10.433 10.433 394 1HE LYS 11 HE2 LYS 11 13.159 8.231 8.231 395 2HE LYS 11 HE1 LYS 11 14.710 8.249 8.249 396 1HZ LYS 11 HZ3 LYS 11 14.084 10.626 10.626 397 2HZ LYS 11 HZ2 LYS 11 12.503 10.214 10.214 398 3HZ LYS 11 HZ1 LYS 11 13.263 9.381 9.381 399 H LEU 12 HN LEU 12 11.662 7.728 7.728 400 HA LEU 12 HA LEU 12 10.629 9.985 9.985 401 1HB LEU 12 HB2 LEU 12 10.124 7.009 7.009 402 2HB LEU 12 HB1 LEU 12 9.440 8.138 8.138 403 HG LEU 12 HG LEU 12 12.380 7.673 7.673 404 1HD1 LEU 12 HD13 LEU 12 10.638 6.339 6.339 405 2HD1 LEU 12 HD12 LEU 12 11.363 7.545 7.545 406 3HD1 LEU 12 HD11 LEU 12 12.391 6.406 6.406 407 1HD2 LEU 12 HD21 LEU 12 10.929 9.949 9.949 408 2HD2 LEU 12 HD23 LEU 12 12.578 9.869 9.869 409 3HD2 LEU 12 HD22 LEU 12 12.224 9.315 9.315 410 H ILE 13 HN ILE 13 9.380 8.302 8.302 411 HA ILE 13 HA ILE 13 6.833 9.786 9.786 412 HB ILE 13 HB ILE 13 5.713 7.585 7.585 413 1HG1 ILE 13 HG12 ILE 13 7.265 5.790 5.790 414 2HG1 ILE 13 HG11 ILE 13 8.460 6.719 6.719 415 1HG2 ILE 13 HG21 ILE 13 6.200 8.716 8.716 416 2HG2 ILE 13 HG23 ILE 13 6.449 6.980 6.980 417 3HG2 ILE 13 HG22 ILE 13 4.915 7.588 7.588 418 1HD1 ILE 13 HD12 ILE 13 6.012 5.411 5.411 419 2HD1 ILE 13 HD11 ILE 13 7.655 4.777 4.777 420 3HD1 ILE 13 HD13 ILE 13 7.252 6.304 6.304 421 H GLU 14 HN GLU 14 8.918 10.400 10.400 422 HA GLU 14 HA GLU 14 7.828 9.748 9.748 423 1HB GLU 14 HB2 GLU 14 10.642 9.970 9.970 424 2HB GLU 14 HB1 GLU 14 10.247 9.747 9.747 425 1HG GLU 14 HG2 GLU 14 8.993 7.895 7.895 426 2HG GLU 14 HG1 GLU 14 10.706 7.672 7.672 427 1H CYS 1 HT2 CYS 1 28.751 -2.079 -2.079 428 2H CYS 1 HT1 CYS 1 28.878 -3.444 -3.444 429 3H CYS 1 HT3 CYS 1 29.633 -3.435 -3.435 430 HA CYS 1 HA CYS 1 27.806 -4.378 -4.378 431 1HB CYS 1 HB2 CYS 1 25.921 -4.835 -4.835 432 2HB CYS 1 HB1 CYS 1 27.454 -5.208 -5.208 433 H TYR 2 HN TYR 2 25.892 -3.879 -3.879 434 HA TYR 2 HA TYR 2 24.259 -1.597 -1.597 435 1HB TYR 2 HB2 TYR 2 25.384 0.080 0.080 436 2HB TYR 2 HB1 TYR 2 26.813 -0.886 -0.886 437 HD1 TYR 2 HD1 TYR 2 24.219 -0.242 -0.242 438 HD2 TYR 2 HD2 TYR 2 27.942 -2.171 -2.171 439 HE1 TYR 2 HE1 TYR 2 24.454 -0.827 -0.827 440 HE2 TYR 2 HE2 TYR 2 28.213 -2.739 -2.739 441 HH TYR 2 HH TYR 2 27.367 -1.830 -1.830 442 H LEU 3 HN LEU 3 25.944 -3.680 -3.680 443 HA LEU 3 HA LEU 3 24.204 -3.820 -3.820 444 1HB LEU 3 HB2 LEU 3 26.464 -4.971 -4.971 445 2HB LEU 3 HB1 LEU 3 25.400 -6.237 -6.237 446 HG LEU 3 HG LEU 3 24.469 -5.372 -5.372 447 1HD1 LEU 3 HD13 LEU 3 26.958 -4.746 -4.746 448 2HD1 LEU 3 HD12 LEU 3 27.260 -6.484 -6.484 449 3HD1 LEU 3 HD11 LEU 3 26.292 -5.771 -5.771 450 1HD2 LEU 3 HD21 LEU 3 24.560 -7.649 -7.649 451 2HD2 LEU 3 HD23 LEU 3 24.136 -7.614 -7.614 452 3HD2 LEU 3 HD22 LEU 3 25.787 -7.999 -7.999 453 H ARG 4 HN ARG 4 24.174 -5.761 -5.761 454 HA ARG 4 HA ARG 4 21.839 -7.255 -7.255 455 1HB ARG 4 HB2 ARG 4 22.614 -5.765 -5.765 456 2HB ARG 4 HB1 ARG 4 21.814 -7.332 -7.332 457 1HG ARG 4 HG2 ARG 4 23.890 -8.213 -8.213 458 2HG ARG 4 HG1 ARG 4 24.126 -7.737 -7.737 459 1HD ARG 4 HD2 ARG 4 24.740 -5.381 -5.381 460 2HD ARG 4 HD1 ARG 4 25.140 -6.427 -6.427 461 HE ARG 4 HE ARG 4 26.684 -6.253 -6.253 462 1HH1 ARG 4 HH11 ARG 4 26.582 -7.851 -7.851 463 2HH1 ARG 4 HH12 ARG 4 27.214 -9.358 -9.358 464 1HH2 ARG 4 HH21 ARG 4 26.948 -8.495 -8.495 465 2HH2 ARG 4 HH22 ARG 4 27.420 -9.723 -9.723 466 H ARG 5 HN ARG 5 22.341 -3.871 -3.871 467 HA ARG 5 HA ARG 5 19.457 -3.319 -3.319 468 1HB ARG 5 HB2 ARG 5 20.238 -1.483 -1.483 469 2HB ARG 5 HB1 ARG 5 21.816 -2.248 -2.248 470 1HG ARG 5 HG2 ARG 5 21.778 -1.059 -1.059 471 2HG ARG 5 HG1 ARG 5 20.675 0.025 0.025 472 1HD ARG 5 HD2 ARG 5 22.833 -0.436 -0.436 473 2HD ARG 5 HD1 ARG 5 23.544 -0.095 -0.095 474 HE ARG 5 HE ARG 5 21.317 1.670 1.670 475 1HH1 ARG 5 HH21 ARG 5 24.470 1.219 1.219 476 2HH1 ARG 5 HH22 ARG 5 25.011 2.821 2.821 477 1HH2 ARG 5 HH11 ARG 5 22.108 3.698 3.698 478 2HH2 ARG 5 HH12 ARG 5 23.673 4.227 4.227 479 H PHE 6 HN PHE 6 21.946 -3.053 -3.053 480 HA PHE 6 HA PHE 6 20.307 -1.390 -1.390 481 1HB PHE 6 HB2 PHE 6 22.464 -0.901 -0.901 482 2HB PHE 6 HB1 PHE 6 23.023 -2.418 -2.418 483 HD1 PHE 6 HD1 PHE 6 22.210 -0.613 -0.613 484 HD2 PHE 6 HD2 PHE 6 22.909 -4.506 -4.506 485 HE1 PHE 6 HE1 PHE 6 22.591 -1.492 -1.492 486 HE2 PHE 6 HE2 PHE 6 23.295 -5.396 -5.396 487 HZ PHE 6 HZ PHE 6 23.134 -3.894 -3.894 488 H PHE 7 HN PHE 7 21.405 -4.804 -4.804 489 HA PHE 7 HA PHE 7 20.075 -5.476 -5.476 490 1HB PHE 7 HB2 PHE 7 21.126 -7.476 -7.476 491 2HB PHE 7 HB1 PHE 7 21.975 -6.576 -6.576 492 HD1 PHE 7 HD1 PHE 7 21.932 -7.361 -7.361 493 HD2 PHE 7 HD2 PHE 7 18.862 -8.591 -8.591 494 HE1 PHE 7 HE1 PHE 7 21.020 -8.921 -8.921 495 HE2 PHE 7 HE2 PHE 7 17.952 -10.144 -10.144 496 HZ PHE 7 HZ PHE 7 19.034 -10.310 -10.310 497 H LYS 8 HN LYS 8 19.119 -5.700 -5.700 498 HA LYS 8 HA LYS 8 16.765 -7.193 -7.193 499 1HB LYS 8 HB2 LYS 8 18.053 -5.413 -5.413 500 2HB LYS 8 HB1 LYS 8 16.315 -5.116 -5.116 501 1HG LYS 8 HG2 LYS 8 16.034 -7.650 -7.650 502 2HG LYS 8 HG1 LYS 8 17.761 -7.712 -7.712 503 1HD LYS 8 HD2 LYS 8 16.469 -5.646 -5.646 504 2HD LYS 8 HD1 LYS 8 15.696 -7.210 -7.210 505 1HE LYS 8 HE2 LYS 8 18.316 -7.957 -7.957 506 2HE LYS 8 HE1 LYS 8 18.423 -6.320 -6.320 507 1HZ LYS 8 HZ2 LYS 8 16.334 -7.024 -7.024 508 2HZ LYS 8 HZ1 LYS 8 16.827 -8.612 -8.612 509 3HZ LYS 8 HZ3 LYS 8 17.845 -7.587 -7.587 510 H ALA 9 HN ALA 9 17.029 -3.623 -3.623 511 HA ALA 9 HA ALA 9 14.315 -3.176 -3.176 512 1HB ALA 9 HB1 ALA 9 15.918 -1.536 -1.536 513 2HB ALA 9 HB3 ALA 9 16.789 -1.504 -1.504 514 3HB ALA 9 HB2 ALA 9 15.130 -0.911 -0.911 515 H LYS 10 HN LYS 10 17.092 -4.222 -4.222 516 HA LYS 10 HA LYS 10 16.353 -3.330 -3.330 517 1HB LYS 10 HB2 LYS 10 18.523 -4.353 -4.353 518 2HB LYS 10 HB1 LYS 10 17.921 -5.771 -5.771 519 1HG LYS 10 HG2 LYS 10 19.037 -4.956 -4.956 520 2HG LYS 10 HG1 LYS 10 17.695 -3.816 -3.816 521 1HD LYS 10 HD2 LYS 10 19.359 -2.729 -2.729 522 2HD LYS 10 HD1 LYS 10 20.466 -3.314 -3.314 523 1HE LYS 10 HE2 LYS 10 19.632 -1.865 -1.865 524 2HE LYS 10 HE1 LYS 10 18.033 -1.772 -1.772 525 1HZ LYS 10 HZ3 LYS 10 20.470 -0.790 -0.790 526 2HZ LYS 10 HZ2 LYS 10 19.570 0.212 0.212 527 3HZ LYS 10 HZ1 LYS 10 18.850 -0.437 -0.437 528 H LYS 11 HN LYS 11 16.418 -6.684 -6.684 529 HA LYS 11 HA LYS 11 14.948 -7.960 -7.960 530 1HB LYS 11 HB2 LYS 11 15.248 -8.237 -8.237 531 2HB LYS 11 HB1 LYS 11 14.051 -9.253 -9.253 532 1HG LYS 11 HG2 LYS 11 16.994 -9.064 -9.064 533 2HG LYS 11 HG1 LYS 11 16.202 -10.423 -10.423 534 1HD LYS 11 HD2 LYS 11 14.655 -9.979 -9.979 535 2HD LYS 11 HD1 LYS 11 16.316 -9.764 -9.764 536 1HE LYS 11 HE2 LYS 11 16.431 -12.016 -12.016 537 2HE LYS 11 HE1 LYS 11 14.948 -12.228 -12.228 538 1HZ LYS 11 HZ1 LYS 11 16.440 -11.349 -11.349 539 2HZ LYS 11 HZ3 LYS 11 17.718 -11.883 -11.883 540 3HZ LYS 11 HZ2 LYS 11 16.536 -12.984 -12.984 541 H LEU 12 HN LEU 12 13.757 -5.782 -5.782 542 HA LEU 12 HA LEU 12 10.978 -6.373 -6.373 543 1HB LEU 12 HB2 LEU 12 12.612 -4.005 -4.005 544 2HB LEU 12 HB1 LEU 12 10.852 -4.042 -4.042 545 HG LEU 12 HG LEU 12 12.766 -6.072 -6.072 546 1HD1 LEU 12 HD13 LEU 12 11.456 -3.608 -3.608 547 2HD1 LEU 12 HD12 LEU 12 11.375 -5.006 -5.006 548 3HD1 LEU 12 HD11 LEU 12 12.940 -4.392 -4.392 549 1HD2 LEU 12 HD22 LEU 12 9.774 -5.897 -5.897 550 2HD2 LEU 12 HD21 LEU 12 10.824 -7.301 -7.301 551 3HD2 LEU 12 HD23 LEU 12 10.489 -6.666 -6.666 552 H ILE 13 HN ILE 13 13.125 -4.705 -4.705 553 HA ILE 13 HA ILE 13 10.828 -3.955 -3.955 554 HB ILE 13 HB ILE 13 11.977 -1.642 -1.642 555 1HG1 ILE 13 HG12 ILE 13 12.875 -1.530 -1.530 556 2HG1 ILE 13 HG11 ILE 13 13.670 -2.917 -2.917 557 1HG2 ILE 13 HG22 ILE 13 9.888 -2.547 -2.547 558 2HG2 ILE 13 HG21 ILE 13 10.918 -1.794 -1.794 559 3HG2 ILE 13 HG23 ILE 13 10.344 -0.850 -0.850 560 1HD1 ILE 13 HD11 ILE 13 13.552 -0.206 -0.206 561 2HD1 ILE 13 HD13 ILE 13 14.875 -0.689 -0.689 562 3HD1 ILE 13 HD12 ILE 13 14.572 -1.578 -1.578 563 H GLU 14 HN GLU 14 12.572 -5.949 -5.949 564 HA GLU 14 HA GLU 14 14.167 -4.823 -4.823 565 1HB GLU 14 HB2 GLU 14 14.836 -6.903 -6.903 566 2HB GLU 14 HB1 GLU 14 15.876 -6.532 -6.532 567 1HG GLU 14 HG2 GLU 14 14.931 -4.287 -4.287 568 2HG GLU 14 HG1 GLU 14 16.214 -5.311 -5.311 Start of MODEL 7 1 1H CYS 1 HT1 CYS 1 2.536 6.791 6.791 2 2H CYS 1 HT3 CYS 1 2.961 7.821 7.821 3 3H CYS 1 HT2 CYS 1 3.907 7.785 7.785 4 HA CYS 1 HA CYS 1 5.155 6.506 6.506 5 1HB CYS 1 HB2 CYS 1 3.865 4.798 4.798 6 2HB CYS 1 HB1 CYS 1 3.568 6.499 6.499 7 H TYR 2 HN TYR 2 6.048 5.525 5.525 8 HA TYR 2 HA TYR 2 5.163 2.811 2.811 9 1HB TYR 2 HB2 TYR 2 5.003 3.651 3.651 10 2HB TYR 2 HB1 TYR 2 3.595 3.662 3.662 11 HD1 TYR 2 HD1 TYR 2 2.432 5.498 5.498 12 HD2 TYR 2 HD2 TYR 2 6.451 6.000 6.000 13 HE1 TYR 2 HE1 TYR 2 2.229 7.956 7.956 14 HE2 TYR 2 HE2 TYR 2 6.253 8.440 8.440 15 HH TYR 2 HH TYR 2 3.325 9.907 9.907 16 H LEU 3 HN LEU 3 6.636 4.614 4.614 17 HA LEU 3 HA LEU 3 9.025 3.177 3.177 18 1HB LEU 3 HB2 LEU 3 9.899 5.128 5.128 19 2HB LEU 3 HB1 LEU 3 8.394 4.461 4.461 20 HG LEU 3 HG LEU 3 7.535 6.177 6.177 21 1HD1 LEU 3 HD12 LEU 3 10.085 6.854 6.854 22 2HD1 LEU 3 HD11 LEU 3 9.647 7.798 7.798 23 3HD1 LEU 3 HD13 LEU 3 8.832 8.091 8.091 24 1HD2 LEU 3 HD22 LEU 3 7.567 5.905 5.905 25 2HD2 LEU 3 HD21 LEU 3 6.432 6.860 6.860 26 3HD2 LEU 3 HD23 LEU 3 7.906 7.604 7.604 27 H ARG 4 HN ARG 4 8.346 6.362 6.362 28 HA ARG 4 HA ARG 4 10.884 6.859 6.859 29 1HB ARG 4 HB2 ARG 4 9.718 8.487 8.487 30 2HB ARG 4 HB1 ARG 4 8.618 8.212 8.212 31 1HG ARG 4 HG2 ARG 4 7.190 6.823 6.823 32 2HG ARG 4 HG1 ARG 4 8.381 6.706 6.706 33 1HD ARG 4 HD2 ARG 4 7.273 8.439 8.439 34 2HD ARG 4 HD1 ARG 4 8.006 9.456 9.456 35 HE ARG 4 HE ARG 4 5.721 8.134 8.134 36 1HH1 ARG 4 HH11 ARG 4 5.490 9.518 9.518 37 2HH1 ARG 4 HH12 ARG 4 4.542 10.890 10.890 38 1HH2 ARG 4 HH21 ARG 4 4.968 10.350 10.350 39 2HH2 ARG 4 HH22 ARG 4 4.245 11.358 11.358 40 H ARG 5 HN ARG 5 8.154 4.907 4.907 41 HA ARG 5 HA ARG 5 9.103 4.144 4.144 42 1HB ARG 5 HB2 ARG 5 7.078 3.161 3.161 43 2HB ARG 5 HB1 ARG 5 7.088 3.463 3.463 44 1HG ARG 5 HG2 ARG 5 8.691 1.272 1.272 45 2HG ARG 5 HG1 ARG 5 7.680 0.968 0.968 46 1HD ARG 5 HD2 ARG 5 6.150 0.158 0.158 47 2HD ARG 5 HD1 ARG 5 5.887 1.850 1.850 48 HE ARG 5 HE ARG 5 7.800 1.527 1.527 49 1HH1 ARG 5 HH21 ARG 5 7.737 -1.378 -1.378 50 2HH1 ARG 5 HH22 ARG 5 7.379 -2.335 -2.335 51 1HH2 ARG 5 HH11 ARG 5 6.608 0.392 0.392 52 2HH2 ARG 5 HH12 ARG 5 6.740 -1.334 -1.334 53 H PHE 6 HN PHE 6 10.036 3.277 3.277 54 HA PHE 6 HA PHE 6 11.828 1.095 1.095 55 1HB PHE 6 HB2 PHE 6 11.144 0.294 0.294 56 2HB PHE 6 HB1 PHE 6 10.268 1.788 1.788 57 HD1 PHE 6 HD1 PHE 6 13.664 0.282 0.282 58 HD2 PHE 6 HD2 PHE 6 10.928 3.220 3.220 59 HE1 PHE 6 HE1 PHE 6 15.253 0.841 0.841 60 HE2 PHE 6 HE2 PHE 6 12.517 3.784 3.784 61 HZ PHE 6 HZ PHE 6 14.696 2.599 2.599 62 H PHE 7 HN PHE 7 11.919 4.213 4.213 63 HA PHE 7 HA PHE 7 14.710 4.389 4.389 64 1HB PHE 7 HB2 PHE 7 12.332 5.987 5.987 65 2HB PHE 7 HB1 PHE 7 13.699 6.963 6.963 66 HD1 PHE 7 HD1 PHE 7 12.042 5.761 5.761 67 HD2 PHE 7 HD2 PHE 7 15.999 6.312 6.312 68 HE1 PHE 7 HE1 PHE 7 12.968 5.716 5.716 69 HE2 PHE 7 HE2 PHE 7 16.924 6.268 6.268 70 HZ PHE 7 HZ PHE 7 15.409 5.971 5.971 71 H LYS 8 HN LYS 8 12.720 5.017 5.017 72 HA LYS 8 HA LYS 8 14.469 6.640 6.640 73 1HB LYS 8 HB2 LYS 8 12.456 6.514 6.514 74 2HB LYS 8 HB1 LYS 8 12.119 4.964 4.964 75 1HG LYS 8 HG2 LYS 8 12.979 3.765 3.765 76 2HG LYS 8 HG1 LYS 8 14.110 5.037 5.037 77 1HD LYS 8 HD2 LYS 8 12.446 5.060 5.060 78 2HD LYS 8 HD1 LYS 8 12.039 6.411 6.411 79 1HE LYS 8 HE2 LYS 8 10.342 5.090 5.090 80 2HE LYS 8 HE1 LYS 8 10.810 3.643 3.643 81 1HZ LYS 8 HZ3 LYS 8 10.486 5.386 5.386 82 2HZ LYS 8 HZ2 LYS 8 9.335 5.991 5.991 83 3HZ LYS 8 HZ1 LYS 8 9.236 4.383 4.383 84 H ALA 9 HN ALA 9 14.751 3.382 3.382 85 HA ALA 9 HA ALA 9 16.609 2.619 2.619 86 1HB ALA 9 HB1 ALA 9 14.683 1.300 1.300 87 2HB ALA 9 HB3 ALA 9 16.142 0.850 0.850 88 3HB ALA 9 HB2 ALA 9 16.005 0.490 0.490 89 H LYS 10 HN LYS 10 16.525 3.477 3.477 90 HA LYS 10 HA LYS 10 19.163 2.689 2.689 91 1HB LYS 10 HB2 LYS 10 16.819 3.706 3.706 92 2HB LYS 10 HB1 LYS 10 18.045 4.920 4.920 93 1HG LYS 10 HG2 LYS 10 19.119 2.285 2.285 94 2HG LYS 10 HG1 LYS 10 17.642 2.512 2.512 95 1HD LYS 10 HD2 LYS 10 18.536 4.588 4.588 96 2HD LYS 10 HD1 LYS 10 19.998 4.412 4.412 97 1HE LYS 10 HE2 LYS 10 20.836 2.710 2.710 98 2HE LYS 10 HE1 LYS 10 19.221 2.094 2.094 99 1HZ LYS 10 HZ2 LYS 10 18.917 4.319 4.319 100 2HZ LYS 10 HZ1 LYS 10 20.609 4.465 4.465 101 3HZ LYS 10 HZ3 LYS 10 19.910 3.169 3.169 102 H LYS 11 HN LYS 11 17.771 5.889 5.889 103 HA LYS 11 HA LYS 11 20.061 7.466 7.466 104 1HB LYS 11 HB2 LYS 11 17.431 7.499 7.499 105 2HB LYS 11 HB1 LYS 11 18.578 8.185 8.185 106 1HG LYS 11 HG2 LYS 11 18.154 9.051 9.051 107 2HG LYS 11 HG1 LYS 11 17.763 9.974 9.974 108 1HD LYS 11 HD2 LYS 11 19.872 10.745 10.745 109 2HD LYS 11 HD1 LYS 11 20.531 9.113 9.113 110 1HE LYS 11 HE2 LYS 11 20.726 9.213 9.213 111 2HE LYS 11 HE1 LYS 11 19.504 10.492 10.492 112 1HZ LYS 11 HZ1 LYS 11 21.028 11.927 11.927 113 2HZ LYS 11 HZ3 LYS 11 22.222 10.730 10.730 114 3HZ LYS 11 HZ2 LYS 11 21.629 11.515 11.515 115 H LEU 12 HN LEU 12 19.083 5.159 5.159 116 HA LEU 12 HA LEU 12 20.914 5.881 5.881 117 1HB LEU 12 HB2 LEU 12 19.710 3.209 3.209 118 2HB LEU 12 HB1 LEU 12 20.419 3.594 3.594 119 HG LEU 12 HG LEU 12 17.982 4.866 4.866 120 1HD1 LEU 12 HD13 LEU 12 18.411 2.696 2.696 121 2HD1 LEU 12 HD12 LEU 12 17.582 4.007 4.007 122 3HD1 LEU 12 HD11 LEU 12 16.886 3.319 3.319 123 1HD2 LEU 12 HD21 LEU 12 19.509 5.607 5.607 124 2HD2 LEU 12 HD23 LEU 12 19.289 6.614 6.614 125 3HD2 LEU 12 HD22 LEU 12 17.908 6.224 6.224 126 H ILE 13 HN ILE 13 21.474 4.413 4.413 127 HA ILE 13 HA ILE 13 24.283 3.909 3.909 128 HB ILE 13 HB ILE 13 24.059 1.737 1.737 129 1HG1 ILE 13 HG12 ILE 13 21.468 1.078 1.078 130 2HG1 ILE 13 HG11 ILE 13 21.307 2.688 2.688 131 1HG2 ILE 13 HG22 ILE 13 22.757 1.993 1.993 132 