NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
3561 | 1dv5 | 4603 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ALA 2 H ALA 2 -3.330 -17.482 4.623 2 HA ALA 2 HA ALA 2 -1.581 -17.227 3.216 3 1HB ALA 2 1HB ALA 2 -2.685 -14.918 2.653 4 2HB ALA 2 2HB ALA 2 -1.439 -14.256 3.737 5 3HB ALA 2 3HB ALA 2 -0.962 -15.169 2.286 6 H ASP 3 H ASP 3 0.812 -15.917 3.562 7 HA ASP 3 HA ASP 3 1.411 -16.676 6.300 8 1HB ASP 3 2HB ASP 3 2.993 -16.567 3.721 9 2HB ASP 3 1HB ASP 3 3.857 -16.469 5.242 10 H GLU 4 H GLU 4 3.698 -15.332 6.910 11 HA GLU 4 HA GLU 4 2.797 -12.651 7.093 12 1HB GLU 4 2HB GLU 4 4.290 -14.228 8.716 13 2HB GLU 4 1HB GLU 4 5.591 -13.391 7.893 14 1HG GLU 4 2HG GLU 4 4.442 -11.189 8.459 15 2HG GLU 4 1HG GLU 4 3.280 -12.093 9.411 16 H ALA 5 H ALA 5 4.268 -14.344 4.616 17 HA ALA 5 HA ALA 5 6.271 -12.469 3.857 18 1HB ALA 5 1HB ALA 5 6.660 -14.613 3.040 19 2HB ALA 5 2HB ALA 5 4.944 -14.898 2.668 20 3HB ALA 5 3HB ALA 5 5.917 -13.836 1.622 21 H ILE 6 H ILE 6 2.831 -12.488 3.806 22 HA ILE 6 HA ILE 6 2.669 -10.815 1.443 23 HB ILE 6 HB ILE 6 0.814 -12.370 3.126 24 1HG1 ILE 6 2HG1 ILE 6 0.926 -11.676 0.176 25 2HG1 ILE 6 1HG1 ILE 6 1.545 -13.137 0.921 26 1HG2 ILE 6 1HG2 ILE 6 -1.074 -10.892 1.983 27 2HG2 ILE 6 2HG2 ILE 6 -0.422 -10.514 3.595 28 3HG2 ILE 6 3HG2 ILE 6 0.159 -9.622 2.169 29 1HD1 ILE 6 1HD1 ILE 6 -1.089 -13.029 1.862 30 2HD1 ILE 6 2HD1 ILE 6 -1.220 -12.442 0.186 31 3HD1 ILE 6 3HD1 ILE 6 -0.503 -14.037 0.517 32 H LYS 7 H LYS 7 2.117 -10.633 5.015 33 HA LYS 7 HA LYS 7 1.420 -7.907 4.975 34 1HB LYS 7 2HB LYS 7 1.248 -9.908 6.795 35 2HB LYS 7 1HB LYS 7 2.648 -9.061 7.421 36 1HG LYS 7 2HG LYS 7 0.971 -6.941 6.843 37 2HG LYS 7 1HG LYS 7 -0.194 -8.175 7.277 38 1HD LYS 7 2HD LYS 7 2.235 -7.704 9.035 39 2HD LYS 7 1HD LYS 7 0.844 -6.646 9.165 40 1HE LYS 7 2HE LYS 7 -0.622 -8.663 9.553 41 2HE LYS 7 1HE LYS 7 0.799 -9.685 9.488 42 1HZ LYS 7 1HZ LYS 7 -0.142 -8.142 11.624 43 2HZ LYS 7 2HZ LYS 7 1.058 -9.249 11.615 44 3HZ LYS 7 3HZ LYS 7 1.384 -7.687 11.265 45 H ASN 8 H ASN 8 4.514 -9.694 5.204 46 HA ASN 8 HA ASN 8 5.993 -7.406 5.897 47 1HB ASN 8 2HB ASN 8 6.542 -10.037 6.025 48 2HB ASN 8 1HB ASN 8 7.219 -9.760 4.432 49 1HD2 ASN 8 1HD2 ASN 8 8.917 -10.593 6.244 50 2HD2 ASN 8 2HD2 ASN 8 9.977 -9.348 6.816 51 H GLY 9 H GLY 9 5.756 -9.437 2.870 52 1HA GLY 9 2HA GLY 9 7.268 -7.943 1.154 53 2HA GLY 9 1HA GLY 9 5.861 -8.880 0.690 54 H VAL 10 H VAL 10 3.753 -7.510 1.962 55 HA VAL 10 HA VAL 10 3.256 -5.466 0.165 56 HB VAL 10 HB VAL 10 2.072 -6.398 2.749 57 1HG1 VAL 10 1HG1 VAL 10 1.248 -3.882 1.263 58 2HG1 VAL 10 2HG1 VAL 10 0.244 -4.711 2.477 59 3HG1 VAL 10 3HG1 VAL 10 1.811 -4.008 2.947 60 1HG2 VAL 10 1HG2 VAL 10 0.882 -7.639 1.331 61 2HG2 VAL 10 2HG2 VAL 10 0.178 -6.153 0.649 62 3HG2 VAL 10 3HG2 VAL 10 1.657 -6.844 -0.061 63 H LEU 11 H LEU 11 4.317 -5.310 3.631 64 HA LEU 11 HA LEU 11 4.462 -2.509 3.680 65 1HB LEU 11 2HB LEU 11 4.665 -4.589 5.483 66 2HB LEU 11 1HB LEU 11 6.290 -3.934 5.464 67 HG LEU 11 HG LEU 11 3.721 -2.570 6.252 68 1HD1 LEU 11 1HD1 LEU 11 5.798 -3.833 7.670 69 2HD1 LEU 11 2HD1 LEU 11 6.007 -2.086 7.940 70 3HD1 LEU 11 3HD1 LEU 11 4.455 -2.867 8.325 71 1HD2 LEU 11 1HD2 LEU 11 5.921 -0.753 6.452 72 2HD2 LEU 11 2HD2 LEU 11 5.803 -1.333 4.773 73 3HD2 LEU 11 3HD2 LEU 11 4.393 -0.578 5.554 74 H ASP 12 H ASP 12 6.885 -5.094 2.975 75 HA ASP 12 HA ASP 12 9.067 -3.451 2.802 76 1HB ASP 12 2HB ASP 12 8.635 -6.116 2.517 77 2HB ASP 12 1HB ASP 12 8.782 -5.699 0.821 78 H ILE 13 H ILE 13 6.708 -4.566 0.267 79 HA ILE 13 HA ILE 13 7.929 -3.135 -1.835 80 HB ILE 13 HB ILE 13 5.463 -4.704 -1.389 81 1HG1 ILE 13 2HG1 ILE 13 7.023 -4.743 -3.923 82 2HG1 ILE 13 1HG1 ILE 13 7.867 -5.255 -2.475 83 1HG2 ILE 13 1HG2 ILE 13 4.562 -3.990 -3.626 84 2HG2 ILE 13 2HG2 ILE 13 4.394 -2.791 -2.320 85 3HG2 ILE 13 3HG2 ILE 13 5.666 -2.596 -3.549 86 1HD1 ILE 13 1HD1 ILE 13 6.246 -6.886 -3.992 87 2HD1 ILE 13 2HD1 ILE 13 6.640 -7.176 -2.281 88 3HD1 ILE 13 3HD1 ILE 13 5.120 -6.360 -2.718 89 H LEU 14 H LEU 14 6.169 -2.128 0.921 90 HA LEU 14 HA LEU 14 4.948 0.142 -0.373 91 1HB LEU 14 2HB LEU 14 4.667 -1.300 2.093 92 2HB LEU 14 1HB LEU 14 4.920 0.397 2.444 93 HG LEU 14 HG LEU 14 2.565 -0.028 2.325 94 1HD1 LEU 14 1HD1 LEU 14 2.249 1.312 -0.080 95 2HD1 LEU 14 2HD1 LEU 14 2.508 2.047 1.520 96 3HD1 LEU 14 3HD1 LEU 14 3.893 1.756 0.439 97 1HD2 LEU 14 1HD2 LEU 14 3.260 -1.468 -0.204 98 2HD2 LEU 14 2HD2 LEU 14 2.175 -1.941 1.125 99 3HD2 LEU 14 3HD2 LEU 14 1.657 -0.709 -0.052 100 H ALA 15 H ALA 15 7.371 -0.282 2.312 101 HA ALA 15 HA ALA 15 8.228 2.341 2.319 102 1HB ALA 15 1HB ALA 15 9.906 -0.127 2.907 103 2HB ALA 15 2HB ALA 15 10.098 1.504 3.595 104 3HB ALA 15 3HB ALA 15 8.675 0.521 4.018 105 H ASP 16 H ASP 16 8.922 -0.328 0.096 106 HA ASP 16 HA ASP 16 11.264 0.800 -0.953 107 1HB ASP 16 2HB ASP 16 10.280 -1.633 -1.136 108 2HB ASP 16 1HB ASP 16 9.361 -1.004 -2.489 109 H LEU 17 H LEU 17 7.745 0.894 -1.740 110 HA LEU 17 HA LEU 17 7.962 2.180 -4.211 111 1HB LEU 17 2HB LEU 17 5.972 1.060 -2.745 112 2HB LEU 17 1HB LEU 17 5.603 2.759 -2.533 113 HG LEU 17 HG LEU 17 5.968 1.430 -5.232 114 1HD1 LEU 17 1HD1 LEU 17 3.259 2.274 -4.495 115 2HD1 LEU 17 2HD1 LEU 17 3.831 0.776 -5.269 116 3HD1 LEU 17 3HD1 LEU 17 3.891 0.942 -3.497 117 1HD2 LEU 17 1HD2 LEU 17 4.446 3.961 -4.896 118 2HD2 LEU 17 2HD2 LEU 17 6.215 4.049 -4.725 119 3HD2 LEU 17 3HD2 LEU 17 5.498 3.412 -6.224 120 H THR 18 H THR 18 7.280 3.531 -0.906 121 HA THR 18 HA THR 18 7.346 6.206 -1.729 122 HB THR 18 HB THR 18 7.507 6.610 0.725 123 HG1 THR 18 1HG THR 18 7.928 4.621 2.004 124 1HG2 THR 18 1HG2 THR 18 5.946 4.012 0.432 125 2HG2 THR 18 2HG2 THR 18 5.565 5.422 1.449 126 3HG2 THR 18 3HG2 THR 18 5.350 5.513 -0.316 127 H GLY 19 H GLY 19 9.922 3.881 -1.084 128 1HA GLY 19 2HA GLY 19 12.123 4.065 -1.583 129 2HA GLY 19 1HA GLY 19 11.860 5.700 -2.156 130 H SER 20 H SER 20 10.547 5.076 1.010 131 HA SER 20 HA SER 20 12.976 6.125 2.221 132 1HB SER 20 2HB SER 20 10.134 7.111 2.732 133 2HB SER 20 1HB SER 20 11.530 7.586 3.678 134 HG SER 20 HG SER 20 11.277 7.991 0.820 135 H ASP 21 H ASP 21 12.629 6.008 4.811 136 HA ASP 21 HA ASP 21 11.454 3.382 5.279 137 1HB ASP 21 2HB ASP 21 14.054 3.992 5.596 138 2HB ASP 21 1HB ASP 21 13.492 4.616 7.134 139 H ASP 22 H ASP 22 9.358 4.574 5.686 140 HA ASP 22 HA ASP 22 9.393 5.730 8.356 141 1HB ASP 22 2HB ASP 22 8.889 7.176 6.023 142 2HB ASP 22 1HB ASP 22 7.273 6.738 6.540 143 H VAL 23 H VAL 23 7.558 4.217 5.627 144 HA VAL 23 HA VAL 23 5.303 3.572 7.246 145 HB VAL 23 HB VAL 23 5.092 4.001 4.879 146 1HG1 VAL 23 1HG1 VAL 23 7.454 2.550 4.620 147 2HG1 VAL 23 2HG1 VAL 23 6.223 1.505 3.871 148 3HG1 VAL 23 3HG1 VAL 23 6.443 3.175 3.295 149 1HG2 VAL 23 1HG2 VAL 23 4.415 1.196 4.625 150 2HG2 VAL 23 2HG2 VAL 23 3.999 1.798 6.248 151 3HG2 VAL 23 3HG2 VAL 23 3.348 2.610 4.804 152 H LYS 24 H LYS 24 8.415 2.091 6.428 153 HA LYS 24 HA LYS 24 7.859 -0.556 6.904 154 1HB LYS 24 2HB LYS 24 9.976 0.345 5.999 155 2HB LYS 24 1HB LYS 24 10.387 0.979 7.580 156 1HG LYS 24 2HG LYS 24 9.913 -1.558 8.339 157 2HG LYS 24 1HG LYS 24 10.266 -1.891 6.656 158 1HD LYS 24 2HD LYS 24 12.174 -0.033 8.020 159 2HD LYS 24 1HD LYS 24 12.182 -1.683 8.611 160 1HE LYS 24 2HE LYS 24 12.532 -0.847 5.692 161 2HE LYS 24 1HE LYS 24 13.819 -1.373 6.758 162 1HZ LYS 24 1HZ LYS 24 11.778 -3.265 6.814 163 2HZ LYS 24 2HZ LYS 24 12.135 -2.949 5.251 164 3HZ LYS 24 3HZ LYS 24 13.310 -3.441 6.273 165 H LYS 25 H LYS 25 7.800 2.163 9.094 166 HA LYS 25 HA LYS 25 7.648 0.279 11.344 167 1HB LYS 25 2HB LYS 25 9.554 1.857 11.450 168 2HB LYS 25 1HB LYS 25 8.441 3.207 11.375 169 1HG LYS 25 2HG LYS 25 8.003 1.092 13.490 170 2HG LYS 25 1HG LYS 25 9.294 2.255 13.725 171 1HD LYS 25 2HD LYS 25 7.480 4.068 13.162 172 2HD LYS 25 1HD LYS 25 6.315 2.791 13.449 173 1HE LYS 25 2HE LYS 25 7.699 2.430 15.700 174 2HE LYS 25 1HE LYS 25 8.243 4.069 15.404 175 1HZ LYS 25 1HZ LYS 25 6.234 3.965 16.738 176 2HZ LYS 25 2HZ LYS 25 5.975 4.782 15.347 177 3HZ LYS 25 3HZ LYS 25 5.421 3.255 15.511 178 H ASN 26 H ASN 26 6.542 3.682 10.758 179 HA ASN 26 HA ASN 26 4.313 3.517 12.253 180 1HB ASN 26 2HB ASN 26 5.293 5.217 10.042 181 2HB ASN 26 1HB ASN 26 3.542 5.140 10.069 182 1HD2 ASN 26 1HD2 ASN 26 2.387 5.871 11.848 183 2HD2 ASN 26 2HD2 ASN 26 3.064 6.923 13.046 184 H LEU 27 H LEU 27 2.117 2.844 11.883 185 HA LEU 27 HA LEU 27 1.708 1.385 9.365 186 1HB LEU 27 2HB LEU 27 0.808 0.797 12.177 187 2HB LEU 27 1HB LEU 27 0.023 0.084 10.782 188 HG LEU 27 HG LEU 27 3.000 -0.177 11.163 189 1HD1 LEU 27 1HD1 LEU 27 2.420 -1.059 13.203 190 2HD1 LEU 27 2HD1 LEU 27 0.826 -1.617 12.637 191 3HD1 LEU 27 3HD1 LEU 27 2.298 -2.500 12.164 192 1HD2 LEU 27 1HD2 LEU 27 2.098 -2.497 10.058 193 2HD2 LEU 27 2HD2 LEU 27 0.936 -1.322 9.397 194 3HD2 LEU 27 3HD2 LEU 27 2.682 -1.091 9.137 195 H ASP 28 H ASP 28 1.326 4.280 9.850 196 HA ASP 28 HA ASP 28 -1.308 4.395 8.838 197 1HB ASP 28 2HB ASP 28 -0.980 4.693 11.665 198 2HB ASP 28 1HB ASP 28 -1.250 6.307 11.038 199 H LEU 29 H LEU 29 1.519 5.080 8.147 200 HA LEU 29 HA LEU 29 1.656 7.959 8.368 201 1HB LEU 29 2HB LEU 29 3.651 6.620 8.700 202 2HB LEU 29 1HB LEU 29 3.485 5.915 7.104 203 HG LEU 29 HG LEU 29 3.532 8.724 6.726 204 1HD1 LEU 29 1HD1 LEU 29 5.636 7.779 8.687 205 2HD1 LEU 29 2HD1 LEU 29 5.762 9.269 7.721 206 3HD1 LEU 29 3HD1 LEU 29 4.446 9.085 8.905 207 1HD2 LEU 29 1HD2 LEU 29 5.917 8.020 5.820 208 2HD2 LEU 29 2HD2 LEU 29 5.267 6.383 6.073 209 3HD2 LEU 29 3HD2 LEU 29 4.418 7.520 5.000 210 H ASN 30 H ASN 30 0.116 8.968 7.130 211 HA ASN 30 HA ASN 30 -1.137 8.173 4.978 212 1HB ASN 30 2HB ASN 30 0.118 10.959 5.051 213 2HB ASN 30 1HB ASN 30 -1.421 10.513 4.341 214 1HD2 ASN 30 1HD2 ASN 30 -2.487 8.869 6.264 215 2HD2 ASN 30 2HD2 ASN 30 -2.835 9.761 7.708 216 H LEU 31 H LEU 31 -0.542 7.424 2.934 217 HA LEU 31 HA LEU 31 2.208 7.779 2.115 218 1HB LEU 31 2HB LEU 31 -0.072 6.188 0.933 219 2HB LEU 31 1HB LEU 31 1.569 6.198 0.320 220 HG LEU 31 HG LEU 31 1.248 5.506 3.195 221 1HD1 LEU 31 1HD1 LEU 31 -0.500 4.304 1.410 222 2HD1 LEU 31 2HD1 LEU 31 0.848 3.147 1.527 223 3HD1 LEU 31 3HD1 LEU 31 -0.004 3.673 2.999 224 1HD2 LEU 31 1HD2 LEU 31 3.453 5.451 2.380 225 2HD2 LEU 31 2HD2 LEU 31 2.943 3.748 2.468 226 3HD2 LEU 31 3HD2 LEU 31 2.978 4.587 0.898 227 H PHE 32 H PHE 32 -0.588 9.605 1.931 228 HA PHE 32 HA PHE 32 0.215 10.684 -0.681 229 1HB PHE 32 2HB PHE 32 -2.412 10.267 0.803 230 2HB PHE 32 1HB PHE 32 -2.309 11.623 -0.303 231 HD1 PHE 32 1HD PHE 32 -1.459 7.981 -0.277 232 HD2 PHE 32 2HD PHE 32 -3.048 11.261 -2.450 233 HE1 PHE 32 1HE PHE 32 -1.986 6.453 -2.198 234 HE2 PHE 32 2HE PHE 32 -3.574 9.734 -4.371 235 HZ PHE 32 HZ PHE 32 -3.037 7.348 -4.222 236 H GLU 33 H GLU 33 -1.081 11.469 2.612 237 HA GLU 33 HA GLU 33 -0.769 14.231 2.245 238 1HB GLU 33 2HB GLU 33 -1.924 12.517 4.163 239 2HB GLU 33 1HB GLU 33 -0.664 13.359 5.043 240 1HG GLU 33 2HG GLU 33 -2.095 15.226 3.307 241 2HG GLU 33 1HG GLU 33 -3.230 14.361 4.324 242 H THR 34 H THR 34 1.476 11.680 2.749 243 HA THR 34 HA THR 34 3.408 13.410 4.093 244 HB THR 34 HB THR 34 3.508 10.454 3.289 245 HG1 THR 34 1HG THR 34 3.024 10.338 5.669 246 1HG2 THR 34 1HG2 THR 34 5.767 11.178 3.769 247 2HG2 THR 34 2HG2 THR 34 5.216 12.232 5.093 248 3HG2 THR 34 3HG2 THR 34 5.163 10.463 5.284 249 H GLY 35 H GLY 35 2.405 12.522 0.923 250 1HA GLY 35 2HA GLY 35 3.232 13.397 -1.024 251 2HA GLY 35 1HA GLY 35 4.667 13.953 -0.188 252 H LEU 36 H LEU 36 4.509 10.910 0.978 253 HA LEU 36 HA LEU 36 6.628 9.950 -0.506 254 1HB LEU 36 2HB LEU 36 4.664 8.809 1.415 255 2HB LEU 36 1HB LEU 36 5.624 7.685 0.474 256 HG LEU 36 HG LEU 36 6.603 9.776 2.424 257 1HD1 LEU 36 1HD1 LEU 36 7.719 7.179 2.813 258 2HD1 LEU 36 2HD1 LEU 36 6.638 8.107 3.880 259 3HD1 LEU 36 3HD1 LEU 36 5.955 7.017 2.650 260 1HD2 LEU 36 1HD2 LEU 36 8.346 10.043 1.025 261 2HD2 LEU 36 2HD2 LEU 36 8.872 8.483 1.703 262 3HD2 LEU 36 3HD2 LEU 36 8.014 8.532 0.144 263 H LEU 37 H LEU 37 3.080 9.483 -0.912 264 HA LEU 37 HA LEU 37 3.699 8.264 -3.514 265 1HB LEU 37 2HB LEU 37 2.564 6.926 -1.516 266 2HB LEU 37 1HB LEU 37 1.122 7.713 -2.124 267 HG LEU 37 HG LEU 37 2.541 6.605 -4.355 268 1HD1 LEU 37 1HD1 LEU 37 2.774 4.326 -3.859 269 2HD1 LEU 37 2HD1 LEU 37 3.521 5.165 -2.478 270 3HD1 LEU 37 3HD1 LEU 37 1.889 4.474 -2.322 271 1HD2 LEU 37 1HD2 LEU 37 -0.132 6.296 -3.047 272 2HD2 LEU 37 2HD2 LEU 37 0.288 6.859 -4.683 273 3HD2 LEU 37 3HD2 LEU 37 0.362 5.125 -4.291 274 H ASP 38 H ASP 38 1.709 8.546 -5.067 275 HA ASP 38 HA ASP 38 0.451 11.105 -4.573 276 1HB ASP 38 2HB ASP 38 2.594 10.622 -6.475 277 2HB ASP 38 1HB ASP 38 1.129 11.000 -7.360 278 H SER 39 H SER 39 0.937 8.309 -6.853 279 HA SER 39 HA SER 39 -1.603 7.372 -6.708 280 1HB SER 39 2HB SER 39 -2.572 9.305 -7.696 281 2HB SER 39 1HB SER 39 -1.266 9.488 -8.849 282 HG SER 39 HG SER 39 -3.324 8.592 -9.719 283 H MET 40 H MET 40 0.993 8.211 -9.097 284 HA MET 40 HA MET 40 0.719 5.997 -10.690 285 1HB MET 40 2HB MET 40 2.206 8.151 -10.911 286 2HB MET 40 1HB MET 40 3.394 7.286 -9.956 287 1HG MET 40 2HG MET 40 3.838 5.727 -11.648 288 2HG MET 40 1HG MET 40 2.234 5.854 -12.341 289 1HE MET 40 1HE MET 40 2.180 8.171 -14.878 290 2HE MET 40 2HE MET 40 1.308 7.517 -13.470 291 3HE MET 40 3HE MET 40 1.907 9.193 -13.446 292 H GLY 41 H GLY 41 2.189 6.358 -7.483 293 1HA GLY 41 2HA GLY 41 3.883 4.147 -7.441 294 2HA GLY 41 1HA GLY 41 3.083 4.869 -6.059 295 H THR 42 H THR 42 0.435 4.411 -6.291 296 HA THR 42 HA THR 42 0.067 1.816 -5.533 297 HB THR 42 HB THR 42 -1.560 4.145 -6.352 298 HG1 THR 42 1HG THR 42 -2.371 3.542 -4.328 299 1HG2 THR 42 1HG2 THR 42 -3.669 2.851 -6.572 300 2HG2 THR 42 2HG2 THR 42 -2.568 2.442 -7.910 301 3HG2 THR 42 3HG2 THR 42 -2.750 1.327 -6.534 302 H VAL 43 H VAL 43 -0.166 3.167 -8.868 303 HA VAL 43 HA VAL 43 -1.159 0.977 -10.149 304 HB VAL 43 HB VAL 43 1.000 2.879 -11.080 305 1HG1 VAL 43 1HG1 VAL 43 -0.905 1.868 -13.068 306 2HG1 VAL 43 2HG1 VAL 43 0.869 2.000 -13.141 307 3HG1 VAL 43 3HG1 VAL 43 0.112 0.592 -12.357 308 1HG2 VAL 43 1HG2 VAL 43 -0.580 4.448 -10.855 309 2HG2 VAL 43 2HG2 VAL 43 -1.434 3.644 -12.195 310 3HG2 VAL 43 3HG2 VAL 43 -1.839 3.237 -10.511 311 H GLN 44 H GLN 44 2.298 1.684 -9.318 312 HA GLN 44 HA GLN 44 3.240 -0.687 -10.438 313 1HB GLN 44 2HB GLN 44 4.623 1.348 -9.923 314 2HB GLN 44 1HB GLN 44 4.476 0.995 -8.213 315 1HG GLN 44 2HG GLN 44 5.901 -0.842 -8.316 316 2HG GLN 44 1HG GLN 44 5.442 -1.249 -9.958 317 1HE2 GLN 44 1HE2 GLN 44 7.495 -1.420 -10.726 318 2HE2 GLN 44 2HE2 GLN 44 8.572 -0.082 -10.951 319 H LEU 45 H LEU 45 2.695 0.255 -6.963 320 HA LEU 45 HA LEU 45 3.337 -2.084 -5.765 321 1HB LEU 45 2HB LEU 45 2.757 -0.796 -4.079 322 2HB LEU 45 1HB LEU 45 1.867 0.279 -5.139 323 HG LEU 45 HG LEU 45 -0.066 -1.423 -4.944 324 1HD1 LEU 45 1HD1 LEU 45 -0.106 -2.773 -2.916 325 2HD1 LEU 45 2HD1 LEU 45 1.244 -3.252 -3.972 326 3HD1 LEU 45 3HD1 LEU 45 1.555 -2.264 -2.525 327 1HD2 LEU 45 1HD2 LEU 45 0.484 0.899 -3.664 328 2HD2 LEU 45 2HD2 LEU 45 -1.017 -0.032 -3.451 329 3HD2 LEU 45 3HD2 LEU 45 0.309 -0.204 -2.277 330 H LEU 46 H LEU 46 0.290 -1.266 -7.500 331 HA LEU 46 HA LEU 46 -1.105 -3.570 -6.801 332 1HB LEU 46 2HB LEU 46 -1.384 -1.324 -8.574 333 2HB LEU 46 1HB LEU 46 -1.865 -2.791 -9.404 334 HG LEU 46 HG LEU 46 -2.947 -1.990 -6.692 335 1HD1 LEU 46 1HD1 LEU 46 -3.867 -1.252 -9.456 336 2HD1 LEU 46 2HD1 LEU 46 -5.035 -1.427 -8.125 337 3HD1 LEU 46 3HD1 LEU 46 -3.715 -0.239 -8.001 338 1HD2 LEU 46 1HD2 LEU 46 -4.839 -3.550 -7.861 339 2HD2 LEU 46 2HD2 LEU 46 -3.350 -4.277 -8.515 340 3HD2 LEU 46 3HD2 LEU 46 -3.578 -4.146 -6.754 341 H LEU 47 H LEU 47 1.206 -2.874 -9.478 342 HA LEU 47 HA LEU 47 0.878 -5.189 -10.914 343 1HB LEU 47 2HB LEU 47 2.451 -2.993 -11.067 344 2HB LEU 47 1HB LEU 47 3.640 -4.188 -10.591 345 HG LEU 47 HG LEU 47 3.621 -3.987 -12.988 346 1HD1 LEU 47 1HD1 LEU 47 3.253 -6.408 -11.598 347 2HD1 LEU 47 2HD1 LEU 47 2.288 -6.539 -13.088 348 3HD1 LEU 47 3HD1 LEU 47 4.025 -6.159 -13.183 349 1HD2 LEU 47 1HD2 LEU 47 1.574 -4.632 -14.302 350 2HD2 LEU 47 2HD2 LEU 47 0.651 -4.524 -12.784 351 3HD2 LEU 47 3HD2 LEU 47 1.467 -3.082 -13.435 352 H GLU 48 H GLU 48 2.819 -4.583 -7.941 353 HA GLU 48 HA GLU 48 3.765 -7.276 -7.968 354 1HB GLU 48 2HB GLU 48 4.391 -4.792 -6.576 355 2HB GLU 48 1HB GLU 48 4.250 -6.105 -5.424 356 1HG GLU 48 2HG GLU 48 5.947 -6.238 -7.960 357 2HG GLU 48 1HG GLU 48 6.579 -5.815 -6.382 358 H LEU 49 H LEU 49 0.990 -5.524 -6.792 359 HA LEU 49 HA LEU 49 0.419 -7.435 -4.705 360 1HB LEU 49 2HB LEU 49 -0.134 -4.794 -5.043 361 2HB LEU 49 1HB LEU 49 -1.645 -5.513 -5.565 362 HG LEU 49 HG LEU 49 -1.795 -6.730 -3.405 363 1HD1 LEU 49 1HD1 LEU 49 -0.061 -5.278 -1.750 364 2HD1 LEU 49 2HD1 LEU 49 0.035 -7.002 -2.179 365 3HD1 LEU 49 3HD1 LEU 49 0.928 -5.796 -3.137 366 1HD2 LEU 49 1HD2 LEU 49 -1.797 -4.317 -2.078 367 2HD2 LEU 49 2HD2 LEU 49 -1.962 -3.830 -3.783 368 3HD2 LEU 49 3HD2 LEU 49 -3.127 -4.969 -3.066 369 H GLN 50 H GLN 50 0.196 -7.337 -8.085 370 HA GLN 50 HA GLN 50 -2.123 -9.103 -8.005 371 1HB GLN 50 2HB GLN 50 -2.332 -7.007 -9.396 372 2HB GLN 50 1HB GLN 50 -1.007 -7.572 -10.394 373 1HG GLN 50 2HG GLN 50 -2.262 -9.466 -11.187 374 2HG GLN 50 1HG GLN 50 -3.472 -9.295 -9.931 375 1HE2 GLN 50 1HE2 GLN 50 -5.027 -7.691 -10.047 376 2HE2 GLN 50 2HE2 GLN 50 -5.397 -6.831 -11.504 377 H SER 51 H SER 51 1.004 -9.451 -7.629 378 HA SER 51 HA SER 51 1.200 -11.607 -9.587 379 1HB SER 51 2HB SER 51 3.247 -9.637 -8.571 380 2HB SER 51 1HB SER 51 3.789 -11.240 -9.026 381 HG SER 51 HG SER 51 3.856 -10.379 -10.996 382 H GLN 52 H GLN 52 2.500 -10.474 -6.374 383 HA GLN 52 HA GLN 52 2.896 -13.193 -5.590 384 1HB GLN 52 2HB GLN 52 3.251 -10.574 -4.065 385 2HB GLN 52 1HB GLN 52 3.719 -12.149 -3.453 386 1HG GLN 52 2HG GLN 52 4.748 -11.444 -6.179 387 2HG GLN 52 1HG GLN 52 5.408 -10.515 -4.847 388 1HE2 GLN 52 1HE2 GLN 52 6.946 -11.349 -3.623 389 2HE2 GLN 52 2HE2 GLN 52 7.507 -12.988 -3.647 390 H PHE 53 H PHE 53 0.429 -10.705 -5.315 391 HA PHE 53 HA PHE 53 -0.995 -12.416 -3.398 392 1HB PHE 53 2HB PHE 53 -1.445 -9.437 -3.958 393 2HB PHE 53 1HB PHE 53 -1.964 -10.336 -2.546 394 HD1 PHE 53 1HD PHE 53 1.133 -9.237 -4.302 395 HD2 PHE 53 2HD PHE 53 -0.689 -10.257 -0.608 396 HE1 PHE 53 1HE PHE 53 3.205 -8.516 -3.081 397 HE2 PHE 53 2HE PHE 53 1.383 -9.536 0.612 398 HZ PHE 53 HZ PHE 53 3.305 -8.675 -0.639 399 H GLY 54 H GLY 54 -0.820 -11.313 -6.616 400 1HA GLY 54 2HA GLY 54 -2.314 -11.138 -8.308 401 2HA GLY 54 1HA GLY 54 -2.947 -12.621 -7.623 402 H VAL 55 H VAL 55 -2.968 -9.262 -6.260 403 HA VAL 55 HA VAL 55 -5.655 -9.507 -5.447 404 HB VAL 55 HB VAL 55 -3.733 -8.074 -4.522 405 1HG1 VAL 55 1HG1 VAL 55 -3.617 -5.771 -5.353 406 2HG1 VAL 55 2HG1 VAL 55 -3.164 -6.930 -6.626 407 3HG1 VAL 55 3HG1 VAL 55 -4.772 -6.168 -6.648 408 1HG2 VAL 55 1HG2 VAL 55 -5.996 -6.234 -4.577 409 2HG2 VAL 55 2HG2 VAL 55 -6.509 -7.917 -4.314 410 3HG2 VAL 55 3HG2 VAL 55 -5.317 -7.170 -3.224 411 H ASP 56 H ASP 56 -7.405 -7.906 -6.148 412 HA ASP 56 HA ASP 56 -7.172 -7.435 -9.012 413 1HB ASP 56 2HB ASP 56 -9.035 -9.159 -7.578 414 2HB ASP 56 1HB ASP 56 -9.924 -7.869 -8.362 415 H ALA 57 H ALA 57 -6.753 -5.665 -6.636 416 HA ALA 57 HA ALA 57 -9.028 -4.162 -6.043 417 1HB ALA 57 1HB ALA 57 -6.105 -3.309 -6.081 418 2HB ALA 57 2HB ALA 57 -7.422 -2.545 -5.159 419 3HB ALA 57 3HB ALA 57 -6.892 -4.196 -4.754 420 HA PRO 58 HA PRO 58 -9.509 -1.775 -9.619 421 1HB PRO 58 2HB PRO 58 -10.923 0.348 -8.640 422 2HB PRO 58 1HB PRO 58 -11.657 -1.195 -9.028 423 1HG PRO 58 2HG PRO 58 -11.025 -0.060 -6.373 424 2HG PRO 58 1HG PRO 58 -12.117 -1.371 -6.775 425 1HD PRO 58 2HD PRO 58 -9.491 -1.611 -5.646 426 2HD PRO 58 1HD PRO 58 -10.537 -2.922 -6.156 427 H VAL 59 H VAL 59 -9.558 0.848 -10.206 428 HA VAL 59 HA VAL 59 -7.323 2.101 -8.918 429 HB VAL 59 HB VAL 59 -7.117 1.022 -11.730 430 1HG1 VAL 59 1HG1 VAL 59 -5.082 2.304 -12.017 431 2HG1 VAL 59 2HG1 VAL 59 -6.423 3.411 -11.643 432 3HG1 VAL 59 3HG1 VAL 59 -5.240 2.991 -10.382 433 1HG2 VAL 59 1HG2 VAL 59 -6.381 -0.597 -10.155 434 2HG2 VAL 59 2HG2 VAL 59 -4.910 0.165 -10.806 435 3HG2 VAL 59 3HG2 VAL 59 -5.510 0.623 -9.193 436 H SER 60 H SER 60 -9.652 1.947 -11.665 437 HA SER 60 HA SER 60 -9.684 4.281 -12.740 438 1HB SER 60 2HB SER 60 -11.725 2.378 -12.040 439 2HB SER 60 1HB SER 60 -12.397 3.978 -11.797 440 HG SER 60 HG SER 60 -11.950 2.664 -14.141 441 H GLU 61 H GLU 61 -11.511 3.843 -9.613 442 HA GLU 61 HA GLU 61 -10.375 6.201 -8.554 443 1HB