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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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633975 |
6mk5 ![]() ![]() |
30522 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASP 1 1HT ASP 1 -7.981 11.192 -3.079 2 H2 ASP 1 2HT ASP 1 -9.133 12.089 -2.244 3 H3 ASP 1 3HT ASP 1 -9.022 10.394 -2.055 4 HA ASP 1 HA ASP 1 -6.861 12.216 -1.287 5 HB2 ASP 1 2HB ASP 1 -8.902 10.777 0.439 6 HB3 ASP 1 1HB ASP 1 -7.480 11.619 1.045 7 H CYS 2 H CYS 2 -5.019 11.113 -0.702 8 HA CYS 2 HA CYS 2 -4.988 8.480 -1.716 9 HB2 CYS 2 2HB CYS 2 -2.847 10.352 -0.824 10 HB3 CYS 2 1HB CYS 2 -2.491 8.664 -1.155 11 H LEU 3 H LEU 3 -5.454 6.791 -0.652 12 HA LEU 3 HA LEU 3 -5.150 6.548 2.202 13 HB2 LEU 3 2HB LEU 3 -5.726 4.447 0.108 14 HB3 LEU 3 1HB LEU 3 -5.863 4.227 1.836 15 HG LEU 3 HG LEU 3 -7.587 5.996 0.116 16 HD11 LEU 3 1HD1 LEU 3 -8.211 3.440 1.584 17 HD12 LEU 3 2HD1 LEU 3 -7.957 3.579 -0.149 18 HD13 LEU 3 3HD1 LEU 3 -9.334 4.384 0.603 19 HD21 LEU 3 1HD2 LEU 3 -7.692 5.422 3.078 20 HD22 LEU 3 2HD2 LEU 3 -8.933 6.272 2.167 21 HD23 LEU 3 3HD2 LEU 3 -7.323 6.973 2.320 22 H GLY 4 H GLY 4 -3.533 5.395 3.217 23 HA2 GLY 4 2HA GLY 4 -1.919 3.518 2.652 24 HA3 GLY 4 1HA GLY 4 -1.290 4.682 1.496 25 H ALA 5 H ALA 5 0.400 5.693 2.151 26 HA ALA 5 HA ALA 5 2.132 6.283 3.411 27 HB1 ALA 5 1HB ALA 5 1.710 7.997 5.062 28 HB2 ALA 5 2HB ALA 5 0.022 7.506 5.185 29 HB3 ALA 5 3HB ALA 5 0.625 8.225 3.690 30 H PHE 6 H PHE 6 2.183 3.869 3.790 31 HA PHE 6 HA PHE 6 2.988 2.251 5.039 32 HB2 PHE 6 2HB PHE 6 3.286 4.363 7.181 33 HB3 PHE 6 1HB PHE 6 3.985 2.746 7.255 34 HD1 PHE 6 1HD PHE 6 4.287 6.075 5.877 35 HD2 PHE 6 2HD PHE 6 5.748 2.093 5.633 36 HE1 PHE 6 1HE PHE 6 6.242 6.874 4.632 37 HE2 PHE 6 2HE PHE 6 7.709 2.892 4.394 38 HZ PHE 6 HZ PHE 6 7.960 5.284 3.890 39 H ARG 7 H ARG 7 0.072 3.068 5.207 40 HA ARG 7 HA ARG 7 -0.814 1.772 7.617 41 HB2 ARG 7 2HB ARG 7 -2.185 2.743 5.130 42 HB3 ARG 7 1HB ARG 7 -3.032 1.655 6.216 43 HG2 ARG 7 2HG ARG 7 -1.806 4.233 7.153 44 HG3 ARG 7 1HG ARG 7 -3.451 4.136 6.522 45 HD2 ARG 7 2HD ARG 7 -2.371 2.587 8.884 46 HD3 ARG 7 1HD ARG 7 -3.421 4.001 8.970 47 HE ARG 7 HE ARG 7 -4.574 1.992 7.343 48 HH11 ARG 7 1HH1 ARG 7 -4.045 2.766 10.763 49 HH12 ARG 7 2HH1 ARG 7 -5.411 1.906 11.300 50 HH21 ARG 7 1HH2 ARG 7 -6.421 0.803 8.091 51 HH22 ARG 7 2HH2 ARG 7 -6.788 0.738 9.749 52 H LYS 8 H LYS 8 -1.300 -0.372 7.888 53 HA LYS 8 HA LYS 8 -0.090 -2.122 6.069 54 HB2 LYS 8 2HB LYS 8 -1.814 -2.743 8.459 55 HB3 LYS 8 1HB LYS 8 -0.978 -3.966 7.504 56 HG2 LYS 8 2HG LYS 8 1.158 -2.820 7.975 57 HG3 LYS 8 1HG LYS 8 0.294 -1.707 9.029 58 HD2 LYS 8 2HD LYS 8 -0.424 -3.614 10.397 59 HD3 LYS 8 1HD LYS 8 0.508 -4.690 9.356 60 HE2 LYS 8 2HE LYS 8 1.790 -4.153 11.355 61 HE3 LYS 8 1HE LYS 8 2.555 -3.455 9.929 62 HZ1 LYS 8 1HZ LYS 8 0.807 -1.997 11.824 63 HZ2 LYS 8 2HZ LYS 8 1.649 -1.309 10.516 64 HZ3 LYS 8 3HZ LYS 8 2.487 -1.946 11.818 65 H CYS 9 H CYS 9 -0.823 -3.638 4.725 66 HA CYS 9 HA CYS 9 -3.409 -2.895 3.544 67 HB2 CYS 9 2HB CYS 9 -2.294 -3.373 1.412 68 HB3 CYS 9 1HB CYS 9 -1.568 -2.029 2.298 69 H ILE 10 H ILE 10 -4.630 -4.466 2.574 70 HA ILE 10 HA ILE 10 -3.989 -7.262 3.117 71 HB ILE 10 HB ILE 10 -6.564 -5.965 2.151 72 HG12 ILE 10 2HG1 ILE 10 -6.083 -5.261 4.439 73 HG13 ILE 10 1HG1 ILE 10 -7.452 -6.364 4.408 74 HG21 ILE 10 1HG2 ILE 10 -6.379 -8.279 1.449 75 HG22 ILE 10 2HG2 ILE 10 -7.635 -8.091 2.673 76 HG23 ILE 10 3HG2 ILE 10 -6.069 -8.772 3.117 77 HD11 ILE 10 1HD1 ILE 10 -4.632 -7.020 5.230 78 HD12 ILE 10 2HD1 ILE 10 -5.957 -8.180 5.143 79 HD13 ILE 10 3HD1 ILE 10 -6.026 -6.848 6.295 80 HA PRO 11 HA PRO 11 -2.497 -7.079 -1.180 81 HB2 PRO 11 2HB PRO 11 -2.434 -10.019 -0.791 82 HB3 PRO 11 1HB PRO 11 -1.164 -8.934 -1.363 83 HG2 PRO 11 2HG PRO 11 -1.086 -9.948 1.097 84 HG3 PRO 11 1HG PRO 11 -0.576 -8.282 0.782 85 HD2 PRO 11 2HD PRO 11 -3.093 -9.286 2.022 86 HD3 PRO 11 1HD PRO 11 -2.137 -7.844 2.397 87 H ASP 12 H ASP 12 -5.043 -9.290 -0.080 88 HA ASP 12 HA ASP 12 -5.827 -9.955 -2.767 89 HB2 ASP 12 2HB ASP 12 -7.081 -10.635 -0.115 90 HB3 ASP 12 1HB ASP 12 -7.862 -11.024 -1.641 91 H ASN 13 H ASN 13 -6.436 -7.323 -0.856 92 HA ASN 13 HA ASN 13 -8.154 -6.260 -2.829 93 HB2 ASN 13 2HB ASN 13 -9.930 -5.440 -1.175 94 HB3 ASN 13 1HB ASN 13 -10.001 -7.142 -1.584 95 HD21 ASN 13 1HD2 ASN 13 -9.358 -4.821 0.927 96 HD22 ASN 13 2HD2 ASN 13 -9.358 -5.944 2.230 97 H ASP 14 H ASP 14 -6.218 -5.271 -3.040 98 HA ASP 14 HA ASP 14 -5.151 -3.648 -0.962 99 HB2 ASP 14 2HB ASP 14 -3.669 -4.667 -2.570 100 HB3 ASP 14 1HB ASP 14 -4.452 -3.802 -3.888 101 H LYS 15 H LYS 15 -5.902 -1.825 -0.358 102 HA LYS 15 HA LYS 15 -6.975 0.036 -2.316 103 HB2 LYS 15 2HB LYS 15 -7.948 -0.427 0.510 104 HB3 LYS 15 1HB LYS 15 -8.417 0.947 -0.481 105 HG2 LYS 15 2HG LYS 15 -9.478 -0.520 -2.086 106 HG3 LYS 15 1HG LYS 15 -8.918 -1.938 -1.204 107 HD2 LYS 15 2HD LYS 15 -11.268 -1.496 -0.716 108 HD3 LYS 15 1HD LYS 15 -10.289 -1.279 0.728 109 HE2 LYS 15 2HE LYS 15 -11.933 0.494 0.588 110 HE3 LYS 15 1HE LYS 15 -10.332 1.175 0.336 111 HZ1 LYS 15 1HZ LYS 15 -12.295 0.528 -1.799 112 HZ2 LYS 15 2HZ LYS 15 -10.774 1.221 -2.051 113 HZ3 LYS 15 3HZ LYS 15 -11.949 2.066 -1.212 114 H CYS 16 H CYS 16 -4.970 0.992 -2.554 115 HA CYS 16 HA CYS 16 -4.319 2.844 -0.397 116 HB2 CYS 16 2HB CYS 16 -2.243 1.664 -2.297 117 HB3 CYS 16 1HB CYS 16 -1.944 2.646 -0.875 118 H CYS 17 H CYS 17 -2.910 4.673 -1.734 119 HA CYS 17 HA CYS 17 -4.752 5.484 -3.791 120 HB2 CYS 17 2HB CYS 17 -3.623 6.997 -2.077 121 HB3 CYS 17 1HB CYS 17 -2.175 6.827 -3.054 122 H ARG 18 H ARG 18 -4.387 3.808 -5.345 123 HA ARG 18 HA ARG 18 -1.790 3.539 -6.519 124 HB2 ARG 18 2HB ARG 18 -4.483 2.462 -7.372 125 HB3 ARG 18 1HB ARG 18 -3.009 2.154 -8.267 126 HG2 ARG 18 2HG ARG 18 -2.074 1.113 -6.184 127 HG3 ARG 18 1HG ARG 18 -3.682 1.263 -5.475 128 HD2 ARG 18 2HD ARG 18 -4.618 -0.079 -7.292 129 HD3 ARG 18 1HD ARG 18 -3.024 -0.206 -8.020 130 HE ARG 18 HE ARG 18 -3.012 -1.181 -5.337 131 HH11 ARG 18 1HH1 ARG 18 -3.994 -2.141 -8.614 132 HH12 ARG 18 2HH1 ARG 18 -3.797 -3.808 -8.275 133 HH21 ARG 18 1HH2 ARG 18 -2.766 -3.317 -4.959 134 HH22 ARG 18 2HH2 ARG 18 -3.085 -4.538 -6.140 135 HA PRO 19 HA PRO 19 -1.043 2.899 -8.505 136 HB2 PRO 19 2HB PRO 19 0.574 3.655 -10.455 137 HB3 PRO 19 1HB PRO 19 -1.087 3.170 -10.813 138 HG2 PRO 19 2HG PRO 19 0.103 5.899 -10.707 139 HG3 PRO 19 1HG PRO 19 -1.154 5.264 -11.780 140 HD2 PRO 19 2HD PRO 19 -1.554 6.790 -9.439 141 HD3 PRO 19 1HD PRO 19 -2.795 5.906 -10.344 142 H ASN 20 H ASN 20 -0.698 5.677 -7.034 143 HA ASN 20 HA ASN 20 2.170 6.020 -7.053 144 HB2 ASN 20 2HB ASN 20 0.018 7.387 -5.441 145 HB3 ASN 20 1HB ASN 20 1.729 7.788 -5.342 146 HD21 ASN 20 1HD2 ASN 20 2.227 7.437 -8.209 147 HD22 ASN 20 2HD2 ASN 20 1.461 8.775 -8.969 148 H LEU 21 H LEU 21 -0.217 4.719 -4.848 149 HA LEU 21 HA LEU 21 2.006 3.557 -3.340 150 HB2 LEU 21 2HB LEU 21 -0.661 4.440 -2.203 151 HB3 LEU 21 1HB LEU 21 0.554 3.540 -1.339 152 HG LEU 21 HG LEU 21 2.098 5.555 -1.763 153 HD11 LEU 21 1HD1 LEU 21 -0.543 6.941 -2.071 154 HD12 LEU 21 2HD1 LEU 21 0.611 6.680 -3.379 155 HD13 LEU 21 3HD1 LEU 21 1.052 7.692 -2.001 156 HD21 LEU 21 1HD2 LEU 21 -0.244 5.748 0.090 157 HD22 LEU 21 2HD2 LEU 21 1.281 6.626 0.245 158 HD23 LEU 21 3HD2 LEU 21 1.254 4.868 0.395 159 H VAL 22 H VAL 22 1.899 1.445 -2.987 160 HA VAL 22 HA VAL 22 -0.559 -0.008 -3.666 161 HB VAL 22 HB VAL 22 2.211 -0.804 -4.668 162 HG11 VAL 22 1HG1 VAL 22 0.799 -2.715 -4.235 163 HG12 VAL 22 2HG1 VAL 22 1.060 -2.524 -5.971 164 HG13 VAL 22 3HG1 VAL 22 -0.477 -2.036 -5.247 165 HG21 VAL 22 1HG2 VAL 22 1.410 -0.328 -6.934 166 HG22 VAL 22 2HG2 VAL 22 1.429 1.120 -5.924 167 HG23 VAL 22 3HG2 VAL 22 -0.097 0.301 -6.264 168 H CYS 23 H CYS 23 -0.740 -1.991 -2.477 169 HA CYS 23 HA CYS 23 0.475 -2.194 0.004 170 HB2 CYS 23 2HB CYS 23 -1.585 -3.378 -0.564 171 HB3 CYS 23 1HB CYS 23 -0.707 -4.367 -1.717 172 H SER 24 H SER 24 2.676 -2.368 0.265 173 HA SER 24 HA SER 24 4.091 -4.135 -1.469 174 HB2 SER 24 2HB SER 24 4.866 -2.443 0.885 175 HB3 SER 24 1HB SER 24 5.996 -3.308 -0.165 176 HG SER 24 HG SER 24 4.103 -1.737 -1.401 177 H ARG 25 H ARG 25 3.715 -6.128 -1.079 178 HA ARG 25 HA ARG 25 2.519 -7.160 1.218 179 HB2 ARG 25 2HB ARG 25 3.982 -8.640 -0.958 180 HB3 ARG 25 1HB ARG 25 2.898 -9.369 0.223 181 HG2 ARG 25 2HG ARG 25 1.052 -8.020 -0.621 182 HG3 ARG 25 1HG ARG 25 2.126 -7.269 -1.792 183 HD2 ARG 25 2HD ARG 25 2.519 -9.492 -2.793 184 HD3 ARG 25 1HD ARG 25 1.357 -10.176 -1.650 185 HE ARG 25 HE ARG 25 0.280 -7.975 -3.075 186 HH11 ARG 25 1HH1 ARG 25 0.872 -11.436 -3.380 187 HH12 ARG 25 2HH1 ARG 25 -0.328 -11.670 -4.569 188 HH21 ARG 25 1HH2 ARG 25 -1.384 -8.317 -4.708 189 HH22 ARG 25 2HH2 ARG 25 -1.615 -9.886 -5.319 190 H LEU 26 H LEU 26 5.894 -7.117 0.262 191 HA LEU 26 HA LEU 26 6.775 -8.813 2.389 192 HB2 LEU 26 2HB LEU 26 8.371 -6.802 0.810 193 HB3 LEU 26 1HB LEU 26 9.012 -8.084 1.810 194 HG LEU 26 HG LEU 26 7.476 -8.451 -0.755 195 HD11 LEU 26 1HD1 LEU 26 9.612 -9.245 -1.623 196 HD12 LEU 26 2HD1 LEU 26 10.372 -8.886 -0.069 197 HD13 LEU 26 3HD1 LEU 26 9.730 -7.578 -1.052 198 HD21 LEU 26 1HD2 LEU 26 8.761 -10.471 1.079 199 HD22 LEU 26 2HD2 LEU 26 8.082 -10.820 -0.511 200 HD23 LEU 26 3HD2 LEU 26 7.030 -10.280 0.797 201 H HIS 27 H HIS 27 6.325 -5.402 2.008 202 HA HIS 27 HA HIS 27 7.623 -4.826 4.526 203 HB2 HIS 27 2HB HIS 27 6.216 -3.005 2.561 204 HB3 HIS 27 1HB HIS 27 6.954 -2.444 4.058 205 HD1 HIS 27 1HD HIS 27 9.641 -2.745 4.194 206 HD2 HIS 27 2HD HIS 27 7.938 -3.317 0.447 207 HE1 HIS 27 1HE HIS 27 11.540 -2.703 2.531 208 H ARG 28 H ARG 28 4.488 -5.297 3.284 209 HA ARG 28 HA ARG 28 2.594 -5.933 4.255 210 HB2 ARG 28 2HB ARG 28 3.956 -5.365 6.884 211 HB3 ARG 28 1HB ARG 28 2.280 -5.874 6.780 212 HG2 ARG 28 2HG ARG 28 4.527 -7.473 5.573 213 HG3 ARG 28 1HG ARG 28 4.009 -7.676 7.245 214 HD2 ARG 28 2HD ARG 28 2.974 -9.326 5.741 215 HD3 ARG 28 1HD ARG 28 1.786 -8.284 6.521 216 HE ARG 28 HE ARG 28 2.720 -7.910 3.766 217 HH11 ARG 28 1HH1 ARG 28 0.052 -8.416 6.023 218 HH12 ARG 28 2HH1 ARG 28 -1.162 -7.759 5.047 219 HH21 ARG 28 1HH2 ARG 28 0.959 -6.911 2.337 220 HH22 ARG 28 2HH2 ARG 28 -0.615 -6.838 2.981 221 H TRP 29 H TRP 29 3.500 -3.090 3.630 222 HA TRP 29 HA TRP 29 0.984 -1.933 4.492 223 HB2 TRP 29 2HB TRP 29 2.147 0.225 5.074 224 HB3 TRP 29 1HB TRP 29 2.368 -1.098 6.206 225 HD1 TRP 29 HD TRP 29 4.377 0.327 3.158 226 HE1 TRP 29 1HE TRP 29 6.875 0.268 3.785 227 HE3 TRP 29 3HE TRP 29 3.987 -1.737 7.816 228 HZ2 TRP 29 2HZ TRP 29 8.466 -0.552 5.988 229 HZ3 TRP 29 3HZ TRP 29 6.041 -2.117 9.120 230 HH2 TRP 29 HH TRP 29 8.229 -1.534 8.215 231 H CYS 30 H CYS 30 0.472 0.092 3.476 232 HA CYS 30 HA CYS 30 0.818 0.088 0.632 233 HB2 CYS 30 2HB CYS 30 -0.230 2.152 2.555 234 HB3 CYS 30 1HB CYS 30 -0.295 2.381 0.832 235 H LYS 31 H LYS 31 2.829 0.626 -0.160 236 HA LYS 31 HA LYS 31 4.079 2.930 1.135 237 HB2 LYS 31 2HB LYS 31 6.145 1.909 1.120 238 HB3 LYS 31 1HB LYS 31 5.196 0.459 1.037 239 HG2 LYS 31 2HG LYS 31 5.459 0.336 -1.358 240 HG3 LYS 31 1HG LYS 31 6.341 1.863 -1.363 241 HD2 LYS 31 2HD LYS 31 8.085 0.833 0.039 242 HD3 LYS 31 1HD LYS 31 7.183 -0.689 -0.003 243 HE2 LYS 31 2HE LYS 31 8.350 0.751 -2.387 244 HE3 LYS 31 1HE LYS 31 9.008 -0.693 -1.625 245 HZ1 LYS 31 1HZ LYS 31 6.400 -0.470 -3.026 246 HZ2 LYS 31 2HZ LYS 31 6.890 -1.833 -2.212 247 HZ3 LYS 31 3HZ LYS 31 7.750 -1.313 -3.566 248 H TYR 32 H TYR 32 5.482 4.115 -0.435 249 HA TYR 32 HA TYR 32 3.864 4.735 -2.732 250 HB2 TYR 32 2HB TYR 32 6.456 5.920 -1.692 251 HB3 TYR 32 1HB TYR 32 5.534 6.548 -3.048 252 HD1 TYR 32 1HD TYR 32 3.861 8.134 -2.684 253 HD2 TYR 32 2HD TYR 32 5.271 5.855 0.619 254 HE1 TYR 32 1HE TYR 32 2.543 9.522 -1.174 255 HE2 TYR 32 2HE TYR 32 3.947 7.244 2.149 256 HH TYR 32 HH TYR 32 1.524 9.307 1.058 257 H VAL 33 H VAL 33 4.491 4.392 -4.826 258 HA VAL 33 HA VAL 33 6.470 2.388 -5.319 259 HB VAL 33 HB VAL 33 5.076 4.198 -7.340 260 HG11 VAL 33 1HG1 VAL 33 6.452 1.534 -7.723 261 HG12 VAL 33 2HG1 VAL 33 7.043 3.096 -8.291 262 HG13 VAL 33 3HG1 VAL 33 5.562 2.411 -8.967 263 HG21 VAL 33 1HG2 VAL 33 3.468 2.959 -5.991 264 HG22 VAL 33 2HG2 VAL 33 4.295 1.447 -6.377 265 HG23 VAL 33 3HG2 VAL 33 3.494 2.369 -7.650 266 H PHE 34 H PHE 34 6.442 5.753 -5.032 267 HA PHE 34 HA PHE 34 9.087 6.050 -6.205 268 HB2 PHE 34 2HB PHE 34 7.343 8.141 -4.881 269 HB3 PHE 34 1HB PHE 34 8.787 8.433 -5.838 270 HD1 PHE 34 1HD PHE 34 5.354 8.613 -5.844 271 HD2 PHE 34 2HD PHE 34 8.576 7.334 -8.305 272 HE1 PHE 34 1HE PHE 34 3.936 8.884 -7.829 273 HE2 PHE 34 2HE PHE 34 7.168 7.603 -10.295 274 HZ PHE 34 HZ PHE 34 4.848 8.382 -10.065 Start of MODEL 2 1 H1 ASP 1 1HT ASP 1 -7.643 13.266 0.504 2 H2 ASP 1 2HT ASP 1 -6.926 14.192 1.761 3 H3 ASP 1 3HT ASP 1 -7.741 12.753 2.090 4 HA ASP 1 HA ASP 1 -5.338 12.822 0.433 5 HB2 ASP 1 2HB ASP 1 -5.687 11.963 3.318 6 HB3 ASP 1 1HB ASP 1 -4.236 11.731 2.356 7 H CYS 2 H CYS 2 -4.946 10.862 -0.506 8 HA CYS 2 HA CYS 2 -6.977 8.876 -0.098 9 HB2 CYS 2 2HB CYS 2 -5.763 7.758 -2.052 10 HB3 CYS 2 1HB CYS 2 -6.617 9.255 -2.392 11 H LEU 3 H LEU 3 -6.224 6.519 0.046 12 HA LEU 3 HA LEU 3 -4.847 6.369 2.486 13 HB2 LEU 3 2HB LEU 3 -5.589 4.130 0.630 14 HB3 LEU 3 1HB LEU 3 -5.100 3.950 2.299 15 HG LEU 3 HG LEU 3 -7.600 5.299 1.314 16 HD11 LEU 3 1HD1 LEU 3 -7.215 2.741 2.855 17 HD12 LEU 3 2HD1 LEU 3 -7.714 2.887 1.170 18 HD13 LEU 3 3HD1 LEU 3 -8.767 3.478 2.456 19 HD21 LEU 3 1HD2 LEU 3 -8.206 5.467 3.707 20 HD22 LEU 3 2HD2 LEU 3 -6.812 6.455 3.279 21 HD23 LEU 3 3HD2 LEU 3 -6.581 4.924 4.130 22 H GLY 4 H GLY 4 -2.925 5.884 3.051 23 HA2 GLY 4 2HA GLY 4 -0.961 4.639 1.487 24 HA3 GLY 4 1HA GLY 4 -0.799 6.398 1.402 25 H ALA 5 H ALA 5 0.693 7.079 2.705 26 HA ALA 5 HA ALA 5 2.106 7.314 4.455 27 HB1 ALA 5 1HB ALA 5 1.026 7.815 6.532 28 HB2 ALA 5 2HB ALA 5 -0.443 6.984 6.009 29 HB3 ALA 5 3HB ALA 5 0.074 8.467 5.195 30 H PHE 6 H PHE 6 1.968 4.600 3.606 31 HA PHE 6 HA PHE 6 2.736 2.549 4.154 32 HB2 PHE 6 2HB PHE 6 3.746 3.961 6.630 33 HB3 PHE 6 1HB PHE 6 4.235 2.358 6.099 34 HD1 PHE 6 1HD PHE 6 5.636 2.090 4.129 35 HD2 PHE 6 2HD PHE 6 4.584 5.936 5.600 36 HE1 PHE 6 1HE PHE 6 7.447 3.085 2.812 37 HE2 PHE 6 2HE PHE 6 6.395 6.939 4.278 38 HZ PHE 6 HZ PHE 6 7.830 5.512 2.884 39 H ARG 7 H ARG 7 -0.003 3.190 4.933 40 HA ARG 7 HA ARG 7 -0.312 1.901 7.482 41 HB2 ARG 7 2HB ARG 7 -2.377 2.753 5.451 42 HB3 ARG 7 1HB ARG 7 -2.759 2.050 7.014 43 HG2 ARG 7 2HG ARG 7 -1.308 4.660 6.563 44 HG3 ARG 7 1HG ARG 7 -2.998 4.485 7.021 45 HD2 ARG 7 2HD ARG 7 -1.823 5.002 9.024 46 HD3 ARG 7 1HD ARG 7 -2.185 3.283 9.095 47 HE ARG 7 HE ARG 7 0.433 4.064 8.097 48 HH11 ARG 7 1HH1 ARG 7 -1.463 2.745 10.804 49 HH12 ARG 7 2HH1 ARG 7 -0.118 2.212 11.687 50 HH21 ARG 7 1HH2 ARG 7 2.328 3.294 9.364 51 HH22 ARG 7 2HH2 ARG 7 2.058 2.583 10.878 52 H LYS 8 H LYS 8 -1.334 -0.075 7.835 53 HA LYS 8 HA LYS 8 -0.234 -2.040 6.136 54 HB2 LYS 8 2HB LYS 8 -1.945 -2.263 8.592 55 HB3 LYS 8 1HB LYS 8 -1.277 -3.651 7.739 56 HG2 LYS 8 2HG LYS 8 0.972 -2.835 8.110 57 HG3 LYS 8 1HG LYS 8 0.335 -1.401 8.912 58 HD2 LYS 8 2HD LYS 8 -0.595 -2.766 10.676 59 HD3 LYS 8 1HD LYS 8 -0.079 -4.235 9.841 60 HE2 LYS 8 2HE LYS 8 2.238 -3.597 10.077 61 HE3 LYS 8 1HE LYS 8 1.768 -2.066 10.811 62 HZ1 LYS 8 1HZ LYS 8 0.854 -3.264 12.669 63 HZ2 LYS 8 2HZ LYS 8 2.454 -3.723 12.450 64 HZ3 LYS 8 3HZ LYS 8 1.223 -4.747 11.957 65 H CYS 9 H CYS 9 -1.050 -3.365 4.739 66 HA CYS 9 HA CYS 9 -3.910 -3.214 4.161 67 HB2 CYS 9 2HB CYS 9 -3.205 -3.215 1.712 68 HB3 CYS 9 1HB CYS 9 -2.990 -1.709 2.602 69 H ILE 10 H ILE 10 -4.698 -5.018 2.905 70 HA ILE 10 HA ILE 10 -3.105 -7.466 3.122 71 HB ILE 10 HB ILE 10 -5.993 -7.036 2.243 72 HG12 ILE 10 2HG1 ILE 10 -5.710 -6.585 4.629 73 HG13 ILE 10 1HG1 ILE 10 -6.643 -8.053 4.386 74 HG21 ILE 10 1HG2 ILE 10 -6.252 -9.479 2.391 75 HG22 ILE 10 2HG2 ILE 10 -4.531 -9.630 2.746 76 HG23 ILE 10 3HG2 ILE 10 -5.056 -9.012 1.180 77 HD11 ILE 10 1HD1 ILE 10 -5.065 -8.301 6.218 78 HD12 ILE 10 2HD1 ILE 10 -3.727 -7.908 5.137 79 HD13 ILE 10 3HD1 ILE 10 -4.653 -9.390 4.893 80 HA PRO 11 HA PRO 11 -1.469 -6.206 -0.834 81 HB2 PRO 11 2HB PRO 11 -1.108 -9.144 -1.075 82 HB3 PRO 11 1HB PRO 11 0.048 -7.846 -1.422 83 HG2 PRO 11 2HG PRO 11 0.264 -9.211 0.821 84 HG3 PRO 11 1HG PRO 11 0.448 -7.445 0.843 85 HD2 PRO 11 2HD PRO 11 -1.847 -9.120 1.751 86 HD3 PRO 11 1HD PRO 11 -1.198 -7.610 2.424 87 H ASP 12 H ASP 12 -3.593 -9.022 -0.811 88 HA ASP 12 HA ASP 12 -4.145 -8.694 -3.647 89 HB2 ASP 12 2HB ASP 12 -5.043 -10.767 -1.657 90 HB3 ASP 12 1HB ASP 12 -5.665 -10.711 -3.298 91 H ASN 13 H ASN 13 -5.368 -7.174 -1.023 92 HA ASN 13 HA ASN 13 -7.934 -6.615 -2.358 93 HB2 ASN 13 2HB ASN 13 -7.675 -7.396 0.567 94 HB3 ASN 13 1HB ASN 13 -9.136 -6.782 -0.187 95 HD21 ASN 13 1HD2 ASN 13 -10.269 -8.121 -1.576 96 HD22 ASN 13 2HD2 ASN 13 -10.027 -9.835 -1.613 97 H ASP 14 H ASP 14 -5.379 -5.252 -1.927 98 HA ASP 14 HA ASP 14 -5.527 -3.609 0.379 99 HB2 ASP 14 2HB ASP 14 -3.514 -2.629 -0.288 100 HB3 ASP 14 1HB ASP 14 -3.413 -4.303 -0.821 101 H LYS 15 H LYS 15 -5.879 -1.487 0.618 102 HA LYS 15 HA LYS 15 -7.000 -0.084 -1.667 103 HB2 LYS 15 2HB LYS 15 -7.774 0.270 1.239 104 HB3 LYS 15 1HB LYS 15 -8.366 1.239 -0.096 105 HG2 LYS 15 2HG LYS 15 -9.407 -0.797 -1.046 106 HG3 LYS 15 1HG LYS 15 -8.914 -1.679 0.401 107 HD2 LYS 15 2HD LYS 15 -10.701 0.754 0.336 108 HD3 LYS 15 1HD LYS 15 -11.254 -0.905 0.533 109 HE2 LYS 15 2HE LYS 15 -9.433 0.587 2.440 110 HE3 LYS 15 1HE LYS 15 -11.155 0.326 2.664 111 HZ1 LYS 15 1HZ LYS 15 -10.756 -2.046 2.728 112 HZ2 LYS 15 2HZ LYS 15 -9.891 -1.268 3.921 113 HZ3 LYS 15 3HZ LYS 15 -9.099 -1.820 2.536 114 H CYS 16 H CYS 16 -5.091 0.777 -2.209 115 HA CYS 16 HA CYS 16 -4.113 2.861 -0.428 116 HB2 CYS 16 2HB CYS 16 -2.376 1.112 -2.227 117 HB3 CYS 16 1HB CYS 16 -1.807 2.419 -1.204 118 H CYS 17 H CYS 17 -3.233 4.629 -1.680 119 HA CYS 17 HA CYS 17 -4.897 5.370 -3.822 120 HB2 CYS 17 2HB CYS 17 -3.819 6.822 -2.067 121 HB3 CYS 17 1HB CYS 17 -2.314 6.627 -2.941 122 H ARG 18 H ARG 18 -4.483 3.678 -5.391 123 HA ARG 18 HA ARG 18 -1.875 3.471 -6.589 124 HB2 ARG 18 2HB ARG 18 -2.968 1.977 -8.286 125 HB3 ARG 18 1HB ARG 18 -3.165 1.444 -6.629 126 HG2 ARG 18 2HG ARG 18 -5.355 3.107 -7.619 127 HG3 ARG 18 1HG ARG 18 -5.118 1.600 -8.513 128 HD2 ARG 18 2HD ARG 18 -5.385 1.816 -5.519 129 HD3 ARG 18 1HD ARG 18 -6.681 1.344 -6.622 130 HE ARG 18 HE ARG 18 -5.224 -0.544 -7.280 131 HH11 ARG 18 1HH1 ARG 18 -4.619 0.956 -4.135 132 HH12 ARG 18 2HH1 ARG 18 -4.031 -0.547 -3.466 133 HH21 ARG 18 1HH2 ARG 18 -4.474 -2.520 -6.263 134 HH22 ARG 18 2HH2 ARG 18 -3.997 -2.484 -4.621 135 HA PRO 19 HA PRO 19 -1.169 2.734 -8.572 136 HB2 PRO 19 2HB PRO 19 0.278 3.338 -10.711 137 HB3 PRO 19 1HB PRO 19 -1.399 2.813 -10.887 138 HG2 PRO 19 2HG PRO 19 -0.233 5.530 -11.161 139 HG3 PRO 19 1HG PRO 19 -1.618 4.809 -11.994 140 HD2 PRO 19 2HD PRO 19 -1.667 6.534 -9.729 141 HD3 PRO 19 1HD PRO 19 -3.046 5.694 -10.464 142 H ASN 20 H ASN 20 -0.770 5.579 -7.346 143 HA ASN 20 HA ASN 20 2.089 5.886 -7.484 144 HB2 ASN 20 2HB ASN 20 0.016 7.337 -5.825 145 HB3 ASN 20 1HB ASN 20 1.735 7.692 -5.755 146 HD21 ASN 20 1HD2 ASN 20 1.362 9.816 -6.437 147 HD22 ASN 20 2HD2 ASN 20 0.984 10.183 -8.077 148 H LEU 21 H LEU 21 -0.281 4.673 -5.229 149 HA LEU 21 HA LEU 21 1.891 3.710 -3.514 150 HB2 LEU 21 2HB LEU 21 -0.917 4.401 -2.645 151 HB3 LEU 21 1HB LEU 21 0.435 3.970 -1.628 152 HG LEU 21 HG LEU 21 0.194 6.532 -3.212 153 HD11 LEU 21 1HD1 LEU 21 0.063 7.617 -1.067 154 HD12 LEU 21 2HD1 LEU 21 0.216 6.059 -0.264 155 HD13 LEU 21 3HD1 LEU 21 -1.234 6.418 -1.202 156 HD21 LEU 21 1HD2 LEU 21 2.240 7.190 -2.056 157 HD22 LEU 21 2HD2 LEU 21 2.482 5.814 -3.127 158 HD23 LEU 21 3HD2 LEU 21 2.371 5.564 -1.382 159 H VAL 22 H VAL 22 1.963 1.609 -3.399 160 HA VAL 22 HA VAL 22 -0.458 0.042 -3.893 161 HB VAL 22 HB VAL 22 0.876 -1.687 -5.071 162 HG11 VAL 22 1HG1 VAL 22 1.030 1.039 -6.337 163 HG12 VAL 22 2HG1 VAL 22 -0.335 -0.078 -6.413 164 HG13 VAL 22 3HG1 VAL 22 1.195 -0.492 -7.194 165 HG21 VAL 22 1HG2 VAL 22 3.068 -1.200 -4.133 166 HG22 VAL 22 2HG2 VAL 22 3.098 0.349 -4.970 167 HG23 VAL 22 3HG2 VAL 22 3.133 -1.152 -5.896 168 H CYS 23 H CYS 23 -0.255 -2.167 -2.975 169 HA CYS 23 HA CYS 23 0.685 -1.860 -0.284 170 HB2 CYS 23 2HB CYS 23 -1.456 -2.988 -0.997 171 HB3 CYS 23 1HB CYS 23 -0.474 -4.317 -1.590 172 H SER 24 H SER 24 2.537 -2.597 0.535 173 HA SER 24 HA SER 24 4.482 -3.992 -1.046 174 HB2 SER 24 2HB SER 24 5.154 -2.393 0.745 175 HB3 SER 24 1HB SER 24 4.373 -3.411 1.946 176 HG SER 24 HG SER 24 6.808 -3.634 0.727 177 H ARG 25 H ARG 25 4.462 -6.206 -1.315 178 HA ARG 25 HA ARG 25 2.389 -7.622 -0.001 179 HB2 ARG 25 2HB ARG 25 3.018 -9.594 -1.228 180 HB3 ARG 25 1HB ARG 25 3.016 -8.206 -2.296 181 HG2 ARG 25 2HG ARG 25 5.428 -8.138 -2.272 182 HG3 ARG 25 1HG ARG 25 5.474 -9.436 -1.072 183 HD2 ARG 25 2HD ARG 25 4.286 -10.884 -2.669 184 HD3 ARG 25 1HD ARG 25 4.412 -9.608 -3.881 185 HE ARG 25 HE ARG 25 6.954 -10.016 -3.080 186 HH11 ARG 25 1HH1 ARG 25 4.411 -12.109 -4.343 187 HH12 ARG 25 2HH1 ARG 25 5.455 -13.244 -5.049 188 HH21 ARG 25 1HH2 ARG 25 8.433 -11.562 -4.064 189 HH22 ARG 25 2HH2 ARG 25 7.823 -12.919 -4.889 190 H LEU 26 H LEU 26 5.833 -7.444 0.595 191 HA LEU 26 HA LEU 26 5.755 -9.650 2.442 192 HB2 LEU 26 2HB LEU 26 7.801 -9.159 1.226 193 HB3 LEU 26 1HB LEU 26 7.879 -7.570 1.961 194 HG LEU 26 HG LEU 26 8.182 -8.667 4.173 195 HD11 LEU 26 1HD1 LEU 26 8.833 -11.024 4.236 196 HD12 LEU 26 2HD1 LEU 26 8.419 -11.177 2.528 197 HD13 LEU 26 3HD1 LEU 26 7.164 -10.809 3.710 198 HD21 LEU 26 1HD2 LEU 26 10.509 -9.310 3.785 199 HD22 LEU 26 2HD2 LEU 26 10.086 -7.831 2.924 200 HD23 LEU 26 3HD2 LEU 26 10.204 -9.358 2.048 201 H HIS 27 H HIS 27 5.971 -6.134 2.728 202 HA HIS 27 HA HIS 27 6.022 -6.327 5.622 203 HB2 HIS 27 2HB HIS 27 6.130 -3.953 3.775 204 HB3 HIS 27 1HB HIS 27 6.280 -3.846 5.519 205 HD1 HIS 27 1HD HIS 27 8.583 -4.534 6.541 206 HD2 HIS 27 2HD HIS 27 8.318 -5.009 2.419 207 HE1 HIS 27 1HE HIS 27 10.938 -4.925 5.736 208 H ARG 28 H ARG 28 3.742 -5.875 3.191 209 HA ARG 28 HA ARG 28 1.670 -5.323 3.009 210 HB2 ARG 28 2HB ARG 28 1.419 -6.483 5.778 211 HB3 ARG 28 1HB ARG 28 0.047 -6.030 4.778 212 HG2 ARG 28 2HG ARG 28 0.153 -8.223 4.236 213 HG3 ARG 28 1HG ARG 28 1.294 -7.609 3.046 214 HD2 ARG 28 2HD ARG 28 2.308 -9.492 4.051 215 HD3 ARG 28 1HD ARG 28 3.112 -8.069 4.717 216 HE ARG 28 HE ARG 28 0.921 -8.855 6.303 217 HH11 ARG 28 1HH1 ARG 28 4.350 -9.527 5.713 218 HH12 ARG 28 2HH1 ARG 28 4.555 -10.461 7.112 219 HH21 ARG 28 1HH2 ARG 28 1.225 -10.103 8.275 220 HH22 ARG 28 2HH2 ARG 28 2.748 -10.781 8.599 221 H TRP 29 H TRP 29 2.599 -3.161 2.975 222 HA TRP 29 HA TRP 29 0.653 -1.556 4.297 223 HB2 TRP 29 2HB TRP 29 2.203 0.154 5.126 224 HB3 TRP 29 1HB TRP 29 2.497 -1.378 5.916 225 HD1 TRP 29 HD TRP 29 4.047 0.304 2.731 226 HE1 TRP 29 1HE TRP 29 6.609 0.175 2.964 227 HE3 TRP 29 3HE TRP 29 4.340 -2.044 7.241 228 HZ2 TRP 29 2HZ TRP 29 8.487 -0.750 4.805 229 HZ3 TRP 29 3HZ TRP 29 6.567 -2.500 8.181 230 HH2 TRP 29 HH TRP 29 8.594 -1.864 6.984 231 H CYS 30 H CYS 30 0.508 0.563 3.334 232 HA CYS 30 HA CYS 30 0.752 0.413 0.503 233 HB2 CYS 30 2HB CYS 30 0.144 2.785 2.270 234 HB3 CYS 30 1HB CYS 30 -0.096 2.756 0.536 235 H LYS 31 H LYS 31 2.663 0.505 -0.444 236 HA LYS 31 HA LYS 31 4.759 2.204 0.670 237 HB2 LYS 31 2HB LYS 31 6.343 0.901 -0.627 238 HB3 LYS 31 1HB LYS 31 5.345 -0.180 0.328 239 HG2 LYS 31 2HG LYS 31 4.097 -0.835 -1.634 240 HG3 LYS 31 1HG LYS 31 4.921 0.386 -2.608 241 HD2 LYS 31 2HD LYS 31 7.080 -0.775 -2.084 242 HD3 LYS 31 1HD LYS 31 6.138 -2.052 -1.318 243 HE2 LYS 31 2HE LYS 31 5.747 -1.208 -4.184 244 HE3 LYS 31 1HE LYS 31 6.880 -2.461 -3.706 245 HZ1 LYS 31 1HZ LYS 31 5.068 -3.785 -2.891 246 HZ2 LYS 31 2HZ LYS 31 4.764 -3.346 -4.467 247 HZ3 LYS 31 3HZ LYS 31 3.914 -2.599 -3.238 248 H TYR 32 H TYR 32 6.046 3.421 -0.798 249 HA TYR 32 HA TYR 32 4.377 4.756 -2.739 250 HB2 TYR 32 2HB TYR 32 7.065 5.448 -1.521 251 HB3 TYR 32 1HB TYR 32 6.273 6.430 -2.747 252 HD1 TYR 32 1HD TYR 32 5.644 4.988 0.666 253 HD2 TYR 32 2HD TYR 32 4.843 8.147 -2.065 254 HE1 TYR 32 1HE TYR 32 4.374 6.154 2.396 255 HE2 TYR 32 2HE TYR 32 3.566 9.322 -0.336 256 HH TYR 32 HH TYR 32 3.670 8.538 2.907 257 H VAL 33 H VAL 33 4.591 4.573 -4.860 258 HA VAL 33 HA VAL 33 6.721 2.889 -5.930 259 HB VAL 33 HB VAL 33 4.338 4.115 -7.367 260 HG11 VAL 33 1HG1 VAL 33 4.766 2.426 -9.090 261 HG12 VAL 33 2HG1 VAL 33 6.192 1.892 -8.206 262 HG13 VAL 33 3HG1 VAL 33 6.136 3.517 -8.890 263 HG21 VAL 33 1HG2 VAL 33 3.595 2.601 -5.626 264 HG22 VAL 33 2HG2 VAL 33 4.670 1.345 -6.241 265 HG23 VAL 33 3HG2 VAL 33 3.312 1.900 -7.219 266 H PHE 34 H PHE 34 5.703 6.178 -5.805 267 HA PHE 34 HA PHE 34 7.833 6.924 -7.656 268 HB2 PHE 34 2HB PHE 34 5.360 8.487 -6.841 269 HB3 PHE 34 1HB PHE 34 6.625 9.090 -7.897 270 HD1 PHE 34 1HD PHE 34 3.896 6.669 -7.578 271 HD2 PHE 34 2HD PHE 34 6.674 8.495 -10.203 272 HE1 PHE 34 1HE PHE 34 2.663 5.743 -9.516 273 HE2 PHE 34 2HE PHE 34 5.467 7.580 -12.139 274 HZ PHE 34 HZ PHE 34 3.461 6.201 -11.796 Start of MODEL 3 1 H1 ASP 1 1HT ASP 1 -10.800 10.316 0.254 2 H2 ASP 1 2HT ASP 1 -10.450 8.660 0.136 3 H3 ASP 1 3HT ASP 1 -9.866 9.720 -1.015 4 HA ASP 1 HA ASP 1 -8.485 10.803 0.585 5 HB2 ASP 1 2HB ASP 1 -9.783 10.445 2.609 6 HB3 ASP 1 1HB ASP 1 -9.603 8.700 2.458 7 H CYS 2 H CYS 2 -6.526 10.294 0.023 8 HA CYS 2 HA CYS 2 -6.003 7.747 -1.098 9 HB2 CYS 2 2HB CYS 2 -4.488 10.291 -0.864 10 HB3 CYS 2 1HB CYS 2 -3.582 8.843 -1.261 11 H LEU 3 H LEU 3 -5.828 6.101 0.158 12 HA LEU 3 HA LEU 3 -4.637 6.176 2.733 13 HB2 LEU 3 2HB LEU 3 -5.235 3.808 0.967 14 HB3 LEU 3 1HB LEU 3 -4.882 3.742 2.674 15 HG LEU 3 HG LEU 3 -7.344 5.029 1.478 16 HD11 LEU 3 1HD1 LEU 3 -8.556 3.128 2.389 17 HD12 LEU 3 2HD1 LEU 3 -7.046 2.411 2.937 18 HD13 LEU 3 3HD1 LEU 3 -7.356 2.598 1.209 19 HD21 LEU 3 1HD2 LEU 3 -6.682 6.054 3.574 20 HD22 LEU 3 2HD2 LEU 3 -6.576 4.467 4.338 21 HD23 LEU 3 3HD2 LEU 3 -8.136 5.083 3.792 22 H GLY 4 H GLY 4 -2.638 5.858 3.243 23 HA2 GLY 4 2HA GLY 4 -0.688 4.514 1.713 24 HA3 GLY 4 1HA GLY 4 -0.586 6.269 1.516 25 H ALA 5 H ALA 5 1.101 6.861 2.656 26 HA ALA 5 HA ALA 5 2.409 7.357 4.418 27 HB1 ALA 5 1HB ALA 5 1.255 8.014 6.442 28 HB2 ALA 5 2HB ALA 5 -0.191 7.149 5.921 29 HB3 ALA 5 3HB ALA 5 0.369 8.558 5.017 30 H PHE 6 H PHE 6 2.160 4.504 3.840 31 HA PHE 6 HA PHE 6 3.063 2.572 4.569 32 HB2 PHE 6 2HB PHE 6 3.779 4.020 7.148 33 HB3 PHE 6 1HB PHE 6 4.398 2.461 6.641 34 HD1 PHE 6 1HD PHE 6 5.925 2.382 4.617 35 HD2 PHE 6 2HD PHE 6 4.802 6.018 6.509 36 HE1 PHE 6 1HE PHE 6 7.859 3.524 3.587 37 HE2 PHE 6 2HE PHE 6 6.717 7.159 5.486 38 HZ PHE 6 HZ PHE 6 8.252 5.913 4.018 39 H ARG 7 H ARG 7 0.217 3.375 5.172 40 HA ARG 7 HA ARG 7 -0.387 2.030 7.658 41 HB2 ARG 7 2HB ARG 7 -2.203 2.974 5.429 42 HB3 ARG 7 1HB ARG 7 -2.785 2.168 6.872 43 HG2 ARG 7 2HG ARG 7 -1.383 4.834 6.742 44 HG3 ARG 7 1HG ARG 7 -3.095 4.555 7.061 45 HD2 ARG 7 2HD ARG 7 -0.761 3.763 8.808 46 HD3 ARG 7 1HD ARG 7 -1.968 4.997 9.141 47 HE ARG 7 HE ARG 7 -3.388 2.687 8.821 48 HH11 ARG 7 1HH1 ARG 7 -0.865 3.841 11.031 49 HH12 ARG 7 2HH1 ARG 7 -1.213 2.730 12.260 50 HH21 ARG 7 1HH2 ARG 7 -3.914 1.194 10.537 51 HH22 ARG 7 2HH2 ARG 7 -3.009 1.176 11.983 52 H LYS 8 H LYS 8 -1.034 -0.023 7.972 53 HA LYS 8 HA LYS 8 -0.228 -1.846 5.944 54 HB2 LYS 8 2HB LYS 8 -1.462 -2.396 8.642 55 HB3 LYS 8 1HB LYS 8 -0.795 -3.615 7.567 56 HG2 LYS 8 2HG LYS 8 1.400 -2.443 7.714 57 HG3 LYS 8 1HG LYS 8 0.690 -1.395 8.945 58 HD2 LYS 8 2HD LYS 8 0.185 -3.401 10.297 59 HD3 LYS 8 1HD LYS 8 0.975 -4.390 9.072 60 HE2 LYS 8 2HE LYS 8 2.524 -3.994 10.876 61 HE3 LYS 8 1HE LYS 8 3.066 -3.127 9.444 62 HZ1 LYS 8 1HZ LYS 8 1.646 -1.935 11.771 63 HZ2 LYS 8 2HZ LYS 8 2.088 -1.098 10.390 64 HZ3 LYS 8 3HZ LYS 8 3.269 -1.741 11.382 65 H CYS 9 H CYS 9 -1.414 -3.238 4.782 66 HA CYS 9 HA CYS 9 -4.303 -2.994 4.859 67 HB2 CYS 9 2HB CYS 9 -4.290 -2.583 2.381 68 HB3 CYS 9 1HB CYS 9 -3.662 -1.249 3.349 69 H ILE 10 H ILE 10 -5.135 -4.524 2.974 70 HA ILE 10 HA ILE 10 -3.841 -7.067 3.462 71 HB ILE 10 HB ILE 10 -6.522 -6.395 2.190 72 HG12 ILE 10 2HG1 ILE 10 -5.874 -7.426 4.961 73 HG13 ILE 10 1HG1 ILE 10 -6.392 -5.790 4.569 74 HG21 ILE 10 1HG2 ILE 10 -7.033 -8.768 2.458 75 HG22 ILE 10 2HG2 ILE 10 -5.404 -9.049 3.074 76 HG23 ILE 10 3HG2 ILE 10 -5.635 -8.513 1.410 77 HD11 ILE 10 1HD1 ILE 10 -8.539 -6.664 3.805 78 HD12 ILE 10 2HD1 ILE 10 -8.210 -7.110 5.479 79 HD13 ILE 10 3HD1 ILE 10 -8.008 -8.299 4.194 80 HA PRO 11 HA PRO 11 -2.024 -6.489 -0.691 81 HB2 PRO 11 2HB PRO 11 -0.933 -9.183 -0.286 82 HB3 PRO 11 1HB PRO 11 -0.075 -7.659 -0.513 83 HG2 PRO 11 2HG PRO 11 -0.139 -8.954 1.850 84 HG3 PRO 11 1HG PRO 11 -0.056 -7.181 1.737 85 HD2 PRO 11 2HD PRO 11 -2.383 -8.955 2.354 86 HD3 PRO 11 1HD PRO 11 -1.928 -7.379 3.043 87 H ASP 12 H ASP 12 -4.159 -8.791 0.396 88 HA ASP 12 HA ASP 12 -4.511 -10.314 -2.028 89 HB2 ASP 12 2HB ASP 12 -6.426 -9.976 0.308 90 HB3 ASP 12 1HB ASP 12 -6.602 -11.129 -0.995 91 H ASN 13 H ASN 13 -5.386 -7.232 -0.987 92 HA ASN 13 HA ASN 13 -6.581 -6.570 -3.411 93 HB2 ASN 13 2HB ASN 13 -8.792 -5.709 -2.482 94 HB3 ASN 13 1HB ASN 13 -8.675 -7.453 -2.593 95 HD21 ASN 13 1HD2 ASN 13 -8.696 -8.664 -0.710 96 HD22 ASN 13 2HD2 ASN 13 -9.123 -8.005 0.823 97 H ASP 14 H ASP 14 -4.951 -5.244 -3.474 98 HA ASP 14 HA ASP 14 -4.108 -3.477 -1.506 99 HB2 ASP 14 2HB ASP 14 -2.947 -2.190 -3.292 100 HB3 ASP 14 1HB ASP 14 -2.650 -3.916 -3.384 101 H LYS 15 H LYS 15 -5.028 -1.912 -0.562 102 HA LYS 15 HA LYS 15 -6.805 -0.180 -2.099 103 HB2 LYS 15 2HB LYS 15 -7.109 -1.011 0.794 104 HB3 LYS 15 1HB LYS 15 -8.057 0.251 0.024 105 HG2 LYS 15 2HG LYS 15 -8.951 -1.370 -1.550 106 HG3 LYS 15 1HG LYS 15 -8.004 -2.648 -0.784 107 HD2 LYS 15 2HD LYS 15 -9.228 -2.302 1.286 108 HD3 LYS 15 1HD LYS 15 -10.129 -0.980 0.539 109 HE2 LYS 15 2HE LYS 15 -11.049 -2.534 -1.108 110 HE3 LYS 15 1HE LYS 15 -10.148 -3.855 -0.370 111 HZ1 LYS 15 1HZ LYS 15 -12.432 -3.816 0.372 112 HZ2 LYS 15 2HZ LYS 15 -12.245 -2.247 0.971 113 HZ3 LYS 15 3HZ LYS 15 -11.386 -3.527 1.654 114 H CYS 16 H CYS 16 -5.198 1.184 -2.588 115 HA CYS 16 HA CYS 16 -4.299 2.940 -0.471 116 HB2 CYS 16 2HB CYS 16 -2.381 1.724 -2.480 117 HB3 CYS 16 1HB CYS 16 -1.985 2.833 -1.180 118 H CYS 17 H CYS 17 -3.125 4.808 -1.676 119 HA CYS 17 HA CYS 17 -4.785 5.644 -3.858 120 HB2 CYS 17 2HB CYS 17 -3.874 7.129 -2.070 121 HB3 CYS 17 1HB CYS 17 -2.276 6.948 -2.776 122 H ARG 18 H ARG 18 -4.290 3.903 -5.201 123 HA ARG 18 HA ARG 18 -1.641 3.523 -6.266 124 HB2 ARG 18 2HB ARG 18 -2.754 1.684 -7.580 125 HB3 ARG 18 1HB ARG 18 -2.921 1.550 -5.836 126 HG2 ARG 18 2HG ARG 18 -5.185 2.486 -6.017 127 HG3 ARG 18 1HG ARG 18 -5.000 2.534 -7.770 128 HD2 ARG 18 2HD ARG 18 -4.680 0.125 -7.803 129 HD3 ARG 18 1HD ARG 18 -4.836 0.072 -6.048 130 HE ARG 18 HE ARG 18 -7.045 1.270 -7.437 131 HH11 ARG 18 1HH1 ARG 18 -5.724 -1.726 -6.047 132 HH12 ARG 18 2HH1 ARG 18 -7.224 -2.525 -6.027 133 HH21 ARG 18 1HH2 ARG 18 -9.079 0.182 -7.373 134 HH22 ARG 18 2HH2 ARG 18 -9.195 -1.416 -6.803 135 HA PRO 19 HA PRO 19 -0.989 2.411 -8.157 136 HB2 PRO 19 