2HG2 ILE 13 HG21 ILE 13 23.305 0.481 0.481 133 3HG2 ILE 13 HG23 ILE 13 24.474 1.737 1.737 134 1HD1 ILE 13 HD13 ILE 13 23.049 0.830 0.830 135 2HD1 ILE 13 HD12 ILE 13 21.332 0.430 0.430 136 3HD1 ILE 13 HD11 ILE 13 21.870 1.999 1.999 137 H GLU 14 HN GLU 14 23.351 6.034 6.034 138 HA GLU 14 HA GLU 14 24.490 5.501 5.501 139 1HB GLU 14 HB2 GLU 14 22.032 7.006 7.006 140 2HB GLU 14 HB1 GLU 14 22.650 7.022 7.022 141 1HG GLU 14 HG2 GLU 14 22.164 4.424 4.424 142 2HG GLU 14 HG1 GLU 14 20.823 5.264 5.264 143 1H CYS 1 HT1 CYS 1 0.796 5.554 5.554 144 2H CYS 1 HT3 CYS 1 -0.062 4.514 4.514 145 3H CYS 1 HT2 CYS 1 0.757 3.887 3.887 146 HA CYS 1 HA CYS 1 2.060 3.411 3.411 147 1HB CYS 1 HB2 CYS 1 1.302 6.268 6.268 148 2HB CYS 1 HB1 CYS 1 2.837 5.707 5.707 149 H TYR 2 HN TYR 2 2.211 4.781 4.781 150 HA TYR 2 HA TYR 2 5.157 5.278 5.278 151 1HB TYR 2 HB2 TYR 2 4.850 6.977 6.977 152 2HB TYR 2 HB1 TYR 2 3.301 7.056 7.056 153 HD1 TYR 2 HD1 TYR 2 5.009 5.451 5.451 154 HD2 TYR 2 HD2 TYR 2 1.291 6.685 6.685 155 HE1 TYR 2 HE1 TYR 2 3.871 4.845 4.845 156 HE2 TYR 2 HE2 TYR 2 0.122 6.092 6.092 157 HH TYR 2 HH TYR 2 0.544 5.719 5.719 158 H LEU 3 HN LEU 3 2.519 3.524 3.524 159 HA LEU 3 HA LEU 3 3.579 2.432 2.432 160 1HB LEU 3 HB2 LEU 3 1.859 1.513 1.513 161 2HB LEU 3 HB1 LEU 3 2.442 0.254 0.254 162 HG LEU 3 HG LEU 3 1.555 1.483 1.483 163 1HD1 LEU 3 HD11 LEU 3 1.884 3.735 3.735 164 2HD1 LEU 3 HD13 LEU 3 0.317 3.426 3.426 165 3HD1 LEU 3 HD12 LEU 3 0.448 3.564 3.564 166 1HD2 LEU 3 HD21 LEU 3 -0.208 0.775 0.775 167 2HD2 LEU 3 HD23 LEU 3 -0.106 0.033 0.033 168 3HD2 LEU 3 HD22 LEU 3 -0.946 1.570 1.570 169 H ARG 4 HN ARG 4 4.026 1.162 1.162 170 HA ARG 4 HA ARG 4 5.882 -0.865 -0.865 171 1HB ARG 4 HB2 ARG 4 6.313 1.284 1.284 172 2HB ARG 4 HB1 ARG 4 6.493 -0.460 -0.460 173 1HG ARG 4 HG2 ARG 4 4.446 -0.357 -0.357 174 2HG ARG 4 HG1 ARG 4 3.846 -0.256 -0.256 175 1HD ARG 4 HD2 ARG 4 4.025 2.278 2.278 176 2HD ARG 4 HD1 ARG 4 4.396 2.064 2.064 177 HE ARG 4 HE ARG 4 1.781 1.860 1.860 178 1HH1 ARG 4 HH11 ARG 4 2.402 1.982 1.982 179 2HH1 ARG 4 HH12 ARG 4 1.848 0.435 0.435 180 1HH2 ARG 4 HH21 ARG 4 1.732 -0.940 -0.940 181 2HH2 ARG 4 HH22 ARG 4 1.467 -1.219 -1.219 182 H ARG 5 HN ARG 5 6.427 2.642 2.642 183 HA ARG 5 HA ARG 5 9.292 2.431 2.431 184 1HB ARG 5 HB2 ARG 5 8.837 4.453 4.453 185 2HB ARG 5 HB1 ARG 5 7.216 4.480 4.480 186 1HG ARG 5 HG2 ARG 5 9.457 4.787 4.787 187 2HG ARG 5 HG1 ARG 5 9.142 6.145 6.145 188 1HD ARG 5 HD2 ARG 5 6.600 5.417 5.417 189 2HD ARG 5 HD1 ARG 5 7.565 5.200 5.200 190 HE ARG 5 HE ARG 5 7.981 7.688 7.688 191 1HH1 ARG 5 HH11 ARG 5 8.883 7.051 7.051 192 2HH1 ARG 5 HH12 ARG 5 7.783 8.038 8.038 193 1HH2 ARG 5 HH21 ARG 5 5.629 8.542 8.542 194 2HH2 ARG 5 HH22 ARG 5 5.938 8.877 8.877 195 H PHE 6 HN PHE 6 6.489 3.099 3.099 196 HA PHE 6 HA PHE 6 8.093 3.332 3.332 197 1HB PHE 6 HB2 PHE 6 6.136 4.405 4.405 198 2HB PHE 6 HB1 PHE 6 5.325 3.502 3.502 199 HD1 PHE 6 HD1 PHE 6 6.300 3.512 3.512 200 HD2 PHE 6 HD2 PHE 6 4.056 1.551 1.551 201 HE1 PHE 6 HE1 PHE 6 5.120 2.188 2.188 202 HE2 PHE 6 HE2 PHE 6 2.873 0.221 0.221 203 HZ PHE 6 HZ PHE 6 3.399 0.526 0.526 204 H PHE 7 HN PHE 7 5.894 0.800 0.800 205 HA PHE 7 HA PHE 7 6.274 -1.106 -1.106 206 1HB PHE 7 HB2 PHE 7 5.076 -0.841 -0.841 207 2HB PHE 7 HB1 PHE 7 5.955 -2.368 -2.368 208 HD1 PHE 7 HD1 PHE 7 5.757 -3.540 -3.540 209 HD2 PHE 7 HD2 PHE 7 2.847 -0.985 -0.985 210 HE1 PHE 7 HE1 PHE 7 3.988 -4.525 -4.525 211 HE2 PHE 7 HE2 PHE 7 1.072 -1.975 -1.975 212 HZ PHE 7 HZ PHE 7 1.642 -3.746 -3.746 213 H LYS 8 HN LYS 8 8.110 -0.552 -0.552 214 HA LYS 8 HA LYS 8 9.793 -2.707 -2.707 215 1HB LYS 8 HB2 LYS 8 9.795 0.070 0.070 216 2HB LYS 8 HB1 LYS 8 11.423 -0.427 -0.427 217 1HG LYS 8 HG2 LYS 8 11.456 -2.148 -2.148 218 2HG LYS 8 HG1 LYS 8 9.718 -2.023 -2.023 219 1HD LYS 8 HD2 LYS 8 10.745 0.563 0.563 220 2HD LYS 8 HD1 LYS 8 11.862 -0.541 -0.541 221 1HE LYS 8 HE2 LYS 8 8.929 -1.042 -1.042 222 2HE LYS 8 HE1 LYS 8 9.665 0.299 0.299 223 1HZ LYS 8 HZ1 LYS 8 11.512 -1.374 -1.374 224 2HZ LYS 8 HZ3 LYS 8 10.397 -2.565 -2.565 225 3HZ LYS 8 HZ2 LYS 8 10.051 -1.542 -1.542 226 H ALA 9 HN ALA 9 9.766 -0.294 -0.294 227 HA ALA 9 HA ALA 9 12.305 -1.187 -1.187 228 1HB ALA 9 HB3 ALA 9 11.432 1.196 1.196 229 2HB ALA 9 HB2 ALA 9 10.212 0.699 0.699 230 3HB ALA 9 HB1 ALA 9 11.923 0.640 0.640 231 H LYS 10 HN LYS 10 8.850 -1.540 -1.540 232 HA LYS 10 HA LYS 10 9.005 -2.812 -2.812 233 1HB LYS 10 HB2 LYS 10 7.169 -1.664 -1.664 234 2HB LYS 10 HB1 LYS 10 6.748 -3.368 -3.368 235 1HG LYS 10 HG2 LYS 10 7.361 -2.487 -2.487 236 2HG LYS 10 HG1 LYS 10 6.077 -1.507 -1.507 237 1HD LYS 10 HD2 LYS 10 5.791 -4.370 -4.370 238 2HD LYS 10 HD1 LYS 10 5.721 -3.982 -3.982 239 1HE LYS 10 HE2 LYS 10 4.190 -1.975 -1.975 240 2HE LYS 10 HE1 LYS 10 3.726 -3.478 -3.478 241 1HZ LYS 10 HZ2 LYS 10 4.108 -3.547 -3.547 242 2HZ LYS 10 HZ1 LYS 10 2.684 -2.834 -2.834 243 3HZ LYS 10 HZ3 LYS 10 3.045 -4.448 -4.448 244 H LYS 11 HN LYS 11 8.291 -4.072 -4.072 245 HA LYS 11 HA LYS 11 8.218 -6.805 -6.805 246 1HB LYS 11 HB2 LYS 11 8.565 -5.044 -5.044 247 2HB LYS 11 HB1 LYS 11 9.536 -6.502 -6.502 248 1HG LYS 11 HG2 LYS 11 6.626 -6.592 -6.592 249 2HG LYS 11 HG1 LYS 11 7.138 -6.637 -6.637 250 1HD LYS 11 HD2 LYS 11 8.746 -8.511 -8.511 251 2HD LYS 11 HD1 LYS 11 7.074 -8.787 -8.787 252 1HE LYS 11 HE2 LYS 11 6.652 -8.516 -8.516 253 2HE LYS 11 HE1 LYS 11 8.326 -9.102 -9.102 254 1HZ LYS 11 HZ1 LYS 11 7.432 -10.718 -10.718 255 2HZ LYS 11 HZ3 LYS 11 5.939 -10.413 -10.413 256 3HZ LYS 11 HZ2 LYS 11 7.216 -11.078 -11.078 257 H LEU 12 HN LEU 12 10.965 -4.639 -4.639 258 HA LEU 12 HA LEU 12 12.996 -6.666 -6.666 259 1HB LEU 12 HB2 LEU 12 12.842 -3.728 -3.728 260 2HB LEU 12 HB1 LEU 12 14.375 -4.583 -4.583 261 HG LEU 12 HG LEU 12 12.663 -4.518 -4.518 262 1HD1 LEU 12 HD13 LEU 12 14.614 -2.697 -2.697 263 2HD1 LEU 12 HD12 LEU 12 15.306 -3.506 -3.506 264 3HD1 LEU 12 HD11 LEU 12 13.780 -2.636 -2.636 265 1HD2 LEU 12 HD21 LEU 12 15.004 -6.123 -6.123 266 2HD2 LEU 12 HD23 LEU 12 13.755 -6.507 -6.507 267 3HD2 LEU 12 HD22 LEU 12 15.099 -5.455 -5.455 268 H ILE 13 HN ILE 13 10.947 -5.869 -5.869 269 HA ILE 13 HA ILE 13 12.751 -7.174 -7.174 270 HB ILE 13 HB ILE 13 12.183 -5.225 -5.225 271 1HG1 ILE 13 HG12 ILE 13 12.167 -3.154 -3.154 272 2HG1 ILE 13 HG11 ILE 13 11.035 -4.296 -4.296 273 1HG2 ILE 13 HG21 ILE 13 14.412 -5.759 -5.759 274 2HG2 ILE 13 HG23 ILE 13 13.973 -4.486 -4.486 275 3HG2 ILE 13 HG22 ILE 13 14.183 -4.105 -4.105 276 1HD1 ILE 13 HD11 ILE 13 10.645 -4.098 -4.098 277 2HD1 ILE 13 HD13 ILE 13 10.512 -2.516 -2.516 278 3HD1 ILE 13 HD12 ILE 13 9.484 -3.845 -3.845 279 H GLU 14 HN GLU 14 10.435 -8.174 -8.174 280 HA GLU 14 HA GLU 14 8.623 -8.179 -8.179 281 1HB GLU 14 HB2 GLU 14 8.096 -8.063 -8.063 282 2HB GLU 14 HB1 GLU 14 6.819 -8.284 -8.284 283 1HG GLU 14 HG2 GLU 14 8.737 -6.040 -6.040 284 2HG GLU 14 HG1 GLU 14 7.529 -5.854 -5.854 285 1H CYS 1 HT3 CYS 1 23.193 -4.497 -4.497 286 2H CYS 1 HT2 CYS 1 24.820 -4.004 -4.004 287 3H CYS 1 HT1 CYS 1 23.621 -2.978 -2.978 288 HA CYS 1 HA CYS 1 24.010 -2.069 -2.069 289 1HB CYS 1 HB2 CYS 1 24.329 -4.997 -4.997 290 2HB CYS 1 HB1 CYS 1 24.058 -3.843 -3.843 291 H TYR 2 HN TYR 2 21.800 -1.776 -1.776 292 HA TYR 2 HA TYR 2 19.813 -1.833 -1.833 293 1HB TYR 2 HB2 TYR 2 18.797 -3.878 -3.878 294 2HB TYR 2 HB1 TYR 2 20.289 -4.370 -4.370 295 HD1 TYR 2 HD1 TYR 2 17.045 -2.684 -2.684 296 HD2 TYR 2 HD2 TYR 2 20.217 -5.189 -5.189 297 HE1 TYR 2 HE1 TYR 2 15.832 -2.996 -2.996 298 HE2 TYR 2 HE2 TYR 2 19.008 -5.517 -5.517 299 HH TYR 2 HH TYR 2 17.290 -4.436 -4.436 300 H LEU 3 HN LEU 3 20.661 -1.853 -1.853 301 HA LEU 3 HA LEU 3 18.423 -0.809 -0.809 302 1HB LEU 3 HB2 LEU 3 21.349 -0.526 -0.526 303 2HB LEU 3 HB1 LEU 3 20.382 0.589 0.589 304 HG LEU 3 HG LEU 3 19.233 -1.276 -1.276 305 1HD1 LEU 3 HD13 LEU 3 19.401 -2.743 -2.743 306 2HD1 LEU 3 HD12 LEU 3 21.063 -3.092 -3.092 307 3HD1 LEU 3 HD11 LEU 3 19.723 -3.571 -3.571 308 1HD2 LEU 3 HD23 LEU 3 21.358 -0.537 -0.537 309 2HD2 LEU 3 HD22 LEU 3 21.119 -2.269 -2.269 310 3HD2 LEU 3 HD21 LEU 3 22.228 -1.691 -1.691 311 H ARG 4 HN ARG 4 20.942 0.927 0.927 312 HA ARG 4 HA ARG 4 19.752 3.513 3.513 313 1HB ARG 4 HB2 ARG 4 21.114 3.734 3.734 314 2HB ARG 4 HB1 ARG 4 21.914 3.705 3.705 315 1HG ARG 4 HG2 ARG 4 22.914 2.191 2.191 316 2HG ARG 4 HG1 ARG 4 22.512 1.401 1.401 317 1HD ARG 4 HD2 ARG 4 20.691 0.280 0.280 318 2HD ARG 4 HD1 ARG 4 20.479 1.463 1.463 319 HE ARG 4 HE ARG 4 22.200 -0.838 -0.838 320 1HH1 ARG 4 HH11 ARG 4 21.600 2.344 2.344 321 2HH1 ARG 4 HH12 ARG 4 22.890 2.337 2.337 322 1HH2 ARG 4 HH21 ARG 4 24.069 -0.785 -0.785 323 2HH2 ARG 4 HH22 ARG 4 24.285 0.564 0.564 324 H ARG 5 HN ARG 5 18.964 0.749 0.749 325 HA ARG 5 HA ARG 5 17.208 2.476 2.476 326 1HB ARG 5 HB2 ARG 5 17.350 0.814 0.814 327 2HB ARG 5 HB1 ARG 5 18.861 0.504 0.504 328 1HG ARG 5 HG2 ARG 5 17.326 -1.070 -1.070 329 2HG ARG 5 HG1 ARG 5 16.296 -1.034 -1.034 330 1HD ARG 5 HD2 ARG 5 19.242 -1.541 -1.541 331 2HD ARG 5 HD1 ARG 5 18.156 -2.869 -2.869 332 HE ARG 5 HE ARG 5 17.050 -2.643 -2.643 333 1HH1 ARG 5 HH21 ARG 5 20.064 -1.574 -1.574 334 2HH1 ARG 5 HH22 ARG 5 19.733 -0.350 -0.350 335 1HH2 ARG 5 HH11 ARG 5 16.298 -0.453 -0.453 336 2HH2 ARG 5 HH12 ARG 5 17.601 0.284 0.284 337 H PHE 6 HN PHE 6 16.966 1.036 1.036 338 HA PHE 6 HA PHE 6 14.149 0.160 0.160 339 1HB PHE 6 HB2 PHE 6 14.941 -1.668 -1.668 340 2HB PHE 6 HB1 PHE 6 16.423 -0.831 -0.831 341 HD1 PHE 6 HD1 PHE 6 13.161 -1.932 -1.932 342 HD2 PHE 6 HD2 PHE 6 16.515 0.550 0.550 343 HE1 PHE 6 HE1 PHE 6 12.396 -1.819 -1.819 344 HE2 PHE 6 HE2 PHE 6 15.755 0.669 0.669 345 HZ PHE 6 HZ PHE 6 13.685 -0.513 -0.513 346 H PHE 7 HN PHE 7 16.222 1.931 1.931 347 HA PHE 7 HA PHE 7 13.966 3.056 3.056 348 1HB PHE 7 HB2 PHE 7 15.603 3.859 3.859 349 2HB PHE 7 HB1 PHE 7 16.507 2.574 2.574 350 HD1 PHE 7 HD1 PHE 7 18.550 3.070 3.070 351 HD2 PHE 7 HD2 PHE 7 15.701 6.216 6.216 352 HE1 PHE 7 HE1 PHE 7 20.197 4.752 4.752 353 HE2 PHE 7 HE2 PHE 7 17.349 7.887 7.887 354 HZ PHE 7 HZ PHE 7 19.597 7.156 7.156 355 H LYS 8 HN LYS 8 16.041 4.063 4.063 356 HA LYS 8 HA LYS 8 15.358 6.801 6.801 357 1HB LYS 8 HB2 LYS 8 16.457 4.711 4.711 358 2HB LYS 8 HB1 LYS 8 15.785 6.094 6.094 359 1HG LYS 8 HG2 LYS 8 17.274 7.121 7.121 360 2HG LYS 8 HG1 LYS 8 18.285 5.899 5.899 361 1HD LYS 8 HD2 LYS 8 16.813 7.834 7.834 362 2HD LYS 8 HD1 LYS 8 18.260 8.393 8.393 363 1HE LYS 8 HE2 LYS 8 18.901 5.845 5.845 364 2HE LYS 8 HE1 LYS 8 18.100 6.762 6.762 365 1HZ LYS 8 HZ3 LYS 8 20.014 8.165 8.165 366 2HZ LYS 8 HZ2 LYS 8 20.636 7.119 7.119 367 3HZ LYS 8 HZ1 LYS 8 19.642 8.422 8.422 368 H ALA 9 HN ALA 9 13.907 3.973 3.973 369 HA ALA 9 HA ALA 9 11.843 5.375 5.375 370 1HB ALA 9 HB2 ALA 9 12.828 2.913 2.913 371 2HB ALA 9 HB1 ALA 9 11.530 2.577 2.577 372 3HB ALA 9 HB3 ALA 9 11.150 3.212 3.212 373 H LYS 10 HN LYS 10 12.214 4.187 4.187 374 HA LYS 10 HA LYS 10 9.498 4.276 4.276 375 1HB LYS 10 HB2 LYS 10 11.839 3.382 3.382 376 2HB LYS 10 HB1 LYS 10 11.707 4.897 4.897 377 1HG LYS 10 HG2 LYS 10 10.680 2.999 2.999 378 2HG LYS 10 HG1 LYS 10 9.516 4.269 4.269 379 1HD LYS 10 HD2 LYS 10 8.312 2.904 2.904 380 2HD LYS 10 HD1 LYS 10 9.758 2.302 2.302 381 1HE LYS 10 HE2 LYS 10 10.027 0.536 0.536 382 2HE LYS 10 HE1 LYS 10 9.198 1.391 1.391 383 1HZ LYS 10 HZ1 LYS 10 7.133 1.250 1.250 384 2HZ LYS 10 HZ3 LYS 10 7.925 0.391 0.391 385 3HZ LYS 10 HZ2 LYS 10 7.755 -0.300 -0.300 386 H LYS 11 HN LYS 11 12.130 6.547 6.547 387 HA LYS 11 HA LYS 11 10.684 8.631 8.631 388 1HB LYS 11 HB2 LYS 11 13.111 8.426 8.426 389 2HB LYS 11 HB1 LYS 11 12.510 10.029 10.029 390 1HG LYS 11 HG2 LYS 11 13.284 7.829 7.829 391 2HG LYS 11 HG1 LYS 11 14.172 9.325 9.325 392 1HD LYS 11 HD2 LYS 11 11.973 10.525 10.525 393 2HD LYS 11 HD1 LYS 11 11.484 8.969 8.969 394 1HE LYS 11 HE2 LYS 11 13.660 8.968 8.968 395 2HE LYS 11 HE1 LYS 11 13.873 10.654 10.654 396 1HZ LYS 11 HZ3 LYS 11 11.364 10.771 10.771 397 2HZ LYS 11 HZ2 LYS 11 11.835 9.490 9.490 398 3HZ LYS 11 HZ1 LYS 11 12.619 10.992 10.992 399 H LEU 12 HN LEU 12 11.058 7.871 7.871 400 HA LEU 12 HA LEU 12 9.805 10.171 10.171 401 1HB LEU 12 HB2 LEU 12 10.272 7.330 7.330 402 2HB LEU 12 HB1 LEU 12 9.411 8.458 8.458 403 HG LEU 12 HG LEU 12 12.094 9.119 9.119 404 1HD1 LEU 12 HD12 LEU 12 12.310 7.086 7.086 405 2HD1 LEU 12 HD11 LEU 12 11.509 7.915 7.915 406 3HD1 LEU 12 HD13 LEU 12 13.086 8.468 8.468 407 1HD2 LEU 12 HD23 LEU 12 10.240 10.313 10.313 408 2HD2 LEU 12 HD22 LEU 12 11.198 11.110 11.110 409 3HD2 LEU 12 HD21 LEU 12 11.975 10.533 10.533 410 H ILE 13 HN ILE 13 8.468 7.654 7.654 411 HA ILE 13 HA ILE 13 5.742 8.573 8.573 412 HB ILE 13 HB ILE 13 5.118 6.052 6.052 413 1HG1 ILE 13 HG12 ILE 13 7.353 5.045 5.045 414 2HG1 ILE 13 HG11 ILE 13 8.052 5.968 5.968 415 1HG2 ILE 13 HG23 ILE 13 5.074 7.615 7.615 416 2HG2 ILE 13 HG22 ILE 13 6.740 7.151 7.151 417 3HG2 ILE 13 HG21 ILE 13 5.453 5.949 5.949 418 1HD1 ILE 13 HD13 ILE 13 5.700 4.203 4.203 419 2HD1 ILE 13 HD12 ILE 13 7.296 3.471 3.471 420 3HD1 ILE 13 HD11 ILE 13 7.015 4.688 4.688 421 H GLU 14 HN GLU 14 7.090 9.171 9.171 422 HA GLU 14 HA GLU 14 5.649 7.580 7.580 423 1HB GLU 14 HB2 GLU 14 8.466 8.631 8.631 424 2HB GLU 14 HB1 GLU 14 7.755 7.868 7.868 425 1HG GLU 14 HG2 GLU 14 7.581 6.442 6.442 426 2HG GLU 14 HG1 GLU 14 9.132 6.448 6.448 427 1H CYS 1 HT3 CYS 1 26.665 -3.546 -3.546 428 2H CYS 1 HT2 CYS 1 27.595 -3.108 -3.108 429 3H CYS 1 HT1 CYS 1 27.022 -4.699 -4.699 430 HA CYS 1 HA CYS 1 24.969 -4.196 -4.196 431 1HB CYS 1 HB2 CYS 1 26.747 -1.881 -1.881 432 2HB CYS 1 HB1 CYS 1 25.198 -2.246 -2.246 433 H TYR 2 HN TYR 2 24.325 -3.759 -3.759 434 HA TYR 2 HA TYR 2 22.490 -1.624 -1.624 435 1HB TYR 2 HB2 TYR 2 23.698 0.159 0.159 436 2HB TYR 2 HB1 TYR 2 25.101 -0.717 -0.717 437 HD1 TYR 2 HD1 TYR 2 26.813 -1.218 -1.218 438 HD2 TYR 2 HD2 TYR 2 22.861 -0.548 -0.548 439 HE1 