GLU 61 2HB GLU 61 -12.768 6.497 -10.129 444 2HB GLU 61 1HB GLU 61 -13.198 6.774 -8.452 445 1HG GLU 61 2HG GLU 61 -12.408 8.889 -8.789 446 2HG GLU 61 1HG GLU 61 -10.817 8.172 -8.622 447 H PHE 62 H PHE 62 -9.890 4.269 -7.124 448 HA PHE 62 HA PHE 62 -12.133 3.221 -5.657 449 1HB PHE 62 2HB PHE 62 -10.143 2.064 -4.455 450 2HB PHE 62 1HB PHE 62 -10.263 1.737 -6.173 451 HD1 PHE 62 1HD PHE 62 -8.249 1.707 -7.269 452 HD2 PHE 62 2HD PHE 62 -8.747 4.414 -4.040 453 HE1 PHE 62 1HE PHE 62 -5.897 2.523 -7.590 454 HE2 PHE 62 2HE PHE 62 -6.395 5.230 -4.361 455 HZ PHE 62 HZ PHE 62 -4.998 4.274 -6.132 456 H ASP 63 H ASP 63 -11.162 2.947 -3.071 457 HA ASP 63 HA ASP 63 -11.532 5.627 -2.154 458 1HB ASP 63 2HB ASP 63 -12.589 3.488 -1.163 459 2HB ASP 63 1HB ASP 63 -11.011 3.120 -0.498 460 H ARG 64 H ARG 64 -9.412 6.516 -2.884 461 HA ARG 64 HA ARG 64 -6.991 5.484 -2.471 462 1HB ARG 64 2HB ARG 64 -6.288 8.005 -2.091 463 2HB ARG 64 1HB ARG 64 -7.019 7.545 -3.616 464 1HG ARG 64 2HG ARG 64 -8.711 9.009 -3.261 465 2HG ARG 64 1HG ARG 64 -9.171 8.142 -1.810 466 1HD ARG 64 2HD ARG 64 -6.982 9.518 -0.871 467 2HD ARG 64 1HD ARG 64 -7.547 10.639 -2.094 468 HE ARG 64 HE ARG 64 -8.954 9.887 0.383 469 1HH1 ARG 64 2HH2 ARG 64 -9.214 11.393 -2.786 470 2HH1 ARG 64 1HH2 ARG 64 -10.633 12.299 -2.382 471 1HH2 ARG 64 2HH1 ARG 64 -10.826 11.082 0.918 472 2HH2 ARG 64 1HH1 ARG 64 -11.557 12.121 -0.259 473 H LYS 65 H LYS 65 -9.248 6.676 -0.044 474 HA LYS 65 HA LYS 65 -7.473 7.308 2.003 475 1HB LYS 65 2HB LYS 65 -9.614 8.042 2.395 476 2HB LYS 65 1HB LYS 65 -10.362 6.573 1.799 477 1HG LYS 65 2HG LYS 65 -10.218 5.506 3.836 478 2HG LYS 65 1HG LYS 65 -8.644 6.183 4.202 479 1HD LYS 65 2HD LYS 65 -10.922 8.130 4.153 480 2HD LYS 65 1HD LYS 65 -10.948 6.958 5.456 481 1HE LYS 65 2HE LYS 65 -9.673 8.689 6.408 482 2HE LYS 65 1HE LYS 65 -8.420 7.625 5.800 483 1HZ LYS 65 1HZ LYS 65 -9.492 9.878 4.254 484 2HZ LYS 65 2HZ LYS 65 -8.162 9.986 5.198 485 3HZ LYS 65 3HZ LYS 65 -8.169 8.985 3.907 486 H GLU 66 H GLU 66 -8.722 4.196 0.777 487 HA GLU 66 HA GLU 66 -7.682 2.772 3.008 488 1HB GLU 66 2HB GLU 66 -9.644 1.890 1.892 489 2HB GLU 66 1HB GLU 66 -8.846 1.905 0.331 490 1HG GLU 66 2HG GLU 66 -7.484 0.047 0.851 491 2HG GLU 66 1HG GLU 66 -7.608 0.304 2.581 492 H TRP 67 H TRP 67 -6.551 3.850 -0.159 493 HA TRP 67 HA TRP 67 -4.206 2.111 0.064 494 1HB TRP 67 2HB TRP 67 -4.915 3.868 -2.274 495 2HB TRP 67 1HB TRP 67 -3.820 2.501 -2.225 496 HD1 TRP 67 HD TRP 67 -7.532 3.313 -2.616 497 HE1 TRP 67 1HE TRP 67 -8.936 1.178 -3.274 498 HE3 TRP 67 3HE TRP 67 -3.780 -0.034 -1.858 499 HZ2 TRP 67 2HZ TRP 67 -8.333 -1.609 -3.400 500 HZ3 TRP 67 3HZ TRP 67 -4.272 -2.443 -2.270 501 HH2 TRP 67 HH TRP 67 -6.456 -3.248 -3.016 502 H ASP 68 H ASP 68 -5.049 4.678 1.649 503 HA ASP 68 HA ASP 68 -2.963 6.466 0.788 504 1HB ASP 68 2HB ASP 68 -4.798 7.746 1.430 505 2HB ASP 68 1HB ASP 68 -5.326 6.582 2.629 506 H THR 69 H THR 69 -3.855 4.152 3.367 507 HA THR 69 HA THR 69 -1.264 4.671 4.671 508 HB THR 69 HB THR 69 -2.682 3.482 6.624 509 HG1 THR 69 1HG THR 69 -4.923 3.869 6.242 510 1HG2 THR 69 1HG2 THR 69 -2.875 6.367 5.662 511 2HG2 THR 69 2HG2 THR 69 -3.779 5.823 7.096 512 3HG2 THR 69 3HG2 THR 69 -2.002 5.730 7.075 513 HA PRO 70 HA PRO 70 -0.163 0.594 3.919 514 1HB PRO 70 2HB PRO 70 1.313 -0.090 6.115 515 2HB PRO 70 1HB PRO 70 1.941 0.892 4.806 516 1HG PRO 70 2HG PRO 70 1.094 1.732 7.510 517 2HG PRO 70 1HG PRO 70 2.100 2.590 6.360 518 1HD PRO 70 2HD PRO 70 -0.656 3.114 6.955 519 2HD PRO 70 1HD PRO 70 0.317 3.893 5.724 520 H ASN 71 H ASN 71 -1.512 1.020 7.128 521 HA ASN 71 HA ASN 71 -2.077 -1.641 7.544 522 1HB ASN 71 2HB ASN 71 -2.629 0.884 8.808 523 2HB ASN 71 1HB ASN 71 -4.168 0.055 8.668 524 1HD2 ASN 71 1HD2 ASN 71 -2.142 0.668 10.880 525 2HD2 ASN 71 2HD2 ASN 71 -1.959 -0.823 11.742 526 H LYS 72 H LYS 72 -4.248 1.080 6.436 527 HA LYS 72 HA LYS 72 -6.502 -0.373 5.928 528 1HB LYS 72 2HB LYS 72 -5.413 2.230 5.195 529 2HB LYS 72 1HB LYS 72 -6.418 1.572 3.920 530 1HG LYS 72 2HG LYS 72 -8.310 1.311 5.404 531 2HG LYS 72 1HG LYS 72 -7.324 1.578 6.828 532 1HD LYS 72 2HD LYS 72 -7.080 3.833 4.975 533 2HD LYS 72 1HD LYS 72 -8.764 3.530 5.352 534 1HE LYS 72 2HE LYS 72 -6.540 3.885 7.420 535 2HE LYS 72 1HE LYS 72 -7.705 5.116 6.974 536 1HZ LYS 72 1HZ LYS 72 -9.449 3.571 7.692 537 2HZ LYS 72 2HZ LYS 72 -8.311 2.523 8.216 538 3HZ LYS 72 3HZ LYS 72 -8.446 3.995 8.909 539 H ILE 73 H ILE 73 -3.457 -0.241 4.115 540 HA ILE 73 HA ILE 73 -4.608 -1.533 1.817 541 HB ILE 73 HB ILE 73 -1.880 -0.584 2.618 542 1HG1 ILE 73 2HG1 ILE 73 -3.787 0.068 0.355 543 2HG1 ILE 73 1HG1 ILE 73 -3.390 1.080 1.729 544 1HG2 ILE 73 1HG2 ILE 73 -2.458 -2.818 0.845 545 2HG2 ILE 73 2HG2 ILE 73 -1.624 -1.491 0.002 546 3HG2 ILE 73 3HG2 ILE 73 -0.901 -2.212 1.459 547 1HD1 ILE 73 1HD1 ILE 73 -2.017 0.886 -0.788 548 2HD1 ILE 73 2HD1 ILE 73 -1.627 1.934 0.598 549 3HD1 ILE 73 3HD1 ILE 73 -0.911 0.308 0.483 550 H ILE 74 H ILE 74 -2.242 -2.403 4.433 551 HA ILE 74 HA ILE 74 -1.807 -4.996 3.723 552 HB ILE 74 HB ILE 74 -1.706 -3.412 6.207 553 1HG1 ILE 74 2HG1 ILE 74 0.256 -5.403 5.042 554 2HG1 ILE 74 1HG1 ILE 74 0.151 -3.735 4.513 555 1HG2 ILE 74 1HG2 ILE 74 -1.080 -5.522 7.502 556 2HG2 ILE 74 2HG2 ILE 74 -2.811 -5.214 7.229 557 3HG2 ILE 74 3HG2 ILE 74 -1.955 -6.419 6.239 558 1HD1 ILE 74 1HD1 ILE 74 1.732 -3.455 6.173 559 2HD1 ILE 74 2HD1 ILE 74 0.276 -3.295 7.185 560 3HD1 ILE 74 3HD1 ILE 74 1.143 -4.848 7.113 561 H ALA 75 H ALA 75 -4.742 -3.509 4.975 562 HA ALA 75 HA ALA 75 -5.895 -6.055 5.704 563 1HB ALA 75 1HB ALA 75 -7.129 -4.703 7.002 564 2HB ALA 75 2HB ALA 75 -6.332 -3.283 6.281 565 3HB ALA 75 3HB ALA 75 -7.820 -3.934 5.553 566 H LYS 76 H LYS 76 -5.934 -3.685 3.020 567 HA LYS 76 HA LYS 76 -8.142 -4.839 1.692 568 1HB LYS 76 2HB LYS 76 -7.196 -2.492 1.429 569 2HB LYS 76 1HB LYS 76 -5.917 -3.197 0.461 570 1HG LYS 76 2HG LYS 76 -7.744 -2.406 -0.996 571 2HG LYS 76 1HG LYS 76 -7.598 -4.149 -1.108 572 1HD LYS 76 2HD LYS 76 -9.544 -4.524 0.227 573 2HD LYS 76 1HD LYS 76 -9.521 -2.900 0.884 574 1HE LYS 76 2HE LYS 76 -10.400 -1.937 -1.087 575 2HE LYS 76 1HE LYS 76 -9.839 -3.248 -2.104 576 1HZ LYS 76 1HZ LYS 76 -12.293 -3.120 -1.454 577 2HZ LYS 76 2HZ LYS 76 -11.560 -4.579 -1.446 578 3HZ LYS 76 3HZ LYS 76 -11.823 -3.790 -0.041 579 H VAL 77 H VAL 77 -4.631 -5.469 1.767 580 HA VAL 77 HA VAL 77 -4.695 -7.190 -0.504 581 HB VAL 77 HB VAL 77 -2.685 -6.706 1.700 582 1HG1 VAL 77 1HG1 VAL 77 -2.813 -8.881 -0.167 583 2HG1 VAL 77 2HG1 VAL 77 -1.443 -7.830 -0.599 584 3HG1 VAL 77 3HG1 VAL 77 -1.559 -8.512 1.041 585 1HG2 VAL 77 1HG2 VAL 77 -2.727 -4.757 0.441 586 2HG2 VAL 77 2HG2 VAL 77 -1.462 -5.698 -0.385 587 3HG2 VAL 77 3HG2 VAL 77 -3.102 -5.614 -1.073 588 H GLU 78 H GLU 78 -5.070 -7.514 3.037 589 HA GLU 78 HA GLU 78 -4.912 -10.341 2.935 590 1HB GLU 78 2HB GLU 78 -5.800 -8.375 5.082 591 2HB GLU 78 1HB GLU 78 -5.810 -10.110 5.336 592 1HG GLU 78 2HG GLU 78 -3.290 -8.803 4.287 593 2HG GLU 78 1HG GLU 78 -3.675 -8.650 5.990 594 H GLN 79 H GLN 79 -7.408 -7.890 2.507 595 HA GLN 79 HA GLN 79 -9.468 -9.907 2.789 596 1HB GLN 79 2HB GLN 79 -9.393 -6.909 2.813 597 2HB GLN 79 1HB GLN 79 -10.856 -7.652 2.198 598 1HG GLN 79 2HG GLN 79 -11.441 -8.555 4.252 599 2HG GLN 79 1HG GLN 79 -9.777 -8.821 4.735 600 1HE2 GLN 79 1HE2 GLN 79 -11.822 -7.698 6.329 601 2HE2 GLN 79 2HE2 GLN 79 -11.392 -6.074 6.745 602 H ALA 80 H ALA 80 -7.470 -9.924 0.564 603 HA ALA 80 HA ALA 80 -9.388 -9.649 -1.644 604 1HB ALA 80 1HB ALA 80 -8.024 -8.050 -2.463 605 2HB ALA 80 2HB ALA 80 -6.768 -8.397 -1.249 606 3HB ALA 80 3HB ALA 80 -6.841 -9.348 -2.753 607 H GLN 81 H GLN 81 -6.397 -11.222 -0.350 608 HA GLN 81 HA GLN 81 -5.992 -13.110 -2.189 609 1HB GLN 81 2HB GLN 81 -5.903 -13.452 0.841 610 2HB GLN 81 1HB GLN 81 -5.157 -14.558 -0.296 611 1HG GLN 81 2HG GLN 81 -4.461 -11.629 0.166 612 2HG GLN 81 1HG GLN 81 -3.435 -13.023 0.435 613 1HE2 GLN 81 1HE2 GLN 81 -4.987 -10.986 -1.952 614 2HE2 GLN 81 2HE2 GLN 81 -3.998 -11.403 -3.312 Start of MODEL 2 1 H ALA 2 H ALA 2 5.685 -18.161 8.809 2 HA ALA 2 HA ALA 2 4.475 -20.400 8.531 3 1HB ALA 2 1HB ALA 2 2.484 -18.775 10.167 4 2HB ALA 2 2HB ALA 2 2.202 -20.381 9.451 5 3HB ALA 2 3HB ALA 2 3.393 -20.186 10.760 6 H ASP 3 H ASP 3 3.084 -17.044 8.741 7 HA ASP 3 HA ASP 3 3.091 -16.975 5.873 8 1HB ASP 3 2HB ASP 3 0.511 -16.275 7.313 9 2HB ASP 3 1HB ASP 3 0.752 -16.547 5.598 10 H GLU 4 H GLU 4 4.650 -15.232 6.273 11 HA GLU 4 HA GLU 4 3.332 -12.794 7.116 12 1HB GLU 4 2HB GLU 4 4.886 -14.002 8.936 13 2HB GLU 4 1HB GLU 4 6.170 -13.229 8.027 14 1HG GLU 4 2HG GLU 4 4.907 -11.024 8.263 15 2HG GLU 4 1HG GLU 4 3.778 -11.843 9.324 16 H ALA 5 H ALA 5 4.520 -14.336 4.617 17 HA ALA 5 HA ALA 5 6.597 -12.545 3.758 18 1HB ALA 5 1HB ALA 5 5.692 -14.032 1.567 19 2HB ALA 5 2HB ALA 5 7.045 -14.453 2.645 20 3HB ALA 5 3HB ALA 5 5.418 -15.103 2.962 21 H ILE 6 H ILE 6 3.126 -12.605 3.816 22 HA ILE 6 HA ILE 6 2.885 -10.891 1.495 23 HB ILE 6 HB ILE 6 1.082 -12.449 3.243 24 1HG1 ILE 6 2HG1 ILE 6 0.966 -11.780 0.288 25 2HG1 ILE 6 1HG1 ILE 6 1.854 -13.136 0.957 26 1HG2 ILE 6 1HG2 ILE 6 0.359 -9.744 2.166 27 2HG2 ILE 6 2HG2 ILE 6 -0.860 -11.040 2.204 28 3HG2 ILE 6 3HG2 ILE 6 -0.076 -10.513 3.712 29 1HD1 ILE 6 1HD1 ILE 6 -1.147 -12.663 0.984 30 2HD1 ILE 6 2HD1 ILE 6 -0.250 -14.057 0.337 31 3HD1 ILE 6 3HD1 ILE 6 -0.382 -13.824 2.096 32 H LYS 7 H LYS 7 2.425 -10.744 5.084 33 HA LYS 7 HA LYS 7 1.693 -8.045 5.126 34 1HB LYS 7 2HB LYS 7 1.688 -10.047 6.929 35 2HB LYS 7 1HB LYS 7 3.140 -9.215 7.451 36 1HG LYS 7 2HG LYS 7 1.310 -7.126 6.979 37 2HG LYS 7 1HG LYS 7 0.323 -8.385 7.693 38 1HD LYS 7 2HD LYS 7 2.772 -8.307 9.190 39 2HD LYS 7 1HD LYS 7 2.253 -6.646 8.985 40 1HE LYS 7 2HE LYS 7 0.443 -8.887 10.007 41 2HE LYS 7 1HE LYS 7 1.301 -7.768 11.047 42 1HZ LYS 7 1HZ LYS 7 -0.028 -6.267 9.154 43 2HZ LYS 7 2HZ LYS 7 -1.101 -7.370 9.699 44 3HZ LYS 7 3HZ LYS 7 -0.352 -6.369 10.751 45 H ASN 8 H ASN 8 4.862 -9.726 5.159 46 HA ASN 8 HA ASN 8 6.311 -7.405 5.758 47 1HB ASN 8 2HB ASN 8 6.977 -9.986 5.826 48 2HB ASN 8 1HB ASN 8 7.451 -9.726 4.159 49 1HD2 ASN 8 1HD2 ASN 8 9.267 -10.471 6.058 50 2HD2 ASN 8 2HD2 ASN 8 10.392 -9.194 6.376 51 H GLY 9 H GLY 9 5.914 -9.376 2.708 52 1HA GLY 9 2HA GLY 9 7.237 -7.789 0.921 53 2HA GLY 9 1HA GLY 9 5.834 -8.769 0.541 54 H VAL 10 H VAL 10 3.712 -7.584 1.812 55 HA VAL 10 HA VAL 10 3.018 -5.517 0.172 56 HB VAL 10 HB VAL 10 2.104 -6.445 2.873 57 1HG1 VAL 10 1HG1 VAL 10 1.145 -3.992 1.384 58 2HG1 VAL 10 2HG1 VAL 10 0.107 -4.879 2.526 59 3HG1 VAL 10 3HG1 VAL 10 1.626 -4.143 3.091 60 1HG2 VAL 10 1HG2 VAL 10 0.909 -7.832 1.599 61 2HG2 VAL 10 2HG2 VAL 10 0.038 -6.428 0.937 62 3HG2 VAL 10 3HG2 VAL 10 1.497 -7.037 0.119 63 H LEU 11 H LEU 11 4.723 -5.430 3.333 64 HA LEU 11 HA LEU 11 4.668 -2.571 3.428 65 1HB LEU 11 2HB LEU 11 5.033 -4.620 5.240 66 2HB LEU 11 1HB LEU 11 6.646 -3.953 5.080 67 HG LEU 11 HG LEU 11 4.135 -2.576 6.029 68 1HD1 LEU 11 1HD1 LEU 11 5.077 -2.552 8.080 69 2HD1 LEU 11 2HD1 LEU 11 5.978 -3.946 7.436 70 3HD1 LEU 11 3HD1 LEU 11 6.726 -2.330 7.448 71 1HD2 LEU 11 1HD2 LEU 11 6.693 -1.302 5.050 72 2HD2 LEU 11 2HD2 LEU 11 5.019 -0.958 4.556 73 3HD2 LEU 11 3HD2 LEU 11 5.580 -0.494 6.180 74 H ASP 12 H ASP 12 7.177 -5.110 2.775 75 HA ASP 12 HA ASP 12 9.268 -3.455 2.340 76 1HB ASP 12 2HB ASP 12 8.860 -6.130 2.137 77 2HB ASP 12 1HB ASP 12 8.881 -5.747 0.427 78 H ILE 13 H ILE 13 6.507 -4.322 0.216 79 HA ILE 13 HA ILE 13 7.621 -3.106 -2.111 80 HB ILE 13 HB ILE 13 5.141 -4.507 -1.337 81 1HG1 ILE 13 2HG1 ILE 13 6.084 -4.796 -4.071 82 2HG1 ILE 13 1HG1 ILE 13 7.401 -4.988 -2.931 83 1HG2 ILE 13 1HG2 ILE 13 4.065 -3.741 -3.525 84 2HG2 ILE 13 2HG2 ILE 13 4.004 -2.619 -2.146 85 3HG2 ILE 13 3HG2 ILE 13 5.180 -2.357 -3.455 86 1HD1 ILE 13 1HD1 ILE 13 4.771 -6.524 -2.992 87 2HD1 ILE 13 2HD1 ILE 13 6.416 -7.169 -3.206 88 3HD1 ILE 13 3HD1 ILE 13 5.889 -6.585 -1.608 89 H LEU 14 H LEU 14 5.675 -2.089 0.673 90 HA LEU 14 HA LEU 14 4.810 0.337 -0.562 91 1HB LEU 14 2HB LEU 14 4.555 -0.997 2.070 92 2HB LEU 14 1HB LEU 14 4.452 0.752 2.076 93 HG LEU 14 HG LEU 14 2.740 -1.023 0.318 94 1HD1 LEU 14 1HD1 LEU 14 1.209 0.209 2.375 95 2HD1 LEU 14 2HD1 LEU 14 1.476 -1.524 2.066 96 3HD1 LEU 14 3HD1 LEU 14 2.580 -0.631 3.139 97 1HD2 LEU 14 1HD2 LEU 14 1.325 1.020 0.151 98 2HD2 LEU 14 2HD2 LEU 14 2.600 1.923 1.004 99 3HD2 LEU 14 3HD2 LEU 14 2.937 1.193 -0.584 100 H ALA 15 H ALA 15 7.274 -0.549 1.951 101 HA ALA 15 HA ALA 15 8.267 1.970 2.392 102 1HB ALA 15 1HB ALA 15 10.299 -0.165 2.297 103 2HB ALA 15 2HB ALA 15 9.752 0.831 3.667 104 3HB ALA 15 3HB ALA 15 8.829 -0.615 3.194 105 H ASP 16 H ASP 16 9.199 -0.445 -0.141 106 HA ASP 16 HA ASP 16 11.221 1.114 -1.213 107 1HB ASP 16 2HB ASP 16 9.816 -1.354 -1.824 108 2HB ASP 16 1HB ASP 16 9.987 -0.427 -3.302 109 H LEU 17 H LEU 17 7.681 1.083 -1.540 110 HA LEU 17 HA LEU 17 7.477 2.420 -3.993 111 1HB LEU 17 2HB LEU 17 5.773 1.269 -2.134 112 2HB LEU 17 1HB LEU 17 5.347 2.968 -2.081 113 HG LEU 17 HG LEU 17 5.270 2.761 -4.696 114 1HD1 LEU 17 1HD1 LEU 17 6.207 0.536 -4.880 115 2HD1 LEU 17 2HD1 LEU 17 4.916 -0.127 -3.849 116 3HD1 LEU 17 3HD1 LEU 17 4.522 0.533 -5.455 117 1HD2 LEU 17 1HD2 LEU 17 3.388 3.170 -3.016 118 2HD2 LEU 17 2HD2 LEU 17 2.943 2.480 -4.596 119 3HD2 LEU 17 3HD2 LEU 17 3.039 1.430 -3.161 120 H THR 18 H THR 18 7.267 3.662 -0.583 121 HA THR 18 HA THR 18 7.302 6.375 -1.469 122 HB THR 18 HB THR 18 7.309 6.813 0.963 123 HG1 THR 18 1HG THR 18 7.780 4.952 2.337 124 1HG2 THR 18 1HG2 THR 18 5.188 6.006 1.240 125 2HG2 THR 18 2HG2 THR 18 5.390 5.131 -0.296 126 3HG2 THR 18 3HG2 THR 18 5.784 4.328 1.242 127 H GLY 19 H GLY 19 9.749 3.988 -0.465 128 1HA GLY 19 2HA GLY 19 11.973 4.098 -1.058 129 2HA GLY 19 1HA GLY 19 11.811 5.800 -1.440 130 H SER 20 H SER 20 10.279 5.012 1.551 131 HA SER 20 HA SER 20 12.712 5.702 2.995 132 1HB SER 20 2HB SER 20 9.970 6.981 3.178 133 2HB SER 20 1HB SER 20 11.033 6.987 4.570 134 HG SER 20 HG SER 20 11.061 8.714 2.559 135 H ASP 21 H ASP 21 12.703 4.964 5.289 136 HA ASP 21 HA ASP 21 11.193 2.522 5.484 137 1HB ASP 21 2HB ASP 21 12.683 2.594 7.770 138 2HB ASP 21 1HB ASP 21 13.284 1.969 6.247 139 H ASP 22 H ASP 22 9.815 5.146 5.736 140 HA ASP 22 HA ASP 22 9.433 5.538 8.537 141 1HB ASP 22 2HB ASP 22 8.953 6.998 6.104 142 2HB ASP 22 1HB ASP 22 7.407 6.823 6.910 143 H VAL 23 H VAL 23 7.715 4.184 5.667 144 HA VAL 23 HA VAL 23 5.312 3.646 7.117 145 HB VAL 23 HB VAL 23 5.425 4.156 4.700 146 1HG1 VAL 23 1HG1 VAL 23 6.522 1.352 4.345 147 2HG1 VAL 23 2HG1 VAL 23 6.235 2.583 3.093 148 3HG1 VAL 23 3HG1 VAL 23 7.530 2.818 4.291 149 1HG2 VAL 23 1HG2 VAL 23 3.389 3.224 5.027 150 2HG2 VAL 23 2HG2 VAL 23 4.079 1.870 4.102 151 3HG2 VAL 23 3HG2 VAL 23 4.053 1.810 5.881 152 H LYS 24 H LYS 24 8.363 1.975 6.378 153 HA LYS 24 HA LYS 24 7.587 -0.632 6.814 154 1HB LYS 24 2HB LYS 24 9.749 -0.059 5.908 155 2HB LYS 24 1HB LYS 24 10.207 0.779 7.377 156 1HG LYS 24 2HG LYS 24 9.327 -2.051 7.755 157 2HG LYS 24 1HG LYS 24 10.813 -1.851 6.848 158 1HD LYS 24 2HD LYS 24 11.447 -0.169 8.817 159 2HD LYS 24 1HD LYS 24 10.214 -1.044 9.704 160 1HE LYS 24 2HE LYS 24 11.694 -2.711 10.111 161 2HE LYS 24 1HE LYS 24 11.814 -3.025 8.392 162 1HZ LYS 24 1HZ LYS 24 13.777 -2.044 8.331 163 2HZ LYS 24 2HZ LYS 24 13.280 -0.726 9.158 164 3HZ LYS 24 3HZ LYS 24 13.780 -2.056 9.964 165 H LYS 25 H LYS 25 7.709 2.066 9.016 166 HA LYS 25 HA LYS 25 7.453 0.193 11.264 167 1HB LYS 25 2HB LYS 25 9.411 1.660 11.426 168 2HB LYS 25 1HB LYS 25 8.397 3.076 11.246 169 1HG LYS 25 2HG LYS 25 7.614 1.151 13.412 170 2HG LYS 25 1HG LYS 25 9.097 2.048 13.670 171 1HD LYS 25 2HD LYS 25 7.757 4.177 13.079 172 2HD LYS 25 1HD LYS 25 6.314 3.189 13.173 173 1HE LYS 25 2HE LYS 25 6.296 3.581 15.410 174 2HE LYS 25 1HE LYS 25 7.705 2.547 15.535 175 1HZ LYS 25 1HZ LYS 25 9.070 4.506 15.113 176 2HZ LYS 25 2HZ LYS 25 7.738 5.451 15.093 177 3HZ LYS 25 3HZ LYS 25 8.167 4.674 16.463 178 H ASN 26 H ASN 26 6.468 3.628 10.638 179 HA ASN 26 HA ASN 26 4.258 3.614 12.139 180 1HB ASN 26 2HB ASN 26 5.078 5.064 9.632 181 2HB ASN 26 1HB ASN 26 3.391 5.203 10.084 182 1HD2 ASN 26 1HD2 ASN 26 6.354 6.554 10.393 183 2HD2 ASN 26 2HD2 ASN 26 6.176 7.447 11.866 184 H LEU 27 H LEU 27 1.993 3.090 11.794 185 HA LEU 27 HA LEU 27 1.492 1.481 9.386 186 1HB LEU 27 2HB LEU 27 0.712 1.006 12.254 187 2HB LEU 27 1HB LEU 27 -0.174 0.281 10.928 188 HG LEU 27 HG LEU 27 2.806 -0.080 11.310 189 1HD1 LEU 27 1HD1 LEU 27 0.499 -1.518 12.560 190 2HD1 LEU 27 2HD1 LEU 27 1.934 -2.452 12.072 191 3HD1 LEU 27 3HD1 LEU 27 2.097 -1.108 13.229 192 1HD2 LEU 27 1HD2 LEU 27 0.769 -1.581 9.641 193 2HD2 LEU 27 2HD2 LEU 27 2.049 -0.497 9.045 194 3HD2 LEU 27 3HD2 LEU 27 2.479 -2.032 9.838 195 H ASP 28 H ASP 28 1.185 4.394 9.765 196 HA ASP 28 HA ASP 28 -1.477 4.531 8.845 197 1HB ASP 28 2HB ASP 28 -1.066 4.895 11.649 198 2HB ASP 28 1HB ASP 28 -1.309 6.502 10.992 199 H LEU 29 H LEU 29 1.328 5.143 8.034 200 HA LEU 29 HA LEU 29 1.496 8.032 8.154 201 1HB LEU 29 2HB LEU 29 3.452 6.508 8.497 202 2HB LEU 29 1HB LEU 29 3.329 6.045 6.812 203 HG LEU 29 HG LEU 29 3.414 8.820 6.697 204 1HD1 LEU 29 1HD1 LEU 29 4.150 9.476 8.723 205 2HD1 LEU 29 2HD1 LEU 29 4.807 7.872 9.130 206 3HD1 LEU 29 3HD1 LEU 29 5.731 8.972 8.080 207 1HD2 LEU 29 1HD2 LEU 29 5.843 8.374 5.987 208 2HD2 LEU 29 2HD2 LEU 29 5.476 6.659 6.293 209 3HD2 LEU 29 3HD2 LEU 29 4.542 7.566 5.080 210 H ASN 30 H ASN 30 -0.093 8.952 6.894 211 HA ASN 30 HA ASN 30 -1.271 7.998 4.725 212 1HB ASN 30 2HB ASN 30 -0.298 10.894 4.849 213 2HB ASN 30 1HB ASN 30 -1.764 10.306 4.088 214 1HD2 ASN 30 1HD2 ASN 30 -2.925 8.690 5.824 215 2HD2 ASN 30 2HD2 ASN 30 -3.332 9.478 7.312 216 H LEU 31 H LEU 31 -0.345 7.067 2.890 217 HA LEU 31 HA LEU 31 2.297 7.772 2.083 218 1HB LEU 31 2HB LEU 31 0.325 6.105 0.539 219 2HB LEU 31 1HB LEU 31 2.076 6.051 0.486 220 HG LEU 31 HG LEU 31 0.790 5.446 3.106 221 1HD1 LEU 31 1HD1 LEU 31 0.253 3.921 0.631 222 2HD1 LEU 31 2HD1 LEU 31 0.782 2.959 2.033 223 3HD1 LEU 31 3HD1 LEU 31 -0.655 4.002 2.160 224 1HD2 LEU 31 1HD2 LEU 31 2.778 4.557 3.580 225 2HD2 LEU 31 2HD2 LEU 31 2.817 3.622 2.065 226 3HD2 LEU 31 3HD2 LEU 31 3.356 5.318 2.078 227 H PHE 32 H PHE 32 -0.619 9.373 1.800 228 HA PHE 32 HA PHE 32 0.144 10.478 -0.811 229 1HB PHE 32 2HB PHE 32 -2.430 9.865 0.663 230 2HB PHE 32 1HB PHE 32 -2.439 11.316 -0.321 231 HD1 PHE 32 1HD PHE 32 -1.901 7.654 -0.440 232 HD2 PHE 32 2HD PHE 32 -2.656 11.186 -2.668 233 HE1 PHE 32 1HE PHE 32 -2.371 6.269 -2.480 234 HE2 PHE 32 2HE PHE 32 -3.125 9.801 -4.707 235 HZ PHE 32 HZ PHE 32 -2.978 7.357 -4.589 236 H GLU 33 H GLU 33 -1.297 11.300 2.423 237 HA GLU 33 HA GLU 33 -1.041 14.050 2.018 238 1HB GLU 33 2HB GLU 33 -2.061 12.277 4.029 239 2HB GLU 33 1HB GLU 33 -0.971 13.389 4.831 240 1HG GLU 33 2HG GLU 33 -3.195 14.266 2.931 241 2HG GLU 33 1HG GLU 33 -3.369 14.208 4.673 242 H THR 34 H THR 34 1.284 11.594 2.617 243 HA THR 34 HA THR 34 3.121 13.399 3.987 244 HB THR 34 HB THR 34 3.331 10.453 3.164 245 HG1 THR 34 1HG THR 34 1.655 11.287 4.794 246 1HG2 THR 34 1HG2 THR 34 5.450 12.032 3.849 247 2HG2 THR 34 2HG2 THR 34 4.828 11.661 5.476 248 3HG2 THR 34 3HG2 THR 34 5.312 10.340 4.385 249 H GLY 35 H GLY 35 2.224 12.476 0.788 250 1HA GLY 35 2HA GLY 35 3.040 13.381 -1.145 251 2HA GLY 35 1HA GLY 35 4.409 14.047 -0.277 252 H LEU 36 H LEU 36 4.221 10.888 0.790 253 HA LEU 36 HA LEU 36 6.542 10.091 -0.495 254 1HB LEU 36 2HB LEU 36 4.400 8.676 1.055 255 2HB LEU 36 1HB LEU 36 5.687 7.762 0.295 256 HG LEU 36 HG LEU 36 6.054 9.960 2.349 257 1HD1 LEU 36 1HD1 LEU 36 6.963 7.254 3.014 258 2HD1 LEU 36 2HD1 LEU 36 6.025 8.425 3.973 259 3HD1 LEU 36 3HD1 LEU 36 5.202 7.382 2.787 260 1HD2 LEU 36 1HD2 LEU 36 7.908 8.747 0.472 261 2HD2 LEU 36 2HD2 LEU 36 8.128 10.134 1.567 262 3HD2 LEU 36 3HD2 LEU 36 8.409 8.479 2.159 263 H LEU 37 H LEU 37 3.074 9.432 -1.251 264 HA LEU 37 HA LEU 37 4.001 8.343 -3.818 265 1HB LEU 37 2HB LEU 37 2.575 7.019 -1.964 266 2HB LEU 37 1HB LEU 37 1.259 7.781 -2.836 267 HG LEU 37 HG LEU 37 2.184 6.791 -4.959 268 1HD1 LEU 37 1HD1 LEU 37 4.374 6.229 -4.715 269 2HD1 LEU 37 2HD1 LEU 37 4.178 5.722 -3.020 270 3HD1 LEU 37 3HD1 LEU 37 3.641 4.652 -4.338 271 1HD2 LEU 37 1HD2 LEU 37 0.708 5.544 -2.838 272 2HD2 LEU 37 2HD2 LEU 37 0.544 5.344 -4.599 273 3HD2 LEU 37 3HD2 LEU 37 1.676 4.316 -3.688 274 H ASP 38 H ASP 38 2.475 8.784 -5.680 275 HA ASP 38 HA ASP 38 1.243 11.397 -5.284 276 1HB ASP 