2HB PRO 19 0.627 2.793 -10.234 137 HB3 PRO 19 1HB PRO 19 -1.021 2.200 -10.470 138 HG2 PRO 19 2HG PRO 19 0.091 4.931 -10.917 139 HG3 PRO 19 1HG PRO 19 -1.130 4.052 -11.849 140 HD2 PRO 19 2HD PRO 19 -1.636 6.011 -9.905 141 HD3 PRO 19 1HD PRO 19 -2.825 4.869 -10.559 142 H ASN 20 H ASN 20 -0.634 5.490 -7.387 143 HA ASN 20 HA ASN 20 2.187 5.892 -7.321 144 HB2 ASN 20 2HB ASN 20 -0.038 7.222 -5.763 145 HB3 ASN 20 1HB ASN 20 1.643 7.731 -5.697 146 HD21 ASN 20 1HD2 ASN 20 -0.763 9.127 -6.623 147 HD22 ASN 20 2HD2 ASN 20 -0.450 9.585 -8.248 148 H LEU 21 H LEU 21 -0.154 4.647 -5.044 149 HA LEU 21 HA LEU 21 2.028 3.678 -3.319 150 HB2 LEU 21 2HB LEU 21 -0.744 4.424 -2.379 151 HB3 LEU 21 1HB LEU 21 0.673 4.093 -1.405 152 HG LEU 21 HG LEU 21 0.238 6.551 -3.090 153 HD11 LEU 21 1HD1 LEU 21 0.366 6.164 -0.135 154 HD12 LEU 21 2HD1 LEU 21 -1.120 6.433 -1.050 155 HD13 LEU 21 3HD1 LEU 21 0.116 7.698 -0.966 156 HD21 LEU 21 1HD2 LEU 21 2.276 7.363 -2.045 157 HD22 LEU 21 2HD2 LEU 21 2.574 5.931 -3.028 158 HD23 LEU 21 3HD2 LEU 21 2.507 5.798 -1.269 159 H VAL 22 H VAL 22 1.724 1.513 -2.707 160 HA VAL 22 HA VAL 22 -0.794 0.239 -3.341 161 HB VAL 22 HB VAL 22 0.567 0.157 -5.451 162 HG11 VAL 22 1HG1 VAL 22 2.781 0.028 -4.563 163 HG12 VAL 22 2HG1 VAL 22 2.483 -1.352 -5.621 164 HG13 VAL 22 3HG1 VAL 22 2.451 -1.558 -3.868 165 HG21 VAL 22 1HG2 VAL 22 0.247 -2.246 -5.921 166 HG22 VAL 22 2HG2 VAL 22 -1.141 -1.531 -5.097 167 HG23 VAL 22 3HG2 VAL 22 0.001 -2.530 -4.197 168 H CYS 23 H CYS 23 -1.032 -1.863 -2.271 169 HA CYS 23 HA CYS 23 0.283 -2.123 0.144 170 HB2 CYS 23 2HB CYS 23 -1.452 -3.956 -1.489 171 HB3 CYS 23 1HB CYS 23 -0.864 -4.335 0.118 172 H SER 24 H SER 24 2.350 -2.641 0.226 173 HA SER 24 HA SER 24 3.691 -4.286 -1.640 174 HB2 SER 24 2HB SER 24 4.869 -2.701 -0.281 175 HB3 SER 24 1HB SER 24 4.273 -3.477 1.187 176 HG SER 24 HG SER 24 6.077 -4.600 -0.724 177 H ARG 25 H ARG 25 3.867 -6.477 -1.654 178 HA ARG 25 HA ARG 25 2.149 -8.040 0.003 179 HB2 ARG 25 2HB ARG 25 3.030 -9.972 -1.182 180 HB3 ARG 25 1HB ARG 25 2.725 -8.684 -2.338 181 HG2 ARG 25 2HG ARG 25 5.087 -8.142 -2.385 182 HG3 ARG 25 1HG ARG 25 5.417 -9.379 -1.180 183 HD2 ARG 25 2HD ARG 25 4.512 -11.057 -2.795 184 HD3 ARG 25 1HD ARG 25 4.418 -9.757 -3.991 185 HE ARG 25 HE ARG 25 6.971 -10.152 -2.695 186 HH11 ARG 25 1HH1 ARG 25 5.016 -10.766 -5.580 187 HH12 ARG 25 2HH1 ARG 25 6.339 -11.228 -6.533 188 HH21 ARG 25 1HH2 ARG 25 8.775 -10.760 -4.024 189 HH22 ARG 25 2HH2 ARG 25 8.505 -11.232 -5.647 190 H LEU 26 H LEU 26 5.446 -7.028 0.159 191 HA LEU 26 HA LEU 26 6.108 -8.998 2.190 192 HB2 LEU 26 2HB LEU 26 7.734 -8.521 0.432 193 HB3 LEU 26 1HB LEU 26 7.780 -6.842 0.925 194 HG LEU 26 HG LEU 26 8.690 -7.557 3.124 195 HD11 LEU 26 1HD1 LEU 26 9.617 -9.807 3.341 196 HD12 LEU 26 2HD1 LEU 26 8.871 -10.259 1.809 197 HD13 LEU 26 3HD1 LEU 26 7.861 -9.831 3.190 198 HD21 LEU 26 1HD2 LEU 26 10.261 -8.412 0.713 199 HD22 LEU 26 2HD2 LEU 26 10.926 -8.021 2.301 200 HD23 LEU 26 3HD2 LEU 26 10.137 -6.769 1.340 201 H HIS 27 H HIS 27 5.890 -5.461 1.837 202 HA HIS 27 HA HIS 27 6.512 -5.061 4.622 203 HB2 HIS 27 2HB HIS 27 5.586 -3.068 2.525 204 HB3 HIS 27 1HB HIS 27 6.011 -2.650 4.171 205 HD1 HIS 27 1HD HIS 27 8.377 -1.873 4.442 206 HD2 HIS 27 2HD HIS 27 7.879 -4.284 1.095 207 HE1 HIS 27 1HE HIS 27 10.595 -1.864 3.246 208 H ARG 28 H ARG 28 3.686 -5.572 2.762 209 HA ARG 28 HA ARG 28 1.545 -5.941 3.276 210 HB2 ARG 28 2HB ARG 28 2.368 -5.742 6.178 211 HB3 ARG 28 1HB ARG 28 0.901 -6.486 5.554 212 HG2 ARG 28 2HG ARG 28 2.253 -8.158 4.393 213 HG3 ARG 28 1HG ARG 28 3.711 -7.414 5.038 214 HD2 ARG 28 2HD ARG 28 2.845 -7.849 7.323 215 HD3 ARG 28 1HD ARG 28 1.504 -8.735 6.591 216 HE ARG 28 HE ARG 28 4.293 -9.463 6.101 217 HH11 ARG 28 1HH1 ARG 28 1.039 -10.399 7.105 218 HH12 ARG 28 2HH1 ARG 28 1.411 -12.058 7.241 219 HH21 ARG 28 1HH2 ARG 28 4.804 -11.716 6.277 220 HH22 ARG 28 2HH2 ARG 28 3.611 -12.834 6.739 221 H TRP 29 H TRP 29 2.782 -3.170 3.249 222 HA TRP 29 HA TRP 29 0.354 -1.840 4.134 223 HB2 TRP 29 2HB TRP 29 1.592 0.053 5.071 224 HB3 TRP 29 1HB TRP 29 1.923 -1.424 5.941 225 HD1 TRP 29 HD TRP 29 3.726 0.407 2.980 226 HE1 TRP 29 1HE TRP 29 6.252 0.522 3.574 227 HE3 TRP 29 3HE TRP 29 3.617 -1.944 7.504 228 HZ2 TRP 29 2HZ TRP 29 7.930 -0.247 5.681 229 HZ3 TRP 29 3HZ TRP 29 5.727 -2.206 8.754 230 HH2 TRP 29 HH TRP 29 7.828 -1.375 7.854 231 H CYS 30 H CYS 30 0.155 0.327 3.335 232 HA CYS 30 HA CYS 30 0.560 0.432 0.525 233 HB2 CYS 30 2HB CYS 30 -0.328 2.487 2.541 234 HB3 CYS 30 1HB CYS 30 -0.318 2.786 0.817 235 H LYS 31 H LYS 31 2.651 0.520 -0.030 236 HA LYS 31 HA LYS 31 4.325 2.453 1.369 237 HB2 LYS 31 2HB LYS 31 6.245 1.302 0.562 238 HB3 LYS 31 1HB LYS 31 5.154 0.093 1.201 239 HG2 LYS 31 2HG LYS 31 4.489 -0.523 -1.063 240 HG3 LYS 31 1HG LYS 31 5.533 0.738 -1.720 241 HD2 LYS 31 2HD LYS 31 6.483 -1.609 -0.061 242 HD3 LYS 31 1HD LYS 31 6.584 -1.511 -1.821 243 HE2 LYS 31 2HE LYS 31 7.949 0.353 0.143 244 HE3 LYS 31 1HE LYS 31 8.705 -1.005 -0.667 245 HZ1 LYS 31 1HZ LYS 31 8.293 0.101 -2.802 246 HZ2 LYS 31 2HZ LYS 31 9.254 0.977 -1.782 247 HZ3 LYS 31 3HZ LYS 31 7.675 1.472 -2.013 248 H TYR 32 H TYR 32 5.857 3.629 0.014 249 HA TYR 32 HA TYR 32 4.435 4.838 -2.170 250 HB2 TYR 32 2HB TYR 32 7.141 5.462 -0.951 251 HB3 TYR 32 1HB TYR 32 6.289 6.460 -2.120 252 HD1 TYR 32 1HD TYR 32 4.369 7.783 -1.441 253 HD2 TYR 32 2HD TYR 32 6.453 5.422 1.402 254 HE1 TYR 32 1HE TYR 32 3.233 8.976 0.368 255 HE2 TYR 32 2HE TYR 32 5.331 6.602 3.222 256 HH TYR 32 HH TYR 32 4.240 8.842 3.562 257 H VAL 33 H VAL 33 4.759 4.176 -4.199 258 HA VAL 33 HA VAL 33 7.247 2.783 -4.676 259 HB VAL 33 HB VAL 33 6.129 1.663 -6.663 260 HG11 VAL 33 1HG1 VAL 33 4.959 1.105 -3.943 261 HG12 VAL 33 2HG1 VAL 33 6.486 0.481 -4.564 262 HG13 VAL 33 3HG1 VAL 33 4.965 -0.012 -5.308 263 HG21 VAL 33 1HG2 VAL 33 3.674 1.537 -6.661 264 HG22 VAL 33 2HG2 VAL 33 4.251 3.185 -6.937 265 HG23 VAL 33 3HG2 VAL 33 3.627 2.725 -5.354 266 H PHE 34 H PHE 34 8.578 4.170 -5.288 267 HA PHE 34 HA PHE 34 8.336 5.427 -7.826 268 HB2 PHE 34 2HB PHE 34 7.185 7.046 -6.226 269 HB3 PHE 34 1HB PHE 34 8.709 7.165 -5.361 270 HD1 PHE 34 1HD PHE 34 10.539 8.451 -6.259 271 HD2 PHE 34 2HD PHE 34 6.929 7.986 -8.451 272 HE1 PHE 34 1HE PHE 34 11.229 10.256 -7.772 273 HE2 PHE 34 2HE PHE 34 7.612 9.788 -9.973 274 HZ PHE 34 HZ PHE 34 9.769 10.928 -9.635 Start of MODEL 4 1 H1 ASP 1 1HT ASP 1 -3.842 13.841 3.926 2 H2 ASP 1 2HT ASP 1 -4.162 12.220 4.282 3 H3 ASP 1 3HT ASP 1 -5.402 13.202 3.779 4 HA ASP 1 HA ASP 1 -4.447 13.452 1.615 5 HB2 ASP 1 2HB ASP 1 -2.044 12.957 2.564 6 HB3 ASP 1 1HB ASP 1 -2.500 11.265 2.442 7 H CYS 2 H CYS 2 -4.073 10.870 0.338 8 HA CYS 2 HA CYS 2 -6.655 9.773 1.004 9 HB2 CYS 2 2HB CYS 2 -6.444 8.615 -1.108 10 HB3 CYS 2 1HB CYS 2 -6.116 10.324 -1.331 11 H LEU 3 H LEU 3 -6.582 7.185 0.592 12 HA LEU 3 HA LEU 3 -5.276 6.145 2.819 13 HB2 LEU 3 2HB LEU 3 -6.328 4.682 0.432 14 HB3 LEU 3 1HB LEU 3 -5.922 3.946 1.963 15 HG LEU 3 HG LEU 3 -8.109 5.958 1.520 16 HD11 LEU 3 1HD1 LEU 3 -9.637 4.079 1.955 17 HD12 LEU 3 2HD1 LEU 3 -8.255 2.988 2.040 18 HD13 LEU 3 3HD1 LEU 3 -8.645 3.801 0.524 19 HD21 LEU 3 1HD2 LEU 3 -7.200 6.143 3.760 20 HD22 LEU 3 2HD2 LEU 3 -7.339 4.399 3.985 21 HD23 LEU 3 3HD2 LEU 3 -8.790 5.385 3.822 22 H GLY 4 H GLY 4 -3.421 5.314 3.153 23 HA2 GLY 4 2HA GLY 4 -1.675 3.916 1.621 24 HA3 GLY 4 1HA GLY 4 -1.342 5.596 1.201 25 H ALA 5 H ALA 5 0.082 6.620 2.351 26 HA ALA 5 HA ALA 5 1.703 7.066 3.879 27 HB1 ALA 5 1HB ALA 5 -0.618 6.770 5.760 28 HB2 ALA 5 2HB ALA 5 -0.273 8.187 4.758 29 HB3 ALA 5 3HB ALA 5 0.854 7.703 6.026 30 H PHE 6 H PHE 6 1.780 4.272 3.318 31 HA PHE 6 HA PHE 6 2.757 2.392 4.018 32 HB2 PHE 6 2HB PHE 6 3.805 4.135 6.276 33 HB3 PHE 6 1HB PHE 6 4.393 2.526 5.884 34 HD1 PHE 6 1HD PHE 6 4.472 6.047 5.007 35 HD2 PHE 6 2HD PHE 6 5.652 2.148 3.818 36 HE1 PHE 6 1HE PHE 6 6.099 7.023 3.439 37 HE2 PHE 6 2HE PHE 6 7.285 3.114 2.243 38 HZ PHE 6 HZ PHE 6 7.506 5.560 2.055 39 H ARG 7 H ARG 7 0.058 3.014 4.873 40 HA ARG 7 HA ARG 7 -0.138 1.819 7.501 41 HB2 ARG 7 2HB ARG 7 -2.270 2.678 5.550 42 HB3 ARG 7 1HB ARG 7 -2.625 2.012 7.121 43 HG2 ARG 7 2HG ARG 7 -1.342 4.662 6.462 44 HG3 ARG 7 1HG ARG 7 -2.900 4.375 7.229 45 HD2 ARG 7 2HD ARG 7 -1.528 5.024 9.004 46 HD3 ARG 7 1HD ARG 7 -1.508 3.266 9.108 47 HE ARG 7 HE ARG 7 0.610 4.292 7.502 48 HH11 ARG 7 1HH1 ARG 7 -0.272 3.742 10.884 49 HH12 ARG 7 2HH1 ARG 7 1.342 3.690 11.426 50 HH21 ARG 7 1HH2 ARG 7 2.788 4.192 8.252 51 HH22 ARG 7 2HH2 ARG 7 3.108 3.914 9.904 52 H LYS 8 H LYS 8 -1.163 -0.139 7.907 53 HA LYS 8 HA LYS 8 -0.310 -2.255 6.303 54 HB2 LYS 8 2HB LYS 8 -2.413 -2.243 8.465 55 HB3 LYS 8 1HB LYS 8 -1.737 -3.695 7.743 56 HG2 LYS 8 2HG LYS 8 0.474 -3.070 8.552 57 HG3 LYS 8 1HG LYS 8 -0.200 -1.616 9.284 58 HD2 LYS 8 2HD LYS 8 -1.637 -3.007 10.702 59 HD3 LYS 8 1HD LYS 8 -0.946 -4.458 9.975 60 HE2 LYS 8 2HE LYS 8 0.572 -2.371 11.538 61 HE3 LYS 8 1HE LYS 8 0.078 -3.943 12.151 62 HZ1 LYS 8 1HZ LYS 8 1.490 -5.003 10.517 63 HZ2 LYS 8 2HZ LYS 8 2.409 -3.912 11.413 64 HZ3 LYS 8 3HZ LYS 8 1.919 -3.515 9.860 65 H CYS 9 H CYS 9 -1.190 -3.461 4.791 66 HA CYS 9 HA CYS 9 -3.870 -2.721 3.837 67 HB2 CYS 9 2HB CYS 9 -2.928 -3.132 1.568 68 HB3 CYS 9 1HB CYS 9 -2.224 -1.741 2.396 69 H ILE 10 H ILE 10 -4.929 -4.399 2.654 70 HA ILE 10 HA ILE 10 -4.052 -7.074 3.345 71 HB ILE 10 HB ILE 10 -6.697 -6.059 2.202 72 HG12 ILE 10 2HG1 ILE 10 -7.671 -7.109 4.315 73 HG13 ILE 10 1HG1 ILE 10 -6.026 -7.269 4.898 74 HG21 ILE 10 1HG2 ILE 10 -5.906 -8.905 2.776 75 HG22 ILE 10 2HG2 ILE 10 -6.226 -8.189 1.194 76 HG23 ILE 10 3HG2 ILE 10 -7.532 -8.362 2.367 77 HD11 ILE 10 1HD1 ILE 10 -7.447 -4.690 4.261 78 HD12 ILE 10 2HD1 ILE 10 -5.788 -4.830 4.840 79 HD13 ILE 10 3HD1 ILE 10 -7.129 -5.343 5.867 80 HA PRO 11 HA PRO 11 -2.224 -6.866 -0.687 81 HB2 PRO 11 2HB PRO 11 -1.287 -9.389 -0.830 82 HB3 PRO 11 1HB PRO 11 -0.535 -8.151 0.188 83 HG2 PRO 11 2HG PRO 11 -2.397 -10.362 0.937 84 HG3 PRO 11 1HG PRO 11 -0.973 -9.759 1.805 85 HD2 PRO 11 2HD PRO 11 -3.546 -9.107 2.452 86 HD3 PRO 11 1HD PRO 11 -2.169 -8.054 2.797 87 H ASP 12 H ASP 12 -4.826 -8.768 0.126 88 HA ASP 12 HA ASP 12 -5.176 -9.935 -2.521 89 HB2 ASP 12 2HB ASP 12 -6.862 -10.158 -0.023 90 HB3 ASP 12 1HB ASP 12 -7.215 -10.972 -1.540 91 H ASN 13 H ASN 13 -5.948 -7.089 -0.898 92 HA ASN 13 HA ASN 13 -7.461 -6.098 -3.047 93 HB2 ASN 13 2HB ASN 13 -9.285 -7.374 -1.911 94 HB3 ASN 13 1HB ASN 13 -8.974 -6.461 -0.439 95 HD21 ASN 13 1HD2 ASN 13 -10.229 -6.347 -3.647 96 HD22 ASN 13 2HD2 ASN 13 -11.080 -4.862 -3.510 97 H ASP 14 H ASP 14 -5.820 -4.623 -2.959 98 HA ASP 14 HA ASP 14 -5.569 -3.103 -0.519 99 HB2 ASP 14 2HB ASP 14 -3.619 -2.007 -1.584 100 HB3 ASP 14 1HB ASP 14 -3.471 -3.756 -1.467 101 H LYS 15 H LYS 15 -6.323 -1.243 -0.192 102 HA LYS 15 HA LYS 15 -7.332 0.254 -2.468 103 HB2 LYS 15 2HB LYS 15 -9.094 1.212 -0.918 104 HB3 LYS 15 1HB LYS 15 -9.305 -0.458 -1.413 105 HG2 LYS 15 2HG LYS 15 -8.675 -1.268 0.719 106 HG3 LYS 15 1HG LYS 15 -8.065 0.313 1.215 107 HD2 LYS 15 2HD LYS 15 -10.250 -0.219 2.213 108 HD3 LYS 15 1HD LYS 15 -10.306 1.223 1.201 109 HE2 LYS 15 2HE LYS 15 -11.231 -0.174 -0.630 110 HE3 LYS 15 1HE LYS 15 -11.262 -1.550 0.476 111 HZ1 LYS 15 1HZ LYS 15 -13.411 -0.466 0.342 112 HZ2 LYS 15 2HZ LYS 15 -12.737 1.000 0.798 113 HZ3 LYS 15 3HZ LYS 15 -12.776 -0.281 1.895 114 H CYS 16 H CYS 16 -5.591 1.438 -2.699 115 HA CYS 16 HA CYS 16 -5.262 3.619 -0.876 116 HB2 CYS 16 2HB CYS 16 -2.982 1.742 -1.695 117 HB3 CYS 16 1HB CYS 16 -2.744 3.336 -0.991 118 H CYS 17 H CYS 17 -3.931 5.321 -2.079 119 HA CYS 17 HA CYS 17 -4.823 5.496 -4.763 120 HB2 CYS 17 2HB CYS 17 -2.737 7.126 -3.306 121 HB3 CYS 17 1HB CYS 17 -3.215 7.455 -4.963 122 H ARG 18 H ARG 18 -4.178 3.644 -5.756 123 HA ARG 18 HA ARG 18 -1.338 3.255 -6.136 124 HB2 ARG 18 2HB ARG 18 -1.994 1.073 -7.185 125 HB3 ARG 18 1HB ARG 18 -2.560 1.263 -5.543 126 HG2 ARG 18 2HG ARG 18 -4.797 1.796 -6.426 127 HG3 ARG 18 1HG ARG 18 -4.186 1.502 -8.061 128 HD2 ARG 18 2HD ARG 18 -3.493 -0.760 -7.349 129 HD3 ARG 18 1HD ARG 18 -4.221 -0.459 -5.778 130 HE ARG 18 HE ARG 18 -5.976 -0.136 -8.026 131 HH11 ARG 18 1HH1 ARG 18 -4.851 -2.250 -5.402 132 HH12 ARG 18 2HH1 ARG 18 -5.979 -3.470 -5.678 133 HH21 ARG 18 1HH2 ARG 18 -7.605 -1.843 -8.418 134 HH22 ARG 18 2HH2 ARG 18 -7.596 -3.237 -7.440 135 HA PRO 19 HA PRO 19 -0.345 1.835 -7.777 136 HB2 PRO 19 2HB PRO 19 1.536 2.111 -9.675 137 HB3 PRO 19 1HB PRO 19 0.006 1.283 -9.962 138 HG2 PRO 19 2HG PRO 19 0.936 3.854 -11.003 139 HG3 PRO 19 1HG PRO 19 -0.426 2.862 -11.545 140 HD2 PRO 19 2HD PRO 19 -0.399 5.186 -9.776 141 HD3 PRO 19 1HD PRO 19 -1.793 4.390 -10.540 142 H ASN 20 H ASN 20 -0.075 5.015 -7.252 143 HA ASN 20 HA ASN 20 2.751 5.253 -6.800 144 HB2 ASN 20 2HB ASN 20 1.313 7.236 -7.184 145 HB3 ASN 20 1HB ASN 20 0.485 6.913 -5.665 146 HD21 ASN 20 1HD2 ASN 20 3.429 7.933 -7.136 147 HD22 ASN 20 2HD2 ASN 20 4.119 8.679 -5.737 148 H LEU 21 H LEU 21 -0.039 4.682 -4.776 149 HA LEU 21 HA LEU 21 1.693 3.706 -2.630 150 HB2 LEU 21 2HB LEU 21 -1.144 4.714 -2.712 151 HB3 LEU 21 1HB LEU 21 -0.516 3.781 -1.376 152 HG LEU 21 HG LEU 21 0.944 6.248 -2.194 153 HD11 LEU 21 1HD1 LEU 21 -0.458 7.415 -0.452 154 HD12 LEU 21 2HD1 LEU 21 -1.629 6.081 -0.622 155 HD13 LEU 21 3HD1 LEU 21 -1.232 7.101 -1.991 156 HD21 LEU 21 1HD2 LEU 21 1.938 4.699 -0.606 157 HD22 LEU 21 2HD2 LEU 21 0.495 4.783 0.401 158 HD23 LEU 21 3HD2 LEU 21 1.501 6.214 0.181 159 H VAL 22 H VAL 22 1.844 1.614 -2.566 160 HA VAL 22 HA VAL 22 -0.425 0.038 -3.468 161 HB VAL 22 HB VAL 22 1.174 0.307 -5.366 162 HG11 VAL 22 1HG1 VAL 22 3.111 -1.212 -3.648 163 HG12 VAL 22 2HG1 VAL 22 3.263 0.453 -4.205 164 HG13 VAL 22 3HG1 VAL 22 3.320 -0.872 -5.366 165 HG21 VAL 22 1HG2 VAL 22 1.319 -2.072 -5.990 166 HG22 VAL 22 2HG2 VAL 22 -0.263 -1.636 -5.343 167 HG23 VAL 22 3HG2 VAL 22 0.891 -2.514 -4.338 168 H CYS 23 H CYS 23 -0.421 -2.095 -2.658 169 HA CYS 23 HA CYS 23 0.529 -2.267 0.022 170 HB2 CYS 23 2HB CYS 23 -1.667 -3.115 -0.775 171 HB3 CYS 23 1HB CYS 23 -0.825 -4.353 -1.703 172 H SER 24 H SER 24 2.703 -2.591 0.236 173 HA SER 24 HA SER 24 4.236 -4.156 -1.537 174 HB2 SER 24 2HB SER 24 5.283 -2.441 -0.177 175 HB3 SER 24 1HB SER 24 4.749 -3.238 1.299 176 HG SER 24 HG SER 24 6.667 -4.168 -0.589 177 H ARG 25 H ARG 25 4.668 -6.303 -1.525 178 HA ARG 25 HA ARG 25 3.208 -7.984 0.311 179 HB2 ARG 25 2HB ARG 25 4.167 -9.877 -1.002 180 HB3 ARG 25 1HB ARG 25 3.233 -8.740 -1.958 181 HG2 ARG 25 2HG ARG 25 5.287 -7.762 -2.815 182 HG3 ARG 25 1HG ARG 25 6.240 -8.869 -1.820 183 HD2 ARG 25 2HD ARG 25 6.073 -9.661 -4.128 184 HD3 ARG 25 1HD ARG 25 5.281 -10.766 -3.009 185 HE ARG 25 HE ARG 25 3.781 -8.774 -4.563 186 HH11 ARG 25 1HH1 ARG 25 4.248 -12.173 -3.536 187 HH12 ARG 25 2HH1 ARG 25 2.867 -12.734 -4.351 188 HH21 ARG 25 1HH2 ARG 25 1.853 -9.619 -5.661 189 HH22 ARG 25 2HH2 ARG 25 1.459 -11.260 -5.551 190 H LEU 26 H LEU 26 6.154 -6.542 0.241 191 HA LEU 26 HA LEU 26 7.432 -8.474 2.031 192 HB2 LEU 26 2HB LEU 26 8.434 -5.877 0.875 193 HB3 LEU 26 1HB LEU 26 9.358 -6.891 1.958 194 HG LEU 26 HG LEU 26 8.447 -7.640 -0.820 195 HD11 LEU 26 1HD1 LEU 26 10.841 -7.550 -1.332 196 HD12 LEU 26 2HD1 LEU 26 11.165 -6.975 0.305 197 HD13 LEU 26 3HD1 LEU 26 10.224 -5.986 -0.810 198 HD21 LEU 26 1HD2 LEU 26 8.515 -9.559 0.682 199 HD22 LEU 26 2HD2 LEU 26 10.157 -9.137 1.163 200 HD23 LEU 26 3HD2 LEU 26 9.822 -9.633 -0.496 201 H HIS 27 H HIS 27 6.503 -5.062 1.982 202 HA HIS 27 HA HIS 27 7.053 -4.896 4.813 203 HB2 HIS 27 2HB HIS 27 6.146 -2.781 2.862 204 HB3 HIS 27 1HB HIS 27 6.535 -2.486 4.549 205 HD1 HIS 27 1HD HIS 27 9.046 -2.231 5.137 206 HD2 HIS 27 2HD HIS 27 8.341 -3.426 1.221 207 HE1 HIS 27 1HE HIS 27 11.256 -2.034 3.943 208 H ARG 28 H ARG 28 4.378 -5.474 2.835 209 HA ARG 28 HA ARG 28 2.250 -5.945 3.195 210 HB2 ARG 28 2HB ARG 28 2.996 -6.012 6.116 211 HB3 ARG 28 1HB ARG 28 1.495 -6.635 5.446 212 HG2 ARG 28 2HG ARG 28 2.894 -8.171 4.036 213 HG3 ARG 28 1HG ARG 28 4.285 -7.655 4.992 214 HD2 ARG 28 2HD ARG 28 3.427 -9.693 5.921 215 HD3 ARG 28 1HD ARG 28 3.061 -8.373 7.034 216 HE ARG 28 HE ARG 28 0.976 -8.831 5.172 217 HH11 ARG 28 1HH1 ARG 28 2.270 -9.898 8.285 218 HH12 ARG 28 2HH1 ARG 28 0.856 -10.670 8.784 219 HH21 ARG 28 1HH2 ARG 28 -1.004 -9.942 5.865 220 HH22 ARG 28 2HH2 ARG 28 -1.052 -10.703 7.380 221 H TRP 29 H TRP 29 3.213 -3.151 3.324 222 HA TRP 29 HA TRP 29 0.677 -2.079 4.201 223 HB2 TRP 29 2HB TRP 29 1.791 -0.040 5.097 224 HB3 TRP 29 1HB TRP 29 2.124 -1.488 6.022 225 HD1 TRP 29 HD TRP 29 4.028 0.120 2.999 226 HE1 TRP 29 1HE TRP 29 6.510 0.368 3.690 227 HE3 TRP 29 3HE TRP 29 3.728 -1.670 7.771 228 HZ2 TRP 29 2HZ TRP 29 8.099 -0.105 5.973 229 HZ3 TRP 29 3HZ TRP 29 5.770 -1.733 9.145 230 HH2 TRP 29 HH TRP 29 7.906 -0.963 8.256 231 H CYS 30 H CYS 30 0.178 0.006 3.242 232 HA CYS 30 HA CYS 30 0.839 0.030 0.457 233 HB2 CYS 30 2HB CYS 30 -0.779 1.828 2.213 234 HB3 CYS 30 1HB CYS 30 -0.491 2.246 0.539 235 H LYS 31 H LYS 31 2.811 0.523 0.016 236 HA LYS 31 HA LYS 31 4.168 2.643 1.486 237 HB2 LYS 31 2HB LYS 31 6.210 1.748 0.561 238 HB3 LYS 31 1HB LYS 31 5.260 0.435 1.209 239 HG2 LYS 31 2HG LYS 31 4.672 -0.348 -0.937 240 HG3 LYS 31 1HG LYS 31 5.238 1.135 -1.709 241 HD2 LYS 31 2HD LYS 31 7.527 0.610 -0.924 242 HD3 LYS 31 1HD LYS 31 6.927 -0.927 -0.307 243 HE2 LYS 31 2HE LYS 31 6.370 -1.674 -2.502 244 HE3 LYS 31 1HE LYS 31 6.684 -0.081 -3.190 245 HZ1 LYS 31 1HZ LYS 31 8.997 -0.325 -2.611 246 HZ2 LYS 31 2HZ LYS 31 8.530 -1.592 -3.606 247 HZ3 LYS 31 3HZ LYS 31 8.738 -1.847 -1.948 248 H TYR 32 H TYR 32 5.261 4.332 0.336 249 HA TYR 32 HA TYR 32 3.991 5.095 -2.145 250 HB2 TYR 32 2HB TYR 32 6.122 6.414 -0.449 251 HB3 TYR 32 1HB TYR 32 5.599 7.065 -1.990 252 HD1 TYR 32 1HD TYR 32 4.834 6.710 1.541 253 HD2 TYR 32 2HD TYR 32 3.306 7.971 -2.220 254 HE1 TYR 32 1HE TYR 32 3.070 7.962 2.686 255 HE2 TYR 32 2HE TYR 32 1.537 9.220 -1.092 256 HH TYR 32 HH TYR 32 1.563 9.855 2.234 257 H VAL 33 H VAL 33 4.714 4.196 -3.932 258 HA VAL 33 HA VAL 33 7.562 3.691 -4.065 259 HB VAL 33 HB VAL 33 6.294 1.654 -4.478 260 HG11 VAL 33 1HG1 VAL 33 4.916 3.090 -6.714 261 HG12 VAL 33 2HG1 VAL 33 4.196 2.586 -5.186 262 HG13 VAL 33 3HG1 VAL 33 4.762 1.371 -6.338 263 HG21 VAL 33 1HG2 VAL 33 7.466 2.703 -7.037 264 HG22 VAL 33 2HG2 VAL 33 7.129 1.007 -6.689 265 HG23 VAL 33 3HG2 VAL 33 8.333 1.881 -5.740 266 H PHE 34 H PHE 34 8.415 5.471 -4.610 267 HA PHE 34 HA PHE 34 7.694 6.786 -7.083 268 HB2 PHE 34 2HB PHE 34 6.210 7.733 -5.309 269 HB3 PHE 34 1HB PHE 34 7.631 8.174 -4.387 270 HD1 PHE 34 1HD PHE 34 8.402 10.334 -4.559 271 HD2 PHE 34 2HD PHE 34 6.096 8.716 -7.739 272 HE1 PHE 34 1HE PHE 34 8.366 12.533 -5.646 273 HE2 PHE 34 2HE PHE 34 6.061 10.912 -8.837 274 HZ PHE 34 HZ PHE 34 7.195 12.830 -7.788 Start of MODEL 5 1 H1 ASP 1 1HT ASP 1 -9.486 11.321 -0.287 2 H2 ASP 1 2HT ASP 1 -10.613 11.535 0.967 3 H3 ASP 1 3HT ASP 1 -10.501 10.059 0.140 4 HA ASP 1 HA ASP 1 -8.317 11.212 1.709 5 HB2 ASP 1 2HB ASP 1 -10.166 10.592 3.177 6 HB3 ASP 1 1HB ASP 1 -10.244 8.998 2.432 7 H CYS 2 H CYS 2 -6.548 10.605 0.806 8 HA CYS 2 HA CYS 2 -6.495 8.240 -0.849 9 HB2 CYS 2 2HB CYS 2 -5.549 10.353 -1.677 10 HB3 CYS 2 1HB CYS 2 -4.426 10.372 -0.325 11 H LEU 3 H LEU 3 -5.952 6.361 0.044 12 HA LEU 3 HA LEU 3 -4.671 6.297 2.610 13 HB2 LEU 3 2HB LEU 3 -5.555 4.057 0.833 14 HB3 LEU 3 1HB LEU 3 -4.925 3.855 2.448 15 HG LEU 3 HG LEU 3 -7.457 5.325 1.762 16 HD11 LEU 3 1HD1 LEU 3 -7.669 2.904 1.435 17 HD12 LEU 3 2HD1 LEU 3 -8.604 3.442 2.829 18 HD13 LEU 3 3HD1 LEU 3 -7.060 2.629 3.068 19 HD21 LEU 3 1HD2 LEU 3 -7.820 5.280 4.227 20 HD22 LEU 3 2HD2 LEU 3 -6.451 6.265 3.735 21 HD23 LEU 3 3HD2 LEU 3 -6.181 4.659 4.415 22 H GLY 4 H GLY 4 -2.748 5.930 3.046 23 HA2 GLY 4 2HA GLY 4 -0.824 4.553 1.465 24 HA3 GLY 4 1HA GLY 4 -0.618 6.305 1.379 25 H ALA 5 H ALA 5 0.881 6.948 2.662 26 HA ALA 5 HA ALA 5 2.220 7.262 4.465 27 HB1 ALA 5 1HB ALA 5 1.048 7.861 6.479 28 HB2 ALA 5 2HB ALA 5 -0.388 6.988 5.942 29 HB3 ALA 5 3HB ALA 5 0.148 8.426 5.070 30 H PHE 6 H PHE 6 2.062 4.427 3.770 31 HA PHE 6 HA PHE 6 2.892 2.453 4.483 32 HB2 PHE 6 2HB PHE 6 3.650 3.959 7.000 33 HB3 PHE 6 1HB PHE 6 4.181 2.333 6.607 34 HD1 PHE 6 1HD PHE 6 4.597 5.897 5.905 35 HD2 PHE 6 2HD PHE 6 5.869 1.969 4.908 36 HE1 PHE 6 1HE PHE 6 6.569 6.825 4.779 37 HE2 PHE 6 2HE PHE 6 7.843 2.892 3.781 38 HZ PHE 6 HZ PHE 6 8.201 5.315 3.713 39 H ARG 7 H ARG 7 0.104 3.335 5.130 40 HA ARG 7 HA ARG 7 -0.694 2.132 7.579 41 HB2 ARG 7 2HB ARG 7 -2.205 2.776 5.045 42 HB3 ARG 7 1HB ARG 7 -2.968 2.067 6.460 43 HG2 ARG 7 2HG ARG 7 -1.465 4.664 6.582 44 HG3 ARG 7 1HG ARG 7 -3.178 4.570 6.166 45 HD2 ARG 7 2HD ARG 7 -1.978 3.465 8.706 46 HD3 ARG 7 1HD ARG 7 -2.757 5.041 8.564 47 HE ARG 7 HE ARG 7 -4.484 3.095 7.564 48 HH11 ARG 7 1HH1 ARG 7 -3.147 4.064 10.712 49 HH12 ARG 7 2HH1 ARG 7 -4.530 3.578 11.581 50 HH21 ARG 7 1HH2 ARG 7 -6.372 2.457 8.796 51 HH22 ARG 7 2HH2 ARG 7 -6.385 2.679 10.491 52 H LYS 8 H LYS 8 -1.211 0.078 8.049 53 HA LYS 8 HA LYS 8 -0.347 -1.975 6.300 54 HB2 LYS 8 2HB LYS 8 -2.008 -2.213 8.819 55 HB3 LYS 8 1HB LYS 8 -1.174 -3.536 8.012 56 HG2 LYS 8 2HG LYS 8 0.970 -2.377 8.415 57 HG3 LYS 8 1HG LYS 8 0.098 -1.144 9.318 58 HD2 LYS 8 2HD LYS 8 -0.708 -2.930 10.854 59 HD3 LYS 8 1HD LYS 8 0.313 -4.075 9.986 60 HE2 LYS 8 2HE LYS 8 1.243 -1.620 11.475 61 HE3 LYS 8 1HE LYS 8 1.438 -3.288 11.998 62 HZ1 LYS 8 1HZ LYS 8 2.684 -2.051 9.602 63 HZ2 LYS 8 2HZ LYS 8 2.831 -3.665 10.028 64 HZ3 LYS 8 3HZ LYS 8 3.479 -2.478 11.027 65 H CYS 9 H CYS 9 -1.462 -3.338 5.035 66 HA CYS 9 HA CYS 9 -4.326 -2.855 4.641 67 HB2 CYS 9 2HB CYS 9 -3.736 -2.764 2.159 68 HB3 CYS 9 1HB CYS 9 -3.331 -1.342 3.126 69 H ILE 10 H ILE 10 -5.094 -4.410 2.862 70 HA ILE 10 HA ILE 10 -4.123 -7.092 3.432 71 HB ILE 10 HB ILE 10 -6.462 -6.165 1.710 72 HG12 ILE 10 2HG1 ILE 10 -6.494 -7.249 4.540 73 HG13 ILE 10 1HG1 ILE 10 -6.739 -5.567 4.089 74 HG21 ILE 10 1HG2 ILE 10 -7.237 -8.509 1.899 75 HG22 ILE 10 2HG2 ILE 10 -5.743 -8.908 2.750 76 HG23 ILE 10 3HG2 ILE 10 -5.685 -8.372 1.072 77 HD11 ILE 10 1HD1 ILE 10 -8.776 -6.187 2.888 78 HD12 ILE 10 2HD1 ILE 10 -8.850 -6.677 4.580 79 HD13 ILE 10 3HD1 ILE 10 -8.522 -7.876 3.329 80 HA PRO 11 HA PRO 11 -1.467 -6.567 -0.088 81 HB2 PRO 11 2HB PRO 11 -0.757 -9.182 -0.467 82 HB3 PRO 11 1HB PRO 11 -0.067 -8.135 0.777 83 HG2 PRO 11 2HG PRO 11 -2.206 -10.200 1.016 84 HG3 PRO 11 1HG PRO 11 -0.873 -9.837 2.121 85 HD2 PRO 11 2HD PRO 11 -3.396 -8.997 2.582 86 HD3 PRO 11 1HD PRO 11 -1.981 -8.052 3.082 87 H ASP 12 H ASP 12 -3.943 -9.111 -0.289 88 HA ASP 12 HA ASP 12 -3.747 -8.995 -3.199 89 HB2 ASP 12 2HB ASP 12 -5.528 -10.742 -1.489 90 HB3 ASP 12 1HB ASP 12 -5.335 -10.864 -3.231 91 H ASN 13 H ASN 13 -5.424 -7.492 -0.780 92 HA ASN 13 HA ASN 13 -7.494 -6.559 -2.647 93 HB2 ASN 13 2HB ASN 13 -7.942 -7.015 0.337 94 HB3 ASN 13 1HB ASN 13 -9.119 -6.393 -0.802 95 HD21 ASN 13 1HD2 ASN 13 -9.267 -8.691 0.976 96 HD22 ASN 13 2HD2 ASN 13 -9.569 -10.055 -0.023 97 H ASP 14 H ASP 14 -5.696 -5.058 -2.914 98 HA ASP 14 HA ASP 14 -4.874 -3.494 -0.675 99 HB2 ASP 14 2HB ASP 14 -3.462 -2.263 -2.268 100 HB3 ASP 14 1HB ASP 14 -3.257 -4.008 -2.361 101 H LYS 15 H LYS 15 -5.636 -1.716 0.060 102 HA LYS 15 HA LYS 15 -7.110 -0.000 -1.775 103 HB2 LYS 15 2HB LYS 15 -7.546 -0.254 1.215 104 HB3 LYS 15 1HB LYS 15 -8.386 0.857 0.143 105 HG2 LYS 15 2HG LYS 15 -9.335 -1.077 -1.069 106 HG3 LYS 15 1HG LYS 15 -8.547 -2.152 0.081 107 HD2 LYS 15 2HD LYS 15 -10.839 -1.882 0.732 108 HD3 LYS 15 1HD LYS 15 -9.828 -1.039 1.904 109 HE2 LYS 15 2HE LYS 15 -10.307 1.091 0.803 110 HE3 LYS 15 1HE LYS 15 -11.288 0.256 -0.404 111 HZ1 LYS 15 1HZ LYS 15 -12.781 -0.425 1.375 112 HZ2 LYS 15 2HZ LYS 15 -12.635 1.256 1.301 113 HZ3 LYS 15 3HZ LYS 15 -11.821 0.383 2.503 114 H CYS 16 H CYS 16 -5.245 1.026 -2.383 115 HA CYS 16 HA CYS 16 -4.298 3.088 -0.598 116 HB2 CYS 16 2HB CYS 16 -2.322 1.451 -2.231 117 HB3 CYS 16 1HB CYS 16 -1.971 2.590 -0.949 118 H CYS 17 H CYS 17 -3.469 4.838 -2.055 119 HA CYS 17 HA CYS 17 -4.865 4.852 -4.553 120 HB2 CYS 17 2HB CYS 17 -2.748 6.813 -3.691 121 HB3 CYS 17 1HB CYS 17 -3.984 7.054 -4.912 122 H ARG 18 H ARG 18 -3.986 3.058 -5.613 123 HA ARG 18 HA ARG 18 -1.241 3.014 -6.396 124 HB2 ARG 18 2HB ARG 18 -1.864 1.029 -7.743 125 HB3 ARG 18 1HB ARG 18 -2.440 0.912 -6.092 126 HG2 ARG 18 2HG ARG 18 -4.684 1.637 -6.902 127 HG3 ARG 18 1HG ARG 18 -4.053 1.546 -8.549 128 HD2 ARG 18 2HD ARG 18 -4.158 -0.719 -6.564 129 HD3 ARG 18 1HD ARG 18 -5.255 -0.498 -7.923 130 HE ARG 18 HE ARG 18 -3.039 -0.623 -9.254 131 HH11 ARG 18 1HH1 ARG 18 -3.708 -2.507 -6.288 132 HH12 ARG 18 2HH1 ARG 18 -2.902 -3.878 -6.850 133 HH21 ARG 18 1HH2 ARG 18 -1.859 -2.530 -9.941 134 HH22 ARG 18 2HH2 ARG 18 -1.794 -3.905 -8.917 135 HA PRO 19 HA PRO 19 -0.109 2.190 -8.039 136 HB2 PRO 19 2HB PRO 19 1.615 2.728 -9.980 137 HB3 PRO 19 1HB PRO 19 0.103 1.877 -10.324 138 HG2 PRO 19 2HG PRO 19 0.875 4.669 -10.951 139 HG3 PRO 19 1HG PRO 19 -0.264 3.603 -11.787 140 HD2 PRO 19 2HD PRO 19 -0.831 5.641 -9.846 141 HD3 PRO 19 1HD PRO 19 -1.982 4.576 -10.671 142 H ASN 20 H ASN 20 -0.367 5.192 -7.176 143 HA ASN 20 HA ASN 20 2.399 6.020 -6.999 144 HB2 ASN 20 2HB ASN 20 -0.046 7.170 -5.623 145 HB3 ASN 20 1HB ASN 20 1.538 7.932 -5.731 146 HD21 ASN 20 1HD2 ASN 20 2.193 8.801 -7.707 147 HD22 ASN 20 2HD2 ASN 20 1.071 9.120 -8.972 148 H LEU 21 H LEU 21 -0.068 4.678 -4.977 149 HA LEU 21 HA LEU 21 1.898 3.976 -2.913 150 HB2 LEU 21 2HB LEU 21 -1.035 4.630 -2.463 151 HB3 LEU 21 1HB LEU 21 0.230 4.323 -1.280 152 HG LEU 21 HG LEU 21 0.432 6.703 -3.079 153 HD11 LEU 21 1HD1 LEU 21 -1.677 6.964 -1.976 154 HD12 LEU 21 2HD1 LEU 21 -0.498 7.997 -1.159 155 HD13 LEU 21 3HD1 LEU 21 -0.988 6.455 -0.450 156 HD21 LEU 21 1HD2 LEU 21 2.420 5.969 -1.912 157 HD22 LEU 21 2HD2 LEU 21 1.547 5.999 -0.379 158 HD23 LEU 21 3HD2 LEU 21 1.836 7.497 -1.261 159 H VAL 22 H VAL 22 1.986 1.820 -2.857 160 HA VAL 22 HA VAL 22 -0.418 0.333 -3.660 161 HB VAL 22 HB VAL 22 0.916 -1.423 -4.726 162 HG11 VAL 22 1HG1 VAL 22 1.635 -0.217 -6.742 163 HG12 VAL 22 2HG1 VAL 22 1.473 1.304 -5.866 164 HG13 VAL 22 3HG1 VAL 22 0.054 0.303 -6.161 165 HG21 VAL 22 1HG2 VAL 22 2.999 -1.200 -3.484 166 HG22 VAL 22 2HG2 VAL 22 3.301 0.366 -4.235 167 HG23 VAL 22 3HG2 VAL 22 3.312 -1.098 -5.219 168 H CYS 23 H CYS 23 -0.727 -1.713 -2.678 169 HA CYS 23 HA CYS 23 0.394 -1.758 -0.045 170 HB2 CYS 23 2HB CYS 23 -2.035 -2.148 -0.469 171 HB3 CYS 23 1HB CYS 23 -1.589 -3.589 -1.378 172 H SER 24 H SER 24 2.356 -2.507 -0.026 173 HA SER 24 HA SER 24 3.395 -4.438 -1.816 174 HB2 SER 24 2HB SER 24 4.783 -2.774 -0.734 175 HB3 SER 24 1HB SER 24 4.344 -3.404 0.850 176 HG SER 24 HG SER 24 5.876 -4.668 -1.179 177 H ARG 25 H ARG 25 3.328 -6.613 -1.612 178 HA ARG 25 HA ARG 25 1.879 -7.704 0.613 179 HB2 ARG 25 2HB ARG 25 2.125 -9.871 -0.457 180 HB3 ARG 25 1HB ARG 25 1.548 -8.704 -1.627 181 HG2 ARG 25 2HG ARG 25 3.792 -8.551 -2.569 182 HG3 ARG 25 1HG ARG 25 4.374 -9.710 -1.372 183 HD2 ARG 25 2HD ARG 25 2.666 -11.320 -2.260 184 HD3 ARG 25 1HD ARG 25 2.354 -10.167 -3.555 185 HE ARG 25 HE ARG 25 5.090 -11.011 -3.170 186 HH11 ARG 25 1HH1 ARG 25 2.112 -11.342 -5.098 187 HH12 ARG 25 2HH1 ARG 25 2.864 -12.211 -6.352 188 HH21 ARG 25 1HH2 ARG 25 6.106 -12.247 -4.924 189 HH22 ARG 25 2HH2 ARG 25 5.177 -12.757 -6.239 190 H LEU 26 H LEU 26 5.068 -7.089 -0.261 191 HA LEU 26 HA LEU 26 6.335 -8.948 1.521 192 HB2 LEU 26 2HB LEU 26 7.469 -8.147 -0.463 193 HB3 LEU 26 1HB LEU 26 7.328 -6.491 0.085 194 HG LEU 26 HG LEU 26 8.792 -7.116 2.028 195 HD11 LEU 26 1HD1 LEU 26 10.186 -9.114 1.809 196 HD12 LEU 26 2HD1 LEU 26 9.222 -9.628 0.425 197 HD13 LEU 26 3HD1 LEU 26 8.482 -9.508 2.020 198 HD21 LEU 26 1HD2 LEU 26 10.844 -6.993 0.730 199 HD22 LEU 26 2HD2 LEU 26 9.623 -5.893 0.095 200 HD23 LEU 26 3HD2 LEU 26 9.960 -7.411 -0.736 201 H HIS 27 H HIS 27 5.992 -5.412 1.453 202 HA HIS 27 HA HIS 27 6.948 -5.162 4.145 203 HB2 HIS 27 2HB HIS 27 5.645 -3.115 2.337 204 HB3 HIS 27 1HB HIS 27 6.342 -2.764 3.902 205 HD1 HIS 27 1HD HIS 27 8.906 -2.451 4.001 206 HD2 HIS 27 2HD HIS 27 7.508 -3.703 0.294 207 HE1 HIS 27 1HE HIS 27 10.783 -2.054 2.411 208 H ARG 28 H ARG 28 3.901 -5.585 2.660 209 HA ARG 28 HA ARG 28 1.879 -5.950 3.368 210 HB2 ARG 28 2HB ARG 28 3.200 -6.113 6.059 211 HB3 ARG 28 1HB ARG 28 1.463 -6.278 5.898 212 HG2 ARG 28 2HG ARG 28 3.562 -8.057 4.659 213 HG3 ARG 28 1HG ARG 28 2.539 -8.457 6.034 214 HD2 ARG 28 2HD ARG 28 0.624 -7.849 4.303 215 HD3 ARG 28 1HD ARG 28 1.868 -8.300 3.136 216 HE ARG 28 HE ARG 28 0.968 -10.055 5.313 217 HH11 ARG 28 1HH1 ARG 28 2.189 -9.854 2.039 218 HH12 ARG 28 2HH1 ARG 28 1.481 -11.313 1.505 219 HH21 ARG 28 1HH2 ARG 28 0.076 -12.057 4.667 220 HH22 ARG 28 2HH2 ARG 28 0.244 -12.643 3.070 221 H TRP 29 H TRP 29 2.951 -3.212 3.133 222 HA TRP 29 HA TRP 29 0.674 -1.874 4.323 223 HB2 TRP 29 2HB TRP 29 2.007 0.032 5.139 224 HB3 TRP 29 1HB TRP 29 2.409 -1.452 5.975 225 HD1 TRP 29 HD TRP 29 3.910 0.401 2.861 226 HE1 TRP 29 1HE TRP 29 6.488 0.439 3.143 227 HE3 TRP 29 3HE TRP 29 4.304 -2.069 7.314 228 HZ2 TRP 29 2HZ TRP 29 8.391 -0.423 4.999 229 HZ3 TRP 29 3HZ TRP 29 6.551 -2.407 8.269 230 HH2 TRP 29 HH TRP 29 8.540 -1.596 7.131 231 H CYS 30 H CYS 30 0.315 0.286 3.447 232 HA CYS 30 HA CYS 30 0.635 0.390 0.606 233 HB2 CYS 30 2HB CYS 30 -0.285 2.524 2.545 234 HB3 CYS 30 1HB CYS 30 -0.423 2.641 0.805 235 H LYS 31 H LYS 31 2.650 0.628 -0.069 236 HA LYS 31 HA LYS 31 4.395 2.546 1.280 237 HB2 LYS 31 2HB LYS 31 6.244 1.417 0.160 238 HB3 LYS 31 1HB LYS 31 5.275 0.273 1.069 239 HG2 LYS 31 2HG LYS 31 4.216 -0.469 -0.986 240 HG3 LYS 31 1HG LYS 31 5.143 0.718 -1.900 241 HD2 LYS 31 2HD LYS 31 6.331 -1.533 -0.274 242 HD3 LYS 31 1HD LYS 31 6.092 -1.551 -2.024 243 HE2 LYS 31 2HE LYS 31 7.617 0.360 -2.221 244 HE3 LYS 31 1HE LYS 31 7.865 0.341 -0.475 245 HZ1 LYS 31 1HZ LYS 31 8.508 -1.893 -2.312 246 HZ2 LYS 31 2HZ LYS 31 8.845 -1.862 -0.655 247 HZ3 LYS 31 3HZ LYS 31 9.629 -0.816 -1.701 248 H TYR 32 H TYR 32 5.886 3.722 -0.130 249 HA TYR 32 HA TYR 32 4.398 5.076 -2.229 250 HB2 TYR 32 2HB TYR 32 7.004 5.726 -0.827 251 HB3 TYR 32 1HB TYR 32 6.236 6.736 -2.043 252 HD1 TYR 32 1HD TYR 32 4.599 8.262 -1.448 253 HD2 TYR 32 2HD TYR 32 5.759 5.307 1.355 254 HE1 TYR 32 1HE TYR 32 3.282 9.400 0.284 255 HE2 TYR 32 2HE TYR 32 4.455 6.418 3.099 256 HH TYR 32 HH TYR 32 2.215 8.869 2.412 257 H VAL 33 H VAL 33 4.806 4.585 -4.275 258 HA VAL 33 HA VAL 33 7.409 3.405 -4.818 259 HB VAL 33 HB VAL 33 6.315 2.048 -6.708 260 HG11 VAL 33 1HG1 VAL 33 5.689 1.398 -3.829 261 HG12 VAL 33 2HG1 VAL 33 7.192 1.025 -4.680 262 HG13 VAL 33 3HG1 VAL 33 5.688 0.239 -5.157 263 HG21 VAL 33 1HG2 VAL 33 3.873 2.632 -5.041 264 HG22 VAL 33 2HG2 VAL 33 3.964 1.470 -6.372 265 HG23 VAL 33 3HG2 VAL 33 4.163 3.199 -6.681 266 H PHE 34 H PHE 34 8.466 4.903 -5.621 267 HA PHE 34 HA PHE 34 7.463 6.474 -7.857 268 HB2 PHE 34 2HB PHE 34 10.011 6.683 -6.230 269 HB3 PHE 34 1HB PHE 34 9.612 7.725 -7.587 270 HD1 PHE 34 1HD PHE 34 7.988 9.474 -7.369 271 HD2 PHE 34 2HD PHE 34 8.831 6.883 -4.104 272 HE1 PHE 34 1HE