TYR 2 HE1 TYR 2 27.668 -1.438 -1.438 440 HE2 TYR 2 HE2 TYR 2 23.708 -0.766 -0.766 441 HH TYR 2 HH TYR 2 26.955 -1.858 -1.858 442 H LEU 3 HN LEU 3 24.656 -3.810 -3.810 443 HA LEU 3 HA LEU 3 23.537 -4.012 -4.012 444 1HB LEU 3 HB2 LEU 3 24.821 -5.806 -5.806 445 2HB LEU 3 HB1 LEU 3 24.045 -6.589 -6.589 446 HG LEU 3 HG LEU 3 25.345 -5.170 -5.170 447 1HD1 LEU 3 HD11 LEU 3 25.527 -3.283 -3.283 448 2HD1 LEU 3 HD13 LEU 3 26.816 -4.212 -4.212 449 3HD1 LEU 3 HD12 LEU 3 27.007 -3.638 -3.638 450 1HD2 LEU 3 HD22 LEU 3 26.542 -7.030 -7.030 451 2HD2 LEU 3 HD21 LEU 3 26.614 -7.054 -7.054 452 3HD2 LEU 3 HD23 LEU 3 27.702 -6.009 -6.009 453 H ARG 4 HN ARG 4 22.629 -5.957 -5.957 454 HA ARG 4 HA ARG 4 20.322 -7.184 -7.184 455 1HB ARG 4 HB2 ARG 4 19.688 -7.264 -7.264 456 2HB ARG 4 HB1 ARG 4 21.438 -7.432 -7.432 457 1HG ARG 4 HG2 ARG 4 20.301 -4.679 -4.679 458 2HG ARG 4 HG1 ARG 4 20.352 -5.721 -5.721 459 1HD ARG 4 HD2 ARG 4 22.829 -6.134 -6.134 460 2HD ARG 4 HD1 ARG 4 22.661 -4.719 -4.719 461 HE ARG 4 HE ARG 4 22.743 -3.425 -3.425 462 1HH1 ARG 4 HH11 ARG 4 23.546 -5.614 -5.614 463 2HH1 ARG 4 HH12 ARG 4 22.237 -5.680 -5.680 464 1HH2 ARG 4 HH21 ARG 4 20.056 -3.885 -3.885 465 2HH2 ARG 4 HH22 ARG 4 20.261 -4.703 -4.703 466 H ARG 5 HN ARG 5 20.879 -3.819 -3.819 467 HA ARG 5 HA ARG 5 17.995 -3.172 -3.172 468 1HB ARG 5 HB2 ARG 5 18.610 -1.404 -1.404 469 2HB ARG 5 HB1 ARG 5 20.184 -2.183 -2.183 470 1HG ARG 5 HG2 ARG 5 20.663 -0.966 -0.966 471 2HG ARG 5 HG1 ARG 5 19.317 0.068 0.068 472 1HD ARG 5 HD2 ARG 5 21.148 -0.347 -0.347 473 2HD ARG 5 HD1 ARG 5 21.972 0.354 0.354 474 HE ARG 5 HE ARG 5 19.426 1.502 1.502 475 1HH1 ARG 5 HH21 ARG 5 22.548 2.212 2.212 476 2HH1 ARG 5 HH22 ARG 5 22.570 3.726 3.726 477 1HH2 ARG 5 HH11 ARG 5 19.460 3.267 3.267 478 2HH2 ARG 5 HH12 ARG 5 20.825 4.322 4.322 479 H PHE 6 HN PHE 6 20.854 -3.152 -3.152 480 HA PHE 6 HA PHE 6 19.650 -1.337 -1.337 481 1HB PHE 6 HB2 PHE 6 21.838 -0.875 -0.875 482 2HB PHE 6 HB1 PHE 6 22.243 -2.211 -2.211 483 HD1 PHE 6 HD1 PHE 6 22.609 -4.481 -4.481 484 HD2 PHE 6 HD2 PHE 6 22.071 -1.030 -1.030 485 HE1 PHE 6 HE1 PHE 6 23.567 -5.707 -5.707 486 HE2 PHE 6 HE2 PHE 6 23.026 -2.255 -2.255 487 HZ PHE 6 HZ PHE 6 23.781 -4.605 -4.605 488 H PHE 7 HN PHE 7 20.747 -4.760 -4.760 489 HA PHE 7 HA PHE 7 19.769 -5.313 -5.313 490 1HB PHE 7 HB2 PHE 7 20.853 -7.303 -7.303 491 2HB PHE 7 HB1 PHE 7 21.557 -6.433 -6.433 492 HD1 PHE 7 HD1 PHE 7 18.546 -8.515 -8.515 493 HD2 PHE 7 HD2 PHE 7 21.423 -7.370 -7.370 494 HE1 PHE 7 HE1 PHE 7 17.600 -10.194 -10.194 495 HE2 PHE 7 HE2 PHE 7 20.476 -9.044 -9.044 496 HZ PHE 7 HZ PHE 7 18.563 -10.460 -10.460 497 H LYS 8 HN LYS 8 18.329 -5.273 -5.273 498 HA LYS 8 HA LYS 8 16.178 -7.062 -7.062 499 1HB LYS 8 HB2 LYS 8 17.003 -4.929 -4.929 500 2HB LYS 8 HB1 LYS 8 15.254 -4.956 -4.956 501 1HG LYS 8 HG2 LYS 8 15.410 -7.483 -7.483 502 2HG LYS 8 HG1 LYS 8 17.050 -7.168 -7.168 503 1HD LYS 8 HD2 LYS 8 15.475 -5.214 -5.214 504 2HD LYS 8 HD1 LYS 8 14.519 -6.692 -6.692 505 1HE LYS 8 HE2 LYS 8 16.936 -7.702 -7.702 506 2HE LYS 8 HE1 LYS 8 17.123 -6.045 -6.045 507 1HZ LYS 8 HZ1 LYS 8 14.721 -7.717 -7.717 508 2HZ LYS 8 HZ3 LYS 8 16.014 -7.597 -7.597 509 3HZ LYS 8 HZ2 LYS 8 15.099 -6.218 -6.218 510 H ALA 9 HN ALA 9 16.273 -3.521 -3.521 511 HA ALA 9 HA ALA 9 13.666 -3.373 -3.373 512 1HB ALA 9 HB3 ALA 9 15.329 -1.605 -1.605 513 2HB ALA 9 HB2 ALA 9 15.868 -1.426 -1.426 514 3HB ALA 9 HB1 ALA 9 14.186 -1.105 -1.105 515 H LYS 10 HN LYS 10 16.801 -4.251 -4.251 516 HA LYS 10 HA LYS 10 16.559 -3.684 -3.684 517 1HB LYS 10 HB2 LYS 10 18.520 -4.418 -4.418 518 2HB LYS 10 HB1 LYS 10 18.008 -6.029 -6.029 519 1HG LYS 10 HG2 LYS 10 19.411 -5.676 -5.676 520 2HG LYS 10 HG1 LYS 10 18.042 -4.772 -4.772 521 1HD LYS 10 HD2 LYS 10 19.153 -2.856 -2.856 522 2HD LYS 10 HD1 LYS 10 20.600 -3.777 -3.777 523 1HE LYS 10 HE2 LYS 10 20.614 -2.698 -2.698 524 2HE LYS 10 HE1 LYS 10 19.111 -3.550 -3.550 525 1HZ LYS 10 HZ3 LYS 10 17.962 -1.824 -1.824 526 2HZ LYS 10 HZ2 LYS 10 19.412 -0.941 -0.941 527 3HZ LYS 10 HZ1 LYS 10 18.580 -1.269 -1.269 528 H LYS 11 HN LYS 11 16.334 -6.888 -6.888 529 HA LYS 11 HA LYS 11 15.293 -8.352 -8.352 530 1HB LYS 11 HB2 LYS 11 14.760 -9.906 -9.906 531 2HB LYS 11 HB1 LYS 11 15.869 -8.858 -8.858 532 1HG LYS 11 HG2 LYS 11 14.092 -8.943 -8.943 533 2HG LYS 11 HG1 LYS 11 13.664 -7.518 -7.518 534 1HD LYS 11 HD2 LYS 11 11.668 -8.697 -8.697 535 2HD LYS 11 HD1 LYS 11 12.484 -9.300 -9.300 536 1HE LYS 11 HE2 LYS 11 12.588 -11.406 -11.406 537 2HE LYS 11 HE1 LYS 11 13.216 -10.822 -10.822 538 1HZ LYS 11 HZ3 LYS 11 10.384 -10.637 -10.637 539 2HZ LYS 11 HZ2 LYS 11 10.984 -11.769 -11.769 540 3HZ LYS 11 HZ1 LYS 11 10.999 -10.111 -10.111 541 H LEU 12 HN LEU 12 13.609 -5.974 -5.974 542 HA LEU 12 HA LEU 12 10.941 -6.601 -6.601 543 1HB LEU 12 HB2 LEU 12 12.425 -4.292 -4.292 544 2HB LEU 12 HB1 LEU 12 10.766 -4.036 -4.036 545 HG LEU 12 HG LEU 12 11.674 -6.188 -6.188 546 1HD1 LEU 12 HD13 LEU 12 10.342 -3.503 -3.503 547 2HD1 LEU 12 HD12 LEU 12 10.114 -4.783 -4.783 548 3HD1 LEU 12 HD11 LEU 12 11.731 -4.156 -4.156 549 1HD2 LEU 12 HD22 LEU 12 9.356 -5.961 -5.961 550 2HD2 LEU 12 HD21 LEU 12 9.699 -7.179 -7.179 551 3HD2 LEU 12 HD23 LEU 12 8.857 -5.694 -5.694 552 H ILE 13 HN ILE 13 13.555 -5.308 -5.308 553 HA ILE 13 HA ILE 13 11.721 -4.518 -4.518 554 HB ILE 13 HB ILE 13 13.353 -2.514 -2.514 555 1HG1 ILE 13 HG12 ILE 13 13.869 -1.820 -1.820 556 2HG1 ILE 13 HG11 ILE 13 14.099 -3.557 -3.557 557 1HG2 ILE 13 HG21 ILE 13 11.313 -2.646 -2.646 558 2HG2 ILE 13 HG23 ILE 13 11.978 -1.145 -1.145 559 3HG2 ILE 13 HG22 ILE 13 11.016 -2.199 -2.199 560 1HD1 ILE 13 HD11 ILE 13 15.363 -1.929 -1.929 561 2HD1 ILE 13 HD13 ILE 13 16.161 -2.180 -2.180 562 3HD1 ILE 13 HD12 ILE 13 15.781 -3.561 -3.561 563 H GLU 14 HN GLU 14 13.212 -6.818 -6.818 564 HA GLU 14 HA GLU 14 15.317 -6.380 -6.380 565 1HB GLU 14 HB2 GLU 14 15.098 -8.234 -8.234 566 2HB GLU 14 HB1 GLU 14 16.439 -8.270 -8.270 567 1HG GLU 14 HG2 GLU 14 15.760 -5.621 -5.621 568 2HG GLU 14 HG1 GLU 14 16.456 -6.776 -6.776 Start of MODEL 8 1 1H CYS 1 HT2 CYS 1 3.496 -1.731 -1.731 2 2H CYS 1 HT1 CYS 1 2.526 -0.757 -0.757 3 3H CYS 1 HT3 CYS 1 1.804 -1.836 -1.836 4 HA CYS 1 HA CYS 1 2.378 -0.555 -0.555 5 1HB CYS 1 HB2 CYS 1 1.742 1.269 1.269 6 2HB CYS 1 HB1 CYS 1 1.421 1.637 1.637 7 H TYR 2 HN TYR 2 4.570 -0.350 -0.350 8 HA TYR 2 HA TYR 2 6.183 1.708 1.708 9 1HB TYR 2 HB2 TYR 2 6.996 2.345 2.345 10 2HB TYR 2 HB1 TYR 2 5.353 1.844 1.844 11 HD1 TYR 2 HD1 TYR 2 8.875 0.699 0.699 12 HD2 TYR 2 HD2 TYR 2 4.954 -0.045 -0.045 13 HE1 TYR 2 HE1 TYR 2 9.788 -1.107 -1.107 14 HE2 TYR 2 HE2 TYR 2 5.867 -1.855 -1.855 15 HH TYR 2 HH TYR 2 8.498 -2.270 -2.270 16 H LEU 3 HN LEU 3 5.894 -1.590 -1.590 17 HA LEU 3 HA LEU 3 8.468 -2.586 -2.586 18 1HB LEU 3 HB2 LEU 3 5.887 -3.475 -3.475 19 2HB LEU 3 HB1 LEU 3 7.249 -4.410 -4.410 20 HG LEU 3 HG LEU 3 7.962 -4.774 -4.774 21 1HD1 LEU 3 HD11 LEU 3 6.792 -2.525 -2.525 22 2HD1 LEU 3 HD13 LEU 3 5.429 -3.590 -3.590 23 3HD1 LEU 3 HD12 LEU 3 6.961 -3.832 -3.832 24 1HD2 LEU 3 HD22 LEU 3 5.335 -5.600 -5.600 25 2HD2 LEU 3 HD21 LEU 3 6.648 -6.590 -6.590 26 3HD2 LEU 3 HD23 LEU 3 5.524 -5.798 -5.798 27 H ARG 4 HN ARG 4 6.734 -2.577 -2.577 28 HA ARG 4 HA ARG 4 8.825 -2.932 -2.932 29 1HB ARG 4 HB2 ARG 4 7.391 -1.693 -1.693 30 2HB ARG 4 HB1 ARG 4 6.394 -2.686 -2.686 31 1HG ARG 4 HG2 ARG 4 6.995 0.164 0.164 32 2HG ARG 4 HG1 ARG 4 5.721 -0.189 -0.189 33 1HD ARG 4 HD2 ARG 4 5.878 -0.930 -0.930 34 2HD ARG 4 HD1 ARG 4 4.547 -0.181 -0.181 35 HE ARG 4 HE ARG 4 4.957 -3.008 -3.008 36 1HH1 ARG 4 HH21 ARG 4 3.159 -0.622 -0.622 37 2HH1 ARG 4 HH22 ARG 4 2.635 -1.609 -1.609 38 1HH2 ARG 4 HH11 ARG 4 4.705 -4.267 -4.267 39 2HH2 ARG 4 HH12 ARG 4 3.511 -3.669 -3.669 40 H ARG 5 HN ARG 5 8.034 -0.074 -0.074 41 HA ARG 5 HA ARG 5 10.007 1.612 1.612 42 1HB ARG 5 HB2 ARG 5 8.032 1.852 1.852 43 2HB ARG 5 HB1 ARG 5 9.320 3.047 3.047 44 1HG ARG 5 HG2 ARG 5 8.197 4.128 4.128 45 2HG ARG 5 HG1 ARG 5 8.340 2.701 2.701 46 1HD ARG 5 HD2 ARG 5 6.010 2.915 2.915 47 2HD ARG 5 HD1 ARG 5 6.335 1.822 1.822 48 HE ARG 5 HE ARG 5 6.410 3.889 3.889 49 1HH1 ARG 5 HH21 ARG 5 6.131 5.393 5.393 50 2HH1 ARG 5 HH22 ARG 5 4.567 6.097 6.097 51 1HH2 ARG 5 HH11 ARG 5 3.848 4.173 4.173 52 2HH2 ARG 5 HH12 ARG 5 3.276 5.407 5.407 53 H PHE 6 HN PHE 6 9.747 -0.110 -0.110 54 HA PHE 6 HA PHE 6 12.368 0.784 0.784 55 1HB PHE 6 HB2 PHE 6 10.815 0.400 0.400 56 2HB PHE 6 HB1 PHE 6 10.178 -1.018 -1.018 57 HD1 PHE 6 HD1 PHE 6 12.891 0.310 0.310 58 HD2 PHE 6 HD2 PHE 6 11.200 -3.175 -3.175 59 HE1 PHE 6 HE1 PHE 6 14.338 -1.120 -1.120 60 HE2 PHE 6 HE2 PHE 6 12.648 -4.609 -4.609 61 HZ PHE 6 HZ PHE 6 14.230 -3.592 -3.592 62 H PHE 7 HN PHE 7 10.940 -2.288 -2.288 63 HA PHE 7 HA PHE 7 13.194 -3.922 -3.922 64 1HB PHE 7 HB2 PHE 7 10.615 -3.855 -3.855 65 2HB PHE 7 HB1 PHE 7 11.770 -4.475 -4.475 66 HD1 PHE 7 HD1 PHE 7 13.737 -5.894 -5.894 67 HD2 PHE 7 HD2 PHE 7 9.530 -5.625 -5.625 68 HE1 PHE 7 HE1 PHE 7 13.844 -8.040 -8.040 69 HE2 PHE 7 HE2 PHE 7 9.632 -7.782 -7.782 70 HZ PHE 7 HZ PHE 7 11.791 -8.992 -8.992 71 H LYS 8 HN LYS 8 12.170 -1.747 -1.747 72 HA LYS 8 HA LYS 8 14.190 -2.237 -2.237 73 1HB LYS 8 HB2 LYS 8 12.209 -0.300 -0.300 74 2HB LYS 8 HB1 LYS 8 13.693 0.559 0.559 75 1HG LYS 8 HG2 LYS 8 13.883 -0.623 -0.623 76 2HG LYS 8 HG1 LYS 8 12.525 -1.668 -1.668 77 1HD LYS 8 HD2 LYS 8 11.859 0.163 0.163 78 2HD LYS 8 HD1 LYS 8 11.006 0.251 0.251 79 1HE LYS 8 HE2 LYS 8 12.395 2.044 2.044 80 2HE LYS 8 HE1 LYS 8 13.549 1.810 1.810 81 1HZ LYS 8 HZ1 LYS 8 11.287 2.070 2.070 82 2HZ LYS 8 HZ3 LYS 8 10.918 3.057 3.057 83 3HZ LYS 8 HZ2 LYS 8 12.288 3.388 3.388 84 H ALA 9 HN ALA 9 14.383 -0.761 -0.761 85 HA ALA 9 HA ALA 9 17.056 0.360 0.360 86 1HB ALA 9 HB2 ALA 9 15.277 1.567 1.567 87 2HB ALA 9 HB1 ALA 9 15.321 0.266 0.266 88 3HB ALA 9 HB3 ALA 9 16.737 1.291 1.291 89 H LYS 10 HN LYS 10 15.417 -2.033 -2.033 90 HA LYS 10 HA LYS 10 17.500 -3.101 -3.101 91 1HB LYS 10 HB2 LYS 10 15.008 -3.671 -3.671 92 2HB LYS 10 HB1 LYS 10 15.473 -4.738 -4.738 93 1HG LYS 10 HG2 LYS 10 15.554 -6.162 -6.162 94 2HG LYS 10 HG1 LYS 10 17.235 -5.667 -5.667 95 1HD LYS 10 HD2 LYS 10 17.249 -4.490 -4.490 96 2HD LYS 10 HD1 LYS 10 15.637 -3.834 -3.834 97 1HE LYS 10 HE2 LYS 10 14.679 -5.404 -5.404 98 2HE LYS 10 HE1 LYS 10 15.565 -6.713 -6.713 99 1HZ LYS 10 HZ2 LYS 10 16.888 -4.822 -4.822 100 2HZ LYS 10 HZ1 LYS 10 16.181 -6.267 -6.267 101 3HZ LYS 10 HZ3 LYS 10 17.463 -6.319 -6.319 102 H LYS 11 HN LYS 11 16.595 -3.987 -3.987 103 HA LYS 11 HA LYS 11 18.501 -5.955 -5.955 104 1HB LYS 11 HB2 LYS 11 17.527 -3.668 -3.668 105 2HB LYS 11 HB1 LYS 11 18.317 -5.123 -5.123 106 1HG LYS 11 HG2 LYS 11 15.994 -5.530 -5.530 107 2HG LYS 11 HG1 LYS 11 15.641 -4.917 -4.917 108 1HD LYS 11 HD2 LYS 11 16.927 -6.796 -6.796 109 2HD LYS 11 HD1 LYS 11 17.230 -7.420 -7.420 110 1HE LYS 11 HE2 LYS 11 14.742 -7.580 -7.580 111 2HE LYS 11 HE1 LYS 11 14.529 -7.131 -7.131 112 1HZ LYS 11 HZ1 LYS 11 16.348 -8.981 -8.981 113 2HZ LYS 11 HZ3 LYS 11 15.702 -9.563 -9.563 114 3HZ LYS 11 HZ2 LYS 11 14.700 -9.386 -9.386 115 H LEU 12 HN LEU 12 18.944 -2.490 -2.490 116 HA LEU 12 HA LEU 12 21.594 -2.353 -2.353 117 1HB LEU 12 HB2 LEU 12 20.242 -0.536 -0.536 118 2HB LEU 12 HB1 LEU 12 21.516 -0.098 -0.098 119 HG LEU 12 HG LEU 12 18.653 -0.852 -0.852 120 1HD1 LEU 12 HD13 LEU 12 20.024 1.595 1.595 121 2HD1 LEU 12 HD12 LEU 12 19.742 1.444 1.444 122 3HD1 LEU 12 HD11 LEU 12 18.385 1.368 1.368 123 1HD2 LEU 12 HD22 LEU 12 21.114 -0.842 -0.842 124 2HD2 LEU 12 HD21 LEU 12 19.788 -2.004 -2.004 125 3HD2 LEU 12 HD23 LEU 12 19.550 -0.416 -0.416 126 H ILE 13 HN ILE 13 20.404 -3.673 -3.673 127 HA ILE 13 HA ILE 13 23.159 -3.730 -3.730 128 HB ILE 13 HB ILE 13 21.970 -3.402 -3.402 129 1HG1 ILE 13 HG12 ILE 13 20.049 -1.580 -1.580 130 2HG1 ILE 13 HG11 ILE 13 19.778 -2.976 -2.976 131 1HG2 ILE 13 HG22 ILE 13 23.529 -1.789 -1.789 132 2HG2 ILE 13 HG21 ILE 13 22.115 -1.034 -1.034 133 3HG2 ILE 13 HG23 ILE 13 22.310 -1.017 -1.017 134 1HD1 ILE 13 HD12 ILE 13 20.160 -3.276 -3.276 135 2HD1 ILE 13 HD11 ILE 13 18.572 -2.947 -2.947 136 3HD1 ILE 13 HD13 ILE 13 19.439 -4.421 -4.421 137 H GLU 14 HN GLU 14 21.950 -5.769 -5.769 138 HA GLU 14 HA GLU 14 21.418 -7.743 -7.743 139 1HB GLU 14 HB2 GLU 14 20.179 -7.286 -7.286 140 2HB GLU 14 HB1 GLU 14 19.803 -8.681 -8.681 141 1HG GLU 14 HG2 GLU 14 19.655 -5.993 -5.993 142 2HG GLU 14 HG1 GLU 14 18.387 -6.391 -6.391 143 1H CYS 1 HT2 CYS 1 -0.380 0.620 0.620 144 2H CYS 1 HT1 CYS 1 -1.148 -0.276 -0.276 145 3H CYS 1 HT3 CYS 1 -0.519 -1.068 -1.068 146 HA CYS 1 HA CYS 1 1.169 -1.490 -1.490 147 1HB CYS 1 HB2 CYS 1 0.114 1.090 1.090 148 2HB CYS 1 HB1 CYS 1 1.702 0.505 0.505 149 H TYR 2 HN TYR 2 1.915 -1.098 -1.098 150 HA TYR 2 HA TYR 2 4.366 0.329 0.329 151 1HB TYR 2 HB2 TYR 2 3.825 2.424 2.424 152 2HB TYR 2 HB1 TYR 2 2.237 2.048 2.048 153 HD1 TYR 2 HD1 TYR 2 0.368 2.107 2.107 154 HD2 TYR 2 HD2 TYR 2 4.272 1.613 1.613 155 HE1 TYR 2 HE1 TYR 2 -0.610 2.219 2.219 156 HE2 TYR 2 HE2 TYR 2 3.308 1.718 1.718 157 HH TYR 2 HH TYR 2 0.142 1.297 1.297 158 H LEU 3 HN LEU 3 1.671 -1.030 -1.030 159 HA LEU 3 HA LEU 3 2.724 -1.378 -1.378 160 1HB LEU 3 HB2 LEU 3 0.993 -2.885 -2.885 161 2HB LEU 3 HB1 LEU 3 1.576 -3.782 -3.782 162 HG LEU 3 HG LEU 3 0.701 -2.071 -2.071 163 1HD1 LEU 3 HD12 LEU 3 1.074 -0.160 -0.160 164 2HD1 LEU 3 HD11 LEU 3 -0.297 -0.712 -0.712 165 3HD1 LEU 3 HD13 LEU 3 -0.547 -0.157 -0.157 166 1HD2 LEU 3 HD21 LEU 3 -0.788 -3.885 -3.885 167 2HD2 LEU 3 HD23 LEU 3 -1.429 -2.879 -2.879 168 3HD2 LEU 3 HD22 LEU 3 -1.643 -2.391 -2.391 169 H ARG 4 HN ARG 4 2.996 -3.802 -3.802 170 HA ARG 4 HA ARG 4 5.000 -5.441 -5.441 171 1HB ARG 4 HB2 ARG 4 5.545 -5.799 -5.799 172 2HB ARG 4 HB1 ARG 4 3.803 -5.647 -5.647 173 1HG ARG 4 HG2 ARG 4 5.474 -3.224 -3.224 174 2HG ARG 4 HG1 