38 2HB ASP 38 3.385 10.623 -7.047 277 2HB ASP 38 1HB ASP 38 1.987 10.958 -8.049 278 H SER 39 H SER 39 1.478 8.462 -7.432 279 HA SER 39 HA SER 39 -1.166 7.807 -7.264 280 1HB SER 39 2HB SER 39 -1.937 9.704 -8.426 281 2HB SER 39 1HB SER 39 -0.541 9.756 -9.483 282 HG SER 39 HG SER 39 -2.791 7.954 -9.585 283 H MET 40 H MET 40 1.523 8.178 -9.677 284 HA MET 40 HA MET 40 1.033 5.864 -11.065 285 1HB MET 40 2HB MET 40 3.137 7.868 -10.785 286 2HB MET 40 1HB MET 40 3.884 6.288 -10.893 287 1HG MET 40 2HG MET 40 1.666 6.798 -12.840 288 2HG MET 40 1HG MET 40 3.115 7.754 -13.079 289 1HE MET 40 1HE MET 40 2.468 3.418 -14.069 290 2HE MET 40 2HE MET 40 1.639 4.171 -12.686 291 3HE MET 40 3HE MET 40 1.438 4.848 -14.320 292 H GLY 41 H GLY 41 2.733 6.407 -7.967 293 1HA GLY 41 2HA GLY 41 4.103 3.994 -7.742 294 2HA GLY 41 1HA GLY 41 3.520 4.983 -6.418 295 H THR 42 H THR 42 0.764 4.896 -6.610 296 HA THR 42 HA THR 42 0.092 2.529 -5.408 297 HB THR 42 HB THR 42 -1.207 4.922 -6.487 298 HG1 THR 42 1HG THR 42 -1.715 2.804 -4.522 299 1HG2 THR 42 1HG2 THR 42 -3.508 3.841 -6.563 300 2HG2 THR 42 2HG2 THR 42 -2.487 3.420 -7.959 301 3HG2 THR 42 3HG2 THR 42 -2.705 2.255 -6.631 302 H VAL 43 H VAL 43 -0.001 3.334 -8.916 303 HA VAL 43 HA VAL 43 -1.310 1.058 -9.767 304 HB VAL 43 HB VAL 43 0.884 2.658 -11.100 305 1HG1 VAL 43 1HG1 VAL 43 -0.075 1.829 -13.221 306 2HG1 VAL 43 2HG1 VAL 43 0.579 0.511 -12.219 307 3HG1 VAL 43 3HG1 VAL 43 -1.179 0.779 -12.300 308 1HG2 VAL 43 1HG2 VAL 43 -1.938 3.202 -10.517 309 2HG2 VAL 43 2HG2 VAL 43 -0.638 4.306 -11.024 310 3HG2 VAL 43 3HG2 VAL 43 -1.535 3.369 -12.242 311 H GLN 44 H GLN 44 2.287 1.611 -9.754 312 HA GLN 44 HA GLN 44 3.018 -0.897 -10.399 313 1HB GLN 44 2HB GLN 44 4.527 1.095 -10.115 314 2HB GLN 44 1HB GLN 44 4.430 0.898 -8.376 315 1HG GLN 44 2HG GLN 44 5.790 -0.975 -8.365 316 2HG GLN 44 1HG GLN 44 5.180 -1.565 -9.898 317 1HE2 GLN 44 1HE2 GLN 44 7.894 -0.805 -8.571 318 2HE2 GLN 44 2HE2 GLN 44 8.755 0.027 -9.824 319 H LEU 45 H LEU 45 2.588 0.391 -7.023 320 HA LEU 45 HA LEU 45 3.152 -1.893 -5.646 321 1HB LEU 45 2HB LEU 45 2.727 -0.491 -4.011 322 2HB LEU 45 1HB LEU 45 2.008 0.639 -5.144 323 HG LEU 45 HG LEU 45 -0.187 -0.507 -4.847 324 1HD1 LEU 45 1HD1 LEU 45 -0.129 -2.593 -4.055 325 2HD1 LEU 45 2HD1 LEU 45 1.478 -2.370 -3.322 326 3HD1 LEU 45 3HD1 LEU 45 0.021 -1.842 -2.448 327 1HD2 LEU 45 1HD2 LEU 45 -0.744 0.614 -2.867 328 2HD2 LEU 45 2HD2 LEU 45 0.875 0.378 -2.166 329 3HD2 LEU 45 3HD2 LEU 45 0.646 1.516 -3.516 330 H LEU 46 H LEU 46 0.172 -1.008 -7.428 331 HA LEU 46 HA LEU 46 -1.369 -3.146 -6.431 332 1HB LEU 46 2HB LEU 46 -1.616 -0.981 -8.333 333 2HB LEU 46 1HB LEU 46 -2.312 -2.454 -8.978 334 HG LEU 46 HG LEU 46 -3.028 -1.229 -6.300 335 1HD1 LEU 46 1HD1 LEU 46 -4.698 -0.055 -7.246 336 2HD1 LEU 46 2HD1 LEU 46 -3.683 -0.167 -8.704 337 3HD1 LEU 46 3HD1 LEU 46 -5.032 -1.304 -8.471 338 1HD2 LEU 46 1HD2 LEU 46 -4.711 -3.278 -7.679 339 2HD2 LEU 46 2HD2 LEU 46 -3.254 -3.812 -6.807 340 3HD2 LEU 46 3HD2 LEU 46 -4.530 -2.917 -5.946 341 H LEU 47 H LEU 47 1.023 -2.792 -9.046 342 HA LEU 47 HA LEU 47 0.350 -5.171 -10.390 343 1HB LEU 47 2HB LEU 47 2.064 -3.019 -10.759 344 2HB LEU 47 1HB LEU 47 3.150 -4.377 -10.539 345 HG LEU 47 HG LEU 47 2.677 -3.992 -12.896 346 1HD1 LEU 47 1HD1 LEU 47 3.218 -6.227 -12.444 347 2HD1 LEU 47 2HD1 LEU 47 1.639 -6.556 -11.692 348 3HD1 LEU 47 3HD1 LEU 47 1.754 -6.314 -13.451 349 1HD2 LEU 47 1HD2 LEU 47 0.638 -3.723 -13.827 350 2HD2 LEU 47 2HD2 LEU 47 -0.140 -4.900 -12.740 351 3HD2 LEU 47 3HD2 LEU 47 0.188 -3.245 -12.172 352 H GLU 48 H GLU 48 2.474 -4.382 -7.611 353 HA GLU 48 HA GLU 48 3.536 -7.018 -7.549 354 1HB GLU 48 2HB GLU 48 4.045 -4.466 -6.262 355 2HB GLU 48 1HB GLU 48 3.943 -5.718 -5.039 356 1HG GLU 48 2HG GLU 48 6.106 -6.196 -5.571 357 2HG GLU 48 1HG GLU 48 5.457 -6.975 -7.001 358 H LEU 49 H LEU 49 0.714 -5.347 -6.293 359 HA LEU 49 HA LEU 49 0.265 -7.320 -4.229 360 1HB LEU 49 2HB LEU 49 -1.060 -4.787 -5.118 361 2HB LEU 49 1HB LEU 49 -1.952 -5.929 -4.133 362 HG LEU 49 HG LEU 49 0.525 -4.366 -3.423 363 1HD1 LEU 49 1HD1 LEU 49 -0.800 -3.586 -1.558 364 2HD1 LEU 49 2HD1 LEU 49 -1.695 -3.333 -3.076 365 3HD1 LEU 49 3HD1 LEU 49 -2.131 -4.683 -2.000 366 1HD2 LEU 49 1HD2 LEU 49 1.153 -6.490 -2.646 367 2HD2 LEU 49 2HD2 LEU 49 0.449 -5.675 -1.229 368 3HD2 LEU 49 3HD2 LEU 49 -0.501 -6.886 -2.121 369 H GLN 50 H GLN 50 -0.149 -7.072 -7.603 370 HA GLN 50 HA GLN 50 -2.375 -8.951 -7.463 371 1HB GLN 50 2HB GLN 50 -2.687 -6.717 -8.711 372 2HB GLN 50 1HB GLN 50 -1.555 -7.325 -9.902 373 1HG GLN 50 2HG GLN 50 -3.428 -9.434 -9.472 374 2HG GLN 50 1HG GLN 50 -4.380 -7.967 -9.567 375 1HE2 GLN 50 1HE2 GLN 50 -4.350 -6.696 -11.417 376 2HE2 GLN 50 2HE2 GLN 50 -3.800 -7.279 -12.953 377 H SER 51 H SER 51 0.681 -9.316 -7.209 378 HA SER 51 HA SER 51 0.864 -11.274 -9.362 379 1HB SER 51 2HB SER 51 2.393 -9.356 -9.784 380 2HB SER 51 1HB SER 51 3.131 -9.586 -8.212 381 HG SER 51 HG SER 51 4.451 -10.959 -9.172 382 H GLN 52 H GLN 52 2.328 -10.257 -6.182 383 HA GLN 52 HA GLN 52 2.902 -12.998 -5.595 384 1HB GLN 52 2HB GLN 52 3.299 -10.433 -3.992 385 2HB GLN 52 1HB GLN 52 3.822 -12.014 -3.447 386 1HG GLN 52 2HG GLN 52 4.680 -11.264 -6.214 387 2HG GLN 52 1HG GLN 52 5.388 -10.311 -4.923 388 1HE2 GLN 52 1HE2 GLN 52 7.045 -11.085 -3.831 389 2HE2 GLN 52 2HE2 GLN 52 7.640 -12.712 -3.868 390 H PHE 53 H PHE 53 0.343 -10.675 -5.054 391 HA PHE 53 HA PHE 53 -0.829 -12.496 -3.069 392 1HB PHE 53 2HB PHE 53 -1.536 -9.557 -3.556 393 2HB PHE 53 1HB PHE 53 -1.854 -10.498 -2.112 394 HD1 PHE 53 1HD PHE 53 0.973 -9.145 -4.126 395 HD2 PHE 53 2HD PHE 53 -0.414 -10.335 -0.296 396 HE1 PHE 53 1HE PHE 53 3.084 -8.269 -3.089 397 HE2 PHE 53 2HE PHE 53 1.696 -9.459 0.741 398 HZ PHE 53 HZ PHE 53 3.420 -8.436 -0.668 399 H GLY 54 H GLY 54 -1.170 -10.747 -6.130 400 1HA GLY 54 2HA GLY 54 -2.702 -10.894 -7.767 401 2HA GLY 54 1HA GLY 54 -3.254 -12.391 -7.040 402 H VAL 55 H VAL 55 -3.224 -9.015 -5.707 403 HA VAL 55 HA VAL 55 -5.893 -9.341 -4.759 404 HB VAL 55 HB VAL 55 -4.010 -6.977 -4.867 405 1HG1 VAL 55 1HG1 VAL 55 -6.316 -6.188 -4.747 406 2HG1 VAL 55 2HG1 VAL 55 -6.645 -7.289 -3.387 407 3HG1 VAL 55 3HG1 VAL 55 -5.498 -5.942 -3.186 408 1HG2 VAL 55 1HG2 VAL 55 -4.734 -8.333 -2.314 409 2HG2 VAL 55 2HG2 VAL 55 -3.653 -9.214 -3.421 410 3HG2 VAL 55 3HG2 VAL 55 -3.197 -7.597 -2.830 411 H ASP 56 H ASP 56 -7.679 -7.793 -5.314 412 HA ASP 56 HA ASP 56 -7.457 -6.961 -8.096 413 1HB ASP 56 2HB ASP 56 -8.799 -8.997 -8.063 414 2HB ASP 56 1HB ASP 56 -9.749 -8.417 -6.710 415 H ALA 57 H ALA 57 -7.380 -4.702 -7.735 416 HA ALA 57 HA ALA 57 -9.622 -3.595 -6.197 417 1HB ALA 57 1HB ALA 57 -7.746 -3.331 -4.759 418 2HB ALA 57 2HB ALA 57 -6.674 -2.888 -6.110 419 3HB ALA 57 3HB ALA 57 -7.937 -1.756 -5.568 420 HA PRO 58 HA PRO 58 -10.202 -1.094 -9.675 421 1HB PRO 58 2HB PRO 58 -11.273 1.191 -8.625 422 2HB PRO 58 1HB PRO 58 -12.200 -0.274 -8.875 423 1HG PRO 58 2HG PRO 58 -11.160 0.852 -6.348 424 2HG PRO 58 1HG PRO 58 -12.419 -0.344 -6.580 425 1HD PRO 58 2HD PRO 58 -9.721 -0.834 -5.736 426 2HD PRO 58 1HD PRO 58 -10.947 -2.039 -6.081 427 H VAL 59 H VAL 59 -10.016 1.443 -10.428 428 HA VAL 59 HA VAL 59 -7.551 2.518 -9.410 429 HB VAL 59 HB VAL 59 -7.733 1.468 -12.242 430 1HG1 VAL 59 1HG1 VAL 59 -5.158 2.486 -11.194 431 2HG1 VAL 59 2HG1 VAL 59 -5.893 2.655 -12.806 432 3HG1 VAL 59 3HG1 VAL 59 -6.410 3.719 -11.476 433 1HG2 VAL 59 1HG2 VAL 59 -6.093 0.577 -9.850 434 2HG2 VAL 59 2HG2 VAL 59 -7.309 -0.361 -10.750 435 3HG2 VAL 59 3HG2 VAL 59 -5.766 0.070 -11.525 436 H SER 60 H SER 60 -10.098 2.511 -11.975 437 HA SER 60 HA SER 60 -9.914 4.907 -13.019 438 1HB SER 60 2HB SER 60 -12.615 4.903 -12.546 439 2HB SER 60 1HB SER 60 -11.835 3.962 -13.800 440 HG SER 60 HG SER 60 -13.059 3.116 -11.433 441 H GLU 61 H GLU 61 -10.812 4.195 -9.641 442 HA GLU 61 HA GLU 61 -10.036 6.625 -8.700 443 1HB GLU 61 2HB GLU 61 -12.411 7.019 -10.071 444 2HB GLU 61 1HB GLU 61 -12.987 6.782 -8.433 445 1HG GLU 61 2HG GLU 61 -11.424 8.544 -7.613 446 2HG GLU 61 1HG GLU 61 -10.806 8.765 -9.237 447 H PHE 62 H PHE 62 -9.477 4.221 -7.752 448 HA PHE 62 HA PHE 62 -11.261 2.953 -6.090 449 1HB PHE 62 2HB PHE 62 -8.963 2.406 -4.871 450 2HB PHE 62 1HB PHE 62 -9.153 1.901 -6.538 451 HD1 PHE 62 1HD PHE 62 -8.348 5.238 -5.070 452 HD2 PHE 62 2HD PHE 62 -7.079 2.032 -7.545 453 HE1 PHE 62 1HE PHE 62 -6.294 6.536 -5.697 454 HE2 PHE 62 2HE PHE 62 -5.025 3.331 -8.173 455 HZ PHE 62 HZ PHE 62 -4.657 5.567 -7.241 456 H ASP 63 H ASP 63 -10.257 2.817 -3.511 457 HA ASP 63 HA ASP 63 -11.107 5.397 -2.537 458 1HB ASP 63 2HB ASP 63 -10.638 3.663 -0.351 459 2HB ASP 63 1HB ASP 63 -12.192 4.084 -1.042 460 H ARG 64 H ARG 64 -9.037 6.525 -2.969 461 HA ARG 64 HA ARG 64 -6.574 5.682 -2.393 462 1HB ARG 64 2HB ARG 64 -6.198 8.244 -1.741 463 2HB ARG 64 1HB ARG 64 -6.625 7.803 -3.382 464 1HG ARG 64 2HG ARG 64 -8.639 8.860 -3.253 465 2HG ARG 64 1HG ARG 64 -9.023 8.114 -1.715 466 1HD ARG 64 2HD ARG 64 -6.900 10.065 -1.320 467 2HD ARG 64 1HD ARG 64 -8.218 10.821 -2.193 468 HE ARG 64 HE ARG 64 -9.249 9.250 0.004 469 1HH1 ARG 64 2HH2 ARG 64 -7.624 12.289 -0.710 470 2HH1 ARG 64 1HH2 ARG 64 -8.233 13.093 0.699 471 1HH2 ARG 64 2HH1 ARG 64 -10.052 10.310 1.863 472 2HH2 ARG 64 1HH1 ARG 64 -9.623 11.959 2.171 473 H LYS 65 H LYS 65 -9.123 6.644 -0.120 474 HA LYS 65 HA LYS 65 -7.560 7.186 2.114 475 1HB LYS 65 2HB LYS 65 -9.740 7.853 2.361 476 2HB LYS 65 1HB LYS 65 -10.398 6.422 1.596 477 1HG LYS 65 2HG LYS 65 -10.402 5.199 3.555 478 2HG LYS 65 1HG LYS 65 -8.908 5.911 4.133 479 1HD LYS 65 2HD LYS 65 -11.247 7.774 3.964 480 2HD LYS 65 1HD LYS 65 -11.374 6.506 5.167 481 1HE LYS 65 2HE LYS 65 -8.803 7.324 5.638 482 2HE LYS 65 1HE LYS 65 -9.482 8.827 5.045 483 1HZ LYS 65 1HZ LYS 65 -10.275 7.281 7.382 484 2HZ LYS 65 2HZ LYS 65 -9.956 8.878 7.265 485 3HZ LYS 65 3HZ LYS 65 -11.357 8.280 6.676 486 H GLU 66 H GLU 66 -8.648 4.121 0.628 487 HA GLU 66 HA GLU 66 -7.698 2.617 2.861 488 1HB GLU 66 2HB GLU 66 -9.648 1.822 1.604 489 2HB GLU 66 1HB GLU 66 -8.728 1.790 0.113 490 1HG GLU 66 2HG GLU 66 -7.630 -0.169 0.660 491 2HG GLU 66 1HG GLU 66 -7.533 0.232 2.363 492 H TRP 67 H TRP 67 -6.483 3.828 -0.220 493 HA TRP 67 HA TRP 67 -4.135 2.090 0.005 494 1HB TRP 67 2HB TRP 67 -4.845 3.892 -2.304 495 2HB TRP 67 1HB TRP 67 -3.683 2.581 -2.267 496 HD1 TRP 67 HD TRP 67 -7.381 3.232 -2.842 497 HE1 TRP 67 1HE TRP 67 -8.676 1.041 -3.541 498 HE3 TRP 67 3HE TRP 67 -3.579 0.020 -1.798 499 HZ2 TRP 67 2HZ TRP 67 -7.980 -1.726 -3.579 500 HZ3 TRP 67 3HZ TRP 67 -3.970 -2.410 -2.194 501 HH2 TRP 67 HH TRP 67 -6.080 -3.297 -3.053 502 H ASP 68 H ASP 68 -4.969 4.526 1.710 503 HA ASP 68 HA ASP 68 -2.959 6.425 0.909 504 1HB ASP 68 2HB ASP 68 -4.837 7.583 1.673 505 2HB ASP 68 1HB ASP 68 -5.252 6.352 2.847 506 H THR 69 H THR 69 -3.818 4.104 3.538 507 HA THR 69 HA THR 69 -1.147 4.529 4.706 508 HB THR 69 HB THR 69 -2.135 4.063 6.822 509 HG1 THR 69 1HG THR 69 -4.101 2.816 6.878 510 1HG2 THR 69 1HG2 THR 69 -4.528 5.186 5.282 511 2HG2 THR 69 2HG2 THR 69 -4.173 5.388 7.015 512 3HG2 THR 69 3HG2 THR 69 -3.150 6.188 5.798 513 HA PRO 70 HA PRO 70 -0.104 0.455 3.856 514 1HB PRO 70 2HB PRO 70 1.362 -0.324 6.028 515 2HB PRO 70 1HB PRO 70 2.005 0.692 4.752 516 1HG PRO 70 2HG PRO 70 1.171 1.452 7.485 517 2HG PRO 70 1HG PRO 70 2.189 2.333 6.362 518 1HD PRO 70 2HD PRO 70 -0.559 2.878 6.977 519 2HD PRO 70 1HD PRO 70 0.425 3.684 5.772 520 H ASN 71 H ASN 71 -1.569 0.863 6.999 521 HA ASN 71 HA ASN 71 -2.123 -1.813 7.397 522 1HB ASN 71 2HB ASN 71 -2.824 0.753 8.591 523 2HB ASN 71 1HB ASN 71 -4.261 -0.246 8.513 524 1HD2 ASN 71 1HD2 ASN 71 -2.489 0.659 10.739 525 2HD2 ASN 71 2HD2 ASN 71 -2.051 -0.767 11.618 526 H LYS 72 H LYS 72 -4.376 0.885 6.394 527 HA LYS 72 HA LYS 72 -6.560 -0.571 5.753 528 1HB LYS 72 2HB LYS 72 -5.501 2.059 5.134 529 2HB LYS 72 1HB LYS 72 -6.403 1.422 3.773 530 1HG LYS 72 2HG LYS 72 -8.397 1.141 5.064 531 2HG LYS 72 1HG LYS 72 -7.535 1.241 6.587 532 1HD LYS 72 2HD LYS 72 -7.138 3.658 4.950 533 2HD LYS 72 1HD LYS 72 -8.836 3.359 5.261 534 1HE LYS 72 2HE LYS 72 -6.657 3.472 7.403 535 2HE LYS 72 1HE LYS 72 -7.777 4.771 7.041 536 1HZ LYS 72 1HZ LYS 72 -9.503 2.889 7.437 537 2HZ LYS 72 2HZ LYS 72 -8.300 2.224 8.319 538 3HZ LYS 72 3HZ LYS 72 -8.863 3.710 8.697 539 H ILE 73 H ILE 73 -3.489 -0.338 3.979 540 HA ILE 73 HA ILE 73 -4.572 -1.615 1.646 541 HB ILE 73 HB ILE 73 -1.871 -0.660 2.525 542 1HG1 ILE 73 2HG1 ILE 73 -3.736 0.022 0.237 543 2HG1 ILE 73 1HG1 ILE 73 -3.370 1.012 1.636 544 1HG2 ILE 73 1HG2 ILE 73 -1.503 -1.496 -0.081 545 2HG2 ILE 73 2HG2 ILE 73 -0.879 -2.296 1.382 546 3HG2 ILE 73 3HG2 ILE 73 -2.410 -2.840 0.655 547 1HD1 ILE 73 1HD1 ILE 73 -1.895 1.947 0.106 548 2HD1 ILE 73 2HD1 ILE 73 -0.844 0.681 0.783 549 3HD1 ILE 73 3HD1 ILE 73 -1.669 0.415 -0.772 550 H ILE 74 H ILE 74 -2.291 -2.514 4.324 551 HA ILE 74 HA ILE 74 -1.810 -5.093 3.563 552 HB ILE 74 HB ILE 74 -1.763 -3.550 6.075 553 1HG1 ILE 74 2HG1 ILE 74 0.219 -5.503 4.876 554 2HG1 ILE 74 1HG1 ILE 74 0.134 -3.808 4.440 555 1HG2 ILE 74 1HG2 ILE 74 -1.862 -6.576 6.085 556 2HG2 ILE 74 2HG2 ILE 74 -1.231 -5.586 7.422 557 3HG2 ILE 74 3HG2 ILE 74 -2.940 -5.447 6.941 558 1HD1 ILE 74 1HD1 ILE 74 1.671 -3.611 6.146 559 2HD1 ILE 74 2HD1 ILE 74 0.201 -3.541 7.145 560 3HD1 ILE 74 3HD1 ILE 74 1.089 -5.073 6.976 561 H ALA 75 H ALA 75 -4.780 -3.642 4.767 562 HA ALA 75 HA ALA 75 -5.944 -6.148 5.536 563 1HB ALA 75 1HB ALA 75 -6.394 -3.597 6.267 564 2HB ALA 75 2HB ALA 75 -7.601 -3.722 4.966 565 3HB ALA 75 3HB ALA 75 -7.657 -4.847 6.344 566 H LYS 76 H LYS 76 -5.828 -4.017 2.665 567 HA LYS 76 HA LYS 76 -7.924 -5.338 1.297 568 1HB LYS 76 2HB LYS 76 -5.858 -3.283 0.670 569 2HB LYS 76 1HB LYS 76 -6.546 -4.156 -0.684 570 1HG LYS 76 2HG LYS 76 -8.161 -2.704 1.467 571 2HG LYS 76 1HG LYS 76 -7.833 -2.077 -0.137 572 1HD LYS 76 2HD LYS 76 -8.874 -4.632 -0.654 573 2HD LYS 76 1HD LYS 76 -9.820 -4.088 0.719 574 1HE LYS 76 2HE LYS 76 -9.805 -1.802 -0.832 575 2HE LYS 76 1HE LYS 76 -9.756 -3.038 -2.072 576 1HZ LYS 76 1HZ LYS 76 -11.962 -2.229 -0.802 577 2HZ LYS 76 2HZ LYS 76 -11.823 -3.644 -1.604 578 3HZ LYS 76 3HZ LYS 76 -11.614 -3.600 0.015 579 H VAL 77 H VAL 77 -4.408 -5.832 1.650 580 HA VAL 77 HA VAL 77 -4.233 -7.691 -0.490 581 HB VAL 77 HB VAL 77 -2.412 -7.300 1.892 582 1HG1 VAL 77 1HG1 VAL 77 -2.241 -9.332 0.206 583 2HG1 VAL 77 2HG1 VAL 77 -1.480 -8.110 -0.840 584 3HG1 VAL 77 3HG1 VAL 77 -0.784 -8.470 0.758 585 1HG2 VAL 77 1HG2 VAL 77 -1.836 -5.297 1.102 586 2HG2 VAL 77 2HG2 VAL 77 -1.445 -6.011 -0.481 587 3HG2 VAL 77 3HG2 VAL 77 -3.096 -5.436 -0.148 588 H GLU 78 H GLU 78 -4.787 -7.870 3.058 589 HA GLU 78 HA GLU 78 -4.651 -10.690 3.078 590 1HB GLU 78 2HB GLU 78 -5.634 -8.612 5.068 591 2HB GLU 78 1HB GLU 78 -5.751 -10.329 5.402 592 1HG GLU 78 2HG GLU 78 -3.078 -9.570 4.406 593 2HG GLU 78 1HG GLU 78 -3.510 -8.699 5.864 594 H GLN 79 H GLN 79 -7.139 -8.267 2.430 595 HA GLN 79 HA GLN 79 -9.221 -10.240 2.712 596 1HB GLN 79 2HB GLN 79 -9.414 -7.780 3.457 597 2HB GLN 79 1HB GLN 79 -9.514 -7.366 1.758 598 1HG GLN 79 2HG GLN 79 -11.528 -8.723 1.467 599 2HG GLN 79 1HG GLN 79 -11.372 -9.393 3.079 600 1HE2 GLN 79 1HE2 GLN 79 -11.796 -8.132 4.892 601 2HE2 GLN 79 2HE2 GLN 79 -12.718 -6.668 4.825 602 H ALA 80 H ALA 80 -7.024 -10.416 0.625 603 HA ALA 80 HA ALA 80 -8.786 -10.399 -1.730 604 1HB ALA 80 1HB ALA 80 -6.038 -10.322 -2.506 605 2HB ALA 80 2HB ALA 80 -7.286 -9.076 -2.746 606 3HB ALA 80 3HB ALA 80 -6.283 -9.060 -1.275 607 H GLN 81 H GLN 81 -6.033 -11.935 0.029 608 HA GLN 81 HA GLN 81 -5.541 -14.027 -1.573 609 1HB GLN 81 2HB GLN 81 -5.746 -14.114 1.471 610 2HB GLN 81 1HB GLN 81 -4.857 -15.256 0.482 611 1HG GLN 81 2HG GLN 81 -4.287 -12.281 0.826 612 2HG GLN 81 1HG GLN 81 -3.270 -13.620 1.322 613 1HE2 GLN 81 1HE2 GLN 81 -4.604 -11.860 -1.405 614 2HE2 GLN 81 2HE2 GLN 81 -3.433 -12.328 -2.592 Start of MODEL 3 1 H ALA 2 H ALA 2 3.520 -20.097 8.219 2 HA ALA 2 HA ALA 2 2.238 -18.103 9.952 3 1HB ALA 2 1HB ALA 2 4.286 -18.324 10.929 4 2HB ALA 2 2HB ALA 2 5.033 -18.992 9.457 5 3HB ALA 2 3HB ALA 2 4.799 -17.235 9.617 6 H ASP 3 H ASP 3 0.774 -17.554 8.125 7 HA ASP 3 HA ASP 3 1.752 -16.737 5.679 8 1HB ASP 3 2HB ASP 3 -0.703 -15.635 7.121 9 2HB ASP 3 1HB ASP 3 -0.440 -15.659 5.388 10 H GLU 4 H GLU 4 3.667 -15.390 6.259 11 HA GLU 4 HA GLU 4 2.842 -12.686 6.925 12 1HB GLU 4 2HB GLU 4 4.783 -12.384 8.395 13 2HB GLU 4 1HB GLU 4 3.797 -13.709 8.978 14 1HG GLU 4 2HG GLU 4 5.327 -15.336 7.821 15 2HG GLU 4 1HG GLU 4 6.326 -13.998 7.287 16 H ALA 5 H ALA 5 3.840 -14.565 4.543 17 HA ALA 5 HA ALA 5 6.249 -13.219 3.741 18 1HB ALA 5 1HB ALA 5 5.127 -14.648 1.575 19 2HB ALA 5 2HB ALA 5 6.425 -15.185 2.667 20 3HB ALA 5 3HB ALA 5 4.731 -15.590 3.033 21 H ILE 6 H ILE 6 2.826 -12.656 3.589 22 HA ILE 6 HA ILE 6 3.033 -11.034 1.196 23 HB ILE 6 HB ILE 6 0.896 -12.240 2.816 24 1HG1 ILE 6 2HG1 ILE 6 1.021 -11.500 -0.120 25 2HG1 ILE 6 1HG1 ILE 6 1.668 -12.988 0.540 26 1HG2 ILE 6 1HG2 ILE 6 -0.713 -10.486 1.685 27 2HG2 ILE 6 2HG2 ILE 6 0.012 -10.179 3.280 28 3HG2 ILE 6 3HG2 ILE 6 0.708 -9.423 1.828 29 1HD1 ILE 6 1HD1 ILE 6 -1.237 -12.064 0.614 30 2HD1 ILE 6 2HD1 ILE 6 -0.569 -13.460 -0.264 31 3HD1 ILE 6 3HD1 ILE 6 -0.633 -13.477 1.514 32 H LYS 7 H LYS 7 2.032 -10.574 4.662 33 HA LYS 7 HA LYS 7 1.847 -7.850 4.618 34 1HB LYS 7 2HB LYS 7 1.484 -9.740 6.484 35 2HB LYS 7 1HB LYS 7 3.034 -9.137 7.035 36 1HG LYS 7 2HG LYS 7 1.382 -6.864 6.350 37 2HG LYS 7 1HG LYS 7 0.437 -7.935 7.365 38 1HD LYS 7 2HD LYS 7 1.520 -6.985 9.128 39 2HD LYS 7 1HD LYS 7 2.903 -7.952 8.656 40 1HE LYS 7 2HE LYS 7 3.423 -5.963 6.994 41 2HE LYS 7 1HE LYS 7 2.332 -5.042 8.010 42 1HZ LYS 7 1HZ LYS 7 4.951 -5.546 8.503 43 2HZ LYS 7 2HZ LYS 7 3.878 -4.910 9.558 44 3HZ LYS 7 3HZ LYS 7 4.170 -6.517 9.559 45 H ASN 8 H ASN 8 4.763 -9.924 4.815 46 HA ASN 8 HA ASN 8 6.506 -7.855 5.463 47 1HB ASN 8 2HB ASN 8 6.808 -10.501 5.426 48 2HB ASN 8 1HB ASN 8 7.328 -10.246 3.772 49 1HD2 ASN 8 1HD2 ASN 8 8.681 -11.061 6.346 50 2HD2 ASN 8 2HD2 ASN 8 10.084 -10.053 6.474 51 H GLY 9 H GLY 9 5.889 -9.622 2.325 52 1HA GLY 9 2HA GLY 9 7.437 -8.030 0.666 53 2HA GLY 9 1HA GLY 9 6.045 -8.977 0.180 54 H VAL 10 H VAL 10 3.970 -7.694 1.670 55 HA VAL 10 HA VAL 10 3.324 -5.608 -0.032 56 HB VAL 10 HB VAL 10 2.040 -7.133 1.794 57 1HG1 VAL 10 1HG1 VAL 10 3.068 -5.430 3.532 58 2HG1 VAL 10 2HG1 VAL 10 1.700 -4.414 3.017 59 3HG1 VAL 10 3HG1 VAL 10 1.400 -6.025 3.713 60 1HG2 VAL 10 1HG2 VAL 10 0.447 -6.409 0.409 61 2HG2 VAL 10 2HG2 VAL 10 0.316 -4.944 1.413 62 3HG2 VAL 10 3HG2 VAL 10 1.390 -4.958 -0.006 63 H LEU 11 H LEU 11 5.213 -5.700 2.970 64 HA LEU 11 HA LEU 11 5.118 -2.836 3.267 65 1HB LEU 11 2HB LEU 11 5.419 -4.890 5.004 66 2HB LEU 11 1HB LEU 11 7.097 -4.447 4.759 67 HG LEU 11 HG LEU 11 4.872 -2.656 5.767 68 1HD1 LEU 11 1HD1 LEU 11 6.046 -4.452 7.255 69 2HD1 LEU 11 2HD1 LEU 11 7.402 -3.298 7.250 70 3HD1 LEU 11 3HD1 LEU 11 5.810 -2.798 7.871 71 1HD2 LEU 11 1HD2 LEU 11 7.197 -1.898 4.332 72 2HD2 LEU 11 2HD2 LEU 11 6.025 -0.859 5.177 73 3HD2 LEU 11 3HD2 LEU 11 7.461 -1.463 6.038 74 H ASP 12 H ASP 12 7.486 -5.376 2.256 75 HA ASP 12 HA ASP 12 9.621 -3.722 1.889 76 1HB ASP 12 2HB ASP 12 9.191 -6.367 1.568 77 2HB ASP 12 1HB ASP 12 9.090 -5.909 -0.121 78 H ILE 13 H ILE 13 6.743 -4.393 -0.142 79 HA ILE 13 HA ILE 13 7.802 -3.005 -2.421 80 HB ILE 13 HB ILE 13 5.424 -4.600 -1.739 81 1HG1 ILE 13 2HG1 ILE 13 6.515 -4.392 -4.496 82 2HG1 ILE 13 1HG1 ILE 13 7.617 -4.989 -3.271 83 1HG2 ILE 13 1HG2 ILE 13 5.256 -2.317 -3.720 84 2HG2 ILE 13 2HG2 ILE 13 4.144 -3.706 -3.697 85 3HG2 ILE 13 3HG2 ILE 13 4.227 -2.609 -2.297 86 1HD1 ILE 13 1HD1 ILE 13 6.487 -6.921 -4.142 87 2HD1 ILE 13 2HD1 ILE 13 5.758 -6.611 -2.548 88 3HD1 ILE 13 3HD1 ILE 13 4.898 -6.128 -4.029 89 H LEU 14 H LEU 14 6.203 -2.205 0.563 90 HA LEU 14 HA LEU 14 5.049 0.224 -0.473 91 1HB LEU 14 2HB LEU 14 4.768 -1.437 1.845 92 2HB LEU 14 1HB LEU 14 5.121 0.201 2.360 93 HG LEU 14 HG LEU 14 3.229 0.933 0.776 94 1HD1 LEU 14 1HD1 LEU 14 1.895 -0.550 -0.253 95 2HD1 LEU 14 2HD1 LEU 14 3.275 -1.659 -0.062 96 3HD1 LEU 14 3HD1 LEU 14 1.935 -1.695 1.109 97 1HD2 LEU 14 1HD2 LEU 14 1.485 0.343 2.492 98 2HD2 LEU 14 2HD2 LEU 14 2.725 -0.635 3.314 99 3HD2 LEU 14 3HD2 LEU 14 2.954 1.120 3.131 100 H ALA 15 H ALA 15 7.656 -0.653 1.905 101 HA ALA 15 HA ALA 15 8.583 1.949 2.232 102 1HB ALA 15 1HB ALA 15 9.795 -0.807 2.572 103 