PHE 34 6.837 11.020 -5.847 273 HE2 PHE 34 2HE PHE 34 7.680 8.418 -2.582 274 HZ PHE 34 HZ PHE 34 6.681 10.495 -3.449 Start of MODEL 6 1 H1 ASP 1 1HT ASP 1 -10.289 10.048 0.299 2 H2 ASP 1 2HT ASP 1 -9.581 10.839 -1.015 3 H3 ASP 1 3HT ASP 1 -10.283 11.742 0.228 4 HA ASP 1 HA ASP 1 -7.901 11.778 0.303 5 HB2 ASP 1 2HB ASP 1 -9.264 10.320 2.587 6 HB3 ASP 1 1HB ASP 1 -7.673 11.060 2.697 7 H CYS 2 H CYS 2 -6.258 10.746 -0.473 8 HA CYS 2 HA CYS 2 -6.322 8.010 -1.100 9 HB2 CYS 2 2HB CYS 2 -4.233 10.130 -1.273 10 HB3 CYS 2 1HB CYS 2 -3.840 8.459 -1.632 11 H LEU 3 H LEU 3 -5.889 6.329 0.085 12 HA LEU 3 HA LEU 3 -4.584 6.569 2.632 13 HB2 LEU 3 2HB LEU 3 -5.350 4.098 1.094 14 HB3 LEU 3 1HB LEU 3 -4.904 4.166 2.781 15 HG LEU 3 HG LEU 3 -7.385 5.364 1.571 16 HD11 LEU 3 1HD1 LEU 3 -7.457 2.944 1.673 17 HD12 LEU 3 2HD1 LEU 3 -8.555 3.653 2.857 18 HD13 LEU 3 3HD1 LEU 3 -7.003 2.992 3.376 19 HD21 LEU 3 1HD2 LEU 3 -6.608 6.705 3.444 20 HD22 LEU 3 2HD2 LEU 3 -6.463 5.259 4.442 21 HD23 LEU 3 3HD2 LEU 3 -8.052 5.799 3.900 22 H GLY 4 H GLY 4 -2.544 6.161 3.057 23 HA2 GLY 4 2HA GLY 4 -0.821 4.582 1.472 24 HA3 GLY 4 1HA GLY 4 -0.565 6.304 1.186 25 H ALA 5 H ALA 5 1.189 6.892 2.231 26 HA ALA 5 HA ALA 5 2.683 7.293 3.846 27 HB1 ALA 5 1HB ALA 5 1.817 8.064 5.940 28 HB2 ALA 5 2HB ALA 5 0.271 7.264 5.641 29 HB3 ALA 5 3HB ALA 5 0.779 8.620 4.626 30 H PHE 6 H PHE 6 2.239 4.447 3.353 31 HA PHE 6 HA PHE 6 2.996 2.475 4.053 32 HB2 PHE 6 2HB PHE 6 4.302 4.038 6.298 33 HB3 PHE 6 1HB PHE 6 4.656 2.365 5.890 34 HD1 PHE 6 1HD PHE 6 5.820 1.837 3.796 35 HD2 PHE 6 2HD PHE 6 5.195 5.850 5.046 36 HE1 PHE 6 1HE PHE 6 7.555 2.598 2.218 37 HE2 PHE 6 2HE PHE 6 6.926 6.621 3.477 38 HZ PHE 6 HZ PHE 6 8.108 4.990 2.061 39 H ARG 7 H ARG 7 0.408 3.491 4.974 40 HA ARG 7 HA ARG 7 0.072 2.277 7.599 41 HB2 ARG 7 2HB ARG 7 -2.041 3.299 5.658 42 HB3 ARG 7 1HB ARG 7 -2.323 2.844 7.330 43 HG2 ARG 7 2HG ARG 7 -0.553 5.124 6.457 44 HG3 ARG 7 1HG ARG 7 -2.234 5.300 6.938 45 HD2 ARG 7 2HD ARG 7 -0.089 4.143 8.716 46 HD3 ARG 7 1HD ARG 7 -0.530 5.846 8.703 47 HE ARG 7 HE ARG 7 -2.756 4.073 9.135 48 HH11 ARG 7 1HH1 ARG 7 -0.107 5.749 10.775 49 HH12 ARG 7 2HH1 ARG 7 -0.918 5.940 12.256 50 HH21 ARG 7 1HH2 ARG 7 -3.887 4.301 11.162 51 HH22 ARG 7 2HH2 ARG 7 -3.156 5.083 12.488 52 H LYS 8 H LYS 8 -1.398 0.449 7.870 53 HA LYS 8 HA LYS 8 -0.550 -1.729 6.382 54 HB2 LYS 8 2HB LYS 8 -2.265 -3.027 7.564 55 HB3 LYS 8 1HB LYS 8 -1.303 -2.011 8.628 56 HG2 LYS 8 2HG LYS 8 -3.155 -0.421 8.763 57 HG3 LYS 8 1HG LYS 8 -4.091 -1.429 7.654 58 HD2 LYS 8 2HD LYS 8 -3.984 -3.280 9.242 59 HD3 LYS 8 1HD LYS 8 -3.050 -2.276 10.348 60 HE2 LYS 8 2HE LYS 8 -4.919 -0.750 10.585 61 HE3 LYS 8 1HE LYS 8 -5.850 -1.677 9.408 62 HZ1 LYS 8 1HZ LYS 8 -6.454 -2.215 11.705 63 HZ2 LYS 8 2HZ LYS 8 -4.885 -2.728 12.007 64 HZ3 LYS 8 3HZ LYS 8 -5.835 -3.543 10.886 65 H CYS 9 H CYS 9 -1.512 -3.199 4.956 66 HA CYS 9 HA CYS 9 -4.105 -2.643 3.857 67 HB2 CYS 9 2HB CYS 9 -3.255 -2.779 1.506 68 HB3 CYS 9 1HB CYS 9 -2.726 -1.326 2.347 69 H ILE 10 H ILE 10 -4.783 -4.458 2.425 70 HA ILE 10 HA ILE 10 -3.610 -6.971 3.293 71 HB ILE 10 HB ILE 10 -6.192 -6.335 1.815 72 HG12 ILE 10 2HG1 ILE 10 -5.677 -7.403 4.603 73 HG13 ILE 10 1HG1 ILE 10 -6.183 -5.769 4.201 74 HG21 ILE 10 1HG2 ILE 10 -5.157 -9.048 2.646 75 HG22 ILE 10 2HG2 ILE 10 -5.351 -8.468 0.995 76 HG23 ILE 10 3HG2 ILE 10 -6.769 -8.721 2.012 77 HD11 ILE 10 1HD1 ILE 10 -8.038 -7.079 5.032 78 HD12 ILE 10 2HD1 ILE 10 -7.770 -8.285 3.774 79 HD13 ILE 10 3HD1 ILE 10 -8.296 -6.660 3.336 80 HA PRO 11 HA PRO 11 -0.980 -6.677 -0.204 81 HB2 PRO 11 2HB PRO 11 -0.282 -9.340 -0.422 82 HB3 PRO 11 1HB PRO 11 0.408 -8.174 0.720 83 HG2 PRO 11 2HG PRO 11 -1.777 -10.156 1.169 84 HG3 PRO 11 1HG PRO 11 -0.382 -9.782 2.198 85 HD2 PRO 11 2HD PRO 11 -2.771 -8.790 2.762 86 HD3 PRO 11 1HD PRO 11 -1.322 -7.774 2.943 87 H ASP 12 H ASP 12 -3.501 -9.174 -0.419 88 HA ASP 12 HA ASP 12 -3.213 -9.128 -3.348 89 HB2 ASP 12 2HB ASP 12 -4.435 -11.195 -3.411 90 HB3 ASP 12 1HB ASP 12 -3.186 -11.341 -2.182 91 H ASN 13 H ASN 13 -4.905 -7.463 -1.152 92 HA ASN 13 HA ASN 13 -6.994 -6.750 -2.966 93 HB2 ASN 13 2HB ASN 13 -7.916 -8.849 -1.905 94 HB3 ASN 13 1HB ASN 13 -7.775 -8.077 -0.339 95 HD21 ASN 13 1HD2 ASN 13 -9.497 -8.132 -3.355 96 HD22 ASN 13 2HD2 ASN 13 -10.852 -7.203 -2.819 97 H ASP 14 H ASP 14 -5.538 -4.985 -2.571 98 HA ASP 14 HA ASP 14 -5.486 -3.852 0.101 99 HB2 ASP 14 2HB ASP 14 -3.775 -2.363 -0.690 100 HB3 ASP 14 1HB ASP 14 -3.380 -4.036 -1.062 101 H LYS 15 H LYS 15 -5.844 -1.786 0.562 102 HA LYS 15 HA LYS 15 -7.338 -0.217 -1.383 103 HB2 LYS 15 2HB LYS 15 -7.595 -0.225 1.623 104 HB3 LYS 15 1HB LYS 15 -8.435 0.879 0.553 105 HG2 LYS 15 2HG LYS 15 -9.582 -1.074 -0.472 106 HG3 LYS 15 1HG LYS 15 -8.778 -2.111 0.702 107 HD2 LYS 15 2HD LYS 15 -10.931 -1.730 1.581 108 HD3 LYS 15 1HD LYS 15 -9.871 -0.677 2.502 109 HE2 LYS 15 2HE LYS 15 -11.626 0.157 0.182 110 HE3 LYS 15 1HE LYS 15 -11.988 0.421 1.881 111 HZ1 LYS 15 1HZ LYS 15 -11.172 2.428 0.964 112 HZ2 LYS 15 2HZ LYS 15 -9.882 1.716 0.233 113 HZ3 LYS 15 3HZ LYS 15 -9.914 1.854 1.929 114 H CYS 16 H CYS 16 -5.446 0.676 -2.133 115 HA CYS 16 HA CYS 16 -4.248 2.698 -0.406 116 HB2 CYS 16 2HB CYS 16 -2.689 0.941 -2.346 117 HB3 CYS 16 1HB CYS 16 -2.028 2.201 -1.322 118 H CYS 17 H CYS 17 -3.682 4.551 -1.624 119 HA CYS 17 HA CYS 17 -5.306 4.976 -3.923 120 HB2 CYS 17 2HB CYS 17 -4.940 6.728 -2.302 121 HB3 CYS 17 1HB CYS 17 -3.211 6.682 -2.601 122 H ARG 18 H ARG 18 -4.765 3.948 -5.714 123 HA ARG 18 HA ARG 18 -2.048 3.476 -6.528 124 HB2 ARG 18 2HB ARG 18 -4.549 3.104 -8.201 125 HB3 ARG 18 1HB ARG 18 -3.027 2.251 -8.359 126 HG2 ARG 18 2HG ARG 18 -5.006 1.948 -6.097 127 HG3 ARG 18 1HG ARG 18 -4.768 0.822 -7.424 128 HD2 ARG 18 2HD ARG 18 -2.639 1.550 -5.409 129 HD3 ARG 18 1HD ARG 18 -3.697 0.155 -5.257 130 HE ARG 18 HE ARG 18 -1.957 0.481 -7.592 131 HH11 ARG 18 1HH1 ARG 18 -2.948 -1.472 -4.715 132 HH12 ARG 18 2HH1 ARG 18 -2.051 -2.794 -5.204 133 HH21 ARG 18 1HH2 ARG 18 -0.697 -1.382 -8.151 134 HH22 ARG 18 2HH2 ARG 18 -0.710 -2.754 -7.133 135 HA PRO 19 HA PRO 19 -1.109 3.143 -8.429 136 HB2 PRO 19 2HB PRO 19 0.500 3.794 -10.399 137 HB3 PRO 19 1HB PRO 19 -1.224 3.557 -10.721 138 HG2 PRO 19 2HG PRO 19 0.321 6.099 -10.523 139 HG3 PRO 19 1HG PRO 19 -1.040 5.696 -11.578 140 HD2 PRO 19 2HD PRO 19 -1.145 7.082 -9.095 141 HD3 PRO 19 1HD PRO 19 -2.524 6.507 -10.051 142 H ASN 20 H ASN 20 -0.508 5.919 -6.941 143 HA ASN 20 HA ASN 20 2.392 5.796 -6.889 144 HB2 ASN 20 2HB ASN 20 0.490 7.613 -5.395 145 HB3 ASN 20 1HB ASN 20 2.238 7.661 -5.204 146 HD21 ASN 20 1HD2 ASN 20 -0.437 8.462 -7.214 147 HD22 ASN 20 2HD2 ASN 20 0.440 9.395 -8.369 148 H LEU 21 H LEU 21 -0.299 4.860 -4.877 149 HA LEU 21 HA LEU 21 1.605 3.800 -2.952 150 HB2 LEU 21 2HB LEU 21 -1.374 4.377 -2.643 151 HB3 LEU 21 1HB LEU 21 -0.388 3.483 -1.517 152 HG LEU 21 HG LEU 21 -0.802 5.652 -0.719 153 HD11 LEU 21 1HD1 LEU 21 1.488 6.212 -0.140 154 HD12 LEU 21 2HD1 LEU 21 2.062 5.142 -1.412 155 HD13 LEU 21 3HD1 LEU 21 1.161 4.483 -0.046 156 HD21 LEU 21 1HD2 LEU 21 0.767 6.681 -3.088 157 HD22 LEU 21 2HD2 LEU 21 0.248 7.648 -1.705 158 HD23 LEU 21 3HD2 LEU 21 -0.950 6.942 -2.790 159 H VAL 22 H VAL 22 1.978 1.790 -3.080 160 HA VAL 22 HA VAL 22 -0.064 0.002 -4.179 161 HB VAL 22 HB VAL 22 1.763 -1.478 -5.000 162 HG11 VAL 22 1HG1 VAL 22 1.877 1.329 -6.086 163 HG12 VAL 22 2HG1 VAL 22 0.742 0.064 -6.561 164 HG13 VAL 22 3HG1 VAL 22 2.462 -0.111 -6.916 165 HG21 VAL 22 1HG2 VAL 22 3.596 0.807 -4.244 166 HG22 VAL 22 2HG2 VAL 22 4.070 -0.621 -5.165 167 HG23 VAL 22 3HG2 VAL 22 3.552 -0.785 -3.487 168 H CYS 23 H CYS 23 0.059 -2.191 -3.253 169 HA CYS 23 HA CYS 23 0.648 -1.905 -0.425 170 HB2 CYS 23 2HB CYS 23 -1.582 -2.692 -1.196 171 HB3 CYS 23 1HB CYS 23 -0.806 -4.100 -1.900 172 H SER 24 H SER 24 2.437 -2.712 0.357 173 HA SER 24 HA SER 24 4.238 -4.304 -1.140 174 HB2 SER 24 2HB SER 24 5.002 -2.815 0.666 175 HB3 SER 24 1HB SER 24 4.072 -3.739 1.839 176 HG SER 24 HG SER 24 6.410 -4.438 0.449 177 H ARG 25 H ARG 25 4.294 -6.550 -1.294 178 HA ARG 25 HA ARG 25 2.101 -7.916 -0.060 179 HB2 ARG 25 2HB ARG 25 2.908 -9.994 -1.122 180 HB3 ARG 25 1HB ARG 25 2.663 -8.693 -2.267 181 HG2 ARG 25 2HG ARG 25 4.939 -8.430 -2.637 182 HG3 ARG 25 1HG ARG 25 5.370 -9.265 -1.141 183 HD2 ARG 25 2HD ARG 25 5.766 -10.619 -3.172 184 HD3 ARG 25 1HD ARG 25 4.659 -11.367 -2.032 185 HE ARG 25 HE ARG 25 3.762 -9.944 -4.454 186 HH11 ARG 25 1HH1 ARG 25 3.522 -12.704 -2.238 187 HH12 ARG 25 2HH1 ARG 25 2.357 -13.517 -3.162 188 HH21 ARG 25 1HH2 ARG 25 2.110 -11.075 -5.700 189 HH22 ARG 25 2HH2 ARG 25 1.536 -12.578 -5.151 190 H LEU 26 H LEU 26 5.485 -7.607 0.490 191 HA LEU 26 HA LEU 26 5.550 -9.736 2.427 192 HB2 LEU 26 2HB LEU 26 7.607 -7.640 1.745 193 HB3 LEU 26 1HB LEU 26 7.864 -8.995 2.821 194 HG LEU 26 HG LEU 26 7.304 -9.203 -0.142 195 HD11 LEU 26 1HD1 LEU 26 9.502 -8.275 0.320 196 HD12 LEU 26 2HD1 LEU 26 9.624 -9.915 -0.318 197 HD13 LEU 26 3HD1 LEU 26 9.851 -9.621 1.406 198 HD21 LEU 26 1HD2 LEU 26 6.448 -11.135 1.061 199 HD22 LEU 26 2HD2 LEU 26 7.986 -11.314 1.904 200 HD23 LEU 26 3HD2 LEU 26 7.901 -11.573 0.162 201 H HIS 27 H HIS 27 5.624 -6.181 2.461 202 HA HIS 27 HA HIS 27 5.722 -6.259 5.357 203 HB2 HIS 27 2HB HIS 27 5.896 -3.945 3.445 204 HB3 HIS 27 1HB HIS 27 5.960 -3.787 5.192 205 HD1 HIS 27 1HD HIS 27 8.170 -4.461 6.345 206 HD2 HIS 27 2HD HIS 27 8.153 -5.016 2.236 207 HE1 HIS 27 1HE HIS 27 10.578 -4.805 5.694 208 H ARG 28 H ARG 28 3.401 -6.111 2.997 209 HA ARG 28 HA ARG 28 1.335 -5.417 2.800 210 HB2 ARG 28 2HB ARG 28 -0.256 -6.270 4.552 211 HB3 ARG 28 1HB ARG 28 0.849 -7.448 3.879 212 HG2 ARG 28 2HG ARG 28 2.195 -7.369 5.888 213 HG3 ARG 28 1HG ARG 28 1.178 -6.101 6.560 214 HD2 ARG 28 2HD ARG 28 0.323 -8.918 5.876 215 HD3 ARG 28 1HD ARG 28 0.580 -8.272 7.495 216 HE ARG 28 HE ARG 28 -1.253 -6.610 6.643 217 HH11 ARG 28 1HH1 ARG 28 -1.147 -10.151 6.319 218 HH12 ARG 28 2HH1 ARG 28 -2.839 -10.321 6.205 219 HH21 ARG 28 1HH2 ARG 28 -3.615 -6.888 6.555 220 HH22 ARG 28 2HH2 ARG 28 -4.259 -8.455 6.391 221 H TRP 29 H TRP 29 2.525 -3.234 3.073 222 HA TRP 29 HA TRP 29 0.478 -1.647 4.335 223 HB2 TRP 29 2HB TRP 29 2.081 0.060 5.138 224 HB3 TRP 29 1HB TRP 29 2.314 -1.474 5.947 225 HD1 TRP 29 HD TRP 29 3.932 -0.123 2.652 226 HE1 TRP 29 1HE TRP 29 6.500 -0.266 2.916 227 HE3 TRP 29 3HE TRP 29 4.137 -1.846 7.445 228 HZ2 TRP 29 2HZ TRP 29 8.356 -0.978 4.932 229 HZ3 TRP 29 3HZ TRP 29 6.343 -2.213 8.477 230 HH2 TRP 29 HH TRP 29 8.400 -1.785 7.237 231 H CYS 30 H CYS 30 0.225 0.422 3.394 232 HA CYS 30 HA CYS 30 0.528 0.372 0.559 233 HB2 CYS 30 2HB CYS 30 -0.386 2.542 2.443 234 HB3 CYS 30 1HB CYS 30 -0.513 2.664 0.706 235 H LYS 31 H LYS 31 2.548 0.534 -0.114 236 HA LYS 31 HA LYS 31 4.322 2.546 1.061 237 HB2 LYS 31 2HB LYS 31 6.148 1.356 -0.102 238 HB3 LYS 31 1HB LYS 31 5.276 0.295 0.985 239 HG2 LYS 31 2HG LYS 31 4.119 -0.735 -0.856 240 HG3 LYS 31 1HG LYS 31 4.799 0.432 -1.982 241 HD2 LYS 31 2HD LYS 31 6.568 -1.389 -0.366 242 HD3 LYS 31 1HD LYS 31 5.826 -1.944 -1.858 243 HE2 LYS 31 2HE LYS 31 8.072 -1.201 -2.344 244 HE3 LYS 31 1HE LYS 31 6.943 -0.065 -3.058 245 HZ1 LYS 31 1HZ LYS 31 8.414 0.366 -0.507 246 HZ2 LYS 31 2HZ LYS 31 7.451 1.519 -1.321 247 HZ3 LYS 31 3HZ LYS 31 8.863 0.973 -2.005 248 H TYR 32 H TYR 32 5.679 3.700 -0.494 249 HA TYR 32 HA TYR 32 4.041 4.573 -2.701 250 HB2 TYR 32 2HB TYR 32 6.649 5.660 -1.589 251 HB3 TYR 32 1HB TYR 32 5.746 6.367 -2.929 252 HD1 TYR 32 1HD TYR 32 3.582 7.437 -2.546 253 HD2 TYR 32 2HD TYR 32 5.912 5.967 0.688 254 HE1 TYR 32 1HE TYR 32 2.202 8.700 -0.996 255 HE2 TYR 32 2HE TYR 32 4.545 7.239 2.260 256 HH TYR 32 HH TYR 32 3.102 9.194 2.258 257 H VAL 33 H VAL 33 4.905 4.678 -4.795 258 HA VAL 33 HA VAL 33 6.349 2.369 -5.490 259 HB VAL 33 HB VAL 33 6.377 3.320 -7.865 260 HG11 VAL 33 1HG1 VAL 33 3.750 3.051 -6.402 261 HG12 VAL 33 2HG1 VAL 33 4.713 1.724 -7.052 262 HG13 VAL 33 3HG1 VAL 33 3.971 2.894 -8.144 263 HG21 VAL 33 1HG2 VAL 33 4.602 5.401 -6.565 264 HG22 VAL 33 2HG2 VAL 33 4.863 5.211 -8.299 265 HG23 VAL 33 3HG2 VAL 33 6.195 5.702 -7.250 266 H PHE 34 H PHE 34 8.079 2.571 -4.241 267 HA PHE 34 HA PHE 34 10.407 3.439 -5.639 268 HB2 PHE 34 2HB PHE 34 9.794 5.369 -4.087 269 HB3 PHE 34 1HB PHE 34 9.959 4.249 -2.740 270 HD1 PHE 34 1HD PHE 34 11.730 6.066 -5.393 271 HD2 PHE 34 2HD PHE 34 12.145 3.596 -1.952 272 HE1 PHE 34 1HE PHE 34 14.125 6.592 -5.309 273 HE2 PHE 34 2HE PHE 34 14.546 4.118 -1.865 274 HZ PHE 34 HZ PHE 34 15.541 5.616 -3.537 Start of MODEL 7 1 H1 ASP 1 1HT ASP 1 -6.561 13.195 -3.213 2 H2 ASP 1 2HT ASP 1 -7.928 13.923 -2.504 3 H3 ASP 1 3HT ASP 1 -8.002 12.377 -3.157 4 HA ASP 1 HA ASP 1 -6.277 12.964 -0.874 5 HB2 ASP 1 2HB ASP 1 -9.029 11.691 -0.956 6 HB3 ASP 1 1HB ASP 1 -7.969 11.688 0.444 7 H CYS 2 H CYS 2 -5.225 11.077 -0.159 8 HA CYS 2 HA CYS 2 -5.701 8.743 -1.814 9 HB2 CYS 2 2HB CYS 2 -3.713 9.802 -2.745 10 HB3 CYS 2 1HB CYS 2 -2.981 9.865 -1.147 11 H LEU 3 H LEU 3 -5.726 6.910 -0.766 12 HA LEU 3 HA LEU 3 -5.373 6.950 2.128 13 HB2 LEU 3 2HB LEU 3 -6.359 4.764 0.305 14 HB3 LEU 3 1HB LEU 3 -6.454 4.794 2.050 15 HG LEU 3 HG LEU 3 -7.929 6.672 0.220 16 HD11 LEU 3 1HD1 LEU 3 -8.690 4.382 -0.038 17 HD12 LEU 3 2HD1 LEU 3 -9.888 5.371 0.793 18 HD13 LEU 3 3HD1 LEU 3 -8.892 4.243 1.711 19 HD21 LEU 3 1HD2 LEU 3 -7.522 7.632 2.419 20 HD22 LEU 3 2HD2 LEU 3 -8.158 6.180 3.192 21 HD23 LEU 3 3HD2 LEU 3 -9.226 7.214 2.241 22 H GLY 4 H GLY 4 -3.975 5.368 3.110 23 HA2 GLY 4 2HA GLY 4 -2.519 3.390 2.208 24 HA3 GLY 4 1HA GLY 4 -1.714 4.726 1.401 25 H ALA 5 H ALA 5 -0.683 6.299 2.648 26 HA ALA 5 HA ALA 5 0.874 6.900 4.211 27 HB1 ALA 5 1HB ALA 5 -0.096 7.466 6.343 28 HB2 ALA 5 2HB ALA 5 -1.477 6.415 6.019 29 HB3 ALA 5 3HB ALA 5 -1.214 7.860 5.036 30 H PHE 6 H PHE 6 1.353 4.183 3.661 31 HA PHE 6 HA PHE 6 2.543 2.435 4.388 32 HB2 PHE 6 2HB PHE 6 2.995 4.067 6.900 33 HB3 PHE 6 1HB PHE 6 3.876 2.618 6.454 34 HD1 PHE 6 1HD PHE 6 3.747 6.153 6.284 35 HD2 PHE 6 2HD PHE 6 5.226 2.710 4.266 36 HE1 PHE 6 1HE PHE 6 5.421 7.545 5.149 37 HE2 PHE 6 2HE PHE 6 6.899 4.098 3.121 38 HZ PHE 6 HZ PHE 6 7.001 6.524 3.568 39 H ARG 7 H ARG 7 -0.383 2.661 5.058 40 HA ARG 7 HA ARG 7 -0.585 1.293 7.582 41 HB2 ARG 7 2HB ARG 7 -2.697 1.627 5.437 42 HB3 ARG 7 1HB ARG 7 -2.974 0.915 7.008 43 HG2 ARG 7 2HG ARG 7 -2.353 3.793 6.367 44 HG3 ARG 7 1HG ARG 7 -3.853 3.132 6.998 45 HD2 ARG 7 2HD ARG 7 -2.841 4.114 8.853 46 HD3 ARG 7 1HD ARG 7 -2.436 2.404 9.015 47 HE ARG 7 HE ARG 7 -0.518 4.034 7.615 48 HH11 ARG 7 1HH1 ARG 7 -1.394 2.584 10.717 49 HH12 ARG 7 2HH1 ARG 7 0.154 2.800 11.394 50 HH21 ARG 7 1HH2 ARG 7 1.527 4.375 8.532 51 HH22 ARG 7 2HH2 ARG 7 1.883 3.838 10.114 52 H LYS 8 H LYS 8 -0.603 -0.774 7.945 53 HA LYS 8 HA LYS 8 0.260 -2.571 5.981 54 HB2 LYS 8 2HB LYS 8 -0.961 -3.120 8.690 55 HB3 LYS 8 1HB LYS 8 -0.305 -4.383 7.652 56 HG2 LYS 8 2HG LYS 8 1.888 -3.239 7.683 57 HG3 LYS 8 1HG LYS 8 1.226 -2.051 8.802 58 HD2 LYS 8 2HD LYS 8 1.409 -5.021 9.324 59 HD3 LYS 8 1HD LYS 8 2.558 -3.825 9.911 60 HE2 LYS 8 2HE LYS 8 -0.383 -3.919 10.581 61 HE3 LYS 8 1HE LYS 8 0.929 -4.466 11.621 62 HZ1 LYS 8 1HZ LYS 8 0.190 -2.260 12.237 63 HZ2 LYS 8 2HZ LYS 8 0.513 -1.669 10.703 64 HZ3 LYS 8 3HZ LYS 8 1.769 -2.184 11.678 65 H CYS 9 H CYS 9 -0.710 -3.807 4.603 66 HA CYS 9 HA CYS 9 -3.579 -3.282 4.298 67 HB2 CYS 9 2HB CYS 9 -3.048 -3.349 1.850 68 HB3 CYS 9 1HB CYS 9 -2.382 -1.982 2.746 69 H ILE 10 H ILE 10 -4.700 -4.740 2.928 70 HA ILE 10 HA ILE 10 -3.847 -7.515 3.153 71 HB ILE 10 HB ILE 10 -6.531 -6.287 2.403 72 HG12 ILE 10 2HG1 ILE 10 -6.048 -5.904 4.759 73 HG13 ILE 10 1HG1 ILE 10 -7.337 -7.088 4.592 74 HG21 ILE 10 1HG2 ILE 10 -5.850 -9.178 2.902 75 HG22 ILE 10 2HG2 ILE 10 -6.236 -8.449 1.343 76 HG23 ILE 10 3HG2 ILE 10 -7.466 -8.540 2.602 77 HD11 ILE 10 1HD1 ILE 10 -4.452 -7.676 5.225 78 HD12 ILE 10 2HD1 ILE 10 -5.730 -8.877 5.047 79 HD13 ILE 10 3HD1 ILE 10 -5.804 -7.701 6.358 80 HA PRO 11 HA PRO 11 -2.456 -6.611 -1.062 81 HB2 PRO 11 2HB PRO 11 -1.913 -9.241 -1.727 82 HB3 PRO 11 1HB PRO 11 -0.800 -8.147 -0.903 83 HG2 PRO 11 2HG PRO 11 -2.627 -10.213 0.256 84 HG3 PRO 11 1HG PRO 11 -0.950 -9.833 0.694 85 HD2 PRO 11 2HD PRO 11 -2.964 -8.992 2.190 86 HD3 PRO 11 1HD PRO 11 -1.572 -7.931 1.886 87 H ASP 12 H ASP 12 -5.060 -8.815 -0.307 88 HA ASP 12 HA ASP 12 -5.837 -9.058 -3.119 89 HB2 ASP 12 2HB ASP 12 -6.135 -11.032 -1.717 90 HB3 ASP 12 1HB ASP 12 -7.139 -10.110 -0.604 91 H ASN 13 H ASN 13 -6.367 -6.866 -0.610 92 HA ASN 13 HA ASN 13 -8.283 -5.456 -2.150 93 HB2 ASN 13 2HB ASN 13 -9.844 -6.992 -1.018 94 HB3 ASN 13 1HB ASN 13 -9.194 -6.501 0.543 95 HD21 ASN 13 1HD2 ASN 13 -11.221 -5.820 1.209 96 HD22 ASN 13 2HD2 ASN 13 -11.962 -4.368 0.661 97 H ASP 14 H ASP 14 -6.374 -4.271 -2.036 98 HA ASP 14 HA ASP 14 -5.927 -2.796 0.418 99 HB2 ASP 14 2HB ASP 14 -4.026 -1.769 -0.741 100 HB3 ASP 14 1HB ASP 14 -3.942 -3.523 -0.832 101 H LYS 15 H LYS 15 -6.316 -0.655 0.645 102 HA LYS 15 HA LYS 15 -7.695 0.673 -1.567 103 HB2 LYS 15 2HB LYS 15 -8.147 1.058 1.402 104 HB3 LYS 15 1HB LYS 15 -8.947 1.968 0.134 105 HG2 LYS 15 2HG LYS 15 -10.160 0.016 -0.565 106 HG3 LYS 15 1HG LYS 15 -9.223 -1.007 0.530 107 HD2 LYS 15 2HD LYS 15 -10.105 0.289 2.442 108 HD3 LYS 15 1HD LYS 15 -11.089 1.228 1.323 109 HE2 LYS 15 2HE LYS 15 -11.261 -1.760 1.614 110 HE3 LYS 15 1HE LYS 15 -12.277 -0.634 2.508 111 HZ1 LYS 15 1HZ LYS 15 -12.186 -0.891 -0.462 112 HZ2 LYS 15 2HZ LYS 15 -13.160 0.164 0.413 113 HZ3 LYS 15 3HZ LYS 15 -13.378 -1.501 0.567 114 H CYS 16 H CYS 16 -5.681 1.555 -2.319 115 HA CYS 16 HA CYS 16 -4.645 3.771 -0.842 116 HB2 CYS 16 2HB CYS 16 -2.876 1.449 -1.801 117 HB3 CYS 16 1HB CYS 16 -2.324 2.927 -1.038 118 H CYS 17 H CYS 17 -3.560 5.211 -2.505 119 HA CYS 17 HA CYS 17 -4.849 4.685 -5.009 120 HB2 CYS 17 2HB CYS 17 -4.091 6.911 -5.752 121 HB3 CYS 17 1HB CYS 17 -4.889 6.991 -4.193 122 H ARG 18 H ARG 18 -3.884 2.892 -5.790 123 HA ARG 18 HA ARG 18 -1.080 2.883 -6.344 124 HB2 ARG 18 2HB ARG 18 -1.354 0.737 -7.432 125 HB3 ARG 18 1HB ARG 18 -2.404 0.736 -6.035 126 HG2 ARG 18 2HG ARG 18 -3.316 1.209 -8.875 127 HG3 ARG 18 1HG ARG 18 -3.352 -0.347 -8.056 128 HD2 ARG 18 2HD ARG 18 -4.835 2.136 -7.214 129 HD3 ARG 18 1HD ARG 18 -5.542 0.765 -8.062 130 HE ARG 18 HE ARG 18 -4.305 -0.116 -5.698 131 HH11 ARG 18 1HH1 ARG 18 -7.200 1.627 -6.785 132 HH12 ARG 18 2HH1 ARG 18 -8.084 1.266 -5.377 133 HH21 ARG 18 1HH2 ARG 18 -5.511 -0.573 -3.801 134 HH22 ARG 18 2HH2 ARG 18 -7.127 -0.021 -3.660 135 HA PRO 19 HA PRO 19 0.256 2.028 -7.805 136 HB2 PRO 19 2HB PRO 19 2.153 2.551 -9.566 137 HB3 PRO 19 1HB PRO 19 0.733 1.598 -10.018 138 HG2 PRO 19 2HG PRO 19 1.409 4.411 -10.692 139 HG3 PRO 19 1HG PRO 19 0.492 3.218 -11.629 140 HD2 PRO 19 2HD PRO 19 -0.540 5.289 -9.959 141 HD3 PRO 19 1HD PRO 19 -1.454 4.015 -10.789 142 H ASN 20 H ASN 20 -0.254 5.045 -7.112 143 HA ASN 20 HA ASN 20 2.393 6.100 -6.722 144 HB2 ASN 20 2HB ASN 20 -0.264 6.934 -5.505 145 HB3 ASN 20 1HB ASN 20 1.234 7.820 -5.316 146 HD21 ASN 20 1HD2 ASN 20 0.357 9.648 -6.228 147 HD22 ASN 20 2HD2 ASN 20 0.023 9.795 -7.915 148 H LEU 21 H LEU 21 -0.132 4.745 -4.695 149 HA LEU 21 HA LEU 21 1.922 3.870 -2.808 150 HB2 LEU 21 2HB LEU 21 -0.970 4.593 -2.195 151 HB3 LEU 21 1HB LEU 21 0.084 3.730 -1.129 152 HG LEU 21 HG LEU 21 1.647 5.659 -1.062 153 HD11 LEU 21 1HD1 LEU 21 -0.555 7.149 -2.454 154 HD12 LEU 21 2HD1 LEU 21 1.045 6.782 -3.095 155 HD13 LEU 21 3HD1 LEU 21 0.878 7.863 -1.709 156 HD21 LEU 21 1HD2 LEU 21 0.268 6.981 0.457 157 HD22 LEU 21 2HD2 LEU 21 0.138 5.241 0.708 158 HD23 LEU 21 3HD2 LEU 21 -1.162 6.115 -0.123 159 H VAL 22 H VAL 22 2.154 1.845 -2.807 160 HA VAL 22 HA VAL 22 -0.084 0.198 -3.715 161 HB VAL 22 HB VAL 22 1.603 -1.383 -4.753 162 HG11 VAL 22 1HG1 VAL 22 1.919 -0.053 -6.789 163 HG12 VAL 22 2HG1 VAL 22 1.481 1.404 -5.895 164 HG13 VAL 22 3HG1 VAL 22 0.290 0.124 -6.136 165 HG21 VAL 22 1HG2 VAL 22 3.592 -0.591 -3.564 166 HG22 VAL 22 2HG2 VAL 22 3.471 0.964 -4.386 167 HG23 VAL 22 3HG2 VAL 22 3.821 -0.498 -5.310 168 H CYS 23 H CYS 23 -0.270 -1.851 -2.855 169 HA CYS 23 HA CYS 23 0.547 -2.057 -0.132 170 HB2 CYS 23 2HB CYS 23 -1.683 -2.788 -0.959 171 HB3 CYS 23 1HB CYS 23 -0.899 -4.018 -1.938 172 H SER 24 H SER 24 2.812 -2.288 -0.049 173 HA SER 24 HA SER 24 4.182 -4.011 -1.785 174 HB2 SER 24 2HB SER 24 4.895 -2.628 0.763 175 HB3 SER 24 1HB SER 24 6.059 -3.313 -0.371 176 HG SER 24 HG SER 24 4.289 -1.818 -1.665 177 H ARG 25 H ARG 25 4.620 -6.110 -1.563 178 HA ARG 25 HA ARG 25 3.307 -7.744 0.248 179 HB2 ARG 25 2HB ARG 25 3.824 -8.347 -2.009 180 HB3 ARG 25 1HB ARG 25 5.542 -8.164 -1.710 181 HG2 ARG 25 2HG ARG 25 5.046 -10.443 -1.779 182 HG3 ARG 25 1HG ARG 25 5.397 -9.985 -0.102 183 HD2 ARG 25 2HD ARG 25 3.494 -11.508 -0.151 184 HD3 ARG 25 1HD ARG 25 2.971 -9.899 0.346 185 HE ARG 25 HE ARG 25 2.677 -10.087 -2.414 186 HH11 ARG 25 1HH1 ARG 25 1.229 -11.441 0.519 187 HH12 ARG 25 2HH1 ARG 25 -0.263 -11.813 -0.201 188 HH21 ARG 25 1HH2 ARG 25 0.615 -10.582 -3.434 189 HH22 ARG 25 2HH2 ARG 25 -0.621 -11.293 -2.527 190 H LEU 26 H LEU 26 6.707 -6.773 -0.056 191 HA LEU 26 HA LEU 26 7.670 -8.445 2.043 192 HB2 LEU 26 2HB LEU 26 9.105 -7.712 0.254 193 HB3 LEU 26 1HB LEU 26 8.878 -6.037 0.701 194 HG LEU 26 HG LEU 26 10.053 -6.502 2.845 195 HD11 LEU 26 1HD1 LEU 26 9.648 -8.879 3.033 196 HD12 LEU 26 2HD1 LEU 26 11.381 -8.553 3.041 197 HD13 LEU 26 3HD1 LEU 26 10.606 -9.180 1.585 198 HD21 LEU 26 1HD2 LEU 26 12.279 -6.582 1.866 199 HD22 LEU 26 2HD2 LEU 26 11.215 -5.543 0.919 200 HD23 LEU 26 3HD2 LEU 26 11.598 -7.171 0.355 201 H HIS 27 H HIS 27 6.408 -5.267 1.917 202 HA HIS 27 HA HIS 27 7.390 -4.618 4.590 203 HB2 HIS 27 2HB HIS 27 5.796 -2.936 2.643 204 HB3 HIS 27 1HB HIS 27 6.469 -2.373 4.161 205 HD1 HIS 27 1HD HIS 27 8.926 -1.628 4.124 206 HD2 HIS 27 2HD HIS 27 7.750 -3.526 0.624 207 HE1 HIS 27 1HE HIS 27 10.756 -1.205 2.425 208 H ARG 28 H ARG 28 4.567 -5.580 2.888 209 HA ARG 28 HA ARG 28 2.546 -6.208 3.393 210 HB2 ARG 28 2HB ARG 28 3.477 -6.078 6.260 211 HB3 ARG 28 1HB ARG 28 1.893 -6.666 5.775 212 HG2 ARG 28 2HG ARG 28 2.966 -8.431 4.448 213 HG3 ARG 28 1HG ARG 28 4.545 -7.847 4.976 214 HD2 ARG 28 2HD ARG 28 3.826 -9.749 6.316 215 HD3 ARG 28 1HD ARG 28 3.938 -8.279 7.285 216 HE ARG 28 HE ARG 28 1.341 -8.930 6.200 217 HH11 ARG 28 1HH1 ARG 28 3.506 -9.012 8.992 218 HH12 ARG 28 2HH1 ARG 28 2.290 -9.334 10.136 219 HH21 ARG 28 1HH2 ARG 28 -0.379 -9.343 7.796 220 HH22 ARG 28 2HH2 ARG 28 0.019 -9.526 9.434 221 H TRP 29 H TRP 29 3.449 -3.370 3.313 222 HA TRP 29 HA TRP 29 0.903 -2.304 4.137 223 HB2 TRP 29 2HB TRP 29 1.852 -0.293 5.147 224 HB3 TRP 29 1HB TRP 29 2.331 -1.729 6.019 225 HD1 TRP 29 HD TRP 29 4.105 0.128 3.046 226 HE1 TRP 29 1HE TRP 29 6.525 0.678 3.813 227 HE3 TRP 29 3HE TRP 29 3.915 -1.728 7.805 228 HZ2 TRP 29 2HZ TRP 29 8.097 0.384 6.103 229 HZ3 TRP 29 3HZ TRP 29 5.918 -1.548 9.222 230 HH2 TRP 29 HH TRP 29 7.966 -0.515 8.383 231 H CYS 30 H CYS 30 0.361 -0.318 3.211 232 HA CYS 30 HA CYS 30 1.116 -0.107 0.464 233 HB2 CYS 30 2HB CYS 30 -0.634 1.473 2.277 234 HB3 CYS 30 1HB CYS 30 -0.322 2.043 0.656 235 H LYS 31 H LYS 31 3.039 0.625 -0.018 236 HA LYS 31 HA LYS 31 4.057 2.791 1.640 237 HB2 LYS 31 2HB LYS 31 6.220 1.990 1.379 238 HB3 LYS 31 1HB LYS 31 5.292 0.536 1.384 239 HG2 LYS 31 2HG LYS 31 5.479 0.281 -0.983 240 HG3 LYS 31 1HG LYS 31 6.265 1.859 -1.129 241 HD2 LYS 31 2HD LYS 31 8.120 1.045 0.295 242 HD3 LYS 31 1HD LYS 31 7.305 -0.519 0.384 243 HE2 LYS 31 2HE LYS 31 8.153 0.711 -2.228 244 HE3 LYS 31 1HE LYS 31 9.221 -0.312 -1.275 245 HZ1 LYS 31 1HZ LYS 31 7.773 -2.135 -1.540 246 HZ2 LYS 31 2HZ LYS 31 7.923 -1.487 -3.073 247 HZ3 LYS 31 3HZ LYS 31 6.532 -1.217 -2.178 248 H TYR 32 H TYR 32 5.206 4.463 0.617 249 HA TYR 32 HA TYR 32 3.943 5.364 -1.807 250 HB2 TYR 32 2HB TYR 32 6.098 6.589 -0.061 251 HB3 TYR 32 1HB TYR 32 5.352 7.392 -1.430 252 HD1 TYR 32 1HD TYR 32 3.292 8.511 -1.199 253 HD2 TYR 32 2HD TYR 32 4.706 6.056 1.963 254 HE1 TYR 32 1HE TYR 32 1.561 9.419 0.282 255 HE2 TYR 32 2HE TYR 32 2.998 6.945 3.443 256 HH TYR 32 HH TYR 32 1.637 9.010 3.615 257 H VAL 33 H VAL 33 4.781 5.007 -3.767 258 HA VAL 33 HA VAL 33 7.619 4.391 -3.831 259 HB VAL 33 HB VAL 33 7.202 3.101 -5.985 260 HG11 VAL 33 1HG1 VAL 33 5.924 2.088 -3.447 261 HG12 VAL 33 2HG1 VAL 33 7.634 1.977 -3.877 262 HG13 VAL 33 3HG1 VAL 33 6.430 1.084 -4.805 263 HG21 VAL 33 1HG2 VAL 33 4.345 3.237 -5.029 264 HG22 VAL 33 2HG2 VAL 33 4.941 2.233 -6.355 265 HG23 VAL 33 3HG2 VAL 33 4.985 3.995 -6.484 266 H PHE 34 H PHE 34 8.135 6.457 -3.934 267 HA PHE 34 HA PHE 34 7.918 7.657 -6.597 268 HB2 PHE 34 2HB PHE 34 7.930 9.093 -3.920 269 HB3 PHE 34 1HB PHE 34 8.072 9.891 -5.475 270 HD1 PHE 34 1HD PHE 34 5.818 7.950 -3.309 271 HD2 PHE 34 2HD PHE 34 6.154 10.438 -6.727 272 HE1 PHE 34 1HE PHE 34 3.361 8.193 -3.367 273 HE2 PHE 34 2HE PHE 34 3.714 10.686 -6.797 274 HZ PHE 34 HZ PHE 34 2.317 9.568 -5.117 Start of MODEL 8 1 H1 ASP 1 1HT ASP 1 -9.883 10.157 1.805 2 H2 ASP 1 2HT ASP 1 -10.027 10.514 3.460 3 H3 ASP 1 3HT ASP 1 -9.571 8.958 2.937 4 HA ASP 1 HA ASP 1 -7.985 11.369 2.446 5 HB2 ASP 1 2HB ASP 1 -7.631 9.136 4.468 6 HB3 ASP 1 1HB ASP 1 -6.396 10.321 4.073 7 H CYS 2 H CYS 2 -5.809 10.709 1.711 8 HA CYS 2 HA CYS 2 -6.040 8.711 -0.324 9 HB2 CYS 2 2HB CYS 2 -4.754 10.817 -0.683 10 HB3 CYS 2 1HB CYS 2 -3.648 10.322 0.602 11 H LEU 3 H LEU 3 -5.999 6.677 0.298 12 HA LEU 3 HA LEU 3 -4.870 5.729 2.677 13 HB2 LEU 3 2HB LEU 3 -5.510 4.274 0.170 14 HB3 LEU 3 1HB LEU 3 -5.168 3.487 1.693 15 HG LEU 3 HG LEU 3 -7.559 5.277 1.163 16 HD11 LEU 3 1HD1 LEU 3 -7.719 3.132 0.004 17 HD12 LEU 3 2HD1 LEU 3 -8.873 3.233 1.334 18 HD13 LEU 3 3HD1 LEU 3 -7.396 2.288 1.516 19 HD21 LEU 3 1HD2 LEU 3 -6.800 3.643 3.583 20 HD22 LEU 3 2HD2 LEU 3 -8.327 4.488 3.359 21 HD23 LEU 3 3HD2 LEU 3 -6.824 5.404 3.476 22 H GLY 4 H GLY 4 -2.969 5.408 3.160 23 HA2 GLY 4 2HA GLY 4 -0.894 4.257 1.732 24 HA3 GLY 4 1HA GLY 4 -0.792 5.989 1.444 25 H ALA 5 H ALA 5 0.885 6.658 2.602 26 HA ALA 5 HA ALA 5 2.225 7.180 4.327 27 HB1 ALA 5 1HB ALA 5 0.192 8.379 4.997 28 HB2 ALA 5 2HB ALA 5 1.168 7.852 6.371 29 HB3 ALA 5 3HB ALA 5 -0.303 6.970 5.950 30 H PHE 6 H PHE 6 2.004 4.341 3.750 31 HA PHE 6 HA PHE 6 2.781 2.390 4.483 32 HB2 PHE 6 2HB PHE 6 3.929 4.047 6.754 33 HB3 PHE 6 1HB PHE 6 4.384 2.383 6.388 34 HD1 PHE 6 1HD PHE 6 4.700 5.882 5.402 35 HD2 PHE 6 2HD PHE 6 5.671 1.861 4.396 36 HE1 PHE 6 1HE PHE 6 6.386 6.689 3.800 37 HE2 PHE 6 2HE PHE 6 7.350 2.664 2.797 38 HZ PHE 6 HZ PHE 6 7.709 5.075 2.495 39 H ARG 7 H ARG 7 0.127 3.130 5.156 40 HA ARG 7 HA ARG 7 -0.256 1.988 7.787 41 HB2 ARG 7 2HB ARG 7 -2.312 2.838 5.731 42 HB3 ARG 7 1HB ARG 7 -2.676 2.281 7.350 43 HG2 ARG 7 2HG ARG 7 -1.163 4.799 6.655 44 HG3 ARG 7 1HG ARG 7 -2.852 4.723 7.128 45 HD2 ARG 7 2HD ARG 7 -1.657 5.396 9.052 46 HD3 ARG 7 1HD ARG 7 -2.051 3.702 9.307 47 HE ARG 7 HE ARG 7 0.453 3.762 8.159 48 HH11 ARG 7 1HH1 ARG 7 -1.035 4.925 11.144 49 HH12 ARG 7 2HH1 ARG 7 0.387 4.867 12.062 50 HH21 ARG 7 1HH2 ARG 7 2.451 3.669 9.420 51 HH22 ARG 7 2HH2 ARG 7 2.426 4.152 11.039 52 H LYS 8 H LYS 8 -1.148 -0.006 8.155 53 HA LYS 8 HA LYS 8 -0.331 -2.052 6.454 54 HB2 LYS 8 2HB LYS 8 -2.275 -2.141 8.758 55 HB3 LYS 8 1HB LYS 8 -1.602 -3.560 7.971 56 HG2 LYS 8 2HG LYS 8 0.650 -2.858 8.637 57 HG3 LYS 8 1HG LYS 8 -0.029 -1.444 9.438 58 HD2 LYS 8 2HD LYS 8 -1.292 -2.895 10.946 59 HD3 LYS 8 1HD LYS 8 -0.649 -4.319 10.126 60 HE2 LYS 8 2HE LYS 8 0.578 -3.936 12.169 61 HE3 LYS 8 1HE LYS 8 1.630 -3.630 10.789 62 HZ1 LYS 8 1HZ LYS 8 1.912 -1.933 12.463 63 HZ2 LYS 8 2HZ LYS 8 0.282 -1.616 12.486 64 HZ3 LYS 8 3HZ LYS 8 1.178 -1.220 11.126 65 H CYS 9 H CYS 9 -1.202 -3.082 4.853 66 HA CYS 9 HA CYS 9 -3.993 -2.518 4.163 67 HB2 CYS 9 2HB CYS 9 -3.234 -2.606 1.785 68 HB3 CYS 9 1HB CYS 9 -2.585 -1.242 2.689 69 H ILE 10 H ILE 10 -4.636 -4.185 2.346 70 HA ILE 10 HA ILE 10 -3.892 -6.822 3.351 71 HB ILE 10 HB ILE 10 -6.271 -6.037 1.634 72 HG12 ILE 10 2HG1 ILE 10 -6.491 -4.907 3.791 73 HG13 ILE 10 1HG1 ILE 10 -7.661 -6.212 3.672 74 HG21 ILE 10 1HG2 ILE 10 -5.653 -8.373 1.451 75 HG22 ILE 10 2HG2 ILE 10 -7.184 -8.211 2.315 76 HG23 ILE 10 3HG2 ILE 10 -5.699 -8.544 3.206 77 HD11 ILE 10 1HD1 ILE 10 -5.070 -6.290 5.211 78 HD12 ILE 10 2HD1 ILE 10 -6.247 -7.600 5.102 79 HD13 ILE 10 3HD1 ILE 10 -6.682 -6.086 5.894 80 HA PRO 11 HA PRO 11 -1.594 -6.782 -0.581 81 HB2 PRO 11 2HB PRO 11 -1.158 -9.631 0.080 82 HB3 PRO 11 1HB PRO 11 0.028 -8.367 -0.245 83 HG2 PRO 11 2HG PRO 11 -0.328 -9.287 2.231 84 HG3 PRO 11 1HG PRO 11 -0.035 -7.563 1.935 85 HD2 PRO 11 2HD PRO 11 -2.612 -8.971 2.530 86 HD3 PRO 11 1HD PRO 11 -1.992 -7.419 3.145 87 H ASP 12 H ASP 12 -4.093 -8.909 0.344 88 HA ASP 12 HA ASP 12 -4.403 -10.203 -2.229 89 HB2 ASP 12 2HB ASP 12 -4.928 -11.503 -0.274 90 HB3 ASP 12 1HB ASP 12 -6.048 -10.279 0.300 91 H ASN 13 H ASN 13 -5.327 -7.289 -0.912 92 HA ASN 13 HA ASN 13 -6.732 -6.545 -3.193 93 HB2 ASN 13 2HB ASN 13 -8.895 -5.827 -2.098 94 HB3 ASN 13 1HB ASN 13 -8.713 -7.560 -2.270 95 HD21 ASN 13 1HD2 ASN 13 -8.539 -8.828 -0.407 96 HD22 ASN 13 2HD2 ASN 13 -8.897 -8.207 1.158 97 H ASP 14 H ASP 14 -5.151 -5.227 -3.334 98 HA ASP 14 HA ASP 14 -4.314 -3.499 -1.288 99 HB2 ASP 14 2HB ASP 14 -2.910 -2.376 -2.903 100 HB3 ASP 14 1HB ASP 14 -2.841 -4.107 -3.181 101 H LYS 15 H LYS 15 -5.291 -1.948 -0.463 102 HA LYS 15 HA LYS 15 -6.767 -0.161 -2.172 103 HB2 LYS 15 2HB LYS 15 -8.200 0.352 -0.103 104 HB3 LYS 15 1HB LYS 15 -8.489 -1.167 -0.927 105 HG2 LYS 15 2HG LYS 15 -7.058 -2.282 0.807 106 HG3 LYS 15 1HG LYS 15 -7.022 -0.744 1.671 107 HD2 LYS 15 2HD LYS 15 -9.448 -0.767 1.869 108 HD3 LYS 15 1HD LYS 15 -9.530 -2.253 0.924 109 HE2 LYS 15 2HE LYS 15 -8.220 -3.405 2.671 110 HE3 LYS 15 1HE LYS 15 -8.225 -1.924 3.625 111 HZ1 LYS 15 1HZ LYS 15 -10.635 -2.053 3.754 112 HZ2 LYS 15 2HZ LYS 15 -9.954 -3.499 4.318 113 HZ3 LYS 15 3HZ LYS 15 -10.635 -3.432 2.791 114 H CYS 16 H CYS 16 -5.113 1.114 -2.559 115 HA CYS 16 HA CYS 16 -4.261 2.902 -0.435 116 HB2 CYS 16 2HB CYS 16 -2.306 1.690 -2.435 117 HB3 CYS 16 1HB CYS 16 -1.923 2.693 -1.048 118 H CYS 17 H CYS 17 -3.184 4.888 -1.754 119 HA CYS 17 HA CYS 17 -4.821 5.428 -3.994 120 HB2 CYS 17 2HB CYS 17 -2.383 6.833 -2.949 121 HB3 CYS 17 1HB CYS 17 -3.342 7.446 -4.296 122 H ARG 18 H ARG 18 -4.477 3.676 -5.364 123 HA ARG 18 HA ARG 18 -1.924 3.223 -6.565 124 HB2 ARG 18 2HB ARG 18 -3.149 1.692 -8.122 125 HB3 ARG 18 1HB ARG 18 -3.461 1.348 -6.430 126 HG2 ARG 18 2HG ARG 18 -5.632 2.246 -6.547 127 HG3 ARG 18 1HG ARG 18 -5.304 3.024 -8.094 128 HD2 ARG 18 2HD ARG 18 -6.702 1.031 -8.384 129 HD3 ARG 18 1HD ARG 18 -5.149 0.854 -9.179 130 HE ARG 18 HE ARG 18 -4.806 -0.335 -6.740 131 HH11 ARG 18 1HH1 ARG 18 -7.173 -0.754 -9.336 132 HH12 ARG 18 2HH1 ARG 18 -7.349 -2.436 -9.103 133 HH21 ARG 18 1HH2 ARG 18 -4.998 -2.656 -6.460 134 HH22 ARG 18 2HH2 ARG 18 -6.040 -3.540 -7.464 135 HA PRO 19 HA PRO 19 -1.202 2.438 -8.401 136 HB2 PRO 19 2HB PRO 19 0.324 2.822 -10.525 137 HB3 PRO 19 1HB PRO 19 -1.362 2.326 -10.721 138 HG2 PRO 19 2HG PRO 19 -0.116 