ARG 4 4.930 -4.311 -4.311 175 1HD ARG 4 HD2 ARG 4 2.573 -4.025 -4.025 176 2HD ARG 4 HD1 ARG 4 3.298 -2.538 -2.538 177 HE ARG 4 HE ARG 4 3.354 -1.660 -1.660 178 1HH1 ARG 4 HH11 ARG 4 1.665 -4.571 -4.571 179 2HH1 ARG 4 HH12 ARG 4 1.792 -4.874 -4.874 180 1HH2 ARG 4 HH21 ARG 4 3.974 -2.248 -2.248 181 2HH2 ARG 4 HH22 ARG 4 3.093 -3.562 -3.562 182 H ARG 5 HN ARG 5 5.292 -2.135 -2.135 183 HA ARG 5 HA ARG 5 8.222 -2.160 -2.160 184 1HB ARG 5 HB2 ARG 5 7.505 -0.672 -0.672 185 2HB ARG 5 HB1 ARG 5 6.035 -0.316 -0.316 186 1HG ARG 5 HG2 ARG 5 8.508 0.578 0.578 187 2HG ARG 5 HG1 ARG 5 8.158 1.391 1.391 188 1HD ARG 5 HD2 ARG 5 5.676 1.326 1.326 189 2HD ARG 5 HD1 ARG 5 6.811 1.670 1.670 190 HE ARG 5 HE ARG 5 7.496 3.210 3.210 191 1HH1 ARG 5 HH11 ARG 5 6.900 3.730 3.730 192 2HH1 ARG 5 HH12 ARG 5 5.835 5.084 5.084 193 1HH2 ARG 5 HH21 ARG 5 5.410 4.642 4.642 194 2HH2 ARG 5 HH22 ARG 5 4.991 5.600 5.600 195 H PHE 6 HN PHE 6 5.626 -0.641 -0.641 196 HA PHE 6 HA PHE 6 7.361 0.419 0.419 197 1HB PHE 6 HB2 PHE 6 5.330 1.482 1.482 198 2HB PHE 6 HB1 PHE 6 4.490 0.015 0.015 199 HD1 PHE 6 HD1 PHE 6 5.519 2.134 2.134 200 HD2 PHE 6 HD2 PHE 6 3.939 -1.708 -1.708 201 HE1 PHE 6 HE1 PHE 6 4.754 1.826 1.826 202 HE2 PHE 6 HE2 PHE 6 3.172 -2.026 -2.026 203 HZ PHE 6 HZ PHE 6 3.575 -0.260 -0.260 204 H PHE 7 HN PHE 7 5.207 -2.440 -2.440 205 HA PHE 7 HA PHE 7 5.832 -3.487 -3.487 206 1HB PHE 7 HB2 PHE 7 4.481 -4.209 -4.209 207 2HB PHE 7 HB1 PHE 7 5.347 -5.604 -5.604 208 HD1 PHE 7 HD1 PHE 7 2.227 -4.348 -4.348 209 HD2 PHE 7 HD2 PHE 7 5.307 -5.279 -5.279 210 HE1 PHE 7 HE1 PHE 7 0.517 -4.588 -4.588 211 HE2 PHE 7 HE2 PHE 7 3.609 -5.516 -5.516 212 HZ PHE 7 HZ PHE 7 1.205 -5.172 -5.172 213 H LYS 8 HN LYS 8 7.419 -3.998 -3.998 214 HA LYS 8 HA LYS 8 9.177 -6.050 -6.050 215 1HB LYS 8 HB2 LYS 8 8.983 -3.773 -3.773 216 2HB LYS 8 HB1 LYS 8 10.666 -4.083 -4.083 217 1HG LYS 8 HG2 LYS 8 8.924 -6.393 -6.393 218 2HG LYS 8 HG1 LYS 8 9.538 -5.338 -5.338 219 1HD LYS 8 HD2 LYS 8 11.409 -6.607 -6.607 220 2HD LYS 8 HD1 LYS 8 11.764 -5.724 -5.724 221 1HE LYS 8 HE2 LYS 8 11.145 -7.489 -7.489 222 2HE LYS 8 HE1 LYS 8 9.944 -8.092 -8.092 223 1HZ LYS 8 HZ3 LYS 8 11.748 -8.729 -8.729 224 2HZ LYS 8 HZ2 LYS 8 12.894 -8.182 -8.182 225 3HZ LYS 8 HZ1 LYS 8 11.904 -9.511 -9.511 226 H ALA 9 HN ALA 9 9.209 -2.807 -2.807 227 HA ALA 9 HA ALA 9 11.879 -3.070 -3.070 228 1HB ALA 9 HB1 ALA 9 9.654 -1.021 -1.021 229 2HB ALA 9 HB3 ALA 9 11.252 -0.821 -0.821 230 3HB ALA 9 HB2 ALA 9 11.080 -0.908 -0.908 231 H LYS 10 HN LYS 10 8.527 -3.403 -3.403 232 HA LYS 10 HA LYS 10 8.720 -3.469 -3.469 233 1HB LYS 10 HB2 LYS 10 6.811 -3.473 -3.473 234 2HB LYS 10 HB1 LYS 10 6.819 -5.171 -5.171 235 1HG LYS 10 HG2 LYS 10 5.278 -4.332 -4.332 236 2HG LYS 10 HG1 LYS 10 6.770 -4.232 -4.232 237 1HD LYS 10 HD2 LYS 10 7.007 -1.862 -1.862 238 2HD LYS 10 HD1 LYS 10 5.307 -2.024 -2.024 239 1HE LYS 10 HE2 LYS 10 6.329 -2.467 -2.467 240 2HE LYS 10 HE1 LYS 10 5.680 -0.918 -0.918 241 1HZ LYS 10 HZ2 LYS 10 3.704 -2.193 -2.193 242 2HZ LYS 10 HZ1 LYS 10 4.296 -3.543 -3.543 243 3HZ LYS 10 HZ3 LYS 10 3.864 -2.139 -2.139 244 H LYS 11 HN LYS 11 8.245 -6.254 -6.254 245 HA LYS 11 HA LYS 11 8.747 -8.341 -8.341 246 1HB LYS 11 HB2 LYS 11 9.063 -7.785 -7.785 247 2HB LYS 11 HB1 LYS 11 9.999 -9.161 -9.161 248 1HG LYS 11 HG2 LYS 11 7.180 -8.969 -8.969 249 2HG LYS 11 HG1 LYS 11 7.426 -9.388 -9.388 250 1HD LYS 11 HD2 LYS 11 9.130 -10.806 -10.806 251 2HD LYS 11 HD1 LYS 11 7.422 -11.241 -11.241 252 1HE LYS 11 HE2 LYS 11 7.599 -11.613 -11.613 253 2HE LYS 11 HE1 LYS 11 9.344 -11.304 -11.304 254 1HZ LYS 11 HZ1 LYS 11 9.435 -13.033 -13.033 255 2HZ LYS 11 HZ3 LYS 11 7.809 -13.403 -13.403 256 3HZ LYS 11 HZ2 LYS 11 8.979 -13.648 -13.648 257 H LEU 12 HN LEU 12 11.133 -6.213 -6.213 258 HA LEU 12 HA LEU 12 13.474 -7.657 -7.657 259 1HB LEU 12 HB2 LEU 12 12.792 -4.777 -4.777 260 2HB LEU 12 HB1 LEU 12 14.451 -5.264 -5.264 261 HG LEU 12 HG LEU 12 12.703 -6.325 -6.325 262 1HD1 LEU 12 HD13 LEU 12 14.751 -4.230 -4.230 263 2HD1 LEU 12 HD12 LEU 12 15.067 -5.385 -5.385 264 3HD1 LEU 12 HD11 LEU 12 13.547 -4.491 -4.491 265 1HD2 LEU 12 HD23 LEU 12 15.376 -7.182 -7.182 266 2HD2 LEU 12 HD22 LEU 12 13.995 -8.183 -8.183 267 3HD2 LEU 12 HD21 LEU 12 14.985 -7.436 -7.436 268 H ILE 13 HN ILE 13 11.250 -5.969 -5.969 269 HA ILE 13 HA ILE 13 13.086 -6.327 -6.327 270 HB ILE 13 HB ILE 13 12.243 -3.913 -3.913 271 1HG1 ILE 13 HG12 ILE 13 12.554 -2.997 -2.997 272 2HG1 ILE 13 HG11 ILE 13 11.214 -4.137 -4.137 273 1HG2 ILE 13 HG22 ILE 13 14.605 -4.711 -4.711 274 2HG2 ILE 13 HG21 ILE 13 14.369 -4.188 -4.188 275 3HG2 ILE 13 HG23 ILE 13 14.304 -3.010 -3.010 276 1HD1 ILE 13 HD13 ILE 13 10.859 -2.619 -2.619 277 2HD1 ILE 13 HD12 ILE 13 11.402 -1.437 -1.437 278 3HD1 ILE 13 HD11 ILE 13 9.972 -2.420 -2.420 279 H GLU 14 HN GLU 14 10.921 -7.871 -7.871 280 HA GLU 14 HA GLU 14 9.005 -6.999 -6.999 281 1HB GLU 14 HB2 GLU 14 8.614 -8.336 -8.336 282 2HB GLU 14 HB1 GLU 14 7.310 -8.089 -8.089 283 1HG GLU 14 HG2 GLU 14 9.005 -5.751 -5.751 284 2HG GLU 14 HG1 GLU 14 7.827 -6.302 -6.302 285 1H CYS 1 HT2 CYS 1 26.074 -2.674 -2.674 286 2H CYS 1 HT1 CYS 1 27.104 -1.341 -1.341 287 3H CYS 1 HT3 CYS 1 26.201 -1.939 -1.939 288 HA CYS 1 HA CYS 1 24.828 -0.204 -0.204 289 1HB CYS 1 HB2 CYS 1 24.760 0.580 0.580 290 2HB CYS 1 HB1 CYS 1 26.375 0.643 0.643 291 H TYR 2 HN TYR 2 22.747 -0.039 -0.039 292 HA TYR 2 HA TYR 2 21.435 -1.851 -1.851 293 1HB TYR 2 HB2 TYR 2 20.891 -3.649 -3.649 294 2HB TYR 2 HB1 TYR 2 22.307 -3.137 -3.137 295 HD1 TYR 2 HD1 TYR 2 22.087 -2.140 -2.140 296 HD2 TYR 2 HD2 TYR 2 18.641 -2.779 -2.779 297 HE1 TYR 2 HE1 TYR 2 20.625 -1.468 -1.468 298 HE2 TYR 2 HE2 TYR 2 17.170 -2.112 -2.112 299 HH TYR 2 HH TYR 2 18.492 -0.846 -0.846 300 H LEU 3 HN LEU 3 21.288 -0.069 -0.069 301 HA LEU 3 HA LEU 3 18.619 0.664 0.664 302 1HB LEU 3 HB2 LEU 3 20.288 1.147 1.147 303 2HB LEU 3 HB1 LEU 3 21.150 2.174 2.174 304 HG LEU 3 HG LEU 3 18.620 3.144 3.144 305 1HD1 LEU 3 HD13 LEU 3 19.293 2.426 2.426 306 2HD1 LEU 3 HD12 LEU 3 17.952 3.461 3.461 307 3HD1 LEU 3 HD11 LEU 3 17.968 1.756 1.756 308 1HD2 LEU 3 HD23 LEU 3 21.136 4.074 4.074 309 2HD2 LEU 3 HD22 LEU 3 19.686 5.075 5.075 310 3HD2 LEU 3 HD21 LEU 3 20.335 4.384 4.384 311 H ARG 4 HN ARG 4 21.272 2.304 2.304 312 HA ARG 4 HA ARG 4 19.877 4.381 4.381 313 1HB ARG 4 HB2 ARG 4 21.928 2.612 2.612 314 2HB ARG 4 HB1 ARG 4 21.709 4.351 4.351 315 1HG ARG 4 HG2 ARG 4 23.365 4.568 4.568 316 2HG ARG 4 HG1 ARG 4 22.165 4.072 4.072 317 1HD ARG 4 HD2 ARG 4 22.824 1.637 1.637 318 2HD ARG 4 HD1 ARG 4 24.242 2.357 2.357 319 HE ARG 4 HE ARG 4 24.037 2.045 2.045 320 1HH1 ARG 4 HH11 ARG 4 26.384 3.221 3.221 321 2HH1 ARG 4 HH12 ARG 4 26.528 4.779 4.779 322 1HH2 ARG 4 HH21 ARG 4 23.401 4.645 4.645 323 2HH2 ARG 4 HH22 ARG 4 24.836 5.586 5.586 324 H ARG 5 HN ARG 5 19.921 0.946 0.946 325 HA ARG 5 HA ARG 5 18.357 1.071 1.071 326 1HB ARG 5 HB2 ARG 5 19.258 -0.975 -0.975 327 2HB ARG 5 HB1 ARG 5 20.169 -0.669 -0.669 328 1HG ARG 5 HG2 ARG 5 18.018 -1.550 -1.550 329 2HG ARG 5 HG1 ARG 5 17.632 -2.246 -2.246 330 1HD ARG 5 HD2 ARG 5 20.410 -2.758 -2.758 331 2HD ARG 5 HD1 ARG 5 19.344 -3.364 -3.364 332 HE ARG 5 HE ARG 5 18.137 -4.030 -4.030 333 1HH1 ARG 5 HH11 ARG 5 20.801 -4.830 -4.830 334 2HH1 ARG 5 HH12 ARG 5 21.083 -6.364 -6.364 335 1HH2 ARG 5 HH21 ARG 5 18.578 -5.975 -5.975 336 2HH2 ARG 5 HH22 ARG 5 19.827 -7.012 -7.012 337 H PHE 6 HN PHE 6 17.755 0.637 0.637 338 HA PHE 6 HA PHE 6 15.020 -0.364 -0.364 339 1HB PHE 6 HB2 PHE 6 15.601 -1.392 -1.392 340 2HB PHE 6 HB1 PHE 6 17.013 -0.358 -0.358 341 HD1 PHE 6 HD1 PHE 6 13.506 -0.858 -0.858 342 HD2 PHE 6 HD2 PHE 6 16.945 1.661 1.661 343 HE1 PHE 6 HE1 PHE 6 12.429 0.280 0.280 344 HE2 PHE 6 HE2 PHE 6 15.870 2.804 2.804 345 HZ PHE 6 HZ PHE 6 13.603 2.122 2.122 346 H PHE 7 HN PHE 7 16.562 2.532 2.532 347 HA PHE 7 HA PHE 7 14.069 3.842 3.842 348 1HB PHE 7 HB2 PHE 7 15.444 5.312 5.312 349 2HB PHE 7 HB1 PHE 7 16.667 4.080 4.080 350 HD1 PHE 7 HD1 PHE 7 15.090 7.083 7.083 351 HD2 PHE 7 HD2 PHE 7 18.601 4.630 4.630 352 HE1 PHE 7 HE1 PHE 7 16.364 8.703 8.703 353 HE2 PHE 7 HE2 PHE 7 19.875 6.255 6.255 354 HZ PHE 7 HZ PHE 7 18.757 8.290 8.290 355 H LYS 8 HN LYS 8 16.154 3.692 3.692 356 HA LYS 8 HA LYS 8 15.317 6.010 6.010 357 1HB LYS 8 HB2 LYS 8 17.088 5.063 5.063 358 2HB LYS 8 HB1 LYS 8 16.682 3.480 3.480 359 1HG LYS 8 HG2 LYS 8 16.550 3.420 3.420 360 2HG LYS 8 HG1 LYS 8 14.938 3.253 3.253 361 1HD LYS 8 HD2 LYS 8 14.954 4.852 4.852 362 2HD LYS 8 HD1 LYS 8 14.499 5.638 5.638 363 1HE LYS 8 HE2 LYS 8 16.525 6.790 6.790 364 2HE LYS 8 HE1 LYS 8 17.397 5.599 5.599 365 1HZ LYS 8 HZ2 LYS 8 15.134 7.100 7.100 366 2HZ LYS 8 HZ1 LYS 8 16.674 7.814 7.814 367 3HZ LYS 8 HZ3 LYS 8 16.444 6.368 6.368 368 H ALA 9 HN ALA 9 14.101 2.655 2.655 369 HA ALA 9 HA ALA 9 11.950 3.216 3.216 370 1HB ALA 9 HB1 ALA 9 13.143 1.008 1.008 371 2HB ALA 9 HB3 ALA 9 11.906 1.033 1.033 372 3HB ALA 9 HB2 ALA 9 11.437 0.956 0.956 373 H LYS 10 HN LYS 10 12.391 3.614 3.614 374 HA LYS 10 HA LYS 10 9.649 3.677 3.677 375 1HB LYS 10 HB2 LYS 10 12.112 3.562 3.562 376 2HB LYS 10 HB1 LYS 10 11.648 5.228 5.228 377 1HG LYS 10 HG2 LYS 10 10.709 4.196 4.196 378 2HG LYS 10 HG1 LYS 10 9.356 4.116 4.116 379 1HD LYS 10 HD2 LYS 10 9.728 1.848 1.848 380 2HD LYS 10 HD1 LYS 10 11.392 1.902 1.902 381 1HE LYS 10 HE2 LYS 10 10.161 0.757 0.757 382 2HE LYS 10 HE1 LYS 10 10.377 2.409 2.409 383 1HZ LYS 10 HZ3 LYS 10 8.064 1.764 1.764 384 2HZ LYS 10 HZ2 LYS 10 8.011 1.389 1.389 385 3HZ LYS 10 HZ1 LYS 10 8.231 2.997 2.997 386 H LYS 11 HN LYS 11 11.989 6.377 6.377 387 HA LYS 11 HA LYS 11 10.300 8.542 8.542 388 1HB LYS 11 HB2 LYS 11 12.700 8.026 8.026 389 2HB LYS 11 HB1 LYS 11 11.973 9.627 9.627 390 1HG LYS 11 HG2 LYS 11 12.556 8.198 8.198 391 2HG LYS 11 HG1 LYS 11 13.938 8.812 8.812 392 1HD LYS 11 HD2 LYS 11 13.203 11.041 11.041 393 2HD LYS 11 HD1 LYS 11 11.547 10.566 10.566 394 1HE LYS 11 HE2 LYS 11 12.294 11.167 11.167 395 2HE LYS 11 HE1 LYS 11 12.755 9.452 9.452 396 1HZ LYS 11 HZ2 LYS 11 14.875 10.273 10.273 397 2HZ LYS 11 HZ1 LYS 11 14.442 11.814 11.814 398 3HZ LYS 11 HZ3 LYS 11 14.725 10.551 10.551 399 H LEU 12 HN LEU 12 10.707 6.473 6.473 400 HA LEU 12 HA LEU 12 9.378 8.043 8.043 401 1HB LEU 12 HB2 LEU 12 9.744 5.081 5.081 402 2HB LEU 12 HB1 LEU 12 8.981 5.716 5.716 403 HG LEU 12 HG LEU 12 11.771 6.380 6.380 404 1HD1 LEU 12 HD12 LEU 12 10.639 4.497 4.497 405 2HD1 LEU 12 HD11 LEU 12 12.086 5.383 5.383 406 3HD1 LEU 12 HD13 LEU 12 12.112 4.366 4.366 407 1HD2 LEU 12 HD22 LEU 12 10.058 7.460 7.460 408 2HD2 LEU 12 HD21 LEU 12 11.019 8.350 8.350 409 3HD2 LEU 12 HD23 LEU 12 11.817 7.478 7.478 410 H ILE 13 HN ILE 13 8.126 6.413 6.413 411 HA ILE 13 HA ILE 13 5.385 7.106 7.106 412 HB ILE 13 HB ILE 13 4.745 4.758 4.758 413 1HG1 ILE 13 HG12 ILE 13 6.784 3.236 3.236 414 2HG1 ILE 13 HG11 ILE 13 7.709 4.608 4.608 415 1HG2 ILE 13 HG21 ILE 13 4.587 5.564 5.564 416 2HG2 ILE 13 HG23 ILE 13 6.206 4.913 4.913 417 3HG2 ILE 13 HG22 ILE 13 4.879 3.832 3.832 418 1HD1 ILE 13 HD11 ILE 13 5.635 3.975 3.975 419 2HD1 ILE 13 HD13 ILE 13 6.573 2.525 2.525 420 3HD1 ILE 13 HD12 ILE 13 7.383 3.974 3.974 421 H GLU 14 HN GLU 14 6.914 8.398 8.398 422 HA GLU 14 HA GLU 14 5.528 7.726 7.726 423 1HB GLU 14 HB2 GLU 14 8.354 8.569 8.569 424 2HB GLU 14 HB1 GLU 14 7.705 8.415 8.415 425 1HG GLU 14 HG2 GLU 14 7.341 6.130 6.130 426 2HG GLU 14 HG1 GLU 14 8.949 6.384 6.384 427 1H CYS 1 HT1 CYS 1 23.617 -0.680 -0.680 428 2H CYS 1 HT3 CYS 1 24.709 -1.939 -1.939 429 3H CYS 1 HT2 CYS 1 24.535 -0.675 -0.675 430 HA CYS 1 HA CYS 1 25.485 0.902 0.902 431 1HB CYS 1 HB2 CYS 1 26.874 -1.706 -1.706 432 2HB CYS 1 HB1 CYS 1 27.748 -0.376 -0.376 433 H TYR 2 HN TYR 2 24.053 -1.673 -1.673 434 HA TYR 2 HA TYR 2 25.504 -1.263 -1.263 435 1HB TYR 2 HB2 TYR 2 24.739 -3.410 -3.410 436 2HB TYR 2 HB1 TYR 2 24.773 -3.560 -3.560 437 HD1 TYR 2 HD1 TYR 2 22.607 -2.771 -2.771 438 HD2 TYR 2 HD2 TYR 2 22.764 -3.807 -3.807 439 HE1 TYR 2 HE1 TYR 2 20.161 -3.072 -3.072 440 HE2 TYR 2 HE2 TYR 2 20.313 -4.123 -4.123 441 HH TYR 2 HH TYR 2 18.450 -4.194 -4.194 442 H LEU 3 HN LEU 3 22.612 -0.657 -0.657 443 HA LEU 3 HA LEU 3 20.750 -0.052 -0.052 444 1HB LEU 3 HB2 LEU 3 21.061 0.241 0.241 445 2HB LEU 3 HB1 LEU 3 20.767 1.865 1.865 446 HG LEU 3 HG LEU 3 19.098 -0.089 -0.089 447 1HD1 LEU 3 HD13 LEU 3 19.422 -1.010 -1.010 448 2HD1 LEU 3 HD12 LEU 3 18.457 0.380 0.380 449 3HD1 LEU 3 HD11 LEU 3 17.777 -0.819 -0.819 450 1HD2 LEU 3 HD23 LEU 3 19.122 2.619 2.619 451 2HD2 LEU 3 HD22 LEU 3 17.858 1.770 1.770 452 3HD2 LEU 3 HD21 LEU 3 17.756 1.911 1.911 453 H ARG 4 HN ARG 4 23.528 1.769 1.769 454 HA ARG 4 HA ARG 4 23.014 4.240 4.240 455 1HB ARG 4 HB2 ARG 4 25.637 4.257 4.257 456 2HB ARG 4 HB1 ARG 4 24.855 4.230 4.230 457 1HG ARG 4 HG2 ARG 4 26.760 2.622 2.622 458 2HG ARG 4 HG1 ARG 4 25.238 1.837 1.837 459 1HD ARG 4 HD2 ARG 4 25.102 0.790 0.790 460 2HD ARG 4 HD1 ARG 4 25.930 2.101 2.101 461 HE ARG 4 HE ARG 4 27.196 -0.177 -0.177 462 1HH1 ARG 4 HH21 ARG 4 27.477 3.113 3.113 463 2HH1 ARG 4 HH22 ARG 4 29.208 3.095 3.095 464 1HH2 ARG 4 HH11 ARG 4 29.458 -0.196 -0.196 465 2HH2 ARG 4 HH12 ARG 4 30.329 1.225 1.225 466 H ARG 5 HN ARG 5 23.702 1.120 1.120 467 HA ARG 5 HA ARG 5 24.345 2.204 2.204 468 1HB ARG 5 HB2 ARG 5 25.533 0.249 0.249 469 2HB ARG 5 HB1 ARG 5 25.614 0.320 0.320 470 1HG ARG 5 HG2 ARG 5 23.243 -0.987 -0.987 471 2HG ARG 5 HG1 ARG 5 24.123 -1.547 -1.547 472 1HD ARG 5 HD2 ARG 5 25.414 -1.574 -1.574 473 2HD ARG 5 HD1 ARG 5 24.422 -2.931 -2.931 474 HE ARG 5 HE ARG 5 25.966 -2.901 -2.901 475 1HH1 ARG 5 HH11 ARG 5 27.345 -0.513 -0.513 476 2HH1 ARG 5 HH12 ARG 5 28.834 -1.303 -1.303 477 1HH2 ARG 5 HH21 ARG 5 27.701 -4.461 -4.461 478 2HH2 ARG 5 HH22 ARG 5 29.032 -3.536 -3.536 479 H PHE 6 HN PHE 6 21.871 0.706 0.706 