2HB ALA 15 2HB ALA 15 10.725 0.668 2.923 104 3HB ALA 15 3HB ALA 15 9.229 0.324 3.823 105 H ASP 16 H ASP 16 8.958 -0.385 -0.384 106 HA ASP 16 HA ASP 16 11.285 0.841 -1.429 107 1HB ASP 16 2HB ASP 16 10.702 -1.538 -1.863 108 2HB ASP 16 1HB ASP 16 9.235 -1.045 -2.684 109 H LEU 17 H LEU 17 7.727 1.041 -1.845 110 HA LEU 17 HA LEU 17 7.716 2.494 -4.241 111 1HB LEU 17 2HB LEU 17 5.864 1.274 -2.688 112 2HB LEU 17 1HB LEU 17 5.548 2.950 -2.285 113 HG LEU 17 HG LEU 17 5.446 1.679 -5.030 114 1HD1 LEU 17 1HD1 LEU 17 3.047 2.653 -4.826 115 2HD1 LEU 17 2HD1 LEU 17 3.451 1.138 -3.985 116 3HD1 LEU 17 3HD1 LEU 17 3.385 2.668 -3.079 117 1HD2 LEU 17 1HD2 LEU 17 4.442 4.363 -5.024 118 2HD2 LEU 17 2HD2 LEU 17 6.111 4.361 -4.406 119 3HD2 LEU 17 3HD2 LEU 17 5.751 3.650 -5.997 120 H THR 18 H THR 18 7.525 3.548 -0.774 121 HA THR 18 HA THR 18 7.646 6.310 -1.506 122 HB THR 18 HB THR 18 7.575 6.628 0.915 123 HG1 THR 18 1HG THR 18 8.148 4.782 2.246 124 1HG2 THR 18 1HG2 THR 18 5.580 5.277 -0.306 125 2HG2 THR 18 2HG2 THR 18 6.167 3.962 0.740 126 3HG2 THR 18 3HG2 THR 18 5.601 5.487 1.462 127 H GLY 19 H GLY 19 9.990 3.908 -0.172 128 1HA GLY 19 2HA GLY 19 12.239 3.914 -0.856 129 2HA GLY 19 1HA GLY 19 12.139 5.629 -1.203 130 H SER 20 H SER 20 10.430 5.499 1.587 131 HA SER 20 HA SER 20 12.819 6.066 3.129 132 1HB SER 20 2HB SER 20 10.306 7.353 2.879 133 2HB SER 20 1HB SER 20 10.289 6.641 4.480 134 HG SER 20 HG SER 20 11.314 8.525 4.892 135 H ASP 21 H ASP 21 11.886 5.695 5.747 136 HA ASP 21 HA ASP 21 11.015 2.923 5.772 137 1HB ASP 21 2HB ASP 21 13.622 3.495 6.155 138 2HB ASP 21 1HB ASP 21 13.067 3.859 7.777 139 H ASP 22 H ASP 22 9.595 5.488 6.234 140 HA ASP 22 HA ASP 22 9.330 5.492 9.124 141 1HB ASP 22 2HB ASP 22 9.631 7.615 7.555 142 2HB ASP 22 1HB ASP 22 7.919 7.405 7.242 143 H VAL 23 H VAL 23 7.684 4.901 6.004 144 HA VAL 23 HA VAL 23 5.100 4.578 7.236 145 HB VAL 23 HB VAL 23 5.642 5.520 4.917 146 1HG1 VAL 23 1HG1 VAL 23 7.152 3.726 4.186 147 2HG1 VAL 23 2HG1 VAL 23 5.812 2.557 4.270 148 3HG1 VAL 23 3HG1 VAL 23 5.760 3.887 3.088 149 1HG2 VAL 23 1HG2 VAL 23 3.465 5.217 4.415 150 2HG2 VAL 23 2HG2 VAL 23 3.594 3.442 4.473 151 3HG2 VAL 23 3HG2 VAL 23 3.393 4.371 5.979 152 H LYS 24 H LYS 24 7.935 2.770 7.125 153 HA LYS 24 HA LYS 24 6.640 0.214 6.748 154 1HB LYS 24 2HB LYS 24 8.745 0.183 5.804 155 2HB LYS 24 1HB LYS 24 9.453 1.192 7.048 156 1HG LYS 24 2HG LYS 24 8.390 -1.536 7.814 157 2HG LYS 24 1HG LYS 24 9.932 -1.430 6.988 158 1HD LYS 24 2HD LYS 24 10.951 -0.217 8.747 159 2HD LYS 24 1HD LYS 24 9.420 0.361 9.375 160 1HE LYS 24 2HE LYS 24 9.205 -2.447 9.552 161 2HE LYS 24 1HE LYS 24 10.869 -2.125 9.998 162 1HZ LYS 24 1HZ LYS 24 8.571 -0.714 11.164 163 2HZ LYS 24 2HZ LYS 24 9.297 -2.005 11.853 164 3HZ LYS 24 3HZ LYS 24 10.127 -0.613 11.651 165 H LYS 25 H LYS 25 7.166 2.502 9.271 166 HA LYS 25 HA LYS 25 6.905 0.391 11.288 167 1HB LYS 25 2HB LYS 25 8.854 1.882 11.521 168 2HB LYS 25 1HB LYS 25 7.793 3.275 11.583 169 1HG LYS 25 2HG LYS 25 7.494 0.953 13.531 170 2HG LYS 25 1HG LYS 25 8.592 2.281 13.847 171 1HD LYS 25 2HD LYS 25 6.438 3.774 13.288 172 2HD LYS 25 1HD LYS 25 5.574 2.307 13.705 173 1HE LYS 25 2HE LYS 25 6.202 2.395 15.943 174 2HE LYS 25 1HE LYS 25 7.752 3.135 15.596 175 1HZ LYS 25 1HZ LYS 25 6.778 5.201 15.394 176 2HZ LYS 25 2HZ LYS 25 5.271 4.617 15.164 177 3HZ LYS 25 3HZ LYS 25 5.955 4.549 16.645 178 H ASN 26 H ASN 26 5.795 3.823 10.816 179 HA ASN 26 HA ASN 26 3.627 3.581 12.459 180 1HB ASN 26 2HB ASN 26 4.435 5.401 10.204 181 2HB ASN 26 1HB ASN 26 2.743 5.451 10.658 182 1HD2 ASN 26 1HD2 ASN 26 2.819 7.484 11.504 183 2HD2 ASN 26 2HD2 ASN 26 3.617 7.895 12.984 184 H LEU 27 H LEU 27 1.559 2.669 12.175 185 HA LEU 27 HA LEU 27 1.055 1.448 9.569 186 1HB LEU 27 2HB LEU 27 -0.231 0.949 12.258 187 2HB LEU 27 1HB LEU 27 -0.576 0.080 10.776 188 HG LEU 27 HG LEU 27 2.257 0.127 11.724 189 1HD1 LEU 27 1HD1 LEU 27 1.215 -0.319 13.810 190 2HD1 LEU 27 2HD1 LEU 27 0.042 -1.433 13.068 191 3HD1 LEU 27 3HD1 LEU 27 1.760 -1.885 13.163 192 1HD2 LEU 27 1HD2 LEU 27 1.193 -2.435 10.935 193 2HD2 LEU 27 2HD2 LEU 27 0.794 -1.196 9.721 194 3HD2 LEU 27 3HD2 LEU 27 2.488 -1.464 10.195 195 H ASP 28 H ASP 28 0.814 4.359 10.025 196 HA ASP 28 HA ASP 28 -1.782 4.608 8.940 197 1HB ASP 28 2HB ASP 28 -1.515 4.914 11.771 198 2HB ASP 28 1HB ASP 28 -1.671 6.535 11.127 199 H LEU 29 H LEU 29 1.099 5.129 8.322 200 HA LEU 29 HA LEU 29 1.405 7.991 8.533 201 1HB LEU 29 2HB LEU 29 3.231 6.227 8.786 202 2HB LEU 29 1HB LEU 29 3.161 6.048 7.045 203 HG LEU 29 HG LEU 29 3.552 8.624 6.989 204 1HD1 LEU 29 1HD1 LEU 29 3.227 8.639 9.587 205 2HD1 LEU 29 2HD1 LEU 29 4.946 8.180 9.606 206 3HD1 LEU 29 3HD1 LEU 29 4.438 9.695 8.823 207 1HD2 LEU 29 1HD2 LEU 29 6.079 8.179 7.321 208 2HD2 LEU 29 2HD2 LEU 29 5.587 6.490 7.590 209 3HD2 LEU 29 3HD2 LEU 29 5.207 7.292 6.047 210 H ASN 30 H ASN 30 -0.230 8.958 7.319 211 HA ASN 30 HA ASN 30 -1.372 8.206 5.083 212 1HB ASN 30 2HB ASN 30 -0.795 10.751 6.358 213 2HB ASN 30 1HB ASN 30 -0.647 10.967 4.625 214 1HD2 ASN 30 1HD2 ASN 30 -2.717 8.968 6.731 215 2HD2 ASN 30 2HD2 ASN 30 -4.242 9.483 6.093 216 H LEU 31 H LEU 31 -0.156 7.044 3.508 217 HA LEU 31 HA LEU 31 2.415 7.676 2.699 218 1HB LEU 31 2HB LEU 31 0.183 6.217 1.284 219 2HB LEU 31 1HB LEU 31 1.832 6.285 0.695 220 HG LEU 31 HG LEU 31 1.627 5.383 3.487 221 1HD1 LEU 31 1HD1 LEU 31 -0.455 4.476 2.051 222 2HD1 LEU 31 2HD1 LEU 31 0.771 3.272 1.585 223 3HD1 LEU 31 3HD1 LEU 31 0.368 3.513 3.302 224 1HD2 LEU 31 1HD2 LEU 31 3.090 3.546 2.514 225 2HD2 LEU 31 2HD2 LEU 31 3.029 4.447 0.981 226 3HD2 LEU 31 3HD2 LEU 31 3.726 5.207 2.432 227 H PHE 32 H PHE 32 -0.601 9.286 2.085 228 HA PHE 32 HA PHE 32 0.433 10.554 -0.315 229 1HB PHE 32 2HB PHE 32 -2.176 10.448 1.278 230 2HB PHE 32 1HB PHE 32 -1.959 11.706 0.076 231 HD1 PHE 32 1HD PHE 32 -1.311 10.908 -2.318 232 HD2 PHE 32 2HD PHE 32 -3.019 8.382 0.634 233 HE1 PHE 32 1HE PHE 32 -2.073 9.326 -4.112 234 HE2 PHE 32 2HE PHE 32 -3.782 6.800 -1.161 235 HZ PHE 32 HZ PHE 32 -3.299 7.292 -3.512 236 H GLU 33 H GLU 33 -0.996 11.565 2.878 237 HA GLU 33 HA GLU 33 -0.405 14.213 2.639 238 1HB GLU 33 2HB GLU 33 -1.659 12.717 4.499 239 2HB GLU 33 1HB GLU 33 -0.141 12.935 5.347 240 1HG GLU 33 2HG GLU 33 -1.290 15.402 4.098 241 2HG GLU 33 1HG GLU 33 -2.204 14.736 5.437 242 H THR 34 H THR 34 1.746 11.505 3.123 243 HA THR 34 HA THR 34 3.863 13.118 4.263 244 HB THR 34 HB THR 34 5.080 10.897 4.104 245 HG1 THR 34 1HG THR 34 2.529 9.783 3.369 246 1HG2 THR 34 1HG2 THR 34 3.031 9.557 5.305 247 2HG2 THR 34 2HG2 THR 34 3.981 10.797 6.158 248 3HG2 THR 34 3HG2 THR 34 2.406 11.218 5.445 249 H GLY 35 H GLY 35 2.622 12.325 1.113 250 1HA GLY 35 2HA GLY 35 3.287 13.233 -0.870 251 2HA GLY 35 1HA GLY 35 4.718 13.896 -0.105 252 H LEU 36 H LEU 36 4.481 10.656 0.855 253 HA LEU 36 HA LEU 36 6.750 9.902 -0.592 254 1HB LEU 36 2HB LEU 36 4.734 8.462 1.099 255 2HB LEU 36 1HB LEU 36 5.962 7.565 0.229 256 HG LEU 36 HG LEU 36 6.462 9.721 2.301 257 1HD1 LEU 36 1HD1 LEU 36 5.745 7.062 2.676 258 2HD1 LEU 36 2HD1 LEU 36 7.515 7.069 2.864 259 3HD1 LEU 36 3HD1 LEU 36 6.509 8.141 3.867 260 1HD2 LEU 36 1HD2 LEU 36 8.456 9.969 1.348 261 2HD2 LEU 36 2HD2 LEU 36 8.826 8.315 1.891 262 3HD2 LEU 36 3HD2 LEU 36 8.189 8.591 0.252 263 H LEU 37 H LEU 37 3.235 9.492 -1.165 264 HA LEU 37 HA LEU 37 3.926 8.217 -3.719 265 1HB LEU 37 2HB LEU 37 2.365 7.205 -1.762 266 2HB LEU 37 1HB LEU 37 1.158 8.085 -2.679 267 HG LEU 37 HG LEU 37 2.941 6.428 -4.340 268 1HD1 LEU 37 1HD1 LEU 37 2.784 5.038 -2.285 269 2HD1 LEU 37 2HD1 LEU 37 1.014 5.034 -2.465 270 3HD1 LEU 37 3HD1 LEU 37 2.039 4.289 -3.716 271 1HD2 LEU 37 1HD2 LEU 37 0.450 7.638 -4.571 272 2HD2 LEU 37 2HD2 LEU 37 1.196 6.501 -5.719 273 3HD2 LEU 37 3HD2 LEU 37 0.083 5.900 -4.466 274 H ASP 38 H ASP 38 2.076 8.710 -5.431 275 HA ASP 38 HA ASP 38 1.439 11.542 -5.182 276 1HB ASP 38 2HB ASP 38 1.787 11.539 -7.776 277 2HB ASP 38 1HB ASP 38 3.200 11.619 -6.743 278 H SER 39 H SER 39 0.969 8.584 -7.276 279 HA SER 39 HA SER 39 -1.670 8.238 -6.740 280 1HB SER 39 2HB SER 39 -2.692 9.139 -8.917 281 2HB SER 39 1HB SER 39 -2.307 10.327 -7.688 282 HG SER 39 HG SER 39 -1.596 10.658 -10.071 283 H MET 40 H MET 40 0.919 8.286 -9.224 284 HA MET 40 HA MET 40 -0.167 6.062 -10.614 285 1HB MET 40 2HB MET 40 1.252 7.814 -11.709 286 2HB MET 40 1HB MET 40 2.597 7.398 -10.666 287 1HG MET 40 2HG MET 40 3.195 5.629 -11.977 288 2HG MET 40 1HG MET 40 1.555 5.015 -12.029 289 1HE MET 40 1HE MET 40 0.684 5.182 -15.321 290 2HE MET 40 2HE MET 40 0.312 4.835 -13.615 291 3HE MET 40 3HE MET 40 -0.323 6.311 -14.382 292 H GLY 41 H GLY 41 2.004 6.577 -7.880 293 1HA GLY 41 2HA GLY 41 3.549 4.280 -7.922 294 2HA GLY 41 1HA GLY 41 3.030 5.143 -6.488 295 H THR 42 H THR 42 0.248 4.819 -6.500 296 HA THR 42 HA THR 42 -0.048 2.287 -5.397 297 HB THR 42 HB THR 42 -1.623 4.684 -5.957 298 HG1 THR 42 1HG THR 42 -1.671 4.102 -3.821 299 1HG2 THR 42 1HG2 THR 42 -3.052 3.357 -7.423 300 2HG2 THR 42 2HG2 THR 42 -2.954 1.955 -6.332 301 3HG2 THR 42 3HG2 THR 42 -3.850 3.409 -5.832 302 H VAL 43 H VAL 43 -0.761 3.465 -8.727 303 HA VAL 43 HA VAL 43 -2.055 1.230 -9.657 304 HB VAL 43 HB VAL 43 -0.135 3.108 -11.048 305 1HG1 VAL 43 1HG1 VAL 43 -2.018 1.007 -12.133 306 2HG1 VAL 43 2HG1 VAL 43 -1.517 2.413 -13.102 307 3HG1 VAL 43 3HG1 VAL 43 -0.296 1.264 -12.503 308 1HG2 VAL 43 1HG2 VAL 43 -3.138 3.209 -11.236 309 2HG2 VAL 43 2HG2 VAL 43 -2.299 3.952 -9.853 310 3HG2 VAL 43 3HG2 VAL 43 -1.940 4.497 -11.509 311 H GLN 44 H GLN 44 1.509 1.941 -9.708 312 HA GLN 44 HA GLN 44 2.233 -0.454 -10.838 313 1HB GLN 44 2HB GLN 44 3.702 1.561 -10.548 314 2HB GLN 44 1HB GLN 44 3.815 1.216 -8.834 315 1HG GLN 44 2HG GLN 44 5.181 -0.647 -9.146 316 2HG GLN 44 1HG GLN 44 4.484 -1.037 -10.705 317 1HE2 GLN 44 1HE2 GLN 44 6.208 -1.122 -11.979 318 2HE2 GLN 44 2HE2 GLN 44 7.326 0.168 -12.275 319 H LEU 45 H LEU 45 2.228 0.482 -7.319 320 HA LEU 45 HA LEU 45 3.042 -1.846 -6.224 321 1HB LEU 45 2HB LEU 45 2.655 -0.638 -4.432 322 2HB LEU 45 1HB LEU 45 1.741 0.515 -5.386 323 HG LEU 45 HG LEU 45 -0.303 -0.921 -5.028 324 1HD1 LEU 45 1HD1 LEU 45 1.449 -2.844 -4.206 325 2HD1 LEU 45 2HD1 LEU 45 0.861 -2.211 -2.650 326 3HD1 LEU 45 3HD1 LEU 45 -0.296 -2.830 -3.852 327 1HD2 LEU 45 1HD2 LEU 45 0.672 -0.114 -2.326 328 2HD2 LEU 45 2HD2 LEU 45 0.602 1.128 -3.600 329 3HD2 LEU 45 3HD2 LEU 45 -0.869 0.234 -3.147 330 H LEU 46 H LEU 46 -0.227 -1.065 -7.514 331 HA LEU 46 HA LEU 46 -1.514 -3.351 -6.622 332 1HB LEU 46 2HB LEU 46 -1.971 -1.193 -8.507 333 2HB LEU 46 1HB LEU 46 -2.625 -2.706 -9.099 334 HG LEU 46 HG LEU 46 -3.229 -1.626 -6.338 335 1HD1 LEU 46 1HD1 LEU 46 -4.288 0.039 -7.422 336 2HD1 LEU 46 2HD1 LEU 46 -4.324 -0.842 -8.969 337 3HD1 LEU 46 3HD1 LEU 46 -5.528 -1.207 -7.709 338 1HD2 LEU 46 1HD2 LEU 46 -5.293 -3.252 -7.474 339 2HD2 LEU 46 2HD2 LEU 46 -3.740 -4.114 -7.596 340 3HD2 LEU 46 3HD2 LEU 46 -4.313 -3.531 -6.014 341 H LEU 47 H LEU 47 0.463 -2.743 -9.577 342 HA LEU 47 HA LEU 47 -0.021 -5.116 -10.874 343 1HB LEU 47 2HB LEU 47 1.401 -2.946 -11.415 344 2HB LEU 47 1HB LEU 47 2.727 -3.958 -10.876 345 HG LEU 47 HG LEU 47 2.459 -4.004 -13.309 346 1HD1 LEU 47 1HD1 LEU 47 3.110 -6.148 -13.456 347 2HD1 LEU 47 2HD1 LEU 47 2.966 -6.122 -11.681 348 3HD1 LEU 47 3HD1 LEU 47 1.635 -6.764 -12.673 349 1HD2 LEU 47 1HD2 LEU 47 -0.016 -3.640 -13.306 350 2HD2 LEU 47 2HD2 LEU 47 0.543 -4.917 -14.412 351 3HD2 LEU 47 3HD2 LEU 47 -0.214 -5.352 -12.861 352 H GLU 48 H GLU 48 2.266 -4.377 -8.190 353 HA GLU 48 HA GLU 48 3.222 -7.071 -8.232 354 1HB GLU 48 2HB GLU 48 4.074 -4.537 -7.131 355 2HB GLU 48 1HB GLU 48 4.004 -5.708 -5.829 356 1HG GLU 48 2HG GLU 48 6.183 -6.015 -6.686 357 2HG GLU 48 1HG GLU 48 5.284 -7.310 -7.450 358 H LEU 49 H LEU 49 0.583 -5.306 -6.843 359 HA LEU 49 HA LEU 49 0.326 -7.077 -4.570 360 1HB LEU 49 2HB LEU 49 -0.311 -4.470 -4.990 361 2HB LEU 49 1HB LEU 49 -1.863 -5.230 -5.285 362 HG LEU 49 HG LEU 49 -1.684 -6.349 -3.048 363 1HD1 LEU 49 1HD1 LEU 49 0.332 -6.436 -2.106 364 2HD1 LEU 49 2HD1 LEU 49 0.966 -5.138 -3.146 365 3HD1 LEU 49 3HD1 LEU 49 0.084 -4.732 -1.655 366 1HD2 LEU 49 1HD2 LEU 49 -1.629 -3.748 -1.987 367 2HD2 LEU 49 2HD2 LEU 49 -2.225 -3.579 -3.656 368 3HD2 LEU 49 3HD2 LEU 49 -3.048 -4.679 -2.524 369 H GLN 50 H GLN 50 -0.311 -7.209 -7.892 370 HA GLN 50 HA GLN 50 -2.537 -9.029 -7.400 371 1HB GLN 50 2HB GLN 50 -3.153 -7.066 -8.787 372 2HB GLN 50 1HB GLN 50 -1.873 -7.447 -9.921 373 1HG GLN 50 2HG GLN 50 -2.963 -9.400 -10.708 374 2HG GLN 50 1HG GLN 50 -3.946 -9.557 -9.266 375 1HE2 GLN 50 1HE2 GLN 50 -5.433 -7.675 -8.822 376 2HE2 GLN 50 2HE2 GLN 50 -6.315 -7.015 -10.158 377 H SER 51 H SER 51 0.609 -9.256 -7.476 378 HA SER 51 HA SER 51 0.602 -11.475 -9.371 379 1HB SER 51 2HB SER 51 2.099 -9.347 -9.823 380 2HB SER 51 1HB SER 51 3.129 -10.011 -8.571 381 HG SER 51 HG SER 51 3.939 -11.302 -10.063 382 H GLN 52 H GLN 52 2.263 -10.117 -6.428 383 HA GLN 52 HA GLN 52 2.976 -12.768 -5.624 384 1HB GLN 52 2HB GLN 52 3.364 -10.072 -4.250 385 2HB GLN 52 1HB GLN 52 4.039 -11.585 -3.679 386 1HG GLN 52 2HG GLN 52 4.933 -11.677 -6.246 387 2HG GLN 52 1HG GLN 52 4.815 -9.938 -6.068 388 1HE2 GLN 52 1HE2 GLN 52 6.671 -12.666 -5.539 389 2HE2 GLN 52 2HE2 GLN 52 7.867 -12.028 -4.459 390 H PHE 53 H PHE 53 0.409 -10.432 -5.073 391 HA PHE 53 HA PHE 53 -0.575 -12.109 -2.871 392 1HB PHE 53 2HB PHE 53 -1.377 -9.237 -3.581 393 2HB PHE 53 1HB PHE 53 -1.620 -10.050 -2.047 394 HD1 PHE 53 1HD PHE 53 1.101 -8.854 -4.294 395 HD2 PHE 53 2HD PHE 53 -0.108 -9.711 -0.318 396 HE1 PHE 53 1HE PHE 53 3.241 -7.868 -3.430 397 HE2 PHE 53 2HE PHE 53 2.032 -8.724 0.546 398 HZ PHE 53 HZ PHE 53 3.682 -7.815 -1.021 399 H GLY 54 H GLY 54 -1.109 -10.840 -6.096 400 1HA GLY 54 2HA GLY 54 -2.794 -11.068 -7.566 401 2HA GLY 54 1HA GLY 54 -3.180 -12.554 -6.721 402 H VAL 55 H VAL 55 -3.322 -9.088 -5.640 403 HA VAL 55 HA VAL 55 -5.920 -9.571 -4.514 404 HB VAL 55 HB VAL 55 -4.139 -8.223 -3.430 405 1HG1 VAL 55 1HG1 VAL 55 -3.880 -7.015 -5.914 406 2HG1 VAL 55 2HG1 VAL 55 -4.691 -5.773 -4.931 407 3HG1 VAL 55 3HG1 VAL 55 -3.142 -6.462 -4.393 408 1HG2 VAL 55 1HG2 VAL 55 -6.310 -6.240 -3.792 409 2HG2 VAL 55 2HG2 VAL 55 -6.835 -7.882 -3.349 410 3HG2 VAL 55 3HG2 VAL 55 -5.684 -7.006 -2.312 411 H ASP 56 H ASP 56 -7.804 -8.137 -5.018 412 HA ASP 56 HA ASP 56 -7.731 -7.385 -7.834 413 1HB ASP 56 2HB ASP 56 -9.091 -9.405 -7.560 414 2HB ASP 56 1HB ASP 56 -9.962 -8.695 -6.217 415 H ALA 57 H ALA 57 -8.076 -5.167 -8.025 416 HA ALA 57 HA ALA 57 -10.117 -3.914 -6.433 417 1HB ALA 57 1HB ALA 57 -7.644 -3.981 -5.278 418 2HB ALA 57 2HB ALA 57 -7.518 -2.488 -6.238 419 3HB ALA 57 3HB ALA 57 -8.819 -2.665 -5.037 420 HA PRO 58 HA PRO 58 -10.241 -1.436 -9.974 421 1HB PRO 58 2HB PRO 58 -11.216 0.947 -9.057 422 2HB PRO 58 1HB PRO 58 -12.227 -0.454 -9.346 423 1HG PRO 58 2HG PRO 58 -11.300 0.661 -6.771 424 2HG PRO 58 1HG PRO 58 -12.623 -0.447 -7.075 425 1HD PRO 58 2HD PRO 58 -10.040 -1.107 -6.017 426 2HD PRO 58 1HD PRO 58 -11.321 -2.228 -6.428 427 H VAL 59 H VAL 59 -9.776 0.987 -10.841 428 HA VAL 59 HA VAL 59 -7.292 1.881 -9.647 429 HB VAL 59 HB VAL 59 -7.435 1.025 -12.544 430 1HG1 VAL 59 1HG1 VAL 59 -5.654 2.354 -12.777 431 2HG1 VAL 59 2HG1 VAL 59 -5.602 2.688 -11.029 432 3HG1 VAL 59 3HG1 VAL 59 -4.769 1.260 -11.687 433 1HG2 VAL 59 1HG2 VAL 59 -7.446 -0.995 -11.302 434 2HG2 VAL 59 2HG2 VAL 59 -5.753 -0.733 -11.784 435 3HG2 VAL 59 3HG2 VAL 59 -6.271 -0.370 -10.121 436 H SER 60 H SER 60 -9.735 2.157 -12.298 437 HA SER 60 HA SER 60 -9.287 4.563 -13.258 438 1HB SER 60 2HB SER 60 -11.820 4.851 -13.382 439 2HB SER 60 1HB SER 60 -11.198 3.341 -14.017 440 HG SER 60 HG SER 60 -13.136 3.411 -12.393 441 H GLU 61 H GLU 61 -10.448 3.816 -9.966 442 HA GLU 61 HA GLU 61 -9.632 6.322 -9.043 443 1HB GLU 61 2HB GLU 61 -12.279 6.290 -10.102 444 2HB GLU 61 1HB GLU 61 -12.457 6.314 -8.359 445 1HG GLU 61 2HG GLU 61 -10.595 8.203 -8.462 446 2HG GLU 61 1HG GLU 61 -11.068 8.331 -10.144 447 H PHE 62 H PHE 62 -8.746 3.973 -8.191 448 HA PHE 62 HA PHE 62 -10.209 2.505 -6.401 449 1HB PHE 62 2HB PHE 62 -7.895 1.984 -5.482 450 2HB PHE 62 1HB PHE 62 -7.936 1.936 -7.233 451 HD1 PHE 62 1HD PHE 62 -7.251 4.358 -4.474 452 HD2 PHE 62 2HD PHE 62 -6.278 3.048 -8.390 453 HE1 PHE 62 1HE PHE 62 -5.371 6.020 -4.562 454 HE2 PHE 62 2HE PHE 62 -4.398 4.709 -8.479 455 HZ PHE 62 HZ PHE 62 -3.967 6.175 -6.564 456 H ASP 63 H ASP 63 -10.170 2.435 -4.016 457 HA ASP 63 HA ASP 63 -10.783 4.946 -2.966 458 1HB ASP 63 2HB ASP 63 -10.718 2.133 -2.068 459 2HB ASP 63 1HB ASP 63 -10.296 3.243 -0.780 460 H ARG 64 H ARG 64 -8.727 6.150 -3.401 461 HA ARG 64 HA ARG 64 -6.258 5.413 -2.681 462 1HB ARG 64 2HB ARG 64 -5.865 7.946 -2.291 463 2HB ARG 64 1HB ARG 64 -6.525 7.487 -3.848 464 1HG ARG 64 2HG ARG 64 -8.146 9.034 -3.408 465 2HG ARG 64 1HG ARG 64 -8.842 7.798 -2.379 466 1HD ARG 64 2HD ARG 64 -7.102 8.801 -0.583 467 2HD ARG 64 1HD ARG 64 -7.217 10.221 -1.602 468 HE ARG 64 HE ARG 64 -9.271 9.210 0.180 469 1HH1 ARG 64 2HH2 ARG 64 -8.789 10.932 -2.850 470 2HH1 ARG 64 1HH2 ARG 64 -10.311 11.755 -2.772 471 1HH2 ARG 64 2HH1 ARG 64 -11.279 10.296 0.283 472 2HH2 ARG 64 1HH1 ARG 64 -11.736 11.391 -0.978 473 H LYS 65 H LYS 65 -8.943 6.423 -0.588 474 HA LYS 65 HA LYS 65 -7.491 7.121 1.684 475 1HB LYS 65 2HB LYS 65 -9.691 7.767 1.789 476 2HB LYS 65 1HB LYS 65 -10.292 6.284 1.079 477 1HG LYS 65 2HG LYS 65 -10.356 5.167 3.103 478 2HG LYS 65 1HG LYS 65 -8.917 5.961 3.713 479 1HD LYS 65 2HD LYS 65 -11.167 7.839 3.319 480 2HD LYS 65 1HD LYS 65 -11.558 6.553 4.443 481 1HE LYS 65 2HE LYS 65 -8.885 7.444 5.054 482 2HE LYS 65 1HE LYS 65 -9.886 8.873 4.880 483 1HZ LYS 65 1HZ LYS 65 -11.483 7.363 6.311 484 2HZ LYS 65 2HZ LYS 65 -10.056 6.762 6.830 485 3HZ LYS 65 3HZ LYS 65 -10.377 8.355 6.987 486 H GLU 66 H GLU 66 -8.401 3.973 0.280 487 HA GLU 66 HA GLU 66 -7.582 2.594 2.647 488 1HB GLU 66 2HB GLU 66 -9.410 1.641 1.377 489 2HB GLU 66 1HB GLU 66 -8.484 1.672 -0.110 490 1HG GLU 66 2HG GLU 66 -7.104 -0.135 0.544 491 2HG GLU 66 1HG GLU 66 -7.404 0.120 2.253 492 H TRP 67 H TRP 67 -6.189 3.701 -0.394 493 HA TRP 67 HA TRP 67 -3.825 2.030 0.065 494 1HB TRP 67 2HB TRP 67 -4.347 3.706 -2.376 495 2HB TRP 67 1HB TRP 67 -3.259 2.346 -2.187 496 HD1 TRP 67 HD TRP 67 -6.922 3.132 -2.940 497 HE1 TRP 67 1HE TRP 67 -8.255 0.974 -3.668 498 HE3 TRP 67 3HE TRP 67 -3.248 -0.177 -1.754 499 HZ2 TRP 67 2HZ TRP 67 -7.638 -1.812 -3.665 500 HZ3 TRP 67 3HZ TRP 67 -3.694 -2.598 -2.148 501 HH2 TRP 67 HH TRP 67 -5.799 -3.432 -3.069 502 H ASP 68 H ASP 68 -4.837 4.540 1.569 503 HA ASP 68 HA ASP 68 -2.773 6.413 0.821 504 1HB ASP 68 2HB ASP 68 -4.735 7.599 1.285 505 2HB ASP 68 1HB ASP 68 -5.256 6.465 2.515 506 H THR 69 H THR 69 -3.708 4.016 3.274 507 HA THR 69 HA THR 69 -1.275 4.681 4.800 508 HB THR 69 HB THR 69 -2.832 3.405 6.623 509 HG1 THR 69 1HG THR 69 -5.042 3.935 6.088 510 1HG2 THR 69 1HG2 THR 69 -1.986 5.799 6.804 511 2HG2 THR 69 2HG2 THR 69 -3.365 6.307 5.799 512 3HG2 THR 69 3HG2 THR 69 -3.650 5.589 7.404 513 HA PRO 70 HA PRO 70 0.045 0.662 4.096 514 1HB PRO 70 2HB PRO 70 1.548 0.125 6.314 515 2HB PRO 70 1HB PRO 70 2.126 1.099 4.976 516 1HG PRO 70 2HG PRO 70 1.227 1.975 7.653 517 2HG PRO 70 1HG PRO 70 2.190 2.848 6.477 518 1HD PRO 70 2HD PRO 70 -0.593 3.243 7.052 519 2HD PRO 70 1HD PRO 70 0.341 4.035 5.798 520 H ASN 71 H ASN 71 -1.725 1.262 6.988 521 HA ASN 71 HA ASN 71 -2.034 -1.473 7.596 522 1HB ASN 71 2HB ASN 71 -2.765 1.087 8.741 523 2HB ASN 71 1HB ASN 71 -4.217 0.108 8.655 524 1HD2 ASN 71 1HD2 ASN 71 -3.272 0.805 11.065 525 2HD2 ASN 71 2HD2 ASN 71 -2.587 -0.542 11.910 526 H LYS 72 H LYS 72 -4.170 1.140 6.217 527 HA LYS 72 HA LYS 72 -6.396 -0.418 5.740 528 1HB LYS 72 2HB LYS 72 -5.380 2.209 4.959 529 2HB LYS 72 1HB LYS 72 -6.349 1.477 3.696 530 1HG LYS 72 2HG LYS 72 -8.255 1.231 5.140 531 2HG LYS 72 1HG LYS 72 -7.301 1.496 6.586 532 1HD LYS 72 2HD LYS 72 -7.006 3.779 4.800 533 2HD LYS 72 1HD LYS 72 -8.710 3.447 5.044 534 1HE LYS 72 2HE LYS 72 -6.645 3.813 7.269 535 2HE LYS 72 1HE LYS 72 -7.825 5.011 6.774 536 1HZ LYS 72 1HZ LYS 72 -8.320 2.432 8.060 537 2HZ LYS 72 2HZ LYS 72 -8.772 3.920 8.559 538 3HZ LYS 72 3HZ LYS 72 -9.514 3.227 7.279 539 H ILE 73 H ILE 73 -3.282 -0.284 4.089 540 HA ILE 73 HA ILE 73 -4.289 -1.600 1.738 541 HB ILE 73 HB ILE 73 -1.607 -0.665 2.702 542 1HG1 ILE 73 2HG1 ILE 73 -3.337 -0.006 0.301 543 2HG1 ILE 73 1HG1 ILE 73 -3.085 0.997 1.716 544 1HG2 ILE 73 1HG2 ILE 73 -2.100 -2.895 0.901 545 2HG2 ILE 73 2HG2 ILE 73 -1.207 -1.577 0.106 546 3HG2 ILE 73 3HG2 ILE 73 -0.576 -2.302 1.604 547 1HD1 ILE 73 1HD1 ILE 73 -1.181 1.848 0.840 548 2HD1 ILE 73 2HD1 ILE 73 -0.505 0.216 0.622 549 3HD1 ILE 73 3HD1 ILE 73 -1.516 0.938 -0.653 550 H ILE 74 H ILE 74 -2.041 -2.458 4.463 551 HA ILE 74 HA ILE 74 -1.628 -5.070 3.805 552 HB ILE 74 HB ILE 74 -1.616 -3.472 6.299 553 1HG1 ILE 74 2HG1 ILE 74 0.481 -5.406 5.338 554 2HG1 ILE 74 1HG1 ILE 74 0.269 -3.864 4.533 555 1HG2 ILE 74 1HG2 ILE 74 -1.898 -6.460 6.255 556 2HG2 ILE 74 2HG2 ILE 74 -0.889 -5.674 7.493 557 3HG2 ILE 74 3HG2 ILE 74 -2.616 -5.262 7.359 558 1HD1 ILE 74 1HD1 ILE 74 1.979 -3.870 6.424 559 2HD1 ILE 74 2HD1 ILE 74 0.710 -2.630 6.568 560 3HD1 ILE 74 3HD1 ILE 74 0.622 -4.111 7.551 561 H ALA 75 H ALA 75 -4.583 -3.515 4.884 562 HA ALA 75 HA ALA 75 -5.802 -5.997 5.698 563 1HB ALA 75 1HB ALA 75 -6.694 -4.282 6.940 564 2HB ALA 75 2HB ALA 75 -6.497 -3.088 5.635 565 3HB ALA 75 3HB ALA 75 -7.846 -4.249 5.583 566 H LYS 76 H LYS 76 -5.730 -3.786 2.871 567 HA LYS 76 HA LYS 76 -7.842 -5.061 1.503 568 1HB LYS 76 2HB LYS 76 -6.920 -2.719 1.144 569 2HB LYS 76 1HB LYS 76 -5.579 -3.457 0.292 570 1HG LYS 76 2HG LYS 76 -7.323 -2.798 -1.315 571 2HG LYS 76 1HG LYS 76 -7.164 -4.543 -1.297 572 1HD LYS 76 2HD LYS 76 -9.191 -4.853 -0.099 573 2HD LYS 76 1HD LYS 76 -9.189 -3.216 0.527 574 1HE LYS 76 2HE LYS 76 -10.569 -2.634 -1.179 575 2HE LYS 76 1HE LYS 76 -9.230 -2.884 -2.282 576 1HZ LYS 76 1HZ LYS 76 -9.914 -5.302 -2.190 577 2HZ LYS 76 2HZ LYS 76 -11.317 -4.786 -1.532 578 3HZ LYS 76 3HZ LYS 76 -10.883 -4.287 -3.025 579 H VAL 77 H VAL 77 -4.332 -5.630 1.801 580 HA VAL 77 HA VAL 77 -4.283 -7.507 -0.355 581 HB VAL 77 HB VAL 77 -2.386 -6.556 1.764 582 1HG1 VAL 77 1HG1 VAL 77 -0.664 -8.106 0.826 583 2HG1 VAL 77 2HG1 VAL 77 -1.965 -8.935 1.716 584 3HG1 VAL 77 3HG1 VAL 77 -1.959 -8.943 -0.064 585 1HG2 VAL 77 1HG2 VAL 77 -1.588 -6.711 -1.079 586 2HG2 VAL 77 2HG2 VAL 77 -2.964 -5.635 -0.741 587 3HG2 VAL 77 3HG2 VAL 77 -1.413 -5.386 0.096 588 H GLU 78 H GLU 78 -4.833 -7.548 3.163 589 HA GLU 78 HA GLU 78 -4.564 -10.374 3.305 590 1HB GLU 78 2HB GLU 78 -5.424 -8.198 5.226 591 2HB GLU 78 1HB GLU 78 -5.681 -9.880 5.643 592 1HG GLU 78 2HG GLU 78 -2.964 -9.372 4.587 593 2HG GLU 78 1HG GLU 78 -3.312 -8.439 6.030 594 H GLN 79 H GLN 79 -7.093 -8.049 2.562 595 HA GLN 79 HA GLN 79 -9.147 -10.015 3.044 596 1HB GLN 79 2HB GLN 79 -9.053 -7.068 2.540 597 2HB GLN 79 1HB GLN 79 -10.474 -7.900 1.941 598 1HG GLN 79 2HG GLN 79 -10.949 -8.818 4.173 599 2HG GLN 79 1HG GLN 79 -9.441 -8.181 4.802 600 1HE2 GLN 79 1HE2 GLN 79 -10.570 -7.035 6.379 601 2HE2 GLN 79 2HE2 GLN 79 -11.413 -5.560 6.043 602 H ALA 80 H ALA 80 -6.977 -10.268 0.907 603 HA ALA 80 HA ALA 80 -8.798 -10.461 -1.396 604 1HB ALA 80 1HB ALA 80 -6.954 -9.926 -2.834 605 2HB ALA 80 2HB ALA 80 -6.956 -8.708 -1.536 606 3HB ALA 80 3HB ALA 80 -5.788 -10.051 -1.494 607 H GLN 81 H GLN 81 -5.832 -11.802 0.212 608 HA GLN 81 HA GLN 81 -5.462 -14.017 -1.209 609 1HB GLN 81 2HB GLN 81 -5.428 -13.891 1.839 610 2HB GLN 81 1HB GLN 81 -4.571 -15.062 0.857 611 1HG GLN 81 2HG GLN 81 -4.061 -12.079 1.102 612 2HG GLN 81 1HG GLN 81 -2.939 -13.397 1.374 613 1HE2 GLN 81 1HE2 GLN 81 -4.301 -11.216 -0.866 614 2HE2 GLN 81 2HE2 GLN 81 -3.471 -11.725 -2.298 Start of MODEL 4 1 H ALA 2 H ALA 2 5.199 -21.242 7.053 2 HA ALA 2 HA ALA 2 4.740 -19.977 4.527 3 1HB ALA 2 1HB ALA 2 2.395 -21.003 5.960 4 2HB ALA 2 2HB ALA 2 3.088 -21.509 4.401 5 3HB ALA 2 3HB ALA 2 3.734 -22.174 5.921 6 H ASP 3 H ASP 3 2.917 -18.453 4.140 7 HA ASP 3 HA ASP 3 1.921 -16.559 4.480 8 1HB ASP 3 2HB ASP 3 1.696 -16.862 7.454 9 2HB ASP 3 1HB ASP 3 0.469 -16.400 6.292 10 H GLU 4 H GLU 4 2.054 -14.366 5.842 11 HA GLU 4 HA GLU 4 3.184 -12.895 7.059 12 1HB GLU 4 2HB GLU 4 4.353 -15.099 8.111 13 2HB GLU 4 1HB GLU 4 5.734 -14.468 7.238 14 1HG GLU 4 2HG GLU 4 6.082 -13.033 8.959 15 2HG GLU 4 1HG GLU 4 4.615 -12.195 8.489 16 H ALA 5 H ALA 5 4.357 -14.651 4.281 17 HA ALA 5 HA ALA 5 6.412 -12.811 3.571 18 1HB ALA 5 1HB ALA 5 6.175 -14.059 1.343 19 2HB ALA 5 2HB ALA 5 6.591 -15.047 2.764 20 3HB ALA 5 3HB ALA 5 4.923 -15.038 2.144 21 H ILE 6 H ILE 6 3.043 -12.551 3.739 22 HA ILE 6 HA ILE 6 2.881 -10.821 1.396 23 HB ILE 6 HB ILE 6 0.977 -12.370 3.044 24 1HG1 ILE 6 2HG1 ILE 6 1.089 -11.610 0.110 25 2HG1 ILE 6 1HG1 ILE 6 1.697 -13.097 0.809 26 1HG2 ILE 6 1HG2 ILE 6 -0.218 -10.509 3.547 27 2HG2 ILE 6 2HG2 ILE 6 0.455 -9.568 2.195 28 3HG2 ILE 6 3HG2 ILE 6 -0.827 -10.764 1.894 29 1HD1 ILE 6 1HD1 ILE 6 -0.974 -12.517 -0.052 30 2HD1 ILE 6 2HD1 ILE 6 -0.361 -14.024 0.674 31 3HD1 ILE 6 3HD1 ILE 6 -1.021 -12.738 1.714 32 H LYS 7 H LYS 7 2.255 -10.802 4.969 33 HA LYS 7 HA LYS 7 1.684 -8.077 5.108 34 1HB LYS 7 2HB LYS 7 1.658 -10.226 6.835 35 2HB LYS 7 1HB LYS 7 2.967 -9.255 7.479 36 1HG LYS 7 2HG LYS 7 1.149 -7.274 7.014 37 2HG LYS 7 1HG LYS 7 0.044 -8.610 7.270 38 1HD LYS 7 2HD LYS 7 2.281 -8.423 9.243 39 2HD LYS 7 1HD LYS 7 1.132 -7.101 9.295 40 1HE LYS 7 2HE LYS 7 0.231 -10.013 9.282 41 2HE LYS 7 1HE LYS 7 0.619 -9.173 10.770 42 1HZ LYS 7 1HZ LYS 7 -1.319 -8.136 8.825 43 2HZ LYS 7 2HZ LYS 7 -1.742 -9.084 10.086 44 3HZ LYS 7 3HZ LYS 7 -1.076 -7.618 10.354 45 H ASN 8 H ASN 8 4.734 -9.898 4.953 46 HA ASN 8 HA ASN 8 6.285 -7.674 5.776 47 1HB ASN 8 2HB ASN 8 6.725 -10.413 5.522 48 2HB ASN 8 1HB ASN 8 7.601 -9.794 4.136 49 1HD2 ASN 8 1HD2 ASN 8 8.870 -11.050 6.216 50 2HD2 ASN 8 2HD2 ASN 8 9.869 -9.937 7.090 51 H GLY 9 H GLY 9 5.839 -9.530 2.662 52 1HA GLY 9 2HA GLY 9 7.314 -7.952 0.965 53 2HA GLY 9 1HA GLY 9 5.896 -8.876 0.511 54 H VAL 10 H VAL 10 3.806 -7.613 1.863 55 HA VAL 10 HA VAL 10 3.204 -5.506 0.213 56 HB VAL 10 HB VAL 10 2.208 -6.458 2.877 57 1HG1 VAL 10 1HG1 VAL 10 1.747 -4.196 3.204 58 2HG1 VAL 10 2HG1 VAL 10 1.456 -3.898 1.474 59 3HG1 VAL 10 3HG1 VAL 10 0.256 -4.794 2.436 60 1HG2 VAL 10 1HG2 VAL 10 1.085 -7.806 1.488 61 2HG2 VAL 10 2HG2 VAL 10 0.138 -6.377 1.010 62 3HG2 VAL 10 3HG2 VAL 10 1.564 -6.858 0.059 63 H LEU 11 H LEU 11 4.776 -5.521 3.455 64 HA LEU 11 HA LEU 11 4.848 -2.671 3.581 65 1HB LEU 11 2HB LEU 11 4.882 -4.546 5.442 66 2HB LEU 11 1HB LEU 11 6.617 -4.435 5.218 67 HG LEU 11 HG LEU 11 6.674 -2.160 5.906 68 1HD1 LEU 11 1HD1 LEU 11 4.957 -0.979 4.984 69 2HD1 LEU 11 2HD1 LEU 11 3.743 -2.227 5.354 70 3HD1 LEU 11 3HD1 LEU 11 4.330 -1.147 6.641 71 1HD2 LEU 11 1HD2 LEU 11 5.577 -2.257 8.166 72 2HD2 LEU 11 2HD2 LEU 11 4.850 -3.805 7.673 73 3HD2 LEU 11 3HD2 LEU 11 6.621 -3.644 7.767 74 H ASP 12 H ASP 12 7.250 -5.297 2.895 75 HA ASP 12 HA ASP 12 9.415 -3.686 2.552 76 1HB ASP 12 2HB ASP 12 8.909 -6.363 2.319 77 2HB ASP 12 1HB ASP 12 9.076 -5.958 0.622 78 H ILE 13 H ILE 13 6.570 -4.237 0.519 79 HA ILE 13 HA ILE 13 7.822 -3.103 -1.830 80 HB ILE 13 HB ILE 13 5.289 -4.504 -1.181 81 1HG1 ILE 13 2HG1 ILE 13 6.537 -4.849 -3.811 82 2HG1 ILE 13 1HG1 ILE 13 7.648 -5.141 -2.488 83 1HG2 ILE 13 1HG2 ILE 13 4.491 -3.781 -3.546 84 2HG2 ILE 13 2HG2 ILE 13 4.191 -2.714 -2.153 85 3HG2 ILE 13 3HG2 ILE 13 5.528 -2.361 -3.273 86 1HD1 ILE 13 1HD1 ILE 13 4.954 -6.318 -2.069 87 2HD1 ILE 13 2HD1 ILE 13 5.846 -6.992 -3.453 88 3HD1 ILE 13 3HD1 ILE 13 6.562 -7.041 -1.825 89 H LEU 14 H LEU 14 5.920 -2.136 0.963 90 HA LEU 14 HA LEU 14 4.934 0.258 -0.251 91 1HB LEU 14 2HB LEU 14 4.572 -1.229 2.188 92 2HB LEU 14 1HB LEU 14 4.861 0.460 2.558 93 HG LEU 14 HG LEU 14 2.995 1.136 1.137 94 1HD1 LEU 14 1HD1 LEU 14 1.499 -0.521 0.111 95 2HD1 LEU 14 2HD1 LEU 14 3.139 -0.583 -0.579 96 3HD1 LEU 14 3HD1 LEU 14 2.617 -1.821 0.588 97 1HD2 LEU 14 1HD2 LEU 14 1.292 -0.609 2.477 98 2HD2 LEU 14 2HD2 LEU 14 2.750 -0.545 3.497 99 3HD2 LEU 14 3HD2 LEU 14 1.900 0.957 3.064 100 H ALA 15 H ALA 15 7.555 -0.602 2.098 101 HA ALA 15 HA ALA 15 8.472 2.044 2.366 102 1HB ALA 15 1HB ALA 15 10.386 -0.212 2.696 103 2HB ALA 15 2HB ALA 15 9.960 1.101 3.819 104 3HB ALA 15 3HB ALA 15 8.891 -0.313 3.656 105 H ASP 16 H ASP 16 8.973 -0.524 -0.032 106 HA ASP 16 HA ASP 16 11.314 0.612 -1.101 107 1HB ASP 16 2HB ASP 16 9.424 -1.589 -1.749 108 2HB ASP 16 1HB ASP 16 10.165 -0.865 -3.162 109 H LEU 17 H LEU 17 7.771 0.762 -1.756 110 HA LEU 17 HA LEU 17 7.870 2.082 -4.199 111 1HB LEU 17 2HB LEU 17 5.935 1.198 -2.350 112 2HB LEU 17 1HB LEU 17 5.616 2.902 -2.609 113 HG LEU 17 HG LEU 17 5.850 2.222 -5.165 114 1HD1 LEU 17 1HD1 LEU 17 5.843 0.062 -5.680 115 2HD1 LEU 17 2HD1 LEU 17 6.134 -0.283 -3.959 116 3HD1 LEU 17 3HD1 LEU 17 4.472 -0.261 -4.592 117 1HD2 LEU 17 1HD2 LEU 17 3.432 1.976 -5.272 118 2HD2 LEU 17 2HD2 LEU 17 3.369 1.632 -3.527 119 3HD2 LEU 17 3HD2 LEU 17 3.883 3.237 -4.099 120 H THR 18 H THR 18 7.601 3.406 -0.830 121 HA THR 18 HA THR 18 7.782 6.099 -1.735 122 HB THR 18 HB THR 18 7.699 6.581 0.641 123 HG1 THR 18 1HG THR 18 8.383 3.742 0.916 124 1HG2 THR 18 1HG2 THR 18 5.908 4.662 -0.479 125 2HG2 THR 18 2HG2 THR 18 6.377 4.016 1.111 126 3HG2 THR 18 3HG2 THR 18 5.647 5.635 0.989 127 H GLY 19 H GLY 19 10.124 3.674 -0.500 128 1HA GLY 19 2HA GLY 19 12.350 3.687 -1.265 129 2HA GLY 19 1HA GLY 19 12.268 5.420 -1.506 130 H SER 20 H SER 20 10.672 4.572 1.406 131 HA SER 20 HA SER 20 13.126 4.767 2.935 132 1HB SER 20 2HB SER 20 10.959 6.799 2.792 133 2HB SER 20 1HB SER 20 11.427 6.360 4.422 134 HG SER 20 HG SER 20 13.166 7.331 2.319 135 H ASP 21 H ASP 21 12.737 4.186 5.302 136 HA ASP 21 HA ASP 21 10.790 2.067 5.355 137 1HB ASP 21 2HB ASP 21 11.998 1.927 7.790 138 2HB ASP 21 1HB ASP 21 12.660 1.181 6.349 139 H ASP 22 H ASP 22 9.886 4.894 5.408 140 HA ASP 22 HA ASP 22 9.373 5.621 8.077 141 1HB ASP 22 2HB ASP 22 9.205 6.837 5.566 142 2HB ASP 22 1HB ASP 22 7.519 6.665 6.011 143 H VAL 23 H VAL 23 7.542 4.046 5.379 144 HA VAL 23 HA VAL 23 5.146 3.822 6.938 145 HB VAL 23 HB VAL 23 5.128 4.156 4.518 146 1HG1 VAL 23 1HG1 VAL 23 6.475 1.439 4.433 147 2HG1 VAL 23 2HG1 VAL 23 5.703 2.211 3.028 148 3HG1 VAL 23 3HG1 VAL 23 7.100 2.986 3.812 149 1HG2 VAL 23 1HG2 VAL 23 3.782 1.912 5.883 150 2HG2 VAL 23 2HG2 VAL 23 3.104 3.248 4.921 151 3HG2 VAL 23 3HG2 VAL 23 3.771 1.814 4.105 152 H LYS 24 H LYS 24 8.138 2.076 6.577 153 HA LYS 24 HA LYS 24 7.136 -0.502 7.158 154 1HB LYS 24 2HB LYS 24 9.301 -0.033 6.035 155 2HB LYS 24 1HB LYS 24 9.925 0.632 7.532 156 1HG LYS 24 2HG LYS 24 8.693 -2.074 7.789 157 2HG LYS 24 1HG LYS 24 10.134 -2.019 6.795 158 1HD LYS 24 2HD LYS 24 10.843 -0.434 8.990 159 2HD LYS 24 1HD LYS 24 9.857 -1.683 9.722 160 1HE LYS 24 2HE LYS 24 11.379 -3.241 8.074 161 2HE LYS 24 1HE LYS 24 12.504 -1.922 8.330 162 1HZ LYS 24 1HZ LYS 24 11.367 -2.559 10.773 163 2HZ LYS 24 2HZ LYS 24 11.840 -3.962 10.083 164 3HZ LYS 24 3HZ LYS 24 12.919 -2.757 10.306 165 H LYS 25 H LYS 25 7.641 2.389 9.034 166 HA LYS 25 HA LYS 25 7.561 0.809 11.501 167 1HB LYS 25 2HB LYS 25 9.442 2.279 11.461 168 2HB LYS 25 1HB LYS 25 8.473 3.632 10.916 169 1HG LYS 25 2HG LYS 25 7.545 2.357 13.453 170 2HG LYS 25 1HG LYS 25 9.106 3.148 13.549 171 1HD LYS 25 2HD LYS 25 7.204 4.815 12.072 172 2HD LYS 25 1HD LYS 25 6.551 4.385 13.640 173 1HE LYS 25 2HE LYS 25 8.117 5.626 14.785 174 2HE LYS 25 1HE LYS 25 9.420 5.179 13.702 175 1HZ LYS 25 1HZ LYS 25 8.554 6.729 12.096 176 2HZ LYS 25 2HZ LYS 25 7.310 7.129 13.077 177 3HZ LYS 25 3HZ LYS 25 8.842 7.498 13.509 178 H ASN 26 H ASN 26 6.337 4.072 10.484 179 HA ASN 26 HA ASN 26 4.207 4.023 12.195 180 1HB ASN 26 2HB ASN 26 4.848 5.496 9.629 181 2HB ASN 26 1HB ASN 26 3.226 5.649 10.272 182 1HD2 ASN 26 1HD2 ASN 26 2.836 7.027 11.854 183 2HD2 ASN 26 2HD2 ASN 26 4.015 7.890 12.785 184 H LEU 27 H LEU 27 2.093 3.150 12.045 185 HA LEU 27 HA LEU 27 1.550 1.609 9.609 186 1HB LEU 27 2HB LEU 27 0.568 1.240 12.442 187 2HB LEU 27 1HB LEU 27 0.020 0.303 11.066 188 HG LEU 27 HG LEU 27 2.904 0.409 11.984 189 1HD1 LEU 27 1HD1 LEU 27 1.330 -0.538 13.701 190 2HD1 LEU 27 2HD1 LEU 27 0.920 -1.810 12.525 191 3HD1 LEU 27 3HD1 LEU 27 2.589 -1.657 13.124 192 1HD2 LEU 27 1HD2 LEU 27 2.861 -0.224 9.716 193 2HD2 LEU 27 2HD2 LEU 27 2.997 -1.745 10.631 194 3HD2 LEU 27 3HD2 LEU 27 1.429 -1.257 9.942 195 H ASP 28 H ASP 28 1.179 4.538 9.917 196 HA ASP 28 HA ASP 28 -1.457 4.601 8.938 197 1HB ASP 28 2HB ASP 28 -1.162 4.961 11.751 198 2HB ASP 28 1HB ASP 28 -1.402 6.570 11.100 199 H LEU 29 H LEU 29 1.349 5.296 8.210 200 HA LEU 29 HA LEU 29 1.439 8.187 8.346 201 1HB LEU 29 2HB LEU 29 3.459 6.926 8.763 202 2HB LEU 29 1HB LEU 29 3.328 6.122 7.212 203 HG LEU 29 HG LEU 29 3.383 8.673 6.349 204 1HD1 LEU 29 1HD1 LEU 29 3.592 9.878 8.321 205 2HD1 LEU 29 2HD1 LEU 29 4.691 8.688 9.057 206 3HD1 LEU 29 3HD1 LEU 29 5.274 9.751 7.754 207 1HD2 LEU 29 1HD2 LEU 29 5.336 8.076 5.412 208 2HD2 LEU 29 2HD2 LEU 29 6.081 7.654 6.972 209 3HD2 LEU 29 3HD2 LEU 29 5.001 6.496 6.160 210 H ASN 30 H ASN 30 -0.111 9.107 7.050 211 HA ASN 30 HA ASN 30 -1.303 8.199 4.904 212 1HB ASN 30 2HB ASN 30 -0.131 11.022 4.899 213 2HB ASN 30 1HB ASN 30 -1.646 10.505 4.185 214 1HD2 ASN 30 1HD2 ASN 30 -2.731 8.925 6.122 215 2HD2 ASN 30 2HD2 ASN 30 -3.113 9.846 7.537 216 H LEU 31 H LEU 31 -0.660 7.422 2.884 217 HA LEU 31 HA LEU 31 2.093 7.889 2.091 218 1HB LEU 31 2HB LEU 31 -0.035 6.042 1.001 219 2HB LEU 31 1HB LEU 31 1.615 6.135 0.419 220 HG LEU 31 HG LEU 31 1.070 5.530 3.315 221 1HD1 LEU 31 1HD1 LEU 31 0.033 3.628 2.839 222 2HD1 LEU 31 2HD1 LEU 31 0.227 3.903 1.092 223 3HD1 LEU 31 3HD1 LEU 31 1.507 3.075 2.010 224 1HD2 LEU 31 1HD2 LEU 31 3.289 4.445 1.595 225 2HD2 LEU 31 2HD2 LEU 31 3.382 6.075 2.304 226 3HD2 LEU 31 3HD2 LEU 31 3.224 4.653 3.362 227 H PHE 32 H PHE 32 -0.560 9.718 1.913 228 HA PHE 32 HA PHE 32 0.122 10.623 -0.791 229 1HB PHE 32 2HB PHE 32 -2.351 9.521 0.266 230 2HB PHE 32 1HB PHE 32 -2.628 11.231 0.004 231 HD1 PHE 32 1HD PHE 32 -2.650 12.162 -2.230 232 HD2 PHE 32 2HD PHE 32 -1.866 8.036 -1.618 233 HE1 PHE 32 1HE PHE 32 -3.023 11.729 -4.673 234 HE2 PHE 32 2HE PHE 32 -2.239 7.603 -4.062 235 HZ PHE 32 HZ PHE 32 -2.812 9.454 -5.560 236 H GLU 33 H GLU 33 -1.436 11.416 2.385 237 HA GLU 33 HA GLU 33 -1.354 14.179 1.903 238 1HB GLU 33 2HB GLU 33 -2.290 12.375 3.970 239 2HB GLU 33 1HB GLU 33 -1.397 13.683 4.720 240 1HG GLU 33 2HG GLU 33 -3.174 14.643 2.568 241 2HG GLU 33 1HG GLU 33 -4.056 13.793 3.821 242 H THR 34 H THR 34 1.072 11.870 2.669 243 HA THR 34 HA THR 34 2.758 13.873 3.985 244 HB THR 34 HB THR 34 3.158 10.868 3.544 245 HG1 THR 34 1HG THR 34 2.472 11.000 5.901 246 1HG2 THR 34 1HG2 THR 34 5.246 12.163 4.131 247 2HG2 THR 34 2HG2 THR 34 4.397 12.830 5.546 248 3HG2 THR 34 3HG2 THR 34 4.728 11.085 5.449 249 H GLY 35 H GLY 35 2.044 12.588 0.883 250 1HA GLY 35 2HA GLY 35 2.957 13.310 -1.089 251 2HA GLY 35 1HA GLY 35 4.308 14.021 -0.228 252 H LEU 36 H LEU 36 4.027 11.008 1.150 253 HA LEU 36 HA LEU 36 6.361 9.998 0.240 254 1HB LEU 36 2HB LEU 36 3.918 8.874 1.478 255 2HB LEU 36 1HB LEU 36 5.000 7.719 0.727 256 HG LEU 36 HG LEU 36 5.597 7.823 3.012 257 1HD1 LEU 36 1HD1 LEU 36 7.802 9.573 2.359 258 2HD1 LEU 36 2HD1 LEU 36 7.775 7.808 2.584 259 3HD1 LEU 36 3HD1 LEU 36 7.413 8.507 0.987 260 1HD2 LEU 36 1HD2 LEU 36 6.398 10.197 3.888 261 2HD2 LEU 36 2HD2 LEU 36 5.213 10.765 2.687 262 3HD2 LEU 36 3HD2 LEU 36 4.700 9.673 3.997 263 H LEU 37 H LEU 37 3.145 9.830 -1.317 264 HA LEU 37 HA LEU 37 4.505 8.744 -3.675 265 1HB LEU 37 2HB LEU 37 2.086 7.720 -2.263 266 2HB LEU 37 1HB LEU 37 2.113 7.651 -4.015 267 HG LEU 37 HG LEU 37 4.128 6.379 -2.143 268 1HD1 LEU 37 1HD1 LEU 37 1.627 5.480 -2.688 269 2HD1 LEU 37 2HD1 LEU 37 2.550 4.718 -4.006 270 3HD1 LEU 37 3HD1 LEU 37 3.017 4.432 -2.313 271 1HD2 LEU 37 1HD2 LEU 37 5.540 6.553 -3.870 272 2HD2 LEU 37 2HD2 LEU 37 4.554 5.274 -4.617 273 3HD2 LEU 37 3HD2 LEU 37 4.245 6.981 -5.014 274 H ASP 38 H ASP 38 2.874 9.033 -5.663 275 HA ASP 38 HA ASP 38 1.678 11.671 -5.340 276 1HB ASP 38 2HB ASP 38 3.873 10.855 -7.043 277 2HB ASP 38 1HB ASP 38 2.514 11.269 -8.068 278 H SER 39 H SER 39 2.036 8.847 -7.630 279 HA SER 39 HA SER 39 -0.676 8.229 -7.535 280 1HB SER 39 2HB SER 39 -1.012 10.256 -8.856 281 2HB SER 39 1HB SER 39 0.249 9.794 -9.981 282 HG SER 39 HG SER 39 -2.123 8.198 -9.537 283 H MET 40 H MET 40 1.883 8.386 -10.130 284 HA MET 40 HA MET 40 1.495 5.997 -11.249 285 1HB MET 40 2HB MET 40 4.011 7.601 -10.631 286 2HB MET 40 1HB MET 40 4.162 6.068 -11.467 287 1HG MET 40 2HG MET 40 2.021 7.709 -12.641 288 2HG MET 40 1HG MET 40 3.548 8.569 -12.634 289 1HE MET 40 1HE MET 40 2.063 6.438 -15.725 290 2HE MET 40 2HE MET 40 1.964 5.052 -14.614 291 3HE MET 40 3HE MET 40 1.287 6.626 -14.134 292 H GLY 41 H GLY 41 3.198 6.656 -8.155 293 1HA GLY 41 2HA GLY 41 4.394 4.191 -7.730 294 2HA GLY 41 1HA GLY 41 3.838 5.293 -6.487 295 H THR 42 H THR 42 1.190 5.339 -6.426 296 HA THR 42 HA THR 42 0.397 2.986 -5.282 297 HB THR 42 HB THR 42 -0.671 5.547 -5.874 298 HG1 THR 42 1HG THR 42 -1.431 4.816 -3.931 299 1HG2 THR 42 1HG2 THR 42 -1.848 4.276 -7.834 300 2HG2 THR 42 2HG2 THR 42 -2.710 3.385 -6.556 301 3HG2 THR 42 3HG2 THR 42 -2.893 5.151 -6.689 302 H VAL 43 H VAL 43 0.231 3.927 -8.739 303 HA VAL 43 HA VAL 43 -1.380 1.830 -9.582 304 HB VAL 43 HB VAL 43 0.875 3.220 -11.042 305 1HG1 VAL 43 1HG1 VAL 43 -1.520 2.380 -12.539 306 2HG1 VAL 43 2HG1 VAL 43 0.206 2.232 -12.952 307 3HG1 VAL 43 3HG1 VAL 43 -0.560 1.034 -11.880 308 1HG2 VAL 43 1HG2 VAL 43 -1.248 4.472 -9.885 309 2HG2 VAL 43 2HG2 VAL 43 -0.429 5.040 -11.359 310 3HG2 VAL 43 3HG2 VAL 43 -1.923 4.080 -11.485 311 H GLN 44 H GLN 44 2.250 2.076 -9.607 312 HA GLN 44 HA GLN 44 2.705 -0.471 -10.459 313 1HB GLN 44 2HB GLN 44 4.377 1.432 -10.162 314 2HB GLN 44 1HB GLN 44 4.430 1.042 -8.454 315 1HG GLN 44 2HG GLN 44 5.605 -0.928 -8.790 316 2HG GLN 44 1HG GLN 44 4.813 -1.270 -10.315 317 1HE2 GLN 44 1HE2 GLN 44 7.140 0.883 -8.740 318 2HE2 GLN 44 2HE2 GLN 44 8.151 1.175 -10.116 319 H LEU 45 H LEU 45 2.368 0.763 -7.068 320 HA LEU 45 HA LEU 45 2.936 -1.522 -5.699 321 1HB LEU 45 2HB LEU 45 2.512 -0.080 -4.094 322 2HB LEU 45 1HB LEU 45 1.689 0.989 -5.212 323 HG LEU 45 HG LEU 45 -0.429 -0.187 -4.818 324 1HD1 LEU 45 1HD1 LEU 45 -0.443 -2.278 -4.084 325 2HD1 LEU 45 2HD1 LEU 45 1.293 -2.199 -3.699 326 3HD1 LEU 45 3HD1 LEU 45 0.090 -1.692 -2.490 327 1HD2 LEU 45 1HD2 LEU 45 0.964 1.472 -3.001 328 2HD2 LEU 45 2HD2 LEU 45 -0.795 1.271 -3.188 329 3HD2 LEU 45 3HD2 LEU 45 0.099 0.255 -2.032 330 H LEU 46 H LEU 46 -0.132 -0.601 -7.351 331 HA LEU 46 HA LEU 46 -1.599 -2.804 -6.434 332 1HB LEU 46 2HB LEU 46 -1.907 -0.592 -8.272 333 2HB LEU 46 1HB LEU 46 -2.589 -2.059 -8.949 334 HG LEU 46 HG LEU 46 -3.306 -0.810 -6.283 335 1HD1 LEU 46 1HD1 LEU 46 -5.172 -1.187 -8.609 336 2HD1 LEU 46 2HD1 LEU 46 -5.288 -0.068 -7.230 337 3HD1 LEU 46 3HD1 LEU 46 -4.099 0.230 -8.519 338 1HD2 LEU 46 1HD2 LEU 46 -3.508 -3.130 -5.935 339 2HD2 LEU 46 2HD2 LEU 46 -5.151 -2.563 -6.321 340 3HD2 LEU 46 3HD2 LEU 46 -4.185 -3.401 -7.560 341 H LEU 47 H LEU 47 0.801 -2.369 -9.012 342 HA LEU 47 HA LEU 47 0.127 -4.710 -10.438 343 1HB LEU 47 2HB LEU 47 1.911 -2.540 -10.671 344 2HB LEU 47 1HB LEU 47 2.904 -3.984 -10.659 345 HG LEU 47 HG LEU 47 2.290 -3.258 -12.931 346 1HD1 LEU 47 1HD1 LEU 47 1.921 -5.390 -13.799 347 2HD1 LEU 47 2HD1 LEU 47 2.662 -5.704 -12.211 348 3HD1 LEU 47 3HD1 LEU 47 0.904 -5.884 -12.424 349 1HD2 LEU 47 1HD2 LEU 47 -0.037 -2.443 -12.108 350 2HD2 LEU 47 2HD2 LEU 47 0.129 -3.113 -13.749 351 3HD2 LEU 47 3HD2 LEU 47 -0.549 -4.115 -12.444 352 H GLU 48 H GLU 48 2.244 -3.976 -7.642 353 HA GLU 48 HA GLU 48 3.341 -6.598 -7.660 354 1HB GLU 48 2HB GLU 48 3.794 -4.078 -6.264 355 2HB GLU 48 1HB GLU 48 3.767 -5.403 -5.118 356 1HG GLU 48 2HG GLU 48 5.463 -5.326 -7.660 357 2HG GLU 48 1HG GLU 48 6.058 -4.980 -6.049 358 H LEU 49 H LEU 49 0.508 -4.994 -6.340 359 HA LEU 49 HA LEU 49 0.087 -7.023 -4.329 360 1HB LEU 49 2HB LEU 49 -1.267 -4.490 -5.162 361 2HB LEU 49 1HB LEU 49 -2.161 -5.670 -4.226 362 HG LEU 49 HG LEU 49 0.291 -4.108 -3.430 363 1HD1 LEU 49 1HD1 LEU 49 -1.065 -3.367 -1.585 364 2HD1 LEU 49 2HD1 LEU 49 -1.962 -3.115 -3.102 365 3HD1 LEU 49 3HD1 LEU 49 -2.375 -4.484 -2.042 366 1HD2 LEU 49 1HD2 LEU 49 -0.721 -6.690 -2.254 367 2HD2 LEU 49 2HD2 LEU 49 0.942 -6.217 -2.676 368 3HD2 LEU 49 3HD2 LEU 49 0.140 -5.489 -1.263 369 H GLN 50 H GLN 50 -0.338 -6.704 -7.699 370 HA GLN 50 HA GLN 50 -2.530 -8.626 -7.601 371 1HB GLN 50 2HB GLN 50 -2.985 -6.450 -8.795 372 2HB GLN 50 1HB GLN 50 -1.703 -6.834 -9.927 373 1HG GLN 50 2HG GLN 50 -3.317 -9.165 -9.851 374 2HG GLN 50 1HG GLN 