5.004 -11.113 139 HG3 PRO 19 1HG PRO 19 -1.425 4.236 -12.019 140 HD2 PRO 19 2HD PRO 19 -1.710 6.133 -9.955 141 HD3 PRO 19 1HD PRO 19 -3.001 5.128 -10.640 142 H ASN 20 H ASN 20 -0.733 5.572 -7.773 143 HA ASN 20 HA ASN 20 2.084 5.915 -7.818 144 HB2 ASN 20 2HB ASN 20 -0.046 7.368 -6.224 145 HB3 ASN 20 1HB ASN 20 1.642 7.849 -6.271 146 HD21 ASN 20 1HD2 ASN 20 1.090 9.857 -7.137 147 HD22 ASN 20 2HD2 ASN 20 0.604 10.046 -8.777 148 H LEU 21 H LEU 21 -0.138 4.609 -5.513 149 HA LEU 21 HA LEU 21 2.118 3.819 -3.832 150 HB2 LEU 21 2HB LEU 21 -0.726 4.465 -2.997 151 HB3 LEU 21 1HB LEU 21 0.436 3.671 -1.982 152 HG LEU 21 HG LEU 21 1.865 5.715 -2.057 153 HD11 LEU 21 1HD1 LEU 21 0.838 7.849 -2.673 154 HD12 LEU 21 2HD1 LEU 21 -0.514 6.977 -3.405 155 HD13 LEU 21 3HD1 LEU 21 1.111 6.793 -4.053 156 HD21 LEU 21 1HD2 LEU 21 0.474 5.220 -0.197 157 HD22 LEU 21 2HD2 LEU 21 -0.911 5.993 -0.977 158 HD23 LEU 21 3HD2 LEU 21 0.490 6.956 -0.492 159 H VAL 22 H VAL 22 2.096 1.703 -3.190 160 HA VAL 22 HA VAL 22 -0.109 0.051 -4.168 161 HB VAL 22 HB VAL 22 1.385 -1.734 -4.888 162 HG11 VAL 22 1HG1 VAL 22 2.386 -0.734 -6.892 163 HG12 VAL 22 2HG1 VAL 22 2.086 0.868 -6.213 164 HG13 VAL 22 3HG1 VAL 22 0.734 -0.191 -6.601 165 HG21 VAL 22 1HG2 VAL 22 3.673 0.126 -4.236 166 HG22 VAL 22 2HG2 VAL 22 3.825 -1.421 -5.067 167 HG23 VAL 22 3HG2 VAL 22 3.267 -1.370 -3.394 168 H CYS 23 H CYS 23 -0.209 -2.046 -3.072 169 HA CYS 23 HA CYS 23 0.461 -1.696 -0.278 170 HB2 CYS 23 2HB CYS 23 -1.816 -2.425 -0.876 171 HB3 CYS 23 1HB CYS 23 -1.154 -3.799 -1.748 172 H SER 24 H SER 24 2.483 -2.329 0.217 173 HA SER 24 HA SER 24 3.921 -4.155 -1.383 174 HB2 SER 24 2HB SER 24 5.054 -2.472 -0.005 175 HB3 SER 24 1HB SER 24 4.394 -3.209 1.453 176 HG SER 24 HG SER 24 6.150 -4.476 -0.398 177 H ARG 25 H ARG 25 3.583 -6.259 -1.444 178 HA ARG 25 HA ARG 25 1.886 -7.478 0.503 179 HB2 ARG 25 2HB ARG 25 2.062 -9.509 -0.863 180 HB3 ARG 25 1HB ARG 25 1.662 -8.106 -1.824 181 HG2 ARG 25 2HG ARG 25 3.921 -7.976 -2.662 182 HG3 ARG 25 1HG ARG 25 4.407 -9.323 -1.624 183 HD2 ARG 25 2HD ARG 25 2.352 -9.433 -3.834 184 HD3 ARG 25 1HD ARG 25 3.992 -10.082 -3.910 185 HE ARG 25 HE ARG 25 3.089 -11.357 -1.793 186 HH11 ARG 25 1HH1 ARG 25 1.459 -10.920 -4.934 187 HH12 ARG 25 2HH1 ARG 25 0.539 -12.347 -4.758 188 HH21 ARG 25 1HH2 ARG 25 1.855 -13.246 -1.613 189 HH22 ARG 25 2HH2 ARG 25 0.773 -13.712 -2.845 190 H LEU 26 H LEU 26 5.162 -7.015 0.168 191 HA LEU 26 HA LEU 26 6.017 -9.191 1.863 192 HB2 LEU 26 2HB LEU 26 7.497 -8.376 0.125 193 HB3 LEU 26 1HB LEU 26 7.439 -6.756 0.783 194 HG LEU 26 HG LEU 26 8.630 -7.578 2.806 195 HD11 LEU 26 1HD1 LEU 26 8.890 -10.135 1.243 196 HD12 LEU 26 2HD1 LEU 26 7.978 -9.906 2.737 197 HD13 LEU 26 3HD1 LEU 26 9.733 -9.748 2.742 198 HD21 LEU 26 1HD2 LEU 26 10.019 -8.075 0.179 199 HD22 LEU 26 2HD2 LEU 26 10.815 -7.808 1.727 200 HD23 LEU 26 3HD2 LEU 26 9.857 -6.520 0.995 201 H HIS 27 H HIS 27 5.721 -5.650 2.114 202 HA HIS 27 HA HIS 27 6.435 -5.757 4.921 203 HB2 HIS 27 2HB HIS 27 5.739 -3.387 3.180 204 HB3 HIS 27 1HB HIS 27 6.269 -3.285 4.848 205 HD1 HIS 27 1HD HIS 27 8.837 -3.484 5.269 206 HD2 HIS 27 2HD HIS 27 7.691 -4.088 1.333 207 HE1 HIS 27 1HE HIS 27 10.955 -3.397 3.923 208 H ARG 28 H ARG 28 3.562 -5.579 3.016 209 HA ARG 28 HA ARG 28 1.412 -5.796 3.503 210 HB2 ARG 28 2HB ARG 28 2.355 -6.074 6.355 211 HB3 ARG 28 1HB ARG 28 0.683 -6.291 5.850 212 HG2 ARG 28 2HG ARG 28 1.186 -8.208 4.604 213 HG3 ARG 28 1HG ARG 28 2.916 -7.861 4.620 214 HD2 ARG 28 2HD ARG 28 1.256 -8.583 7.023 215 HD3 ARG 28 1HD ARG 28 2.310 -9.690 6.142 216 HE ARG 28 HE ARG 28 3.353 -7.244 7.387 217 HH11 ARG 28 1HH1 ARG 28 3.437 -10.768 7.067 218 HH12 ARG 28 2HH1 ARG 28 4.875 -10.958 7.950 219 HH21 ARG 28 1HH2 ARG 28 5.340 -7.505 8.607 220 HH22 ARG 28 2HH2 ARG 28 5.977 -9.059 8.846 221 H TRP 29 H TRP 29 2.841 -3.219 3.507 222 HA TRP 29 HA TRP 29 0.542 -1.748 4.406 223 HB2 TRP 29 2HB TRP 29 1.971 0.141 5.286 224 HB3 TRP 29 1HB TRP 29 1.913 -1.301 6.274 225 HD1 TRP 29 HD TRP 29 4.338 0.026 3.505 226 HE1 TRP 29 1HE TRP 29 6.750 -0.349 4.366 227 HE3 TRP 29 3HE TRP 29 3.266 -2.155 7.993 228 HZ2 TRP 29 2HZ TRP 29 8.010 -1.422 6.663 229 HZ3 TRP 29 3HZ TRP 29 5.125 -2.818 9.468 230 HH2 TRP 29 HH TRP 29 7.441 -2.455 8.809 231 H CYS 30 H CYS 30 0.263 0.328 3.508 232 HA CYS 30 HA CYS 30 0.732 0.308 0.692 233 HB2 CYS 30 2HB CYS 30 -0.428 2.386 2.526 234 HB3 CYS 30 1HB CYS 30 -0.396 2.564 0.782 235 H LYS 31 H LYS 31 2.622 0.811 -0.141 236 HA LYS 31 HA LYS 31 4.260 2.842 1.195 237 HB2 LYS 31 2HB LYS 31 6.199 1.814 0.122 238 HB3 LYS 31 1HB LYS 31 5.301 0.622 1.033 239 HG2 LYS 31 2HG LYS 31 4.428 -0.362 -0.936 240 HG3 LYS 31 1HG LYS 31 5.005 0.977 -1.933 241 HD2 LYS 31 2HD LYS 31 7.320 0.384 -1.344 242 HD3 LYS 31 1HD LYS 31 6.720 -0.990 -0.420 243 HE2 LYS 31 2HE LYS 31 5.846 -2.018 -2.393 244 HE3 LYS 31 1HE LYS 31 6.186 -0.583 -3.355 245 HZ1 LYS 31 1HZ LYS 31 7.830 -2.341 -3.670 246 HZ2 LYS 31 2HZ LYS 31 8.255 -2.273 -2.050 247 HZ3 LYS 31 3HZ LYS 31 8.528 -0.945 -3.053 248 H TYR 32 H TYR 32 5.466 4.298 -0.194 249 HA TYR 32 HA TYR 32 3.830 5.223 -2.400 250 HB2 TYR 32 2HB TYR 32 6.217 6.448 -0.997 251 HB3 TYR 32 1HB TYR 32 5.332 7.205 -2.314 252 HD1 TYR 32 1HD TYR 32 3.056 8.023 -1.946 253 HD2 TYR 32 2HD TYR 32 5.340 6.452 1.269 254 HE1 TYR 32 1HE TYR 32 1.543 9.096 -0.380 255 HE2 TYR 32 2HE TYR 32 3.820 7.515 2.869 256 HH TYR 32 HH TYR 32 0.804 8.904 1.966 257 H VAL 33 H VAL 33 4.338 4.864 -4.460 258 HA VAL 33 HA VAL 33 6.974 3.743 -5.077 259 HB VAL 33 HB VAL 33 4.459 3.772 -6.777 260 HG11 VAL 33 1HG1 VAL 33 6.482 3.593 -8.120 261 HG12 VAL 33 2HG1 VAL 33 5.582 2.076 -8.142 262 HG13 VAL 33 3HG1 VAL 33 7.027 2.229 -7.144 263 HG21 VAL 33 1HG2 VAL 33 4.114 2.432 -4.793 264 HG22 VAL 33 2HG2 VAL 33 5.614 1.557 -5.098 265 HG23 VAL 33 3HG2 VAL 33 4.258 1.393 -6.212 266 H PHE 34 H PHE 34 4.727 6.283 -5.883 267 HA PHE 34 HA PHE 34 6.487 7.364 -7.903 268 HB2 PHE 34 2HB PHE 34 4.011 7.349 -8.212 269 HB3 PHE 34 1HB PHE 34 3.862 8.438 -6.843 270 HD1 PHE 34 1HD PHE 34 5.726 8.226 -10.075 271 HD2 PHE 34 2HD PHE 34 3.579 10.660 -7.330 272 HE1 PHE 34 1HE PHE 34 5.923 10.126 -11.618 273 HE2 PHE 34 2HE PHE 34 3.769 12.568 -8.862 274 HZ PHE 34 HZ PHE 34 4.943 12.307 -11.014 Start of MODEL 9 1 H1 ASP 1 1HT ASP 1 -3.972 11.229 4.494 2 H2 ASP 1 2HT ASP 1 -3.015 12.620 4.622 3 H3 ASP 1 3HT ASP 1 -2.398 11.200 3.928 4 HA ASP 1 HA ASP 1 -4.658 12.688 2.797 5 HB2 ASP 1 2HB ASP 1 -2.620 14.017 2.576 6 HB3 ASP 1 1HB ASP 1 -1.747 12.615 1.967 7 H CYS 2 H CYS 2 -5.785 11.478 1.403 8 HA CYS 2 HA CYS 2 -6.444 9.763 0.125 9 HB2 CYS 2 2HB CYS 2 -4.560 10.620 -1.252 10 HB3 CYS 2 1HB CYS 2 -3.464 9.537 -0.419 11 H LEU 3 H LEU 3 -5.324 7.196 -0.303 12 HA LEU 3 HA LEU 3 -5.134 6.192 2.443 13 HB2 LEU 3 2HB LEU 3 -6.177 4.860 -0.040 14 HB3 LEU 3 1HB LEU 3 -5.925 4.012 1.475 15 HG LEU 3 HG LEU 3 -7.903 6.239 0.966 16 HD11 LEU 3 1HD1 LEU 3 -8.284 3.288 1.431 17 HD12 LEU 3 2HD1 LEU 3 -8.544 4.153 -0.085 18 HD13 LEU 3 3HD1 LEU 3 -9.574 4.485 1.309 19 HD21 LEU 3 1HD2 LEU 3 -8.738 5.736 3.222 20 HD22 LEU 3 2HD2 LEU 3 -7.079 6.326 3.264 21 HD23 LEU 3 3HD2 LEU 3 -7.407 4.602 3.458 22 H GLY 4 H GLY 4 -3.522 4.841 2.955 23 HA2 GLY 4 2HA GLY 4 -1.783 3.327 1.863 24 HA3 GLY 4 1HA GLY 4 -1.295 4.816 1.056 25 H ALA 5 H ALA 5 0.099 6.087 2.030 26 HA ALA 5 HA ALA 5 1.596 6.899 3.523 27 HB1 ALA 5 1HB ALA 5 -0.818 6.860 5.323 28 HB2 ALA 5 2HB ALA 5 -0.467 8.084 4.099 29 HB3 ALA 5 3HB ALA 5 0.606 7.891 5.486 30 H PHE 6 H PHE 6 1.985 4.161 3.430 31 HA PHE 6 HA PHE 6 3.049 2.473 4.477 32 HB2 PHE 6 2HB PHE 6 3.543 4.526 6.653 33 HB3 PHE 6 1HB PHE 6 4.318 2.955 6.565 34 HD1 PHE 6 1HD PHE 6 4.356 6.365 5.475 35 HD2 PHE 6 2HD PHE 6 5.847 2.478 4.644 36 HE1 PHE 6 1HE PHE 6 6.157 7.358 4.124 37 HE2 PHE 6 2HE PHE 6 7.655 3.459 3.291 38 HZ PHE 6 HZ PHE 6 7.805 5.907 3.034 39 H ARG 7 H ARG 7 0.138 2.900 4.992 40 HA ARG 7 HA ARG 7 -0.055 1.720 7.650 41 HB2 ARG 7 2HB ARG 7 -2.264 2.586 5.765 42 HB3 ARG 7 1HB ARG 7 -2.513 1.928 7.372 43 HG2 ARG 7 2HG ARG 7 -1.130 4.542 6.728 44 HG3 ARG 7 1HG ARG 7 -2.777 4.371 7.323 45 HD2 ARG 7 2HD ARG 7 -1.346 4.996 9.172 46 HD3 ARG 7 1HD ARG 7 -1.844 3.325 9.398 47 HE ARG 7 HE ARG 7 0.590 3.442 8.007 48 HH11 ARG 7 1HH1 ARG 7 -0.662 3.820 11.298 49 HH12 ARG 7 2HH1 ARG 7 0.788 3.379 12.042 50 HH21 ARG 7 1HH2 ARG 7 2.527 2.777 9.012 51 HH22 ARG 7 2HH2 ARG 7 2.694 2.802 10.702 52 H LYS 8 H LYS 8 -0.963 -0.257 8.032 53 HA LYS 8 HA LYS 8 -0.114 -2.290 6.351 54 HB2 LYS 8 2HB LYS 8 -2.177 -2.390 8.561 55 HB3 LYS 8 1HB LYS 8 -1.446 -3.802 7.807 56 HG2 LYS 8 2HG LYS 8 0.739 -3.148 8.588 57 HG3 LYS 8 1HG LYS 8 0.081 -1.663 9.266 58 HD2 LYS 8 2HD LYS 8 -1.295 -2.992 10.809 59 HD3 LYS 8 1HD LYS 8 -0.618 -4.472 10.126 60 HE2 LYS 8 2HE LYS 8 1.598 -3.830 10.857 61 HE3 LYS 8 1HE LYS 8 0.987 -2.296 11.467 62 HZ1 LYS 8 1HZ LYS 8 -0.369 -3.536 13.051 63 HZ2 LYS 8 2HZ LYS 8 1.261 -3.851 13.256 64 HZ3 LYS 8 3HZ LYS 8 0.281 -4.993 12.508 65 H CYS 9 H CYS 9 -0.990 -3.425 4.780 66 HA CYS 9 HA CYS 9 -3.509 -2.362 3.702 67 HB2 CYS 9 2HB CYS 9 -2.473 -3.093 1.516 68 HB3 CYS 9 1HB CYS 9 -1.730 -1.709 2.325 69 H ILE 10 H ILE 10 -4.479 -3.880 2.061 70 HA ILE 10 HA ILE 10 -4.558 -6.622 3.075 71 HB ILE 10 HB ILE 10 -6.439 -5.172 1.163 72 HG12 ILE 10 2HG1 ILE 10 -6.873 -5.863 4.079 73 HG13 ILE 10 1HG1 ILE 10 -6.529 -4.250 3.466 74 HG21 ILE 10 1HG2 ILE 10 -6.737 -7.855 2.519 75 HG22 ILE 10 2HG2 ILE 10 -6.412 -7.588 0.806 76 HG23 ILE 10 3HG2 ILE 10 -7.951 -7.078 1.502 77 HD11 ILE 10 1HD1 ILE 10 -8.893 -4.534 3.951 78 HD12 ILE 10 2HD1 ILE 10 -8.970 -5.904 2.842 79 HD13 ILE 10 3HD1 ILE 10 -8.638 -4.287 2.223 80 HA PRO 11 HA PRO 11 -1.878 -7.024 -0.533 81 HB2 PRO 11 2HB PRO 11 -1.371 -9.708 -0.297 82 HB3 PRO 11 1HB PRO 11 -0.532 -8.461 0.627 83 HG2 PRO 11 2HG PRO 11 -2.816 -10.205 1.447 84 HG3 PRO 11 1HG PRO 11 -1.386 -9.725 2.378 85 HD2 PRO 11 2HD PRO 11 -3.800 -8.565 2.726 86 HD3 PRO 11 1HD PRO 11 -2.282 -7.667 2.926 87 H ASP 12 H ASP 12 -4.830 -8.798 -0.016 88 HA ASP 12 HA ASP 12 -4.795 -9.815 -2.750 89 HB2 ASP 12 2HB ASP 12 -5.745 -11.257 -1.014 90 HB3 ASP 12 1HB ASP 12 -6.926 -10.017 -0.610 91 H ASN 13 H ASN 13 -5.713 -6.989 -1.206 92 HA ASN 13 HA ASN 13 -6.771 -5.818 -3.546 93 HB2 ASN 13 2HB ASN 13 -8.839 -7.007 -2.911 94 HB3 ASN 13 1HB ASN 13 -8.746 -6.327 -1.294 95 HD21 ASN 13 1HD2 ASN 13 -8.124 -4.529 -4.336 96 HD22 ASN 13 2HD2 ASN 13 -9.478 -3.496 -4.135 97 H ASP 14 H ASP 14 -5.094 -4.457 -3.025 98 HA ASP 14 HA ASP 14 -5.217 -3.152 -0.498 99 HB2 ASP 14 2HB ASP 14 -3.145 -1.964 -1.176 100 HB3 ASP 14 1HB ASP 14 -3.071 -3.720 -1.152 101 H LYS 15 H LYS 15 -6.193 -1.536 0.002 102 HA LYS 15 HA LYS 15 -7.386 0.138 -2.070 103 HB2 LYS 15 2HB LYS 15 -8.005 -0.019 0.887 104 HB3 LYS 15 1HB LYS 15 -8.957 0.796 -0.343 105 HG2 LYS 15 2HG LYS 15 -9.607 -1.306 -1.320 106 HG3 LYS 15 1HG LYS 15 -8.499 -2.184 -0.265 107 HD2 LYS 15 2HD LYS 15 -9.785 -1.424 1.691 108 HD3 LYS 15 1HD LYS 15 -10.909 -0.591 0.621 109 HE2 LYS 15 2HE LYS 15 -10.378 -3.565 0.618 110 HE3 LYS 15 1HE LYS 15 -11.742 -2.783 1.409 111 HZ1 LYS 15 1HZ LYS 15 -11.186 -2.839 -1.516 112 HZ2 LYS 15 2HZ LYS 15 -12.452 -1.981 -0.806 113 HZ3 LYS 15 3HZ LYS 15 -12.405 -3.657 -0.711 114 H CYS 16 H CYS 16 -5.472 1.353 -2.466 115 HA CYS 16 HA CYS 16 -5.004 3.415 -0.571 116 HB2 CYS 16 2HB CYS 16 -2.862 1.619 -1.795 117 HB3 CYS 16 1HB CYS 16 -2.509 3.166 -1.021 118 H CYS 17 H CYS 17 -3.492 5.074 -2.018 119 HA CYS 17 HA CYS 17 -5.098 6.092 -3.954 120 HB2 CYS 17 2HB CYS 17 -2.088 6.218 -4.145 121 HB3 CYS 17 1HB CYS 17 -3.245 7.395 -4.755 122 H ARG 18 H ARG 18 -2.237 4.117 -4.738 123 HA ARG 18 HA ARG 18 -1.618 2.819 -6.443 124 HB2 ARG 18 2HB ARG 18 -3.426 1.504 -5.401 125 HB3 ARG 18 1HB ARG 18 -4.562 2.167 -6.560 126 HG2 ARG 18 2HG ARG 18 -3.417 1.073 -8.363 127 HG3 ARG 18 1HG ARG 18 -2.164 0.504 -7.261 128 HD2 ARG 18 2HD ARG 18 -3.858 -0.759 -6.009 129 HD3 ARG 18 1HD ARG 18 -5.077 -0.227 -7.166 130 HE ARG 18 HE ARG 18 -4.000 -1.472 -8.843 131 HH11 ARG 18 1HH1 ARG 18 -2.728 -2.174 -5.550 132 HH12 ARG 18 2HH1 ARG 18 -2.134 -3.676 -6.014 133 HH21 ARG 18 1HH2 ARG 18 -3.150 -3.546 -9.380 134 HH22 ARG 18 2HH2 ARG 18 -2.364 -4.496 -8.198 135 HA PRO 19 HA PRO 19 -0.811 1.871 -8.122 136 HB2 PRO 19 2HB PRO 19 0.873 2.217 -10.119 137 HB3 PRO 19 1HB PRO 19 -0.759 1.593 -10.417 138 HG2 PRO 19 2HG PRO 19 0.327 4.345 -10.825 139 HG3 PRO 19 1HG PRO 19 -0.734 3.397 -11.879 140 HD2 PRO 19 2HD PRO 19 -1.581 5.343 -10.087 141 HD3 PRO 19 1HD PRO 19 -2.610 4.061 -10.756 142 H ASN 20 H ASN 20 -0.550 5.108 -7.558 143 HA ASN 20 HA ASN 20 2.296 5.307 -7.378 144 HB2 ASN 20 2HB ASN 20 0.198 7.125 -6.162 145 HB3 ASN 20 1HB ASN 20 1.918 7.445 -6.202 146 HD21 ASN 20 1HD2 ASN 20 1.755 9.266 -7.355 147 HD22 ASN 20 2HD2 ASN 20 1.270 9.369 -9.012 148 H LEU 21 H LEU 21 -0.247 4.401 -5.220 149 HA LEU 21 HA LEU 21 1.831 3.573 -3.348 150 HB2 LEU 21 2HB LEU 21 -0.899 4.615 -2.491 151 HB3 LEU 21 1HB LEU 21 0.237 3.801 -1.473 152 HG LEU 21 HG LEU 21 1.919 5.609 -1.946 153 HD11 LEU 21 1HD1 LEU 21 0.918 6.656 -3.839 154 HD12 LEU 21 2HD1 LEU 21 1.104 7.803 -2.512 155 HD13 LEU 21 3HD1 LEU 21 -0.486 7.127 -2.879 156 HD21 LEU 21 1HD2 LEU 21 0.857 5.338 0.160 157 HD22 LEU 21 2HD2 LEU 21 -0.559 6.257 -0.380 158 HD23 LEU 21 3HD2 LEU 21 1.013 7.051 -0.212 159 H VAL 22 H VAL 22 1.863 1.550 -3.097 160 HA VAL 22 HA VAL 22 -0.542 -0.049 -3.637 161 HB VAL 22 HB VAL 22 2.256 -0.632 -4.719 162 HG11 VAL 22 1HG1 VAL 22 1.253 -2.527 -5.896 163 HG12 VAL 22 2HG1 VAL 22 -0.295 -2.187 -5.123 164 HG13 VAL 22 3HG1 VAL 22 1.083 -2.692 -4.147 165 HG21 VAL 22 1HG2 VAL 22 -0.255 0.125 -6.199 166 HG22 VAL 22 2HG2 VAL 22 1.267 -0.359 -6.944 167 HG23 VAL 22 3HG2 VAL 22 1.182 1.128 -5.997 168 H CYS 23 H CYS 23 -0.604 -1.965 -2.444 169 HA CYS 23 HA CYS 23 0.625 -2.008 0.073 170 HB2 CYS 23 2HB CYS 23 -1.450 -3.069 -0.362 171 HB3 CYS 23 1HB CYS 23 -0.720 -4.182 -1.518 172 H SER 24 H SER 24 2.646 -2.543 0.585 173 HA SER 24 HA SER 24 4.291 -4.016 -1.211 174 HB2 SER 24 2HB SER 24 5.244 -2.324 0.321 175 HB3 SER 24 1HB SER 24 4.646 -3.242 1.696 176 HG SER 24 HG SER 24 6.690 -3.898 -0.121 177 H ARG 25 H ARG 25 4.113 -6.182 -1.362 178 HA ARG 25 HA ARG 25 2.625 -7.622 0.631 179 HB2 ARG 25 2HB ARG 25 3.947 -8.461 -1.934 180 HB3 ARG 25 1HB ARG 25 3.417 -9.674 -0.785 181 HG2 ARG 25 2HG ARG 25 1.734 -9.409 -2.481 182 HG3 ARG 25 1HG ARG 25 1.115 -8.785 -0.964 183 HD2 ARG 25 2HD ARG 25 1.597 -6.488 -1.736 184 HD3 ARG 25 1HD ARG 25 2.191 -7.143 -3.264 185 HE ARG 25 HE ARG 25 -0.293 -8.199 -2.979 186 HH11 ARG 25 1HH1 ARG 25 0.963 -4.885 -3.267 187 HH12 ARG 25 2HH1 ARG 25 -0.527 -4.272 -3.856 188 HH21 ARG 25 1HH2 ARG 25 -2.294 -7.262 -3.740 189 HH22 ARG 25 2HH2 ARG 25 -2.371 -5.569 -4.050 190 H LEU 26 H LEU 26 5.721 -6.618 0.338 191 HA LEU 26 HA LEU 26 6.971 -8.795 1.809 192 HB2 LEU 26 2HB LEU 26 8.075 -6.077 1.122 193 HB3 LEU 26 1HB LEU 26 8.987 -7.480 1.630 194 HG LEU 26 HG LEU 26 7.528 -7.169 -0.989 195 HD11 LEU 26 1HD1 LEU 26 9.738 -7.077 -1.974 196 HD12 LEU 26 2HD1 LEU 26 10.467 -7.219 -0.378 197 HD13 LEU 26 3HD1 LEU 26 9.535 -5.782 -0.791 198 HD21 LEU 26 1HD2 LEU 26 7.531 -9.491 -0.253 199 HD22 LEU 26 2HD2 LEU 26 9.270 -9.417 0.023 200 HD23 LEU 26 3HD2 LEU 26 8.629 -9.267 -1.613 201 H HIS 27 H HIS 27 6.272 -5.346 2.248 202 HA HIS 27 HA HIS 27 6.990 -5.476 5.047 203 HB2 HIS 27 2HB HIS 27 6.056 -3.156 3.349 204 HB3 HIS 27 1HB HIS 27 6.537 -3.029 5.032 205 HD1 HIS 27 1HD HIS 27 8.992 -2.558 5.426 206 HD2 HIS 27 2HD HIS 27 8.226 -3.989 1.610 207 HE1 HIS 27 1HE HIS 27 11.160 -2.350 4.164 208 H ARG 28 H ARG 28 4.134 -5.596 3.136 209 HA ARG 28 HA ARG 28 2.021 -5.874 3.539 210 HB2 ARG 28 2HB ARG 28 2.932 -6.446 6.351 211 HB3 ARG 28 1HB ARG 28 1.234 -6.536 5.881 212 HG2 ARG 28 2HG ARG 28 1.780 -8.216 4.195 213 HG3 ARG 28 1HG ARG 28 3.482 -8.109 4.634 214 HD2 ARG 28 2HD ARG 28 1.264 -8.969 6.488 215 HD3 ARG 28 1HD ARG 28 2.326 -10.066 5.611 216 HE ARG 28 HE ARG 28 3.250 -8.131 7.617 217 HH11 ARG 28 1HH1 ARG 28 3.388 -11.403 6.175 218 HH12 ARG 28 2HH1 ARG 28 4.628 -11.948 7.186 219 HH21 ARG 28 1HH2 ARG 28 4.987 -8.927 9.023 220 HH22 ARG 28 2HH2 ARG 28 5.566 -10.504 8.843 221 H TRP 29 H TRP 29 3.314 -3.269 3.796 222 HA TRP 29 HA TRP 29 0.852 -1.958 4.575 223 HB2 TRP 29 2HB TRP 29 2.074 0.027 5.420 224 HB3 TRP 29 1HB TRP 29 2.379 -1.397 6.389 225 HD1 TRP 29 HD TRP 29 4.245 0.253 3.352 226 HE1 TRP 29 1HE TRP 29 6.754 0.368 3.968 227 HE3 TRP 29 3HE TRP 29 4.046 -1.855 8.001 228 HZ2 TRP 29 2HZ TRP 29 8.405 -0.315 6.138 229 HZ3 TRP 29 3HZ TRP 29 6.125 -2.076 9.287 230 HH2 TRP 29 HH TRP 29 8.261 -1.320 8.372 231 H CYS 30 H CYS 30 0.466 0.034 3.445 232 HA CYS 30 HA CYS 30 1.233 -0.209 0.701 233 HB2 CYS 30 2HB CYS 30 -0.518 1.620 2.217 234 HB3 CYS 30 1HB CYS 30 -0.013 2.132 0.621 235 H LYS 31 H LYS 31 2.901 0.457 -0.211 236 HA LYS 31 HA LYS 31 4.583 2.422 1.142 237 HB2 LYS 31 2HB LYS 31 6.418 1.458 -0.143 238 HB3 LYS 31 1HB LYS 31 5.587 0.220 0.776 239 HG2 LYS 31 2HG LYS 31 4.443 -0.546 -1.229 240 HG3 LYS 31 1HG LYS 31 5.187 0.746 -2.168 241 HD2 LYS 31 2HD LYS 31 6.708 -1.452 -0.748 242 HD3 LYS 31 1HD LYS 31 6.311 -1.449 -2.466 243 HE2 LYS 31 2HE LYS 31 7.637 0.591 -2.753 244 HE3 LYS 31 1HE LYS 31 8.001 0.600 -1.031 245 HZ1 LYS 31 1HZ LYS 31 9.800 -0.326 -2.318 246 HZ2 LYS 31 2HZ LYS 31 8.808 -1.529 -2.940 247 HZ3 LYS 31 3HZ LYS 31 9.163 -1.494 -1.294 248 H TYR 32 H TYR 32 5.724 3.919 -0.227 249 HA TYR 32 HA TYR 32 4.055 4.957 -2.322 250 HB2 TYR 32 2HB TYR 32 6.591 5.994 -1.043 251 HB3 TYR 32 1HB TYR 32 5.756 6.811 -2.360 252 HD1 TYR 32 1HD TYR 32 5.343 5.658 1.148 253 HD2 TYR 32 2HD TYR 32 3.939 8.234 -1.929 254 HE1 TYR 32 1HE TYR 32 3.915 6.795 2.765 255 HE2 TYR 32 2HE TYR 32 2.498 9.384 -0.317 256 HH TYR 32 HH TYR 32 1.499 9.067 1.845 257 H VAL 33 H VAL 33 4.227 4.250 -4.224 258 HA VAL 33 HA VAL 33 6.670 3.041 -5.240 259 HB VAL 33 HB VAL 33 3.899 3.272 -6.481 260 HG11 VAL 33 1HG1 VAL 33 6.228 1.532 -7.271 261 HG12 VAL 33 2HG1 VAL 33 5.616 2.927 -8.162 262 HG13 VAL 33 3HG1 VAL 33 4.619 1.483 -7.989 263 HG21 VAL 33 1HG2 VAL 33 3.805 1.958 -4.443 264 HG22 VAL 33 2HG2 VAL 33 5.144 0.957 -5.003 265 HG23 VAL 33 3HG2 VAL 33 3.599 0.916 -5.852 266 H PHE 34 H PHE 34 4.564 5.809 -5.539 267 HA PHE 34 HA PHE 34 6.581 7.286 -6.927 268 HB2 PHE 34 2HB PHE 34 5.183 6.129 -8.728 269 HB3 PHE 34 1HB PHE 34 3.806 7.044 -8.140 270 HD1 PHE 34 1HD PHE 34 7.142 7.350 -9.705 271 HD2 PHE 34 2HD PHE 34 3.453 9.268 -8.840 272 HE1 PHE 34 1HE PHE 34 7.750 9.186 -11.221 273 HE2 PHE 34 2HE PHE 34 4.050 11.118 -10.350 274 HZ PHE 34 HZ PHE 34 6.206 11.078 -11.547 Start of MODEL 10 1 H1 ASP 1 1HT ASP 1 -8.927 11.662 1.930 2 H2 ASP 1 2HT ASP 1 -9.894 11.523 3.302 3 H3 ASP 1 3HT ASP 1 -10.092 10.456 1.985 4 HA ASP 1 HA ASP 1 -7.620 10.670 3.551 5 HB2 ASP 1 2HB ASP 1 -9.514 9.731 4.914 6 HB3 ASP 1 1HB ASP 1 -9.736 8.494 3.685 7 H CYS 2 H CYS 2 -6.010 9.379 2.797 8 HA CYS 2 HA CYS 2 -6.549 7.751 0.450 9 HB2 CYS 2 2HB CYS 2 -5.708 9.948 -0.334 10 HB3 CYS 2 1HB CYS 2 -4.323 9.780 0.740 11 H LEU 3 H LEU 3 -5.734 5.804 0.812 12 HA LEU 3 HA LEU 3 -4.151 5.278 3.106 13 HB2 LEU 3 2HB LEU 3 -4.836 3.571 0.763 14 HB3 LEU 3 1HB LEU 3 -4.029 2.968 2.188 15 HG LEU 3 HG LEU 3 -6.832 4.130 2.203 16 HD11 LEU 3 1HD1 LEU 3 -6.760 2.012 0.988 17 HD12 LEU 3 2HD1 LEU 3 -7.592 1.844 2.533 18 HD13 LEU 3 3HD1 LEU 3 -5.938 1.257 2.354 19 HD21 LEU 3 1HD2 LEU 3 -5.247 2.685 4.323 20 HD22 LEU 3 2HD2 LEU 3 -6.934 3.171 4.456 21 HD23 LEU 3 3HD2 LEU 3 -5.675 4.396 4.329 22 H GLY 4 H GLY 4 -2.209 5.381 3.299 23 HA2 GLY 4 2HA GLY 4 -0.146 4.908 1.427 24 HA3 GLY 4 1HA GLY 4 -0.439 6.637 1.609 25 H ALA 5 H ALA 5 1.571 6.939 2.657 26 HA ALA 5 HA ALA 5 2.956 7.203 4.417 27 HB1 ALA 5 1HB ALA 5 1.023 8.554 5.078 28 HB2 ALA 5 2HB ALA 5 1.926 7.918 6.456 29 HB3 ALA 5 3HB ALA 5 0.393 7.177 5.990 30 H PHE 6 H PHE 6 2.447 4.393 3.773 31 HA PHE 6 HA PHE 6 3.068 2.358 4.448 32 HB2 PHE 6 2HB PHE 6 4.352 3.837 6.762 33 HB3 PHE 6 1HB PHE 6 4.647 2.147 6.366 34 HD1 PHE 6 1HD PHE 6 5.227 5.630 5.371 35 HD2 PHE 6 2HD PHE 6 6.020 1.546 4.483 36 HE1 PHE 6 1HE PHE 6 7.039 6.317 3.853 37 HE2 PHE 6 2HE PHE 6 7.834 2.229 2.963 38 HZ PHE 6 HZ PHE 6 8.342 4.611 2.646 39 H ARG 7 H ARG 7 0.527 3.544 5.343 40 HA ARG 7 HA ARG 7 -0.067 2.399 7.912 41 HB2 ARG 7 2HB ARG 7 -1.938 3.363 5.730 42 HB3 ARG 7 1HB ARG 7 -2.411 2.961 7.370 43 HG2 ARG 7 2HG ARG 7 -0.550 5.203 6.597 44 HG3 ARG 7 1HG ARG 7 -2.261 5.383 6.977 45 HD2 ARG 7 2HD ARG 7 -0.142 4.340 8.856 46 HD3 ARG 7 1HD ARG 7 -0.814 5.968 8.871 47 HE ARG 7 HE ARG 7 -2.909 4.122 9.042 48 HH11 ARG 7 1HH1 ARG 7 -0.245 5.305 11.022 49 HH12 ARG 7 2HH1 ARG 7 -1.024 5.020 12.499 50 HH21 ARG 7 1HH2 ARG 7 -3.965 3.730 10.999 51 HH22 ARG 7 2HH2 ARG 7 -3.236 4.070 12.503 52 H LYS 8 H LYS 8 -1.467 0.618 8.267 53 HA LYS 8 HA LYS 8 -0.968 -1.646 6.676 54 HB2 LYS 8 2HB LYS 8 -3.004 -1.185 8.845 55 HB3 LYS 8 1HB LYS 8 -2.776 -2.730 8.045 56 HG2 LYS 8 2HG LYS 8 -0.452 -2.776 8.854 57 HG3 LYS 8 1HG LYS 8 -0.723 -1.245 9.666 58 HD2 LYS 8 2HD LYS 8 -0.914 -3.160 11.208 59 HD3 LYS 8 1HD LYS 8 -2.405 -2.231 11.094 60 HE2 LYS 8 2HE LYS 8 -2.842 -4.645 11.138 61 HE3 LYS 8 1HE LYS 8 -3.371 -3.940 9.621 62 HZ1 LYS 8 1HZ LYS 8 -1.394 -4.817 8.561 63 HZ2 LYS 8 2HZ LYS 8 -2.204 -6.070 9.316 64 HZ3 LYS 8 3HZ LYS 8 -0.819 -5.418 10.012 65 H CYS 9 H CYS 9 -2.086 -2.659 5.166 66 HA CYS 9 HA CYS 9 -4.782 -1.901 4.494 67 HB2 CYS 9 2HB CYS 9 -3.974 -1.656 2.066 68 HB3 CYS 9 1HB CYS 9 -3.653 -0.309 3.158 69 H ILE 10 H ILE 10 -5.455 -3.400 2.587 70 HA ILE 10 HA ILE 10 -4.711 -6.064 3.284 71 HB ILE 10 HB ILE 10 -6.459 -5.110 0.978 72 HG12 ILE 10 2HG1 ILE 10 -7.256 -6.021 3.761 73 HG13 ILE 10 1HG1 ILE 10 -7.288 -4.357 3.191 74 HG21 ILE 10 1HG2 ILE 10 -6.243 -7.818 2.308 75 HG22 ILE 10 2HG2 ILE 10 -5.663 -7.410 0.693 76 HG23 ILE 10 3HG2 ILE 10 -7.392 -7.388 1.043 77 HD11 ILE 10 1HD1 ILE 10 -8.993 -4.970 1.540 78 HD12 ILE 10 2HD1 ILE 10 -9.507 -5.330 3.188 79 HD13 ILE 10 3HD1 ILE 10 -8.956 -6.630 2.131 80 HA PRO 11 HA PRO 11 -1.279 -5.751 0.385 81 HB2 PRO 11 2HB PRO 11 -0.554 -8.452 1.121 82 HB3 PRO 11 1HB PRO 11 0.261 -6.937 1.507 83 HG2 PRO 11 2HG PRO 11 -1.021 -8.473 3.353 84 HG3 PRO 11 1HG PRO 11 -0.827 -6.721 3.507 85 HD2 PRO 11 2HD PRO 11 -3.178 -8.308 2.637 86 HD3 PRO 11 1HD PRO 11 -3.073 -6.851 3.659 87 H ASP 12 H ASP 12 -3.248 -8.749 0.404 88 HA ASP 12 HA ASP 12 -2.189 -9.427 -2.216 89 HB2 ASP 12 2HB ASP 12 -2.605 -11.193 -0.511 90 HB3 ASP 12 1HB ASP 12 -4.332 -10.887 -0.665 91 H ASN 13 H ASN 13 -4.682 -7.664 -1.027 92 HA ASN 13 HA ASN 13 -5.724 -7.271 -3.705 93 HB2 ASN 13 2HB ASN 13 -7.397 -8.678 -2.400 94 HB3 ASN 13 1HB ASN 13 -7.481 -7.379 -1.222 95 HD21 ASN 13 1HD2 ASN 13 -8.285 -8.353 -4.448 96 HD22 ASN 13 2HD2 ASN 13 -9.449 -7.120 -4.755 97 H ASP 14 H ASP 14 -4.293 -5.631 -3.675 98 HA ASP 14 HA ASP 14 -3.738 -4.044 -1.496 99 HB2 ASP 14 2HB ASP 14 -2.498 -2.568 -3.041 100 HB3 ASP 14 1HB ASP 14 -2.099 -4.272 -3.216 101 H LYS 15 H LYS 15 -4.727 -2.690 -0.532 102 HA LYS 15 HA LYS 15 -6.685 -0.965 -1.850 103 HB2 LYS 15 2HB LYS 15 -6.337 -1.683 1.074 104 HB3 LYS 15 1HB LYS 15 -7.511 -0.532 0.463 105 HG2 LYS 15 2HG LYS 15 -7.438 -3.461 -0.226 106 HG3 LYS 15 1HG LYS 15 -8.486 -2.724 0.988 107 HD2 LYS 15 2HD LYS 15 -9.489 -1.322 -0.775 108 HD3 LYS 15 1HD LYS 15 -8.474 -2.125 -1.973 109 HE2 LYS 15 2HE LYS 15 -9.501 -4.257 -1.451 110 HE3 LYS 15 1HE LYS 15 -10.462 -3.494 -0.188 111 HZ1 LYS 15 1HZ LYS 15 -11.723 -3.828 -2.217 112 HZ2 LYS 15 2HZ LYS 15 -10.636 -2.849 -3.083 113 HZ3 LYS 15 3HZ LYS 15 -11.578 -2.188 -1.854 114 H CYS 16 H CYS 16 -5.337 0.641 -2.609 115 HA CYS 16 HA CYS 16 -4.228 2.356 -0.671 116 HB2 CYS 16 2HB CYS 16 -2.601 0.413 -1.600 117 HB3 CYS 16 1HB CYS 16 -2.499 1.538 -2.950 118 H CYS 17 H CYS 17 -3.813 4.436 -1.993 119 HA CYS 17 HA CYS 17 -5.941 4.827 -3.695 120 HB2 CYS 17 2HB CYS 17 -3.469 6.530 -3.394 121 HB3 CYS 17 1HB CYS 17 -4.915 7.022 -4.268 122 H ARG 18 H ARG 18 -2.640 3.988 -4.636 123 HA ARG 18 HA ARG 18 -1.838 2.925 -6.420 124 HB2 ARG 18 2HB ARG 18 -3.675 1.383 -5.933 125 HB3 ARG 18 1HB ARG 18 -4.753 2.309 -6.947 126 HG2 ARG 18 2HG ARG 18 -3.529 1.604 -8.931 127 HG3 ARG 18 1HG ARG 18 -2.343 0.775 -7.917 128 HD2 ARG 18 2HD ARG 18 -4.067 -0.706 -7.067 129 HD3 ARG 18 1HD ARG 18 -5.275 0.115 -8.050 130 HE ARG 18 HE ARG 18 -3.829 -0.640 -9.993 131 HH11 ARG 18 1HH1 ARG 18 -3.831 -2.540 -6.972 132 HH12 ARG 18 2HH1 ARG 18 -3.772 -4.013 -7.773 133 HH21 ARG 18 1HH2 ARG 18 -3.700 -2.746 -11.051 134 HH22 ARG 18 2HH2 ARG 18 -3.689 -4.151 -10.089 135 HA PRO 19 HA PRO 19 -1.020 2.177 -8.058 136 HB2 PRO 19 2HB PRO 19 0.478 2.264 -10.239 137 HB3 PRO 19 1HB PRO 19 -1.220 1.788 -10.325 138 HG2 PRO 19 2HG PRO 19 0.071 4.303 -11.193 139 HG3 PRO 19 1HG PRO 19 -1.400 3.525 -11.798 140 HD2 PRO 19 2HD PRO 19 -1.180 5.684 -9.905 141 HD3 PRO 19 1HD PRO 19 -2.658 4.903 -10.496 142 H ASN 20 H ASN 20 -0.334 5.358 -7.710 143 HA ASN 20 HA ASN 20 2.549 5.094 -7.648 144 HB2 ASN 20 2HB ASN 20 0.858 7.414 -6.654 145 HB3 ASN 20 1HB ASN 20 2.595 7.432 -6.927 146 HD21 ASN 20 1HD2 ASN 20 3.377 7.444 -9.108 147 HD22 ASN 20 2HD2 ASN 20 2.333 7.854 -10.406 148 H LEU 21 H LEU 21 -0.136 4.895 -5.571 149 HA LEU 21 HA LEU 21 1.652 4.224 -3.347 150 HB2 LEU 21 2HB LEU 21 -1.355 4.646 -3.163 151 HB3 LEU 21 1HB LEU 21 -0.206 4.439 -1.891 152 HG LEU 21 HG LEU 21 -0.220 6.874 -3.655 153 HD11 LEU 21 1HD1 LEU 21 -0.909 6.531 -0.754 154 HD12 LEU 21 2HD1 LEU 21 -2.061 6.840 -2.048 155 HD13 LEU 21 3HD1 LEU 21 -0.848 8.054 -1.635 156 HD21 LEU 21 1HD2 LEU 21 2.019 6.282 -3.021 157 HD22 LEU 21 2HD2 LEU 21 1.531 6.068 -1.350 158 HD23 LEU 21 3HD2 LEU 21 1.491 7.674 -2.078 159 H VAL 22 H VAL 22 1.967 2.195 -3.065 160 HA VAL 22 HA VAL 22 -0.099 0.361 -4.000 161 HB VAL 22 HB VAL 22 1.682 -1.273 -4.636 162 HG11 VAL 22 1HG1 VAL 22 2.296 -0.215 -6.752 163 HG12 VAL 22 2HG1 VAL 22 1.817 1.352 -6.105 164 HG13 VAL 22 3HG1 VAL 22 0.606 0.095 -6.347 165 HG21 VAL 22 1HG2 VAL 22 3.976 -0.473 -4.995 166 HG22 VAL 22 2HG2 VAL 22 3.521 -0.401 -3.292 167 HG23 VAL 22 3HG2 VAL 22 3.548 1.073 -4.261 168 H CYS 23 H CYS 23 -0.663 -1.196 -2.655 169 HA CYS 23 HA CYS 23 0.549 -1.178 -0.026 170 HB2 CYS 23 2HB CYS 23 -1.956 -1.260 -0.318 171 HB3 CYS 23 1HB CYS 23 -1.763 -2.821 -1.108 172 H SER 24 H SER 24 2.359 -2.309 0.136 173 HA SER 24 HA SER 24 3.083 -4.245 -1.765 174 HB2 SER 24 2HB SER 24 4.749 -2.977 -0.578 175 HB3 SER 24 1HB SER 24 4.196 -3.648 0.957 176 HG SER 24 HG SER 24 5.594 -4.909 -1.151 177 H ARG 25 H ARG 25 2.807 -6.353 -1.848 178 HA ARG 25 HA ARG 25 0.922 -7.728 -0.403 179 HB2 ARG 25 2HB ARG 25 1.573 -8.208 -2.663 180 HB3 ARG 25 1HB ARG 25 3.208 -8.581 -2.141 181 HG2 ARG 25 2HG ARG 25 2.279 -10.402 -0.805 182 HG3 ARG 25 1HG ARG 25 0.712 -10.092 -1.568 183 HD2 ARG 25 2HD ARG 25 1.982 -11.901 -2.719 184 HD3 ARG 25 1HD ARG 25 1.641 -10.506 -3.752 185 HE ARG 25 HE ARG 25 3.913 -9.775 -3.373 186 HH11 ARG 25 1HH1 ARG 25 3.265 -13.203 -2.704 187 HH12 ARG 25 2HH1 ARG 25 4.849 -13.701 -3.021 188 HH21 ARG 25 1HH2 ARG 25 6.121 -10.476 -3.735 189 HH22 ARG 25 2HH2 ARG 25 6.513 -12.114 -3.584 190 H LEU 26 H LEU 26 4.416 -7.646 -0.176 191 HA LEU 26 HA LEU 26 4.407 -9.592 1.983 192 HB2 LEU 26 2HB LEU 26 6.875 -9.449 1.935 193 HB3 LEU 26 1HB LEU 26 6.150 -10.008 0.438 194 HG LEU 26 HG LEU 26 6.952 -7.139 0.751 195 HD11 LEU 26 1HD1 LEU 26 8.766 -9.438 -0.028 196 HD12 LEU 26 2HD1 LEU 26 8.911 -8.459 1.430 197 HD13 LEU 26 3HD1 LEU 26 9.174 -7.728 -0.151 198 HD21 LEU 26 1HD2 LEU 26 5.675 -7.763 -1.252 199 HD22 LEU 26 2HD2 LEU 26 6.832 -9.039 -1.598 200 HD23 LEU 26 3HD2 LEU 26 7.334 -7.356 -1.682 201 H HIS 27 H HIS 27 5.197 -6.189 1.554 202 HA HIS 27 HA HIS 27 6.030 -6.004 4.301 203 HB2 HIS 27 2HB HIS 27 5.536 -3.738 2.339 204 HB3 HIS 27 1HB HIS 27 6.223 -3.555 3.942 205 HD1 HIS 27 1HD HIS 27 8.752 -4.323 4.256 206 HD2 HIS 27 2HD HIS 27 7.226 -4.779 0.409 207 HE1 HIS 27 1HE HIS 27 10.719 -4.764 2.778 208 H ARG 28 H ARG 28 3.064 -5.724 2.618 209 HA ARG 28 HA ARG 28 0.959 -5.715 3.314 210 HB2 ARG 28 2HB ARG 28 2.182 -5.975 6.056 211 HB3 ARG 28 1HB ARG 28 0.467 -6.144 5.709 212 HG2 ARG 28 2HG ARG 28 0.865 -8.110 4.408 213 HG3 ARG 28 1HG ARG 28 2.612 -7.871 4.505 214 HD2 ARG 28 2HD ARG 28 0.818 -8.325 6.877 215 HD3 ARG 28 1HD ARG 28 1.747 -9.589 6.070 216 HE ARG 28 HE ARG 28 3.715 -8.035 6.607 217 HH11 ARG 28 1HH1 ARG 28 0.920 -8.338 8.764 218 HH12 ARG 28 2HH1 ARG 28 1.838 -8.220 10.187 219 HH21 ARG 28 1HH2 ARG 28 4.952 -7.852 8.556 220 HH22 ARG 28 2HH2 ARG 28 4.208 -7.941 10.074 221 H TRP 29 H TRP 29 2.496 -3.213 3.071 222 HA TRP 29 HA TRP 29 0.488 -1.541 4.267 223 HB2 TRP 29 2HB TRP 29 2.104 0.101 5.149 224 HB3 TRP 29 1HB TRP 29 2.173 -1.425 6.000 225 HD1 TRP 29 HD TRP 29 4.136 -0.080 2.878 226 HE1 TRP 29 1HE TRP 29 6.662 -0.426 3.331 227 HE3 TRP 29 3HE TRP 29 3.872 -2.118 7.545 228 HZ2 TRP 29 2HZ TRP 29 8.299 -1.390 5.386 229 HZ3 TRP 29 3HZ TRP 29 5.968 -2.709 8.691 230 HH2 TRP 29 HH TRP 29 8.128 -2.347 7.625 231 H CYS 30 H CYS 30 0.433 0.571 3.419 232 HA CYS 30 HA CYS 30 0.932 0.678 0.619 233 HB2 CYS 30 2HB CYS 30 -0.246 2.568 2.591 234 HB3 CYS 30 1HB CYS 30 0.252 3.112 0.988 235 H LYS 31 H LYS 31 2.734 1.081 -0.267 236 HA LYS 31 HA LYS 31 4.576 2.903 1.089 237 HB2 LYS 31 2HB LYS 31 6.417 1.599 0.140 238 HB3 LYS 31 1HB LYS 31 5.329 0.541 0.994 239 HG2 LYS 31 2HG LYS 31 4.344 -0.160 -1.116 240 HG3 LYS 31 1HG LYS 31 5.461 0.897 -1.982 241 HD2 LYS 31 2HD LYS 31 7.346 -0.338 -0.930 242 HD3 LYS 31 1HD LYS 31 6.176 -1.457 -0.234 243 HE2 LYS 31 2HE LYS 31 7.039 -2.451 -2.218 244 HE3 LYS 31 1HE LYS 31 5.388 -1.941 -2.559 245 HZ1 LYS 31 1HZ LYS 31 6.843 -1.361 -4.373 246 HZ2 LYS 31 2HZ LYS 31 7.868 -0.520 -3.358 247 HZ3 LYS 31 3HZ LYS 31 6.339 0.075 -3.649 248 H TYR 32 H TYR 32 5.970 4.157 -0.381 249 HA TYR 32 HA TYR 32 4.293 5.236 -2.499 250 HB2 TYR 32 2HB TYR 32 6.790 6.311 -1.161 251 HB3 TYR 32 1HB TYR 32 5.881 7.153 -2.402 252 HD1 TYR 32 1HD TYR 32 5.919 6.119 1.129 253 HD2 TYR 32 2HD TYR 32 3.773 8.215 -1.873 254 HE1 TYR 32 1HE TYR 32 4.523 7.158 2.853 255 HE2 TYR 32 2HE TYR 32 2.374 9.257 -0.180 256 HH TYR 32 HH TYR 32 3.134 9.263 3.051 257 H VAL 33 H VAL 33 4.707 4.621 -4.525 258 HA VAL 33 HA VAL 33 7.440 3.791 -5.071 259 HB VAL 33 HB VAL 33 5.985 1.869 -5.343 260 HG11 VAL 33 1HG1 VAL 33 4.190 1.765 -6.979 261 HG12 VAL 33 2HG1 VAL 33 4.427 3.478 -7.336 262 HG13 VAL 33 3HG1 VAL 33 3.875 2.979 -5.737 263 HG21 VAL 33 1HG2 VAL 33 7.829 1.979 -6.881 264 HG22 VAL 33 2HG2 VAL 33 6.879 2.943 -8.009 265 HG23 VAL 33 3HG2 VAL 33 6.439 1.264 -7.695 266 H PHE 34 H PHE 34 8.421 5.438 -5.778 267 HA PHE 34 HA PHE 34 7.447 6.736 -8.201 268 HB2 PHE 34 2HB PHE 34 8.583 8.153 -5.774 269 HB3 PHE 34 1HB PHE 34 8.363 8.911 -7.342 270 HD1 PHE 34 1HD PHE 34 6.091 9.349 -8.182 271 HD2 PHE 34 2HD PHE 34 6.773 7.810 -4.285 272 HE1 PHE 34 1HE PHE 34 3.809 9.988 -7.546 273 HE2 PHE 34 2HE PHE 34 4.487 8.440 -3.636 274 