480 HA PHE 6 HA PHE 6 20.356 -0.132 -0.132 481 1HB PHE 6 HB2 PHE 6 20.255 -1.817 -1.817 482 2HB PHE 6 HB1 PHE 6 20.339 -0.692 -0.692 483 HD1 PHE 6 HD1 PHE 6 18.366 0.400 0.400 484 HD2 PHE 6 HD2 PHE 6 18.173 -2.287 -2.287 485 HE1 PHE 6 HE1 PHE 6 15.916 0.279 0.279 486 HE2 PHE 6 HE2 PHE 6 15.723 -2.410 -2.410 487 HZ PHE 6 HZ PHE 6 14.573 -1.126 -1.126 488 H PHE 7 HN PHE 7 20.008 2.008 2.008 489 HA PHE 7 HA PHE 7 17.454 3.028 3.028 490 1HB PHE 7 HB2 PHE 7 17.652 4.161 4.161 491 2HB PHE 7 HB1 PHE 7 19.037 3.099 3.099 492 HD1 PHE 7 HD1 PHE 7 18.146 6.402 6.402 493 HD2 PHE 7 HD2 PHE 7 21.120 4.037 4.037 494 HE1 PHE 7 HE1 PHE 7 19.639 8.378 8.378 495 HE2 PHE 7 HE2 PHE 7 22.611 6.012 6.012 496 HZ PHE 7 HZ PHE 7 21.873 8.183 8.183 497 H LYS 8 HN LYS 8 20.754 3.837 3.837 498 HA LYS 8 HA LYS 8 20.585 6.394 6.394 499 1HB LYS 8 HB2 LYS 8 22.215 4.095 4.095 500 2HB LYS 8 HB1 LYS 8 21.973 4.690 4.690 501 1HG LYS 8 HG2 LYS 8 22.518 7.020 7.020 502 2HG LYS 8 HG1 LYS 8 23.161 6.132 6.132 503 1HD LYS 8 HD2 LYS 8 24.069 5.030 5.030 504 2HD LYS 8 HD1 LYS 8 24.548 6.713 6.713 505 1HE LYS 8 HE2 LYS 8 24.975 5.426 5.426 506 2HE LYS 8 HE1 LYS 8 25.679 4.384 4.384 507 1HZ LYS 8 HZ2 LYS 8 26.513 6.589 6.589 508 2HZ LYS 8 HZ1 LYS 8 26.243 7.225 7.225 509 3HZ LYS 8 HZ3 LYS 8 27.337 5.947 5.947 510 H ALA 9 HN ALA 9 19.673 3.359 3.359 511 HA ALA 9 HA ALA 9 18.604 4.719 4.719 512 1HB ALA 9 HB3 ALA 9 19.611 2.343 2.343 513 2HB ALA 9 HB2 ALA 9 18.043 1.893 1.893 514 3HB ALA 9 HB1 ALA 9 18.155 2.496 2.496 515 H LYS 10 HN LYS 10 17.382 3.400 3.400 516 HA LYS 10 HA LYS 10 14.634 3.346 3.346 517 1HB LYS 10 HB2 LYS 10 16.042 2.775 2.775 518 2HB LYS 10 HB1 LYS 10 15.925 4.489 4.489 519 1HG LYS 10 HG2 LYS 10 13.989 3.964 3.964 520 2HG LYS 10 HG1 LYS 10 13.317 3.846 3.846 521 1HD LYS 10 HD2 LYS 10 14.470 1.394 1.394 522 2HD LYS 10 HD1 LYS 10 14.023 1.698 1.698 523 1HE LYS 10 HE2 LYS 10 11.873 2.483 2.483 524 2HE LYS 10 HE1 LYS 10 12.303 0.773 0.773 525 1HZ LYS 10 HZ2 LYS 10 12.371 0.681 0.681 526 2HZ LYS 10 HZ1 LYS 10 11.576 2.182 2.182 527 3HZ LYS 10 HZ3 LYS 10 10.827 0.825 0.825 528 H LYS 11 HN LYS 11 16.558 6.137 6.137 529 HA LYS 11 HA LYS 11 14.650 8.104 8.104 530 1HB LYS 11 HB2 LYS 11 17.488 7.912 7.912 531 2HB LYS 11 HB1 LYS 11 16.716 9.362 9.362 532 1HG LYS 11 HG2 LYS 11 16.136 8.620 8.620 533 2HG LYS 11 HG1 LYS 11 17.716 9.312 9.312 534 1HD LYS 11 HD2 LYS 11 16.293 11.084 11.084 535 2HD LYS 11 HD1 LYS 11 14.997 10.550 10.550 536 1HE LYS 11 HE2 LYS 11 16.033 12.386 12.386 537 2HE LYS 11 HE1 LYS 11 16.685 10.937 10.937 538 1HZ LYS 11 HZ2 LYS 11 18.054 11.832 11.832 539 2HZ LYS 11 HZ1 LYS 11 18.242 12.819 12.819 540 3HZ LYS 11 HZ3 LYS 11 18.694 11.187 11.187 541 H LEU 12 HN LEU 12 15.996 6.805 6.805 542 HA LEU 12 HA LEU 12 14.784 8.662 8.662 543 1HB LEU 12 HB2 LEU 12 15.705 5.801 5.801 544 2HB LEU 12 HB1 LEU 12 15.220 6.801 6.801 545 HG LEU 12 HG LEU 12 17.348 7.628 7.628 546 1HD1 LEU 12 HD13 LEU 12 17.897 5.537 5.537 547 2HD1 LEU 12 HD12 LEU 12 17.776 6.530 6.530 548 3HD1 LEU 12 HD11 LEU 12 19.000 6.891 6.891 549 1HD2 LEU 12 HD21 LEU 12 16.074 8.793 8.793 550 2HD2 LEU 12 HD23 LEU 12 16.843 9.599 9.599 551 3HD2 LEU 12 HD22 LEU 12 17.830 8.933 8.933 552 H ILE 13 HN ILE 13 13.373 6.154 6.154 553 HA ILE 13 HA ILE 13 10.848 6.458 6.458 554 HB ILE 13 HB ILE 13 10.501 4.004 4.004 555 1HG1 ILE 13 HG12 ILE 13 12.855 2.859 2.859 556 2HG1 ILE 13 HG11 ILE 13 13.216 4.314 4.314 557 1HG2 ILE 13 HG23 ILE 13 11.452 5.121 5.121 558 2HG2 ILE 13 HG22 ILE 13 13.057 4.725 4.725 559 3HG2 ILE 13 HG21 ILE 13 11.926 3.434 3.434 560 1HD1 ILE 13 HD12 ILE 13 10.680 3.566 3.566 561 2HD1 ILE 13 HD11 ILE 13 11.548 2.039 2.039 562 3HD1 ILE 13 HD13 ILE 13 12.197 3.324 3.324 563 H GLU 14 HN GLU 14 12.366 5.437 5.437 564 HA GLU 14 HA GLU 14 11.576 5.153 5.153 565 1HB GLU 14 HB2 GLU 14 9.962 7.600 7.600 566 2HB GLU 14 HB1 GLU 14 10.859 7.257 7.257 567 1HG GLU 14 HG2 GLU 14 12.838 7.153 7.153 568 2HG GLU 14 HG1 GLU 14 11.789 8.436 8.436 Start of MODEL 9 1 1H CYS 1 HT2 CYS 1 3.462 3.012 3.012 2 2H CYS 1 HT1 CYS 1 2.415 4.339 4.339 3 3H CYS 1 HT3 CYS 1 4.005 4.434 4.434 4 HA CYS 1 HA CYS 1 3.909 5.648 5.648 5 1HB CYS 1 HB2 CYS 1 2.328 3.207 3.207 6 2HB CYS 1 HB1 CYS 1 3.258 3.918 3.918 7 H TYR 2 HN TYR 2 5.599 3.574 3.574 8 HA TYR 2 HA TYR 2 7.550 3.145 3.145 9 1HB TYR 2 HB2 TYR 2 7.776 0.915 0.915 10 2HB TYR 2 HB1 TYR 2 6.095 1.166 1.166 11 HD1 TYR 2 HD1 TYR 2 9.585 1.241 1.241 12 HD2 TYR 2 HD2 TYR 2 5.429 1.004 1.004 13 HE1 TYR 2 HE1 TYR 2 10.194 0.800 0.800 14 HE2 TYR 2 HE2 TYR 2 6.023 0.551 0.551 15 HH TYR 2 HH TYR 2 9.327 0.805 0.805 16 H LEU 3 HN LEU 3 6.959 4.115 4.115 17 HA LEU 3 HA LEU 3 9.451 3.984 3.984 18 1HB LEU 3 HB2 LEU 3 7.173 5.856 5.856 19 2HB LEU 3 HB1 LEU 3 8.636 6.438 6.438 20 HG LEU 3 HG LEU 3 8.638 4.482 4.482 21 1HD1 LEU 3 HD11 LEU 3 7.606 2.928 2.928 22 2HD1 LEU 3 HD13 LEU 3 6.058 3.731 3.731 23 3HD1 LEU 3 HD12 LEU 3 6.825 2.845 2.845 24 1HD2 LEU 3 HD22 LEU 3 6.436 6.402 6.402 25 2HD2 LEU 3 HD21 LEU 3 7.412 5.910 5.910 26 3HD2 LEU 3 HD23 LEU 3 6.023 4.940 4.940 27 H ARG 4 HN ARG 4 8.235 6.224 6.224 28 HA ARG 4 HA ARG 4 10.513 7.931 7.931 29 1HB ARG 4 HB2 ARG 4 8.794 7.223 7.223 30 2HB ARG 4 HB1 ARG 4 9.310 8.812 8.812 31 1HG ARG 4 HG2 ARG 4 7.174 9.009 9.009 32 2HG ARG 4 HG1 ARG 4 7.719 7.999 7.999 33 1HD ARG 4 HD2 ARG 4 6.945 5.963 5.963 34 2HD ARG 4 HD1 ARG 4 6.488 6.943 6.943 35 HE ARG 4 HE ARG 4 5.012 6.791 6.791 36 1HH1 ARG 4 HH21 ARG 4 4.372 7.421 7.421 37 2HH1 ARG 4 HH22 ARG 4 3.587 8.950 8.950 38 1HH2 ARG 4 HH11 ARG 4 4.623 9.325 9.325 39 2HH2 ARG 4 HH12 ARG 4 3.730 10.030 10.030 40 H ARG 5 HN ARG 5 9.494 4.908 4.908 41 HA ARG 5 HA ARG 5 11.884 4.744 4.744 42 1HB ARG 5 HB2 ARG 5 9.510 3.035 3.035 43 2HB ARG 5 HB1 ARG 5 10.789 2.490 2.490 44 1HG ARG 5 HG2 ARG 5 9.757 3.610 3.610 45 2HG ARG 5 HG1 ARG 5 10.183 5.108 5.108 46 1HD ARG 5 HD2 ARG 5 7.836 5.271 5.271 47 2HD ARG 5 HD1 ARG 5 8.058 4.554 4.554 48 HE ARG 5 HE ARG 5 7.783 2.302 2.302 49 1HH1 ARG 5 HH21 ARG 5 7.444 4.462 4.462 50 2HH1 ARG 5 HH22 ARG 5 5.825 4.033 4.033 51 1HH2 ARG 5 HH11 ARG 5 5.297 2.070 2.070 52 2HH2 ARG 5 HH12 ARG 5 4.609 2.682 2.682 53 H PHE 6 HN PHE 6 11.355 4.225 4.225 54 HA PHE 6 HA PHE 6 13.229 1.910 1.910 55 1HB PHE 6 HB2 PHE 6 11.359 1.339 1.339 56 2HB PHE 6 HB1 PHE 6 11.038 3.005 3.005 57 HD1 PHE 6 HD1 PHE 6 11.147 3.320 3.320 58 HD2 PHE 6 HD2 PHE 6 13.948 0.694 0.694 59 HE1 PHE 6 HE1 PHE 6 12.243 2.919 2.919 60 HE2 PHE 6 HE2 PHE 6 15.046 0.292 0.292 61 HZ PHE 6 HZ PHE 6 14.204 1.403 1.403 62 H PHE 7 HN PHE 7 12.594 5.005 5.005 63 HA PHE 7 HA PHE 7 15.157 5.033 5.033 64 1HB PHE 7 HB2 PHE 7 14.372 6.992 6.992 65 2HB PHE 7 HB1 PHE 7 12.856 6.257 6.257 66 HD1 PHE 7 HD1 PHE 7 15.538 8.553 8.553 67 HD2 PHE 7 HD2 PHE 7 11.369 7.496 7.496 68 HE1 PHE 7 HE1 PHE 7 15.037 10.551 10.551 69 HE2 PHE 7 HE2 PHE 7 10.875 9.493 9.493 70 HZ PHE 7 HZ PHE 7 12.705 11.022 11.022 71 H LYS 8 HN LYS 8 14.053 6.020 6.020 72 HA LYS 8 HA LYS 8 16.053 7.902 7.902 73 1HB LYS 8 HB2 LYS 8 14.038 6.314 6.314 74 2HB LYS 8 HB1 LYS 8 15.478 6.392 6.392 75 1HG LYS 8 HG2 LYS 8 15.436 8.771 8.771 76 2HG LYS 8 HG1 LYS 8 14.264 8.852 8.852 77 1HD LYS 8 HD2 LYS 8 12.905 7.322 7.322 78 2HD LYS 8 HD1 LYS 8 13.828 8.374 8.374 79 1HE LYS 8 HE2 LYS 8 12.686 9.861 9.861 80 2HE LYS 8 HE1 LYS 8 11.441 9.061 9.061 81 1HZ LYS 8 HZ1 LYS 8 12.540 9.922 9.922 82 2HZ LYS 8 HZ3 LYS 8 13.662 10.750 10.750 83 3HZ LYS 8 HZ2 LYS 8 12.019 11.182 11.182 84 H ALA 9 HN ALA 9 15.981 4.404 4.404 85 HA ALA 9 HA ALA 9 18.689 4.275 4.275 86 1HB ALA 9 HB1 ALA 9 16.673 2.680 2.680 87 2HB ALA 9 HB3 ALA 9 17.105 2.027 2.027 88 3HB ALA 9 HB2 ALA 9 18.253 1.938 1.938 89 H LYS 10 HN LYS 10 17.212 4.313 4.313 90 HA LYS 10 HA LYS 10 19.258 3.030 3.030 91 1HB LYS 10 HB2 LYS 10 16.772 3.929 3.929 92 2HB LYS 10 HB1 LYS 10 17.699 5.239 5.239 93 1HG LYS 10 HG2 LYS 10 18.063 3.989 3.989 94 2HG LYS 10 HG1 LYS 10 18.901 2.802 2.802 95 1HD LYS 10 HD2 LYS 10 16.604 1.884 1.884 96 2HD LYS 10 HD1 LYS 10 15.954 2.900 2.900 97 1HE LYS 10 HE2 LYS 10 16.491 0.511 0.511 98 2HE LYS 10 HE1 LYS 10 17.312 1.757 1.757 99 1HZ LYS 10 HZ2 LYS 10 18.638 0.947 0.947 100 2HZ LYS 10 HZ1 LYS 10 18.617 -0.215 -0.215 101 3HZ LYS 10 HZ3 LYS 10 19.301 1.312 1.312 102 H LYS 11 HN LYS 11 18.493 6.522 6.522 103 HA LYS 11 HA LYS 11 20.663 7.672 7.672 104 1HB LYS 11 HB2 LYS 11 19.335 8.364 8.364 105 2HB LYS 11 HB1 LYS 11 20.420 9.464 9.464 106 1HG LYS 11 HG2 LYS 11 18.425 8.376 8.376 107 2HG LYS 11 HG1 LYS 11 17.662 9.174 9.174 108 1HD LYS 11 HD2 LYS 11 18.288 11.223 11.223 109 2HD LYS 11 HD1 LYS 11 19.937 10.688 10.688 110 1HE LYS 11 HE2 LYS 11 18.260 9.464 9.464 111 2HE LYS 11 HE1 LYS 11 17.869 11.194 11.194 112 1HZ LYS 11 HZ1 LYS 11 20.310 11.615 11.615 113 2HZ LYS 11 HZ3 LYS 11 20.558 9.968 9.968 114 3HZ LYS 11 HZ2 LYS 11 19.750 10.938 10.938 115 H LEU 12 HN LEU 12 20.689 6.002 6.002 116 HA LEU 12 HA LEU 12 23.287 6.798 6.798 117 1HB LEU 12 HB2 LEU 12 21.753 4.248 4.248 118 2HB LEU 12 HB1 LEU 12 22.974 4.990 4.990 119 HG LEU 12 HG LEU 12 20.213 6.035 6.035 120 1HD1 LEU 12 HD13 LEU 12 20.956 4.398 4.398 121 2HD1 LEU 12 HD12 LEU 12 21.409 5.929 5.929 122 3HD1 LEU 12 HD11 LEU 12 19.742 5.655 5.655 123 1HD2 LEU 12 HD23 LEU 12 22.692 7.482 7.482 124 2HD2 LEU 12 HD22 LEU 12 21.233 8.083 8.083 125 3HD2 LEU 12 HD21 LEU 12 21.269 7.879 7.879 126 H ILE 13 HN ILE 13 22.128 3.938 3.938 127 HA ILE 13 HA ILE 13 24.945 3.474 3.474 128 HB ILE 13 HB ILE 13 24.415 1.040 1.040 129 1HG1 ILE 13 HG12 ILE 13 22.206 1.573 1.573 130 2HG1 ILE 13 HG11 ILE 13 21.819 2.047 2.047 131 1HG2 ILE 13 HG22 ILE 13 24.164 2.921 2.921 132 2HG2 ILE 13 HG21 ILE 13 24.413 1.182 1.182 133 3HG2 ILE 13 HG23 ILE 13 25.644 2.179 2.179 134 1HD1 ILE 13 HD13 ILE 13 23.216 -0.524 -0.524 135 2HD1 ILE 13 HD12 ILE 13 21.671 -0.533 -0.533 136 3HD1 ILE 13 HD11 ILE 13 21.736 -0.101 -0.101 137 H GLU 14 HN GLU 14 21.869 3.914 3.914 138 HA GLU 14 HA GLU 14 20.603 3.399 3.399 139 1HB GLU 14 HB2 GLU 14 23.177 4.143 4.143 140 2HB GLU 14 HB1 GLU 14 21.552 4.763 4.763 141 1HG GLU 14 HG2 GLU 14 21.996 5.499 5.499 142 2HG GLU 14 HG1 GLU 14 23.603 5.679 5.679 143 1H CYS 1 HT1 CYS 1 0.340 5.781 5.781 144 2H CYS 1 HT3 CYS 1 -0.654 5.046 5.046 145 3H CYS 1 HT2 CYS 1 0.064 4.106 4.106 146 HA CYS 1 HA CYS 1 1.407 3.677 3.677 147 1HB CYS 1 HB2 CYS 1 0.567 6.476 6.476 148 2HB CYS 1 HB1 CYS 1 2.170 6.052 6.052 149 H TYR 2 HN TYR 2 2.060 3.870 3.870 150 HA TYR 2 HA TYR 2 4.858 4.635 4.635 151 1HB TYR 2 HB2 TYR 2 4.772 6.567 6.567 152 2HB TYR 2 HB1 TYR 2 3.130 6.654 6.654 153 HD1 TYR 2 HD1 TYR 2 5.120 5.222 5.222 154 HD2 TYR 2 HD2 TYR 2 1.295 6.612 6.612 155 HE1 TYR 2 HE1 TYR 2 4.223 4.914 4.914 156 HE2 TYR 2 HE2 TYR 2 0.383 6.324 6.324 157 HH TYR 2 HH TYR 2 0.774 5.414 5.414 158 H LEU 3 HN LEU 3 2.047 3.691 3.691 159 HA LEU 3 HA LEU 3 3.053 2.496 2.496 160 1HB LEU 3 HB2 LEU 3 0.714 2.606 2.606 161 2HB LEU 3 HB1 LEU 3 1.195 1.003 1.003 162 HG LEU 3 HG LEU 3 1.821 1.260 1.260 163 1HD1 LEU 3 HD13 LEU 3 -0.622 2.598 2.598 164 2HD1 LEU 3 HD12 LEU 3 -0.951 1.268 1.268 165 3HD1 LEU 3 HD11 LEU 3 0.156 2.559 2.559 166 1HD2 LEU 3 HD22 LEU 3 0.383 -0.476 -0.476 167 2HD2 LEU 3 HD21 LEU 3 1.423 -0.911 -0.911 168 3HD2 LEU 3 HD23 LEU 3 -0.274 -0.519 -0.519 169 H ARG 4 HN ARG 4 3.077 1.285 1.285 170 HA ARG 4 HA ARG 4 4.188 -1.281 -1.281 171 1HB ARG 4 HB2 ARG 4 4.960 0.689 0.689 172 2HB ARG 4 HB1 ARG 4 4.782 -1.059 -1.059 173 1HG ARG 4 HG2 ARG 4 2.687 -0.654 -0.654 174 2HG ARG 4 HG1 ARG 4 2.294 -0.224 -0.224 175 1HD ARG 4 HD2 ARG 4 3.046 2.155 2.155 176 2HD ARG 4 HD1 ARG 4 3.132 1.658 1.658 177 HE ARG 4 HE ARG 4 0.693 2.152 2.152 178 1HH1 ARG 4 HH21 ARG 4 0.469 -0.785 -0.785 179 2HH1 ARG 4 HH22 ARG 4 -0.253 -0.856 -0.856 180 1HH2 ARG 4 HH11 ARG 4 0.501 2.436 2.436 181 2HH2 ARG 4 HH12 ARG 4 -0.234 0.968 0.968 182 H ARG 5 HN ARG 5 5.735 1.895 1.895 183 HA ARG 5 HA ARG 5 8.428 0.869 0.869 184 1HB ARG 5 HB2 ARG 5 9.033 3.019 3.019 185 2HB ARG 5 HB1 ARG 5 7.387 3.038 3.038 186 1HG ARG 5 HG2 ARG 5 6.859 3.790 3.790 187 2HG ARG 5 HG1 ARG 5 8.513 4.385 4.385 188 1HD ARG 5 HD2 ARG 5 6.661 4.974 4.974 189 2HD ARG 5 HD1 ARG 5 6.489 5.920 5.920 190 HE ARG 5 HE ARG 5 9.194 5.963 5.963 191 1HH1 ARG 5 HH11 ARG 5 7.687 8.441 8.441 192 2HH1 ARG 5 HH12 ARG 5 8.008 8.739 8.739 193 1HH2 ARG 5 HH21 ARG 5 9.113 5.517 5.517 194 2HH2 ARG 5 HH22 ARG 5 8.808 7.084 7.084 195 H PHE 6 HN PHE 6 5.808 1.652 1.652 196 HA PHE 6 HA PHE 6 7.533 2.237 2.237 197 1HB PHE 6 HB2 PHE 6 5.656 3.622 3.622 198 2HB PHE 6 HB1 PHE 6 4.622 2.295 2.295 199 HD1 PHE 6 HD1 PHE 6 6.894 3.139 3.139 200 HD2 PHE 6 HD2 PHE 6 3.147 1.494 1.494 201 HE1 PHE 6 HE1 PHE 6 6.261 2.772 2.772 202 HE2 PHE 6 HE2 PHE 6 2.512 1.121 1.121 203 HZ PHE 6 HZ PHE 6 4.065 1.757 1.757 204 H PHE 7 HN PHE 7 4.841 -0.031 -0.031 205 HA PHE 7 HA PHE 7 5.362 -1.721 -1.721 206 1HB PHE 7 HB2 PHE 7 3.536 -2.842 -2.842 207 2HB PHE 7 HB1 PHE 7 3.402 -1.409 -1.409 208 HD1 PHE 7 HD1 PHE 7 3.394 -1.636 -1.636 209 HD2 PHE 7 HD2 PHE 7 5.010 -4.790 -4.790 210 HE1 PHE 7 HE1 PHE 7 3.655 -3.069 -3.069 211 HE2 PHE 7 HE2 PHE 7 5.271 -6.214 -6.214 212 HZ PHE 7 HZ PHE 7 4.592 -5.354 -5.354 213 H LYS 8 HN LYS 8 6.759 -1.582 -1.582 214 HA LYS 8 HA LYS 8 7.888 -4.094 -4.094 215 1HB LYS 8 HB2 LYS 8 8.396 -1.354 -1.354 216 2HB LYS 8 HB1 LYS 8 9.868 -2.323 -2.323 217 1HG LYS 8 HG2 LYS 8 8.887 -3.971 -3.971 218 2HG LYS 8 HG1 LYS 8 7.314 -3.175 -3.175 219 1HD LYS 8 HD2 LYS 8 8.529 -2.618 -2.618 220 2HD LYS 8 HD1 LYS 8 8.229 -1.190 -1.190 221 1HE LYS 8 HE2 LYS 8 10.495 -1.116 -1.116 222 2HE LYS 8 HE1 LYS 8 10.826 -2.749 -2.749 223 1HZ LYS 8 HZ1 LYS 8 9.956 -0.497 -0.497 224 2HZ LYS 8 HZ3 LYS 8 11.583 -0.918 -0.918 225 3HZ LYS 8 HZ2 LYS 8 10.514 -2.022 -2.022 226 H ALA 9 HN ALA 9 9.361 -1.356 -1.356 227 HA ALA 9 HA ALA 9 11.635 -2.751 -2.751 228 1HB ALA 9 HB1 ALA 9 11.046 -0.244 -0.244 229 2HB ALA 9 HB3 ALA 9 10.172 -0.539 -0.539 230 3HB ALA 9 HB2 ALA 9 11.912 -0.820 -0.820 231 H LYS 10 HN LYS 10 8.338 -2.477 -2.477 232 HA LYS 10 HA LYS 10 8.745 -3.531 -3.531 233 1HB LYS 10 HB2 LYS 10 6.768 -2.471 -2.471 234 2HB LYS 10 HB1 LYS 10 6.297 -4.158 -4.158 235 1HG LYS 10 HG2 LYS 10 7.179 -3.225 -3.225 236 2HG LYS 10 HG1 LYS 10 5.871 -2.215 -2.215 237 1HD LYS 10 HD2 LYS 10 5.641 -5.176 -5.176 238 2HD LYS 10 HD1 LYS 10 5.330 -4.442 -4.442 239 1HE LYS 10 HE2 LYS 10 4.030 -2.940 -2.940 240 2HE LYS 10 HE1 LYS 10 3.492 -4.631 -4.631 241 1HZ LYS 10 HZ3 LYS 10 3.832 -3.229 -3.229 242 2HZ LYS 10 HZ2 LYS 10 2.451 -2.876 -2.876 243 3HZ LYS 10 HZ1 LYS 10 2.749 -4.469 -4.469 244 H LYS 11 HN LYS 11 7.316 -5.244 -5.244 245 HA LYS 11 HA LYS 11 7.331 -7.839 -7.839 246 1HB LYS 11 HB2 LYS 11 7.934 -6.605 -6.605 247 2HB LYS 11 HB1 LYS 11 7.875 -8.358 -8.358 248 1HG LYS 11 HG2 LYS 11 5.618 -6.749 -6.749 249 2HG LYS 11 HG1 LYS 11 5.688 -6.976 -6.976 250 1HD LYS 11 HD2 LYS 11 6.022 -9.475 -9.475 251 2HD LYS 11 HD1 LYS 11 5.498 -9.091 -9.091 252 1HE LYS 11 HE2 LYS 11 3.360 -8.267 -8.267 253 2HE LYS 11 HE1 LYS 11 3.891 -8.428 -8.428 254 1HZ LYS 11 HZ1 LYS 11 4.350 -10.822 -10.822 255 2HZ LYS 11 HZ3 LYS 11 3.503 -10.591 -10.591 256 3HZ LYS 11 HZ2 LYS 11 2.706 -10.395 -10.395 257 H LEU 12 HN LEU 12 10.116 -6.000 -6.000 258 HA LEU 12 HA LEU 12 11.994 -8.133 -8.133 259 1HB LEU 12 HB2 LEU 12 12.077 -5.140 -5.140 260 2HB LEU 12 HB1 LEU 12 13.576 -6.069 -6.069 261 HG LEU 12 HG LEU 12 11.530 -6.121 -6.121 262 1HD1 LEU 12 HD12 LEU 12 13.203 -4.157 -4.157 263 2HD1 LEU 12 HD11 LEU 12 14.438 -5.338 -5.338 264 3HD1 LEU 12 HD13 LEU 12 13.132 -4.968 -4.968 265 1HD2 LEU 12 HD22 LEU 12 13.871 -7.856 -7.856 266 2HD2 LEU 12 HD21 LEU 12 12.336 -8.295 -8.295 267 3HD2 LEU 12 HD23 LEU 12 13.582 -7.489 -7.489 268 H ILE 13 HN ILE 13 10.502 -6.670 -6.670 269 HA ILE 13 HA ILE 13 12.428 -8.029 -8.029 270 HB ILE 13 HB ILE 13 12.277 -5.802 -5.802 271 1HG1 ILE 13 HG12 ILE 13 12.455 -4.161 -4.161 272 2HG1 ILE 13 HG11 ILE 13 10.941 -5.049 -5.049 273 1HG2 ILE 13 HG23 ILE 13 14.344 -6.758 -6.758 274 2HG2 ILE 13 HG22 ILE 13 13.970 -6.039 -6.039 275 3HG2 ILE 13 HG21 ILE 13 14.324 -5.004 -5.004 276 1HD1 ILE 13 HD11 ILE 13 11.855 -3.473 -3.473 277 2HD1 ILE 13 HD13 ILE 13 10.643 -2.942 -2.942 278 3HD1 ILE 13 HD12 ILE 13 10.329 -4.345 -4.345 279 H GLU 14 HN GLU 14 9.922 -8.890 -8.890 280 HA GLU 14 HA GLU 14 8.476 -8.345 -8.345 281 1HB GLU 14 HB2 GLU 14 7.525 -8.615 -8.615 282 2HB GLU 14 HB1 GLU 14 6.434 -8.485 -8.485 283 1HG GLU 14 HG2 GLU 14 8.608 -6.460 -6.460 284 2HG GLU 14 HG1 GLU 14 7.189 -6.322 -6.322 285 1H CYS 1 HT1 CYS 1 23.395 -2.068 -2.068 286 2H CYS 1 HT3 CYS 1 24.216 -3.545 -3.545 287 3H CYS 1 HT2 CYS 1 25.025 -2.089 -2.089 288 HA CYS 1 HA CYS 1 23.745 -1.713 -1.713 289 1HB CYS 1 HB2 CYS 1 24.929 -4.432 -4.432 290 2HB CYS 1 HB1 CYS 1 24.257 -4.071 -4.071 291 H TYR 2 HN TYR 2 21.603 -1.649 -1.649 292 HA TYR 2 HA TYR 2 19.646 -3.172 -3.172 293 1HB TYR 2 HB2 TYR 2 19.077 -4.795 -4.795 294 2HB TYR 2 HB1 TYR 2 20.769 -4.602 -4.602 295 HD1 TYR 2 HD1 TYR 2 17.352 -3.277 -3.277 296 HD2 TYR 2 HD2 TYR 2 21.334 -3.852 -3.852 297 HE1 TYR 2 HE1 TYR 2 16.644 -2.401 -2.401 298 HE2 TYR 2 HE2 TYR 2 20.635 -2.993 -2.993 299 HH TYR 2 HH TYR 2 18.624 -2.685 -2.685 300 H LEU 3 HN LEU 3 20.490 -1.356 -1.356 301 HA LEU 3 HA LEU 3 18.152 -0.124 -0.124 302 1HB LEU 3 HB2 LEU 3 20.669 0.090 0.090 303 2HB LEU 3 HB1 LEU 3 20.632 1.438 1.438 304 HG LEU 3 HG LEU 3 18.325 1.502 1.502 305 1HD1 LEU 3 HD12 LEU 3 20.477 0.415 0.415 306 2HD1 LEU 3 HD11 LEU 3 20.519 2.125 2.125 307 3HD1 LEU 3 HD13 LEU 3 19.063 1.174 1.174 308 1HD2 LEU 3 HD23 LEU 3 20.104 3.230 3.230 309 2HD2 LEU 3 HD22 LEU 3 18.739 3.713 3.713 310 3HD2 LEU 3 HD21 LEU 3 20.347 3.549 3.549 311 H ARG 4 HN ARG 4 20.319 0.845 0.845 312 HA ARG 4 HA ARG 4 19.008 3.104 3.104 313 1HB ARG 4 HB2 ARG 4 19.992 0.862 0.862 314 2HB ARG 4 HB1 ARG 4 20.137 2.600 2.600 315 1HG ARG 4 HG2 ARG 4 22.227 2.410 2.410 316 2HG ARG 4 HG1 ARG 4 21.460 2.192 2.192 317 1HD ARG 4 HD2 ARG 4 21.445 -0.251 -0.251 318 2HD ARG 4 HD1 ARG 4 22.119 -0.065 -0.065 319 HE ARG 4 HE ARG 4 23.653 0.049 0.049 320 1HH1 ARG 4 HH21 ARG 4 24.259 0.001 0.001 321 2HH1 ARG 4 HH22 ARG 4 25.404 1.299 1.299 322 1HH2 ARG 4 HH11 ARG 4 24.677 2.439 2.439 323 2HH2 ARG 4 HH12 ARG 4 25.646 2.676 2.676 324 H ARG 5 HN ARG 5 18.209 -0.310 -0.310 325 HA ARG 5 HA ARG 5 15.874 0.194 0.194 326 1HB ARG 5 HB2 ARG 5 17.080 -2.198 -2.198 327 2HB ARG 5 HB1 ARG 5 15.635 -2.303 -2.303 328 1HG ARG 5 HG2 ARG 5 16.922 -2.372 -2.372 329 2HG ARG 5 HG1 ARG 5 17.568 -0.781 -0.781 330 1HD ARG 5 HD2 ARG 5 19.498 -2.152 -2.152 331 2HD ARG 5 HD1 ARG 5 19.082 -2.100 -2.100 332 HE ARG 5 HE ARG 5 17.988 -4.295 -4.295 333 1HH1 ARG 5 HH11 ARG 5 20.863 -4.594 -4.594 334 2HH1 ARG 5 HH12 ARG 5 20.625 -5.492 -5.492 335 1HH2 ARG 5 HH21 ARG 5 17.230 -4.830 -4.830 336 2HH2 ARG 5 HH22 ARG 5 18.571 -5.627 -5.627 337 H PHE 6 HN PHE 6 16.541 0.002 0.002 338 HA PHE 6 HA PHE 6 13.723 -0.544 -0.544 339 1HB PHE 6 HB2 PHE 6 15.060 -1.736 -1.736 340 2HB PHE 6 HB1 PHE 6 16.369 -0.575 -0.575 341 HD1 PHE 6 HD1 PHE 6 13.438 -1.593 -1.593 342 HD2 PHE 6 HD2 PHE 6 16.301 1.545 1.545 343 HE1 PHE 6 HE1 PHE 6 12.795 -0.618 -0.618 344 HE2 PHE 6 HE2 PHE 6 15.658 2.525 2.525 345 HZ PHE 6 HZ PHE 6 13.897 1.451 1.451 346 H PHE 7 HN PHE 7 16.179 1.995 1.995 347 HA PHE 7 HA PHE 7 14.289 3.768 3.768 348 1HB PHE 7 HB2 PHE 7 16.166 5.013 5.013 349 2HB PHE 7 HB1 PHE 7 16.986 3.550 3.550 350 HD1 PHE 7 HD1 PHE 7 18.528 3.695 3.695 351 HD2 PHE 7 HD2 PHE 7 15.459 6.680 6.680 352 HE1 PHE 7 HE1 PHE 7 19.553 4.959 4.959 353 HE2 PHE 7 HE2 PHE 7 16.482 7.943 7.943 354 HZ PHE 7 HZ PHE 7 18.530 7.082 7.082 355 H LYS 8 HN LYS 8 15.409 3.291 3.291 356 HA LYS 8 HA LYS 8 14.545 5.543 5.543 357 1HB LYS 8 HB2 LYS 8 14.788 2.687 2.687 358 2HB LYS 8 HB1 LYS 8 13.625 3.460 3.460 359 1HG LYS 8 HG2 LYS 8 16.127 3.357 3.357 360 2HG LYS 8 HG1 LYS 8 15.245 4.863 4.863 361 1HD LYS 8 HD2 LYS 8 16.276 5.877 5.877 362 2HD LYS 8 HD1 LYS 8 16.830 4.328 4.328 363 1HE LYS 8 HE2 LYS 8 18.797 5.174 5.174 364 2HE LYS 8 HE1 LYS 8 18.135 4.199 4.199 365 1HZ LYS 8 HZ3 LYS 8 17.377 7.032 7.032 366 2HZ LYS 8 HZ2 LYS 8 18.717 6.592 6.592 367 3HZ LYS 8 HZ1 LYS 8 17.160 6.073 6.073 368 H ALA 9 HN ALA 9 12.463 2.712 2.712 369 HA ALA 9 HA ALA 9 10.008 3.850 3.850 370 1HB ALA 9 HB2 ALA 9 10.949 1.456 1.456 371 2HB ALA 9 HB1 ALA 9 10.006 1.999 1.999 372 3HB ALA 9 HB3 ALA 9 9.234 1.818 1.818 373 H LYS 10 HN LYS 10 11.671 3.956 3.956 374 HA LYS 10 HA LYS 10 9.593 5.057 5.057 375 1HB LYS 10 HB2 LYS 10 12.109 4.182 4.182 376 2HB LYS 10 HB1 LYS 10 12.363 5.917 5.917 377 1HG LYS 10 HG2 LYS 10 10.027 5.092 5.092 378 2HG LYS 10 HG1 LYS 10 11.510 4.319 4.319 379 1HD LYS 10 HD2 LYS 10 11.600 7.226 7.226 380 2HD LYS 10 HD1 LYS 10 10.805 6.735 6.735 381 1HE LYS 10 HE2 LYS 10 13.231 5.236 5.236 382 2HE LYS 10 HE1 LYS 10 13.615 6.948 6.948 383 1HZ LYS 10 HZ2 LYS 10 11.824 6.027 6.027 384 2HZ LYS 10 HZ1 LYS 10 13.496 6.232 6.232 385 3HZ LYS 10 HZ3 LYS 10 12.528 7.561 7.561 386 H LYS 11 HN LYS 11 12.369 6.835 6.835 387 HA LYS 11 HA LYS 11 11.518 9.433 9.433 388 1HB LYS 11 HB2 LYS 11 13.381 8.001 8.001 389 2HB LYS 11 HB1 LYS 11 12.625 9.236 9.236 390 1HG LYS 11 HG2 LYS 11 13.860 9.748 9.748 391 2HG LYS 11 HG1 LYS 11 14.644 10.090 10.090 392 1HD LYS 11 HD2 LYS 11 11.931 11.224 11.224 393 2HD LYS 11 HD1 LYS 11 13.429 12.052 12.052 394 1HE LYS 11 HE2 LYS 11 13.868 11.426 11.426 395 2HE LYS 11 HE1 LYS 11 12.133 11.803 11.803 396 1HZ LYS 11 HZ2 LYS 11 12.867 13.727 13.727 397 2HZ LYS 11 HZ1 LYS 11 14.401 13.488 13.488 398 3HZ LYS 11 HZ3 LYS 11 13.083 13.891 13.891 399 H LEU 12 HN LEU 12 10.686 7.446 7.446 400 HA LEU 12 HA LEU 12 9.067 9.452 9.452 401 1HB LEU 12 HB2 LEU 12 8.114 7.500 7.500 402 2HB LEU 12 HB1 LEU 12 9.840 7.803 7.803 403 HG LEU 12 HG LEU 12 9.772 6.055 6.055 404 1HD1 LEU 12 HD11 LEU 12 7.196 5.945 5.945 405 2HD1 LEU 12 HD13 LEU 12 7.879 4.770 4.770 406 3HD1 LEU 12 HD12 LEU 12 8.058 4.535 4.535 407 1HD2 LEU 12 HD23 LEU 12 10.771 6.210 6.210 408 2HD2 LEU 12 HD22 LEU 12 11.029 4.844 4.844 409 3HD2 LEU 12 HD21 LEU 12 9.734 4.790 4.790 410 H ILE 13 HN ILE 13 8.421 7.660 7.660 411 HA ILE 13 HA ILE 13 5.554 8.411 8.411 412 HB ILE 13 HB ILE 13 4.962 6.269 6.269 413 1HG1 ILE 13 HG12 ILE 13 7.138 4.678 4.678 414 2HG1 ILE 13 HG11 ILE 13 7.861 6.112 6.112 415 1HG2 ILE 13 HG23 ILE 13 5.639 6.723 6.723 416 2HG2 ILE 13 HG22 ILE 13 6.283 5.132 5.132 417 3HG2 ILE 13 HG21 ILE 13 4.569 5.478 5.478 418 1HD1 ILE 13 HD11 ILE 13 5.513 4.702 4.702 419 2HD1 ILE 13 HD13 ILE 13 7.178 4.246 4.246 420 3HD1 ILE 13 HD12 ILE 13 6.607 5.871 5.871 421 H GLU 14 HN GLU 14 7.500 9.859 9.859 422 HA GLU 14 HA GLU 14 6.537 9.631 9.631 423 1HB GLU 14 HB2 GLU 14 9.299 10.010 10.010 424 2HB GLU 14 HB1 GLU 14 8.928 10.191 10.191 425 1HG GLU 14 HG2 GLU 14 7.974 7.735 7.735 426 2HG GLU 14 HG1 GLU 14 9.699 7.845 7.845 427 1H CYS 1 HT2 CYS 1 27.807 -2.982 -2.982 428 2H CYS 1 HT1 CYS 1 28.141 -4.100 -4.100 429 3H CYS 1 HT3 CYS 1 27.022 -4.489 -4.489 430 HA CYS 1 HA CYS 1 25.599 -3.901 -3.901 431 1HB CYS 1 HB2 CYS 1 28.019 -2.318 -2.318 432 2HB CYS 1 HB1 CYS 1 26.477 -1.657 -1.657 433 H TYR 2 HN TYR 2 25.741 -3.131 -3.131 434 HA TYR 2 HA TYR 2 24.008 -0.742 -0.742 435 1HB TYR 2 HB2 TYR 2 25.417 0.591 0.591 436 2HB TYR 2 HB1 TYR 2 26.656 -0.403 -0.403 437 HD1 TYR 2 HD1 TYR 2 28.046 -1.799 -1.799 438 HD2 TYR 2 HD2 TYR 2 24.448 -0.203 -0.203 439 HE1 TYR 2 HE1 TYR 2 28.680 -2.721 -2.721 440 HE2 TYR 2 HE2 TYR 2 25.060 -1.115 -1.115 441 HH TYR 2 HH TYR 2 28.004 -1.968 -1.968 442 H LEU 3 HN LEU 3 25.499 -3.384 -3.384 443 HA LEU 3 HA LEU 3 24.032 -3.614 -3.614 444 1HB LEU 3 HB2 LEU 3 25.776 -5.100 -5.100 445 2HB LEU 3 HB1 LEU 3 24.301 -5.948 -5.948 446 HG LEU 3 HG LEU 3 24.240 -5.341 -5.341 447 1HD1 LEU 3 HD13 LEU 3 26.727 -6.676 -6.676 448 2HD1 LEU 3 HD12 LEU 3 26.133 -6.977 -6.977 449 3HD1 LEU 3 HD11 LEU 3 26.605 -5.346 -5.346 450 1HD2 LEU 3 HD21 LEU 3 23.281 -7.228 -7.228 451 2HD2 LEU 3 HD23 LEU 3 23.368 -7.459 -7.459 452 3HD2 LEU 3 HD22 LEU 3 24.634 -8.115 -8.115 453 H ARG 4 HN ARG 4 23.109 -4.632 -4.632 454 HA ARG 4 HA ARG 4 20.572 -5.717 -5.717 455 1HB ARG 4 HB2 ARG 4 21.245 -3.699 -3.699 456 2HB ARG 4 HB1 ARG 4 20.198 -5.112 -5.112 457 1HG ARG 4 HG2 ARG 4 22.006 -6.199 -6.199 458 2HG ARG 4 HG1 ARG 4 22.615 -6.191 -6.191 459 1HD ARG 4 HD2 ARG 4 23.611 -3.878 -3.878 460 2HD ARG 4 HD1 ARG 4 23.252 -4.223 -4.223 461 HE ARG 4 HE ARG 4 25.186 -5.705 -5.705 462 1HH1 ARG 4 HH11 ARG 4 23.072 -6.075 -6.075 463 2HH1 ARG 4 HH12 ARG 4 24.249 -6.804 -6.804 464 1HH2 ARG 4 HH21 ARG 4 26.878 -6.338 -6.338 465 2HH2 ARG 4 HH22 ARG 4 26.403 -6.954 -6.954 466 H ARG 5 HN ARG 5 21.623 -2.365 -2.365 467 HA ARG 5 HA ARG 5 18.922 -1.310 -1.310 468 1HB ARG 5 HB2 ARG 5 19.872 0.664 0.664 469 2HB ARG 5 HB1 ARG 5 21.139 -0.397 -0.397 470 1HG ARG 5 HG2 ARG 5 22.068 -0.119 -0.119 471 2HG ARG 5 HG1 ARG 5 21.138 1.377 1.377 472 1HD ARG 5 HD2 ARG 5 22.729 0.891 0.891 473 2HD ARG 5 HD1 ARG 5 23.709 1.101 1.101 474 HE ARG 5 HE ARG 5 21.880 3.103 3.103 475 1HH1 ARG 5 HH21 ARG 5 21.418 3.023 3.023 476 2HH1 ARG 5 HH22 ARG 5 22.586 4.163 4.163 477 1HH2 ARG 5 HH11 ARG 5 24.429 4.168 4.168 478 2HH2 ARG 5 HH12 ARG 5 24.294 4.812 4.812 479 H PHE 6 HN PHE 6 21.780 -2.161 -2.161 480 HA PHE 6 HA PHE 6 20.943 -0.710 -0.710 481 1HB PHE 6 HB2 PHE 6 23.185 -0.880 -0.880 482 2HB PHE 6 HB1 PHE 6 23.217 -2.173 -2.173 483 HD1 PHE 6 HD1 PHE 6 23.479 -1.301 -1.301 484 HD2 PHE 6 HD2 PHE 6 22.667 -4.528 -4.528 485 HE1 PHE 6 HE1 PHE 6 23.971 -2.918 -2.918 486 HE2 PHE 6 HE2 PHE 6 23.155 -6.150 -6.150 487 HZ PHE 6 HZ PHE 6 23.810 -5.358 -5.358 488 H PHE 7 HN PHE 7 21.015 -4.125 -4.125 489 HA PHE 7 HA PHE 7 19.865 -5.085 -5.085 490 1HB PHE 7 HB2 PHE 7 20.385 -7.118 -7.118 491 2HB PHE 7 HB1 PHE 7 21.305 -6.136 -6.136 492 HD1 PHE 7 HD1 PHE 7 20.872 -6.317 -6.317 493 HD2 PHE 7 HD2 PHE 7 17.876 -7.562 -7.562 494 HE1 PHE 7 HE1 PHE 7 19.478 -7.202 -7.202 495 HE2 PHE 7 HE2 PHE 7 16.487 -8.437 -8.437 496 HZ PHE 7 HZ PHE 7 17.289 -8.258 -8.258 497 H LYS 8 HN LYS 8 18.566 -3.982 -3.982 498 HA LYS 8 HA LYS 8 16.009 -5.091 -5.091 499 1HB LYS 8 HB2 LYS 8 16.380 -4.032 -4.032 500 2HB LYS 8 HB1 LYS 8 17.559 -2.968 -2.968 501 1HG LYS 8 HG2 LYS 8 15.789 -1.578 -1.578 502 2HG LYS 8 HG1 LYS 8 15.652 -1.648 -1.648 503 1HD LYS 8 HD2 LYS 8 13.441 -1.948 -1.948 504 2HD LYS 8 HD1 LYS 8 13.931 -3.413 -3.413 505 1HE LYS 8 HE2 LYS 8 14.531 -4.520 -4.520 506 2HE LYS 8 HE1 LYS 8 14.443 -3.006 -3.006 507 1HZ LYS 8 HZ3 LYS 8 12.053 -3.551 -3.551 508 2HZ LYS 8 HZ2 LYS 8 12.387 -4.759 -4.759 509 3HZ LYS 8 HZ1 LYS 8 12.231 -3.140 -3.140 510 H ALA 9 HN ALA 9 17.153 -1.976 -1.976 511 HA ALA 9 HA ALA 9 14.652 -1.282 -1.282 512 1HB ALA 9 HB1 ALA 9 16.772 0.109 0.109 513 2HB ALA 9 HB3 ALA 9 17.367 -0.373 -0.373 514 3HB ALA 9 HB2 ALA 9 15.879 0.566 0.566 515 H LYS 10 HN LYS 10 17.302 -3.335 -3.335 516 HA LYS 10 HA LYS 10 17.000 -3.392 -3.392 517 1HB LYS 10 HB2 LYS 10 18.763 -4.272 -4.272 518 2HB LYS 10 HB1 LYS 10 17.855 -5.754 -5.754 519 1HG LYS 10 HG2 LYS 10 19.432 -5.956 -5.956 520 2HG LYS 10 HG1 LYS 10 18.160 -5.096 -5.096 521 1HD LYS 10 HD2 LYS 10 19.299 -3.075 -3.075 522 2HD LYS 10 HD1 LYS 10 20.200 -3.502 -3.502 523 1HE LYS 10 HE2 LYS 10 21.629 -5.017 -5.017 524 2HE LYS 10 HE1 LYS 10 20.639 -4.820 -4.820 525 1HZ LYS 10 HZ1 LYS 10 21.203 -2.264 -2.264 526 2HZ LYS 10 HZ3 LYS 10 22.665 -3.096 -3.096 527 3HZ LYS 10 HZ2 LYS 10 21.921 -3.079 -3.079 528 H LYS 11 HN LYS 11 16.081 -5.946 -5.946 529 HA LYS 11 HA LYS 11 14.527 -7.562 -7.562 530 1HB LYS 11 HB2 LYS 11 14.668 -6.791 -6.791 531 2HB LYS 11 HB1 LYS 11 13.087 -7.419 -7.419 532 1HG LYS 11 HG2 LYS 11 15.652 -8.833 -8.833 533 2HG LYS 11 HG1 LYS 11 14.821 -9.146 -9.146 534 1HD LYS 11 HD2 LYS 11 12.753 -9.290 -9.290 535 2HD LYS 11 HD1 LYS 11 14.094 -9.965 -9.965 536 1HE LYS 11 HE2 LYS 11 14.569 -11.331 -11.331 537 2HE LYS 11 HE1 LYS 11 12.861 -10.984 -10.984 538 1HZ LYS 11 HZ1 LYS 11 12.639 -11.625 -11.625 539 2HZ LYS 11 HZ3 LYS 11 14.044 -12.519 -12.519 540 3HZ LYS 11 HZ2 LYS 11 12.625 -12.818 -12.818 541 H LEU 12 HN LEU 12 13.623 -4.425 -4.425 542 HA LEU 12 HA LEU 12 10.855 -4.449 -4.449 543 1HB LEU 12 HB2 LEU 12 13.008 -2.396 -2.396 544 2HB LEU 12 HB1 LEU 12 11.400 -1.869 -1.869 545 HG LEU 12 HG LEU 12 12.057 -3.511 -3.511 546 1HD1 LEU 12 HD13 LEU 12 12.559 -0.986 -0.986 547 2HD1 LEU 12 HD12 LEU 12 10.812 -0.762 -0.762 548 3HD1 LEU 12 HD11 LEU 12 11.522 -1.564 -1.564 549 1HD2 LEU 12 HD22 LEU 12 9.612 -3.179 -3.179 550 2HD2 LEU 12 HD21 LEU 12 9.912 -4.203 -4.203 551 3HD2 LEU 12 HD23 LEU 12 9.423 -2.524 -2.524 552 H ILE 13 HN ILE 13 13.535 -4.422 -4.422 553 HA ILE 13 HA ILE 13 11.721 -3.937 -3.937 554 HB ILE 13 HB ILE 13 13.585 -2.359 -2.359 555 1HG1 ILE 13 HG12 ILE 13 14.321 -1.124 -1.124 556 2HG1 ILE 13 HG11 ILE 13 14.411 -2.813 -2.813 557 1HG2 ILE 13 HG21 ILE 13 11.207 -1.799 -1.799 558 2HG2 ILE 13 HG23 ILE 13 12.000 -1.274 -1.274 559 3HG2 ILE 13 HG22 ILE 13 12.384 -0.488 -0.488 560 1HD1 ILE 13 HD13 ILE 13 15.735 -3.221 -3.221 561 2HD1 ILE 13 HD12 ILE 13 15.832 -1.468 -1.468 562 3HD1 ILE 13 HD11 ILE 13 16.558 -2.258 -2.258 563 H GLU 14 HN GLU 14 12.844 -6.320 -6.320 564 HA GLU 14 HA GLU 14 14.810 -6.772 -6.772 565 1HB GLU 14 HB2 GLU 14 14.673 -7.770 -7.770 566 2HB GLU 14 HB1 GLU 14 15.859 -8.344 -8.344 567 1HG GLU 14 HG2 GLU 14 15.554 -5.403 -5.403 568 2HG GLU 14 HG1 GLU 14 16.407 -6.315 -6.315 Start of MODEL 10 1 1H CYS 1 HT2 CYS 1 1.013 1.121 1.121 2 2H CYS 1 HT1 CYS 1 0.365 2.661 2.661 3 3H CYS 1 HT3 CYS 1 1.120 1.799 1.799 4 HA CYS 1 HA CYS 1 2.756 3.338 3.338 5 1HB CYS 1 HB2 CYS 1 3.147 3.760 3.760 6 2HB CYS 1 HB1 CYS 1 1.487 4.128 4.128 7 H TYR 2 HN TYR 2 3.796 1.562 1.562 8 HA TYR 2 HA TYR 2 5.019 -0.544 -0.544 9 1HB TYR 2 HB2 TYR 2 5.811 -1.290 -1.290 10 2HB TYR 2 HB1 TYR 2 4.324 -0.453 -0.453 11 HD1 TYR 2 HD1 TYR 2 4.375 1.454 1.454 12 HD2 TYR 2 HD2 TYR 2 7.998 0.003 0.003 13 HE1 TYR 2 HE1 TYR 2 5.684 3.070 3.070 14 HE2 TYR 2 HE2 TYR 2 9.306 1.612 1.612 15 HH TYR 2 HH TYR 2 9.138 2.917 2.917 16 H LEU 3 HN LEU 3 5.516 2.726 2.726 17 HA LEU 3 HA LEU 3 8.233 3.195 3.195 18 1HB LEU 3 HB2 LEU 3 5.818 4.583 4.583 19 2HB LEU 3 HB1 LEU 3 7.354 5.315 5.315 20 HG LEU 3 HG LEU 3 7.962 5.176 5.176 21 1HD1 LEU 3 HD11 LEU 3 6.317 3.332 3.332 22 2HD1 LEU 3 HD13 LEU 3 5.040 4.543 4.543 23 3HD1 LEU 3 HD12 LEU 3 6.287 4.662 4.662 24 1HD2 LEU 3 HD22 LEU 3 6.049 6.912 6.912 25 2HD2 LEU 3 HD21 LEU 3 7.273 7.322 7.322 26 3HD2 LEU 3 HD23 LEU 3 5.679 6.773 6.773 27 H ARG 4 HN ARG 4 6.173 2.873 2.873 28 HA ARG 4 HA ARG 4 8.230 3.306 3.306 29 1HB ARG 4 HB2 ARG 4 6.700 1.688 1.688 30 2HB ARG 4 HB1 ARG 4 6.062 3.245 3.245 31 1HG ARG 4 HG2 ARG 4 4.524 1.253 1.253 32 2HG ARG 4 HG1 ARG 4 4.801 2.254 2.254 33 1HD ARG 4 HD2 ARG 4 6.109 0.640 0.640 34 2HD ARG 4 HD1 ARG 4 6.598 -0.109 -0.109 35 HE ARG 4 HE ARG 4 4.269 -0.812 -0.812 36 1HH1 ARG 4 HH21 ARG 4 5.815 -0.888 -0.888 37 2HH1 ARG 4 HH22 ARG 4 4.490 -1.632 -1.632 38 1HH2 ARG 4 HH11 ARG 4 2.354 -1.487 -1.487 39 2HH2 ARG 4 HH12 ARG 4 2.530 -1.966 -1.966 40 H ARG 5 HN ARG 5 7.745 0.775 0.775 41 HA ARG 5 HA ARG 5 9.458 -1.107 -1.107 42 1HB ARG 5 HB2 ARG 5 8.411 -2.728 -2.728 43 2HB ARG 5 HB1 ARG 5 7.241 -1.451 -1.451 44 1HG ARG 5 HG2 ARG 5 8.849 -0.865 -0.865 45 2HG ARG 5 HG1 ARG 5 9.428 -2.514 -2.514 46 1HD ARG 5 HD2 ARG 5 6.467 -1.984 -1.984 47 2HD ARG 5 HD1 ARG 5 7.444 -2.136 -2.136 48 HE ARG 5 HE ARG 5 7.759 -4.233 -4.233 49 1HH1 ARG 5 HH11 ARG 5 8.710 -4.317 -4.317 50 2HH1 ARG 5 HH12 ARG 5 7.558 -5.414 -5.414 51 1HH2 ARG 5 HH21 ARG 5 5.345 -5.161 -5.161 52 2HH2 ARG 5 HH22 ARG 5 5.651 -5.892 -5.892 53 H PHE 6 HN PHE 6 9.600 1.141 1.141 54 HA PHE 6 HA PHE 6 12.191 0.065 0.065 55 1HB PHE 6 HB2 PHE 6 10.999 0.603 0.603 56 2HB PHE 6 HB1 PHE 6 9.991 1.739 1.739 57 HD1 PHE 6 HD1 PHE 6 13.140 1.266 1.266 58 HD2 PHE 6 HD2 PHE 6 10.577 4.057 4.057 59 HE1 PHE 6 HE1 PHE 6 14.415 3.133 3.133 60 HE2 PHE 6 HE2 PHE 6 11.850 5.929 5.929 61 HZ PHE 6 HZ PHE 6 13.782 5.482 5.482 62 H PHE 7 HN PHE 7 10.822 3.169 3.169 63 HA PHE 7 HA PHE 7 13.367 4.453 4.453 64 1HB PHE 7 HB2 PHE 7 12.059 6.251 6.251 65 2HB PHE 7 HB1 PHE 7 10.733 5.173 5.173 66 HD1 PHE 7 HD1 PHE 7 12.878 6.092 6.092 67 HD2 PHE 7 HD2 PHE 7 9.013 4.839 4.839 68 HE1 PHE 7 HE1 PHE 7 11.981 6.302 6.302 69 HE2 PHE 7 HE2 PHE 7 8.116 5.048 5.048 70 HZ PHE 7 HZ PHE 7 9.600 5.779 5.779 71 H LYS 8 HN LYS 8 11.570 2.342 2.342 72 HA LYS 8 HA LYS 8 12.694 2.918 2.918 73 1HB LYS 8 HB2 LYS 8 11.314 0.805 0.805 74 2HB LYS 8 HB1 LYS 8 12.557 0.124 0.124 75 1HG LYS 8 HG2 LYS 8 11.690 1.677 1.677 76 2HG LYS 8 HG1 LYS 8 10.311 1.995 1.995 77 1HD LYS 8 HD2 LYS 8 10.578 -0.797 -0.797 78 2HD LYS 8 HD1 LYS 8 10.833 -0.311 -0.311 79 1HE LYS 8 HE2 LYS 8 8.716 1.220 1.220 80 2HE LYS 8 HE1 LYS 8 8.391 0.034 0.034 81 1HZ LYS 8 HZ3 LYS 8 9.242 -0.932 -0.932 82 2HZ LYS 8 HZ2 LYS 8 7.631 -0.425 -0.425 83 3HZ LYS 8 HZ1 LYS 8 8.246 -1.682 -1.682 84 H ALA 9 HN ALA 9 13.918 0.524 0.524 85 HA ALA 9 HA ALA 9 16.364 -0.015 -0.015 86 1HB ALA 9 HB2 ALA 9 14.971 -0.759 -0.759 87 2HB ALA 9 HB1 ALA 9 16.541 -0.175 -0.175 88 3HB ALA 9 HB3 ALA 9 16.452 -1.490 -1.490 89 H LYS 10 HN LYS 10 15.396 2.512 2.512 90 HA LYS 10 HA LYS 10 17.986 3.511 3.511 91 1HB LYS 10 HB2 LYS 10 15.433 3.801 3.801 92 2HB LYS 10 HB1 LYS 10 15.669 5.286 5.286 93 1HG LYS 10 HG2 LYS 10 17.980 4.701 4.701 94 2HG LYS 10 HG1 LYS 10 16.511 4.800 4.800 95 1HD LYS 10 HD2 LYS 10 16.998 6.853 6.853 96 2HD LYS 10 HD1 LYS 10 17.856 6.989 6.989 97 1HE LYS 10 HE2 LYS 10 15.855 7.235 7.235 98 2HE LYS 10 HE1 LYS 10 14.864 6.561 6.561 99 1HZ LYS 10 HZ2 LYS 10 15.739 8.481 8.481 100 2HZ LYS 10 HZ1 LYS 10 16.250 9.176 9.176 101 3HZ LYS 10 HZ3 LYS 10 14.602 8.874 8.874 102 H LYS 11 HN LYS 11 15.481 5.086 5.086 103 HA LYS 11 HA LYS 11 17.014 7.037 7.037 104 1HB LYS 11 HB2 LYS 11 14.643 5.385 5.385 105 2HB LYS 11 HB1 LYS 11 15.378 6.293 6.293 106 1HG LYS 11 HG2 LYS 11 14.496 7.467 7.467 107 2HG LYS 11 HG1 LYS 11 13.624 7.622 7.622 108 1HD LYS 11 HD2 LYS 11 16.399 8.378 8.378 109 2HD LYS 11 HD1 LYS 11 15.655 9.314 9.314 110 1HE LYS 11 HE2 LYS 11 13.842 9.060 9.060 111 2HE LYS 11 HE1 LYS 11 15.380 9.809 9.809 112 1HZ LYS 11 HZ3 LYS 11 14.151 10.597 10.597 113 2HZ LYS 11 HZ2 LYS 11 13.511 11.239 11.239 114 3HZ LYS 11 HZ1 LYS 11 15.143 11.498 11.498 115 H LEU 12 HN LEU 12 16.936 3.585 3.585 116 HA LEU 12 HA LEU 12 18.352 3.661 3.661 117 1HB LEU 12 HB2 LEU 12 17.886 1.621 1.621 118 2HB LEU 12 HB1 LEU 12 18.816 1.227 1.227 119 HG LEU 12 HG LEU 12 16.024 2.397 2.397 120 1HD1 LEU 12 HD13 LEU 12 16.608 -0.094 -0.094 121 2HD1 LEU 12 HD12 LEU 12 16.500 -0.409 -0.409 122 3HD1 LEU 12 HD11 LEU 12 15.129 0.300 0.300 123 1HD2 LEU 12 HD23 LEU 12 18.087 1.688 1.688 124 2HD2 LEU 12 HD22 LEU 12 16.703 2.772 2.772 125 3HD2 LEU 12 HD21 LEU 12 16.488 1.034 1.034 126 H ILE 13 HN ILE 13 19.417 4.356 4.356 127 HA ILE 13 HA ILE 13 22.226 4.306 4.306 128 HB ILE 13 HB ILE 13 22.733 3.167 3.167 129 1HG1 ILE 13 HG12 ILE 13 20.445 1.535 1.535 130 2HG1 ILE 13 HG11 ILE 13 19.850 3.190 3.190 131 1HG2 ILE 13 HG22 ILE 13 21.483 1.727 1.727 132 2HG2 ILE 13 HG21 ILE 13 22.309 0.898 0.898 133 3HG2 ILE 13 HG23 ILE 13 23.199 2.018 2.018 134 1HD1 ILE 13 HD12 ILE 13 21.362 3.727 3.727 135 2HD1 ILE 13 HD11 ILE 13 21.871 2.040 2.040 136 3HD1 ILE 13 HD13 ILE 13 20.199 2.466 2.466 137 H GLU 14 HN GLU 14 20.683 6.519 6.519 138 HA GLU 14 HA GLU 14 21.873 7.674 7.674 139 1HB GLU 14 HB2 GLU 14 19.123 7.902 7.902 140 2HB GLU 14 HB1 GLU 14 19.668 8.867 8.867 141 1HG GLU 14 HG2 GLU 14 20.033 5.910 5.910 142 2HG GLU 14 HG1 GLU 14 18.409 6.537 6.537 143 1H CYS 1 HT3 CYS 1 0.872 4.844 4.844 144 2H CYS 1 HT2 CYS 1 -0.179 3.841 3.841 145 3H CYS 1 HT1 CYS 1 0.541 3.273 3.273 146 HA CYS 1 HA CYS 1 1.750 2.283 2.283 147 1HB CYS 1 HB2 CYS 1 1.484 5.109 5.109 148 2HB CYS 1 HB1 CYS 1 2.724 4.036 4.036 149 H TYR 2 HN TYR 2 2.190 4.084 4.084 150 HA TYR 2 HA TYR 2 5.168 4.190 4.190 151 1HB TYR 2 HB2 TYR 2 5.133 6.236 6.236 152 2HB TYR 2 HB1 TYR 2 3.538 6.321 6.321 153 HD1 TYR 2 HD1 TYR 2 5.356 5.363 5.363 154 HD2 TYR 2 HD2 TYR 2 1.545 6.199 6.199 155 HE1 TYR 2 HE1 TYR 2 4.318 5.283 5.283 156 HE2 TYR 2 HE2 TYR 2 0.488 6.144 6.144 157 HH TYR 2 HH TYR 2 2.075 4.901 4.901 158 H LEU 3 HN LEU 3 2.354 3.495 3.495 159 HA LEU 3 HA LEU 3 3.306 2.607 2.607 160 1HB LEU 3 HB2 LEU 3 0.994 2.591 2.591 161 2HB LEU 3 HB1 LEU 3 1.455 0.916 0.916 162 HG LEU 3 HG LEU 3 2.019 1.560 1.560 163 1HD1 LEU 3 HD12 LEU 3 0.293 3.336 3.336 164 2HD1 LEU 3 HD11 LEU 3 -0.861 2.062 2.062 165 3HD1 LEU 3 HD13 LEU 3 -0.162 2.144 2.144 166 1HD2 LEU 3 HD22 LEU 3 1.152 -0.561 -0.561 167 2HD2 LEU 3 HD21 LEU 3 1.145 -0.525 -0.525 168 3HD2 LEU 3 HD23 LEU 3 -0.321 -0.124 -0.124 169 H ARG 4 HN ARG 4 3.133 0.758 0.758 170 HA ARG 4 HA ARG 4 4.264 -1.677 -1.677 171 1HB ARG 4 HB2 ARG 4 5.042 -0.003 -0.003 172 2HB ARG 4 HB1 ARG 4 4.950 -1.762 -1.762 173 1HG ARG 4 HG2 ARG 4 2.853 -1.534 -1.534 174 2HG ARG 4 HG1 ARG 4 2.420 -0.975 -0.975 175 1HD ARG 4 HD2 ARG 4 3.185 1.385 1.385 176 2HD ARG 4 HD1 ARG 4 3.017 0.673 0.673 177 HE ARG 4 HE ARG 4 0.820 1.428 1.428 178 1HH1 ARG 4 HH21 ARG 4 0.520 -1.480 -1.480 179 2HH1 ARG 4 HH22 ARG 4 -0.401 -1.964 -1.964 180 1HH2 ARG 4 HH11 ARG 4 0.258 0.937 0.937 181 2HH2 ARG 4 HH12 ARG 4 -0.552 -0.594 -0.594 182 H ARG 5 HN ARG 5 5.776 1.462 1.462 183 HA ARG 5 HA ARG 5 8.492 0.394 0.394 184 1HB ARG 5 HB2 ARG 5 9.149 2.401 2.401 185 2HB ARG 5 HB1 ARG 5 7.480 2.459 2.459 186 1HG ARG 5 HG2 ARG 5 7.068 3.549 3.549 187 2HG ARG 5 HG1 ARG 5 8.782 3.935 3.935 188 1HD ARG 5 HD2 ARG 5 7.194 4.506 4.506 189 2HD ARG 5 HD1 ARG 5 6.837 5.532 5.532 190 HE ARG 5 HE ARG 5 9.621 5.365 5.365 191 1HH1 ARG 5 HH11 ARG 5 7.069 6.393 6.393 192 2HH1 ARG 5 HH12 ARG 5 8.048 7.558 7.558 193 1HH2 ARG 5 HH21 ARG 5 10.909 6.857 6.857 194 2HH2 ARG 5 HH22 ARG 5 10.218 7.819 7.819 195 H PHE 6 HN PHE 6 5.916 1.869 1.869 196 HA PHE 6 HA PHE 6 7.680 2.501 2.501 197 1HB PHE 6 HB2 PHE 6 6.078 4.112 4.112 198 2HB PHE 6 HB1 PHE 6 4.926 3.020 3.020 199 HD1 PHE 6 HD1 PHE 6 3.409 1.714 1.714 200 HD2 PHE 6 HD2 PHE 6 6.376 4.161 4.161 201 HE1 PHE 6 HE1 PHE 6 2.252 1.443 1.443 202 HE2 PHE 6 HE2 PHE 6 5.227 3.893 3.893 203 HZ PHE 6 HZ PHE 6 3.156 2.529 2.529 204 H PHE 7 HN PHE 7 4.998 0.229 0.229 205 HA PHE 7 HA PHE 7 5.099 -0.990 -0.990 206 1HB PHE 7 HB2 PHE 7 3.253 -2.081 -2.081 207 2HB PHE 7 HB1 PHE 7 3.367 -0.896 -0.896 208 HD1 PHE 7 HD1 PHE 7 3.491 -1.636 -1.636 209 HD2 PHE 7 HD2 PHE 7 4.669 -4.283 -4.283 210 HE1 PHE 7 HE1 PHE 7 3.788 -3.478 -3.478 211 HE2 PHE 7 HE2 PHE 7 4.970 -6.120 -6.120 212 HZ PHE 7 HZ PHE 7 4.528 -5.717 -5.717 213 H LYS 8 HN LYS 8 6.716 -1.643 -1.643 214 HA LYS 8 HA LYS 8 7.685 -4.233 -4.233 215 1HB LYS 8 HB2 LYS 8 8.160 -1.997 -1.997 216 2HB LYS 8 HB1 LYS 8 9.690 -2.761 -2.761 217 1HG LYS 8 HG2 LYS 8 8.606 -4.984 -4.984 218 2HG LYS 8 HG1 LYS 8 7.271 -4.058 -4.058 219 1HD LYS 8 HD2 LYS 8 9.591 -2.872 -2.872 220 2HD LYS 8 HD1 LYS 8 9.884 -4.611 -4.611 221 1HE LYS 8 HE2 LYS 8 7.315 -4.546 -4.546 222 2HE LYS 8 HE1 LYS 8 7.885 -2.971 -2.971 223 1HZ LYS 8 HZ1 LYS 8 9.868 -4.105 -4.105 224 2HZ LYS 8 HZ3 LYS 8 9.207 -5.599 -5.599 225 3HZ LYS 8 HZ2 LYS 8 8.437 -4.658 -4.658 226 H ALA 9 HN ALA 9 9.370 -1.148 -1.148 227 HA ALA 9 HA ALA 9 11.541 -2.334 -2.334 228 1HB ALA 9 HB3 ALA 9 10.704 0.187 0.187 229 2HB ALA 9 HB2 ALA 9 10.835 0.361 0.361 230 3HB ALA 9 HB1 ALA 9 12.227 -0.175 -0.175 231 H LYS 10 HN LYS 10 8.265 -1.619 -1.619 232 HA LYS 10 HA LYS 10 8.563 -1.367 -1.367 233 1HB LYS 10 HB2 LYS 10 6.627 -1.104 -1.104 234 2HB LYS 10 HB1 LYS 10 6.175 -2.618 -2.618 235 1HG LYS 10 HG2 LYS 10 5.199 -1.375 -1.375 236 2HG LYS 10 HG1 LYS 10 6.839 -1.000 -1.000 237 1HD LYS 10 HD2 LYS 10 6.815 0.893 0.893 238 2HD LYS 10 HD1 LYS 10 5.078 0.613 0.613 239 1HE LYS 10 HE2 LYS 10 5.417 2.368 2.368 240 2HE LYS 10 HE1 LYS 10 4.948 0.900 0.900 241 1HZ LYS 10 HZ3 LYS 10 7.778 1.538 1.538 242 2HZ LYS 10 HZ2 LYS 10 7.013 2.097 2.097 243 3HZ LYS 10 HZ1 LYS 10 7.164 0.429 0.429 244 H LYS 11 HN LYS 11 7.190 -4.120 -4.120 245 HA LYS 11 HA LYS 11 7.090 -6.120 -6.120 246 1HB LYS 11 HB2 LYS 11 7.863 -5.925 -5.925 247 2HB LYS 11 HB1 LYS 11 8.258 -7.452 -7.452 248 1HG LYS 11 HG2 LYS 11 5.519 -6.168 -6.168 249 2HG LYS 11 HG1 LYS 11 5.958 -7.376 -7.376 250 1HD LYS 11 HD2 LYS 11 6.828 -8.586 -8.586 251 2HD LYS 11 HD1 LYS 11 5.414 -7.712 -7.712 252 1HE LYS 11 HE2 LYS 11 4.650 -9.887 -9.887 253 2HE LYS 11 HE1 LYS 11 4.124 -8.707 -8.707 254 1HZ LYS 11 HZ3 LYS 11 6.818 -9.695 -9.695 255 2HZ LYS 11 HZ2 LYS 11 5.616 -10.880 -10.880 256 3HZ LYS 11 HZ1 LYS 11 5.586 -9.473 -9.473 257 H LEU 12 HN LEU 12 10.064 -4.741 -4.741 258 HA LEU 12 HA LEU 12 11.886 -6.674 -6.674 259 1HB LEU 12 HB2 LEU 12 12.285 -3.713 -3.713 260 2HB LEU 12 HB1 LEU 12 13.529 -4.961 -4.961 261 HG LEU 12 HG LEU 12 11.274 -4.508 -4.508 262 1HD1 LEU 12 HD11 LEU 12 13.556 -3.429 -3.429 263 2HD1 LEU 12 HD13 LEU 12 14.222 -5.051 -5.051 264 3HD1 LEU 12 HD12 LEU 12 13.057 -4.444 -4.444 265 1HD2 LEU 12 HD22 LEU 12 12.909 -7.020 -7.020 266 2HD2 LEU 12 HD21 LEU 12 11.152 -6.872 -6.872 267 3HD2 LEU 12 HD23 LEU 12 12.063 -6.694 -6.694 268 H ILE 13 HN ILE 13 10.658 -3.596 -3.596 269 HA ILE 13 HA ILE 13 11.667 -4.498 -4.498 270 HB ILE 13 HB ILE 13 12.188 -2.041 -2.041 271 1HG1 ILE 13 HG12 ILE 13 12.360 -1.570 -1.570 272 2HG1 ILE 13 HG11 ILE 13 10.698 -1.838 -1.838 273 1HG2 ILE 13 HG22 ILE 13 13.513 -3.923 -3.923 274 2HG2 ILE 13 HG21 ILE 13 14.070 -2.250 -2.250 275 3HG2 ILE 13 HG23 ILE 13 14.149 -3.160 -3.160 276 1HD1 ILE 13 HD12 ILE 13 11.708 -0.191 -0.191 277 2HD1 ILE 13 HD11 ILE 13 12.457 0.444 0.444 278 3HD1 ILE 13 HD13 ILE 13 10.701 0.333 0.333 279 H GLU 14 HN GLU 14 9.117 -3.462 -3.462 280 HA GLU 14 HA GLU 14 7.000 -2.474 -2.474 281 1HB GLU 14 HB2 GLU 14 7.110 -4.460 -4.460 282 2HB GLU 14 HB1 GLU 14 5.848 -4.209 -4.209 283 1HG GLU 14 HG2 GLU 14 7.978 -4.938 -4.938 284 2HG GLU 14 HG1 GLU 14 8.260 -5.906 -5.906 285 1H CYS 1 HT1 CYS 1 22.601 -7.351 -7.351 286 2H CYS 1 HT3 CYS 1 23.934 -7.525 -7.525 287 3H CYS 1 HT2 CYS 1 24.014 -6.450 -6.450 288 HA CYS 1 HA CYS 1 23.544 -4.925 -4.925 289 1HB CYS 1 HB2 CYS 1 22.195 -7.292 -7.292 290 2HB CYS 1 HB1 CYS 1 22.242 -5.673 -5.673 291 H TYR 2 HN TYR 2 22.365 -3.844 -3.844 292 HA TYR 2 HA TYR 2 19.501 -3.728 -3.728 293 1HB TYR 2 HB2 TYR 2 20.488 -5.526 -5.526 294 2HB TYR 2 HB1 TYR 2 20.142 -4.097 -4.097 295 HD1 TYR 2 HD1 TYR 2 18.074 -4.338 -4.338 296 HD2 TYR 2 HD2 TYR 2 18.561 -5.523 -5.523 297 HE1 TYR 2 HE1 TYR 2 15.653 -4.802 -4.802 298 HE2 TYR 2 HE2 TYR 2 16.159 -5.990 -5.990 299 HH TYR 2 HH TYR 2 14.275 -6.629 -6.629 300 H LEU 3 HN LEU 3 18.916 -2.147 -2.147 301 HA LEU 3 HA LEU 3 19.197 -0.007 -0.007 302 1HB LEU 3 HB2 LEU 3 22.010 -0.812 -0.812 303 2HB LEU 3 HB1 LEU 3 21.619 0.682 0.682 304 HG LEU 3 HG LEU 3 20.201 -0.906 -0.906 305 1HD1 LEU 3 HD13 LEU 3 21.686 -2.763 -2.763 306 2HD1 LEU 3 HD12 LEU 3 22.052 -2.983 -2.983 307 3HD1 LEU 3 HD11 LEU 3 20.385 -3.079 -3.079 308 1HD2 LEU 3 HD21 LEU 3 23.023 -0.122 -0.122 309 2HD2 LEU 3 HD23 LEU 3 21.804 0.053 0.053 310 3HD2 LEU 3 HD22 LEU 3 22.649 -1.481 -1.481 311 H ARG 4 HN ARG 4 21.281 -0.508 -0.508 312 HA ARG 4 HA ARG 4 20.983 2.158 2.158 313 1HB ARG 4 HB2 ARG 4 21.453 0.093 0.093 314 2HB ARG 4 HB1 ARG 4 22.509 1.408 1.408 315 1HG ARG 4 HG2 ARG 4 23.841 -0.296 -0.296 316 2HG ARG 4 HG1 ARG 4 22.798 -0.286 -0.286 317 1HD ARG 4 HD2 ARG 4 23.076 -2.570 -2.570 318 2HD ARG 4 HD1 ARG 4 21.388 -2.036 -2.036 319 HE ARG 4 HE ARG 4 21.461 -2.241 -2.241 320 1HH1 ARG 4 HH21 ARG 4 24.654 -1.888 -1.888 321 2HH1 ARG 4 HH22 ARG 4 25.258 -1.223 -1.223 322 1HH2 ARG 4 HH11 ARG 4 22.134 -0.997 -0.997 323 2HH2 ARG 4 HH12 ARG 4 23.833 -0.720 -0.720 324 H ARG 5 HN ARG 5 19.575 -1.003 -1.003 325 HA ARG 5 HA ARG 5 17.602 0.233 0.233 326 1HB ARG 5 HB2 ARG 5 16.914 -2.055 -2.055 327 2HB ARG 5 HB1 ARG 5 18.676 -2.052 -2.052 328 1HG ARG 5 HG2 ARG 5 18.192 -2.432 -2.432 329 2HG ARG 5 HG1 ARG 5 16.641 -3.030 -3.030 330 1HD ARG 5 HD2 ARG 5 18.780 -4.098 -4.098 331 2HD ARG 5 HD1 ARG 5 19.070 -4.464 -4.464 332 HE ARG 5 HE ARG 5 16.289 -4.863 -4.863 333 1HH1 ARG 5 HH21 ARG 5 19.393 -6.191 -6.191 334 2HH1 ARG 5 HH22 ARG 5 18.884 -7.835 -7.835 335 1HH2 ARG 5 HH11 ARG 5 15.642 -7.006 -7.006 336 2HH2 ARG 5 HH12 ARG 5 16.763 -8.296 -8.296 337 H PHE 6 HN PHE 6 17.857 0.331 0.331 338 HA PHE 6 HA PHE 6 14.969 -0.131 -0.131 339 1HB PHE 6 HB2 PHE 6 15.928 -1.218 -1.218 340 2HB PHE 6 HB1 PHE 6 17.480 -0.456 -0.456 341 HD1 PHE 6 HD1 PHE 6 18.135 1.563 1.563 342 HD2 PHE 6 HD2 PHE 6 14.296 -0.213 -0.213 343 HE1 PHE 6 HE1 PHE 6 17.821 2.991 2.991 344 HE2 PHE 6 HE2 PHE 6 13.971 1.214 1.214 345 HZ PHE 6 HZ PHE 6 15.734 2.830 2.830 346 H PHE 7 HN PHE 7 17.496 2.266 2.266 347 HA PHE 7 HA PHE 7 15.545 4.251 4.251 348 1HB PHE 7 HB2 PHE 7 17.424 5.595 5.595 349 2HB PHE 7 HB1 PHE 7 17.986 3.950 3.950 350 HD1 PHE 7 HD1 PHE 7 20.029 3.348 3.348 351 HD2 PHE 7 HD2 PHE 7 17.745 6.425 6.425 352 HE1 PHE 7 HE1 PHE 7 21.869 3.694 3.694 353 HE2 PHE 7 HE2 PHE 7 19.580 6.766 6.766 354 HZ PHE 7 HZ PHE 7 21.648 5.403 5.403 355 H LYS 8 HN LYS 8 17.271 3.433 3.433 356 HA LYS 8 HA LYS 8 16.922 5.782 5.782 357 1HB LYS 8 HB2 LYS 8 17.236 2.911 2.911 358 2HB LYS 8 HB1 LYS 8 16.621 3.845 3.845 359 1HG LYS 8 HG2 LYS 8 18.824 5.201 5.201 360 2HG LYS 8 HG1 LYS 8 19.300 3.606 3.606 361 1HD LYS 8 HD2 LYS 8 19.679 5.138 5.138 362 2HD LYS 8 HD1 LYS 8 18.223 4.229 4.229 363 1HE LYS 8 HE2 LYS 8 16.855 6.114 6.114 364 2HE LYS 8 HE1 LYS 8 18.359 7.043 7.043 365 1HZ LYS 8 HZ1 LYS 8 18.676 6.233 6.233 366 2HZ LYS 8 HZ3 LYS 8 16.983 6.136 6.136 367 3HZ LYS 8 HZ2 LYS 8 17.753 7.618 7.618 368 H ALA 9 HN ALA 9 14.720 2.976 2.976 369 HA ALA 9 HA ALA 9 12.642 4.147 4.147 370 1HB ALA 9 HB2 ALA 9 13.132 1.795 1.795 371 2HB ALA 9 HB1 ALA 9 11.441 2.288 2.288 372 3HB ALA 9 HB3 ALA 9 12.320 1.888 1.888 373 H LYS 10 HN LYS 10 13.574 4.331 4.331 374 HA LYS 10 HA LYS 10 11.186 5.241 5.241 375 1HB LYS 10 HB2 LYS 10 13.611 4.521 4.521 376 2HB LYS 10 HB1 LYS 10 13.835 6.264 6.264 377 1HG LYS 10 HG2 LYS 10 12.954 6.149 6.149 378 2HG LYS 10 HG1 LYS 10 11.422 6.090 6.090 379 1HD LYS 10 HD2 LYS 10 12.248 3.455 3.455 380 2HD LYS 10 HD1 LYS 10 12.771 3.988 3.988 381 1HE LYS 10 HE2 LYS 10 10.507 3.197 3.197 382 2HE LYS 10 HE1 LYS 10 10.410 4.969 4.969 383 1HZ LYS 10 HZ2 LYS 10 10.079 3.260 3.260 384 2HZ LYS 10 HZ1 LYS 10 8.810 4.005 4.005 385 3HZ LYS 10 HZ3 LYS 10 9.962 4.956 4.956 386 H LYS 11 HN LYS 11 14.010 7.266 7.266 387 HA LYS 11 HA LYS 11 12.968 9.796 9.796 388 1HB LYS 11 HB2 LYS 11 14.916 8.448 8.448 389 2HB LYS 11 HB1 LYS 11 14.406 10.062 10.062 390 1HG LYS 11 HG2 LYS 11 15.369 9.436 9.436 391 2HG LYS 11 HG1 LYS 11 16.448 9.986 9.986 392 1HD LYS 11 HD2 LYS 11 15.358 12.079 12.079 393 2HD LYS 11 HD1 LYS 11 13.939 11.509 11.509 394 1HE LYS 11 HE2 LYS 11 15.080 11.530 11.530 395 2HE LYS 11 HE1 LYS 11 16.671 11.642 11.642 396 1HZ LYS 11 HZ2 LYS 11 15.500 13.731 13.731 397 2HZ LYS 11 HZ1 LYS 11 14.636 13.706 13.706 398 3HZ LYS 11 HZ3 LYS 11 16.326 13.841 13.841 399 H LEU 12 HN LEU 12 12.359 7.553 7.553 400 HA LEU 12 HA LEU 12 10.977 9.354 9.354 401 1HB LEU 12 HB2 LEU 12 11.063 6.366 6.366 402 2HB LEU 12 HB1 LEU 12 10.100 7.104 7.104 403 HG LEU 12 HG LEU 12 13.073 7.532 7.532 404 1HD1 LEU 12 HD11 LEU 12 11.757 5.327 5.327 405 2HD1 LEU 12 HD13 LEU 12 12.206 6.303 6.303 406 3HD1 LEU 12 HD12 LEU 12 13.444 5.769 5.769 407 1HD2 LEU 12 HD23 LEU 12 11.056 8.976 8.976 408 2HD2 LEU 12 HD22 LEU 12 12.781 9.319 9.319 409 3HD2 LEU 12 HD21 LEU 12 12.187 8.237 8.237 410 H ILE 13 HN ILE 13 10.028 7.997 7.997 411 HA ILE 13 HA ILE 13 7.259 8.948 8.948 412 HB ILE 13 HB ILE 13 6.583 6.703 6.703 413 1HG1 ILE 13 HG12 ILE 13 8.566 5.235 5.235 414 2HG1 ILE 13 HG11 ILE 13 9.376 6.319 6.319 415 1HG2 ILE 13 HG22 ILE 13 6.860 7.518 7.518 416 2HG2 ILE 13 HG21 ILE 13 7.193 5.790 5.790 417 3HG2 ILE 13 HG23 ILE 13 5.660 6.434 6.434 418 1HD1 ILE 13 HD13 ILE 13 7.000 4.762 4.762 419 2HD1 ILE 13 HD12 ILE 13 8.552 3.939 3.939 420 3HD1 ILE 13 HD11 ILE 13 8.394 5.338 5.338 421 H GLU 14 HN GLU 14 9.065 10.249 10.249 422 HA GLU 14 HA GLU 14 8.132 9.714 9.714 423 1HB GLU 14 HB2 GLU 14 10.855 10.392 10.392 424 2HB GLU 14 HB1 GLU 14 10.486 10.312 10.312 425 1HG GLU 14 HG2 GLU 14 9.733 8.002 8.002 426 2HG GLU 14 HG1 GLU 14 11.424 8.192 8.192 427 1H CYS 1 HT3 CYS 1 24.643 -5.251 -5.251 428 2H CYS 1 HT2 CYS 1 24.937 -4.756 -4.756 429 3H CYS 1 HT1 CYS 1 25.218 -6.367 -6.367 430 HA CYS 1 HA CYS 1 22.951 -6.875 -6.875 431 1HB CYS 1 HB2 CYS 1 23.615 -4.895 -4.895 432 2HB CYS 1 HB1 CYS 1 22.140 -5.871 -5.871 433 H TYR 2 HN TYR 2 22.627 -5.555 -5.555 434 HA TYR 2 HA TYR 2 20.178 -4.163 -4.163 435 1HB TYR 2 HB2 TYR 2 20.767 -1.983 -1.983 436 2HB TYR 2 HB1 TYR 2 22.272 -2.654 -2.654 437 HD1 TYR 2 HD1 TYR 2 24.279 -2.001 -2.001 438 HD2 TYR 2 HD2 TYR 2 20.651 -1.605 -1.605 439 HE1 TYR 2 HE1 TYR 2 25.531 -0.890 -0.890 440 HE2 TYR 2 HE2 TYR 2 21.888 -0.493 -0.493 441 HH TYR 2 HH TYR 2 23.932 0.043 0.043 442 H LEU 3 HN LEU 3 23.265 -4.681 -4.681 443 HA LEU 3 HA LEU 3 22.853 -3.947 -3.947 444 1HB LEU 3 HB2 LEU 3 24.311 -5.962 -5.962 445 2HB LEU 3 HB1 LEU 3 24.075 -6.394 -6.394 446 HG LEU 3 HG LEU 3 25.069 -4.301 -4.301 447 1HD1 LEU 3 HD12 LEU 3 24.426 -3.495 -3.495 448 2HD1 LEU 3 HD11 LEU 3 26.179 -3.406 -3.406 449 3HD1 LEU 3 HD13 LEU 3 25.153 -2.516 -2.516 450 1HD2 LEU 3 HD21 LEU 3 26.415 -6.419 -6.419 451 2HD2 LEU 3 HD23 LEU 3 27.235 -4.993 -4.993 452 3HD2 LEU 3 HD22 LEU 3 27.014 -5.180 -5.180 453 H ARG 4 HN ARG 4 22.033 -7.042 -7.042 454 HA ARG 4 HA ARG 4 20.621 -8.275 -8.275 455 1HB ARG 4 HB2 ARG 4 19.571 -9.544 -9.544 456 2HB ARG 4 HB1 ARG 4 21.245 -9.214 -9.214 457 1HG ARG 4 HG2 ARG 4 19.207 -7.209 -7.209 458 2HG ARG 4 HG1 ARG 4 19.217 -8.752 -8.752 459 1HD ARG 4 HD2 ARG 4 21.740 -8.409 -8.409 460 2HD ARG 4 HD1 ARG 4 21.461 -6.732 -6.732 461 HE ARG 4 HE ARG 4 20.516 -6.358 -6.358 462 1HH1 ARG 4 HH21 ARG 4 21.580 -9.237 -9.237 463 2HH1 ARG 4 HH22 ARG 4 20.162 -9.905 -9.905 464 1HH2 ARG 4 HH11 ARG 4 18.059 -7.396 -7.396 465 2HH2 ARG 4 HH12 ARG 4 18.169 -8.863 -8.863 466 H ARG 5 HN ARG 5 19.670 -5.600 -5.600 467 HA ARG 5 HA ARG 5 16.903 -5.697 -5.697 468 1HB ARG 5 HB2 ARG 5 16.331 -4.591 -4.591 469 2HB ARG 5 HB1 ARG 5 17.901 -5.159 -5.159 470 1HG ARG 5 HG2 ARG 5 18.705 -2.901 -2.901 471 2HG ARG 5 HG1 ARG 5 17.050 -2.420 -2.420 472 1HD ARG 5 HD2 ARG 5 18.378 -3.787 -3.787 473 2HD ARG 5 HD1 ARG 5 19.156 -2.265 -2.265 474 HE ARG 5 HE ARG 5 16.295 -1.950 -1.950 475 1HH1 ARG 5 HH11 ARG 5 19.024 -0.752 -0.752 476 2HH1 ARG 5 HH12 ARG 5 18.381 -0.511 -0.511 477 1HH2 ARG 5 HH21 ARG 5 15.470 -2.293 -2.293 478 2HH2 ARG 5 HH22 ARG 5 16.366 -1.382 -1.382 479 H PHE 6 HN PHE 6 19.740 -4.568 -4.568 480 HA PHE 6 HA PHE 6 18.499 -2.094 -2.094 481 1HB PHE 6 HB2 PHE 6 20.415 -1.100 -1.100 482 2HB PHE 6 HB1 PHE 6 20.966 -2.641 -2.641 483 HD1 PHE 6 HD1 PHE 6 22.397 -4.116 -4.116 484 HD2 PHE 6 HD2 PHE 6 21.146 -0.278 -0.278 485 HE1 PHE 6 HE1 PHE 6 24.144 -4.198 -4.198 486 HE2 PHE 6 HE2 PHE 6 22.892 -0.357 -0.357 487 HZ PHE 6 HZ PHE 6 24.406 -2.319 -2.319 488 H PHE 7 HN PHE 7 20.657 -4.829 -4.829 489 HA PHE 7 HA PHE 7 20.493 -4.313 -4.313 490 1HB PHE 7 HB2 PHE 7 22.096 -5.974 -5.974 491 2HB PHE 7 HB1 PHE 7 22.252 -5.527 -5.527 492 HD1 PHE 7 HD1 PHE 7 22.076 -7.173 -7.173 493 HD2 PHE 7 HD2 PHE 7 20.350 -7.869 -7.869 494 HE1 PHE 7 HE1 PHE 7 21.543 -9.507 -9.507 495 HE2 PHE 7 HE2 PHE 7 19.813 -10.198 -10.198 496 HZ PHE 7 HZ PHE 7 20.411 -11.017 -11.017 497 H LYS 8 HN LYS 8 18.623 -6.164 -6.164 498 HA LYS 8 HA LYS 8 17.393 -8.013 -8.013 499 1HB LYS 8 HB2 LYS 8 17.096 -6.938 -6.938 500 2HB LYS 8 HB1 LYS 8 15.522 -7.244 -7.244 501 1HG LYS 8 HG2 LYS 8 16.278 -9.545 -9.545 502 2HG LYS 8 HG1 LYS 8 17.801 -9.228 -9.228 503 1HD LYS 8 HD2 LYS 8 16.057 -8.500 -8.500 504 2HD LYS 8 HD1 LYS 8 15.105 -9.742 -9.742 505 1HE LYS 8 HE2 LYS 8 17.986 -10.318 -10.318 506 2HE LYS 8 HE1 LYS 8 16.775 -10.446 -10.446 507 1HZ LYS 8 HZ2 LYS 8 15.421 -11.672 -11.672 508 2HZ LYS 8 HZ1 LYS 8 16.936 -11.928 -11.928 509 3HZ LYS 8 HZ3 LYS 8 16.633 -12.516 -12.516 510 H ALA 9 HN ALA 9 16.238 -4.797 -4.797 511 HA ALA 9 HA ALA 9 13.991 -4.762 -4.762 512 1HB ALA 9 HB3 ALA 9 15.515 -2.750 -2.750 513 2HB ALA 9 HB2 ALA 9 14.166 -2.249 -2.249 514 3HB ALA 9 HB1 ALA 9 13.903 -3.402 -3.402 515 H LYS 10 HN LYS 10 17.361 -4.034 -4.034 516 HA LYS 10 HA LYS 10 17.350 -2.228 -2.228 517 1HB LYS 10 HB2 LYS 10 19.148 -3.250 -3.250 518 2HB LYS 10 HB1 LYS 10 19.409 -4.318 -4.318 519 1HG LYS 10 HG2 LYS 10 20.691 -2.719 -2.719 520 2HG LYS 10 HG1 LYS 10 19.231 -1.745 -1.745 521 1HD LYS 10 HD2 LYS 10 19.795 -1.345 -1.345 522 2HD LYS 10 HD1 LYS 10 21.420 -1.513 -1.513 523 1HE LYS 10 HE2 LYS 10 21.268 0.440 0.440 524 2HE LYS 10 HE1 LYS 10 19.539 0.216 0.216 525 1HZ LYS 10 HZ3 LYS 10 19.252 0.522 0.522 526 2HZ LYS 10 HZ2 LYS 10 20.823 1.169 1.169 527 3HZ LYS 10 HZ1 LYS 10 19.590 1.911 1.911 528 H LYS 11 HN LYS 11 17.998 -5.745 -5.745 529 HA LYS 11 HA LYS 11 18.046 -6.206 -6.206 530 1HB LYS 11 HB2 LYS 11 17.628 -7.652 -7.652 531 2HB LYS 11 HB1 LYS 11 16.441 -8.228 -8.228 532 1HG LYS 11 HG2 LYS 11 19.438 -8.054 -8.054 533 2HG LYS 11 HG1 LYS 11 18.501 -9.533 -9.533 534 1HD LYS 11 HD2 LYS 11 17.119 -8.439 -8.439 535 2HD LYS 11 HD1 LYS 11 18.713 -7.758 -7.758 536 1HE LYS 11 HE2 LYS 11 19.700 -10.026 -10.026 537 2HE LYS 11 HE1 LYS 11 18.095 -10.711 -10.711 538 1HZ LYS 11 HZ2 LYS 11 17.347 -9.429 -9.429 539 2HZ LYS 11 HZ1 LYS 11 18.991 -9.201 -9.201 540 3HZ LYS 11 HZ3 LYS 11 18.348 -10.769 -10.769 541 H LEU 12 HN LEU 12 15.196 -5.579 -5.579 542 HA LEU 12 HA LEU 12 13.222 -6.293 -6.293 543 1HB LEU 12 HB2 LEU 12 13.339 -4.594 -4.594 544 2HB LEU 12 HB1 LEU 12 11.842 -4.752 -4.752 545 HG LEU 12 HG LEU 12 13.459 -7.029 -7.029 546 1HD1 LEU 12 HD11 LEU 12 11.181 -5.413 -5.413 547 2HD1 LEU 12 HD13 LEU 12 10.903 -7.153 -7.153 548 3HD1 LEU 12 HD12 LEU 12 12.281 -6.439 -6.439 549 1HD2 LEU 12 HD21 LEU 12 11.365 -6.889 -6.889 550 2HD2 LEU 12 HD23 LEU 12 12.479 -8.202 -8.202 551 3HD2 LEU 12 HD22 LEU 12 10.990 -8.009 -8.009 552 H ILE 13 HN ILE 13 15.404 -3.672 -3.672 553 HA ILE 13 HA ILE 13 13.877 -2.356 -2.356 554 HB ILE 13 HB ILE 13 14.330 -0.141 -0.141 555 1HG1 ILE 13 HG12 ILE 13 13.935 -1.219 -1.219 556 2HG1 ILE 13 HG11 ILE 13 15.297 -2.100 -2.100 557 1HG2 ILE 13 HG22 ILE 13 12.099 -1.369 -1.369 558 2HG2 ILE 13 HG21 ILE 13 12.287 -1.962 -1.962 559 3HG2 ILE 13 HG23 ILE 13 12.165 -0.229 -0.229 560 1HD1 ILE 13 HD12 ILE 13 15.968 0.385 0.385 561 2HD1 ILE 13 HD11 ILE 13 15.051 0.788 0.788 562 3HD1 ILE 13 HD13 ILE 13 16.451 -0.276 -0.276 563 H GLU 14 HN GLU 14 16.190 -3.734 -3.734 564 HA GLU 14 HA GLU 14 18.159 -1.602 -1.602 565 1HB GLU 14 HB2 GLU 14 18.469 -4.365 -4.365 566 2HB GLU 14 HB1 GLU 14 19.836 -3.328 -3.328 567 1HG GLU 14 HG2 GLU 14 17.685 -2.212 -2.212 568 2HG GLU 14 HG1 GLU 14 18.827 -3.332 -3.332
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