50 -4.458 -7.834 -9.840 375 1HE2 GLN 50 1HE2 GLN 50 -5.207 -8.040 -11.873 376 2HE2 GLN 50 2HE2 GLN 50 -4.276 -7.776 -13.310 377 H SER 51 H SER 51 0.595 -8.847 -7.419 378 HA SER 51 HA SER 51 0.808 -10.774 -9.601 379 1HB SER 51 2HB SER 51 2.345 -8.591 -9.480 380 2HB SER 51 1HB SER 51 3.253 -9.545 -8.325 381 HG SER 51 HG SER 51 4.052 -10.733 -9.917 382 H GLN 52 H GLN 52 2.146 -9.891 -6.328 383 HA GLN 52 HA GLN 52 2.703 -12.666 -5.852 384 1HB GLN 52 2HB GLN 52 3.134 -10.170 -4.153 385 2HB GLN 52 1HB GLN 52 3.619 -11.780 -3.661 386 1HG GLN 52 2HG GLN 52 4.525 -10.977 -6.391 387 2HG GLN 52 1HG GLN 52 5.220 -10.044 -5.081 388 1HE2 GLN 52 1HE2 GLN 52 6.893 -10.825 -4.036 389 2HE2 GLN 52 2HE2 GLN 52 7.469 -12.459 -4.064 390 H PHE 53 H PHE 53 0.184 -10.314 -5.246 391 HA PHE 53 HA PHE 53 -1.059 -12.207 -3.375 392 1HB PHE 53 2HB PHE 53 -1.666 -9.220 -3.645 393 2HB PHE 53 1HB PHE 53 -1.992 -10.251 -2.266 394 HD1 PHE 53 1HD PHE 53 0.848 -8.841 -4.223 395 HD2 PHE 53 2HD PHE 53 -0.527 -10.251 -0.464 396 HE1 PHE 53 1HE PHE 53 2.996 -8.097 -3.158 397 HE2 PHE 53 2HE PHE 53 1.621 -9.507 0.601 398 HZ PHE 53 HZ PHE 53 3.356 -8.440 -0.759 399 H GLY 54 H GLY 54 -1.109 -10.907 -6.504 400 1HA GLY 54 2HA GLY 54 -2.707 -10.643 -8.087 401 2HA GLY 54 1HA GLY 54 -3.280 -12.175 -7.458 402 H VAL 55 H VAL 55 -3.250 -8.938 -5.837 403 HA VAL 55 HA VAL 55 -5.737 -9.184 -4.711 404 HB VAL 55 HB VAL 55 -3.856 -7.508 -4.306 405 1HG1 VAL 55 1HG1 VAL 55 -3.438 -5.855 -5.752 406 2HG1 VAL 55 2HG1 VAL 55 -4.511 -6.689 -6.902 407 3HG1 VAL 55 3HG1 VAL 55 -5.160 -5.412 -5.845 408 1HG2 VAL 55 1HG2 VAL 55 -6.604 -7.462 -3.723 409 2HG2 VAL 55 2HG2 VAL 55 -5.305 -6.584 -2.880 410 3HG2 VAL 55 3HG2 VAL 55 -6.198 -5.797 -4.205 411 H ASP 56 H ASP 56 -7.757 -7.893 -5.229 412 HA ASP 56 HA ASP 56 -8.093 -7.732 -8.118 413 1HB ASP 56 2HB ASP 56 -9.632 -9.267 -6.072 414 2HB ASP 56 1HB ASP 56 -10.623 -8.366 -7.203 415 H ALA 57 H ALA 57 -7.453 -5.404 -7.045 416 HA ALA 57 HA ALA 57 -9.901 -4.126 -6.062 417 1HB ALA 57 1HB ALA 57 -8.060 -3.816 -4.564 418 2HB ALA 57 2HB ALA 57 -6.950 -3.421 -5.898 419 3HB ALA 57 3HB ALA 57 -8.243 -2.283 -5.450 420 HA PRO 58 HA PRO 58 -10.256 -1.898 -9.750 421 1HB PRO 58 2HB PRO 58 -11.371 0.460 -8.935 422 2HB PRO 58 1HB PRO 58 -12.292 -1.018 -9.133 423 1HG PRO 58 2HG PRO 58 -11.397 0.287 -6.636 424 2HG PRO 58 1HG PRO 58 -12.648 -0.918 -6.856 425 1HD PRO 58 2HD PRO 58 -10.010 -1.353 -5.819 426 2HD PRO 58 1HD PRO 58 -11.221 -2.576 -6.148 427 H VAL 59 H VAL 59 -10.015 0.590 -10.658 428 HA VAL 59 HA VAL 59 -7.528 1.631 -9.603 429 HB VAL 59 HB VAL 59 -7.712 0.875 -12.514 430 1HG1 VAL 59 1HG1 VAL 59 -5.961 2.292 -12.537 431 2HG1 VAL 59 2HG1 VAL 59 -5.746 2.214 -10.772 432 3HG1 VAL 59 3HG1 VAL 59 -5.062 0.939 -11.809 433 1HG2 VAL 59 1HG2 VAL 59 -6.414 -0.721 -10.279 434 2HG2 VAL 59 2HG2 VAL 59 -7.851 -1.196 -11.216 435 3HG2 VAL 59 3HG2 VAL 59 -6.269 -1.059 -12.021 436 H SER 60 H SER 60 -10.145 1.739 -12.088 437 HA SER 60 HA SER 60 -9.905 4.129 -13.132 438 1HB SER 60 2HB SER 60 -12.444 4.312 -13.038 439 2HB SER 60 1HB SER 60 -11.826 2.796 -13.664 440 HG SER 60 HG SER 60 -13.359 2.159 -12.198 441 H GLU 61 H GLU 61 -11.043 3.462 -9.773 442 HA GLU 61 HA GLU 61 -9.991 5.771 -8.751 443 1HB GLU 61 2HB GLU 61 -12.333 6.372 -10.199 444 2HB GLU 61 1HB GLU 61 -12.858 6.352 -8.527 445 1HG GLU 61 2HG GLU 61 -10.876 7.869 -7.973 446 2HG GLU 61 1HG GLU 61 -10.565 7.996 -9.693 447 H PHE 62 H PHE 62 -9.534 3.664 -7.526 448 HA PHE 62 HA PHE 62 -11.643 2.516 -6.025 449 1HB PHE 62 2HB PHE 62 -9.570 1.509 -4.827 450 2HB PHE 62 1HB PHE 62 -9.642 1.225 -6.555 451 HD1 PHE 62 1HD PHE 62 -7.641 1.447 -7.657 452 HD2 PHE 62 2HD PHE 62 -8.378 3.926 -4.293 453 HE1 PHE 62 1HE PHE 62 -5.370 2.481 -7.922 454 HE2 PHE 62 2HE PHE 62 -6.107 4.962 -4.558 455 HZ PHE 62 HZ PHE 62 -4.630 4.226 -6.369 456 H ASP 63 H ASP 63 -10.672 2.243 -3.435 457 HA ASP 63 HA ASP 63 -11.323 4.833 -2.428 458 1HB ASP 63 2HB ASP 63 -12.220 2.673 -1.469 459 2HB ASP 63 1HB ASP 63 -10.597 2.257 -0.955 460 H ARG 64 H ARG 64 -9.314 5.977 -3.112 461 HA ARG 64 HA ARG 64 -6.794 5.193 -2.707 462 1HB ARG 64 2HB ARG 64 -6.324 7.736 -2.334 463 2HB ARG 64 1HB ARG 64 -7.110 7.266 -3.828 464 1HG ARG 64 2HG ARG 64 -8.799 8.687 -3.314 465 2HG ARG 64 1HG ARG 64 -9.242 7.610 -2.005 466 1HD ARG 64 2HD ARG 64 -8.915 9.817 -1.045 467 2HD ARG 64 1HD ARG 64 -7.578 8.817 -0.515 468 HE ARG 64 HE ARG 64 -6.098 10.075 -1.861 469 1HH1 ARG 64 2HH2 ARG 64 -9.434 10.942 -2.571 470 2HH1 ARG 64 1HH2 ARG 64 -9.007 12.336 -3.507 471 1HH2 ARG 64 2HH1 ARG 64 -5.534 11.914 -3.095 472 2HH2 ARG 64 1HH1 ARG 64 -6.774 12.893 -3.807 473 H LYS 65 H LYS 65 -9.086 6.563 -0.301 474 HA LYS 65 HA LYS 65 -7.344 7.109 1.753 475 1HB LYS 65 2HB LYS 65 -9.464 7.868 2.160 476 2HB LYS 65 1HB LYS 65 -10.237 6.433 1.521 477 1HG LYS 65 2HG LYS 65 -10.096 5.283 3.528 478 2HG LYS 65 1HG LYS 65 -8.567 6.015 3.971 479 1HD LYS 65 2HD LYS 65 -10.659 8.052 3.863 480 2HD LYS 65 1HD LYS 65 -11.159 6.734 4.904 481 1HE LYS 65 2HE LYS 65 -8.536 7.055 5.707 482 2HE LYS 65 1HE LYS 65 -8.944 8.700 5.266 483 1HZ LYS 65 1HZ LYS 65 -11.050 7.556 6.712 484 2HZ LYS 65 2HZ LYS 65 -9.662 7.375 7.553 485 3HZ LYS 65 3HZ LYS 65 -10.146 8.863 7.086 486 H GLU 66 H GLU 66 -8.524 3.998 0.502 487 HA GLU 66 HA GLU 66 -7.589 2.577 2.781 488 1HB GLU 66 2HB GLU 66 -9.478 1.664 1.588 489 2HB GLU 66 1HB GLU 66 -8.632 1.724 0.054 490 1HG GLU 66 2HG GLU 66 -7.187 -0.085 0.631 491 2HG GLU 66 1HG GLU 66 -7.511 0.079 2.345 492 H TRP 67 H TRP 67 -6.319 3.646 -0.342 493 HA TRP 67 HA TRP 67 -3.967 1.941 0.011 494 1HB TRP 67 2HB TRP 67 -4.635 3.660 -2.373 495 2HB TRP 67 1HB TRP 67 -3.461 2.363 -2.266 496 HD1 TRP 67 HD TRP 67 -7.173 2.950 -2.888 497 HE1 TRP 67 1HE TRP 67 -8.423 0.726 -3.561 498 HE3 TRP 67 3HE TRP 67 -3.314 -0.173 -1.784 499 HZ2 TRP 67 2HZ TRP 67 -7.674 -2.029 -3.557 500 HZ3 TRP 67 3HZ TRP 67 -3.657 -2.616 -2.148 501 HH2 TRP 67 HH TRP 67 -5.745 -3.554 -3.001 502 H ASP 68 H ASP 68 -4.911 4.508 1.534 503 HA ASP 68 HA ASP 68 -2.838 6.338 0.745 504 1HB ASP 68 2HB ASP 68 -4.706 7.574 1.363 505 2HB ASP 68 1HB ASP 68 -5.243 6.382 2.530 506 H THR 69 H THR 69 -3.831 4.156 3.444 507 HA THR 69 HA THR 69 -1.238 4.665 4.743 508 HB THR 69 HB THR 69 -2.639 3.501 6.692 509 HG1 THR 69 1HG THR 69 -4.865 3.602 6.234 510 1HG2 THR 69 1HG2 THR 69 -2.508 6.288 5.743 511 2HG2 THR 69 2HG2 THR 69 -4.044 5.948 6.575 512 3HG2 THR 69 3HG2 THR 69 -2.498 5.672 7.413 513 HA PRO 70 HA PRO 70 -0.037 0.603 4.072 514 1HB PRO 70 2HB PRO 70 1.340 -0.061 6.337 515 2HB PRO 70 1HB PRO 70 2.016 0.933 5.061 516 1HG PRO 70 2HG PRO 70 1.023 1.755 7.721 517 2HG PRO 70 1HG PRO 70 2.072 2.629 6.622 518 1HD PRO 70 2HD PRO 70 -0.719 3.110 7.081 519 2HD PRO 70 1HD PRO 70 0.301 3.906 5.899 520 H ASN 71 H ASN 71 -1.501 0.976 7.244 521 HA ASN 71 HA ASN 71 -2.060 -1.686 7.613 522 1HB ASN 71 2HB ASN 71 -2.791 0.864 8.807 523 2HB ASN 71 1HB ASN 71 -4.232 -0.125 8.692 524 1HD2 ASN 71 1HD2 ASN 71 -2.173 0.758 10.838 525 2HD2 ASN 71 2HD2 ASN 71 -1.876 -0.677 11.760 526 H LYS 72 H LYS 72 -4.185 1.010 6.370 527 HA LYS 72 HA LYS 72 -6.419 -0.435 5.788 528 1HB LYS 72 2HB LYS 72 -5.221 2.108 4.897 529 2HB LYS 72 1HB LYS 72 -6.349 1.408 3.755 530 1HG LYS 72 2HG LYS 72 -8.165 1.586 5.210 531 2HG LYS 72 1HG LYS 72 -7.176 1.412 6.645 532 1HD LYS 72 2HD LYS 72 -6.803 3.666 6.816 533 2HD LYS 72 1HD LYS 72 -6.525 3.849 5.094 534 1HE LYS 72 2HE LYS 72 -8.579 5.067 5.903 535 2HE LYS 72 1HE LYS 72 -8.921 3.911 4.632 536 1HZ LYS 72 1HZ LYS 72 -9.848 3.934 7.286 537 2HZ LYS 72 2HZ LYS 72 -10.360 3.029 6.026 538 3HZ LYS 72 3HZ LYS 72 -9.125 2.506 6.958 539 H ILE 73 H ILE 73 -3.315 -0.291 4.039 540 HA ILE 73 HA ILE 73 -4.373 -1.702 1.775 541 HB ILE 73 HB ILE 73 -1.688 -0.677 2.620 542 1HG1 ILE 73 2HG1 ILE 73 -3.611 -0.124 0.356 543 2HG1 ILE 73 1HG1 ILE 73 -3.081 0.966 1.622 544 1HG2 ILE 73 1HG2 ILE 73 -2.192 -2.485 0.240 545 2HG2 ILE 73 2HG2 ILE 73 -0.678 -1.626 0.610 546 3HG2 ILE 73 3HG2 ILE 73 -1.264 -2.906 1.699 547 1HD1 ILE 73 1HD1 ILE 73 -0.664 0.525 0.654 548 2HD1 ILE 73 2HD1 ILE 73 -1.547 -0.020 -0.793 549 3HD1 ILE 73 3HD1 ILE 73 -1.756 1.645 -0.197 550 H ILE 74 H ILE 74 -2.139 -2.439 4.536 551 HA ILE 74 HA ILE 74 -1.599 -5.042 3.930 552 HB ILE 74 HB ILE 74 -1.687 -3.386 6.370 553 1HG1 ILE 74 2HG1 ILE 74 0.399 -5.344 5.378 554 2HG1 ILE 74 1HG1 ILE 74 0.274 -3.697 4.791 555 1HG2 ILE 74 1HG2 ILE 74 -1.855 -6.397 6.465 556 2HG2 ILE 74 2HG2 ILE 74 -1.070 -5.449 7.751 557 3HG2 ILE 74 3HG2 ILE 74 -2.792 -5.192 7.379 558 1HD1 ILE 74 1HD1 ILE 74 1.362 -2.915 6.615 559 2HD1 ILE 74 2HD1 ILE 74 0.169 -3.677 7.694 560 3HD1 ILE 74 3HD1 ILE 74 1.591 -4.598 7.148 561 H ALA 75 H ALA 75 -4.643 -3.589 4.906 562 HA ALA 75 HA ALA 75 -5.781 -6.131 5.678 563 1HB ALA 75 1HB ALA 75 -6.806 -3.282 5.460 564 2HB ALA 75 2HB ALA 75 -7.869 -4.654 5.851 565 3HB ALA 75 3HB ALA 75 -6.517 -4.240 6.931 566 H LYS 76 H LYS 76 -5.687 -3.881 2.896 567 HA LYS 76 HA LYS 76 -7.769 -5.167 1.476 568 1HB LYS 76 2HB LYS 76 -6.847 -2.782 1.211 569 2HB LYS 76 1HB LYS 76 -5.553 -3.503 0.274 570 1HG LYS 76 2HG LYS 76 -7.375 -2.772 -1.221 571 2HG LYS 76 1HG LYS 76 -7.213 -4.517 -1.278 572 1HD LYS 76 2HD LYS 76 -9.163 -4.868 0.062 573 2HD LYS 76 1HD LYS 76 -9.166 -3.218 0.653 574 1HE LYS 76 2HE LYS 76 -10.775 -2.915 -0.961 575 2HE LYS 76 1HE LYS 76 -9.395 -2.723 -2.024 576 1HZ LYS 76 1HZ LYS 76 -11.327 -4.671 -2.136 577 2HZ LYS 76 2HZ LYS 76 -9.996 -4.544 -3.074 578 3HZ LYS 76 3HZ LYS 76 -9.951 -5.441 -1.711 579 H VAL 77 H VAL 77 -4.428 -5.917 2.137 580 HA VAL 77 HA VAL 77 -4.171 -7.609 -0.191 581 HB VAL 77 HB VAL 77 -2.344 -7.300 2.195 582 1HG1 VAL 77 1HG1 VAL 77 -2.211 -9.215 0.322 583 2HG1 VAL 77 2HG1 VAL 77 -1.349 -7.923 -0.546 584 3HG1 VAL 77 3HG1 VAL 77 -0.763 -8.472 1.042 585 1HG2 VAL 77 1HG2 VAL 77 -1.639 -5.307 1.461 586 2HG2 VAL 77 2HG2 VAL 77 -1.516 -5.890 -0.216 587 3HG2 VAL 77 3HG2 VAL 77 -3.071 -5.283 0.403 588 H GLU 78 H GLU 78 -5.030 -7.798 3.252 589 HA GLU 78 HA GLU 78 -4.792 -10.643 3.263 590 1HB GLU 78 2HB GLU 78 -5.738 -8.569 5.264 591 2HB GLU 78 1HB GLU 78 -5.985 -10.277 5.569 592 1HG GLU 78 2HG GLU 78 -3.237 -9.261 4.776 593 2HG GLU 78 1HG GLU 78 -3.781 -9.109 6.436 594 H GLN 79 H GLN 79 -7.226 -8.205 2.543 595 HA GLN 79 HA GLN 79 -9.347 -10.143 2.795 596 1HB GLN 79 2HB GLN 79 -9.181 -7.332 3.060 597 2HB GLN 79 1HB GLN 79 -10.112 -7.584 1.597 598 1HG GLN 79 2HG GLN 79 -11.458 -9.344 3.007 599 2HG GLN 79 1HG GLN 79 -10.721 -8.583 4.402 600 1HE2 GLN 79 1HE2 GLN 79 -11.622 -6.847 5.235 601 2HE2 GLN 79 2HE2 GLN 79 -12.848 -5.862 4.507 602 H ALA 80 H ALA 80 -7.070 -10.298 0.751 603 HA ALA 80 HA ALA 80 -8.792 -10.355 -1.632 604 1HB ALA 80 1HB ALA 80 -7.329 -8.947 -2.593 605 2HB ALA 80 2HB ALA 80 -6.296 -8.972 -1.144 606 3HB ALA 80 3HB ALA 80 -6.070 -10.193 -2.418 607 H GLN 81 H GLN 81 -5.993 -11.774 0.159 608 HA GLN 81 HA GLN 81 -5.402 -13.859 -1.399 609 1HB GLN 81 2HB GLN 81 -5.639 -13.772 1.638 610 2HB GLN 81 1HB GLN 81 -4.884 -15.098 0.778 611 1HG GLN 81 2HG GLN 81 -4.005 -12.180 0.810 612 2HG GLN 81 1HG GLN 81 -3.124 -13.563 1.432 613 1HE2 GLN 81 1HE2 GLN 81 -4.135 -11.796 -1.384 614 2HE2 GLN 81 2HE2 GLN 81 -3.099 -12.553 -2.548 Start of MODEL 5 1 H ALA 2 H ALA 2 -3.034 -16.359 7.205 2 HA ALA 2 HA ALA 2 -2.399 -16.705 4.986 3 1HB ALA 2 1HB ALA 2 -2.249 -13.685 5.018 4 2HB ALA 2 2HB ALA 2 -1.411 -14.626 3.761 5 3HB ALA 2 3HB ALA 2 -3.177 -14.752 3.936 6 H ASP 3 H ASP 3 0.035 -15.924 3.933 7 HA ASP 3 HA ASP 3 1.760 -16.896 5.966 8 1HB ASP 3 2HB ASP 3 1.975 -16.211 3.038 9 2HB ASP 3 1HB ASP 3 3.466 -16.298 3.956 10 H GLU 4 H GLU 4 4.110 -15.688 5.988 11 HA GLU 4 HA GLU 4 3.492 -12.987 6.762 12 1HB GLU 4 2HB GLU 4 5.225 -14.991 7.733 13 2HB GLU 4 1HB GLU 4 6.298 -13.789 7.045 14 1HG GLU 4 2HG GLU 4 6.033 -12.631 8.984 15 2HG GLU 4 1HG GLU 4 4.435 -12.213 8.398 16 H ALA 5 H ALA 5 4.394 -14.558 3.932 17 HA ALA 5 HA ALA 5 6.399 -12.739 3.025 18 1HB ALA 5 1HB ALA 5 6.661 -14.594 1.763 19 2HB ALA 5 2HB ALA 5 5.009 -15.160 2.107 20 3HB ALA 5 3HB ALA 5 5.294 -13.987 0.800 21 H ILE 6 H ILE 6 3.006 -12.565 3.509 22 HA ILE 6 HA ILE 6 2.603 -10.710 1.311 23 HB ILE 6 HB ILE 6 0.902 -12.280 3.154 24 1HG1 ILE 6 2HG1 ILE 6 0.679 -11.472 0.238 25 2HG1 ILE 6 1HG1 ILE 6 1.323 -12.986 0.843 26 1HG2 ILE 6 1HG2 ILE 6 0.312 -9.459 2.418 27 2HG2 ILE 6 2HG2 ILE 6 -1.012 -10.638 2.263 28 3HG2 ILE 6 3HG2 ILE 6 -0.198 -10.416 3.830 29 1HD1 ILE 6 1HD1 ILE 6 -1.473 -12.170 0.477 30 2HD1 ILE 6 2HD1 ILE 6 -0.793 -13.798 0.703 31 3HD1 ILE 6 3HD1 ILE 6 -1.172 -12.788 2.119 32 H LYS 7 H LYS 7 2.522 -10.797 4.931 33 HA LYS 7 HA LYS 7 2.001 -8.050 5.195 34 1HB LYS 7 2HB LYS 7 1.975 -10.193 6.863 35 2HB LYS 7 1HB LYS 7 3.482 -9.445 7.356 36 1HG LYS 7 2HG LYS 7 1.352 -7.445 6.977 37 2HG LYS 7 1HG LYS 7 0.890 -8.668 8.146 38 1HD LYS 7 2HD LYS 7 3.274 -8.280 9.179 39 2HD LYS 7 1HD LYS 7 3.295 -6.810 8.226 40 1HE LYS 7 2HE LYS 7 2.378 -6.037 10.244 41 2HE LYS 7 1HE LYS 7 0.930 -6.355 9.309 42 1HZ LYS 7 1HZ LYS 7 2.135 -8.131 11.313 43 2HZ LYS 7 2HZ LYS 7 0.706 -7.347 11.426 44 3HZ LYS 7 3HZ LYS 7 0.887 -8.567 10.354 45 H ASN 8 H ASN 8 4.984 -9.989 4.826 46 HA ASN 8 HA ASN 8 6.672 -7.832 5.483 47 1HB ASN 8 2HB ASN 8 7.121 -10.456 5.404 48 2HB ASN 8 1HB ASN 8 7.501 -10.166 3.717 49 1HD2 ASN 8 1HD2 ASN 8 9.476 -11.142 5.084 50 2HD2 ASN 8 2HD2 ASN 8 10.690 -9.978 5.496 51 H GLY 9 H GLY 9 5.762 -9.556 2.400 52 1HA GLY 9 2HA GLY 9 7.158 -7.990 0.598 53 2HA GLY 9 1HA GLY 9 5.680 -8.870 0.262 54 H VAL 10 H VAL 10 3.816 -7.555 1.944 55 HA VAL 10 HA VAL 10 3.135 -5.369 0.371 56 HB VAL 10 HB VAL 10 2.278 -6.379 3.072 57 1HG1 VAL 10 1HG1 VAL 10 1.513 -3.819 1.709 58 2HG1 VAL 10 2HG1 VAL 10 0.268 -4.732 2.596 59 3HG1 VAL 10 3HG1 VAL 10 1.732 -4.171 3.440 60 1HG2 VAL 10 1HG2 VAL 10 1.745 -7.391 0.656 61 2HG2 VAL 10 2HG2 VAL 10 0.551 -7.403 1.977 62 3HG2 VAL 10 3HG2 VAL 10 0.465 -6.156 0.709 63 H LEU 11 H LEU 11 4.785 -5.580 3.580 64 HA LEU 11 HA LEU 11 4.950 -2.778 3.894 65 1HB LEU 11 2HB LEU 11 5.407 -5.048 5.432 66 2HB LEU 11 1HB LEU 11 6.995 -4.327 5.265 67 HG LEU 11 HG LEU 11 4.551 -3.266 6.628 68 1HD1 LEU 11 1HD1 LEU 11 5.981 -2.914 8.453 69 2HD1 LEU 11 2HD1 LEU 11 6.508 -4.465 7.757 70 3HD1 LEU 11 3HD1 LEU 11 7.442 -2.984 7.440 71 1HD2 LEU 11 1HD2 LEU 11 6.590 -1.602 5.187 72 2HD2 LEU 11 2HD2 LEU 11 4.828 -1.387 5.321 73 3HD2 LEU 11 3HD2 LEU 11 5.878 -1.018 6.711 74 H ASP 12 H ASP 12 7.067 -5.297 2.452 75 HA ASP 12 HA ASP 12 9.277 -3.655 2.148 76 1HB ASP 12 2HB ASP 12 8.788 -6.287 1.746 77 2HB ASP 12 1HB ASP 12 8.646 -5.757 0.083 78 H ILE 13 H ILE 13 6.448 -4.466 0.033 79 HA ILE 13 HA ILE 13 7.363 -2.959 -2.179 80 HB ILE 13 HB ILE 13 4.922 -4.432 -1.386 81 1HG1 ILE 13 2HG1 ILE 13 5.825 -4.508 -4.169 82 2HG1 ILE 13 1HG1 ILE 13 7.112 -4.877 -3.039 83 1HG2 ILE 13 1HG2 ILE 13 3.838 -2.410 -2.024 84 2HG2 ILE 13 2HG2 ILE 13 4.892 -2.216 -3.445 85 3HG2 ILE 13 3HG2 ILE 13 3.702 -3.539 -3.394 86 1HD1 ILE 13 1HD1 ILE 13 5.448 -6.485 -1.882 87 2HD1 ILE 13 2HD1 ILE 13 4.424 -6.271 -3.323 88 3HD1 ILE 13 3HD1 ILE 13 6.051 -6.972 -3.485 89 H LEU 14 H LEU 14 6.118 -2.100 0.908 90 HA LEU 14 HA LEU 14 4.861 0.327 -0.010 91 1HB LEU 14 2HB LEU 14 4.884 -1.294 2.368 92 2HB LEU 14 1HB LEU 14 5.258 0.367 2.783 93 HG LEU 14 HG LEU 14 2.812 -0.354 2.857 94 1HD1 LEU 14 1HD1 LEU 14 3.657 2.088 1.278 95 2HD1 LEU 14 2HD1 LEU 14 2.022 1.824 1.930 96 3HD1 LEU 14 3HD1 LEU 14 3.408 1.961 3.036 97 1HD2 LEU 14 1HD2 LEU 14 2.721 0.166 -0.092 98 2HD2 LEU 14 2HD2 LEU 14 3.115 -1.466 0.499 99 3HD2 LEU 14 3HD2 LEU 14 1.573 -0.703 0.953 100 H ALA 15 H ALA 15 7.625 -0.433 2.233 101 HA ALA 15 HA ALA 15 8.630 2.150 2.259 102 1HB ALA 15 1HB ALA 15 9.176 -0.242 3.500 103 2HB ALA 15 2HB ALA 15 10.605 -0.047 2.456 104 3HB ALA 15 3HB ALA 15 10.181 1.221 3.633 105 H ASP 16 H ASP 16 8.683 -0.321 -0.220 106 HA ASP 16 HA ASP 16 11.007 0.661 -1.499 107 1HB ASP 16 2HB ASP 16 10.200 -1.676 -1.769 108 2HB ASP 16 1HB ASP 16 8.718 -1.096 -2.503 109 H LEU 17 H LEU 17 7.423 1.001 -1.810 110 HA LEU 17 HA LEU 17 7.404 2.426 -4.210 111 1HB LEU 17 2HB LEU 17 5.540 1.287 -2.702 112 2HB LEU 17 1HB LEU 17 5.353 2.924 -2.105 113 HG LEU 17 HG LEU 17 5.398 2.601 -5.062 114 1HD1 LEU 17 1HD1 LEU 17 3.163 1.794 -5.253 115 2HD1 LEU 17 2HD1 LEU 17 4.061 0.647 -4.230 116 3HD1 LEU 17 3HD1 LEU 17 2.938 1.811 -3.488 117 1HD2 LEU 17 1HD2 LEU 17 4.203 4.403 -3.022 118 2HD2 LEU 17 2HD2 LEU 17 4.968 4.775 -4.586 119 3HD2 LEU 17 3HD2 LEU 17 3.295 4.168 -4.534 120 H THR 18 H THR 18 7.333 3.576 -0.765 121 HA THR 18 HA THR 18 7.657 6.303 -1.624 122 HB THR 18 HB THR 18 7.407 6.762 0.740 123 HG1 THR 18 1HG THR 18 7.872 3.889 1.073 124 1HG2 THR 18 1HG2 THR 18 5.440 5.561 1.369 125 2HG2 THR 18 2HG2 THR 18 5.403 5.499 -0.410 126 3HG2 THR 18 3HG2 THR 18 5.966 4.089 0.518 127 H GLY 19 H GLY 19 9.713 3.789 -0.041 128 1HA GLY 19 2HA GLY 19 11.984 3.558 -0.496 129 2HA GLY 19 1HA GLY 19 12.056 5.211 -1.073 130 H SER 20 H SER 20 10.198 4.835 1.842 131 HA SER 20 HA SER 20 12.527 5.724 3.361 132 1HB SER 20 2HB SER 20 9.975 6.998 2.940 133 2HB SER 20 1HB SER 20 10.079 6.554 4.632 134 HG SER 20 HG SER 20 11.500 8.119 4.946 135 H ASP 21 H ASP 21 12.073 5.381 5.877 136 HA ASP 21 HA ASP 21 11.109 2.651 6.086 137 1HB ASP 21 2HB ASP 21 13.299 2.708 6.937 138 2HB ASP 21 1HB ASP 21 13.122 4.332 7.570 139 H ASP 22 H ASP 22 10.697 6.012 7.165 140 HA ASP 22 HA ASP 22 9.465 5.868 9.500 141 1HB ASP 22 2HB ASP 22 7.876 7.483 7.601 142 2HB ASP 22 1HB ASP 22 8.764 7.997 9.022 143 H VAL 23 H VAL 23 8.037 5.153 6.249 144 HA VAL 23 HA VAL 23 5.457 4.565 7.335 145 HB VAL 23 HB VAL 23 5.708 5.517 5.129 146 1HG1 VAL 23 1HG1 VAL 23 7.505 3.159 4.692 147 2HG1 VAL 23 2HG1 VAL 23 6.577 3.796 3.314 148 3HG1 VAL 23 3HG1 VAL 23 7.704 4.856 4.194 149 1HG2 VAL 23 1HG2 VAL 23 4.625 2.686 5.171 150 2HG2 VAL 23 2HG2 VAL 23 3.733 4.208 5.410 151 3HG2 VAL 23 3HG2 VAL 23 4.393 3.806 3.807 152 H LYS 24 H LYS 24 8.428 2.792 6.449 153 HA LYS 24 HA LYS 24 7.392 0.234 6.357 154 1HB LYS 24 2HB LYS 24 9.614 0.668 5.607 155 2HB LYS 24 1HB LYS 24 10.102 1.306 7.164 156 1HG LYS 24 2HG LYS 24 9.020 -1.505 7.095 157 2HG LYS 24 1HG LYS 24 10.620 -1.241 6.431 158 1HD LYS 24 2HD LYS 24 11.554 -0.869 8.490 159 2HD LYS 24 1HD LYS 24 10.215 0.128 9.026 160 1HE LYS 24 2HE LYS 24 9.174 -1.622 10.071 161 2HE LYS 24 1HE LYS 24 9.445 -2.709 8.723 162 1HZ LYS 24 1HZ LYS 24 10.654 -3.132 10.902 163 2HZ LYS 24 2HZ LYS 24 11.510 -3.271 9.518 164 3HZ LYS 24 3HZ LYS 24 11.670 -1.937 10.446 165 H LYS 25 H LYS 25 7.852 2.436 9.065 166 HA LYS 25 HA LYS 25 7.400 0.234 10.935 167 1HB LYS 25 2HB LYS 25 9.322 1.796 11.298 168 2HB LYS 25 1HB LYS 25 8.179 3.108 11.503 169 1HG LYS 25 2HG LYS 25 7.810 0.598 13.148 170 2HG LYS 25 1HG LYS 25 9.072 1.723 13.607 171 1HD LYS 25 2HD LYS 25 6.903 3.419 13.153 172 2HD LYS 25 1HD LYS 25 6.130 2.000 13.830 173 1HE LYS 25 2HE LYS 25 8.208 2.192 15.568 174 2HE LYS 25 1HE LYS 25 8.109 3.877 15.099 175 1HZ LYS 25 1HZ LYS 25 6.682 3.097 17.008 176 2HZ LYS 25 2HZ LYS 25 5.949 4.014 15.873 177 3HZ LYS 25 3HZ LYS 25 5.715 2.398 15.894 178 H ASN 26 H ASN 26 6.298 3.682 10.577 179 HA ASN 26 HA ASN 26 4.046 3.374 12.072 180 1HB ASN 26 2HB ASN 26 5.129 5.323 10.165 181 2HB ASN 26 1HB ASN 26 3.387 5.225 10.000 182 1HD2 ASN 26 1HD2 ASN 26 6.064 6.019 12.061 183 2HD2 ASN 26 2HD2 ASN 26 5.192 6.830 13.318 184 H LEU 27 H LEU 27 1.967 2.522 11.643 185 HA LEU 27 HA LEU 27 1.586 1.440 8.943 186 1HB LEU 27 2HB LEU 27 0.307 0.579 11.541 187 2HB LEU 27 1HB LEU 27 0.087 -0.170 9.973 188 HG LEU 27 HG LEU 27 2.820 0.016 11.232 189 1HD1 LEU 27 1HD1 LEU 27 1.723 -1.075 12.963 190 2HD1 LEU 27 2HD1 LEU 27 0.609 -1.923 11.865 191 3HD1 LEU 27 3HD1 LEU 27 2.316 -2.418 11.958 192 1HD2 LEU 27 1HD2 LEU 27 2.190 -0.679 8.740 193 2HD2 LEU 27 2HD2 LEU 27 3.509 -1.461 9.644 194 3HD2 LEU 27 3HD2 LEU 27 1.920 -2.254 9.524 195 H ASP 28 H ASP 28 1.190 4.235 9.475 196 HA ASP 28 HA ASP 28 -1.465 4.412 8.556 197 1HB ASP 28 2HB ASP 28 -1.097 4.578 11.380 198 2HB ASP 28 1HB ASP 28 -1.328 6.229 10.842 199 H LEU 29 H LEU 29 1.335 5.104 7.809 200 HA LEU 29 HA LEU 29 1.466 7.982 8.125 201 1HB LEU 29 2HB LEU 29 3.421 6.370 8.366 202 2HB LEU 29 1HB LEU 29 3.364 6.188 6.623 203 HG LEU 29 HG LEU 29 3.823 8.563 6.313 204 1HD1 LEU 29 1HD1 LEU 29 3.066 8.718 