HZ PHE 34 HZ PHE 34 2.998 9.533 -5.263 Start of MODEL 11 1 H1 ASP 1 1HT ASP 1 -5.777 12.775 2.801 2 H2 ASP 1 2HT ASP 1 -6.951 13.380 3.863 3 H3 ASP 1 3HT ASP 1 -7.299 13.144 2.222 4 HA ASP 1 HA ASP 1 -6.612 10.988 4.075 5 HB2 ASP 1 2HB ASP 1 -8.774 11.800 4.684 6 HB3 ASP 1 1HB ASP 1 -9.269 11.940 3.003 7 H CYS 2 H CYS 2 -5.655 9.432 2.990 8 HA CYS 2 HA CYS 2 -6.794 8.347 0.646 9 HB2 CYS 2 2HB CYS 2 -5.311 10.327 -0.158 10 HB3 CYS 2 1HB CYS 2 -3.948 9.386 0.429 11 H LEU 3 H LEU 3 -5.759 6.244 0.302 12 HA LEU 3 HA LEU 3 -4.852 5.160 2.813 13 HB2 LEU 3 2HB LEU 3 -5.165 3.917 0.175 14 HB3 LEU 3 1HB LEU 3 -5.015 3.025 1.674 15 HG LEU 3 HG LEU 3 -7.380 4.798 0.963 16 HD11 LEU 3 1HD1 LEU 3 -8.652 2.734 0.821 17 HD12 LEU 3 2HD1 LEU 3 -7.180 1.807 1.118 18 HD13 LEU 3 3HD1 LEU 3 -7.342 2.752 -0.363 19 HD21 LEU 3 1HD2 LEU 3 -8.404 3.890 2.963 20 HD22 LEU 3 2HD2 LEU 3 -6.896 4.721 3.359 21 HD23 LEU 3 3HD2 LEU 3 -6.945 2.961 3.302 22 H GLY 4 H GLY 4 -2.935 5.744 3.152 23 HA2 GLY 4 2HA GLY 4 -0.741 4.596 1.725 24 HA3 GLY 4 1HA GLY 4 -0.820 6.346 1.522 25 H ALA 5 H ALA 5 0.804 7.119 2.698 26 HA ALA 5 HA ALA 5 2.170 7.615 4.402 27 HB1 ALA 5 1HB ALA 5 1.165 8.058 6.523 28 HB2 ALA 5 2HB ALA 5 -0.272 7.119 6.096 29 HB3 ALA 5 3HB ALA 5 0.099 8.624 5.234 30 H PHE 6 H PHE 6 2.084 4.813 3.642 31 HA PHE 6 HA PHE 6 2.982 2.828 4.219 32 HB2 PHE 6 2HB PHE 6 4.180 4.366 6.538 33 HB3 PHE 6 1HB PHE 6 4.708 2.789 5.975 34 HD1 PHE 6 1HD PHE 6 4.841 6.366 5.469 35 HD2 PHE 6 2HD PHE 6 5.871 2.586 3.815 36 HE1 PHE 6 1HE PHE 6 6.471 7.467 3.984 37 HE2 PHE 6 2HE PHE 6 7.490 3.674 2.318 38 HZ PHE 6 HZ PHE 6 7.800 6.117 2.403 39 H ARG 7 H ARG 7 0.379 3.295 5.007 40 HA ARG 7 HA ARG 7 0.214 2.001 7.614 41 HB2 ARG 7 2HB ARG 7 -1.956 3.200 5.880 42 HB3 ARG 7 1HB ARG 7 -2.237 2.405 7.419 43 HG2 ARG 7 2HG ARG 7 -0.606 4.917 7.025 44 HG3 ARG 7 1HG ARG 7 -2.274 4.866 7.585 45 HD2 ARG 7 2HD ARG 7 -0.852 5.140 9.497 46 HD3 ARG 7 1HD ARG 7 -1.495 3.503 9.541 47 HE ARG 7 HE ARG 7 1.023 3.564 8.243 48 HH11 ARG 7 1HH1 ARG 7 -0.369 3.719 11.492 49 HH12 ARG 7 2HH1 ARG 7 0.992 3.058 12.259 50 HH21 ARG 7 1HH2 ARG 7 2.853 2.631 9.271 51 HH22 ARG 7 2HH2 ARG 7 2.881 2.408 10.946 52 H LYS 8 H LYS 8 -1.257 0.209 7.812 53 HA LYS 8 HA LYS 8 -0.477 -1.930 6.263 54 HB2 LYS 8 2HB LYS 8 -2.271 -3.209 7.323 55 HB3 LYS 8 1HB LYS 8 -1.410 -2.212 8.483 56 HG2 LYS 8 2HG LYS 8 -3.202 -0.625 8.558 57 HG3 LYS 8 1HG LYS 8 -4.038 -1.446 7.239 58 HD2 LYS 8 2HD LYS 8 -4.305 -3.430 8.649 59 HD3 LYS 8 1HD LYS 8 -3.469 -2.605 9.966 60 HE2 LYS 8 2HE LYS 8 -5.205 -0.923 10.056 61 HE3 LYS 8 1HE LYS 8 -6.013 -1.647 8.667 62 HZ1 LYS 8 1HZ LYS 8 -5.613 -3.008 11.281 63 HZ2 LYS 8 2HZ LYS 8 -6.475 -3.606 9.973 64 HZ3 LYS 8 3HZ LYS 8 -7.025 -2.254 10.784 65 H CYS 9 H CYS 9 -1.362 -3.118 4.671 66 HA CYS 9 HA CYS 9 -3.744 -2.061 3.326 67 HB2 CYS 9 2HB CYS 9 -2.631 -2.437 1.172 68 HB3 CYS 9 1HB CYS 9 -1.758 -1.253 2.143 69 H ILE 10 H ILE 10 -4.772 -3.692 1.980 70 HA ILE 10 HA ILE 10 -4.358 -6.411 2.936 71 HB ILE 10 HB ILE 10 -6.571 -5.191 1.236 72 HG12 ILE 10 2HG1 ILE 10 -6.600 -5.987 4.160 73 HG13 ILE 10 1HG1 ILE 10 -6.504 -4.337 3.560 74 HG21 ILE 10 1HG2 ILE 10 -6.305 -7.579 0.793 75 HG22 ILE 10 2HG2 ILE 10 -7.808 -7.268 1.658 76 HG23 ILE 10 3HG2 ILE 10 -6.416 -7.924 2.520 77 HD11 ILE 10 1HD1 ILE 10 -8.749 -4.885 4.294 78 HD12 ILE 10 2HD1 ILE 10 -8.800 -6.239 3.163 79 HD13 ILE 10 3HD1 ILE 10 -8.718 -4.587 2.554 80 HA PRO 11 HA PRO 11 -2.369 -6.872 -1.081 81 HB2 PRO 11 2HB PRO 11 -1.549 -9.502 -0.712 82 HB3 PRO 11 1HB PRO 11 -0.659 -8.072 -0.202 83 HG2 PRO 11 2HG PRO 11 -1.954 -10.038 1.459 84 HG3 PRO 11 1HG PRO 11 -1.006 -8.641 1.952 85 HD2 PRO 11 2HD PRO 11 -3.916 -8.983 1.895 86 HD3 PRO 11 1HD PRO 11 -2.937 -7.757 2.725 87 H ASP 12 H ASP 12 -4.906 -8.890 0.078 88 HA ASP 12 HA ASP 12 -5.271 -10.456 -2.334 89 HB2 ASP 12 2HB ASP 12 -7.114 -10.068 0.041 90 HB3 ASP 12 1HB ASP 12 -7.353 -11.244 -1.241 91 H ASN 13 H ASN 13 -6.025 -7.414 -1.316 92 HA ASN 13 HA ASN 13 -7.343 -6.666 -3.689 93 HB2 ASN 13 2HB ASN 13 -9.323 -7.543 -2.398 94 HB3 ASN 13 1HB ASN 13 -8.907 -6.455 -1.080 95 HD21 ASN 13 1HD2 ASN 13 -10.298 -6.717 -4.252 96 HD22 ASN 13 2HD2 ASN 13 -10.925 -5.122 -4.325 97 H ASP 14 H ASP 14 -5.605 -5.375 -3.805 98 HA ASP 14 HA ASP 14 -4.605 -4.027 -1.551 99 HB2 ASP 14 2HB ASP 14 -2.992 -2.909 -3.023 100 HB3 ASP 14 1HB ASP 14 -3.036 -4.643 -3.268 101 H LYS 15 H LYS 15 -5.164 -2.382 -0.615 102 HA LYS 15 HA LYS 15 -6.580 -0.333 -2.101 103 HB2 LYS 15 2HB LYS 15 -7.100 -1.226 0.737 104 HB3 LYS 15 1HB LYS 15 -7.812 0.194 -0.021 105 HG2 LYS 15 2HG LYS 15 -8.879 -1.237 -1.699 106 HG3 LYS 15 1HG LYS 15 -8.188 -2.658 -0.919 107 HD2 LYS 15 2HD LYS 15 -10.510 -2.345 -0.267 108 HD3 LYS 15 1HD LYS 15 -9.448 -2.127 1.124 109 HE2 LYS 15 2HE LYS 15 -9.609 0.309 0.844 110 HE3 LYS 15 1HE LYS 15 -10.661 0.074 -0.549 111 HZ1 LYS 15 1HZ LYS 15 -11.281 -0.815 2.213 112 HZ2 LYS 15 2HZ LYS 15 -12.313 -0.891 0.873 113 HZ3 LYS 15 3HZ LYS 15 -11.852 0.586 1.503 114 H CYS 16 H CYS 16 -4.862 0.847 -2.512 115 HA CYS 16 HA CYS 16 -3.837 2.467 -0.352 116 HB2 CYS 16 2HB CYS 16 -2.153 1.185 -2.544 117 HB3 CYS 16 1HB CYS 16 -1.576 2.378 -1.389 118 H CYS 17 H CYS 17 -2.682 4.435 -1.682 119 HA CYS 17 HA CYS 17 -4.636 5.309 -3.556 120 HB2 CYS 17 2HB CYS 17 -1.930 6.599 -3.230 121 HB3 CYS 17 1HB CYS 17 -3.424 7.336 -3.744 122 H ARG 18 H ARG 18 -4.454 3.499 -5.006 123 HA ARG 18 HA ARG 18 -2.128 3.105 -6.563 124 HB2 ARG 18 2HB ARG 18 -3.586 1.782 -8.098 125 HB3 ARG 18 1HB ARG 18 -3.718 1.285 -6.420 126 HG2 ARG 18 2HG ARG 18 -5.824 2.391 -6.191 127 HG3 ARG 18 1HG ARG 18 -5.657 3.139 -7.778 128 HD2 ARG 18 2HD ARG 18 -7.206 1.232 -7.793 129 HD3 ARG 18 1HD ARG 18 -5.823 0.970 -8.847 130 HE ARG 18 HE ARG 18 -4.969 -0.243 -6.707 131 HH11 ARG 18 1HH1 ARG 18 -8.305 -0.346 -7.966 132 HH12 ARG 18 2HH1 ARG 18 -8.524 -1.980 -7.537 133 HH21 ARG 18 1HH2 ARG 18 -5.333 -2.459 -6.148 134 HH22 ARG 18 2HH2 ARG 18 -6.849 -3.189 -6.498 135 HA PRO 19 HA PRO 19 -1.341 2.721 -8.283 136 HB2 PRO 19 2HB PRO 19 -0.081 3.295 -10.545 137 HB3 PRO 19 1HB PRO 19 -1.713 2.617 -10.565 138 HG2 PRO 19 2HG PRO 19 -0.812 5.363 -11.170 139 HG3 PRO 19 1HG PRO 19 -2.261 4.508 -11.735 140 HD2 PRO 19 2HD PRO 19 -1.993 6.389 -9.558 141 HD3 PRO 19 1HD PRO 19 -3.466 5.599 -10.147 142 H ASN 20 H ASN 20 -1.064 5.592 -7.134 143 HA ASN 20 HA ASN 20 1.702 6.275 -7.593 144 HB2 ASN 20 2HB ASN 20 -0.071 7.961 -6.965 145 HB3 ASN 20 1HB ASN 20 -0.110 7.250 -5.361 146 HD21 ASN 20 1HD2 ASN 20 1.697 9.144 -7.602 147 HD22 ASN 20 2HD2 ASN 20 2.858 9.760 -6.501 148 H LEU 21 H LEU 21 -0.154 4.611 -5.156 149 HA LEU 21 HA LEU 21 2.327 3.589 -3.980 150 HB2 LEU 21 2HB LEU 21 -0.342 4.004 -2.616 151 HB3 LEU 21 1HB LEU 21 0.985 3.105 -1.932 152 HG LEU 21 HG LEU 21 2.302 5.314 -2.127 153 HD11 LEU 21 1HD1 LEU 21 0.572 6.465 -3.494 154 HD12 LEU 21 2HD1 LEU 21 1.058 7.309 -2.026 155 HD13 LEU 21 3HD1 LEU 21 -0.470 6.436 -2.058 156 HD21 LEU 21 1HD2 LEU 21 1.683 4.237 -0.061 157 HD22 LEU 21 2HD2 LEU 21 0.067 4.936 -0.171 158 HD23 LEU 21 3HD2 LEU 21 1.467 5.983 0.057 159 H VAL 22 H VAL 22 2.225 1.441 -3.284 160 HA VAL 22 HA VAL 22 0.058 -0.177 -4.383 161 HB VAL 22 HB VAL 22 1.693 -1.927 -5.061 162 HG11 VAL 22 1HG1 VAL 22 0.885 -0.407 -6.771 163 HG12 VAL 22 2HG1 VAL 22 2.563 -0.849 -7.085 164 HG13 VAL 22 3HG1 VAL 22 2.180 0.729 -6.398 165 HG21 VAL 22 1HG2 VAL 22 3.535 -1.347 -3.580 166 HG22 VAL 22 2HG2 VAL 22 3.781 0.166 -4.453 167 HG23 VAL 22 3HG2 VAL 22 4.087 -1.375 -5.256 168 H CYS 23 H CYS 23 -0.058 -2.310 -3.299 169 HA CYS 23 HA CYS 23 0.556 -1.978 -0.500 170 HB2 CYS 23 2HB CYS 23 -1.672 -2.741 -1.053 171 HB3 CYS 23 1HB CYS 23 -1.020 -4.071 -2.001 172 H SER 24 H SER 24 2.570 -2.542 0.093 173 HA SER 24 HA SER 24 3.958 -4.666 -1.194 174 HB2 SER 24 2HB SER 24 5.196 -2.828 -0.122 175 HB3 SER 24 1HB SER 24 4.470 -3.232 1.431 176 HG SER 24 HG SER 24 6.243 -4.868 -0.099 177 H ARG 25 H ARG 25 3.569 -6.740 -0.800 178 HA ARG 25 HA ARG 25 1.910 -7.462 1.442 179 HB2 ARG 25 2HB ARG 25 1.949 -9.730 0.533 180 HB3 ARG 25 1HB ARG 25 1.568 -8.575 -0.730 181 HG2 ARG 25 2HG ARG 25 3.908 -8.715 -1.512 182 HG3 ARG 25 1HG ARG 25 4.213 -9.938 -0.280 183 HD2 ARG 25 2HD ARG 25 2.206 -10.127 -2.514 184 HD3 ARG 25 1HD ARG 25 3.760 -10.951 -2.461 185 HE ARG 25 HE ARG 25 2.229 -11.585 -0.171 186 HH11 ARG 25 1HH1 ARG 25 2.455 -12.324 -3.639 187 HH12 ARG 25 2HH1 ARG 25 1.698 -13.831 -3.519 188 HH21 ARG 25 1HH2 ARG 25 1.179 -13.713 0.001 189 HH22 ARG 25 2HH2 ARG 25 0.935 -14.616 -1.406 190 H LEU 26 H LEU 26 5.183 -7.244 0.652 191 HA LEU 26 HA LEU 26 6.218 -9.084 2.579 192 HB2 LEU 26 2HB LEU 26 7.457 -8.550 0.563 193 HB3 LEU 26 1HB LEU 26 7.495 -6.859 1.002 194 HG LEU 26 HG LEU 26 8.942 -7.412 2.929 195 HD11 LEU 26 1HD1 LEU 26 9.983 -9.604 3.061 196 HD12 LEU 26 2HD1 LEU 26 8.954 -10.181 1.752 197 HD13 LEU 26 3HD1 LEU 26 8.239 -9.706 3.295 198 HD21 LEU 26 1HD2 LEU 26 9.930 -8.358 0.253 199 HD22 LEU 26 2HD2 LEU 26 10.945 -7.903 1.618 200 HD23 LEU 26 3HD2 LEU 26 9.923 -6.695 0.838 201 H HIS 27 H HIS 27 6.050 -5.531 2.347 202 HA HIS 27 HA HIS 27 6.909 -5.298 5.099 203 HB2 HIS 27 2HB HIS 27 6.145 -3.201 3.054 204 HB3 HIS 27 1HB HIS 27 6.629 -2.817 4.701 205 HD1 HIS 27 1HD HIS 27 9.127 -2.366 4.983 206 HD2 HIS 27 2HD HIS 27 8.266 -4.645 1.605 207 HE1 HIS 27 1HE HIS 27 11.294 -2.663 3.784 208 H ARG 28 H ARG 28 4.018 -5.458 3.348 209 HA ARG 28 HA ARG 28 1.919 -5.765 3.898 210 HB2 ARG 28 2HB ARG 28 2.981 -6.847 5.995 211 HB3 ARG 28 1HB ARG 28 2.508 -5.371 6.825 212 HG2 ARG 28 2HG ARG 28 0.190 -5.768 6.168 213 HG3 ARG 28 1HG ARG 28 0.695 -7.270 5.396 214 HD2 ARG 28 2HD ARG 28 1.591 -8.009 7.602 215 HD3 ARG 28 1HD ARG 28 0.824 -6.593 8.325 216 HE ARG 28 HE ARG 28 -0.711 -8.557 6.795 217 HH11 ARG 28 1HH1 ARG 28 -0.373 -6.600 9.721 218 HH12 ARG 28 2HH1 ARG 28 -1.670 -7.340 10.526 219 HH21 ARG 28 1HH2 ARG 28 -2.513 -9.569 7.938 220 HH22 ARG 28 2HH2 ARG 28 -2.887 -9.047 9.513 221 H TRP 29 H TRP 29 3.179 -3.080 3.537 222 HA TRP 29 HA TRP 29 0.838 -1.622 4.397 223 HB2 TRP 29 2HB TRP 29 2.125 0.349 5.100 224 HB3 TRP 29 1HB TRP 29 2.437 -1.063 6.091 225 HD1 TRP 29 HD TRP 29 4.190 0.505 2.951 226 HE1 TRP 29 1HE TRP 29 6.738 0.532 3.411 227 HE3 TRP 29 3HE TRP 29 4.219 -1.584 7.612 228 HZ2 TRP 29 2HZ TRP 29 8.487 -0.188 5.458 229 HZ3 TRP 29 3HZ TRP 29 6.375 -1.874 8.758 230 HH2 TRP 29 HH TRP 29 8.468 -1.189 7.700 231 H CYS 30 H CYS 30 0.626 0.462 3.375 232 HA CYS 30 HA CYS 30 0.931 0.291 0.551 233 HB2 CYS 30 2HB CYS 30 -0.035 2.448 2.403 234 HB3 CYS 30 1HB CYS 30 -0.063 2.637 0.662 235 H LYS 31 H LYS 31 2.834 0.599 -0.363 236 HA LYS 31 HA LYS 31 4.590 2.650 0.767 237 HB2 LYS 31 2HB LYS 31 6.474 1.428 -0.207 238 HB3 LYS 31 1HB LYS 31 5.542 0.389 0.848 239 HG2 LYS 31 2HG LYS 31 4.573 -0.740 -1.009 240 HG3 LYS 31 1HG LYS 31 5.264 0.427 -2.139 241 HD2 LYS 31 2HD LYS 31 7.517 -0.275 -1.466 242 HD3 LYS 31 1HD LYS 31 6.816 -1.469 -0.376 243 HE2 LYS 31 2HE LYS 31 5.768 -2.596 -2.249 244 HE3 LYS 31 1HE LYS 31 6.377 -1.369 -3.354 245 HZ1 LYS 31 1HZ LYS 31 7.680 -3.397 -3.360 246 HZ2 LYS 31 2HZ LYS 31 8.113 -3.173 -1.746 247 HZ3 LYS 31 3HZ LYS 31 8.604 -2.074 -2.917 248 H TYR 32 H TYR 32 5.723 3.969 -0.678 249 HA TYR 32 HA TYR 32 4.143 4.747 -2.994 250 HB2 TYR 32 2HB TYR 32 6.592 6.037 -1.743 251 HB3 TYR 32 1HB TYR 32 5.573 6.757 -2.978 252 HD1 TYR 32 1HD TYR 32 3.512 7.845 -2.381 253 HD2 TYR 32 2HD TYR 32 5.730 5.749 0.578 254 HE1 TYR 32 1HE TYR 32 2.105 8.826 -0.627 255 HE2 TYR 32 2HE TYR 32 4.332 6.713 2.324 256 HH TYR 32 HH TYR 32 2.902 8.801 2.581 257 H VAL 33 H VAL 33 4.820 4.456 -5.084 258 HA VAL 33 HA VAL 33 7.542 3.490 -5.459 259 HB VAL 33 HB VAL 33 6.665 2.076 -7.407 260 HG11 VAL 33 1HG1 VAL 33 6.025 0.207 -5.941 261 HG12 VAL 33 2HG1 VAL 33 5.843 1.338 -4.599 262 HG13 VAL 33 3HG1 VAL 33 7.428 1.081 -5.325 263 HG21 VAL 33 1HG2 VAL 33 4.322 1.354 -7.285 264 HG22 VAL 33 2HG2 VAL 33 4.430 3.093 -7.571 265 HG23 VAL 33 3HG2 VAL 33 4.041 2.488 -5.964 266 H PHE 34 H PHE 34 8.709 4.643 -6.740 267 HA PHE 34 HA PHE 34 7.472 6.135 -8.872 268 HB2 PHE 34 2HB PHE 34 8.986 8.125 -8.218 269 HB3 PHE 34 1HB PHE 34 7.539 7.866 -7.266 270 HD1 PHE 34 1HD PHE 34 7.696 7.063 -4.966 271 HD2 PHE 34 2HD PHE 34 11.187 7.862 -7.259 272 HE1 PHE 34 1HE PHE 34 9.040 7.070 -2.911 273 HE2 PHE 34 2HE PHE 34 12.537 7.866 -5.209 274 HZ PHE 34 HZ PHE 34 11.468 7.468 -3.033 Start of MODEL 12 1 H1 ASP 1 1HT ASP 1 -9.180 9.494 3.498 2 H2 ASP 1 2HT ASP 1 -9.377 10.722 2.391 3 H3 ASP 1 3HT ASP 1 -9.352 11.090 4.038 4 HA ASP 1 HA ASP 1 -7.256 11.667 2.959 5 HB2 ASP 1 2HB ASP 1 -7.055 9.235 4.767 6 HB3 ASP 1 1HB ASP 1 -5.702 10.263 4.330 7 H CYS 2 H CYS 2 -5.317 10.826 1.933 8 HA CYS 2 HA CYS 2 -5.944 8.928 -0.124 9 HB2 CYS 2 2HB CYS 2 -4.432 10.897 -0.508 10 HB3 CYS 2 1HB CYS 2 -3.304 10.211 0.650 11 H LEU 3 H LEU 3 -5.996 6.834 0.343 12 HA LEU 3 HA LEU 3 -4.958 5.679 2.677 13 HB2 LEU 3 2HB LEU 3 -5.495 4.406 0.054 14 HB3 LEU 3 1HB LEU 3 -5.294 3.525 1.550 15 HG LEU 3 HG LEU 3 -7.609 5.359 0.873 16 HD11 LEU 3 1HD1 LEU 3 -8.938 3.316 0.917 17 HD12 LEU 3 2HD1 LEU 3 -7.481 2.370 1.223 18 HD13 LEU 3 3HD1 LEU 3 -7.670 3.222 -0.308 19 HD21 LEU 3 1HD2 LEU 3 -7.082 3.704 3.338 20 HD22 LEU 3 2HD2 LEU 3 -8.573 4.574 2.985 21 HD23 LEU 3 3HD2 LEU 3 -7.072 5.466 3.236 22 H GLY 4 H GLY 4 -3.007 5.474 3.138 23 HA2 GLY 4 2HA GLY 4 -0.988 4.206 1.882 24 HA3 GLY 4 1HA GLY 4 -0.953 5.815 1.171 25 H ALA 5 H ALA 5 1.163 5.989 2.085 26 HA ALA 5 HA ALA 5 2.690 6.573 3.570 27 HB1 ALA 5 1HB ALA 5 2.142 8.238 5.255 28 HB2 ALA 5 2HB ALA 5 0.430 7.837 5.137 29 HB3 ALA 5 3HB ALA 5 1.251 8.594 3.772 30 H PHE 6 H PHE 6 2.533 4.150 3.799 31 HA PHE 6 HA PHE 6 3.124 2.418 5.051 32 HB2 PHE 6 2HB PHE 6 3.300 4.409 7.315 33 HB3 PHE 6 1HB PHE 6 3.911 2.761 7.363 34 HD1 PHE 6 1HD PHE 6 5.708 2.114 5.672 35 HD2 PHE 6 2HD PHE 6 4.613 6.144 6.489 36 HE1 PHE 6 1HE PHE 6 7.842 2.879 4.736 37 HE2 PHE 6 2HE PHE 6 6.739 6.917 5.550 38 HZ PHE 6 HZ PHE 6 8.364 5.286 4.668 39 H ARG 7 H ARG 7 0.208 3.402 5.019 40 HA ARG 7 HA ARG 7 -0.963 2.272 7.365 41 HB2 ARG 7 2HB ARG 7 -2.101 2.790 4.618 42 HB3 ARG 7 1HB ARG 7 -3.036 2.047 5.904 43 HG2 ARG 7 2HG ARG 7 -1.813 4.797 5.978 44 HG3 ARG 7 1HG ARG 7 -3.507 4.422 5.664 45 HD2 ARG 7 2HD ARG 7 -1.990 3.839 8.206 46 HD3 ARG 7 1HD ARG 7 -3.190 5.107 7.972 47 HE ARG 7 HE ARG 7 -4.421 2.734 7.312 48 HH11 ARG 7 1HH1 ARG 7 -2.970 4.175 10.188 49 HH12 ARG 7 2HH1 ARG 7 -3.924 3.324 11.304 50 HH21 ARG 7 1HH2 ARG 7 -5.773 1.545 8.829 51 HH22 ARG 7 2HH2 ARG 7 -5.608 1.801 10.494 52 H LYS 8 H LYS 8 -1.008 0.233 7.926 53 HA LYS 8 HA LYS 8 -0.216 -1.835 6.194 54 HB2 LYS 8 2HB LYS 8 -0.934 -3.367 8.045 55 HB3 LYS 8 1HB LYS 8 0.186 -2.109 8.534 56 HG2 LYS 8 2HG LYS 8 -1.781 -0.818 9.405 57 HG3 LYS 8 1HG LYS 8 -2.768 -2.233 9.050 58 HD2 LYS 8 2HD LYS 8 -1.423 -3.593 10.521 59 HD3 LYS 8 1HD LYS 8 -0.350 -2.234 10.847 60 HE2 LYS 8 2HE LYS 8 -2.236 -1.017 11.852 61 HE3 LYS 8 1HE LYS 8 -3.279 -2.406 11.549 62 HZ1 LYS 8 1HZ LYS 8 -0.869 -2.412 13.287 63 HZ2 LYS 8 2HZ LYS 8 -1.898 -3.731 13.004 64 HZ3 LYS 8 3HZ LYS 8 -2.471 -2.391 13.811 65 H CYS 9 H CYS 9 -1.262 -2.699 4.655 66 HA CYS 9 HA CYS 9 -4.186 -2.503 4.578 67 HB2 CYS 9 2HB CYS 9 -3.778 -2.286 2.081 68 HB3 CYS 9 1HB CYS 9 -3.346 -0.901 3.086 69 H ILE 10 H ILE 10 -4.996 -3.946 2.728 70 HA ILE 10 HA ILE 10 -3.986 -6.633 3.132 71 HB ILE 10 HB ILE 10 -6.449 -5.654 1.619 72 HG12 ILE 10 2HG1 ILE 10 -7.719 -6.812 3.529 73 HG13 ILE 10 1HG1 ILE 10 -6.203 -6.778 4.409 74 HG21 ILE 10 1HG2 ILE 10 -5.662 -8.457 2.356 75 HG22 ILE 10 2HG2 ILE 10 -5.688 -7.746 0.741 76 HG23 ILE 10 3HG2 ILE 10 -7.197 -7.982 1.625 77 HD11 ILE 10 1HD1 ILE 10 -7.720 -4.380 3.401 78 HD12 ILE 10 2HD1 ILE 10 -6.210 -4.338 4.311 79 HD13 ILE 10 3HD1 ILE 10 -7.678 -4.961 5.064 80 HA PRO 11 HA PRO 11 -2.026 -5.801 -0.923 81 HB2 PRO 11 2HB PRO 11 -0.495 -8.228 -0.504 82 HB3 PRO 11 1HB PRO 11 0.086 -6.563 -0.510 83 HG2 PRO 11 2HG PRO 11 0.038 -8.108 1.736 84 HG3 PRO 11 1HG PRO 11 -0.120 -6.345 1.763 85 HD2 PRO 11 2HD PRO 11 -2.245 -8.439 1.948 86 HD3 PRO 11 1HD PRO 11 -2.053 -6.929 2.879 87 H ASP 12 H ASP 12 -3.893 -8.322 0.180 88 HA ASP 12 HA ASP 12 -3.912 -9.946 -2.197 89 HB2 ASP 12 2HB ASP 12 -5.769 -9.789 0.174 90 HB3 ASP 12 1HB ASP 12 -6.067 -10.870 -1.170 91 H ASN 13 H ASN 13 -5.162 -7.012 -1.332 92 HA ASN 13 HA ASN 13 -6.311 -6.517 -3.847 93 HB2 ASN 13 2HB ASN 13 -8.302 -7.595 -2.828 94 HB3 ASN 13 1HB ASN 13 -8.153 -6.535 -1.430 95 HD21 ASN 13 1HD2 ASN 13 -10.227 -5.755 -1.771 96 HD22 ASN 13 2HD2 ASN 13 -10.595 -4.627 -3.037 97 H ASP 14 H ASP 14 -4.752 -5.011 -3.843 98 HA ASP 14 HA ASP 14 -3.810 -3.404 -1.819 99 HB2 ASP 14 2HB ASP 14 -4.060 -2.737 -4.742 100 HB3 ASP 14 1HB ASP 14 -3.136 -1.774 -3.590 101 H LYS 15 H LYS 15 -4.857 -2.087 -0.566 102 HA LYS 15 HA LYS 15 -6.804 -0.262 -1.755 103 HB2 LYS 15 2HB LYS 15 -6.741 -1.432 1.038 104 HB3 LYS 15 1HB LYS 15 -7.806 -0.121 0.549 105 HG2 LYS 15 2HG LYS 15 -8.936 -1.551 -1.017 106 HG3 LYS 15 1HG LYS 15 -7.789 -2.857 -0.711 107 HD2 LYS 15 2HD LYS 15 -8.564 -3.058 1.562 108 HD3 LYS 15 1HD LYS 15 -9.611 -1.655 1.368 109 HE2 LYS 15 2HE LYS 15 -9.854 -4.231 -0.176 110 HE3 LYS 15 1HE LYS 15 -10.830 -3.803 1.225 111 HZ1 LYS 15 1HZ LYS 15 -12.014 -3.339 -0.810 112 HZ2 LYS 15 2HZ LYS 15 -10.770 -2.370 -1.378 113 HZ3 LYS 15 3HZ LYS 15 -11.667 -1.882 -0.039 114 H CYS 16 H CYS 16 -5.277 1.172 -2.266 115 HA CYS 16 HA CYS 16 -4.298 2.929 -0.237 116 HB2 CYS 16 2HB CYS 16 -2.398 1.665 -2.263 117 HB3 CYS 16 1HB CYS 16 -1.981 2.837 -1.025 118 H CYS 17 H CYS 17 -3.276 4.855 -1.710 119 HA CYS 17 HA CYS 17 -5.030 5.322 -3.873 120 HB2 CYS 17 2HB CYS 17 -2.472 6.754 -3.121 121 HB3 CYS 17 1HB CYS 17 -3.627 7.332 -4.316 122 H ARG 18 H ARG 18 -4.804 3.537 -5.135 123 HA ARG 18 HA ARG 18 -2.337 2.620 -6.239 124 HB2 ARG 18 2HB ARG 18 -4.359 1.197 -5.756 125 HB3 ARG 18 1HB ARG 18 -5.163 1.975 -7.108 126 HG2 ARG 18 2HG ARG 18 -3.301 1.122 -8.563 127 HG3 ARG 18 1HG ARG 18 -2.769 0.165 -7.183 128 HD2 ARG 18 2HD ARG 18 -5.451 0.004 -8.560 129 HD3 ARG 18 1HD ARG 18 -4.133 -1.156 -8.675 130 HE ARG 18 HE ARG 18 -5.113 -0.725 -6.010 131 HH11 ARG 18 1HH1 ARG 18 -5.487 -2.624 -8.987 132 HH12 ARG 18 2HH1 ARG 18 -6.257 -3.939 -8.237 133 HH21 ARG 18 1HH2 ARG 18 -6.259 -2.545 -4.966 134 HH22 ARG 18 2HH2 ARG 18 -6.730 -3.865 -5.933 135 HA PRO 19 HA PRO 19 -1.274 1.965 -7.747 136 HB2 PRO 19 2HB PRO 19 0.189 2.007 -9.956 137 HB3 PRO 19 1HB PRO 19 -1.451 1.347 -9.976 138 HG2 PRO 19 2HG PRO 19 -0.432 3.850 -11.144 139 HG3 PRO 19 1HG PRO 19 -1.892 2.935 -11.559 140 HD2 PRO 19 2HD PRO 19 -1.608 5.257 -9.819 141 HD3 PRO 19 1HD PRO 19 -3.096 4.471 -10.381 142 H ASN 20 H ASN 20 -1.035 5.021 -7.309 143 HA ASN 20 HA ASN 20 1.777 5.560 -7.639 144 HB2 ASN 20 2HB ASN 20 -0.363 7.069 -6.096 145 HB3 ASN 20 1HB ASN 20 1.293 7.625 -6.274 146 HD21 ASN 20 1HD2 ASN 20 0.623 9.503 -7.304 147 HD22 ASN 20 2HD2 ASN 20 0.063 9.523 -8.930 148 H LEU 21 H LEU 21 -0.387 4.657 -5.082 149 HA LEU 21 HA LEU 21 1.903 3.935 -3.402 150 HB2 LEU 21 2HB LEU 21 -0.917 4.569 -2.483 151 HB3 LEU 21 1HB LEU 21 0.486 4.285 -1.475 152 HG LEU 21 HG LEU 21 0.027 6.708 -3.219 153 HD11 LEU 21 1HD1 LEU 21 -0.119 7.926 -1.156 154 HD12 LEU 21 2HD1 LEU 21 0.219 6.468 -0.243 155 HD13 LEU 21 3HD1 LEU 21 -1.305 6.612 -1.134 156 HD21 LEU 21 1HD2 LEU 21 2.083 7.579 -2.223 157 HD22 LEU 21 2HD2 LEU 21 2.382 6.130 -3.179 158 HD23 LEU 21 3HD2 LEU 21 2.347 6.034 -1.418 159 H VAL 22 H VAL 22 2.033 1.807 -3.158 160 HA VAL 22 HA VAL 22 -0.330 0.213 -3.866 161 HB VAL 22 HB VAL 22 1.142 -1.532 -4.751 162 HG11 VAL 22 1HG1 VAL 22 1.535 1.165 -6.036 163 HG12 VAL 22 2HG1 VAL 22 0.193 0.053 -6.312 164 HG13 VAL 22 3HG1 VAL 22 1.825 -0.386 -6.823 165 HG21 VAL 22 1HG2 VAL 22 3.163 -1.073 -3.489 166 HG22 VAL 22 2HG2 VAL 22 3.360 0.466 -4.324 167 HG23 VAL 22 3HG2 VAL 22 3.515 -1.048 -5.218 168 H CYS 23 H CYS 23 -0.331 -1.991 -2.927 169 HA CYS 23 HA CYS 23 0.578 -1.726 -0.185 170 HB2 CYS 23 2HB CYS 23 -1.860 -2.114 -0.749 171 HB3 CYS 23 1HB CYS 23 -1.390 -3.691 -1.366 172 H SER 24 H SER 24 2.429 -2.646 0.181 173 HA SER 24 HA SER 24 3.636 -4.592 -1.519 174 HB2 SER 24 2HB SER 24 4.971 -2.977 -0.280 175 HB3 SER 24 1HB SER 24 4.367 -3.605 1.246 176 HG SER 24 HG SER 24 6.101 -4.875 -0.619 177 H ARG 25 H ARG 25 3.829 -6.788 -1.213 178 HA ARG 25 HA ARG 25 1.965 -8.021 0.614 179 HB2 ARG 25 2HB ARG 25 4.071 -9.251 -1.182 180 HB3 ARG 25 1HB ARG 25 2.874 -10.146 -0.272 181 HG2 ARG 25 2HG ARG 25 1.102 -9.181 -1.609 182 HG3 ARG 25 1HG ARG 25 2.281 -8.204 -2.493 183 HD2 ARG 25 2HD ARG 25 3.368 -10.185 -3.309 184 HD3 ARG 25 1HD ARG 25 2.286 -11.215 -2.368 185 HE ARG 25 HE ARG 25 0.627 -9.776 -3.920 186 HH11 ARG 25 1HH1 ARG 25 3.474 -11.748 -4.686 187 HH12 ARG 25 2HH1 ARG 25 2.880 -12.266 -6.191 188 HH21 ARG 25 1HH2 ARG 25 -0.185 -10.487 -5.992 189 HH22 ARG 25 2HH2 ARG 25 0.740 -11.544 -6.956 190 H LEU 26 H LEU 26 5.384 -7.603 0.180 191 HA LEU 26 HA LEU 26 6.344 -9.268 2.219 192 HB2 LEU 26 2HB LEU 26 7.711 -8.417 0.362 193 HB3 LEU 26 1HB LEU 26 7.579 -6.796 1.004 194 HG LEU 26 HG LEU 26 8.833 -7.536 3.021 195 HD11 LEU 26 1HD1 LEU 26 10.059 -9.653 2.914 196 HD12 LEU 26 2HD1 LEU 26 9.149 -10.094 1.469 197 HD13 LEU 26 3HD1 LEU 26 8.318 -9.871 3.010 198 HD21 LEU 26 1HD2 LEU 26 11.020 -7.695 1.904 199 HD22 LEU 26 2HD2 LEU 26 10.002 -6.430 1.228 200 HD23 LEU 26 3HD2 LEU 26 10.199 -7.958 0.364 201 H HIS 27 H HIS 27 5.820 -5.772 2.140 202 HA HIS 27 HA HIS 27 6.392 -5.608 4.987 203 HB2 HIS 27 2HB HIS 27 5.655 -3.416 3.044 204 HB3 HIS 27 1HB HIS 27 6.197 -3.186 4.699 205 HD1 HIS 27 1HD HIS 27 8.791 -3.478 5.146 206 HD2 HIS 27 2HD HIS 27 7.584 -4.055 1.212 207 HE1 HIS 27 1HE HIS 27 10.886 -3.468 3.778 208 H ARG 28 H ARG 28 3.680 -5.831 2.917 209 HA ARG 28 HA ARG 28 1.522 -5.742 3.120 210 HB2 ARG 28 2HB ARG 28 2.071 -7.515 4.797 211 HB3 ARG 28 1HB ARG 28 2.017 -6.296 6.061 212 HG2 ARG 28 2HG ARG 28 -0.311 -5.863 5.539 213 HG3 ARG 28 1HG ARG 28 -0.242 -7.083 4.266 214 HD2 ARG 28 2HD ARG 28 0.334 -7.664 7.164 215 HD3 ARG 28 1HD ARG 28 -1.256 -7.884 6.437 216 HE ARG 28 HE ARG 28 0.176 -9.350 4.810 217 HH11 ARG 28 1HH1 ARG 28 0.447 -9.168 8.331 218 HH12 ARG 28 2HH1 ARG 28 0.880 -10.799 8.519 219 HH21 ARG 28 1HH2 ARG 28 0.719 -11.578 5.070 220 HH22 ARG 28 2HH2 ARG 28 1.040 -12.214 6.619 221 H TRP 29 H TRP 29 2.719 -3.255 3.100 222 HA TRP 29 HA TRP 29 0.532 -1.779 4.201 223 HB2 TRP 29 2HB TRP 29 1.832 0.001 5.245 224 HB3 TRP 29 1HB TRP 29 2.235 -1.523 5.999 225 HD1 TRP 29 HD TRP 29 3.787 0.663 3.142 226 HE1 TRP 29 1HE TRP 29 6.336 0.718 3.497 227 HE3 TRP 29 3HE TRP 29 4.105 -2.313 7.278 228 HZ2 TRP 29 2HZ TRP 29 8.216 -0.330 5.283 229 HZ3 TRP 29 3HZ TRP 29 6.321 -2.724 8.255 230 HH2 TRP 29 HH TRP 29 8.333 -1.746 7.270 231 H CYS 30 H CYS 30 0.456 0.416 3.378 232 HA CYS 30 HA CYS 30 0.824 0.435 0.557 233 HB2 CYS 30 2HB CYS 30 0.120 2.662 2.441 234 HB3 CYS 30 1HB CYS 30 -0.010 2.751 0.688 235 H LYS 31 H LYS 31 2.748 0.605 -0.248 236 HA LYS 31 HA LYS 31 4.685 2.447 0.948 237 HB2 LYS 31 2HB LYS 31 6.426 1.168 -0.171 238 HB3 LYS 31 1HB LYS 31 5.450 0.112 0.833 239 HG2 LYS 31 2HG LYS 31 4.285 -0.721 -1.123 240 HG3 LYS 31 1HG LYS 31 5.172 0.404 -2.151 241 HD2 LYS 31 2HD LYS 31 6.473 -1.731 -0.465 242 HD3 LYS 31 1HD LYS 31 6.064 -1.939 -2.169 243 HE2 LYS 31 2HE LYS 31 7.977 0.099 -1.005 244 HE3 LYS 31 1HE LYS 31 8.415 -1.391 -1.828 245 HZ1 LYS 31 1HZ LYS 31 7.256 -0.481 -3.829 246 HZ2 LYS 31 2HZ LYS 31 8.643 0.294 -3.350 247 HZ3 LYS 31 3HZ LYS 31 7.186 1.037 -3.046 248 H TYR 32 H TYR 32 6.212 3.309 -0.780 249 HA TYR 32 HA TYR 32 4.537 4.668 -2.726 250 HB2 TYR 32 2HB TYR 32 7.360 5.204 -1.765 251 HB3 TYR 32 1HB TYR 32 6.440 6.237 -2.851 252 HD1 TYR 32 1HD TYR 32 4.757 7.707 -2.018 253 HD2 TYR 32 2HD TYR 32 6.702 5.034 0.657 254 HE1 TYR 32 1HE TYR 32 3.771 8.883 -0.148 255 HE2 TYR 32 2HE TYR 32 5.710 6.216 2.562 256 HH TYR 32 HH TYR 32 4.775 8.530 3.020 257 H VAL 33 H VAL 33 4.878 4.469 -4.929 258 HA VAL 33 HA VAL 33 7.285 3.089 -5.763 259 HB VAL 33 HB VAL 33 5.937 2.067 -7.713 260 HG11 VAL 33 1HG1 VAL 33 5.317 0.102 -6.394 261 HG12 VAL 33 2HG1 VAL 33 5.502 1.051 -4.916 262 HG13 VAL 33 3HG1 VAL 33 6.899 0.734 -5.941 263 HG21 VAL 33 1HG2 VAL 33 3.887 3.319 -7.366 264 HG22 VAL 33 2HG2 VAL 33 3.688 2.575 -5.780 265 HG23 VAL 33 3HG2 VAL 33 3.586 1.584 -7.241 266 H PHE 34 H PHE 34 8.225 4.898 -6.216 267 HA PHE 34 HA PHE 34 7.357 6.213 -8.661 268 HB2 PHE 34 2HB PHE 34 8.469 7.607 -6.204 269 HB3 PHE 34 1HB PHE 34 8.179 8.375 -7.752 270 HD1 PHE 34 1HD PHE 34 6.711 7.237 -4.656 271 HD2 PHE 34 2HD PHE 34 5.859 8.737 -8.533 272 HE1 PHE 34 1HE PHE 34 4.415 7.803 -3.934 273 HE2 PHE 34 2HE PHE 34 3.571 9.307 -7.811 274 HZ PHE 34 HZ PHE 34 2.861 8.840 -5.506 Start of MODEL 13 1 H1 ASP 1 1HT ASP 1 -3.719 13.765 2.064 2 H2 ASP 1 2HT ASP 1 -3.886 14.301 3.655 3 H3 ASP 1 3HT ASP 1 -5.249 13.899 2.723 4 HA ASP 1 HA ASP 1 -3.129 12.020 3.482 5 HB2 ASP 1 2HB ASP 1 -5.927 12.343 4.576 6 HB3 ASP 1 1HB ASP 1 -4.948 10.902 4.821 7 H CYS 2 H CYS 2 -2.925 10.641 1.917 8 HA CYS 2 HA CYS 2 -5.272 10.006 0.273 9 HB2 CYS 2 2HB CYS 2 -2.865 10.874 -0.573 10 HB3 CYS 2 1HB CYS 2 -2.471 9.172 -0.413 11 H LEU 3 H LEU 3 -5.815 7.763 0.093 12 HA LEU 3 HA LEU 3 -5.341 6.152 2.345 13 HB2 LEU 3 2HB LEU 3 -6.173 5.287 -0.398 14 HB3 LEU 3 1HB LEU 3 -6.278 4.304 1.034 15 HG LEU 3 HG LEU 3 -7.859 6.835 0.582 16 HD11 LEU 3 1HD1 LEU 3 -9.773 5.324 0.386 17 HD12 LEU 3 2HD1 LEU 3 -8.682 3.940 0.502 18 HD13 LEU 3 3HD1 LEU 3 -8.573 5.033 -0.873 19 HD21 LEU 3 1HD2 LEU 3 -9.076 6.143 2.585 20 HD22 LEU 3 2HD2 LEU 3 -7.377 6.441 2.943 21 HD23 LEU 3 3HD2 LEU 3 -7.973 4.785 2.790 22 H GLY 4 H GLY 4 -3.776 4.980 2.853 23 HA2 GLY 4 2HA GLY 4 -2.129 3.262 2.138 24 HA3 GLY 4 1HA GLY 4 -1.645 4.419 0.897 25 H ALA 5 H ALA 5 0.182 5.398 1.412 26 HA ALA 5 HA ALA 5 1.815 6.439 2.519 27 HB1 ALA 5 1HB ALA 5 -0.401 7.438 4.311 28 HB2 ALA 5 2HB ALA 5 0.053 8.145 2.760 29 HB3 ALA 5 3HB ALA 5 1.191 8.174 4.107 30 H PHE 6 H PHE 6 2.206 4.048 3.110 31 HA PHE 6 HA PHE 6 3.271 2.649 4.476 32 HB2 PHE 6 2HB PHE 6 3.359 4.992 6.385 33 HB3 PHE 6 1HB PHE 6 4.130 3.449 6.713 34 HD1 PHE 6 1HD PHE 6 6.038 2.716 5.321 35 HD2 PHE 6 2HD PHE 6 4.331 6.593 4.928 36 HE1 PHE 6 1HE PHE 6 8.061 3.485 4.161 37 HE2 PHE 6 2HE PHE 6 6.349 7.361 3.755 38 HZ PHE 6 HZ PHE 6 8.215 5.812 3.369 39 H ARG 7 H ARG 7 0.219 3.327 4.794 40 HA ARG 7 HA ARG 7 -0.164 2.108 7.395 41 HB2 ARG 7 2HB ARG 7 -2.208 3.003 5.350 42 HB3 ARG 7 1HB ARG 7 -2.609 2.325 6.918 43 HG2 ARG 7 2HG ARG 7 -1.197 4.934 6.377 44 HG3 ARG 7 1HG ARG 7 -2.829 4.715 7.007 45 HD2 ARG 7 2HD ARG 7 -0.253 3.942 8.372 46 HD3 ARG 7 1HD ARG 7 -1.293 5.295 8.795 47 HE ARG 7 HE ARG 7 -2.904 3.094 8.950 48 HH11 ARG 7 1HH1 ARG 7 0.142 4.052 10.506 49 HH12 ARG 7 2HH1 ARG 7 -0.185 3.203 11.943 50 HH21 ARG 7 1HH2 ARG 7 -3.312 1.923 10.910 51 HH22 ARG 7 2HH2 ARG 7 -2.174 1.951 12.172 52 H LYS 8 H LYS 8 -1.258 0.157 7.724 53 HA LYS 8 HA LYS 8 -0.101 -1.878 6.186 54 HB2 LYS 8 2HB LYS 8 -2.201 -1.996 8.345 55 HB3 LYS 8 1HB LYS 8 -1.676 -3.428 7.489 56 HG2 LYS 8 2HG LYS 8 -0.476 -3.338 9.544 57 HG3 LYS 8 1HG LYS 8 0.656 -2.976 8.252 58 HD2 LYS 8 2HD LYS 8 1.106 -1.486 10.079 59 HD3 LYS 8 1HD LYS 8 0.362 -0.544 8.792 60 HE2 LYS 8 2HE LYS 8 -0.569 0.084 10.950 61 HE3 LYS 8 1HE LYS 8 -1.796 -0.680 9.954 62 HZ1 LYS 8 1HZ LYS 8 -1.488 -2.738 11.216 63 HZ2 LYS 8 2HZ LYS 8 -1.893 -1.454 12.207 64 HZ3 LYS 8 3HZ LYS 8 -0.316 -1.993 12.181 65 H CYS 9 H CYS 9 -0.879 -3.319 4.742 66 HA CYS 9 HA CYS 9 -3.358 -2.444 3.433 67 HB2 CYS 9 2HB CYS 9 -2.304 -3.202 1.347 68 HB3 CYS 9 1HB CYS 9 -1.429 -1.880 2.119 69 H ILE 10 H ILE 10 -4.326 -4.122 2.059 70 HA ILE 10 HA ILE 10 -4.071 -6.795 3.196 71 HB ILE 10 HB ILE 10 -6.350 -5.567 1.565 72 HG12 ILE 10 2HG1 ILE 10 -7.745 -6.065 3.646 73 HG13 ILE 10 1HG1 ILE 10 -6.230 -6.359 4.485 74 HG21 ILE 10 1HG2 ILE 10 -6.136 -8.336 2.710 75 HG22 ILE 10 2HG2 ILE 10 -6.106 -7.897 1.002 76 HG23 ILE 10 3HG2 ILE 10 -7.575 -7.659 1.949 77 HD11 ILE 10 1HD1 ILE 10 -7.054 -3.749 3.226 78 HD12 ILE 10 2HD1 ILE 10 -5.575 -4.048 4.136 79 HD13 ILE 10 3HD1 ILE 10 -7.141 -4.138 4.943 80 HA PRO 11 HA PRO 11 -1.713 -7.121 -0.610 81 HB2 PRO 11 2HB PRO 11 -1.132 -9.799 -0.409 82 HB3 PRO 11 1HB PRO 11 -0.244 -8.522 0.431 83 HG2 PRO 11 2HG PRO 11 -2.419 -10.305 1.440 84 HG3 PRO 11 1HG PRO 11 -0.926 -9.792 2.249 85 HD2 PRO 11 2HD PRO 11 -3.304 -8.684 2.805 86 HD3 PRO 11 1HD PRO 11 -1.807 -7.731 2.826 87 H ASP 12 H ASP 12 -4.487 -9.057 0.121 88 HA ASP 12 HA ASP 12 -4.653 -10.151 -2.576 89 HB2 ASP 12 2HB ASP 12 -5.295 -11.592 -0.722 90 HB3 ASP 12 1HB ASP 12 -6.504 -10.428 -0.200 91 H ASN 13 H ASN 13 -5.662 -7.321 -1.013 92 HA ASN 13 HA ASN 13 -6.884 -6.310 -3.272 93 HB2 ASN 13 2HB ASN 13 -9.234 -5.925 -2.454 94 HB3 ASN 13 1HB ASN 13 -8.881 -7.613 -2.758 95 HD21 ASN 13 1HD2 ASN 13 -8.840 -9.053 -0.986 96 HD22 ASN 13 2HD2 ASN 13 -9.506 -8.602 0.540 97 H ASP 14 H ASP 14 -5.292 -4.911 -2.863 98 HA ASP 14 HA ASP 14 -5.419 -3.393 -0.441 99 HB2 ASP 14 2HB ASP 14 -3.358 -2.301 -1.215 100 HB3 ASP 14 1HB ASP 14 -3.250 -4.058 -1.198 101 H LYS 15 H LYS 15 -6.368 -1.623 -0.185 102 HA LYS 15 HA LYS 15 -7.325 -0.203 -2.561 103 HB2 LYS 15 2HB LYS 15 -8.633 -0.306 0.167 104 HB3 LYS 15 1HB LYS 15 -9.292 0.440 -1.283 105 HG2 LYS 15 2HG LYS 15 -9.480 -1.741 -2.346 106 HG3 LYS 15 1HG LYS 15 -8.757 -2.508 -0.935 107 HD2 LYS 15 2HD LYS 15 -10.672 -1.600 0.412 108 HD3 LYS 15 1HD LYS 15 -11.411 -1.089 -1.106 109 HE2 LYS 15 2HE LYS 15 -10.683 -3.927 -0.352 110 HE3 LYS 15 1HE LYS 15 -12.305 -3.249 -0.369 111 HZ1 LYS 15 1HZ LYS 15 -10.536 -3.565 -2.727 112 HZ2 LYS 15 2HZ LYS 15 -12.098 -2.944 -2.758 113 HZ3 LYS 15 3HZ LYS 15 -11.845 -4.551 -2.335 114 H CYS 16 H CYS 16 -5.540 1.086 -2.665 115 HA CYS 16 HA CYS 16 -5.417 3.227 -0.758 116 HB2 CYS 16 2HB CYS 16 -3.015 1.567 -1.665 117 HB3 CYS 16 1HB CYS 16 -2.891 3.119 -0.856 118 H CYS 17 H CYS 17 -3.814 4.924 -1.911 119 HA CYS 17 HA CYS 17 -5.072 5.534 -4.361 120 HB2 CYS 17 2HB CYS 17 -2.583 6.775 -3.181 121 HB3 CYS 17 1HB CYS 17 -3.603 7.473 -4.432 122 H ARG 18 H ARG 18 -4.633 3.691 -5.630 123 HA ARG 18 HA ARG 18 -2.025 2.994 -6.500 124 HB2 ARG 18 2HB ARG 18 -4.007 1.475 -6.641 125 HB3 ARG 18 1HB ARG 18 -4.692 2.516 -7.876 126 HG2 ARG 18 2HG ARG 18 -2.733 2.009 -9.318 127 HG3 ARG 18 1HG ARG 18 -2.170 0.884 -8.083 128 HD2 ARG 18 2HD ARG 18 -3.327 -0.297 -9.852 129 HD3 ARG 18 1HD ARG 18 -4.234 -0.417 -8.343 130 HE ARG 18 HE ARG 18 -5.459 1.625 -9.402 131 HH11 ARG 18 1HH1 ARG 18 -4.404 -1.308 -11.090 132 HH12 ARG 18 2HH1 ARG 18 -5.640 -1.259 -12.242 133 HH21 ARG 18 1HH2 ARG 18 -7.168 1.669 -10.956 134 HH22 ARG 18 2HH2 ARG 18 -7.267 0.456 -12.159 135 HA PRO 19 HA PRO 19 -0.799 2.557 -7.993 136 HB2 PRO 19 2HB PRO 19 1.082 3.039 -9.819 137 HB3 PRO 19 1HB PRO 19 -0.509 2.426 -10.281 138 HG2 PRO 19 2HG PRO 19 0.658 5.093 -10.696 139 HG3 PRO 19 1HG PRO 19 -0.681 4.314 -11.551 140 HD2 PRO 19 2HD PRO 19 -0.772 6.222 -9.360 141 HD3 PRO 19 1HD PRO 19 -2.122 5.585 -10.322 142 H ASN 20 H ASN 20 -0.590 5.516 -6.886 143 HA ASN 20 HA ASN 20 2.245 5.923 -6.575 144 HB2 ASN 20 2HB ASN 20 0.529 7.775 -6.565 145 HB3 ASN 20 1HB ASN 20 0.015 7.192 -4.990 146 HD21 ASN 20 1HD2 ASN 20 2.487 8.809 -6.746 147 HD22 ASN 20 2HD2 ASN 20 3.399 9.355 -5.379 148 H LEU 21 H LEU 21 -0.366 4.781 -4.556 149 HA LEU 21 HA LEU 21 1.606 3.789 -2.621 150 HB2 LEU 21 2HB LEU 21 -1.285 4.561 -2.065 151 HB3 LEU 21 1HB LEU 21 -0.046 4.064 -0.919 152 HG LEU 21 HG LEU 21 0.259 6.579 -2.515 153 HD11 LEU 21 1HD1 LEU 21 -1.767 6.772 -1.154 154 HD12 LEU 21 2HD1 LEU 21 -0.465 7.765 -0.500 155 HD13 LEU 21 3HD1 LEU 21 -0.872 6.235 0.261 156 HD21 LEU 21 1HD2 LEU 21 2.268 5.602 -1.610 157 HD22 LEU 21 2HD2 LEU 21 1.524 5.503 -0.015 158 HD23 LEU 21 3HD2 LEU 21 1.848 7.075 -0.743 159 H VAL 22 H VAL 22 1.706 1.682 -2.656 160 HA VAL 22 HA VAL 22 -0.685 0.132 -3.324 161 HB VAL 22 HB VAL 22 0.760 0.482 -5.352 162 HG11 VAL 22 1HG1 VAL 22 2.939 0.445 -4.386 163 HG12 VAL 22 2HG1 VAL 22 2.819 -0.837 -5.593 164 HG13 VAL 22 3HG1 VAL 22 2.728 -1.228 -3.874 165 HG21 VAL 22 1HG2 VAL 22 -0.800 -1.373 -5.271 166 HG22 VAL 22 2HG2 VAL 22 0.407 -2.383 -4.474 167 HG23 VAL 22 3HG2 VAL 22 0.662 -1.843 -6.133 168 H CYS 23 H CYS 23 -0.541 -2.104 -2.605 169 HA CYS 23 HA CYS 23 0.535 -2.260 -0.000 170 HB2 CYS 23 2HB CYS 23 -1.517 -3.341 -0.626 171 HB3 CYS 23 1HB CYS 23 -0.663 -4.389 -1.755 172 H SER 24 H SER 24 2.631 -2.552 0.419 173 HA SER 24 HA SER 24 4.322 -4.115 -1.255 174 HB2 SER 24 2HB SER 24 5.190 -2.297 0.199 175 HB3 SER 24 1HB SER 24 4.629 -3.185 1.614 176 HG SER 24 HG SER 24 6.955 -3.358 0.589 177 H ARG 25 H ARG 25 4.005 -6.254 -1.327 178 HA ARG 25 HA ARG 25 2.361 -7.615 0.541 179 HB2 ARG 25 2HB ARG 25 4.153 -8.651 -1.644 180 HB3 ARG 25 1HB ARG 25 3.317 -9.728 -0.545 181 HG2 ARG 25 2HG ARG 25 2.111 -9.562 -2.609 182 HG3 ARG 25 1HG ARG 25 1.176 -8.816 -1.322 183 HD2 ARG 25 2HD ARG 25 1.806 -6.617 -2.099 184 HD3 ARG 25 1HD ARG 25 2.882 -7.324 -3.305 185 HE ARG 25 HE ARG 25 0.467 -8.442 -3.788 186 HH11 ARG 25 1HH1 ARG 25 1.510 -5.055 -3.597 187 HH12 ARG 25 2HH1 ARG 25 0.526 -4.552 -4.889 188 HH21 ARG 25 1HH2 ARG 25 -0.881 -7.733 -5.474 189 HH22 ARG 25 2HH2 ARG 25 -0.918 -6.102 -5.958 190 H LEU 26 H LEU 26 5.797 -7.318 0.184 191 HA LEU 26 HA LEU 26 6.444 -9.187 2.209 192 HB2 LEU 26 2HB LEU 26 8.037 -8.653 0.484 193 HB3 LEU 26 1HB LEU 26 8.062 -6.973 0.964 194 HG LEU 26 HG LEU 26 9.076 -7.646 3.126 195 HD11 LEU 26 1HD1 LEU 26 9.229 -10.374 1.862 196 HD12 LEU 26 2HD1 LEU 26 8.252 -9.920 3.259 197 HD13 LEU 26 3HD1 LEU 26 10.008 -9.889 3.365 198 HD21 LEU 26 1HD2 LEU 26 11.298 -8.133 2.226 199 HD22 LEU 26 2HD2 LEU 26 10.476 -6.884 1.289 200 HD23 LEU 26 3HD2 LEU 26 10.576 -8.531 0.667 201 H HIS 27 H HIS 27 6.188 -5.637 2.192 202 HA HIS 27 HA HIS 27 7.027 -5.522 4.955 203 HB2 HIS 27 2HB HIS 27 6.183 -3.331 3.052 204 HB3 HIS 27 1HB HIS 27 6.659 -3.042 4.716 205 HD1 HIS 27 1HD HIS 27 8.893 -1.899 4.496 206 HD2 HIS 27 2HD HIS 27 8.569 -5.205 2.007 207 HE1 HIS 27 1HE HIS 27 11.134 -2.135 3.362 208 H ARG 28 H ARG 28 4.049 -5.693 3.278 209 HA ARG 28 HA ARG 28 1.962 -5.996 3.960 210 HB2 ARG 28 2HB ARG 28 3.150 -5.873 6.715 211 HB3 ARG 28 1HB ARG 28 1.416 -5.952 6.484 212 HG2 ARG 28 2HG ARG 28 3.408 -7.993 5.500 213 HG3 ARG 28 1HG ARG 28 2.420 -8.143 6.953 214 HD2 ARG 28 2HD ARG 28 1.476 -8.052 4.082 215 HD3 ARG 28 1HD ARG 28 1.349 -9.390 5.219 216 HE ARG 28 HE ARG 28 -0.018 -6.882 5.849 217 HH11 ARG 28 1HH1 ARG 28 -0.326 -10.325 5.030 218 HH12 ARG 28 2HH1 ARG 28 -2.016 -10.344 5.247 219 HH21 ARG 28 1HH2 ARG 28 -2.298 -6.928 6.064 220 HH22 ARG 28 2HH2 ARG 28 -3.167 -8.376 5.869 221 H TRP 29 H TRP 29 3.261 -3.267 3.604 222 HA TRP 29 HA TRP 29 0.831 -1.905 4.393 223 HB2 TRP 29 2HB TRP 29 1.984 0.117 5.167 224 HB3 TRP 29 1HB TRP 29 2.385 -1.272 6.154 225 HD1 TRP 29 HD TRP 29 4.005 0.695 3.192 226 HE1 TRP 29 1HE TRP 29 6.542 0.817 3.625 227 HE3 TRP 29 3HE TRP 29 4.227 -2.064 7.488 228 HZ2 TRP 29 2HZ TRP 29 8.379 -0.114 5.548 229 HZ3 TRP 29 3HZ TRP 29 6.417 -2.392 8.563 230 HH2 TRP 29 HH TRP 29 8.444 -1.437 7.609 231 H CYS 30 H CYS 30 0.352 0.016 3.287 232 HA CYS 30 HA CYS 30 0.999 -0.120 0.513 233 HB2 CYS 30 2HB CYS 30 -0.718 1.637 2.198 234 HB3 CYS 30 1HB CYS 30 -0.409 2.126 0.549 235 H LYS 31 H LYS 31 2.883 0.426 -0.096 236 HA LYS 31 HA LYS 31 4.394 2.530 1.249 237 HB2 LYS 31 2HB LYS 31 6.312 1.590 0.023 238 HB3 LYS 31 1HB LYS 31 5.469 0.368 0.955 239 HG2 LYS 31 2HG LYS 31 4.429 -0.497 -1.023 240 HG3 LYS 31 1HG LYS 31 5.090 0.822 -1.990 241 HD2 LYS 31 2HD LYS 31 7.337 0.045 -1.581 242 HD3 LYS 31 1HD LYS 31 6.736 -1.211 -0.500 243 HE2 LYS 31 2HE LYS 31 5.516 -2.217 -2.364 244 HE3 LYS 31 1HE LYS 31 6.133 -0.966 -3.442 245 HZ1 LYS 31 1HZ LYS 31 8.378 -1.786 -2.996 246 HZ2 LYS 31 2HZ LYS 31 7.406 -2.971 -3.659 247 HZ3 LYS 31 3HZ LYS 31 7.768 -3.004 -2.016 248 H TYR 32 H TYR 32 5.806 3.840 -0.245 249 HA TYR 32 HA TYR 32 4.187 5.041 -2.349 250 HB2 TYR 32 2HB TYR 32 6.729 5.903 -0.952 251 HB3 TYR 32 1HB TYR 32 6.076 6.738 -2.350 252 HD1 TYR 32 1HD TYR 32 5.234 5.739 1.136 253 HD2 TYR 32 2HD TYR 32 4.503 8.420 -2.081 254 HE1 TYR 32 1HE TYR 32 3.849 7.115 2.604 255 HE2 TYR 32 2HE TYR 32 3.118 9.810 -0.622 256 HH TYR 32 HH TYR 32 1.824 9.591 1.455 257 H VAL 33 H VAL 33 4.566 4.603 -4.416 258 HA VAL 33 HA VAL 33 7.228 3.794 -5.202 259 HB VAL 33 HB VAL 33 6.169 2.205 -6.880 260 HG11 VAL 33 1HG1 VAL 33 5.912 0.360 -5.290 261 HG12 VAL 33 2HG1 VAL 33 5.823 1.520 -3.963 262 HG13 VAL 33 3HG1 VAL 33 7.310 1.362 -4.897 263 HG21 VAL 33 1HG2 VAL 33 3.887 3.042 -6.754 264 HG22 VAL 33 2HG2 VAL 33 3.786 2.535 -5.070 265 HG23 VAL 33 3HG2 VAL 33 3.946 1.326 -6.344 266 H PHE 34 H PHE 34 7.442 3.928 -7.534 267 HA PHE 34 HA PHE 34 5.749 5.938 -8.774 268 HB2 PHE 34 2HB PHE 34 7.738 7.122 -7.832 269 HB3 PHE 34 1HB PHE 34 8.777 6.046 -8.758 270 HD1 PHE 34 1HD PHE 34 9.145 6.388 -11.092 271 HD2 PHE 34 2HD PHE 34 6.340 8.784 -8.983 272 HE1 PHE 34 1HE PHE 34 9.026 7.916 -13.004 273 HE2 PHE 34 2HE PHE 34 6.213 10.320 -10.897 274 HZ PHE 34 HZ PHE 34 7.558 9.886 -12.912 Start of MODEL 14 1 H1 ASP 1 1HT ASP 1 -5.867 14.834 2.170 2 H2 ASP 1 2HT ASP 1 -7.081 13.673 1.849 3 H3 ASP 1 3HT ASP 1 -6.293 14.425 0.591 4 HA ASP 1 HA ASP 1 -4.260 13.372 1.041 5 HB2 ASP 1 2HB ASP 1 -5.753 12.089 3.349 6 HB3 ASP 1 1HB ASP 1 -4.213 11.514 2.738 7 H CYS 2 H CYS 2 -4.008 10.815 0.919 8 HA CYS 2 HA CYS 2 -6.293 9.671 -0.459 9 HB2 CYS 2 2HB CYS 2 -4.724 10.577 -2.163 10 HB3 CYS 2 1HB CYS 2 -3.405 9.696 -1.412 11 H LEU 3 H LEU 3 -6.206 7.303 -0.318 12 HA LEU 3 HA LEU 3 -5.215 6.492 2.203 13 HB2 LEU 3 2HB LEU 3 -6.404 4.877 -0.015 14 HB3 LEU 3 1HB LEU 3 -6.021 4.237 1.568 15 HG LEU 3 HG LEU 3 -8.057 6.355 0.940 16 HD11 LEU 3 1HD1 LEU 3 -8.733 4.116 0.261 17 HD12 LEU 3 2HD1 LEU 3 -9.673 4.664 1.650 18 HD13 LEU 3 3HD1 LEU 3 -8.363 3.505 1.873 19 HD21 LEU 3 1HD2 LEU 3 -8.696 6.153 3.315 20 HD22 LEU 3 2HD2 LEU 3 -7.070 6.790 3.115 21 HD23 LEU 3 3HD2 LEU 3 -7.304 5.104 3.587 22 H GLY 4 H GLY 4 -3.557 5.427 2.756 23 HA2 GLY 4 2HA GLY 4 -1.932 3.645 1.915 24 HA3 GLY 4 1HA GLY 4 -1.487 4.902 0.760 25 H ALA 5 H ALA 5 0.603 5.149 1.573 26 HA ALA 5 HA ALA 5 2.200 6.112 2.769 27 HB1 ALA 5 1HB ALA 5 0.043 7.614 4.264 28 HB2 ALA 5 2HB ALA 5 0.741 8.114 2.724 29 HB3 ALA 5 3HB ALA 5 1.752 8.044 4.167 30 H PHE 6 H PHE 6 2.154 3.768 3.480 31 HA PHE 6 HA PHE 6 3.018 2.373 4.987 32 HB2 PHE 6 2HB PHE 6 3.073 4.743 6.863 33 HB3 PHE 6 1HB PHE 6 3.793 3.177 7.213 34 HD1 PHE 6 1HD PHE 6 5.636 2.349 5.669 35 HD2 PHE 6 2HD PHE 6 4.259 6.379 5.676 36 HE1 PHE 6 1HE PHE 6 7.716 3.067 4.583 37 HE2 PHE 6 2HE PHE 6 6.339 7.093 4.587 38 HZ PHE 6 HZ PHE 6 8.067 5.443 4.039 39 H ARG 7 H ARG 7 0.064 3.137 4.896 40 HA ARG 7 HA ARG 7 -0.875 2.208 7.462 41 HB2 ARG 7 2HB ARG 7 -2.381 2.567 4.853 42 HB3 ARG 7 1HB ARG 7 -3.128 2.158 6.386 43 HG2 ARG 7 2HG ARG 7 -1.675 4.722 5.743 44 HG3 ARG 7 1HG ARG 7 -3.419 4.513 5.852 45 HD2 ARG 7 2HD ARG 7 -1.447 4.147 8.112 46 HD3 ARG 7 1HD ARG 7 -2.492 5.540 7.866 47 HE ARG 7 HE ARG 7 -4.210 3.448 7.936 48 HH11 ARG 7 1HH1 ARG 7 -1.772 4.714 10.188 49 HH12 ARG 7 2HH1 ARG 7 -2.555 4.092 11.567 50 HH21 ARG 7 1HH2 ARG 7 -5.249 2.603 9.860 51 HH22 ARG 7 2HH2 ARG 7 -4.540 2.909 11.382 52 H LYS 8 H LYS 8 -1.278 0.175 8.038 53 HA LYS 8 HA LYS 8 -0.320 -1.940 6.401 54 HB2 LYS 8 2HB LYS 8 -1.801 -2.005 9.038 55 HB3 LYS 8 1HB LYS 8 -1.060 -3.406 8.276 56 HG2 LYS 8 2HG LYS 8 1.133 -2.315 8.422 57 HG3 LYS 8 1HG LYS 8 0.381 -0.934 9.219 58 HD2 LYS 8 2HD LYS 8 -0.329 -2.394 11.053 59 HD3 LYS 8 1HD LYS 8 0.429 -3.771 10.251 60 HE2 LYS 8 2HE LYS 8 1.845 -1.289 11.244 61 HE3 LYS 8 1HE LYS 8 1.872 -2.870 12.018 62 HZ1 LYS 8 1HZ LYS 8 2.969 -3.759 10.025 63 HZ2 LYS 8 2HZ LYS 8 3.861 -2.519 10.735 64 HZ3 LYS 8 3HZ LYS 8 2.979 -2.203 9.344 65 H CYS 9 H CYS 9 -1.411 -3.458 5.279 66 HA CYS 9 HA CYS 9 -4.301 -3.181 4.968 67 HB2 CYS 9 2HB CYS 9 -3.720 -3.025 2.461 68 HB3 CYS 9 1HB CYS 9 -3.598 -1.574 3.466 69 H ILE 10 H ILE 10 -5.034 -4.773 3.275 70 HA ILE 10 HA ILE 10 -3.651 -7.304 3.526 71 HB ILE 10 HB ILE 10 -6.274 -6.592 2.146 72 HG12 ILE 10 2HG1 ILE 10 -5.838 -7.888 4.849 73 HG13 ILE 10 1HG1 ILE 10 -6.296 -6.208 4.609 74 HG21 ILE 10 1HG2 ILE 10 -5.115 -9.288 2.865 75 HG22 ILE 10 2HG2 ILE 10 -5.276 -8.624 1.238 76 HG23 ILE 10 3HG2 ILE 10 -6.717 -9.011 2.180 77 HD11 ILE 10 1HD1 ILE 10 -7.915 -8.612 3.808 78 HD12 ILE 10 2HD1 ILE 10 -8.390 -6.926 3.599 79 HD13 ILE 10 3HD1 ILE 10 -8.196 -7.595 5.220 80 HA PRO 11 HA PRO 11 -1.625 -5.987 -0.267 81 HB2 PRO 11 2HB PRO 11 -0.113 -8.212 -0.628 82 HB3 PRO 11 1HB PRO 11 0.299 -6.916 0.507 83 HG2 PRO 11 2HG PRO 11 -0.988 -9.565 1.020 84 HG3 PRO 11 1HG PRO 11 0.243 -8.718 1.975 85 HD2 PRO 11 2HD PRO 11 -2.375 -8.754 2.650 86 HD3 PRO 11 1HD PRO 11 -1.317 -7.375 3.013 87 H ASP 12 H ASP 12 -3.757 -8.550 0.027 88 HA ASP 12 HA ASP 12 -3.569 -9.224 -2.812 89 HB2 ASP 12 2HB ASP 12 -5.045 -10.583 -0.576 90 HB3 ASP 12 1HB ASP 12 -5.307 -10.996 -2.269 91 H ASN 13 H ASN 13 -5.150 -7.026 -1.025 92 HA ASN 13 HA ASN 13 -6.775 -6.203 -3.136 93 HB2 ASN 13 2HB ASN 13 -8.259 -8.074 -2.395 94 HB3 ASN 13 1HB ASN 13 -8.286 -7.399 -0.776 95 HD21 ASN 13 1HD2 ASN 13 -9.348 -6.958 -4.071 96 HD22 ASN 13 2HD2 ASN 13 -10.599 -5.824 -3.710 97 H ASP 14 H ASP 14 -5.315 -4.529 -2.526 98 HA ASP 14 HA ASP 14 -5.896 -3.237 0.000 99 HB2 ASP 14 2HB ASP 14 -3.995 -1.860 -0.335 100 HB3 ASP 14 1HB ASP 14 -3.549 -3.531 -0.642 101 H LYS 15 H LYS 15 -6.433 -1.154 0.212 102 HA LYS 15 HA LYS 15 -7.444 0.138 -2.172 103 HB2 LYS 15 2HB LYS 15 -9.159 1.206 -0.638 104 HB3 LYS 15 1HB LYS 15 -9.419 -0.480 -1.041 105 HG2 LYS 15 2HG LYS 15 -8.415 -1.097 1.162 106 HG3 LYS 15 1HG LYS 15 -8.329 0.621 1.553 107 HD2 LYS 15 2HD LYS 15 -10.863 -0.870 0.868 108 HD3 LYS 15 1HD LYS 15 -10.323 -0.495 2.504 109 HE2 LYS 15 2HE LYS 15 -10.470 1.858 2.057 110 HE3 LYS 15 1HE LYS 15 -10.845 1.555 0.367 111 HZ1 LYS 15 1HZ LYS 15 -12.572 0.698 2.628 112 HZ2 LYS 15 2HZ LYS 15 -12.916 0.592 0.976 113 HZ3 LYS 15 3HZ LYS 15 -12.805 2.091 1.721 114 H CYS 16 H CYS 16 -5.569 1.236 -2.475 115 HA CYS 16 HA CYS 16 -5.209 3.559 -0.894 116 HB2 CYS 16 2HB CYS 16 -3.050 1.520 -1.574 117 HB3 CYS 16 1HB CYS 16 -2.705 3.165 -1.051 118 H CYS 17 H CYS 17 -3.794 5.042 -2.318 119 HA CYS 17 HA CYS 17 -5.015 5.721 -4.616 120 HB2 CYS 17 2HB CYS 17 -2.024 5.915 -4.472 121 HB3 CYS 17 1HB CYS 17 -3.150 7.041 -5.215 122 H ARG 18 H ARG 18 -2.109 3.650 -4.615 123 HA ARG 18 HA ARG 18 -1.077 2.392 -6.056 124 HB2 ARG 18 2HB ARG 18 -2.937 0.921 -5.566 125 HB3 ARG 18 1HB ARG 18 -3.874 1.606 -6.888 126 HG2 ARG 18 2HG ARG 18 -2.303 0.724 -8.498 127 HG3 ARG 18 1HG ARG 18 -1.270 0.133 -7.204 128 HD2 ARG 18 2HD ARG 18 -3.032 -1.387 -6.482 129 HD3 ARG 18 1HD ARG 18 -4.082 -0.803 -7.776 130 HE ARG 18 HE ARG 18 -1.770 -1.565 -9.002 131 HH11 ARG 18 1HH1 ARG 18 -4.143 -3.254 -6.996 132 HH12 ARG 18 2HH1 ARG 18 -3.887 -4.763 -7.750 133 HH21 ARG 18 1HH2 ARG 18 -1.427 -3.624 -9.991 134 HH22 ARG 18 2HH2 ARG 18 -2.331 -4.976 -9.498 135 HA PRO 19 HA PRO 19 0.291 1.617 -7.179 136 HB2 PRO 19 2HB PRO 19 2.484 2.547 -8.744 137 HB3 PRO 19 1HB PRO 19 1.613 1.025 -8.911 138 HG2 PRO 19 2HG PRO 19 1.586 3.048 -10.790 139 HG3 PRO 19 1HG PRO 19 0.340 1.801 -10.627 140 HD2 PRO 19 2HD PRO 19 0.340 4.621 -9.615 141 HD3 PRO 19 1HD PRO 19 -0.981 3.695 -10.368 142 H ASN 20 H ASN 20 0.206 4.961 -7.391 143 HA ASN 20 HA ASN 20 2.504 6.057 -6.368 144 HB2 ASN 20 2HB ASN 20 -0.285 6.790 -5.440 145 HB3 ASN 20 1HB ASN 20 1.142 7.814 -5.365 146 HD21 ASN 20 1HD2 ASN 20 1.853 8.817 -7.223 147 HD22 ASN 20 2HD2 ASN 20 0.924 8.842 -8.679 148 H LEU 21 H LEU 21 -0.179 4.832 -4.479 149 HA LEU 21 HA LEU 21 1.672 4.009 -2.350 150 HB2 LEU 21 2HB LEU 21 -1.216 4.817 -1.835 151 HB3 LEU 21 1HB LEU 21 0.072 4.472 -0.704 152 HG LEU 21 HG LEU 21 0.149 6.936 -2.439 153 HD11 LEU 21 1HD1 LEU 21 -0.519 6.705 0.492 154 HD12 LEU 21 2HD1 LEU 21 -1.675 7.071 -0.790 155 HD13 LEU 21 3HD1 LEU 21 -0.363 8.195 -0.438 156 HD21 LEU 21 1HD2 LEU 21 1.803 6.018 -0.111 157 HD22 LEU 21 2HD2 LEU 21 1.935 7.577 -0.923 158 HD23 LEU 21 3HD2 LEU 21 2.310 6.093 -1.798 159 H VAL 22 H VAL 22 1.584 1.846 -2.333 160 HA VAL 22 HA VAL 22 -0.975 0.556 -2.763 161 HB VAL 22 HB VAL 22 0.058 0.729 -5.033 162 HG11 VAL 22 1HG1 VAL 22 1.996 -0.628 -5.625 163 HG12 VAL 22 2HG1 VAL 22 2.228 -1.014 -3.919 164 HG13 VAL 22 3HG1 VAL 22 2.380 0.653 -4.477 165 HG21 VAL 22 1HG2 VAL 22 -0.158 -2.085 -3.985 166 HG22 VAL 22 2HG2 VAL 22 -0.210 -1.627 -5.689 167 HG23 VAL 22 3HG2 VAL 22 -1.484 -1.092 -4.591 168 H CYS 23 H CYS 23 -1.055 -1.536 -1.950 169 HA CYS 23 HA CYS 23 0.576 -1.872 0.373 170 HB2 CYS 23 2HB CYS 23 -1.894 -2.431 0.005 171 HB3 CYS 23 1HB CYS 23 -1.305 -3.904 -0.757 172 H SER 24 H SER 24 2.611 -2.444 0.038 173 HA SER 24 HA SER 24 3.514 -4.184 -1.989 174 HB2 SER 24 2HB SER 24 4.991 -2.577 -0.862 175 HB3 SER 24 1HB SER 24 4.680 -3.378 0.664 176 HG SER 24 HG SER 24 6.098 -4.417 -1.565 177 H ARG 25 H ARG 25 3.564 -6.395 -1.980 178 HA ARG 25 HA ARG 25 2.268 -7.813 0.155 179 HB2 ARG 25 2HB ARG 25 2.780 -9.862 -1.137 180 HB3 ARG 25 1HB ARG 25 1.990 -8.634 -2.114 181 HG2 ARG 25 2HG ARG 25 4.127 -8.019 -3.084 182 HG3 ARG 25 1HG ARG 25 4.939 -9.241 -2.098 183 HD2 ARG 25 2HD ARG 25 2.774 -9.771 -4.103 184 HD3 ARG 25 1HD ARG 25 4.500 -9.941 -4.434 185 HE ARG 25 HE ARG 25 4.185 -11.545 -2.333 186 HH11 ARG 25 1HH1 ARG 25 2.197 -11.225 -5.250 187 HH12 ARG 25 2HH1 ARG 25 1.800 -12.872 -5.342 188 HH21 ARG 25 1HH2 ARG 25 3.679 -13.802 -2.455 189 HH22 ARG 25 2HH2 ARG 25 2.711 -14.402 -3.724 190 H LEU 26 H LEU 26 5.465 -6.967 -0.632 191 HA LEU 26 HA LEU 26 6.703 -8.947 1.032 192 HB2 LEU 26 2HB LEU 26 7.821 -8.040 -0.961 193 HB3 LEU 26 1HB LEU 26 7.832 -6.449 -0.231 194 HG LEU 26 HG LEU 26 9.324 -7.319 1.553 195 HD11 LEU 26 1HD1 LEU 26 9.366 -9.812 -0.142 196 HD12 LEU 26 2HD1 LEU 26 8.719 -9.668 1.493 197 HD13 LEU 26 3HD1 LEU 26 10.447 -9.475 1.207 198 HD21 LEU 26 1HD2 LEU 26 10.323 -7.707 -1.265 199 HD22 LEU 26 2HD2 LEU 26 11.324 -7.426 0.160 200 HD23 LEU 26 3HD2 LEU 26 10.222 -6.172 -0.405 201 H HIS 27 H HIS 27 5.943 -5.501 1.257 202 HA HIS 27 HA HIS 27 7.063 -5.399 3.934 203 HB2 HIS 27 2HB HIS 27 5.722 -3.210 2.311 204 HB3 HIS 27 1HB HIS 27 6.446 -2.985 3.887 205 HD1 HIS 27 1HD HIS 27 8.890 -2.303 3.882 206 HD2 HIS 27 2HD HIS 27 7.712 -3.986 0.268 207 HE1 HIS 27 1HE HIS 27 10.814 -1.966 2.305 208 H ARG 28 H ARG 28 3.917 -5.579 2.450 209 HA ARG 28 HA ARG 28 1.890 -5.969 3.148 210 HB2 ARG 28 2HB ARG 28 3.112 -6.485 5.864 211 HB3 ARG 28 1HB ARG 28 1.401 -6.691 5.518 212 HG2 ARG 28 2HG ARG 28 2.062 -8.319 3.724 213 HG3 ARG 28 1HG ARG 28 3.709 -8.218 4.345 214 HD2 ARG 28 2HD ARG 28 1.289 -9.036 5.942 215 HD3 ARG 28 1HD ARG 28 2.454 -10.152 5.243 216 HE ARG 28 HE ARG 28 4.086 -8.799 6.720 217 HH11 ARG 28 1HH1 ARG 28 0.729 -9.568 7.638 218 HH12 ARG 28 2HH1 ARG 28 1.095 -9.778 9.282 219 HH21 ARG 28 1HH2 ARG 28 4.551 -9.136 9.015 220 HH22 ARG 28 2HH2 ARG 28 3.271 -9.521 10.079 221 H TRP 29 H TRP 29 3.019 -3.324 3.156 222 HA TRP 29 HA TRP 29 0.681 -2.091 4.299 223 HB2 TRP 29 2HB TRP 29 1.938 -0.166 5.222 224 HB3 TRP 29 1HB TRP 29 2.316 -1.658 6.059 225 HD1 TRP 29 HD TRP 29 3.933 0.491 3.207 226 HE1 TRP 29 1HE TRP 29 6.501 0.473 3.591 227 HE3 TRP 29 3HE TRP 29 4.148 -2.606 7.243 228 HZ2 TRP 29 2HZ TRP 29 8.323 -0.683 5.352 229 HZ3 TRP 29 3HZ TRP 29 6.352 -3.120 8.223 230 HH2 TRP 29 HH TRP 29 8.389 -2.176 7.291 231 H CYS 30 H CYS 30 0.170 -0.072 3.340 232 HA CYS 30 HA CYS 30 0.853 0.045 0.561 233 HB2 CYS 30 2HB CYS 30 -0.740 1.873 2.326 234 HB3 CYS 30 1HB CYS 30 -0.472 2.210 0.626 235 H LYS 31 H LYS 31 2.797 0.518 0.098 236 HA LYS 31 HA LYS 31 4.100 2.690 1.540 237 HB2 LYS 31 2HB LYS 31 6.187 1.770 0.817 238 HB3 LYS 31 1HB LYS 31 5.229 0.482 1.496 239 HG2 LYS 31 2HG LYS 31 4.705 -0.338 -0.725 240 HG3 LYS 31 1HG LYS 31 5.595 1.005 -1.446 241 HD2 LYS 31 2HD LYS 31 6.790 -1.083 0.381 242 HD3 LYS 31 1HD LYS 31 6.911 -1.097 -1.373 243 HE2 LYS 31 2HE LYS 31 7.973 1.117 0.407 244 HE3 LYS 31 1HE LYS 31 8.937 -0.202 -0.210 245 HZ1 LYS 31 1HZ LYS 31 7.609 1.922 -1.860 246 HZ2 LYS 31 2HZ LYS 31 8.394 0.579 -2.485 247 HZ3 LYS 31 3HZ LYS 31 9.254 1.694 -1.609 248 H TYR 32 H TYR 32 5.652 3.921 0.136 249 HA TYR 32 HA TYR 32 4.208 5.045 -2.069 250 HB2 TYR 32 2HB TYR 32 6.881 5.693 -0.795 251 HB3 TYR 32 1HB TYR 32 6.232 6.558 -2.177 252 HD1 TYR 32 1HD TYR 32 4.808 8.365 -1.865 253 HD2 TYR 32 2HD TYR 32 5.474 5.699 1.378 254 HE1 TYR 32 1HE TYR 32 3.573 9.866 -0.383 255 HE2 TYR 32 2HE TYR 32 4.239 7.184 2.864 256 HH TYR 32 HH TYR 32 3.668 9.607 2.969 257 H VAL 33 H VAL 33 4.446 4.391 -4.065 258 HA VAL 33 HA VAL 33 6.955 3.091 -4.780 259 HB VAL 33 HB VAL 33 4.211 2.444 -5.916 260 HG11 VAL 33 1HG1 VAL 33 5.978 2.256 -7.597 261 HG12 VAL 33 2HG1 VAL 33 5.355 0.667 -7.154 262 HG13 VAL 33 3HG1 VAL 33 6.906 1.215 -6.516 263 HG21 VAL 33 1HG2 VAL 33 6.041 0.817 -4.158 264 HG22 VAL 33 2HG2 VAL 33 4.539 0.241 -4.879 265 HG23 VAL 33 3HG2 VAL 33 4.503 1.536 -3.680 266 H PHE 34 H PHE 34 7.964 4.672 -5.621 267 HA PHE 34 HA PHE 34 6.659 6.393 -7.545 268 HB2 PHE 34 2HB PHE 34 8.828 7.771 -7.185 269 HB3 PHE 34 1HB PHE 34 7.624 7.757 -5.908 270 HD1 PHE 34 1HD PHE 34 10.982 6.681 -6.886 271 HD2 PHE 34 2HD PHE 34 8.063 6.615 -3.797 272 HE1 PHE 34 1HE PHE 34 12.683 5.952 -5.304 273 HE2 PHE 34 2HE PHE 34 9.762 5.874 -2.198 274 HZ PHE 34 HZ PHE 34 12.082 5.537 -2.940 Start of MODEL 15 1 H1 ASP 1 1HT ASP 1 -1.454 14.229 2.781 2 H2 ASP 1 2HT ASP 1 -3.043 14.212 2.142 3 H3 ASP 1 3HT ASP 1 -1.732 14.011 1.130 4 HA ASP 1 HA ASP 1 -1.187 11.928 2.048 5 HB2 ASP 1 2HB ASP 1 -2.527 10.872 3.752 6 HB3 ASP 1 1HB ASP 1 -2.078 12.456 4.371 7 H CYS 2 H CYS 2 -2.677 9.933 1.721 8 HA CYS 2 HA CYS 2 -5.095 10.321 0.301 9 HB2 CYS 2 2HB CYS 2 -3.013 10.593 -1.362 10 HB3 CYS 2 1HB CYS 2 -2.899 8.848 -1.179 11 H LEU 3 H LEU 3 -5.556 7.792 -0.434 12 HA LEU 3 HA LEU 3 -5.514 6.288 1.988 13 HB2 LEU 3 2HB LEU 3 -5.958 5.236 -0.770 14 HB3 LEU 3 1HB LEU 3 -6.513 4.524 0.717 15 HG LEU 3 HG LEU 3 -7.553 7.075 -0.497 16 HD11 LEU 3 1HD1 LEU 3 -9.618 5.801 -0.818 17 HD12 LEU 3 2HD1 LEU 3 -8.810 4.353 -0.215 18 HD13 LEU 3 3HD1 LEU 3 -8.266 5.107 -1.713 19 HD21 LEU 3 1HD2 LEU 3 -9.233 7.006 1.278 20 HD22 LEU 3 2HD2 LEU 3 -7.605 7.168 1.940 21 HD23 LEU 3 3HD2 LEU 3 -8.430 5.609 1.993 22 H GLY 4 H GLY 4 -3.854 5.260 2.693 23 HA2 GLY 4 2HA GLY 4 -2.384 3.263 1.804 24 HA3 GLY 4 1HA GLY 4 -1.609 4.595 0.952 25 H ALA 5 H ALA 5 -0.640 6.242 2.130 26 HA ALA 5 HA ALA 5 0.751 7.106 3.687 27 HB1 ALA 5 1HB ALA 5 -1.362 7.779 4.660 28 HB2 ALA 5 2HB ALA 5 -0.175 7.355 5.927 29 HB3 ALA 5 3HB ALA 5 -1.458 6.234 5.517 30 H PHE 6 H PHE 6 1.337 4.275 3.122 31 HA PHE 6 HA PHE 6 2.674 2.675 3.846 32 HB2 PHE 6 2HB PHE 6 4.554 3.886 4.278 33 HB3 PHE 6 1HB PHE 6 3.601 5.196 4.908 34 HD1 PHE 6 1HD PHE 6 3.251 5.397 7.304 35 HD2 PHE 6 2HD PHE 6 5.784 2.417 5.641 36 HE1 PHE 6 1HE PHE 6 4.378 5.121 9.506 37 HE2 PHE 6 2HE PHE 6 6.895 2.115 7.793 38 HZ PHE 6 HZ PHE 6 6.197 3.474 9.748 39 H ARG 7 H ARG 7 0.027 2.789 4.800 40 HA ARG 7 HA ARG 7 0.120 1.643 7.509 41 HB2 ARG 7 2HB ARG 7 -2.268 2.274 5.758 42 HB3 ARG 7 1HB ARG 7 -2.333 1.736 7.423 43 HG2 ARG 7 2HG ARG 7 -1.123 4.340 6.506 44 HG3 ARG 7 1HG ARG 7 -2.765 4.162 7.113 45 HD2 ARG 7 2HD ARG 7 -1.364 5.003 8.867 46 HD3 ARG 7 1HD ARG 7 -1.810 3.345 9.259 47 HE ARG 7 HE ARG 7 0.676 3.486 7.905 48 HH11 ARG 7 1HH1 ARG 7 -0.778 4.113 11.076 49 HH12 ARG 7 2HH1 ARG 7 0.621 3.689 11.952 50 HH21 ARG 7 1HH2 ARG 7 2.633 2.957 9.141 51 HH22 ARG 7 2HH2 ARG 7 2.572 3.070 10.833 52 H LYS 8 H LYS 8 -0.820 -0.413 7.926 53 HA LYS 8 HA LYS 8 -0.006 -2.411 6.155 54 HB2 LYS 8 2HB LYS 8 -1.820 -2.562 8.545 55 HB3 LYS 8 1HB LYS 8 -1.235 -3.972 7.674 56 HG2 LYS 8 2HG LYS 8 1.079 -3.319 8.202 57 HG3 LYS 8 1HG LYS 8 0.461 -1.943 9.115 58 HD2 LYS 8 2HD LYS 8 -0.166 -4.836 9.709 59 HD3 LYS 8 1HD LYS 8 1.055 -3.884 10.546 60 HE2 LYS 8 2HE LYS 8 -0.677 -2.336 11.318 61 HE3 LYS 8 1HE LYS 8 -1.904 -3.263 10.460 62 HZ1 LYS 8 1HZ LYS 8 -1.356 -5.167 11.882 63 HZ2 LYS 8 2HZ LYS 8 -1.889 -3.846 12.771 64 HZ3 LYS 8 3HZ LYS 8 -0.255 -4.213 12.742 65 H CYS 9 H CYS 9 -0.964 -3.611 4.715 66 HA CYS 9 HA CYS 9 -3.775 -3.073 4.071 67 HB2 CYS 9 2HB CYS 9 -3.029 -3.191 1.682 68 HB3 CYS 9 1HB CYS 9 -2.486 -1.761 2.557 69 H ILE 10 H ILE 10 -4.766 -4.775 2.870 70 HA ILE 10 HA ILE 10 -3.593 -7.394 3.287 71 HB ILE 10 HB ILE 10 -6.239 -6.609 2.003 72 HG12 ILE 10 2HG1 ILE 10 -5.709 -7.581 4.825 73 HG13 ILE 10 1HG1 ILE 10 -6.095 -5.925 4.383 74 HG21 ILE 10 1HG2 ILE 10 -6.864 -8.971 2.382 75 HG22 ILE 10 2HG2 ILE 10 -5.248 -9.289 3.013 76 HG23 ILE 10 3HG2 ILE 10 -5.461 -8.830 1.322 77 HD11 ILE 10 1HD1 ILE 10 -8.032 -7.082 5.288 78 HD12 ILE 10 2HD1 ILE 10 -7.897 -8.313 4.030 79 HD13 ILE 10 3HD1 ILE 10 -8.292 -6.650 3.597 80 HA PRO 11 HA PRO 11 -1.311 -6.801 -0.491 81 HB2 PRO 11 2HB PRO 11 -1.484 -9.758 -0.664 82 HB3 PRO 11 1HB PRO 11 -0.073 -8.702 -0.756 83 HG2 PRO 11 2HG PRO 11 -0.668 -10.114 1.428 84 HG3 PRO 11 1HG PRO 11 0.095 -8.509 1.528 85 HD2 PRO 11 2HD PRO 11 -2.673 -9.361 2.164 86 HD3 PRO 11 1HD PRO 11 -1.717 -8.011 2.810 87 H ASP 12 H ASP 12 -4.168 -8.829 -0.591 88 HA ASP 12 HA ASP 12 -4.308 -8.149 -3.462 89 HB2 ASP 12 2HB ASP 12 -5.621 -10.136 -3.920 90 HB3 ASP 12 1HB ASP 12 -4.116 -10.568 -3.130 91 H ASN 13 H ASN 13 -5.622 -7.115 -0.720 92 HA ASN 13 HA ASN 13 -8.211 -6.547 -2.016 93 HB2 ASN 13 2HB ASN 13 -7.822 -7.303 0.893 94 HB3 ASN 13 1HB ASN 13 -9.313 -6.656 0.231 95 HD21 ASN 13 1HD2 ASN 13 -9.171 -8.170 -2.249 96 HD22 ASN 13 2HD2 ASN 13 -9.465 -9.812 -1.830 97 H ASP 14 H ASP 14 -5.588 -5.134 -1.473 98 HA ASP 14 HA ASP 14 -6.041 -3.166 0.512 99 HB2 ASP 14 2HB ASP 14 -3.944 -2.237 -0.148 100 HB3 ASP 14 1HB ASP 14 -3.803 -3.977 -0.299 101 H LYS 15 H LYS 15 -6.676 -1.116 0.361 102 HA LYS 15 HA LYS 15 -7.412 -0.112 -2.271 103 HB2 LYS 15 2HB LYS 15 -8.878 0.374 0.336 104 HB3 LYS 15 1HB LYS 15 -9.243 1.163 -1.189 105 HG2 LYS 15 2HG LYS 15 -9.434 -1.807 -0.696 106 HG3 LYS 15 1HG LYS 15 -10.794 -0.683 -0.681 107 HD2 LYS 15 2HD LYS 15 -10.428 -0.148 -3.013 108 HD3 LYS 15 1HD LYS 15 -8.975 -1.146 -3.048 109 HE2 LYS 15 2HE LYS 15 -11.756 -2.155 -2.497 110 HE3 LYS 15 1HE LYS 15 -10.935 -2.249 -4.049 111 HZ1 LYS 15 1HZ LYS 15 -10.749 -4.321 -2.848 112 HZ2 LYS 15 2HZ LYS 15 -10.064 -3.595 -1.526 113 HZ3 LYS 15 3HZ LYS 15 -9.223 -3.654 -2.997 114 H CYS 16 H CYS 16 -5.447 0.886 -2.520 115 HA CYS 16 HA CYS 16 -5.098 3.234 -0.863 116 HB2 CYS 16 2HB CYS 16 -2.904 1.330 -1.816 117 HB3 CYS 16 1HB CYS 16 -2.635 2.883 -1.042 118 H CYS 17 H CYS 17 -3.986 4.934 -2.039 119 HA CYS 17 HA CYS 17 -5.153 5.275 -4.583 120 HB2 CYS 17 2HB CYS 17 -2.995 6.921 -3.248 121 HB3 CYS 17 1HB CYS 17 -3.978 7.416 -4.623 122 H ARG 18 H ARG 18 -4.476 3.904 -6.068 123 HA ARG 18 HA ARG 18 -1.625 3.580 -6.489 124 HB2 ARG 18 2HB ARG 18 -2.531 1.702 -8.098 125 HB3 ARG 18 1HB ARG 18 -2.426 1.444 -6.365 126 HG2 ARG 18 2HG ARG 18 -4.840 2.090 -6.224 127 HG3 ARG 18 1HG ARG 18 -4.874 2.081 -7.993 128 HD2 ARG 18 2HD ARG 18 -4.430 -0.195 -8.096 129 HD3 ARG 18 1HD ARG 18 -3.865 -0.268 -6.432 130 HE ARG 18 HE ARG 18 -6.667 0.107 -7.248 131 HH11 ARG 18 1HH1 ARG 18 -4.290 -0.927 -4.837 132 HH12 ARG 18 2HH1 ARG 18 -5.388 -1.838 -3.927 133 HH21 ARG 18 1HH2 ARG 18 -8.180 -1.093 -5.964 134 HH22 ARG 18 2HH2 ARG 18 -7.637 -1.945 -4.568 135 HA PRO 19 HA PRO 19 -0.536 2.408 -8.186 136 HB2 PRO 19 2HB PRO 19 1.375 2.862 -9.942 137 HB3 PRO 19 1HB PRO 19 -0.195 2.263 -10.503 138 HG2 PRO 19 2HG PRO 19 0.871 5.067 -10.532 139 HG3 PRO 19 1HG PRO 19 0.053 4.181 -11.829 140 HD2 PRO 19 2HD PRO 19 -1.198 5.955 -10.128 141 HD3 PRO 19 1HD PRO 19 -2.029 4.635 -10.977 142 H ASN 20 H ASN 20 -0.673 5.306 -7.193 143 HA ASN 20 HA ASN 20 1.979 6.267 -6.865 144 HB2 ASN 20 2HB ASN 20 -0.568 6.983 -5.403 145 HB3 ASN 20 1HB ASN 20 0.937 7.876 -5.291 146 HD21 ASN 20 1HD2 ASN 20 -0.051 9.729 -6.037 147 HD22 ASN 20 2HD2 ASN 20 -0.503 9.941 -7.684 148 H LEU 21 H LEU 21 -0.312 4.594 -4.786 149 HA LEU 21 HA LEU 21 1.851 3.939 -2.909 150 HB2 LEU 21 2HB LEU 21 -1.072 4.280 -2.216 151 HB3 LEU 21 1HB LEU 21 0.281 4.089 -1.121 152 HG LEU 21 HG LEU 21 -0.254 6.532 -2.813 153 HD11 LEU 21 1HD1 LEU 21 -1.796 6.267 -0.945 154 HD12 LEU 21 2HD1 LEU 21 -0.708 7.635 -0.739 155 HD13 LEU 21 3HD1 LEU 21 -0.420 6.144 0.155 156 HD21 LEU 21 1HD2 LEU 21 1.570 7.545 -1.560 157 HD22 LEU 21 2HD2 LEU 21 2.116 6.174 -2.526 158 HD23 LEU 21 3HD2 LEU 21 1.899 5.993 -0.783 159 H VAL 22 H VAL 22 2.136 1.807 -2.887 160 HA VAL 22 HA VAL 22 -0.130 0.151 -3.743 161 HB VAL 22 HB VAL 22 1.311 -1.386 -4.932 162 HG11 VAL 22 1HG1 VAL 22 2.049 0.010 -6.816 163 HG12 VAL 22 2HG1 VAL 22 1.833 1.443 -5.810 164 HG13 VAL 22 3HG1 VAL 22 0.441 0.455 -6.236 165 HG21 VAL 22 1HG2 VAL 22 3.344 -1.243 -3.616 166 HG22 VAL 22 2HG2 VAL 22 3.608 0.412 -4.148 167 HG23 VAL 22 3HG2 VAL 22 3.728 -0.912 -5.309 168 H CYS 23 H CYS 23 -0.178 -1.987 -2.938 169 HA CYS 23 HA CYS 23 0.683 -2.063 -0.206 170 HB2 CYS 23 2HB CYS 23 -1.569 -2.825 -0.941 171 HB3 CYS 23 1HB CYS 23 -0.800 -4.124 -1.841 172 H SER 24 H SER 24 2.841 -2.415 -0.040 173 HA SER 24 HA SER 24 4.153 -4.356 -1.635 174 HB2 SER 24 2HB SER 24 4.857 -2.639 0.689 175 HB3 SER 24 1HB SER 24 6.051 -3.686 -0.030 176 HG SER 24 HG SER 24 5.220 -2.626 -2.074 177 H ARG 25 H ARG 25 3.612 -6.413 -1.283 178 HA ARG 25 HA ARG 25 2.374 -7.581 0.810 179 HB2 ARG 25 2HB ARG 25 2.671 -8.436 -1.468 180 HB3 ARG 25 1HB ARG 25 4.339 -8.816 -1.084 181 HG2 ARG 25 2HG ARG 25 3.533 -10.323 0.661 182 HG3 ARG 25 1HG ARG 25 1.879 -9.956 0.132 183 HD2 ARG 25 2HD ARG 25 4.054 -11.221 -1.544 184 HD3 ARG 25 1HD ARG 25 2.631 -12.041 -0.903 185 HE ARG 25 HE ARG 25 1.666 -9.939 -2.391 186 HH11 ARG 25 1HH1 ARG 25 3.613 -12.804 -3.047 187 HH12 ARG 25 2HH1 ARG 25 3.120 -12.922 -4.675 188 HH21 ARG 25 1HH2 ARG 25 1.020 -10.104 -4.604 189 HH22 ARG 25 2HH2 ARG 25 1.634 -11.346 -5.592 190 H LEU 26 H LEU 26 5.895 -7.329 0.309 191 HA LEU 26 HA LEU 26 6.590 -9.049 2.456 192 HB2 LEU 26 2HB LEU 26 8.133 -8.516 0.597 193 HB3 LEU 26 1HB LEU 26 8.250 -6.872 1.182 194 HG LEU 26 HG LEU 26 9.279 -7.726 3.277 195 HD11 LEU 26 1HD1 LEU 26 9.260 -10.374 1.839 196 HD12 LEU 26 2HD1 LEU 26 8.371 -9.971 3.309 197 HD13 LEU 26 3HD1 LEU 26 10.132 -10.023 3.331 198 HD21 LEU 26 1HD2 LEU 26 10.677 -8.514 0.724 199 HD22 LEU 26 2HD2 LEU 26 11.453 -8.262 2.286 200 HD23 LEU 26 3HD2 LEU 26 10.674 -6.911 1.462 201 H HIS 27 H HIS 27 5.977 -5.672 2.227 202 HA HIS 27 HA HIS 27 6.912 -5.119 4.931 203 HB2 HIS 27 2HB HIS 27 5.634 -3.358 2.821 204 HB3 HIS 27 1HB HIS 27 6.152 -2.785 4.398 205 HD1 HIS 27 1HD HIS 27 8.414 -1.726 4.355 206 HD2 HIS 27 2HD HIS 27 7.980 -4.547 1.336 207 HE1 HIS 27 1HE HIS 27 10.552 -1.657 3.031 208 H ARG 28 H ARG 28 4.064 -5.574 3.100 209 HA ARG 28 HA ARG 28 1.950 -5.919 3.461 210 HB2 ARG 28 2HB ARG 28 2.737 -6.225 6.360 211 HB3 ARG 28 1HB ARG 28 1.068 -6.341 5.825 212 HG2 ARG 28 2HG ARG 28 1.744 -8.169 4.285 213 HG3 ARG 28 1HG ARG 28 3.356 -8.106 4.995 214 HD2 ARG 28 2HD ARG 28 2.449 -8.677 7.168 215 HD3 ARG 28 1HD ARG 28 0.811 -8.634 6.515 216 HE ARG 28 HE ARG 28 2.554 -10.452 5.146 217 HH11 ARG 28 1HH1 ARG 28 0.214 -10.117 7.768 218 HH12 ARG 28 2HH1 ARG 28 -0.050 -11.779 7.957 219 HH21 ARG 28 1HH2 ARG 28 2.221 -12.723 5.385 220 HH22 ARG 28 2HH2 ARG 28 1.159 -13.333 6.572 221 H TRP 29 H TRP 29 3.186 -3.355 3.397 222 HA TRP 29 HA TRP 29 0.838 -1.953 4.275 223 HB2 TRP 29 2HB TRP 29 2.070 -0.028 5.128 224 HB3 TRP 29 1HB TRP 29 2.437 -1.470 6.041 225 HD1 TRP 29 HD TRP 29 4.191 0.230 2.951 226 HE1 TRP 29 1HE TRP 29 6.679 0.501 3.542 227 HE3 TRP 29 3HE TRP 29 4.169 -1.856 7.625 228 HZ2 TRP 29 2HZ TRP 29 8.411 -0.095 5.692 229 HZ3 TRP 29 3HZ TRP 29 6.287 -1.966 8.875 230 HH2 TRP 29 HH TRP 29 8.360 -1.103 7.920 231 H CYS 30 H CYS 30 0.382 -0.065 3.198 232 HA CYS 30 HA CYS 30 1.112 -0.124 0.417 233 HB2 CYS 30 2HB CYS 30 -0.662 1.600 2.078 234 HB3 CYS 30 1HB CYS 30 -0.370 2.022 0.412 235 H LYS 31 H LYS 31 3.080 0.490 -0.004 236 HA LYS 31 HA LYS 31 4.321 2.584 1.569 237 HB2 LYS 31 2HB LYS 31 6.380 1.846 0.688 238 HB3 LYS 31 1HB LYS 31 5.437 0.399 0.888 239 HG2 LYS 31 2HG LYS 31 4.993 0.233 -1.439 240 HG3 LYS 31 1HG LYS 31 5.680 1.832 -1.739 241 HD2 LYS 31 2HD LYS 31 7.868 1.024 -0.992 242 HD3 LYS 31 1HD LYS 31 7.179 -0.576 -0.715 243 HE2 LYS 31 2HE LYS 31 6.603 -0.711 -3.107 244 HE3 LYS 31 1HE LYS 31 7.359 0.860 -3.362 245 HZ1 LYS 31 1HZ LYS 31 8.691 -1.611 -2.433 246 HZ2 LYS 31 2HZ LYS 31 9.441 -0.116 -2.520 247 HZ3 LYS 31 3HZ LYS 31 8.921 -0.863 -3.930 248 H TYR 32 H TYR 32 5.613 4.200 0.377 249 HA TYR 32 HA TYR 32 4.025 5.454 -1.687 250 HB2 TYR 32 2HB TYR 32 6.619 6.308 -0.366 251 HB3 TYR 32 1HB TYR 32 5.612 7.312 -1.400 252 HD1 TYR 32 1HD TYR 32 3.422 8.091 -0.575 253 HD2 TYR 32 2HD TYR 32 6.124 6.023 1.965 254 HE1 TYR 32 1HE TYR 32 2.174 8.880 1.368 255 HE2 TYR 32 2HE TYR 32 4.893 6.803 3.929 256 HH TYR 32 HH TYR 32 3.406 8.619 4.532 257 H VAL 33 H VAL 33 4.490 5.038 -3.793 258 HA VAL 33 HA VAL 33 6.714 3.339 -4.316 259 HB VAL 33 HB VAL 33 4.838 4.577 -6.349 260 HG11 VAL 33 1HG1 VAL 33 6.730 2.229 -6.557 261 HG12 VAL 33 2HG1 VAL 33 6.958 3.797 -7.323 262 HG13 VAL 33 3HG1 VAL 33 5.618 2.760 -7.818 263 HG21 VAL 33 1HG2 VAL 33 4.794 1.882 -5.016 264 HG22 VAL 33 2HG2 VAL 33 3.718 2.406 -6.312 265 HG23 VAL 33 3HG2 VAL 33 3.649 3.195 -4.733 266 H PHE 34 H PHE 34 8.553 4.245 -4.035 267 HA PHE 34 HA PHE 34 9.278 6.472 -5.773 268 HB2 PHE 34 2HB PHE 34 10.587 5.441 -3.236 269 HB3 PHE 34 1HB PHE 34 11.317 6.633 -4.295 270 HD1 PHE 34 1HD PHE 34 10.074 8.833 -4.608 271 HD2 PHE 34 2HD PHE 34 9.183 6.075 -1.503 272 HE1 PHE 34 1HE PHE 34 9.019 10.640 -3.312 273 HE2 PHE 34 2HE PHE 34 8.122 7.877 -0.207 274 HZ PHE 34 HZ PHE 34 8.040 10.161 -1.114 Start of MODEL 16 1 