9.108 205 2HD1 LEU 29 2HD1 LEU 29 4.640 9.498 8.815 206 3HD1 LEU 29 3HD1 LEU 29 3.208 10.006 7.886 207 1HD2 LEU 29 1HD2 LEU 29 5.676 6.894 6.597 208 2HD2 LEU 29 2HD2 LEU 29 6.115 8.578 6.971 209 3HD2 LEU 29 3HD2 LEU 29 5.810 7.422 8.291 210 H ASN 30 H ASN 30 -0.066 9.002 6.886 211 HA ASN 30 HA ASN 30 -1.288 8.230 4.705 212 1HB ASN 30 2HB ASN 30 -0.066 11.028 4.814 213 2HB ASN 30 1HB ASN 30 -1.610 10.569 4.124 214 1HD2 ASN 30 1HD2 ASN 30 -2.790 9.024 5.938 215 2HD2 ASN 30 2HD2 ASN 30 -3.072 9.853 7.432 216 H LEU 31 H LEU 31 -0.689 7.577 2.627 217 HA LEU 31 HA LEU 31 2.077 7.907 1.863 218 1HB LEU 31 2HB LEU 31 -0.241 6.410 0.638 219 2HB LEU 31 1HB LEU 31 1.368 6.460 -0.055 220 HG LEU 31 HG LEU 31 1.073 5.560 2.787 221 1HD1 LEU 31 1HD1 LEU 31 0.717 3.565 0.567 222 2HD1 LEU 31 2HD1 LEU 31 0.332 3.422 2.299 223 3HD1 LEU 31 3HD1 LEU 31 -0.685 4.430 1.243 224 1HD2 LEU 31 1HD2 LEU 31 3.090 5.497 0.683 225 2HD2 LEU 31 2HD2 LEU 31 3.258 5.301 2.444 226 3HD2 LEU 31 3HD2 LEU 31 2.831 3.902 1.429 227 H PHE 32 H PHE 32 -0.607 9.860 1.765 228 HA PHE 32 HA PHE 32 0.299 11.068 -0.753 229 1HB PHE 32 2HB PHE 32 -2.454 10.717 0.555 230 2HB PHE 32 1HB PHE 32 -2.204 11.924 -0.690 231 HD1 PHE 32 1HD PHE 32 -2.795 11.321 -2.826 232 HD2 PHE 32 2HD PHE 32 -1.470 8.292 -0.164 233 HE1 PHE 32 1HE PHE 32 -3.213 9.585 -4.591 234 HE2 PHE 32 2HE PHE 32 -1.888 6.558 -1.930 235 HZ PHE 32 HZ PHE 32 -2.754 7.225 -4.123 236 H GLU 33 H GLU 33 -1.111 11.563 2.533 237 HA GLU 33 HA GLU 33 -0.917 14.359 2.383 238 1HB GLU 33 2HB GLU 33 -2.227 12.635 4.023 239 2HB GLU 33 1HB GLU 33 -0.856 12.998 5.052 240 1HG GLU 33 2HG GLU 33 -1.365 15.322 5.137 241 2HG GLU 33 1HG GLU 33 -2.358 15.258 3.694 242 H THR 34 H THR 34 1.410 11.848 2.789 243 HA THR 34 HA THR 34 3.262 13.622 4.206 244 HB THR 34 HB THR 34 3.388 10.644 3.491 245 HG1 THR 34 1HG THR 34 2.954 12.142 5.977 246 1HG2 THR 34 1HG2 THR 34 5.639 11.787 3.931 247 2HG2 THR 34 2HG2 THR 34 5.007 12.257 5.527 248 3HG2 THR 34 3HG2 THR 34 5.208 10.535 5.120 249 H GLY 35 H GLY 35 2.324 12.762 1.040 250 1HA GLY 35 2HA GLY 35 3.193 13.466 -0.929 251 2HA GLY 35 1HA GLY 35 4.521 14.223 -0.074 252 H LEU 36 H LEU 36 3.950 10.889 0.789 253 HA LEU 36 HA LEU 36 6.486 10.155 -0.302 254 1HB LEU 36 2HB LEU 36 4.376 8.826 1.357 255 2HB LEU 36 1HB LEU 36 5.629 7.856 0.608 256 HG LEU 36 HG LEU 36 6.019 10.102 2.603 257 1HD1 LEU 36 1HD1 LEU 36 6.237 8.554 4.212 258 2HD1 LEU 36 2HD1 LEU 36 5.317 7.517 3.094 259 3HD1 LEU 36 3HD1 LEU 36 7.094 7.411 3.148 260 1HD2 LEU 36 1HD2 LEU 36 8.455 8.814 2.314 261 2HD2 LEU 36 2HD2 LEU 36 7.866 8.984 0.642 262 3HD2 LEU 36 3HD2 LEU 36 8.021 10.421 1.683 263 H LEU 37 H LEU 37 3.042 9.746 -1.151 264 HA LEU 37 HA LEU 37 3.922 8.252 -3.522 265 1HB LEU 37 2HB LEU 37 2.231 7.350 -1.670 266 2HB LEU 37 1HB LEU 37 1.081 8.256 -2.633 267 HG LEU 37 HG LEU 37 2.892 6.434 -4.131 268 1HD1 LEU 37 1HD1 LEU 37 1.548 4.446 -3.602 269 2HD1 LEU 37 2HD1 LEU 37 2.421 5.061 -2.179 270 3HD1 LEU 37 3HD1 LEU 37 0.678 5.370 -2.355 271 1HD2 LEU 37 1HD2 LEU 37 0.358 7.770 -4.490 272 2HD2 LEU 37 2HD2 LEU 37 1.407 6.973 -5.688 273 3HD2 LEU 37 3HD2 LEU 37 0.194 6.024 -4.796 274 H ASP 38 H ASP 38 2.517 8.689 -5.509 275 HA ASP 38 HA ASP 38 1.827 11.522 -5.507 276 1HB ASP 38 2HB ASP 38 2.394 11.216 -8.081 277 2HB ASP 38 1HB ASP 38 3.677 11.504 -6.922 278 H SER 39 H SER 39 1.484 8.472 -7.491 279 HA SER 39 HA SER 39 -1.187 8.154 -7.157 280 1HB SER 39 2HB SER 39 -2.034 9.009 -9.429 281 2HB SER 39 1HB SER 39 -1.746 10.219 -8.195 282 HG SER 39 HG SER 39 -0.079 9.561 -10.461 283 H MET 40 H MET 40 1.536 8.172 -9.509 284 HA MET 40 HA MET 40 0.560 5.909 -10.901 285 1HB MET 40 2HB MET 40 2.817 7.806 -11.014 286 2HB MET 40 1HB MET 40 3.364 6.173 -11.337 287 1HG MET 40 2HG MET 40 2.740 6.925 -13.486 288 2HG MET 40 1HG MET 40 1.319 6.033 -12.981 289 1HE MET 40 1HE MET 40 -0.744 6.875 -13.673 290 2HE MET 40 2HE MET 40 -1.097 8.550 -14.161 291 3HE MET 40 3HE MET 40 0.136 7.609 -15.035 292 H GLY 41 H GLY 41 2.515 6.467 -8.022 293 1HA GLY 41 2HA GLY 41 4.064 4.178 -7.905 294 2HA GLY 41 1HA GLY 41 3.423 5.056 -6.529 295 H THR 42 H THR 42 0.741 4.709 -6.507 296 HA THR 42 HA THR 42 0.326 2.231 -5.460 297 HB THR 42 HB THR 42 -1.132 4.564 -5.907 298 HG1 THR 42 1HG THR 42 -1.801 3.427 -4.125 299 1HG2 THR 42 1HG2 THR 42 -2.585 2.207 -7.222 300 2HG2 THR 42 2HG2 THR 42 -3.267 3.819 -6.901 301 3HG2 THR 42 3HG2 THR 42 -1.974 3.625 -8.108 302 H VAL 43 H VAL 43 -0.167 3.226 -8.898 303 HA VAL 43 HA VAL 43 -1.294 0.945 -9.852 304 HB VAL 43 HB VAL 43 0.846 2.629 -11.168 305 1HG1 VAL 43 1HG1 VAL 43 0.439 0.581 -12.411 306 2HG1 VAL 43 2HG1 VAL 43 -1.318 0.856 -12.350 307 3HG1 VAL 43 3HG1 VAL 43 -0.275 1.960 -13.279 308 1HG2 VAL 43 1HG2 VAL 43 -1.974 3.163 -10.465 309 2HG2 VAL 43 2HG2 VAL 43 -0.642 4.290 -10.822 310 3HG2 VAL 43 3HG2 VAL 43 -1.542 3.524 -12.154 311 H GLN 44 H GLN 44 2.261 1.629 -9.528 312 HA GLN 44 HA GLN 44 3.104 -0.806 -10.442 313 1HB GLN 44 2HB GLN 44 4.521 1.235 -9.985 314 2HB GLN 44 1HB GLN 44 4.426 0.880 -8.271 315 1HG GLN 44 2HG GLN 44 5.830 -0.966 -8.422 316 2HG GLN 44 1HG GLN 44 5.295 -1.383 -10.037 317 1HE2 GLN 44 1HE2 GLN 44 7.896 -1.508 -9.563 318 2HE2 GLN 44 2HE2 GLN 44 8.776 -0.217 -10.312 319 H LEU 45 H LEU 45 2.523 0.243 -7.008 320 HA LEU 45 HA LEU 45 3.184 -2.053 -5.724 321 1HB LEU 45 2HB LEU 45 2.536 -0.796 -4.044 322 2HB LEU 45 1HB LEU 45 1.798 0.336 -5.161 323 HG LEU 45 HG LEU 45 -0.313 -0.962 -5.066 324 1HD1 LEU 45 1HD1 LEU 45 1.336 -2.949 -3.906 325 2HD1 LEU 45 2HD1 LEU 45 0.161 -2.453 -2.664 326 3HD1 LEU 45 3HD1 LEU 45 -0.409 -3.021 -4.252 327 1HD2 LEU 45 1HD2 LEU 45 -0.301 -0.538 -2.294 328 2HD2 LEU 45 2HD2 LEU 45 0.874 0.622 -2.959 329 3HD2 LEU 45 3HD2 LEU 45 -0.799 0.602 -3.567 330 H LEU 46 H LEU 46 0.192 -1.325 -7.573 331 HA LEU 46 HA LEU 46 -1.196 -3.630 -6.792 332 1HB LEU 46 2HB LEU 46 -1.493 -1.430 -8.651 333 2HB LEU 46 1HB LEU 46 -2.030 -2.934 -9.370 334 HG LEU 46 HG LEU 46 -2.992 -1.906 -6.688 335 1HD1 LEU 46 1HD1 LEU 46 -3.656 -0.334 -8.408 336 2HD1 LEU 46 2HD1 LEU 46 -4.288 -1.658 -9.417 337 3HD1 LEU 46 3HD1 LEU 46 -5.068 -1.272 -7.864 338 1HD2 LEU 46 1HD2 LEU 46 -4.736 -3.742 -8.113 339 2HD2 LEU 46 2HD2 LEU 46 -3.138 -4.459 -7.791 340 3HD2 LEU 46 3HD2 LEU 46 -4.112 -3.812 -6.448 341 H LEU 47 H LEU 47 1.194 -2.948 -9.382 342 HA LEU 47 HA LEU 47 0.869 -5.259 -10.852 343 1HB LEU 47 2HB LEU 47 2.455 -3.058 -10.957 344 2HB LEU 47 1HB LEU 47 3.627 -4.273 -10.485 345 HG LEU 47 HG LEU 47 3.536 -3.937 -12.918 346 1HD1 LEU 47 1HD1 LEU 47 3.102 -6.528 -11.587 347 2HD1 LEU 47 2HD1 LEU 47 2.783 -6.526 -13.338 348 3HD1 LEU 47 3HD1 LEU 47 4.371 -6.009 -12.722 349 1HD2 LEU 47 1HD2 LEU 47 0.759 -5.132 -12.863 350 2HD2 LEU 47 2HD2 LEU 47 1.077 -3.385 -12.969 351 3HD2 LEU 47 3HD2 LEU 47 1.649 -4.474 -14.257 352 H GLU 48 H GLU 48 2.754 -4.649 -7.842 353 HA GLU 48 HA GLU 48 3.710 -7.336 -7.848 354 1HB GLU 48 2HB GLU 48 4.329 -4.859 -6.486 355 2HB GLU 48 1HB GLU 48 4.080 -6.111 -5.285 356 1HG GLU 48 2HG GLU 48 6.459 -5.993 -6.060 357 2HG GLU 48 1HG GLU 48 5.740 -7.562 -6.355 358 H LEU 49 H LEU 49 0.914 -5.579 -6.690 359 HA LEU 49 HA LEU 49 0.296 -7.535 -4.658 360 1HB LEU 49 2HB LEU 49 -0.217 -4.889 -4.913 361 2HB LEU 49 1HB LEU 49 -1.721 -5.553 -5.520 362 HG LEU 49 HG LEU 49 -1.965 -6.858 -3.412 363 1HD1 LEU 49 1HD1 LEU 49 -0.221 -7.168 -2.079 364 2HD1 LEU 49 2HD1 LEU 49 0.753 -6.014 -3.021 365 3HD1 LEU 49 3HD1 LEU 49 -0.255 -5.435 -1.673 366 1HD2 LEU 49 1HD2 LEU 49 -2.442 -4.144 -3.881 367 2HD2 LEU 49 2HD2 LEU 49 -3.199 -5.178 -2.645 368 3HD2 LEU 49 3HD2 LEU 49 -1.757 -4.216 -2.239 369 H GLN 50 H GLN 50 0.149 -7.387 -8.030 370 HA GLN 50 HA GLN 50 -2.209 -9.104 -8.035 371 1HB GLN 50 2HB GLN 50 -2.258 -6.951 -9.411 372 2HB GLN 50 1HB GLN 50 -1.000 -7.640 -10.419 373 1HG GLN 50 2HG GLN 50 -2.412 -9.306 -11.297 374 2HG GLN 50 1HG GLN 50 -3.478 -9.290 -9.906 375 1HE2 GLN 50 1HE2 GLN 50 -5.391 -8.521 -10.313 376 2HE2 GLN 50 2HE2 GLN 50 -5.807 -7.239 -11.401 377 H SER 51 H SER 51 0.859 -9.575 -7.527 378 HA SER 51 HA SER 51 1.035 -11.749 -9.462 379 1HB SER 51 2HB SER 51 2.943 -9.586 -8.897 380 2HB SER 51 1HB SER 51 3.677 -11.162 -8.681 381 HG SER 51 HG SER 51 2.098 -10.979 -10.991 382 H GLN 52 H GLN 52 2.465 -10.489 -6.353 383 HA GLN 52 HA GLN 52 2.937 -13.142 -5.460 384 1HB GLN 52 2HB GLN 52 3.166 -10.436 -4.074 385 2HB GLN 52 1HB GLN 52 3.636 -11.949 -3.324 386 1HG GLN 52 2HG GLN 52 4.756 -11.467 -6.058 387 2HG GLN 52 1HG GLN 52 5.337 -10.388 -4.806 388 1HE2 GLN 52 1HE2 GLN 52 6.909 -11.032 -3.531 389 2HE2 GLN 52 2HE2 GLN 52 7.494 -12.652 -3.338 390 H PHE 53 H PHE 53 0.296 -10.858 -5.357 391 HA PHE 53 HA PHE 53 -1.020 -12.548 -3.347 392 1HB PHE 53 2HB PHE 53 -1.652 -9.634 -4.062 393 2HB PHE 53 1HB PHE 53 -2.152 -10.497 -2.621 394 HD1 PHE 53 1HD PHE 53 -0.971 -10.171 -0.659 395 HD2 PHE 53 2HD PHE 53 0.953 -9.371 -4.355 396 HE1 PHE 53 1HE PHE 53 1.022 -9.267 0.573 397 HE2 PHE 53 2HE PHE 53 2.945 -8.468 -3.124 398 HZ PHE 53 HZ PHE 53 2.955 -8.426 -0.675 399 H GLY 54 H GLY 54 -1.243 -10.734 -6.429 400 1HA GLY 54 2HA GLY 54 -2.576 -11.096 -8.217 401 2HA GLY 54 1HA GLY 54 -3.233 -12.516 -7.428 402 H VAL 55 H VAL 55 -3.189 -9.046 -6.364 403 HA VAL 55 HA VAL 55 -5.948 -9.231 -5.632 404 HB VAL 55 HB VAL 55 -4.039 -7.947 -4.497 405 1HG1 VAL 55 1HG1 VAL 55 -3.133 -6.739 -6.365 406 2HG1 VAL 55 2HG1 VAL 55 -4.718 -6.021 -6.740 407 3HG1 VAL 55 3HG1 VAL 55 -3.860 -5.557 -5.251 408 1HG2 VAL 55 1HG2 VAL 55 -5.697 -7.049 -3.301 409 2HG2 VAL 55 2HG2 VAL 55 -6.133 -5.946 -4.629 410 3HG2 VAL 55 3HG2 VAL 55 -6.825 -7.584 -4.569 411 H ASP 56 H ASP 56 -7.542 -7.496 -6.398 412 HA ASP 56 HA ASP 56 -7.067 -6.972 -9.224 413 1HB ASP 56 2HB ASP 56 -9.033 -8.692 -8.080 414 2HB ASP 56 1HB ASP 56 -9.902 -7.253 -8.573 415 H ALA 57 H ALA 57 -6.639 -5.260 -6.837 416 HA ALA 57 HA ALA 57 -8.794 -3.616 -6.257 417 1HB ALA 57 1HB ALA 57 -7.201 -2.260 -5.190 418 2HB ALA 57 2HB ALA 57 -6.421 -3.860 -5.192 419 3HB ALA 57 3HB ALA 57 -5.937 -2.633 -6.387 420 HA PRO 58 HA PRO 58 -9.112 -1.638 -10.154 421 1HB PRO 58 2HB PRO 58 -11.454 -0.317 -9.664 422 2HB PRO 58 1HB PRO 58 -11.389 -1.966 -10.252 423 1HG PRO 58 2HG PRO 58 -12.030 -0.992 -7.536 424 2HG PRO 58 1HG PRO 58 -12.366 -2.558 -8.249 425 1HD PRO 58 2HD PRO 58 -10.291 -1.938 -6.367 426 2HD PRO 58 1HD PRO 58 -10.556 -3.474 -7.168 427 H VAL 59 H VAL 59 -7.850 -0.028 -10.811 428 HA VAL 59 HA VAL 59 -7.392 2.072 -8.879 429 HB VAL 59 HB VAL 59 -6.238 1.605 -11.635 430 1HG1 VAL 59 1HG1 VAL 59 -5.689 3.591 -9.458 431 2HG1 VAL 59 2HG1 VAL 59 -4.329 2.992 -10.439 432 3HG1 VAL 59 3HG1 VAL 59 -5.702 3.806 -11.225 433 1HG2 VAL 59 1HG2 VAL 59 -4.226 0.819 -10.234 434 2HG2 VAL 59 2HG2 VAL 59 -5.389 0.649 -8.897 435 3HG2 VAL 59 3HG2 VAL 59 -5.610 -0.290 -10.393 436 H SER 60 H SER 60 -9.876 1.438 -10.915 437 HA SER 60 HA SER 60 -10.108 3.599 -12.558 438 1HB SER 60 2HB SER 60 -12.713 3.180 -11.866 439 2HB SER 60 1HB SER 60 -11.832 2.163 -12.989 440 HG SER 60 HG SER 60 -12.245 1.700 -10.162 441 H GLU 61 H GLU 61 -10.915 3.241 -9.061 442 HA GLU 61 HA GLU 61 -10.407 5.834 -8.439 443 1HB GLU 61 2HB GLU 61 -12.754 5.814 -9.920 444 2HB GLU 61 1HB GLU 61 -13.366 5.766 -8.278 445 1HG GLU 61 2HG GLU 61 -12.084 7.774 -7.676 446 2HG GLU 61 1HG GLU 61 -11.276 7.778 -9.231 447 H PHE 62 H PHE 62 -9.827 3.415 -7.279 448 HA PHE 62 HA PHE 62 -11.583 2.380 -5.451 449 1HB PHE 62 2HB PHE 62 -9.295 1.937 -4.203 450 2HB PHE 62 1HB PHE 62 -9.471 1.289 -5.822 451 HD1 PHE 62 1HD PHE 62 -8.561 4.656 -4.467 452 HD2 PHE 62 2HD PHE 62 -7.499 1.416 -6.992 453 HE1 PHE 62 1HE PHE 62 -6.499 5.894 -5.186 454 HE2 PHE 62 2HE PHE 62 -5.438 2.653 -7.712 455 HZ PHE 62 HZ PHE 62 -4.962 4.877 -6.800 456 H ASP 63 H ASP 63 -10.556 2.539 -2.884 457 HA ASP 63 HA ASP 63 -11.402 5.212 -2.202 458 1HB ASP 63 2HB ASP 63 -10.843 3.686 0.144 459 2HB ASP 63 1HB ASP 63 -12.415 4.119 -0.497 460 H ARG 64 H ARG 64 -9.429 6.414 -2.656 461 HA ARG 64 HA ARG 64 -6.913 5.681 -2.155 462 1HB ARG 64 2HB ARG 64 -6.687 8.310 -1.535 463 2HB ARG 64 1HB ARG 64 -6.989 7.764 -3.173 464 1HG ARG 64 2HG ARG 64 -9.134 8.577 -3.191 465 2HG ARG 64 1HG ARG 64 -9.461 8.036 -1.556 466 1HD ARG 64 2HD ARG 64 -7.514 10.128 -1.337 467 2HD ARG 64 1HD ARG 64 -8.722 10.694 -2.474 468 HE ARG 64 HE ARG 64 -9.136 10.113 0.385 469 1HH1 ARG 64 2HH2 ARG 64 -10.660 10.689 -2.734 470 2HH1 ARG 64 1HH2 ARG 64 -12.182 11.153 -2.049 471 1HH2 ARG 64 2HH1 ARG 64 -11.143 10.725 1.290 472 2HH2 ARG 64 1HH1 ARG 64 -12.458 11.174 0.256 473 H LYS 65 H LYS 65 -9.409 6.629 0.185 474 HA LYS 65 HA LYS 65 -7.758 7.281 2.337 475 1HB LYS 65 2HB LYS 65 -9.897 7.937 2.737 476 2HB LYS 65 1HB LYS 65 -10.606 6.565 1.912 477 1HG LYS 65 2HG LYS 65 -11.099 6.236 4.235 478 2HG LYS 65 1HG LYS 65 -9.811 5.105 3.868 479 1HD LYS 65 2HD LYS 65 -9.158 6.143 5.922 480 2HD LYS 65 1HD LYS 65 -8.155 6.892 4.695 481 1HE LYS 65 2HE LYS 65 -8.906 8.792 5.825 482 2HE LYS 65 1HE LYS 65 -10.127 8.678 4.574 483 1HZ LYS 65 1HZ LYS 65 -11.547 7.536 6.107 484 2HZ LYS 65 2HZ LYS 65 -10.399 7.541 7.269 485 3HZ LYS 65 3HZ LYS 65 -11.067 8.947 6.776 486 H GLU 66 H GLU 66 -8.805 4.173 0.945 487 HA GLU 66 HA GLU 66 -7.722 2.761 3.201 488 1HB GLU 66 2HB GLU 66 -9.780 1.913 2.177 489 2HB GLU 66 1HB GLU 66 -9.010 1.811 0.607 490 1HG GLU 66 2HG GLU 66 -7.678 -0.042 1.222 491 2HG GLU 66 1HG GLU 66 -7.772 0.325 2.933 492 H TRP 67 H TRP 67 -6.754 3.906 0.034 493 HA TRP 67 HA TRP 67 -4.410 2.141 0.096 494 1HB TRP 67 2HB TRP 67 -5.460 3.807 -2.196 495 2HB TRP 67 1HB TRP 67 -4.138 2.658 -2.248 496 HD1 TRP 67 HD TRP 67 -7.904 2.815 -2.545 497 HE1 TRP 67 1HE TRP 67 -8.973 0.449 -3.013 498 HE3 TRP 67 3HE TRP 67 -3.686 0.140 -1.595 499 HZ2 TRP 67 2HZ TRP 67 -7.956 -2.217 -2.936 500 HZ3 TRP 67 3HZ TRP 67 -3.810 -2.340 -1.814 501 HH2 TRP 67 HH TRP 67 -5.851 -3.520 -2.459 502 H ASP 68 H ASP 68 -5.068 4.627 1.780 503 HA ASP 68 HA ASP 68 -3.149 6.493 0.709 504 1HB ASP 68 2HB ASP 68 -4.933 7.712 1.577 505 2HB ASP 68 1HB ASP 68 -5.284 6.522 2.814 506 H THR 69 H THR 69 -3.767 4.267 3.478 507 HA THR 69 HA THR 69 -1.010 4.745 4.402 508 HB THR 69 HB THR 69 -2.034 3.783 6.594 509 HG1 THR 69 1HG THR 69 -4.203 3.341 6.397 510 1HG2 THR 69 1HG2 THR 69 -2.886 5.899 7.302 511 2HG2 THR 69 2HG2 THR 69 -1.739 6.333 6.012 512 3HG2 THR 69 3HG2 THR 69 -3.487 6.296 5.675 513 HA PRO 70 HA PRO 70 -0.057 0.637 3.619 514 1HB PRO 70 2HB PRO 70 1.672 -0.018 5.631 515 2HB PRO 70 1HB PRO 70 2.144 0.924 4.231 516 1HG PRO 70 2HG PRO 70 1.649 1.837 6.999 517 2HG PRO 70 1HG PRO 70 2.514 2.653 5.712 518 1HD PRO 70 2HD PRO 70 -0.141 3.232 6.631 519 2HD PRO 70 1HD PRO 70 0.680 3.968 5.271 520 H ASN 71 H ASN 71 -1.236 1.269 6.826 521 HA ASN 71 HA ASN 71 -1.681 -1.397 7.469 522 1HB ASN 71 2HB ASN 71 -1.778 0.088 9.311 523 2HB ASN 71 1HB ASN 71 -2.728 1.275 8.439 524 1HD2 ASN 71 1HD2 ASN 71 -4.468 1.508 9.663 525 2HD2 ASN 71 2HD2 ASN 71 -5.574 0.257 10.124 526 H LYS 72 H LYS 72 -3.858 1.255 6.236 527 HA LYS 72 HA LYS 72 -6.174 -0.229 6.045 528 1HB LYS 72 2HB LYS 72 -5.130 2.310 4.961 529 2HB LYS 72 1HB LYS 72 -6.389 1.573 3.989 530 1HG LYS 72 2HG LYS 72 -8.004 2.018 5.539 531 2HG LYS 72 1HG LYS 72 -7.015 1.439 6.865 532 1HD LYS 72 2HD LYS 72 -6.006 3.544 7.220 533 2HD LYS 72 1HD LYS 72 -6.311 4.087 5.583 534 1HE LYS 72 2HE LYS 72 -7.828 5.266 7.102 535 2HE LYS 72 1HE LYS 72 -8.769 4.194 6.084 536 1HZ LYS 72 1HZ LYS 72 -7.851 3.491 8.785 537 2HZ LYS 72 2HZ LYS 72 -9.340 4.068 8.442 538 3HZ LYS 72 3HZ LYS 72 -8.868 2.623 7.847 539 H ILE 73 H ILE 73 -3.302 -0.103 3.944 540 HA ILE 73 HA ILE 73 -4.612 -1.566 1.847 541 HB ILE 73 HB ILE 73 -1.789 -0.629 2.321 542 1HG1 ILE 73 2HG1 ILE 73 -3.952 0.211 0.368 543 2HG1 ILE 73 1HG1 ILE 73 -3.401 1.117 1.764 544 1HG2 ILE 73 1HG2 ILE 73 -2.596 -2.821 0.703 545 2HG2 ILE 73 2HG2 ILE 73 -2.184 -1.471 -0.380 546 3HG2 ILE 73 3HG2 ILE 73 -0.997 -2.047 0.815 547 1HD1 ILE 73 1HD1 ILE 73 -1.244 0.272 -0.118 548 2HD1 ILE 73 2HD1 ILE 73 -2.401 1.464 -0.758 549 3HD1 ILE 73 3HD1 ILE 73 -1.479 1.824 0.721 550 H ILE 74 H ILE 74 -2.193 -2.203 4.454 551 HA ILE 74 HA ILE 74 -1.621 -4.815 3.804 552 HB ILE 74 HB ILE 74 -1.513 -3.122 6.228 553 1HG1 ILE 74 2HG1 ILE 74 0.513 -4.972 4.939 554 2HG1 ILE 74 1HG1 ILE 74 0.296 -3.288 4.507 555 1HG2 ILE 74 1HG2 ILE 74 -2.538 -5.161 7.126 556 2HG2 ILE 74 2HG2 ILE 74 -1.233 -6.134 6.407 557 3HG2 ILE 74 3HG2 ILE 74 -0.862 -4.958 7.691 558 1HD1 ILE 74 1HD1 ILE 74 1.122 -4.383 7.232 559 2HD1 ILE 74 2HD1 ILE 74 2.109 -3.409 6.116 560 3HD1 ILE 74 3HD1 ILE 74 0.713 -2.675 6.939 561 H ALA 75 H ALA 75 -4.595 -3.391 4.956 562 HA ALA 75 HA ALA 75 -5.601 -5.949 5.893 563 1HB ALA 75 1HB ALA 75 -5.993 -3.419 6.769 564 2HB ALA 75 2HB ALA 75 -7.360 -3.552 5.637 565 3HB ALA 75 3HB ALA 75 -7.197 -4.713 6.976 566 H LYS 76 H LYS 76 -5.519 -3.908 3.033 567 HA LYS 76 HA LYS 76 -7.880 -4.896 1.839 568 1HB LYS 76 2HB LYS 76 -5.611 -3.166 1.108 569 2HB LYS 76 1HB LYS 76 -6.275 -4.071 -0.237 570 1HG LYS 76 2HG LYS 76 -7.842 -2.275 1.673 571 2HG LYS 76 1HG LYS 76 -7.455 -1.917 0.002 572 1HD LYS 76 2HD LYS 76 -8.690 -4.360 -0.291 573 2HD LYS 76 1HD LYS 76 -9.535 -3.747 1.117 574 1HE LYS 76 2HE LYS 76 -9.673 -1.506 -0.368 575 2HE LYS 76 1HE LYS 76 -9.469 -2.639 -1.690 576 1HZ LYS 76 1HZ LYS 76 -11.480 -3.050 0.403 577 2HZ LYS 76 2HZ LYS 76 -11.795 -2.192 -0.952 578 3HZ LYS 76 3HZ LYS 76 -11.392 -3.771 -1.060 579 H VAL 77 H VAL 77 -4.407 -5.861 1.751 580 HA VAL 77 HA VAL 77 -4.710 -7.822 -0.220 581 HB VAL 77 HB VAL 77 -2.734 -7.259 1.971 582 1HG1 VAL 77 1HG1 VAL 77 -2.734 -9.651 0.104 583 2HG1 VAL 77 2HG1 VAL 77 -1.294 -9.070 0.974 584 3HG1 VAL 77 3HG1 VAL 77 -2.707 -9.655 1.883 585 1HG2 VAL 77 1HG2 VAL 77 -3.065 -6.180 -0.514 586 2HG2 VAL 77 2HG2 VAL 77 -1.518 -6.239 0.364 587 3HG2 VAL 77 3HG2 VAL 77 -1.896 -7.479 -0.856 588 H GLU 78 H GLU 78 -4.985 -7.905 3.380 589 HA GLU 78 HA GLU 78 -5.343 -10.669 3.494 590 1HB GLU 78 2HB GLU 78 -6.097 -8.425 5.410 591 2HB GLU 78 1HB GLU 78 -6.306 -10.120 5.806 592 1HG GLU 78 2HG GLU 78 -3.612 -9.172 4.801 593 2HG GLU 78 1HG GLU 78 -4.062 -8.840 6.463 594 H GLN 79 H GLN 79 -7.547 -7.904 2.984 595 HA GLN 79 HA GLN 79 -9.814 -9.686 3.145 596 1HB GLN 79 2HB GLN 79 -9.402 -6.718 3.172 597 2HB GLN 79 1HB GLN 79 -10.910 -7.288 2.485 598 1HG GLN 79 2HG GLN 79 -11.517 -7.125 4.731 599 2HG GLN 79 1HG GLN 79 -11.013 -8.802 4.667 600 1HE2 GLN 79 1HE2 GLN 79 -9.806 -5.518 5.257 601 2HE2 GLN 79 2HE2 GLN 79 -8.642 -5.920 6.476 602 H ALA 80 H ALA 80 -7.771 -9.983 1.003 603 HA ALA 80 HA ALA 80 -9.548 -9.477 -1.282 604 1HB ALA 80 1HB ALA 80 -7.085 -9.465 -2.428 605 2HB ALA 80 2HB ALA 80 -7.912 -7.991 -1.868 606 3HB ALA 80 3HB ALA 80 -6.688 -8.771 -0.838 607 H GLN 81 H GLN 81 -6.848 -11.429 0.134 608 HA GLN 81 HA GLN 81 -6.692 -13.383 -1.699 609 1HB GLN 81 2HB GLN 81 -6.595 -13.660 1.337 610 2HB GLN 81 1HB GLN 81 -6.027 -14.887 0.223 611 1HG GLN 81 2HG GLN 81 -4.950 -12.047 0.518 612 2HG GLN 81 1HG GLN 81 -4.120 -13.534 0.935 613 1HE2 GLN 81 1HE2 GLN 81 -5.199 -11.430 -1.607 614 2HE2 GLN 81 2HE2 GLN 81 -4.307 -12.129 -2.917 Start of MODEL 6 1 H ALA 2 H ALA 2 0.028 -15.242 3.199 2 HA ALA 2 HA ALA 2 -1.827 -16.333 4.655 3 1HB ALA 2 1HB ALA 2 -1.450 -18.834 4.647 4 2HB ALA 2 2HB ALA 2 -2.219 -18.196 3.173 5 3HB ALA 2 3HB ALA 2 -0.491 -18.622 3.163 6 H ASP 3 H ASP 3 1.542 -16.283 3.696 7 HA ASP 3 HA ASP 3 2.327 -16.933 6.411 8 1HB ASP 3 2HB ASP 3 3.737 -16.815 3.739 9 2HB ASP 3 1HB ASP 3 4.694 -16.616 5.193 10 H GLU 4 H GLU 4 4.639 -15.474 6.775 11 HA GLU 4 HA GLU 4 3.613 -12.840 7.031 12 1HB GLU 4 2HB GLU 4 5.751 -12.392 8.212 13 2HB GLU 4 1HB GLU 4 4.966 -13.835 8.822 14 1HG GLU 4 2HG GLU 4 6.510 -14.934 6.833 15 2HG GLU 4 1HG GLU 4 7.511 -13.567 7.277 16 H ALA 5 H ALA 5 4.809 -14.436 4.405 17 HA ALA 5 HA ALA 5 6.733 -12.562 3.462 18 1HB ALA 5 1HB ALA 5 5.642 -13.995 1.292 19 2HB ALA 5 2HB ALA 5 7.121 -14.385 2.205 20 3HB ALA 5 3HB ALA 5 5.564 -15.107 2.680 21 H ILE 6 H ILE 6 3.295 -12.575 3.783 22 HA ILE 6 HA ILE 6 2.900 -10.806 1.521 23 HB ILE 6 HB ILE 6 1.203 -12.392 3.355 24 1HG1 ILE 6 2HG1 ILE 6 0.941 -11.690 0.417 25 2HG1 ILE 6 1HG1 ILE 6 1.819 -13.077 1.033 26 1HG2 ILE 6 1HG2 ILE 6 0.510 -9.633 2.491 27 2HG2 ILE 6 2HG2 ILE 6 -0.748 -10.881 2.317 28 3HG2 ILE 6 3HG2 ILE 6 -0.020 -10.567 3.911 29 1HD1 ILE 6 1HD1 