H1 ASP 1 1HT ASP 1 -0.416 12.110 3.304 2 H2 ASP 1 2HT ASP 1 -1.260 13.404 2.664 3 H3 ASP 1 3HT ASP 1 0.410 13.242 2.335 4 HA ASP 1 HA ASP 1 -0.851 12.508 0.444 5 HB2 ASP 1 2HB ASP 1 -0.146 10.128 0.323 6 HB3 ASP 1 1HB ASP 1 1.139 11.160 0.925 7 H CYS 2 H CYS 2 -2.238 10.562 -0.298 8 HA CYS 2 HA CYS 2 -4.701 10.728 1.199 9 HB2 CYS 2 2HB CYS 2 -5.582 9.555 -0.852 10 HB3 CYS 2 1HB CYS 2 -4.792 11.088 -1.191 11 H LEU 3 H LEU 3 -5.622 8.023 0.221 12 HA LEU 3 HA LEU 3 -4.878 6.455 2.412 13 HB2 LEU 3 2HB LEU 3 -5.847 5.489 -0.233 14 HB3 LEU 3 1HB LEU 3 -5.867 4.569 1.243 15 HG LEU 3 HG LEU 3 -7.564 7.005 0.678 16 HD11 LEU 3 1HD1 LEU 3 -8.300 4.995 -0.480 17 HD12 LEU 3 2HD1 LEU 3 -9.425 5.441 0.801 18 HD13 LEU 3 3HD1 LEU 3 -8.298 4.107 1.044 19 HD21 LEU 3 1HD2 LEU 3 -6.911 6.945 3.028 20 HD22 LEU 3 2HD2 LEU 3 -7.416 5.259 3.131 21 HD23 LEU 3 3HD2 LEU 3 -8.615 6.519 2.846 22 H GLY 4 H GLY 4 -3.119 5.631 2.802 23 HA2 GLY 4 2HA GLY 4 -1.541 3.881 1.451 24 HA3 GLY 4 1HA GLY 4 -0.908 5.463 0.997 25 H ALA 5 H ALA 5 0.291 6.635 2.426 26 HA ALA 5 HA ALA 5 1.767 6.929 4.116 27 HB1 ALA 5 1HB ALA 5 0.650 7.661 6.100 28 HB2 ALA 5 2HB ALA 5 -0.797 6.754 5.653 29 HB3 ALA 5 3HB ALA 5 -0.276 8.126 4.671 30 H PHE 6 H PHE 6 1.865 4.144 3.616 31 HA PHE 6 HA PHE 6 2.722 2.247 4.497 32 HB2 PHE 6 2HB PHE 6 3.241 3.922 6.965 33 HB3 PHE 6 1HB PHE 6 3.936 2.344 6.640 34 HD1 PHE 6 1HD PHE 6 5.480 2.133 4.636 35 HD2 PHE 6 2HD PHE 6 4.274 5.870 6.255 36 HE1 PHE 6 1HE PHE 6 7.410 3.205 3.576 37 HE2 PHE 6 2HE PHE 6 6.202 6.956 5.195 38 HZ PHE 6 HZ PHE 6 7.776 5.621 3.853 39 H ARG 7 H ARG 7 -0.157 3.012 4.960 40 HA ARG 7 HA ARG 7 -0.760 1.833 7.501 41 HB2 ARG 7 2HB ARG 7 -2.636 2.432 5.195 42 HB3 ARG 7 1HB ARG 7 -3.130 1.911 6.789 43 HG2 ARG 7 2HG ARG 7 -1.884 4.558 6.038 44 HG3 ARG 7 1HG ARG 7 -3.542 4.270 6.550 45 HD2 ARG 7 2HD ARG 7 -2.499 5.154 8.452 46 HD3 ARG 7 1HD ARG 7 -2.496 3.415 8.746 47 HE ARG 7 HE ARG 7 -0.150 4.471 7.452 48 HH11 ARG 7 1HH1 ARG 7 -1.558 3.668 10.605 49 HH12 ARG 7 2HH1 ARG 7 -0.032 3.520 11.365 50 HH21 ARG 7 1HH2 ARG 7 1.849 4.349 8.505 51 HH22 ARG 7 2HH2 ARG 7 1.952 3.920 10.149 52 H LYS 8 H LYS 8 -1.386 -0.155 7.896 53 HA LYS 8 HA LYS 8 -0.471 -2.251 6.316 54 HB2 LYS 8 2HB LYS 8 -2.530 -2.300 8.521 55 HB3 LYS 8 1HB LYS 8 -1.804 -3.738 7.815 56 HG2 LYS 8 2HG LYS 8 0.419 -2.931 8.539 57 HG3 LYS 8 1HG LYS 8 -0.371 -1.554 9.296 58 HD2 LYS 8 2HD LYS 8 -1.562 -2.981 10.814 59 HD3 LYS 8 1HD LYS 8 -0.972 -4.421 9.985 60 HE2 LYS 8 2HE LYS 8 0.273 -4.015 12.050 61 HE3 LYS 8 1HE LYS 8 1.308 -3.884 10.632 62 HZ1 LYS 8 1HZ LYS 8 1.749 -2.121 12.204 63 HZ2 LYS 8 2HZ LYS 8 0.151 -1.624 12.170 64 HZ3 LYS 8 3HZ LYS 8 1.118 -1.454 10.792 65 H CYS 9 H CYS 9 -1.431 -3.708 4.967 66 HA CYS 9 HA CYS 9 -4.071 -2.976 3.922 67 HB2 CYS 9 2HB CYS 9 -2.999 -3.237 1.664 68 HB3 CYS 9 1HB CYS 9 -2.531 -1.795 2.572 69 H ILE 10 H ILE 10 -4.843 -4.629 2.437 70 HA ILE 10 HA ILE 10 -3.961 -7.325 3.118 71 HB ILE 10 HB ILE 10 -6.381 -6.332 1.557 72 HG12 ILE 10 2HG1 ILE 10 -6.529 -5.739 3.921 73 HG13 ILE 10 1HG1 ILE 10 -7.723 -6.968 3.511 74 HG21 ILE 10 1HG2 ILE 10 -5.736 -8.553 0.830 75 HG22 ILE 10 2HG2 ILE 10 -7.247 -8.611 1.737 76 HG23 ILE 10 3HG2 ILE 10 -5.743 -9.119 2.502 77 HD11 ILE 10 1HD1 ILE 10 -5.115 -7.390 4.956 78 HD12 ILE 10 2HD1 ILE 10 -6.247 -8.662 4.502 79 HD13 ILE 10 3HD1 ILE 10 -6.735 -7.421 5.657 80 HA PRO 11 HA PRO 11 -1.400 -6.859 -0.620 81 HB2 PRO 11 2HB PRO 11 -1.386 -9.824 -0.240 82 HB3 PRO 11 1HB PRO 11 -0.036 -8.731 -0.582 83 HG2 PRO 11 2HG PRO 11 -0.390 -9.641 1.875 84 HG3 PRO 11 1HG PRO 11 0.052 -7.942 1.613 85 HD2 PRO 11 2HD PRO 11 -2.581 -9.132 2.361 86 HD3 PRO 11 1HD PRO 11 -1.841 -7.601 2.868 87 H ASP 12 H ASP 12 -3.951 -9.266 -0.297 88 HA ASP 12 HA ASP 12 -4.181 -9.612 -3.169 89 HB2 ASP 12 2HB ASP 12 -4.474 -11.538 -1.719 90 HB3 ASP 12 1HB ASP 12 -5.800 -10.740 -0.889 91 H ASN 13 H ASN 13 -5.427 -7.371 -0.955 92 HA ASN 13 HA ASN 13 -7.248 -6.323 -2.877 93 HB2 ASN 13 2HB ASN 13 -8.676 -8.096 -1.861 94 HB3 ASN 13 1HB ASN 13 -8.432 -7.354 -0.291 95 HD21 ASN 13 1HD2 ASN 13 -9.844 -6.924 -3.430 96 HD22 ASN 13 2HD2 ASN 13 -10.969 -5.703 -2.974 97 H ASP 14 H ASP 14 -5.532 -4.813 -2.478 98 HA ASP 14 HA ASP 14 -5.751 -3.357 -0.010 99 HB2 ASP 14 2HB ASP 14 -3.732 -2.194 -0.636 100 HB3 ASP 14 1HB ASP 14 -3.520 -3.936 -0.701 101 H LYS 15 H LYS 15 -6.429 -1.352 0.225 102 HA LYS 15 HA LYS 15 -7.318 -0.018 -2.212 103 HB2 LYS 15 2HB LYS 15 -8.717 -0.041 0.462 104 HB3 LYS 15 1HB LYS 15 -9.123 1.068 -0.841 105 HG2 LYS 15 2HG LYS 15 -9.608 -0.875 -2.282 106 HG3 LYS 15 1HG LYS 15 -9.318 -1.932 -0.900 107 HD2 LYS 15 2HD LYS 15 -11.143 -0.868 0.309 108 HD3 LYS 15 1HD LYS 15 -11.390 0.250 -1.030 109 HE2 LYS 15 2HE LYS 15 -13.026 -1.560 -1.089 110 HE3 LYS 15 1HE LYS 15 -11.975 -1.595 -2.497 111 HZ1 LYS 15 1HZ LYS 15 -10.753 -3.419 -1.558 112 HZ2 LYS 15 2HZ LYS 15 -12.394 -3.796 -1.491 113 HZ3 LYS 15 3HZ LYS 15 -11.598 -3.302 -0.103 114 H CYS 16 H CYS 16 -5.499 1.113 -2.448 115 HA CYS 16 HA CYS 16 -5.282 3.416 -0.756 116 HB2 CYS 16 2HB CYS 16 -2.971 1.552 -1.456 117 HB3 CYS 16 1HB CYS 16 -2.734 3.200 -0.875 118 H CYS 17 H CYS 17 -3.697 5.010 -2.054 119 HA CYS 17 HA CYS 17 -5.054 5.386 -4.521 120 HB2 CYS 17 2HB CYS 17 -2.634 6.835 -3.468 121 HB3 CYS 17 1HB CYS 17 -3.661 7.368 -4.793 122 H ARG 18 H ARG 18 -4.631 3.636 -5.753 123 HA ARG 18 HA ARG 18 -1.993 2.803 -6.475 124 HB2 ARG 18 2HB ARG 18 -4.206 1.463 -6.232 125 HB3 ARG 18 1HB ARG 18 -4.565 2.048 -7.842 126 HG2 ARG 18 2HG ARG 18 -2.627 0.916 -8.724 127 HG3 ARG 18 1HG ARG 18 -2.151 0.417 -7.094 128 HD2 ARG 18 2HD ARG 18 -4.538 -0.622 -7.019 129 HD3 ARG 18 1HD ARG 18 -4.435 -0.511 -8.771 130 HE ARG 18 HE ARG 18 -2.658 -2.011 -8.772 131 HH11 ARG 18 1HH1 ARG 18 -3.942 -1.441 -5.500 132 HH12 ARG 18 2HH1 ARG 18 -3.331 -2.833 -4.804 133 HH21 ARG 18 1HH2 ARG 18 -1.773 -4.048 -7.801 134 HH22 ARG 18 2HH2 ARG 18 -2.075 -4.377 -6.160 135 HA PRO 19 HA PRO 19 -0.905 2.049 -8.031 136 HB2 PRO 19 2HB PRO 19 0.873 2.257 -10.012 137 HB3 PRO 19 1HB PRO 19 -0.744 1.607 -10.290 138 HG2 PRO 19 2HG PRO 19 0.393 4.188 -11.149 139 HG3 PRO 19 1HG PRO 19 -1.001 3.304 -11.785 140 HD2 PRO 19 2HD PRO 19 -0.958 5.511 -9.897 141 HD3 PRO 19 1HD PRO 19 -2.355 4.734 -10.666 142 H ASN 20 H ASN 20 -0.625 5.112 -7.361 143 HA ASN 20 HA ASN 20 2.209 5.581 -7.200 144 HB2 ASN 20 2HB ASN 20 -0.035 6.978 -5.714 145 HB3 ASN 20 1HB ASN 20 1.619 7.550 -5.856 146 HD21 ASN 20 1HD2 ASN 20 2.298 8.450 -7.824 147 HD22 ASN 20 2HD2 ASN 20 1.163 8.939 -9.018 148 H LEU 21 H LEU 21 -0.340 4.627 -4.995 149 HA LEU 21 HA LEU 21 1.662 3.846 -2.998 150 HB2 LEU 21 2HB LEU 21 -1.220 4.614 -2.489 151 HB3 LEU 21 1HB LEU 21 0.052 4.358 -1.310 152 HG LEU 21 HG LEU 21 -0.089 6.670 -3.259 153 HD11 LEU 21 1HD1 LEU 21 -0.477 8.078 -1.385 154 HD12 LEU 21 2HD1 LEU 21 -0.283 6.746 -0.275 155 HD13 LEU 21 3HD1 LEU 21 -1.691 6.792 -1.349 156 HD21 LEU 21 1HD2 LEU 21 1.836 7.540 -2.039 157 HD22 LEU 21 2HD2 LEU 21 2.183 6.026 -2.874 158 HD23 LEU 21 3HD2 LEU 21 1.924 6.031 -1.129 159 H VAL 22 H VAL 22 1.689 1.721 -2.785 160 HA VAL 22 HA VAL 22 -0.700 0.156 -3.447 161 HB VAL 22 HB VAL 22 2.072 -0.520 -4.523 162 HG11 VAL 22 1HG1 VAL 22 -0.581 -1.855 -5.039 163 HG12 VAL 22 2HG1 VAL 22 0.753 -2.508 -4.089 164 HG13 VAL 22 3HG1 VAL 22 0.943 -2.265 -5.825 165 HG21 VAL 22 1HG2 VAL 22 1.155 -0.071 -6.768 166 HG22 VAL 22 2HG2 VAL 22 1.200 1.374 -5.757 167 HG23 VAL 22 3HG2 VAL 22 -0.326 0.531 -6.022 168 H CYS 23 H CYS 23 -0.811 -1.775 -2.340 169 HA CYS 23 HA CYS 23 0.506 -1.984 0.137 170 HB2 CYS 23 2HB CYS 23 -1.700 -2.915 -0.411 171 HB3 CYS 23 1HB CYS 23 -0.924 -4.096 -1.459 172 H SER 24 H SER 24 2.630 -2.443 0.312 173 HA SER 24 HA SER 24 3.929 -4.169 -1.587 174 HB2 SER 24 2HB SER 24 5.230 -2.382 -0.560 175 HB3 SER 24 1HB SER 24 4.826 -2.971 1.052 176 HG SER 24 HG SER 24 6.295 -4.454 -0.894 177 H ARG 25 H ARG 25 3.813 -6.320 -1.424 178 HA ARG 25 HA ARG 25 2.550 -7.441 0.888 179 HB2 ARG 25 2HB ARG 25 2.717 -9.591 -0.263 180 HB3 ARG 25 1HB ARG 25 2.055 -8.347 -1.303 181 HG2 ARG 25 2HG ARG 25 4.202 -8.134 -2.438 182 HG3 ARG 25 1HG ARG 25 4.874 -9.377 -1.374 183 HD2 ARG 25 2HD ARG 25 2.580 -9.729 -3.293 184 HD3 ARG 25 1HD ARG 25 4.223 -10.336 -3.515 185 HE ARG 25 HE ARG 25 3.545 -11.399 -1.167 186 HH11 ARG 25 1HH1 ARG 25 1.892 -11.405 -4.272 187 HH12 ARG 25 2HH1 ARG 25 1.087 -12.885 -4.009 188 HH21 ARG 25 1HH2 ARG 25 2.418 -13.419 -0.765 189 HH22 ARG 25 2HH2 ARG 25 1.416 -14.058 -1.981 190 H LEU 26 H LEU 26 5.652 -6.680 0.051 191 HA LEU 26 HA LEU 26 7.116 -8.521 1.684 192 HB2 LEU 26 2HB LEU 26 8.038 -7.157 -0.237 193 HB3 LEU 26 1HB LEU 26 7.848 -5.729 0.738 194 HG LEU 26 HG LEU 26 9.745 -8.001 1.402 195 HD11 LEU 26 1HD1 LEU 26 11.498 -6.514 0.549 196 HD12 LEU 26 2HD1 LEU 26 10.259 -5.376 0.024 197 HD13 LEU 26 3HD1 LEU 26 10.351 -6.978 -0.706 198 HD21 LEU 26 1HD2 LEU 26 9.622 -5.159 2.444 199 HD22 LEU 26 2HD2 LEU 26 10.839 -6.366 2.865 200 HD23 LEU 26 3HD2 LEU 26 9.158 -6.601 3.348 201 H HIS 27 H HIS 27 6.383 -5.073 2.011 202 HA HIS 27 HA HIS 27 7.106 -5.040 4.794 203 HB2 HIS 27 2HB HIS 27 5.789 -2.886 3.131 204 HB3 HIS 27 1HB HIS 27 6.490 -2.665 4.723 205 HD1 HIS 27 1HD HIS 27 9.147 -2.591 4.837 206 HD2 HIS 27 2HD HIS 27 7.553 -2.965 1.019 207 HE1 HIS 27 1HE HIS 27 11.013 -2.019 3.234 208 H ARG 28 H ARG 28 4.214 -5.421 2.993 209 HA ARG 28 HA ARG 28 2.138 -5.930 3.446 210 HB2 ARG 28 2HB ARG 28 3.013 -6.224 6.327 211 HB3 ARG 28 1HB ARG 28 1.442 -6.709 5.700 212 HG2 ARG 28 2HG ARG 28 2.605 -8.271 4.157 213 HG3 ARG 28 1HG ARG 28 4.123 -7.852 4.952 214 HD2 ARG 28 2HD ARG 28 1.706 -9.121 6.232 215 HD3 ARG 28 1HD ARG 28 3.235 -9.911 5.860 216 HE ARG 28 HE ARG 28 3.652 -7.681 7.532 217 HH11 ARG 28 1HH1 ARG 28 2.519 -11.025 7.600 218 HH12 ARG 28 2HH1 ARG 28 2.803 -11.236 9.264 219 HH21 ARG 28 1HH2 ARG 28 4.028 -7.975 9.826 220 HH22 ARG 28 2HH2 ARG 28 3.665 -9.475 10.557 221 H TRP 29 H TRP 29 3.108 -3.262 3.446 222 HA TRP 29 HA TRP 29 0.670 -2.073 4.394 223 HB2 TRP 29 2HB TRP 29 1.797 -0.076 5.303 224 HB3 TRP 29 1HB TRP 29 2.183 -1.521 6.207 225 HD1 TRP 29 HD TRP 29 3.986 0.111 3.124 226 HE1 TRP 29 1HE TRP 29 6.487 0.421 3.778 227 HE3 TRP 29 3HE TRP 29 3.827 -1.634 7.915 228 HZ2 TRP 29 2HZ TRP 29 8.113 0.012 5.990 229 HZ3 TRP 29 3HZ TRP 29 5.902 -1.629 9.236 230 HH2 TRP 29 HH TRP 29 7.989 -0.820 8.291 231 H CYS 30 H CYS 30 0.217 -0.012 3.396 232 HA CYS 30 HA CYS 30 0.862 -0.020 0.612 233 HB2 CYS 30 2HB CYS 30 -0.653 1.900 2.351 234 HB3 CYS 30 1HB CYS 30 -0.450 2.167 0.632 235 H LYS 31 H LYS 31 2.760 0.545 -0.049 236 HA LYS 31 HA LYS 31 4.120 2.725 1.340 237 HB2 LYS 31 2HB LYS 31 6.210 1.768 0.738 238 HB3 LYS 31 1HB LYS 31 5.228 0.442 1.317 239 HG2 LYS 31 2HG LYS 31 4.827 -0.332 -0.896 240 HG3 LYS 31 1HG LYS 31 5.574 1.112 -1.580 241 HD2 LYS 31 2HD LYS 31 7.701 0.452 -0.432 242 HD3 LYS 31 1HD LYS 31 6.930 -1.080 -0.025 243 HE2 LYS 31 2HE LYS 31 8.280 -1.277 -2.049 244 HE3 LYS 31 1HE LYS 31 6.570 -1.544 -2.386 245 HZ1 LYS 31 1HZ LYS 31 8.029 1.009 -2.882 246 HZ2 LYS 31 2HZ LYS 31 6.413 0.720 -3.229 247 HZ3 LYS 31 3HZ LYS 31 7.607 -0.117 -4.051 248 H TYR 32 H TYR 32 5.717 3.804 -0.224 249 HA TYR 32 HA TYR 32 4.104 4.893 -2.372 250 HB2 TYR 32 2HB TYR 32 6.790 5.750 -1.254 251 HB3 TYR 32 1HB TYR 32 5.794 6.665 -2.378 252 HD1 TYR 32 1HD TYR 32 4.055 8.069 -1.578 253 HD2 TYR 32 2HD TYR 32 5.981 5.414 1.122 254 HE1 TYR 32 1HE TYR 32 2.917 9.147 0.286 255 HE2 TYR 32 2HE TYR 32 4.845 6.482 2.995 256 HH TYR 32 HH TYR 32 2.210 8.485 2.627 257 H VAL 33 H VAL 33 5.005 5.060 -4.540 258 HA VAL 33 HA VAL 33 6.808 2.937 -5.199 259 HB VAL 33 HB VAL 33 6.425 3.693 -7.564 260 HG11 VAL 33 1HG1 VAL 33 5.085 1.926 -6.617 261 HG12 VAL 33 2HG1 VAL 33 4.108 2.921 -7.698 262 HG13 VAL 33 3HG1 VAL 33 3.959 3.107 -5.950 263 HG21 VAL 33 1HG2 VAL 33 4.640 5.297 -8.034 264 HG22 VAL 33 2HG2 VAL 33 5.940 6.051 -7.104 265 HG23 VAL 33 3HG2 VAL 33 4.440 5.588 -6.306 266 H PHE 34 H PHE 34 8.264 3.741 -7.082 267 HA PHE 34 HA PHE 34 9.980 5.797 -5.889 268 HB2 PHE 34 2HB PHE 34 11.039 3.568 -6.186 269 HB3 PHE 34 1HB PHE 34 10.707 3.646 -7.908 270 HD1 PHE 34 1HD PHE 34 12.179 4.781 -9.380 271 HD2 PHE 34 2HD PHE 34 12.643 5.203 -5.170 272 HE1 PHE 34 1HE PHE 34 14.336 5.895 -9.733 273 HE2 PHE 34 2HE PHE 34 14.811 6.323 -5.524 274 HZ PHE 34 HZ PHE 34 15.656 6.669 -7.803 Start of MODEL 17 1 H1 ASP 1 1HT ASP 1 -9.576 10.721 2.778 2 H2 ASP 1 2HT ASP 1 -9.310 11.409 1.276 3 H3 ASP 1 3HT ASP 1 -9.545 12.409 2.630 4 HA ASP 1 HA ASP 1 -7.216 12.283 2.010 5 HB2 ASP 1 2HB ASP 1 -7.704 12.624 4.364 6 HB3 ASP 1 1HB ASP 1 -8.005 10.914 4.598 7 H CYS 2 H CYS 2 -5.344 10.994 1.734 8 HA CYS 2 HA CYS 2 -5.914 8.632 0.275 9 HB2 CYS 2 2HB CYS 2 -4.091 10.166 -0.339 10 HB3 CYS 2 1HB CYS 2 -3.249 9.762 1.152 11 H LEU 3 H LEU 3 -5.133 6.520 0.699 12 HA LEU 3 HA LEU 3 -5.242 5.838 3.552 13 HB2 LEU 3 2HB LEU 3 -5.338 4.085 1.104 14 HB3 LEU 3 1HB LEU 3 -5.443 3.582 2.778 15 HG LEU 3 HG LEU 3 -7.460 5.336 1.367 16 HD11 LEU 3 1HD1 LEU 3 -7.474 3.088 0.463 17 HD12 LEU 3 2HD1 LEU 3 -8.911 3.364 1.450 18 HD13 LEU 3 3HD1 LEU 3 -7.572 2.415 2.090 19 HD21 LEU 3 1HD2 LEU 3 -8.860 4.905 3.341 20 HD22 LEU 3 2HD2 LEU 3 -7.377 5.751 3.773 21 HD23 LEU 3 3HD2 LEU 3 -7.529 4.021 4.089 22 H GLY 4 H GLY 4 -3.055 6.774 1.827 23 HA2 GLY 4 2HA GLY 4 -1.095 4.629 1.828 24 HA3 GLY 4 1HA GLY 4 -0.895 6.230 1.137 25 H ALA 5 H ALA 5 1.103 6.420 1.932 26 HA ALA 5 HA ALA 5 2.799 6.858 3.260 27 HB1 ALA 5 1HB ALA 5 2.464 8.389 5.124 28 HB2 ALA 5 2HB ALA 5 0.734 8.035 5.129 29 HB3 ALA 5 3HB ALA 5 1.461 8.862 3.754 30 H PHE 6 H PHE 6 2.644 4.407 3.353 31 HA PHE 6 HA PHE 6 3.236 2.541 4.392 32 HB2 PHE 6 2HB PHE 6 4.158 4.480 6.510 33 HB3 PHE 6 1HB PHE 6 4.563 2.769 6.507 34 HD1 PHE 6 1HD PHE 6 5.220 6.032 5.020 35 HD2 PHE 6 2HD PHE 6 6.074 1.866 4.784 36 HE1 PHE 6 1HE PHE 6 7.156 6.511 3.588 37 HE2 PHE 6 2HE PHE 6 8.006 2.342 3.358 38 HZ PHE 6 HZ PHE 6 8.555 4.671 2.754 39 H ARG 7 H ARG 7 0.455 3.446 4.895 40 HA ARG 7 HA ARG 7 -0.048 2.335 7.526 41 HB2 ARG 7 2HB ARG 7 -1.992 3.230 5.391 42 HB3 ARG 7 1HB ARG 7 -2.456 2.625 6.972 43 HG2 ARG 7 2HG ARG 7 -0.957 5.156 6.345 44 HG3 ARG 7 1HG ARG 7 -2.586 5.009 7.002 45 HD2 ARG 7 2HD ARG 7 0.008 4.266 8.371 46 HD3 ARG 7 1HD ARG 7 -1.052 5.610 8.767 47 HE ARG 7 HE ARG 7 -2.582 3.339 8.984 48 HH11 ARG 7 1HH1 ARG 7 0.269 4.709 10.577 49 HH12 ARG 7 2HH1 ARG 7 0.011 3.893 12.048 50 HH21 ARG 7 1HH2 ARG 7 -2.911 2.190 11.028 51 HH22 ARG 7 2HH2 ARG 7 -1.826 2.436 12.309 52 H LYS 8 H LYS 8 -1.308 0.425 7.892 53 HA LYS 8 HA LYS 8 -0.444 -1.646 6.141 54 HB2 LYS 8 2HB LYS 8 -2.222 -1.794 8.567 55 HB3 LYS 8 1HB LYS 8 -1.611 -3.172 7.668 56 HG2 LYS 8 2HG LYS 8 0.697 -2.434 8.200 57 HG3 LYS 8 1HG LYS 8 0.009 -1.157 9.203 58 HD2 LYS 8 2HD LYS 8 0.626 -3.026 10.598 59 HD3 LYS 8 1HD LYS 8 -1.130 -2.880 10.559 60 HE2 LYS 8 2HE LYS 8 -1.258 -4.682 8.907 61 HE3 LYS 8 1HE LYS 8 0.501 -4.803 8.892 62 HZ1 LYS 8 1HZ LYS 8 -0.468 -6.497 10.288 63 HZ2 LYS 8 2HZ LYS 8 -1.288 -5.353 11.194 64 HZ3 LYS 8 3HZ LYS 8 0.395 -5.413 11.238 65 H CYS 9 H CYS 9 -1.493 -2.804 4.767 66 HA CYS 9 HA CYS 9 -4.318 -2.272 4.264 67 HB2 CYS 9 2HB CYS 9 -3.532 -2.285 1.786 68 HB3 CYS 9 1HB CYS 9 -3.361 -0.818 2.752 69 H ILE 10 H ILE 10 -5.011 -3.819 2.408 70 HA ILE 10 HA ILE 10 -4.347 -6.479 3.236 71 HB ILE 10 HB ILE 10 -6.218 -5.493 1.054 72 HG12 ILE 10 2HG1 ILE 10 -6.793 -6.452 3.866 73 HG13 ILE 10 1HG1 ILE 10 -6.908 -4.792 3.301 74 HG21 ILE 10 1HG2 ILE 10 -7.180 -7.759 1.121 75 HG22 ILE 10 2HG2 ILE 10 -5.904 -8.248 2.238 76 HG23 ILE 10 3HG2 ILE 10 -5.497 -7.764 0.598 77 HD11 ILE 10 1HD1 ILE 10 -8.722 -5.445 1.792 78 HD12 ILE 10 2HD1 ILE 10 -9.099 -5.811 3.475 79 HD13 ILE 10 3HD1 ILE 10 -8.606 -7.102 2.380 80 HA PRO 11 HA PRO 11 -1.050 -6.588 0.236 81 HB2 PRO 11 2HB PRO 11 -0.241 -9.130 0.705 82 HB3 PRO 11 1HB PRO 11 0.105 -7.793 1.808 83 HG2 PRO 11 2HG PRO 11 -2.061 -9.848 1.955 84 HG3 PRO 11 1HG PRO 11 -0.987 -9.277 3.249 85 HD2 PRO 11 2HD PRO 11 -3.513 -8.402 2.961 86 HD3 PRO 11 1HD PRO 11 -2.215 -7.345 3.558 87 H ASP 12 H ASP 12 -3.664 -8.949 0.277 88 HA ASP 12 HA ASP 12 -2.905 -9.929 -2.365 89 HB2 ASP 12 2HB ASP 12 -4.639 -11.650 -2.046 90 HB3 ASP 12 1HB ASP 12 -3.503 -11.626 -0.708 91 H ASN 13 H ASN 13 -4.874 -7.613 -1.054 92 HA ASN 13 HA ASN 13 -6.117 -7.017 -3.600 93 HB2 ASN 13 2HB ASN 13 -7.755 -7.464 -1.072 94 HB3 ASN 13 1HB ASN 13 -8.329 -6.468 -2.392 95 HD21 ASN 13 1HD2 ASN 13 -7.360 -8.216 -4.518 96 HD22 ASN 13 2HD2 ASN 13 -8.352 -9.614 -4.463 97 H ASP 14 H ASP 14 -4.657 -5.393 -3.534 98 HA ASP 14 HA ASP 14 -4.432 -3.822 -1.184 99 HB2 ASP 14 2HB ASP 14 -2.641 -2.606 -2.304 100 HB3 ASP 14 1HB ASP 14 -2.431 -4.345 -2.363 101 H LYS 15 H LYS 15 -5.578 -2.251 -0.589 102 HA LYS 15 HA LYS 15 -6.862 -0.569 -2.607 103 HB2 LYS 15 2HB LYS 15 -7.675 -0.998 0.286 104 HB3 LYS 15 1HB LYS 15 -8.507 0.006 -0.879 105 HG2 LYS 15 2HG LYS 15 -8.254 -2.997 -1.011 106 HG3 LYS 15 1HG LYS 15 -9.675 -2.093 -0.495 107 HD2 LYS 15 2HD LYS 15 -9.802 -1.072 -2.744 108 HD3 LYS 15 1HD LYS 15 -8.424 -2.055 -3.241 109 HE2 LYS 15 2HE LYS 15 -10.483 -3.102 -3.979 110 HE3 LYS 15 1HE LYS 15 -9.720 -4.090 -2.738 111 HZ1 LYS 15 1HZ LYS 15 -12.109 -3.904 -2.378 112 HZ2 LYS 15 2HZ LYS 15 -12.026 -2.251 -2.330 113 HZ3 LYS 15 3HZ LYS 15 -11.309 -3.153 -1.107 114 H CYS 16 H CYS 16 -5.307 0.975 -2.882 115 HA CYS 16 HA CYS 16 -4.862 2.727 -0.674 116 HB2 CYS 16 2HB CYS 16 -3.003 0.870 -0.910 117 HB3 CYS 16 1HB CYS 16 -2.513 1.826 -2.308 118 H CYS 17 H CYS 17 -3.431 4.608 -1.865 119 HA CYS 17 HA CYS 17 -5.151 5.403 -4.028 120 HB2 CYS 17 2HB CYS 17 -2.703 6.836 -3.000 121 HB3 CYS 17 1HB CYS 17 -4.085 7.526 -3.846 122 H ARG 18 H ARG 18 -4.688 4.066 -5.736 123 HA ARG 18 HA ARG 18 -1.899 3.841 -6.524 124 HB2 ARG 18 2HB ARG 18 -2.475 1.834 -7.624 125 HB3 ARG 18 1HB ARG 18 -3.441 1.849 -6.178 126 HG2 ARG 18 2HG ARG 18 -5.352 2.689 -7.575 127 HG3 ARG 18 1HG ARG 18 -4.348 2.347 -8.990 128 HD2 ARG 18 2HD ARG 18 -5.429 0.452 -6.943 129 HD3 ARG 18 1HD ARG 18 -5.587 0.391 -8.700 130 HE ARG 18 HE ARG 18 -3.075 0.038 -8.634 131 HH11 ARG 18 1HH1 ARG 18 -5.366 -1.343 -6.341 132 HH12 ARG 18 2HH1 ARG 18 -4.252 -2.466 -5.703 133 HH21 ARG 18 1HH2 ARG 18 -1.547 -1.454 -7.701 134 HH22 ARG 18 2HH2 ARG 18 -2.040 -2.438 -6.380 135 HA PRO 19 HA PRO 19 -1.197 2.815 -8.676 136 HB2 PRO 19 2HB PRO 19 0.453 3.544 -10.602 137 HB3 PRO 19 1HB PRO 19 -1.186 3.006 -10.986 138 HG2 PRO 19 2HG PRO 19 -0.077 5.781 -10.884 139 HG3 PRO 19 1HG PRO 19 -1.220 5.076 -12.039 140 HD2 PRO 19 2HD PRO 19 -1.902 6.646 -9.834 141 HD3 PRO 19 1HD PRO 19 -3.010 5.584 -10.718 142 H ASN 20 H ASN 20 -0.924 5.706 -7.344 143 HA ASN 20 HA ASN 20 1.904 6.109 -7.266 144 HB2 ASN 20 2HB ASN 20 -0.285 7.245 -5.529 145 HB3 ASN 20 1HB ASN 20 1.402 7.727 -5.429 146 HD21 ASN 20 1HD2 ASN 20 1.800 7.599 -8.361 147 HD22 ASN 20 2HD2 ASN 20 0.962 8.974 -8.965 148 H LEU 21 H LEU 21 -0.417 4.597 -5.091 149 HA LEU 21 HA LEU 21 1.883 3.431 -3.733 150 HB2 LEU 21 2HB LEU 21 -0.741 4.189 -2.485 151 HB3 LEU 21 1HB LEU 21 0.505 3.313 -1.675 152 HG LEU 21 HG LEU 21 1.943 5.451 -2.396 153 HD11 LEU 21 1HD1 LEU 21 0.688 7.488 -2.011 154 HD12 LEU 21 2HD1 LEU 21 -0.807 6.555 -1.947 155 HD13 LEU 21 3HD1 LEU 21 0.129 6.622 -3.443 156 HD21 LEU 21 1HD2 LEU 21 1.891 4.549 -0.200 157 HD22 LEU 21 2HD2 LEU 21 0.237 5.091 0.033 158 HD23 LEU 21 3HD2 LEU 21 1.545 6.279 -0.089 159 H VAL 22 H VAL 22 1.873 1.377 -3.459 160 HA VAL 22 HA VAL 22 -0.570 -0.144 -3.983 161 HB VAL 22 HB VAL 22 0.820 -2.002 -4.887 162 HG11 VAL 22 1HG1 VAL 22 1.138 0.578 -6.397 163 HG12 VAL 22 2HG1 VAL 22 -0.240 -0.521 -6.468 164 HG13 VAL 22 3HG1 VAL 22 1.332 -1.035 -7.083 165 HG21 VAL 22 1HG2 VAL 22 3.086 -0.009 -4.777 166 HG22 VAL 22 2HG2 VAL 22 3.151 -1.578 -5.578 167 HG23 VAL 22 3HG2 VAL 22 2.945 -1.488 -3.827 168 H CYS 23 H CYS 23 -0.508 -2.236 -2.819 169 HA CYS 23 HA CYS 23 0.679 -1.686 -0.213 170 HB2 CYS 23 2HB CYS 23 -1.741 -2.410 -0.463 171 HB3 CYS 23 1HB CYS 23 -1.115 -3.993 -0.924 172 H SER 24 H SER 24 2.371 -2.715 0.521 173 HA SER 24 HA SER 24 3.846 -4.499 -1.093 174 HB2 SER 24 2HB SER 24 4.850 -3.029 0.677 175 HB3 SER 24 1HB SER 24 4.012 -3.990 1.879 176 HG SER 24 HG SER 24 6.117 -4.780 0.175 177 H ARG 25 H ARG 25 3.617 -6.665 -1.226 178 HA ARG 25 HA ARG 25 1.506 -7.913 0.267 179 HB2 ARG 25 2HB ARG 25 3.506 -9.180 -1.603 180 HB3 ARG 25 1HB ARG 25 2.009 -9.902 -1.030 181 HG2 ARG 25 2HG ARG 25 0.771 -8.058 -2.167 182 HG3 ARG 25 1HG ARG 25 2.306 -7.544 -2.870 183 HD2 ARG 25 2HD ARG 25 1.176 -8.931 -4.461 184 HD3 ARG 25 1HD ARG 25 2.570 -9.798 -3.787 185 HE ARG 25 HE ARG 25 0.722 -10.693 -2.181 186 HH11 ARG 25 1HH1 ARG 25 0.465 -10.363 -5.725 187 HH12 ARG 25 2HH1 ARG 25 -0.692 -11.602 -5.842 188 HH21 ARG 25 1HH2 ARG 25 -0.828 -12.356 -2.412 189 HH22 ARG 25 2HH2 ARG 25 -1.446 -12.760 -3.943 190 H LEU 26 H LEU 26 4.892 -7.710 0.246 191 HA LEU 26 HA LEU 26 5.376 -9.771 2.195 192 HB2 LEU 26 2HB LEU 26 7.161 -7.551 1.217 193 HB3 LEU 26 1HB LEU 26 7.675 -8.877 2.237 194 HG LEU 26 HG LEU 26 6.636 -9.183 -0.584 195 HD11 LEU 26 1HD1 LEU 26 8.961 -9.657 -1.160 196 HD12 LEU 26 2HD1 LEU 26 9.446 -9.281 0.494 197 HD13 LEU 26 3HD1 LEU 26 8.770 -8.019 -0.538 198 HD21 LEU 26 1HD2 LEU 26 6.243 -11.147 0.806 199 HD22 LEU 26 2HD2 LEU 26 7.936 -11.151 1.297 200 HD23 LEU 26 3HD2 LEU 26 7.503 -11.463 -0.384 201 H HIS 27 H HIS 27 5.458 -6.193 2.309 202 HA HIS 27 HA HIS 27 5.938 -6.290 5.179 203 HB2 HIS 27 2HB HIS 27 5.783 -3.899 3.326 204 HB3 HIS 27 1HB HIS 27 6.279 -3.857 5.007 205 HD1 HIS 27 1HD HIS 27 8.800 -4.032 5.373 206 HD2 HIS 27 2HD HIS 27 7.608 -5.443 1.652 207 HE1 HIS 27 1HE HIS 27 10.914 -4.534 4.106 208 H ARG 28 H ARG 28 3.318 -5.860 3.037 209 HA ARG 28 HA ARG 28 1.148 -5.569 3.259 210 HB2 ARG 28 2HB ARG 28 1.698 -6.095 6.170 211 HB3 ARG 28 1HB ARG 28 0.078 -5.937 5.501 212 HG2 ARG 28 2HG ARG 28 0.547 -7.795 3.972 213 HG3 ARG 28 1HG ARG 28 2.141 -7.972 4.702 214 HD2 ARG 28 2HD ARG 28 1.143 -8.514 6.827 215 HD3 ARG 28 1HD ARG 28 -0.473 -8.219 6.177 216 HE ARG 28 HE ARG 28 1.062 -10.177 4.749 217 HH11 ARG 28 1HH1 ARG 28 -1.166 -9.704 7.450 218 HH12 ARG 28 2HH1 ARG 28 -1.798 -11.284 7.367 219 HH21 ARG 28 1HH2 ARG 28 0.202 -12.300 4.636 220 HH22 ARG 28 2HH2 ARG 28 -0.991 -12.809 5.752 221 H TRP 29 H TRP 29 2.899 -3.218 3.452 222 HA TRP 29 HA TRP 29 0.767 -1.469 4.388 223 HB2 TRP 29 2HB TRP 29 2.367 0.243 5.105 224 HB3 TRP 29 1HB TRP 29 2.570 -1.247 6.005 225 HD1 TRP 29 HD TRP 29 4.261 0.225 2.779 226 HE1 TRP 29 1HE TRP 29 6.807 -0.067 3.032 227 HE3 TRP 29 3HE TRP 29 4.363 -2.051 7.353 228 HZ2 TRP 29 2HZ TRP 29 8.613 -1.091 4.933 229 HZ3 TRP 29 3HZ TRP 29 6.543 -2.636 8.324 230 HH2 TRP 29 HH TRP 29 8.619 -2.164 7.134 231 H CYS 30 H CYS 30 0.725 0.623 3.406 232 HA CYS 30 HA CYS 30 0.910 0.484 0.573 233 HB2 CYS 30 2HB CYS 30 0.256 2.699 2.480 234 HB3 CYS 30 1HB CYS 30 0.414 2.990 0.758 235 H LYS 31 H LYS 31 2.696 0.617 -0.492 236 HA LYS 31 HA LYS 31 4.800 2.383 0.494 237 HB2 LYS 31 2HB LYS 31 6.396 0.915 -0.576 238 HB3 LYS 31 1HB LYS 31 5.357 -0.047 0.454 239 HG2 LYS 31 2HG LYS 31 4.057 -0.703 -1.546 240 HG3 LYS 31 1HG LYS 31 5.214 0.182 -2.540 241 HD2 LYS 31 2HD LYS 31 7.014 -1.240 -1.538 242 HD3 LYS 31 1HD LYS 31 5.754 -2.207 -0.789 243 HE2 LYS 31 2HE LYS 31 6.382 -3.303 -2.801 244 HE3 LYS 31 1HE LYS 31 4.796 -2.580 -3.063 245 HZ1 LYS 31 1HZ LYS 31 7.380 -1.422 -3.935 246 HZ2 LYS 31 2HZ LYS 31 5.894 -0.733 -4.257 247 HZ3 LYS 31 3HZ LYS 31 6.306 -2.203 -4.945 248 H TYR 32 H TYR 32 5.837 3.652 -1.071 249 HA TYR 32 HA TYR 32 4.066 4.530 -3.138 250 HB2 TYR 32 2HB TYR 32 6.804 5.507 -2.305 251 HB3 TYR 32 1HB TYR 32 5.799 6.272 -3.530 252 HD1 TYR 32 1HD TYR 32 6.386 5.846 0.036 253 HD2 TYR 32 2HD TYR 32 3.686 7.369 -2.872 254 HE1 TYR 32 1HE TYR 32 5.279 7.181 1.771 255 HE2 TYR 32 2HE TYR 32 2.571 8.700 -1.160 256 HH TYR 32 HH TYR 32 2.276 8.706 1.258 257 H VAL 33 H VAL 33 4.312 4.335 -5.235 258 HA VAL 33 HA VAL 33 6.132 2.311 -6.187 259 HB VAL 33 HB VAL 33 3.964 3.858 -7.640 260 HG11 VAL 33 1HG1 VAL 33 4.146 2.142 -9.380 261 HG12 VAL 33 2HG1 VAL 33 5.490 1.406 -8.509 262 HG13 VAL 33 3HG1 VAL 33 5.662 3.025 -9.192 263 HG21 VAL 33 1HG2 VAL 33 3.964 1.065 -6.524 264 HG22 VAL 33 2HG2 VAL 33 2.662 1.808 -7.453 265 HG23 VAL 33 3HG2 VAL 33 3.091 2.448 -5.866 266 H PHE 34 H PHE 34 8.116 3.068 -6.380 267 HA PHE 34 HA PHE 34 8.565 5.061 -8.385 268 HB2 PHE 34 2HB PHE 34 10.364 6.183 -7.035 269 HB3 PHE 34 1HB PHE 34 8.758 6.436 -6.388 270 HD1 PHE 34 1HD PHE 34 8.135 5.488 -4.236 271 HD2 PHE 34 2HD PHE 34 12.022 4.888 -5.842 272 HE1 PHE 34 1HE PHE 34 8.935 4.767 -2.018 273 HE2 PHE 34 2HE PHE 34 12.831 4.164 -3.644 274 HZ PHE 34 HZ PHE 34 11.288 4.100 -1.722 Start of MODEL 18 1 H1 ASP 1 1HT ASP 1 -5.255 13.996 0.201 2 H2 ASP 1 2HT ASP 1 -3.966 13.149 -0.464 3 H3 ASP 1 3HT ASP 1 -3.672 14.328 0.696 4 HA ASP 1 HA ASP 1 -3.480 12.115 1.595 5 HB2 ASP 1 2HB ASP 1 -4.175 13.838 3.149 6 HB3 ASP 1 1HB ASP 1 -5.850 13.688 2.621 7 H CYS 2 H CYS 2 -3.917 10.159 0.960 8 HA CYS 2 HA CYS 2 -6.691 9.298 0.751 9 HB2 CYS 2 2HB CYS 2 -5.548 9.954 -1.547 10 HB3 CYS 2 1HB CYS 2 -4.689 8.435 -1.343 11 H LEU 3 H LEU 3 -5.942 6.625 -0.055 12 HA LEU 3 HA LEU 3 -4.838 5.667 2.428 13 HB2 LEU 3 2HB LEU 3 -5.439 4.147 -0.060 14 HB3 LEU 3 1HB LEU 3 -5.217 3.477 1.531 15 HG LEU 3 HG LEU 3 -7.538 5.215 0.706 16 HD11 LEU 3 1HD1 LEU 3 -8.842 3.180 0.895 17 HD12 LEU 3 2HD1 LEU 3 -7.382 2.266 1.279 18 HD13 LEU 3 3HD1 LEU 3 -7.572 3.000 -0.315 19 HD21 LEU 3 1HD2 LEU 3 -7.000 3.737 3.288 20 HD22 LEU 3 2HD2 LEU 3 -8.465 4.642 2.892 21 HD23 LEU 3 3HD2 LEU 3 -6.930 5.486 3.068 22 H GLY 4 H GLY 4 -2.828 5.499 2.738 23 HA2 GLY 4 2HA GLY 4 -0.927 4.216 1.191 24 HA3 GLY 4 1HA GLY 4 -0.778 5.945 0.865 25 H ALA 5 H ALA 5 0.919 6.630 1.966 26 HA ALA 5 HA ALA 5 2.361 7.162 3.632 27 HB1 ALA 5 1HB ALA 5 0.402 8.543 4.110 28 HB2 ALA 5 2HB ALA 5 1.337 8.161 5.559 29 HB3 ALA 5 3HB ALA 5 -0.171 7.306 5.231 30 H PHE 6 H PHE 6 2.290 4.348 3.420 31 HA PHE 6 HA PHE 6 3.097 2.529 4.429 32 HB2 PHE 6 2HB PHE 6 3.849 4.413 6.679 33 HB3 PHE 6 1HB PHE 6 4.442 2.767 6.494 34 HD1 PHE 6 1HD PHE 6 4.904 6.202 5.614 35 HD2 PHE 6 2HD PHE 6 5.779 2.216 4.423 36 HE1 PHE 6 1HE PHE 6 6.727 7.034 4.198 37 HE2 PHE 6 2HE PHE 6 7.603 3.039 3.002 38 HZ PHE 6 HZ PHE 6 8.082 5.449 2.883 39 H ARG 7 H ARG 7 0.308 3.517 5.018 40 HA ARG 7 HA ARG 7 -0.248 2.335 7.568 41 HB2 ARG 7 2HB ARG 7 -2.076 3.303 5.370 42 HB3 ARG 7 1HB ARG 7 -2.659 2.585 6.864 43 HG2 ARG 7 2HG ARG 7 -0.990 5.085 6.667 44 HG3 ARG 7 1HG ARG 7 -2.739 5.028 6.903 45 HD2 ARG 7 2HD ARG 7 -0.658 3.894 8.779 46 HD3 ARG 7 1HD ARG 7 -1.561 5.383 9.019 47 HE ARG 7 HE ARG 7 -3.585 3.822 8.900 48 HH11 ARG 7 1HH1 ARG 7 -0.494 2.928 10.416 49 HH12 ARG 7 2HH1 ARG 7 -1.177 1.854 11.530 50 HH21 ARG 7 1HH2 ARG 7 -4.519 2.367 10.407 51 HH22 ARG 7 2HH2 ARG 7 -3.567 1.517 11.539 52 H LYS 8 H LYS 8 -1.272 0.491 7.966 53 HA LYS 8 HA LYS 8 -0.329 -1.767 6.626 54 HB2 LYS 8 2HB LYS 8 -2.733 -1.694 8.431 55 HB3 LYS 8 1HB LYS 8 -1.599 -3.014 8.185 56 HG2 LYS 8 2HG LYS 8 0.161 -1.703 9.258 57 HG3 LYS 8 1HG LYS 8 -0.975 -0.382 9.517 58 HD2 LYS 8 2HD LYS 8 -0.856 -1.568 11.555 59 HD3 LYS 8 1HD LYS 8 -2.392 -2.004 10.815 60 HE2 LYS 8 2HE LYS 8 -1.339 -3.982 11.717 61 HE3 LYS 8 1HE LYS 8 -1.342 -4.083 9.961 62 HZ1 LYS 8 1HZ LYS 8 0.775 -4.736 10.874 63 HZ2 LYS 8 2HZ LYS 8 0.973 -3.225 11.615 64 HZ3 LYS 8 3HZ LYS 8 0.958 -3.357 9.947 65 H CYS 9 H CYS 9 -1.403 -3.324 5.337 66 HA CYS 9 HA CYS 9 -4.111 -2.867 4.537 67 HB2 CYS 9 2HB CYS 9 -3.472 -2.803 2.104 68 HB3 CYS 9 1HB CYS 9 -3.059 -1.351 3.011 69 H ILE 10 H ILE 10 -4.828 -4.602 3.103 70 HA ILE 10 HA ILE 10 -3.347 -7.063 3.591 71 HB ILE 10 HB ILE 10 -6.243 -6.572 2.842 72 HG12 ILE 10 2HG1 ILE 10 -5.751 -6.042 5.170 73 HG13 ILE 10 1HG1 ILE 10 -6.742 -7.490 5.079 74 HG21 ILE 10 1HG2 ILE 10 -4.868 -9.195 3.335 75 HG22 ILE 10 2HG2 ILE 10 -5.475 -8.616 1.784 76 HG23 ILE 10 3HG2 ILE 10 -6.602 -8.975 3.095 77 HD11 ILE 10 1HD1 ILE 10 -5.046 -7.731 6.777 78 HD12 ILE 10 2HD1 ILE 10 -3.778 -7.375 5.614 79 HD13 ILE 10 3HD1 ILE 10 -4.723 -8.856 5.457 80 HA PRO 11 HA PRO 11 -1.925 -6.310 -0.594 81 HB2 PRO 11 2HB PRO 11 -0.954 -9.083 -0.416 82 HB3 PRO 11 1HB PRO 11 -0.065 -7.592 -0.745 83 HG2 PRO 11 2HG PRO 11 0.156 -8.832 1.603 84 HG3 PRO 11 1HG PRO 11 0.126 -7.058 1.503 85 HD2 PRO 11 2HD PRO 11 -2.034 -8.953 2.317 86 HD3 PRO 11 1HD PRO 11 -1.569 -7.371 2.993 87 H ASP 12 H ASP 12 -3.745 -9.287 0.090 88 HA ASP 12 HA ASP 12 -4.030 -9.786 -2.731 89 HB2 ASP 12 2HB ASP 12 -5.388 -11.705 -2.219 90 HB3 ASP 12 1HB ASP 12 -4.059 -11.670 -1.075 91 H ASN 13 H ASN 13 -5.546 -7.746 -0.613 92 HA ASN 13 HA ASN 13 -7.390 -7.051 -2.736 93 HB2 ASN 13 2HB ASN 13 -8.763 -8.267 -1.005 94 HB3 ASN 13 1HB ASN 13 -8.246 -7.076 0.184 95 HD21 ASN 13 1HD2 ASN 13 -10.209 -7.651 -2.597 96 HD22 ASN 13 2HD2 ASN 13 -11.116 -6.185 -2.539 97 H ASP 14 H ASP 14 -5.727 -5.678 -3.144 98 HA ASP 14 HA ASP 14 -4.507 -3.950 -1.314 99 HB2 ASP 14 2HB ASP 14 -3.444 -4.485 -3.394 100 HB3 ASP 14 1HB ASP 14 -4.747 -3.791 -4.323 101 H LYS 15 H LYS 15 -5.420 -2.446 -0.229 102 HA LYS 15 HA LYS 15 -7.207 -0.639 -1.655 103 HB2 LYS 15 2HB LYS 15 -7.051 -1.225 1.305 104 HB3 LYS 15 1HB LYS 15 -7.951 0.125 0.638 105 HG2 LYS 15 2HG LYS 15 -9.393 -1.492 -0.547 106 HG3 LYS 15 1HG LYS 15 -8.500 -2.812 0.221 107 HD2 LYS 15 2HD LYS 15 -9.131 -2.000 2.420 108 HD3 LYS 15 1HD LYS 15 -9.936 -0.609 1.703 109 HE2 LYS 15 2HE LYS 15 -11.577 -2.240 2.351 110 HE3 LYS 15 1HE LYS 15 -11.520 -2.142 0.598 111 HZ1 LYS 15 1HZ LYS 15 -11.664 -4.408 1.418 112 HZ2 LYS 15 2HZ LYS 15 -10.205 -4.235 2.240 113 HZ3 LYS 15 3HZ LYS 15 -10.235 -4.199 0.553 114 H CYS 16 H CYS 16 -5.403 0.458 -2.536 115 HA CYS 16 HA CYS 16 -4.337 2.381 -0.747 116 HB2 CYS 16 2HB CYS 16 -2.820 0.216 -1.381 117 HB3 CYS 16 1HB CYS 16 -2.578 1.180 -2.837 118 H CYS 17 H CYS 17 -3.914 4.281 -2.159 119 HA CYS 17 HA CYS 17 -6.032 4.225 -4.062 120 HB2 CYS 17 2HB CYS 17 -4.365 6.544 -3.150 121 HB3 CYS 17 1HB CYS 17 -5.751 6.672 -4.236 122 H ARG 18 H ARG 18 -2.673 3.733 -4.609 123 HA ARG 18 HA ARG 18 -1.364 3.824 -6.340 124 HB2 ARG 18 2HB ARG 18 -4.014 3.179 -7.519 125 HB3 ARG 18 1HB ARG 18 -2.651 3.417 -8.582 126 HG2 ARG 18 2HG ARG 18 -2.599 1.125 -8.280 127 HG3 ARG 18 1HG ARG 18 -1.523 1.646 -6.990 128 HD2 ARG 18 2HD ARG 18 -3.501 1.598 -5.449 129 HD3 ARG 18 1HD ARG 18 -4.424 0.869 -6.757 130 HE ARG 18 HE ARG 18 -2.818 -0.474 -4.964 131 HH11 ARG 18 1HH1 ARG 18 -3.383 -0.570 -8.477 132 HH12 ARG 18 2HH1 ARG 18 -2.689 -2.099 -8.693 133 HH21 ARG 18 1HH2 ARG 18 -1.939 -2.554 -5.245 134 HH22 ARG 18 2HH2 ARG 18 -1.805 -3.262 -6.804 135 HA PRO 19 HA PRO 19 -0.916 3.761 -9.008 136 HB2 PRO 19 2HB PRO 19 0.853 5.669 -10.307 137 HB3 PRO 19 1HB PRO 19 -0.324 4.597 -11.060 138 HG2 PRO 19 2HG PRO 19 -0.644 7.268 -11.060 139 HG3 PRO 19 1HG PRO 19 -2.024 6.166 -10.931 140 HD2 PRO 19 2HD PRO 19 -0.595 7.653 -8.753 141 HD3 PRO 19 1HD PRO 19 -2.343 7.501 -9.047 142 H ASN 20 H ASN 20 0.314 6.352 -7.248 143 HA ASN 20 HA ASN 20 3.062 5.456 -7.108 144 HB2 ASN 20 2HB ASN 20 1.711 7.523 -5.369 145 HB3 ASN 20 1HB ASN 20 3.436 7.319 -5.632 146 HD21 ASN 20 1HD2 ASN 20 1.880 9.666 -5.997 147 HD22 ASN 20 2HD2 ASN 20 1.999 10.124 -7.654 148 H LEU 21 H LEU 21 0.180 4.865 -5.441 149 HA LEU 21 HA LEU 21 1.576 3.919 -3.022 150 HB2 LEU 21 2HB LEU 21 -1.405 4.401 -3.213 151 HB3 LEU 21 1HB LEU 21 -0.352 4.262 -1.846 152 HG LEU 21 HG LEU 21 0.002 6.594 -3.674 153 HD11 LEU 21 1HD1 LEU 21 -1.661 6.422 -1.169 154 HD12 LEU 21 2HD1 LEU 21 -2.269 6.667 -2.806 155 HD13 LEU 21 3HD1 LEU 21 -1.266 7.899 -2.048 156 HD21 LEU 21 1HD2 LEU 21 1.158 7.491 -1.719 157 HD22 LEU 21 2HD2 LEU 21 1.878 5.969 -2.235 158 HD23 LEU 21 3HD2 LEU 21 0.825 6.008 -0.832 159 H VAL 22 H VAL 22 1.784 1.823 -2.933 160 HA VAL 22 HA VAL 22 -0.381 0.147 -3.919 161 HB VAL 22 HB VAL 22 1.371 0.214 -5.685 162 HG11 VAL 22 1HG1 VAL 22 3.566 -0.793 -5.315 163 HG12 VAL 22 2HG1 VAL 22 3.195 -0.946 -3.598 164 HG13 VAL 22 3HG1 VAL 22 3.318 0.650 -4.334 165 HG21 VAL 22 1HG2 VAL 22 1.172 -2.446 -4.276 166 HG22 VAL 22 2HG2 VAL 22 1.687 -2.217 -5.947 167 HG23 VAL 22 3HG2 VAL 22 0.040 -1.808 -5.467 168 H CYS 23 H CYS 23 -0.674 -1.742 -2.716 169 HA CYS 23 HA CYS 23 0.461 -1.693 -0.098 170 HB2 CYS 23 2HB CYS 23 -1.913 -2.310 -0.572 171 HB3 CYS 23 1HB CYS 23 -1.340 -3.726 -1.441 172 H SER 24 H SER 24 2.575 -2.276 -0.022 173 HA SER 24 HA SER 24 3.747 -4.153 -1.765 174 HB2 SER 24 2HB SER 24 4.935 -2.316 -0.553 175 HB3 SER 24 1HB SER 24 4.692 -3.209 0.948 176 HG SER 24 HG SER 24 6.221 -3.889 -1.308 177 H ARG 25 H ARG 25 3.572 -6.311 -1.643 178 HA ARG 25 HA ARG 25 1.860 -7.426 0.300 179 HB2 ARG 25 2HB ARG 25 2.069 -9.521 -0.842 180 HB3 ARG 25 1HB ARG 25 1.893 -8.224 -2.007 181 HG2 ARG 25 2HG ARG 25 4.316 -8.314 -2.425 182 HG3 ARG 25 1HG ARG 25 4.433 -9.663 -1.296 183 HD2 ARG 25 2HD ARG 25 2.849 -9.582 -3.855 184 HD3 ARG 25 1HD ARG 25 4.325 -10.496 -3.560 185 HE ARG 25 HE ARG 25 2.555 -11.348 -1.650 186 HH11 ARG 25 1HH1 ARG 25 2.596 -11.286 -5.168 187 HH12 ARG 25 2HH1 ARG 25 1.626 -12.659 -5.370 188 HH21 ARG 25 1HH2 ARG 25 1.188 -13.268 -1.886 189 HH22 ARG 25 2HH2 ARG 25 0.816 -13.839 -3.445 190 H LEU 26 H LEU 26 5.297 -7.286 0.135 191 HA LEU 26 HA LEU 26 5.568 -9.355 2.129 192 HB2 LEU 26 2HB LEU 26 7.944 -8.930 2.167 193 HB3 LEU 26 1HB LEU 26 7.378 -9.147 0.523 194 HG LEU 26 HG LEU 26 7.913 -6.447 1.721 195 HD11 LEU 26 1HD1 LEU 26 10.127 -6.558 0.622 196 HD12 LEU 26 2HD1 LEU 26 9.810 -8.236 0.181 197 HD13 LEU 26 3HD1 LEU 26 9.963 -7.782 1.879 198 HD21 LEU 26 1HD2 LEU 26 8.265 -5.836 -0.664 199 HD22 LEU 26 2HD2 LEU 26 6.630 -6.350 -0.305 200 HD23 LEU 26 3HD2 LEU 26 7.739 -7.458 -1.122 201 H HIS 27 H HIS 27 5.685 -5.908 2.042 202 HA HIS 27 HA HIS 27 6.385 -5.694 4.819 203 HB2 HIS 27 2HB HIS 27 5.488 -3.583 2.859 204 HB3 HIS 27 1HB HIS 27 6.030 -3.259 4.497 205 HD1 HIS 27 1HD HIS 27 8.642 -4.140 4.947 206 HD2 HIS 27 2HD HIS 27 7.433 -3.522 1.022 207 HE1 HIS 27 1HE HIS 27 10.751 -3.929 3.601 208 H ARG 28 H ARG 28 3.468 -5.576 2.918 209 HA ARG 28 HA ARG 28 1.315 -5.701 3.377 210 HB2 ARG 28 2HB ARG 28 2.169 -6.190 6.233 211 HB3 ARG 28 1HB ARG 28 0.523 -6.367 5.634 212 HG2 ARG 28 2HG ARG 28 1.252 -8.146 4.140 213 HG3 ARG 28 1HG ARG 28 2.913 -7.943 4.704 214 HD2 ARG 28 2HD ARG 28 0.548 -8.725 6.377 215 HD3 ARG 28 1HD ARG 28 1.827 -9.812 5.833 216 HE ARG 28 HE ARG 28 3.234 -7.985 7.125 217 HH11 ARG 28 1HH1 ARG 28 0.257 -9.617 8.095 218 HH12 ARG 28 2HH1 ARG 28 0.582 -9.525 9.762 219 HH21 ARG 28 1HH2 ARG 28 3.673 -7.847 9.422 220 HH22 ARG 28 2HH2 ARG 28 2.562 -8.510 10.516 221 H TRP 29 H TRP 29 2.747 -3.268 3.371 222 HA TRP 29 HA TRP 29 0.593 -1.680 4.384 223 HB2 TRP 29 2HB TRP 29 2.038 0.091 5.306 224 HB3 TRP 29 1HB TRP 29 2.230 -1.407 6.195 225 HD1 TRP 29 HD TRP 29 4.132 0.458 3.327 226 HE1 TRP 29 1HE TRP 29 6.667 0.176 3.755 227 HE3 TRP 29 3HE TRP 29 3.939 -2.486 7.499 228 HZ2 TRP 29 2HZ TRP 29 8.343 -1.091 5.624 229 HZ3 TRP 29 3HZ TRP 29 6.047 -3.178 8.553 230 HH2 TRP 29 HH TRP 29 8.203 -2.494 7.632 231 H CYS 30 H CYS 30 0.548 0.413 3.422 232 HA CYS 30 HA CYS 30 1.084 0.279 0.626 233 HB2 CYS 30 2HB CYS 30 -0.024 2.368 2.438 234 HB3 CYS 30 1HB CYS 30 0.413 2.742 0.775 235 H LYS 31 H LYS 31 2.850 0.855 -0.386 236 HA LYS 31 HA LYS 31 4.544 2.802 0.966 237 HB2 LYS 31 2HB LYS 31 6.529 1.663 0.328 238 HB3 LYS 31 1HB LYS 31 5.481 0.464 1.035 239 HG2 LYS 31 2HG LYS 31 4.900 -0.384 -1.154 240 HG3 LYS 31 1HG LYS 31 5.854 0.885 -1.915 241 HD2 LYS 31 2HD LYS 31 6.971 -1.211 -0.050 242 HD3 LYS 31 1HD LYS 31 7.055 -1.291 -1.804 243 HE2 LYS 31 2HE LYS 31 8.319 0.846 -0.051 244 HE3 LYS 31 1HE LYS 31 9.155 -0.486 -0.827 245 HZ1 LYS 31 1HZ LYS 31 7.794 1.761 -2.269 246 HZ2 LYS 31 2HZ LYS 31 8.563 0.445 -2.991 247 HZ3 LYS 31 3HZ LYS 31 9.440 1.523 -2.072 248 H TYR 32 H TYR 32 5.958 3.935 -0.528 249 HA TYR 32 HA TYR 32 4.442 4.795 -2.825 250 HB2 TYR 32 2HB TYR 32 7.029 5.853 -1.656 251 HB3 TYR 32 1HB TYR 32 6.043 6.635 -2.883 252 HD1 TYR 32 1HD TYR 32 6.308 5.790 0.681 253 HD2 TYR 32 2HD TYR 32 4.022 7.802 -2.280 254 HE1 TYR 32 1HE TYR 32 5.044 6.913 2.438 255 HE2 TYR 32 2HE TYR 32 2.746 8.924 -0.535 256 HH TYR 32 HH TYR 32 2.191 8.665 1.764 257 H VAL 33 H VAL 33 4.995 4.300 -4.819 258 HA VAL 33 HA VAL 33 7.678 3.183 -5.285 259 HB VAL 33 HB VAL 33 6.776 2.161 -7.383 260 HG11 VAL 33 1HG1 VAL 33 5.539 0.346 -6.286 261 HG12 VAL 33 2HG1 VAL 33 5.392 1.353 -4.842 262 HG13 VAL 33 3HG1 VAL 33 6.980 0.824 -5.387 263 HG21 VAL 33 1HG2 VAL 33 4.338 1.966 -7.678 264 HG22 VAL 33 2HG2 VAL 33 4.869 3.646 -7.755 265 HG23 VAL 33 3HG2 VAL 33 4.093 3.035 -6.295 266 H PHE 34 H PHE 34 6.304 5.947 -5.308 267 HA PHE 34 HA PHE 34 7.869 6.973 -7.468 268 HB2 PHE 34 2HB PHE 34 5.631 6.417 -8.463 269 HB3 PHE 34 1HB PHE 34 4.896 7.519 -7.312 270 HD1 PHE 34 1HD PHE 34 4.823 9.839 -7.740 271 HD2 PHE 34 2HD PHE 34 7.199 7.294 -10.177 272 HE1 PHE 34 1HE PHE 34 5.118 11.670 -9.352 273 HE2 PHE 34 2HE PHE 34 7.504 9.120 -11.795 274 HZ PHE 34 HZ PHE 34 6.461 11.303 -11.392 Start of MODEL 19 1 H1 ASP 1 1HT ASP 1 -8.911 10.401 -2.699 2 H2 ASP 1 2HT ASP 1 -8.178 10.831 -4.135 3 H3 ASP 1 3HT ASP 1 -9.010 11.997 -3.246 4 HA ASP 1 HA ASP 1 -6.603 12.202 -3.024 5 HB2 ASP 1 2HB ASP 1 -8.028 11.244 -0.522 6 HB3 ASP 1 1HB ASP 1 -6.469 12.058 -0.516 7 H CYS 2 H CYS 2 -4.805 11.096 -1.426 8 HA CYS 2 HA CYS 2 -4.722 8.373 -2.396 9 HB2 CYS 2 2HB CYS 2 -2.592 10.392 -1.877 10 HB3 CYS 2 1HB CYS 2 -2.216 8.682 -1.910 11 H LEU 3 H LEU 3 -5.188 6.900 -0.917 12 HA LEU 3 HA LEU 3 -4.482 7.232 1.852 13 HB2 LEU 3 2HB LEU 3 -5.394 4.833 0.275 14 HB3 LEU 3 1HB LEU 3 -5.136 4.822 2.004 15 HG LEU 3 HG LEU 3 -7.212 6.481 0.572 16 HD11 LEU 3 1HD1 LEU 3 -8.797 4.906 1.551 17 HD12 LEU 3 2HD1 LEU 3 -7.456 3.971 2.212 18 HD13 LEU 3 3HD1 LEU 3 -7.670 4.092 0.467 19 HD21 LEU 3 1HD2 LEU 3 -6.724 5.978 3.502 20 HD22 LEU 3 2HD2 LEU 3 -8.074 6.883 2.818 21 HD23 LEU 3 3HD2 LEU 3 -6.429 7.492 2.650 22 H GLY 4 H GLY 4 -2.744 6.359 2.842 23 HA2 GLY 4 2HA GLY 4 -0.991 4.496 1.676 24 HA3 GLY 4 1HA GLY 4 -0.372 6.135 1.480 25 H ALA 5 H ALA 5 0.754 6.964 3.021 26 HA ALA 5 HA ALA 5 1.866 7.269 4.965 27 HB1 ALA 5 1HB ALA 5 0.478 7.632 6.885 28 HB2 ALA 5 2HB ALA 5 -0.849 6.738 6.138 29 HB3 ALA 5 3HB ALA 5 -0.312 8.274 5.444 30 H PHE 6 H PHE 6 1.928 4.528 4.032 31 HA PHE 6 HA PHE 6 2.751 2.510 4.644 32 HB2 PHE 6 2HB PHE 6 3.404 3.903 7.249 33 HB3 PHE 6 1HB PHE 6 4.065 2.368 6.718 34 HD1 PHE 6 1HD PHE 6 4.230 5.982 6.446 35 HD2 PHE 6 2HD PHE 6 5.708 2.307 4.892 36 HE1 PHE 6 1HE PHE 6 6.134 7.179 5.431 37 HE2 PHE 6 2HE PHE 6 7.602 3.496 3.873 38 HZ PHE 6 HZ PHE 6 7.818 5.930 4.145 39 H ARG 7 H ARG 7 -0.103 3.157 5.248 40 HA ARG 7 HA ARG 7 -0.669 1.855 7.749 41 HB2 ARG 7 2HB ARG 7 -2.533 2.481 5.446 42 HB3 ARG 7 1HB ARG 7 -3.042 1.874 7.005 43 HG2 ARG 7 2HG ARG 7 -1.823 4.572 6.415 44 HG3 ARG 7 1HG ARG 7 -3.496 4.231 6.841 45 HD2 ARG 7 2HD ARG 7 -2.554 5.034 8.831 46 HD3 ARG 7 1HD ARG 7 -2.530 3.285 9.034 47 HE ARG 7 HE ARG 7 -0.132 4.484 7.942 48 HH11 ARG 7 1HH1 ARG 7 -1.707 3.241 10.868 49 HH12 ARG 7 2HH1 ARG 7 -0.256 3.191 11.757 50 HH21 ARG 7 1HH2 ARG 7 1.802 4.464 9.191 51 HH22 ARG 7 2HH2 ARG 7 1.765 3.927 10.808 52 H LYS 8 H LYS 8 -1.070 -0.222 8.112 53 HA LYS 8 HA LYS 8 -0.215 -2.138 6.203 54 HB2 LYS 8 2HB LYS 8 -0.844 -3.837 7.832 55 HB3 LYS 8 1HB LYS 8 0.032 -2.532 8.614 56 HG2 LYS 8 2HG LYS 8 -2.123 -1.612 9.408 57 HG3 LYS 8 1HG LYS 8 -2.941 -2.976 8.657 58 HD2 LYS 8 2HD LYS 8 -1.737 -4.525 10.086 59 HD3 LYS 8 1HD LYS 8 -0.852 -3.184 10.815 60 HE2 LYS 8 2HE LYS 8 -3.838 -3.570 10.906 61 HE3 LYS 8 1HE LYS 8 -2.721 -3.931 12.219 62 HZ1 LYS 8 1HZ LYS 8 -3.783 -1.797 12.510 63 HZ2 LYS 8 2HZ LYS 8 -3.198 -1.235 11.043 64 HZ3 LYS 8 3HZ LYS 8 -2.123 -1.592 12.310 65 H CYS 9 H CYS 9 -1.381 -3.738 5.103 66 HA CYS 9 HA CYS 9 -4.252 -3.649 5.040 67 HB2 CYS 9 2HB CYS 9 -4.090 -3.174 2.497 68 HB3 CYS 9 1HB CYS 9 -4.005 -1.818 3.621 69 H ILE 10 H ILE 10 -5.064 -5.230 3.356 70 HA ILE 10 HA ILE 10 -3.375 -7.563 3.288 71 HB ILE 10 HB ILE 10 -6.139 -7.121 2.080 72 HG12 ILE 10 2HG1 ILE 10 -5.363 -8.530 4.647 73 HG13 ILE 10 1HG1 ILE 10 -6.112 -6.941 4.544 74 HG21 ILE 10 1HG2 ILE 10 -4.923 -8.919 0.977 75 HG22 ILE 10 2HG2 ILE 10 -6.252 -9.574 1.937 76 HG23 ILE 10 3HG2 ILE 10 -4.594 -9.680 2.535 77 HD11 ILE 10 1HD1 ILE 10 -7.733 -8.668 5.112 78 HD12 ILE 10 2HD1 ILE 10 -7.342 -9.527 3.622 79 HD13 ILE 10 3HD1 ILE 10 -8.101 -7.938 3.549 80 HA PRO 11 HA PRO 11 -1.581 -6.029 -0.564 81 HB2 PRO 11 2HB PRO 11 -0.562 -8.796 -0.751 82 HB3 PRO 11 1HB PRO 11 0.328 -7.272 -0.756 83 HG2 PRO 11 2HG PRO 11 0.383 -8.876 1.378 84 HG3 PRO 11 1HG PRO 11 0.339 -7.112 1.554 85 HD2 PRO 11 2HD PRO 11 -1.856 -9.110 1.878 86 HD3 PRO 11 1HD PRO 11 -1.472 -7.658 2.835 87 H ASP 12 H ASP 12 -3.476 -8.845 -0.168 88 HA ASP 12 HA ASP 12 -3.737 -9.638 -2.908 89 HB2 ASP 12 2HB ASP 12 -4.009 -11.191 -1.009 90 HB3 ASP 12 1HB ASP 12 -5.442 -10.315 -0.505 91 H ASN 13 H ASN 13 -5.107 -7.174 -1.064 92 HA ASN 13 HA ASN 13 -6.712 -6.298 -3.221 93 HB2 ASN 13 2HB ASN 13 -8.800 -5.960 -1.757 94 HB3 ASN 13 1HB ASN 13 -8.514 -7.590 -2.338 95 HD21 ASN 13 1HD2 ASN 13 -8.461 -5.492 0.426 96 HD22 ASN 13 2HD2 ASN 13 -8.491 -6.713 1.644 97 H ASP 14 H ASP 14 -5.128 -4.798 -3.146 98 HA ASP 14 HA ASP 14 -4.492 -3.385 -0.794 99 HB2 ASP 14 2HB ASP 14 -3.054 -1.965 -2.114 100 HB3 ASP 14 1HB ASP 14 -2.868 -3.628 -2.638 101 H LYS 15 H LYS 15 -5.341 -1.796 0.158 102 HA LYS 15 HA LYS 15 -7.230 -0.081 -1.290 103 HB2 LYS 15 2HB LYS 15 -7.058 -0.704 1.668 104 HB3 LYS 15 1HB LYS 15 -8.161 0.452 0.958 105 HG2 LYS 15 2HG LYS 15 -9.301 -1.348 -0.226 106 HG3 LYS 15 1HG LYS 15 -8.154 -2.517 0.441 107 HD2 LYS 15 2HD LYS 15 -8.880 -1.935 2.710 108 HD3 LYS 15 1HD LYS 15 -10.022 -0.767 2.047 109 HE2 LYS 15 2HE LYS 15 -10.056 -3.720 1.470 110 HE3 LYS 15 1HE LYS 15 -11.046 -2.940 2.701 111 HZ1 LYS 15 1HZ LYS 15 -12.096 -1.647 0.971 112 HZ2 LYS 15 2HZ LYS 15 -12.267 -3.292 0.668 113 HZ3 LYS 15 3HZ LYS 15 -11.165 -2.380 -0.225 114 H CYS 16 H CYS 16 -5.548 1.237 -2.027 115 HA CYS 16 HA CYS 16 -4.457 3.042 -0.058 116 HB2 CYS 16 2HB CYS 16 -2.813 1.707 -2.243 117 HB3 CYS 16 1HB CYS 16 -2.234 2.859 -1.055 118 H CYS 17 H CYS 17 -3.066 4.598 -1.937 119 HA CYS 17 HA CYS 17 -5.147 5.736 -3.483 120 HB2 CYS 17 2HB CYS 17 -3.100 6.957 -2.653 121 HB3 CYS 17 1HB CYS 17 -2.185 6.151 -3.920 122 H ARG 18 H ARG 18 -2.328 3.790 -4.442 123 HA ARG 18 HA ARG 18 -1.670 2.780 -6.255 124 HB2 ARG 18 2HB ARG 18 -3.480 1.296 -5.516 125 HB3 ARG 18 1HB ARG 18 -4.606 2.122 -6.582 126 HG2 ARG 18 2HG ARG 18 -3.407 1.327 -8.512 127 HG3 ARG 18 1HG ARG 18 -2.166 0.602 -7.491 128 HD2 ARG 18 2HD ARG 18 -3.706 -1.112 -8.240 129 HD3 ARG 18 1HD ARG 18 -3.869 -0.875 -6.501 130 HE ARG 18 HE ARG 18 -5.690 0.487 -8.327 131 HH11 ARG 18 1HH1 ARG 18 -5.218 -1.905 -5.733 132 HH12 ARG 18 2HH1 ARG 18 -6.874 -2.202 -5.525 133 HH21 ARG 18 1HH2 ARG 18 -7.940 0.076 -8.040 134 HH22 ARG 18 2HH2 ARG 18 -8.500 -1.030 -6.875 135 HA PRO 19 HA PRO 19 -0.733 2.153 -7.843 136 HB2 PRO 19 2HB PRO 19 0.991 2.636 -9.780 137 HB3 PRO 19 1HB PRO 19 -0.610 1.998 -10.152 138 HG2 PRO 19 2HG PRO 19 0.410 4.790 -10.427 139 HG3 PRO 19 1HG PRO 19 -0.639 3.868 -11.518 140 HD2 PRO 19 2HD PRO 19 -1.496 5.724 -9.605 141 HD3 PRO 19 1HD PRO 19 -2.517 4.508 -10.395 142 H ASN 20 H ASN 20 -0.652 5.359 -7.276 143 HA ASN 20 HA ASN 20 2.048 6.038 -6.802 144 HB2 ASN 20 2HB ASN 20 -0.403 6.948 -5.256 145 HB3 ASN 20 1HB ASN 20 1.182 7.691 -5.140 146 HD21 ASN 20 1HD2 ASN 20 -1.374 8.884 -5.923 147 HD22 ASN 20 2HD2 ASN 20 -1.125 9.493 -7.501 148 H LEU 21 H LEU 21 -0.380 4.798 -4.616 149 HA LEU 21 HA LEU 21 1.684 3.722 -2.803 150 HB2 LEU 21 2HB LEU 21 -1.164 4.654 -2.223 151 HB3 LEU 21 1HB LEU 21 -0.204 3.682 -1.165 152 HG LEU 21 HG LEU 21 -0.353 5.980 -0.504 153 HD11 LEU 21 1HD1 LEU 21 1.337 4.519 0.330 154 HD12 LEU 21 2HD1 LEU 21 2.012 6.133 0.116 155 HD13 LEU 21 3HD1 LEU 21 2.374 4.864 -1.051 156 HD21 LEU 21 1HD2 LEU 21 1.137 7.650 -1.544 157 HD22 LEU 21 2HD2 LEU 21 -0.172 7.155 -2.618 158 HD23 LEU 21 3HD2 LEU 21 1.455 6.519 -2.860 159 H VAL 22 H VAL 22 1.707 1.499 -2.905 160 HA VAL 22 HA VAL 22 -0.888 0.218 -3.358 161 HB VAL 22 HB VAL 22 0.015 -1.566 -4.663 162 HG11 VAL 22 1HG1 VAL 22 -0.623 0.301 -5.974 163 HG12 VAL 22 2HG1 VAL 22 0.790 -0.462 -6.706 164 HG13 VAL 22 3HG1 VAL 22 0.968 1.036 -5.795 165 HG21 VAL 22 1HG2 VAL 22 2.394 -1.680 -5.390 166 HG22 VAL 22 2HG2 VAL 22 2.179 -1.881 -3.652 167 HG23 VAL 22 3HG2 VAL 22 2.755 -0.345 -4.290 168 H CYS 23 H CYS 23 -0.994 -1.964 -2.471 169 HA CYS 23 HA CYS 23 0.387 -1.944 0.066 170 HB2 CYS 23 2HB CYS 23 -2.110 -2.339 -0.199 171 HB3 CYS 23 1HB CYS 23 -1.685 -3.912 -0.866 172 H SER 24 H SER 24 2.279 -2.733 -0.040 173 HA SER 24 HA SER 24 3.287 -4.613 -1.901 174 HB2 SER 24 2HB SER 24 4.647 -2.944 -0.798 175 HB3 SER 24 1HB SER 24 4.248 -3.626 0.768 176 HG SER 24 HG SER 24 5.707 -4.875 -1.308 177 H ARG 25 H ARG 25 3.636 -6.859 -1.636 178 HA ARG 25 HA ARG 25 2.211 -8.071 0.575 179 HB2 ARG 25 2HB ARG 25 2.673 -10.247 -0.473 180 HB3 ARG 25 1HB ARG 25 1.957 -9.137 -1.628 181 HG2 ARG 25 2HG ARG 25 4.132 -8.754 -2.630 182 HG3 ARG 25 1HG ARG 25 4.870 -9.807 -1.413 183 HD2 ARG 25 2HD ARG 25 2.828 -10.635 -3.472 184 HD3 ARG 25 1HD ARG 25 4.558 -10.965 -3.545 185 HE ARG 25 HE ARG 25 3.068 -11.946 -1.232 186 HH11 ARG 25 1HH1 ARG 25 4.717 -12.747 -4.288 187 HH12 ARG 25 2HH1 ARG 25 4.736 -14.421 -3.960 188 HH21 ARG 25 1HH2 ARG 25 3.141 -14.233 -0.840 189 HH22 ARG 25 2HH2 ARG 25 3.863 -15.272 -1.988 190 H LEU 26 H LEU 26 5.289 -7.080 -0.184 191 HA LEU 26 HA LEU 26 6.693 -8.757 1.686 192 HB2 LEU 26 2HB LEU 26 7.842 -7.890 -0.275 193 HB3 LEU 26 1HB LEU 26 7.494 -6.247 0.220 194 HG LEU 26 HG LEU 26 8.946 -6.585 2.203 195 HD11 LEU 26 1HD1 LEU 26 9.620 -9.198 0.868 196 HD12 LEU 26 2HD1 LEU 26 8.789 -8.993 2.410 197 HD13 LEU 26 3HD1 LEU 26 10.470 -8.494 2.243 198 HD21 LEU 26 1HD2 LEU 26 9.794 -5.511 0.204 199 HD22 LEU 26 2HD2 LEU 26 10.217 -7.081 -0.476 200 HD23 LEU 26 3HD2 LEU 26 11.049 -6.491 0.963 201 H HIS 27 H HIS 27 5.936 -5.309 1.475 202 HA HIS 27 HA HIS 27 6.677 -4.877 4.230 203 HB2 HIS 27 2HB HIS 27 5.314 -2.978 2.302 204 HB3 HIS 27 1HB HIS 27 5.974 -2.553 3.865 205 HD1 HIS 27 1HD HIS 27 8.559 -2.214 4.010 206 HD2 HIS 27 2HD HIS 27 7.189 -3.405 0.274 207 HE1 HIS 27 1HE HIS 27 10.443 -1.759 2.407 208 H ARG 28 H ARG 28 3.753 -5.406 2.444 209 HA ARG 28 HA ARG 28 1.638 -5.745 2.952 210 HB2 ARG 28 2HB ARG 28 2.751 -6.285 5.704 211 HB3 ARG 28 1HB ARG 28 1.077 -6.598 5.252 212 HG2 ARG 28 2HG ARG 28 1.828 -8.136 3.519 213 HG3 ARG 28 1HG ARG 28 3.503 -7.811 3.952 214 HD2 ARG 28 2HD ARG 28 3.109 -8.728 6.169 215 HD3 ARG 28 1HD ARG 28 1.419 -9.021 5.748 216 HE ARG 28 HE ARG 28 3.063 -10.239 3.852 217 HH11 ARG 28 1HH1 ARG 28 2.158 -10.635 7.248 218 HH12 ARG 28 2HH1 ARG 28 2.342 -12.324 7.253 219 HH21 ARG 28 1HH2 ARG 28 3.327 -12.557 3.859 220 HH22 ARG 28 2HH2 ARG 28 3.026 -13.442 5.275 221 H TRP 29 H TRP 29 2.639 -3.136 2.972 222 HA TRP 29 HA TRP 29 0.354 -1.900 4.185 223 HB2 TRP 29 2HB TRP 29 1.622 -0.032 5.158 224 HB3 TRP 29 1HB TRP 29 2.086 -1.543 5.908 225 HD1 TRP 29 HD TRP 29 3.540 0.518 2.894 226 HE1 TRP 29 1HE TRP 29 6.088 0.694 3.234 227 HE3 TRP 29 3HE TRP 29 3.964 -2.072 7.254 228 HZ2 TRP 29 2HZ TRP 29 8.003 -0.136 5.103 229 HZ3 TRP 29 3HZ TRP 29 6.201 -2.333 8.259 230 HH2 TRP 29 HH TRP 29 8.167 -1.386 7.203 231 H CYS 30 H CYS 30 0.209 0.373 3.402 232 HA CYS 30 HA CYS 30 0.512 0.465 0.568 233 HB2 CYS 30 2HB CYS 30 -0.196 2.603 2.568 234 HB3 CYS 30 1HB CYS 30 -0.304 2.818 0.834 235 H LYS 31 H LYS 31 2.519 0.593 -0.222 236 HA LYS 31 HA LYS 31 4.445 2.400 1.067 237 HB2 LYS 31 2HB LYS 31 6.191 1.205 -0.107 238 HB3 LYS 31 1HB LYS 31 5.200 0.056 0.778 239 HG2 LYS 31 2HG LYS 31 4.098 -0.584 -1.289 240 HG3 LYS 31 1HG LYS 31 5.008 0.636 -2.170 241 HD2 LYS 31 2HD LYS 31 6.231 -1.733 -0.733 242 HD3 LYS 31 1HD LYS 31 5.900 -1.675 -2.462 243 HE2 LYS 31 2HE LYS 31 8.173 -1.184 -2.342 244 HE3 LYS 31 1HE LYS 31 7.452 0.418 -2.412 245 HZ1 LYS 31 1HZ LYS 31 8.509 -0.963 0.016 246 HZ2 LYS 31 2HZ LYS 31 7.702 0.515 0.070 247 HZ3 LYS 31 3HZ LYS 31 9.139 0.397 -0.747 248 H TYR 32 H TYR 32 5.739 3.807 -0.258 249 HA TYR 32 HA TYR 32 4.220 4.991 -2.403 250 HB2 TYR 32 2HB TYR 32 6.951 5.732 -1.296 251 HB3 TYR 32 1HB TYR 32 5.973 6.719 -2.379 252 HD1 TYR 32 1HD TYR 32 3.716 7.522 -1.536 253 HD2 TYR 32 2HD TYR 32 6.672 5.884 1.033 254 HE1 TYR 32 1HE TYR 32 2.570 8.492 0.371 255 HE2 TYR 32 2HE TYR 32 5.559 6.861 2.961 256 HH TYR 32 HH TYR 32 4.060 8.682 3.457 257 H VAL 33 H VAL 33 4.400 4.312 -4.405 258 HA VAL 33 HA VAL 33 6.590 2.535 -5.035 259 HB VAL 33 HB VAL 33 4.132 3.135 -6.669 260 HG11 VAL 33 1HG1 VAL 33 5.960 2.177 -7.946 261 HG12 VAL 33 2HG1 VAL 33 4.657 1.001 -7.751 262 HG13 VAL 33 3HG1 VAL 33 6.113 0.872 -6.770 263 HG21 VAL 33 1HG2 VAL 33 3.493 2.243 -4.505 264 HG22 VAL 33 2HG2 VAL 33 4.628 0.907 -4.711 265 HG23 VAL 33 3HG2 VAL 33 3.233 1.056 -5.783 266 H PHE 34 H PHE 34 8.250 3.309 -5.936 267 HA PHE 34 HA PHE 34 7.991 5.351 -8.009 268 HB2 PHE 34 2HB PHE 34 10.297 4.884 -6.087 269 HB3 PHE 34 1HB PHE 34 10.364 5.970 -7.464 270 HD1 PHE 34 1HD PHE 34 9.152 8.076 -7.443 271 HD2 PHE 34 2HD PHE 34 9.089 5.470 -4.084 272 HE1 PHE 34 1HE PHE 34 8.304 9.911 -6.041 273 HE2 PHE 34 2HE PHE 34 8.243 7.295 -2.676 274 HZ PHE 34 HZ PHE 34 7.848 9.521 -3.649 Start of MODEL 20 1 H1 ASP 1 1HT ASP 1 -9.794 11.418 -1.621 2 H2 ASP 1 2HT ASP 1 -10.949 11.548 -0.392 3 H3 ASP 1 3HT ASP 1 -10.634 10.054 -1.142 4 HA ASP 1 HA ASP 1 -8.676 11.568 0.448 5 HB2 ASP 1 2HB ASP 1 -10.193 9.029 1.089 6 HB3 ASP 1 1HB ASP 1 -8.832 9.639 2.016 7 H CYS 2 H CYS 2 -6.696 11.097 -0.186 8 HA CYS 2 HA CYS 2 -6.297 8.691 -1.752 9 HB2 CYS 2 2HB CYS 2 -5.334 10.879 -2.522 10 HB3 CYS 2 1HB CYS 2 -4.319 10.889 -1.077 11 H LEU 3 H LEU 3 -5.834 6.904 -0.646 12 HA LEU 3 HA LEU 3 -4.790 7.207 2.065 13 HB2 LEU 3 2HB LEU 3 -5.967 4.766 0.766 14 HB3 LEU 3 1HB LEU 3 -5.574 4.970 2.456 15 HG LEU 3 HG LEU 3 -7.753 6.360 0.930 16 HD11 LEU 3 1HD1 LEU 3 -8.211 4.039 1.405 17 HD12 LEU 3 2HD1 LEU 3 -9.231 5.082 2.401 18 HD13 LEU 3 3HD1 LEU 3 -7.826 4.286 3.109 19 HD21 LEU 3 1HD2 LEU 3 -6.978 6.622 3.842 20 HD22 LEU 3 2HD2 LEU 3 -8.436 7.291 3.111 21 HD23 LEU 3 3HD2 LEU 3 -6.852 7.877 2.608 22 H GLY 4 H GLY 4 -3.242 5.686 2.819 23 HA2 GLY 4 2HA GLY 4 -1.706 3.914 1.439 24 HA3 GLY 4 1HA GLY 4 -0.965 5.487 1.137 25 H ALA 5 H ALA 5 0.106 6.511 2.679 26 HA ALA 5 HA ALA 5 1.393 6.812 4.516 27 HB1 ALA 5 1HB ALA 5 -0.767 7.822 5.059 28 HB2 ALA 5 2HB ALA 5 0.134 7.286 6.480 29 HB3 ALA 5 3HB ALA 5 -1.228 6.332 5.891 30 H PHE 6 H PHE 6 1.523 4.003 3.760 31 HA PHE 6 HA PHE 6 2.399 2.082 4.474 32 HB2 PHE 6 2HB PHE 6 3.153 3.680 6.939 33 HB3 PHE 6 1HB PHE 6 3.839 2.125 6.481 34 HD1 PHE 6 1HD PHE 6 3.893 5.700 5.935 35 HD2 PHE 6 2HD PHE 6 5.239 1.953 4.448 36 HE1 PHE 6 1HE PHE 6 5.583 6.855 4.567 37 HE2 PHE 6 2HE PHE 6 6.926 3.098 3.079 38 HZ PHE 6 HZ PHE 6 7.102 5.548 3.136 39 H ARG 7 H ARG 7 -0.389 2.674 5.074 40 HA ARG 7 HA ARG 7 -1.133 1.558 7.571 41 HB2 ARG 7 2HB ARG 7 -2.595 1.942 4.978 42 HB3 ARG 7 1HB ARG 7 -3.340 1.102 6.325 43 HG2 ARG 7 2HG ARG 7 -2.275 3.913 6.444 44 HG3 ARG 7 1HG ARG 7 -3.962 3.490 6.152 45 HD2 ARG 7 2HD ARG 7 -2.355 2.829 8.632 46 HD3 ARG 7 1HD ARG 7 -3.630 4.036 8.484 47 HE ARG 7 HE ARG 7 -4.626 1.538 7.711 48 HH11 ARG 7 1HH1 ARG 7 -3.695 3.264 10.684 49 HH12 ARG 7 2HH1 ARG 7 -4.628 2.277 11.708 50 HH21 ARG 7 1HH2 ARG 7 -5.884 0.221 9.090 51 HH22 ARG 7 2HH2 ARG 7 -5.925 0.487 10.776 52 H LYS 8 H LYS 8 -1.704 -0.481 8.164 53 HA LYS 8 HA LYS 8 -0.548 -2.607 6.636 54 HB2 LYS 8 2HB LYS 8 -2.215 -2.717 9.159 55 HB3 LYS 8 1HB LYS 8 -1.271 -4.042 8.490 56 HG2 LYS 8 2HG LYS 8 0.773 -2.768 8.827 57 HG3 LYS 8 1HG LYS 8 -0.159 -1.436 9.487 58 HD2 LYS 8 2HD LYS 8 -0.941 -2.884 11.298 59 HD3 LYS 8 1HD LYS 8 0.017 -4.213 10.640 60 HE2 LYS 8 2HE LYS 8 1.088 -1.578 11.643 61 HE3 LYS 8 1HE LYS 8 1.172 -3.114 12.498 62 HZ1 LYS 8 1HZ LYS 8 2.497 -2.468 9.914 63 HZ2 LYS 8 2HZ LYS 8 2.505 -3.980 10.635 64 HZ3 LYS 8 3HZ LYS 8 3.259 -2.695 11.399 65 H CYS 9 H CYS 9 -1.528 -3.192 4.924 66 HA CYS 9 HA CYS 9 -4.449 -3.251 4.754 67 HB2 CYS 9 2HB CYS 9 -3.732 -3.084 2.272 68 HB3 CYS 9 1HB CYS 9 -3.670 -1.648 3.302 69 H ILE 10 H ILE 10 -5.171 -4.775 3.034 70 HA ILE 10 HA ILE 10 -3.883 -7.373 3.185 71 HB ILE 10 HB ILE 10 -6.380 -6.469 1.692 72 HG12 ILE 10 2HG1 ILE 10 -6.190 -7.902 4.353 73 HG13 ILE 10 1HG1 ILE 10 -6.614 -6.208 4.139 74 HG21 ILE 10 1HG2 ILE 10 -5.416 -8.488 0.741 75 HG22 ILE 10 2HG2 ILE 10 -6.928 -8.868 1.564 76 HG23 ILE 10 3HG2 ILE 10 -5.387 -9.251 2.331 77 HD11 ILE 10 1HD1 ILE 10 -8.591 -7.548 4.517 78 HD12 ILE 10 2HD1 ILE 10 -8.180 -8.576 3.144 79 HD13 ILE 10 3HD1 ILE 10 -8.606 -6.886 2.882 80 HA PRO 11 HA PRO 11 -1.500 -6.016 -0.385 81 HB2 PRO 11 2HB PRO 11 -1.164 -8.939 -0.796 82 HB3 PRO 11 1HB PRO 11 0.054 -7.662 -0.704 83 HG2 PRO 11 2HG PRO 11 -0.329 -9.334 1.331 84 HG3 PRO 11 1HG PRO 11 0.030 -7.616 1.609 85 HD2 PRO 11 2HD PRO 11 -2.562 -9.078 1.840 86 HD3 PRO 11 1HD PRO 11 -1.914 -7.742 2.811 87 H ASP 12 H ASP 12 -3.938 -8.547 -0.672 88 HA ASP 12 HA ASP 12 -4.087 -8.051 -3.538 89 HB2 ASP 12 2HB ASP 12 -5.457 -10.145 -1.865 90 HB3 ASP 12 1HB ASP 12 -5.913 -9.846 -3.536 91 H ASN 13 H ASN 13 -5.417 -6.593 -0.948 92 HA ASN 13 HA ASN 13 -7.231 -5.195 -2.644 93 HB2 ASN 13 2HB ASN 13 -8.747 -7.037 -1.872 94 HB3 ASN 13 1HB ASN 13 -8.421 -6.572 -0.208 95 HD21 ASN 13 1HD2 ASN 13 -10.004 -5.624 -3.179 96 HD22 ASN 13 2HD2 ASN 13 -11.008 -4.406 -2.481 97 H ASP 14 H ASP 14 -5.474 -3.779 -2.057 98 HA ASP 14 HA ASP 14 -5.774 -2.741 0.617 99 HB2 ASP 14 2HB ASP 14 -3.853 -1.336 0.218 100 HB3 ASP 14 1HB ASP 14 -3.503 -2.976 -0.274 101 H LYS 15 H LYS 15 -6.127 -0.487 0.908 102 HA LYS 15 HA LYS 15 -7.592 0.642 -1.338 103 HB2 LYS 15 2HB LYS 15 -8.182 0.914 1.627 104 HB3 LYS 15 1HB LYS 15 -9.013 1.811 0.365 105 HG2 LYS 15 2HG LYS 15 -9.914 -0.245 -0.557 106 HG3 LYS 15 1HG LYS 15 -9.011 -1.196 0.621 107 HD2 LYS 15 2HD LYS 15 -10.288 -0.199 2.429 108 HD3 LYS 15 1HD LYS 15 -11.145 0.829 1.280 109 HE2 LYS 15 2HE LYS 15 -12.519 -1.080 1.918 110 HE3 LYS 15 1HE LYS 15 -12.088 -1.156 0.211 111 HZ1 LYS 15 1HZ LYS 15 -11.955 -3.280 1.389 112 HZ2 LYS 15 2HZ LYS 15 -10.732 -2.710 2.368 113 HZ3 LYS 15 3HZ LYS 15 -10.479 -2.896 0.709 114 H CYS 16 H CYS 16 -5.728 1.563 -2.056 115 HA CYS 16 HA CYS 16 -4.813 3.900 -0.679 116 HB2 CYS 16 2HB CYS 16 -2.981 1.595 -1.494 117 HB3 CYS 16 1HB CYS 16 -2.433 3.188 -0.998 118 H CYS 17 H CYS 17 -3.418 5.132 -2.252 119 HA CYS 17 HA CYS 17 -4.775 5.107 -4.763 120 HB2 CYS 17 2HB CYS 17 -2.479 6.849 -3.893 121 HB3 CYS 17 1HB CYS 17 -3.526 7.100 -5.289 122 H ARG 18 H ARG 18 -4.128 3.070 -5.613 123 HA ARG 18 HA ARG 18 -1.406 2.626 -6.401 124 HB2 ARG 18 2HB ARG 18 -3.984 1.295 -7.251 125 HB3 ARG 18 1HB ARG 18 -2.415 0.804 -7.857 126 HG2 ARG 18 2HG ARG 18 -1.762 0.279 -5.502 127 HG3 ARG 18 1HG ARG 18 -3.424 0.637 -5.026 128 HD2 ARG 18 2HD ARG 18 -4.267 -1.094 -6.464 129 HD3 ARG 18 1HD ARG 18 -2.658 -1.409 -7.103 130 HE ARG 18 HE ARG 18 -2.904 -1.737 -4.245 131 HH11 ARG 18 1HH1 ARG 18 -3.261 -3.417 -7.364 132 HH12 ARG 18 2HH1 ARG 18 -2.974 -4.949 -6.709 133 HH21 ARG 18 1HH2 ARG 18 -2.534 -3.719 -3.400 134 HH22 ARG 18 2HH2 ARG 18 -2.511 -5.181 -4.306 135 HA PRO 19 HA PRO 19 -0.400 1.642 -8.035 136 HB2 PRO 19 2HB PRO 19 1.326 1.882 -10.025 137 HB3 PRO 19 1HB PRO 19 -0.279 1.204 -10.313 138 HG2 PRO 19 2HG PRO 19 0.785 3.888 -11.014 139 HG3 PRO 19 1HG PRO 19 -0.416 2.902 -11.863 140 HD2 PRO 19 2HD PRO 19 -0.901 5.052 -10.059 141 HD3 PRO 19 1HD PRO 19 -2.103 3.962 -10.775 142 H ASN 20 H ASN 20 -0.333 4.648 -7.256 143 HA ASN 20 HA ASN 20 2.517 5.168 -7.194 144 HB2 ASN 20 2HB ASN 20 0.160 6.730 -6.127 145 HB3 ASN 20 1HB ASN 20 1.825 7.239 -5.901 146 HD21 ASN 20 1HD2 ASN 20 2.739 6.445 -8.544 147 HD22 ASN 20 2HD2 ASN 20 2.038 7.567 -9.637 148 H LEU 21 H LEU 21 -0.067 4.443 -4.947 149 HA LEU 21 HA LEU 21 1.908 3.753 -2.884 150 HB2 LEU 21 2HB LEU 21 -1.013 4.496 -2.480 151 HB3 LEU 21 1HB LEU 21 0.241 4.272 -1.273 152 HG LEU 21 HG LEU 21 0.325 6.516 -3.288 153 HD11 LEU 21 1HD1 LEU 21 -0.491 6.630 -0.396 154 HD12 LEU 21 2HD1 LEU 21 -1.586 6.780 -1.767 155 HD13 LEU 21 3HD1 LEU 21 -0.334 7.994 -1.501 156 HD21 LEU 21 1HD2 LEU 21 2.484 5.839 -2.444 157 HD22 LEU 21 2HD2 LEU 21 1.893 5.961 -0.786 158 HD23 LEU 21 3HD2 LEU 21 2.023 7.408 -1.785 159 H VAL 22 H VAL 22 1.984 1.625 -2.600 160 HA VAL 22 HA VAL 22 -0.361 0.015 -3.357 161 HB VAL 22 HB VAL 22 2.492 -0.651 -4.152 162 HG11 VAL 22 1HG1 VAL 22 -0.084 -2.032 -4.856 163 HG12 VAL 22 2HG1 VAL 22 1.169 -2.628 -3.768 164 HG13 VAL 22 3HG1 VAL 22 1.512 -2.440 -5.488 165 HG21 VAL 22 1HG2 VAL 22 1.675 1.220 -5.494 166 HG22 VAL 22 2HG2 VAL 22 0.242 0.292 -5.938 167 HG23 VAL 22 3HG2 VAL 22 1.837 -0.238 -6.469 168 H CYS 23 H CYS 23 -0.677 -1.769 -2.068 169 HA CYS 23 HA CYS 23 0.774 -1.963 0.376 170 HB2 CYS 23 2HB CYS 23 -1.665 -2.447 -0.068 171 HB3 CYS 23 1HB CYS 23 -1.155 -3.962 -0.804 172 H SER 24 H SER 24 2.823 -2.594 0.184 173 HA SER 24 HA SER 24 3.830 -4.315 -1.813 174 HB2 SER 24 2HB SER 24 5.239 -2.676 -0.763 175 HB3 SER 24 1HB SER 24 4.936 -3.369 0.826 176 HG SER 24 HG SER 24 6.565 -4.272 -1.265 177 H ARG 25 H ARG 25 4.328 -6.450 -1.770 178 HA ARG 25 HA ARG 25 2.937 -8.226 -0.008 179 HB2 ARG 25 2HB ARG 25 5.171 -8.764 -1.990 180 HB3 ARG 25 1HB ARG 25 4.172 -9.991 -1.230 181 HG2 ARG 25 2HG ARG 25 3.072 -7.816 -2.985 182 HG3 ARG 25 1HG ARG 25 3.546 -9.408 -3.580 183 HD2 ARG 25 2HD ARG 25 1.914 -10.485 -2.272 184 HD3 ARG 25 1HD ARG 25 1.580 -9.032 -1.334 185 HE ARG 25 HE ARG 25 0.985 -8.246 -3.789 186 HH11 ARG 25 1HH1 ARG 25 0.042 -11.212 -2.094 187 HH12 ARG 25 2HH1 ARG 25 -1.553 -11.213 -2.721 188 HH21 ARG 25 1HH2 ARG 25 -1.157 -8.304 -4.671 189 HH22 ARG 25 2HH2 ARG 25 -2.212 -9.600 -4.288 190 H LEU 26 H LEU 26 6.136 -6.975 -0.337 191 HA LEU 26 HA LEU 26 7.398 -8.718 1.556 192 HB2 LEU 26 2HB LEU 26 8.329 -6.091 0.429 193 HB3 LEU 26 1HB LEU 26 9.317 -7.252 1.282 194 HG LEU 26 HG LEU 26 8.033 -7.679 -1.409 195 HD11 LEU 26 1HD1 LEU 26 10.907 -7.228 -0.643 196 HD12 LEU 26 2HD1 LEU 26 9.848 -6.049 -1.413 197 HD13 LEU 26 3HD1 LEU 26 10.287 -7.525 -2.269 198 HD21 LEU 26 1HD2 LEU 26 9.932 -9.420 0.170 199 HD22 LEU 26 2HD2 LEU 26 9.410 -9.713 -1.487 200 HD23 LEU 26 3HD2 LEU 26 8.238 -9.776 -0.172 201 H HIS 27 H HIS 27 6.561 -5.275 1.506 202 HA HIS 27 HA HIS 27 7.307 -5.014 4.280 203 HB2 HIS 27 2HB HIS 27 6.210 -2.977 2.342 204 HB3 HIS 27 1HB HIS 27 6.671 -2.621 3.999 205 HD1 HIS 27 1HD HIS 27 9.172 -2.243 4.457 206 HD2 HIS 27 2HD HIS 27 8.375 -3.648 0.624 207 HE1 HIS 27 1HE HIS 27 11.305 -2.040 3.201 208 H ARG 28 H ARG 28 4.496 -5.803 2.640 209 HA ARG 28 HA ARG 28 2.364 -5.974 3.085 210 HB2 ARG 28 2HB ARG 28 1.741 -7.009 5.276 211 HB3 ARG 28 1HB ARG 28 3.071 -7.796 4.463 212 HG2 ARG 28 2HG ARG 28 4.642 -6.720 5.994 213 HG3 ARG 28 1HG ARG 28 3.296 -5.913 6.797 214 HD2 ARG 28 2HD ARG 28 3.985 -7.864 8.040 215 HD3 ARG 28 1HD ARG 28 2.363 -8.081 7.389 216 HE ARG 28 HE ARG 28 4.596 -9.162 5.867 217 HH11 ARG 28 1HH1 ARG 28 1.785 -9.768 7.905 218 HH12 ARG 28 2HH1 ARG 28 1.814 -11.451 7.731 219 HH21 ARG 28 1HH2 ARG 28 4.678 -11.443 5.605 220 HH22 ARG 28 2HH2 ARG 28 3.543 -12.451 6.366 221 H TRP 29 H TRP 29 3.061 -3.399 3.021 222 HA TRP 29 HA TRP 29 0.754 -2.276 4.230 223 HB2 TRP 29 2HB TRP 29 1.903 -0.341 5.274 224 HB3 TRP 29 1HB TRP 29 2.316 -1.843 6.069 225 HD1 TRP 29 HD TRP 29 4.059 -0.152 3.006 226 HE1 TRP 29 1HE TRP 29 6.573 0.188 3.625 227 HE3 TRP 29 3HE TRP 29 3.975 -1.825 7.821 228 HZ2 TRP 29 2HZ TRP 29 8.221 -0.172 5.828 229 HZ3 TRP 29 3HZ TRP 29 6.058 -1.781 9.120 230 HH2 TRP 29 HH TRP 29 8.137 -0.968 8.134 231 H CYS 30 H CYS 30 0.356 -0.102 3.357 232 HA CYS 30 HA CYS 30 1.026 0.013 0.581 233 HB2 CYS 30 2HB CYS 30 -0.463 1.884 2.377 234 HB3 CYS 30 1HB CYS 30 -0.198 2.240 0.683 235 H LYS 31 H LYS 31 2.972 0.436 0.025 236 HA LYS 31 HA LYS 31 4.340 2.690 1.310 237 HB2 LYS 31 2HB LYS 31 6.424 1.643 0.895 238 HB3 LYS 31 1HB LYS 31 5.394 0.389 1.524 239 HG2 LYS 31 2HG LYS 31 5.067 -0.510 -0.710 240 HG3 LYS 31 1HG LYS 31 6.042 0.793 -1.389 241 HD2 LYS 31 2HD LYS 31 7.020 -1.273 0.591 242 HD3 LYS 31 1HD LYS 31 7.319 -1.314 -1.140 243 HE2 LYS 31 2HE LYS 31 8.260 0.892 0.726 244 HE3 LYS 31 1HE LYS 31 9.241 -0.464 0.196 245 HZ1 LYS 31 1HZ LYS 31 9.010 0.338 -2.091 246 HZ2 LYS 31 2HZ LYS 31 9.713 1.488 -1.112 247 HZ3 LYS 31 3HZ LYS 31 8.119 1.673 -1.574 248 H TYR 32 H TYR 32 5.963 3.693 -0.227 249 HA TYR 32 HA TYR 32 4.599 4.444 -2.660 250 HB2 TYR 32 2HB TYR 32 7.205 5.360 -1.391 251 HB3 TYR 32 1HB TYR 32 6.548 6.018 -2.879 252 HD1 TYR 32 1HD TYR 32 5.660 5.532 0.728 253 HD2 TYR 32 2HD TYR 32 5.184 7.876 -2.782 254 HE1 TYR 32 1HE TYR 32 4.397 7.180 2.016 255 HE2 TYR 32 2HE TYR 32 3.916 9.540 -1.508 256 HH TYR 32 HH TYR 32 2.579 9.636 0.575 257 H VAL 33 H VAL 33 5.182 3.643 -4.624 258 HA VAL 33 HA VAL 33 7.430 1.829 -4.573 259 HB VAL 33 HB VAL 33 6.484 0.749 -6.589 260 HG11 VAL 33 1HG1 VAL 33 4.601 0.874 -4.240 261 HG12 VAL 33 2HG1 VAL 33 6.000 -0.186 -4.404 262 HG13 VAL 33 3HG1 VAL 33 4.614 -0.386 -5.474 263 HG21 VAL 33 1HG2 VAL 33 4.173 1.221 -7.261 264 HG22 VAL 33 2HG2 VAL 33 5.214 2.627 -7.486 265 HG23 VAL 33 3HG2 VAL 33 4.115 2.553 -6.110 266 H PHE 34 H PHE 34 9.020 2.047 -5.781 267 HA PHE 34 HA PHE 34 9.153 4.309 -7.649 268 HB2 PHE 34 2HB PHE 34 11.362 3.166 -5.898 269 HB3 PHE 34 1HB PHE 34 11.549 4.487 -7.044 270 HD1 PHE 34 1HD PHE 34 10.844 6.691 -6.491 271 HD2 PHE 34 2HD PHE 34 10.129 3.485 -3.808 272 HE1 PHE 34 1HE PHE 34 10.291 8.301 -4.718 273 HE2 PHE 34 2HE PHE 34 9.572 5.084 -2.033 274 HZ PHE 34 HZ PHE 34 9.653 7.498 -2.482
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