ILE 6 -1.151 -12.550 1.042 30 2HD1 ILE 6 2HD1 ILE 6 -0.268 -14.036 0.618 31 3HD1 ILE 6 3HD1 ILE 6 -0.460 -13.571 2.326 32 H LYS 7 H LYS 7 2.713 -10.769 5.135 33 HA LYS 7 HA LYS 7 2.037 -8.039 5.271 34 1HB LYS 7 2HB LYS 7 2.058 -10.132 7.019 35 2HB LYS 7 1HB LYS 7 3.478 -9.256 7.552 36 1HG LYS 7 2HG LYS 7 0.933 -7.714 6.997 37 2HG LYS 7 1HG LYS 7 1.063 -8.625 8.489 38 1HD LYS 7 2HD LYS 7 3.176 -6.617 7.585 39 2HD LYS 7 1HD LYS 7 1.826 -6.180 8.613 40 1HE LYS 7 2HE LYS 7 2.711 -7.233 10.460 41 2HE LYS 7 1HE LYS 7 3.319 -8.588 9.529 42 1HZ LYS 7 1HZ LYS 7 4.674 -6.265 10.340 43 2HZ LYS 7 2HZ LYS 7 5.283 -7.639 9.701 44 3HZ LYS 7 3HZ LYS 7 4.782 -6.433 8.720 45 H ASN 8 H ASN 8 5.109 -9.849 5.065 46 HA ASN 8 HA ASN 8 6.674 -7.596 5.724 47 1HB ASN 8 2HB ASN 8 7.257 -10.178 5.795 48 2HB ASN 8 1HB ASN 8 7.655 -9.979 4.100 49 1HD2 ASN 8 1HD2 ASN 8 9.555 -10.769 5.854 50 2HD2 ASN 8 2HD2 ASN 8 10.742 -9.532 6.107 51 H GLY 9 H GLY 9 5.907 -9.452 2.683 52 1HA GLY 9 2HA GLY 9 7.334 -7.913 0.871 53 2HA GLY 9 1HA GLY 9 5.901 -8.858 0.518 54 H VAL 10 H VAL 10 3.991 -7.495 2.193 55 HA VAL 10 HA VAL 10 3.283 -5.399 0.476 56 HB VAL 10 HB VAL 10 2.332 -6.384 3.153 57 1HG1 VAL 10 1HG1 VAL 10 1.914 -4.017 3.255 58 2HG1 VAL 10 2HG1 VAL 10 1.277 -4.004 1.593 59 3HG1 VAL 10 3HG1 VAL 10 0.376 -4.833 2.885 60 1HG2 VAL 10 1HG2 VAL 10 1.918 -7.618 0.942 61 2HG2 VAL 10 2HG2 VAL 10 0.503 -7.279 1.965 62 3HG2 VAL 10 3HG2 VAL 10 0.827 -6.273 0.533 63 H LEU 11 H LEU 11 4.811 -5.491 3.748 64 HA LEU 11 HA LEU 11 4.874 -2.667 3.986 65 1HB LEU 11 2HB LEU 11 5.325 -4.902 5.614 66 2HB LEU 11 1HB LEU 11 6.863 -4.064 5.554 67 HG LEU 11 HG LEU 11 4.235 -3.144 6.664 68 1HD1 LEU 11 1HD1 LEU 11 7.087 -2.978 7.675 69 2HD1 LEU 11 2HD1 LEU 11 5.629 -2.465 8.558 70 3HD1 LEU 11 3HD1 LEU 11 5.867 -4.182 8.156 71 1HD2 LEU 11 1HD2 LEU 11 6.083 -1.468 5.136 72 2HD2 LEU 11 2HD2 LEU 11 4.423 -1.144 5.692 73 3HD2 LEU 11 3HD2 LEU 11 5.799 -0.876 6.790 74 H ASP 12 H ASP 12 6.976 -5.152 2.552 75 HA ASP 12 HA ASP 12 9.230 -3.490 2.395 76 1HB ASP 12 2HB ASP 12 8.816 -6.144 2.060 77 2HB ASP 12 1HB ASP 12 8.744 -5.672 0.374 78 H ILE 13 H ILE 13 6.308 -4.077 0.443 79 HA ILE 13 HA ILE 13 7.355 -2.776 -1.894 80 HB ILE 13 HB ILE 13 4.893 -4.200 -1.099 81 1HG1 ILE 13 2HG1 ILE 13 6.009 -4.201 -3.862 82 2HG1 ILE 13 1HG1 ILE 13 7.029 -4.854 -2.595 83 1HG2 ILE 13 1HG2 ILE 13 3.720 -2.297 -1.760 84 2HG2 ILE 13 2HG2 ILE 13 4.881 -1.906 -3.050 85 3HG2 ILE 13 3HG2 ILE 13 3.778 -3.289 -3.235 86 1HD1 ILE 13 1HD1 ILE 13 5.673 -6.664 -3.514 87 2HD1 ILE 13 2HD1 ILE 13 5.110 -6.325 -1.860 88 3HD1 ILE 13 3HD1 ILE 13 4.181 -5.729 -3.255 89 H LEU 14 H LEU 14 5.944 -1.846 1.135 90 HA LEU 14 HA LEU 14 4.809 0.594 0.129 91 1HB LEU 14 2HB LEU 14 4.908 -0.888 2.663 92 2HB LEU 14 1HB LEU 14 4.963 0.854 2.849 93 HG LEU 14 HG LEU 14 2.678 -0.212 2.956 94 1HD1 LEU 14 1HD1 LEU 14 2.542 2.065 2.732 95 2HD1 LEU 14 2HD1 LEU 14 3.411 2.081 1.179 96 3HD1 LEU 14 3HD1 LEU 14 1.715 1.544 1.244 97 1HD2 LEU 14 1HD2 LEU 14 3.513 -1.316 0.460 98 2HD2 LEU 14 2HD2 LEU 14 2.002 -1.592 1.361 99 3HD2 LEU 14 3HD2 LEU 14 2.100 -0.272 0.171 100 H ALA 15 H ALA 15 7.568 -0.261 2.338 101 HA ALA 15 HA ALA 15 8.607 2.293 2.509 102 1HB ALA 15 1HB ALA 15 9.679 -0.506 2.811 103 2HB ALA 15 2HB ALA 15 10.807 0.871 2.867 104 3HB ALA 15 3HB ALA 15 9.470 0.768 4.038 105 H ASP 16 H ASP 16 8.956 -0.234 -0.008 106 HA ASP 16 HA ASP 16 11.070 1.018 -1.327 107 1HB ASP 16 2HB ASP 16 10.443 -1.358 -1.671 108 2HB ASP 16 1HB ASP 16 8.899 -0.874 -2.345 109 H LEU 17 H LEU 17 7.491 1.247 -1.430 110 HA LEU 17 HA LEU 17 7.257 2.638 -3.841 111 1HB LEU 17 2HB LEU 17 5.591 1.848 -1.612 112 2HB LEU 17 1HB LEU 17 5.182 3.464 -2.152 113 HG LEU 17 HG LEU 17 5.329 1.048 -3.974 114 1HD1 LEU 17 1HD1 LEU 17 3.489 0.450 -2.784 115 2HD1 LEU 17 2HD1 LEU 17 3.132 2.117 -2.274 116 3HD1 LEU 17 3HD1 LEU 17 2.715 1.582 -3.919 117 1HD2 LEU 17 1HD2 LEU 17 4.166 3.804 -4.456 118 2HD2 LEU 17 2HD2 LEU 17 5.715 3.204 -5.096 119 3HD2 LEU 17 3HD2 LEU 17 4.188 2.443 -5.602 120 H THR 18 H THR 18 7.309 3.863 -0.418 121 HA THR 18 HA THR 18 7.491 6.573 -1.282 122 HB THR 18 HB THR 18 7.550 7.009 1.102 123 HG1 THR 18 1HG THR 18 8.191 4.152 1.286 124 1HG2 THR 18 1HG2 THR 18 5.568 6.004 1.714 125 2HG2 THR 18 2HG2 THR 18 5.583 5.333 0.065 126 3HG2 THR 18 3HG2 THR 18 6.214 4.370 1.424 127 H GLY 19 H GLY 19 9.864 4.216 0.108 128 1HA GLY 19 2HA GLY 19 12.052 4.135 -0.858 129 2HA GLY 19 1HA GLY 19 11.984 5.866 -1.122 130 H SER 20 H SER 20 10.468 5.250 1.842 131 HA SER 20 HA SER 20 13.003 5.612 3.241 132 1HB SER 20 2HB SER 20 10.619 7.288 3.194 133 2HB SER 20 1HB SER 20 10.918 6.726 4.826 134 HG SER 20 HG SER 20 12.837 7.794 4.909 135 H ASP 21 H ASP 21 12.848 4.935 5.638 136 HA ASP 21 HA ASP 21 11.366 2.457 5.699 137 1HB ASP 21 2HB ASP 21 12.817 2.593 8.065 138 2HB ASP 21 1HB ASP 21 13.355 1.808 6.594 139 H ASP 22 H ASP 22 10.251 5.321 6.097 140 HA ASP 22 HA ASP 22 9.678 5.483 8.866 141 1HB ASP 22 2HB ASP 22 9.695 7.283 6.809 142 2HB ASP 22 1HB ASP 22 7.979 6.927 6.857 143 H VAL 23 H VAL 23 7.988 4.522 5.814 144 HA VAL 23 HA VAL 23 5.533 3.950 7.190 145 HB VAL 23 HB VAL 23 5.697 4.837 4.872 146 1HG1 VAL 23 1HG1 VAL 23 6.034 2.780 3.180 147 2HG1 VAL 23 2HG1 VAL 23 7.371 3.839 3.689 148 3HG1 VAL 23 3HG1 VAL 23 7.140 2.259 4.474 149 1HG2 VAL 23 1HG2 VAL 23 4.177 2.350 5.579 150 2HG2 VAL 23 2HG2 VAL 23 3.589 4.004 5.282 151 3HG2 VAL 23 3HG2 VAL 23 4.081 2.976 3.915 152 H LYS 24 H LYS 24 8.565 2.417 6.839 153 HA LYS 24 HA LYS 24 7.676 -0.256 6.577 154 1HB LYS 24 2HB LYS 24 9.916 0.376 5.930 155 2HB LYS 24 1HB LYS 24 10.279 0.958 7.543 156 1HG LYS 24 2HG LYS 24 9.632 -1.501 8.295 157 2HG LYS 24 1HG LYS 24 9.899 -1.901 6.610 158 1HD LYS 24 2HD LYS 24 12.196 -0.847 6.769 159 2HD LYS 24 1HD LYS 24 11.921 -0.574 8.477 160 1HE LYS 24 2HE LYS 24 11.537 -3.078 8.750 161 2HE LYS 24 1HE LYS 24 11.991 -3.286 7.069 162 1HZ LYS 24 1HZ LYS 24 14.135 -2.667 7.509 163 2HZ LYS 24 2HZ LYS 24 13.770 -1.838 8.867 164 3HZ LYS 24 3HZ LYS 24 13.762 -3.471 8.880 165 H LYS 25 H LYS 25 8.247 1.983 9.312 166 HA LYS 25 HA LYS 25 7.538 -0.173 11.153 167 1HB LYS 25 2HB LYS 25 8.444 1.213 12.890 168 2HB LYS 25 1HB LYS 25 9.605 1.130 11.581 169 1HG LYS 25 2HG LYS 25 9.614 3.425 11.965 170 2HG LYS 25 1HG LYS 25 8.366 3.337 10.738 171 1HD LYS 25 2HD LYS 25 6.825 4.164 12.182 172 2HD LYS 25 1HD LYS 25 7.131 2.858 13.310 173 1HE LYS 25 2HE LYS 25 9.330 4.321 13.855 174 2HE LYS 25 1HE LYS 25 8.336 5.622 13.229 175 1HZ LYS 25 1HZ LYS 25 7.634 3.814 15.436 176 2HZ LYS 25 2HZ LYS 25 7.988 5.405 15.551 177 3HZ LYS 25 3HZ LYS 25 6.616 4.924 14.806 178 H ASN 26 H ASN 26 6.570 3.112 10.033 179 HA ASN 26 HA ASN 26 4.435 3.329 11.804 180 1HB ASN 26 2HB ASN 26 5.114 4.625 9.130 181 2HB ASN 26 1HB ASN 26 3.609 5.006 9.941 182 1HD2 ASN 26 1HD2 ASN 26 6.632 6.038 9.471 183 2HD2 ASN 26 2HD2 ASN 26 6.946 6.924 10.927 184 H LEU 27 H LEU 27 2.187 2.792 11.507 185 HA LEU 27 HA LEU 27 1.605 1.243 9.079 186 1HB LEU 27 2HB LEU 27 0.927 0.681 11.955 187 2HB LEU 27 1HB LEU 27 -0.014 0.002 10.641 188 HG LEU 27 HG LEU 27 2.971 -0.373 10.707 189 1HD1 LEU 27 1HD1 LEU 27 0.996 -2.168 12.137 190 2HD1 LEU 27 2HD1 LEU 27 2.758 -2.380 12.017 191 3HD1 LEU 27 3HD1 LEU 27 2.088 -1.014 12.938 192 1HD2 LEU 27 1HD2 LEU 27 0.665 -1.494 9.235 193 2HD2 LEU 27 2HD2 LEU 27 2.360 -1.274 8.737 194 3HD2 LEU 27 3HD2 LEU 27 1.902 -2.668 9.747 195 H ASP 28 H ASP 28 1.322 4.130 9.490 196 HA ASP 28 HA ASP 28 -1.361 4.311 8.680 197 1HB ASP 28 2HB ASP 28 -0.903 4.550 11.481 198 2HB ASP 28 1HB ASP 28 -1.118 6.192 10.908 199 H LEU 29 H LEU 29 1.414 4.949 7.812 200 HA LEU 29 HA LEU 29 1.694 7.801 8.095 201 1HB LEU 29 2HB LEU 29 3.579 6.134 8.064 202 2HB LEU 29 1HB LEU 29 3.259 5.893 6.357 203 HG LEU 29 HG LEU 29 3.686 8.337 5.988 204 1HD1 LEU 29 1HD1 LEU 29 3.558 8.438 8.808 205 2HD1 LEU 29 2HD1 LEU 29 5.236 8.825 8.356 206 3HD1 LEU 29 3HD1 LEU 29 3.890 9.767 7.671 207 1HD2 LEU 29 1HD2 LEU 29 6.219 8.115 6.479 208 2HD2 LEU 29 2HD2 LEU 29 5.805 6.470 7.020 209 3HD2 LEU 29 3HD2 LEU 29 5.451 6.973 5.350 210 H ASN 30 H ASN 30 -0.125 8.766 7.155 211 HA ASN 30 HA ASN 30 -1.493 8.086 5.014 212 1HB ASN 30 2HB ASN 30 -0.943 10.543 6.424 213 2HB ASN 30 1HB ASN 30 -0.915 10.919 4.713 214 1HD2 ASN 30 1HD2 ASN 30 -2.769 8.839 6.939 215 2HD2 ASN 30 2HD2 ASN 30 -4.349 9.269 6.374 216 H LEU 31 H LEU 31 -0.409 7.102 3.233 217 HA LEU 31 HA LEU 31 2.016 7.977 2.190 218 1HB LEU 31 2HB LEU 31 -0.175 6.495 0.734 219 2HB LEU 31 1HB LEU 31 1.532 6.520 0.339 220 HG LEU 31 HG LEU 31 0.743 5.529 3.048 221 1HD1 LEU 31 1HD1 LEU 31 0.372 3.931 0.500 222 2HD1 LEU 31 2HD1 LEU 31 0.363 3.256 2.147 223 3HD1 LEU 31 3HD1 LEU 31 -0.892 4.420 1.655 224 1HD2 LEU 31 1HD2 LEU 31 2.725 4.345 2.974 225 2HD2 LEU 31 2HD2 LEU 31 2.757 4.293 1.195 226 3HD2 LEU 31 3HD2 LEU 31 3.133 5.809 2.047 227 H PHE 32 H PHE 32 -1.144 9.374 2.048 228 HA PHE 32 HA PHE 32 -0.542 10.794 -0.415 229 1HB PHE 32 2HB PHE 32 -2.870 10.072 1.306 230 2HB PHE 32 1HB PHE 32 -2.944 11.735 0.758 231 HD1 PHE 32 1HD PHE 32 -3.732 12.232 -1.382 232 HD2 PHE 32 2HD PHE 32 -2.544 8.256 -0.492 233 HE1 PHE 32 1HE PHE 32 -4.649 11.465 -3.589 234 HE2 PHE 32 2HE PHE 32 -3.461 7.489 -2.700 235 HZ PHE 32 HZ PHE 32 -4.503 9.101 -4.221 236 H GLU 33 H GLU 33 -1.526 11.550 3.007 237 HA GLU 33 HA GLU 33 -0.994 14.275 2.698 238 1HB GLU 33 2HB GLU 33 -2.324 12.774 4.544 239 2HB GLU 33 1HB GLU 33 -0.838 13.059 5.429 240 1HG GLU 33 2HG GLU 33 -1.120 15.561 4.828 241 2HG GLU 33 1HG GLU 33 -2.734 15.151 4.279 242 H THR 34 H THR 34 1.093 11.592 2.860 243 HA THR 34 HA THR 34 3.230 13.106 4.169 244 HB THR 34 HB THR 34 3.009 10.183 3.273 245 HG1 THR 34 1HG THR 34 2.577 9.952 5.565 246 1HG2 THR 34 1HG2 THR 34 5.377 11.361 3.673 247 2HG2 THR 34 2HG2 THR 34 4.894 11.267 5.384 248 3HG2 THR 34 3HG2 THR 34 5.034 9.780 4.416 249 H GLY 35 H GLY 35 1.942 12.437 1.052 250 1HA GLY 35 2HA GLY 35 2.682 12.964 -1.004 251 2HA GLY 35 1HA GLY 35 3.921 13.948 -0.252 252 H LEU 36 H LEU 36 3.996 10.704 0.923 253 HA LEU 36 HA LEU 36 6.524 10.251 -0.257 254 1HB LEU 36 2HB LEU 36 4.706 8.896 1.634 255 2HB LEU 36 1HB LEU 36 5.775 7.838 0.735 256 HG LEU 36 HG LEU 36 6.563 10.117 2.563 257 1HD1 LEU 36 1HD1 LEU 36 6.031 7.405 3.061 258 2HD1 LEU 36 2HD1 LEU 36 7.803 7.564 3.089 259 3HD1 LEU 36 3HD1 LEU 36 6.802 8.584 4.149 260 1HD2 LEU 36 1HD2 LEU 36 8.879 8.731 1.836 261 2HD2 LEU 36 2HD2 LEU 36 8.006 9.004 0.309 262 3HD2 LEU 36 3HD2 LEU 36 8.412 10.381 1.361 263 H LEU 37 H LEU 37 3.298 9.919 -1.402 264 HA LEU 37 HA LEU 37 4.159 7.909 -3.355 265 1HB LEU 37 2HB LEU 37 1.788 8.246 -1.810 266 2HB LEU 37 1HB LEU 37 1.368 8.461 -3.497 267 HG LEU 37 HG LEU 37 2.832 6.059 -2.372 268 1HD1 LEU 37 1HD1 LEU 37 0.504 5.023 -3.146 269 2HD1 LEU 37 2HD1 LEU 37 0.763 5.676 -1.510 270 3HD1 LEU 37 3HD1 LEU 37 -0.063 6.662 -2.741 271 1HD2 LEU 37 1HD2 LEU 37 1.788 6.688 -5.141 272 2HD2 LEU 37 2HD2 LEU 37 3.461 6.330 -4.648 273 3HD2 LEU 37 3HD2 LEU 37 2.225 5.050 -4.600 274 H ASP 38 H ASP 38 3.120 8.272 -5.613 275 HA ASP 38 HA ASP 38 3.220 11.132 -6.169 276 1HB ASP 38 2HB ASP 38 4.891 8.973 -7.170 277 2HB ASP 38 1HB ASP 38 3.980 9.650 -8.505 278 H SER 39 H SER 39 1.225 8.564 -5.890 279 HA SER 39 HA SER 39 -0.868 8.368 -6.582 280 1HB SER 39 2HB SER 39 -0.521 10.771 -7.632 281 2HB SER 39 1HB SER 39 -0.386 9.901 -9.147 282 HG SER 39 HG SER 39 -2.536 8.865 -7.944 283 H MET 40 H MET 40 1.635 8.393 -9.204 284 HA MET 40 HA MET 40 0.385 6.318 -10.634 285 1HB MET 40 2HB MET 40 2.730 8.063 -10.833 286 2HB MET 40 1HB MET 40 3.196 6.422 -11.234 287 1HG MET 40 2HG MET 40 2.448 7.063 -13.328 288 2HG MET 40 1HG MET 40 0.912 6.521 -12.680 289 1HE MET 40 1HE MET 40 -0.767 8.579 -11.232 290 2HE MET 40 2HE MET 40 -1.281 9.403 -12.724 291 3HE MET 40 3HE MET 40 -0.976 7.650 -12.735 292 H GLY 41 H GLY 41 2.575 6.463 -7.884 293 1HA GLY 41 2HA GLY 41 3.906 4.028 -8.099 294 2HA GLY 41 1HA GLY 41 3.514 4.867 -6.612 295 H THR 42 H THR 42 0.667 4.843 -6.687 296 HA THR 42 HA THR 42 0.105 2.368 -5.584 297 HB THR 42 HB THR 42 -1.252 4.867 -6.281 298 HG1 THR 42 1HG THR 42 -0.831 3.916 -4.141 299 1HG2 THR 42 1HG2 THR 42 -3.570 3.665 -6.116 300 2HG2 THR 42 2HG2 THR 42 -2.785 3.699 -7.714 301 3HG2 THR 42 3HG2 THR 42 -2.713 2.226 -6.719 302 H VAL 43 H VAL 43 -0.326 3.520 -8.969 303 HA VAL 43 HA VAL 43 -1.774 1.403 -9.934 304 HB VAL 43 HB VAL 43 0.403 3.066 -11.211 305 1HG1 VAL 43 1HG1 VAL 43 -1.725 1.591 -12.756 306 2HG1 VAL 43 2HG1 VAL 43 -0.182 2.271 -13.326 307 3HG1 VAL 43 3HG1 VAL 43 -0.190 0.795 -12.330 308 1HG2 VAL 43 1HG2 VAL 43 -1.266 4.569 -10.655 309 2HG2 VAL 43 2HG2 VAL 43 -1.773 4.070 -12.286 310 3HG2 VAL 43 3HG2 VAL 43 -2.566 3.369 -10.854 311 H GLN 44 H GLN 44 1.841 1.735 -9.762 312 HA GLN 44 HA GLN 44 2.310 -0.817 -10.745 313 1HB GLN 44 2HB GLN 44 3.948 1.137 -10.562 314 2HB GLN 44 1HB GLN 44 4.112 0.758 -8.860 315 1HG GLN 44 2HG GLN 44 5.309 -1.186 -9.256 316 2HG GLN 44 1HG GLN 44 4.436 -1.557 -10.730 317 1HE2 GLN 44 1HE2 GLN 44 7.161 -0.046 -9.303 318 2HE2 GLN 44 2HE2 GLN 44 7.956 0.506 -10.740 319 H LEU 45 H LEU 45 2.165 0.472 -7.357 320 HA LEU 45 HA LEU 45 2.839 -1.795 -5.999 321 1HB LEU 45 2HB LEU 45 2.469 -0.419 -4.329 322 2HB LEU 45 1HB LEU 45 1.748 0.730 -5.438 323 HG LEU 45 HG LEU 45 -0.458 -0.490 -5.091 324 1HD1 LEU 45 1HD1 LEU 45 -0.329 -2.469 -4.071 325 2HD1 LEU 45 2HD1 LEU 45 1.287 -2.126 -3.407 326 3HD1 LEU 45 3HD1 LEU 45 -0.165 -1.544 -2.559 327 1HD2 LEU 45 1HD2 LEU 45 -0.984 1.123 -3.641 328 2HD2 LEU 45 2HD2 LEU 45 0.160 0.522 -2.416 329 3HD2 LEU 45 3HD2 LEU 45 0.733 1.588 -3.721 330 H LEU 46 H LEU 46 -0.104 -1.076 -7.831 331 HA LEU 46 HA LEU 46 -1.646 -3.151 -6.655 332 1HB LEU 46 2HB LEU 46 -1.943 -1.088 -8.680 333 2HB LEU 46 1HB LEU 46 -2.683 -2.596 -9.179 334 HG LEU 46 HG LEU 46 -3.258 -1.189 -6.556 335 1HD1 LEU 46 1HD1 LEU 46 -4.974 -0.050 -7.488 336 2HD1 LEU 46 2HD1 LEU 46 -3.971 -0.195 -8.953 337 3HD1 LEU 46 3HD1 LEU 46 -5.322 -1.322 -8.683 338 1HD2 LEU 46 1HD2 LEU 46 -4.597 -2.890 -5.971 339 2HD2 LEU 46 2HD2 LEU 46 -5.189 -3.136 -7.632 340 3HD2 LEU 46 3HD2 LEU 46 -3.628 -3.830 -7.131 341 H LEU 47 H LEU 47 0.593 -2.852 -9.432 342 HA LEU 47 HA LEU 47 -0.053 -5.294 -10.629 343 1HB LEU 47 2HB LEU 47 1.498 -3.168 -11.250 344 2HB LEU 47 1HB LEU 47 2.734 -4.321 -10.786 345 HG LEU 47 HG LEU 47 2.231 -4.261 -13.227 346 1HD1 LEU 47 1HD1 LEU 47 1.559 -6.972 -12.080 347 2HD1 LEU 47 2HD1 LEU 47 2.466 -6.578 -13.560 348 3HD1 LEU 47 3HD1 LEU 47 3.185 -6.255 -11.965 349 1HD2 LEU 47 1HD2 LEU 47 0.211 -4.727 -14.147 350 2HD2 LEU 47 2HD2 LEU 47 -0.262 -5.836 -12.837 351 3HD2 LEU 47 3HD2 LEU 47 -0.362 -4.076 -12.593 352 H GLU 48 H GLU 48 2.152 -4.390 -7.947 353 HA GLU 48 HA GLU 48 3.248 -7.000 -7.816 354 1HB GLU 48 2HB GLU 48 3.721 -4.406 -6.605 355 2HB GLU 48 1HB GLU 48 3.658 -5.623 -5.346 356 1HG GLU 48 2HG GLU 48 5.924 -5.690 -5.990 357 2HG GLU 48 1HG GLU 48 5.241 -7.024 -6.899 358 H LEU 49 H LEU 49 0.441 -5.321 -6.500 359 HA LEU 49 HA LEU 49 0.053 -7.278 -4.414 360 1HB LEU 49 2HB LEU 49 -1.337 -4.779 -5.310 361 2HB LEU 49 1HB LEU 49 -2.165 -5.912 -4.260 362 HG LEU 49 HG LEU 49 0.326 -4.306 -3.692 363 1HD1 LEU 49 1HD1 LEU 49 -2.220 -4.580 -2.080 364 2HD1 LEU 49 2HD1 LEU 49 -0.919 -3.380 -1.889 365 3HD1 LEU 49 3HD1 LEU 49 -1.968 -3.334 -3.326 366 1HD2 LEU 49 1HD2 LEU 49 0.972 -6.410 -2.869 367 2HD2 LEU 49 2HD2 LEU 49 0.333 -5.535 -1.457 368 3HD2 LEU 49 3HD2 LEU 49 -0.662 -6.774 -2.261 369 H GLN 50 H GLN 50 -0.471 -7.050 -7.783 370 HA GLN 50 HA GLN 50 -2.695 -8.922 -7.574 371 1HB GLN 50 2HB GLN 50 -2.999 -6.744 -8.890 372 2HB GLN 50 1HB GLN 50 -1.837 -7.363 -10.046 373 1HG GLN 50 2HG GLN 50 -3.255 -9.260 -10.594 374 2HG GLN 50 1HG GLN 50 -4.327 -8.931 -9.247 375 1HE2 GLN 50 1HE2 GLN 50 -6.014 -7.639 -9.505 376 2HE2 GLN 50 2HE2 GLN 50 -6.373 -6.687 -10.906 377 H SER 51 H SER 51 0.454 -9.183 -7.443 378 HA SER 51 HA SER 51 0.576 -11.251 -9.499 379 1HB SER 51 2HB SER 51 2.145 -9.197 -9.708 380 2HB SER 51 1HB SER 51 2.986 -9.829 -8.307 381 HG SER 51 HG SER 51 3.161 -11.903 -9.590 382 H GLN 52 H GLN 52 2.048 -10.228 -6.325 383 HA GLN 52 HA GLN 52 2.552 -12.969 -5.694 384 1HB GLN 52 2HB GLN 52 2.895 -10.518 -3.915 385 2HB GLN 52 1HB GLN 52 3.637 -12.090 -3.688 386 1HG GLN 52 2HG GLN 52 4.149 -10.897 -6.364 387 2HG GLN 52 1HG GLN 52 4.800 -9.959 -5.034 388 1HE2 GLN 52 1HE2 GLN 52 6.664 -10.520 -4.187 389 2HE2 GLN 52 2HE2 GLN 52 7.498 -12.022 -4.410 390 H PHE 53 H PHE 53 0.100 -10.505 -5.075 391 HA PHE 53 HA PHE 53 -1.175 -12.347 -3.176 392 1HB PHE 53 2HB PHE 53 -1.710 -9.353 -3.553 393 2HB PHE 53 1HB PHE 53 -2.104 -10.329 -2.152 394 HD1 PHE 53 1HD PHE 53 0.815 -9.049 -4.076 395 HD2 PHE 53 2HD PHE 53 -0.670 -10.351 -0.320 396 HE1 PHE 53 1HE PHE 53 2.962 -8.346 -2.982 397 HE2 PHE 53 2HE PHE 53 1.476 -9.648 0.773 398 HZ PHE 53 HZ PHE 53 3.267 -8.653 -0.571 399 H GLY 54 H GLY 54 -1.235 -11.147 -6.346 400 1HA GLY 54 2HA GLY 54 -2.851 -10.894 -7.917 401 2HA GLY 54 1HA GLY 54 -3.408 -12.421 -7.262 402 H VAL 55 H VAL 55 -3.392 -9.126 -5.748 403 HA VAL 55 HA VAL 55 -6.033 -9.477 -4.791 404 HB VAL 55 HB VAL 55 -4.063 -8.097 -3.866 405 1HG1 VAL 55 1HG1 VAL 55 -3.566 -6.746 -5.807 406 2HG1 VAL 55 2HG1 VAL 55 -5.231 -6.118 -5.850 407 3HG1 VAL 55 3HG1 VAL 55 -4.150 -5.684 -4.505 408 1HG2 VAL 55 1HG2 VAL 55 -6.237 -6.255 -3.523 409 2HG2 VAL 55 2HG2 VAL 55 -6.886 -7.911 -3.583 410 3HG2 VAL 55 3HG2 VAL 55 -5.626 -7.491 -2.398 411 H ASP 56 H ASP 56 -7.825 -7.844 -5.279 412 HA ASP 56 HA ASP 56 -7.733 -7.134 -8.100 413 1HB ASP 56 2HB ASP 56 -9.103 -9.157 -7.889 414 2HB ASP 56 1HB ASP 56 -10.000 -8.465 -6.552 415 H ALA 57 H ALA 57 -7.932 -4.890 -8.151 416 HA ALA 57 HA ALA 57 -10.038 -3.668 -6.587 417 1HB ALA 57 1HB ALA 57 -8.402 -1.929 -5.726 418 2HB ALA 57 2HB ALA 57 -8.240 -3.543 -4.992 419 3HB ALA 57 3HB ALA 57 -7.088 -3.014 -6.242 420 HA PRO 58 HA PRO 58 -10.159 -1.192 -10.129 421 1HB PRO 58 2HB PRO 58 -11.353 1.090 -9.216 422 2HB PRO 58 1HB PRO 58 -12.243 -0.372 -9.592 423 1HG PRO 58 2HG PRO 58 -11.539 0.740 -6.946 424 2HG PRO 58 1HG PRO 58 -12.760 -0.452 -7.346 425 1HD PRO 58 2HD PRO 58 -10.196 -0.953 -6.161 426 2HD PRO 58 1HD PRO 58 -11.369 -2.152 -6.668 427 H VAL 59 H VAL 59 -9.663 1.054 -11.120 428 HA VAL 59 HA VAL 59 -7.360 2.163 -9.707 429 HB VAL 59 HB VAL 59 -7.309 1.428 -12.635 430 1HG1 VAL 59 1HG1 VAL 59 -5.113 2.291 -10.721 431 2HG1 VAL 59 2HG1 VAL 59 -4.899 1.861 -12.435 432 3HG1 VAL 59 3HG1 VAL 59 -5.852 3.297 -11.989 433 1HG2 VAL 59 1HG2 VAL 59 -7.119 -0.701 -11.906 434 2HG2 VAL 59 2HG2 VAL 59 -5.461 -0.214 -11.483 435 3HG2 VAL 59 3HG2 VAL 59 -6.734 -0.207 -10.240 436 H SER 60 H SER 60 -9.718 2.360 -12.438 437 HA SER 60 HA SER 60 -9.385 4.782 -13.369 438 1HB SER 60 2HB SER 60 -11.955 4.971 -13.439 439 2HB SER 60 1HB SER 60 -11.246 3.543 -14.167 440 HG SER 60 HG SER 60 -11.664 2.424 -12.087 441 H GLU 61 H GLU 61 -10.512 3.984 -10.079 442 HA GLU 61 HA GLU 61 -9.713 6.380 -9.030 443 1HB GLU 61 2HB GLU 61 -12.112 6.758 -10.437 444 2HB GLU 61 1HB GLU 61 -12.637 6.601 -8.771 445 1HG GLU 61 2HG GLU 61 -11.567 8.543 -8.095 446 2HG GLU 61 1HG GLU 61 -10.234 8.332 -9.212 447 H PHE 62 H PHE 62 -9.173 3.971 -8.122 448 HA PHE 62 HA PHE 62 -10.992 2.616 -6.582 449 1HB PHE 62 2HB PHE 62 -8.744 2.117 -5.249 450 2HB PHE 62 1HB PHE 62 -8.832 1.641 -6.933 451 HD1 PHE 62 1HD PHE 62 -8.202 4.961 -5.343 452 HD2 PHE 62 2HD PHE 62 -6.725 1.870 -7.848 453 HE1 PHE 62 1HE PHE 62 -6.162 6.337 -5.837 454 HE2 PHE 62 2HE PHE 62 -4.686 3.247 -8.343 455 HZ PHE 62 HZ PHE 62 -4.428 5.463 -7.333 456 H ASP 63 H ASP 63 -10.107 2.446 -3.955 457 HA ASP 63 HA ASP 63 -11.137 4.946 -2.957 458 1HB ASP 63 2HB ASP 63 -10.682 3.253 -0.770 459 2HB ASP 63 1HB ASP 63 -12.212 3.483 -1.593 460 H ARG 64 H ARG 64 -9.117 6.201 -3.311 461 HA ARG 64 HA ARG 64 -6.634 5.487 -2.621 462 1HB ARG 64 2HB ARG 64 -6.339 8.033 -2.071 463 2HB ARG 64 1HB ARG 64 -6.869 7.595 -3.682 464 1HG ARG 64 2HG ARG 64 -8.717 8.874 -3.389 465 2HG ARG 64 1HG ARG 64 -9.250 7.774 -2.133 466 1HD ARG 64 2HD ARG 64 -7.452 9.199 -0.678 467 2HD ARG 64 1HD ARG 64 -7.843 10.420 -1.871 468 HE ARG 64 HE ARG 64 -9.658 9.319 0.174 469 1HH1 ARG 64 2HH2 ARG 64 -9.385 11.171 -2.806 470 2HH1 ARG 64 1HH2 ARG 64 -10.917 11.954 -2.609 471 1HH2 ARG 64 2HH1 ARG 64 -11.680 10.352 0.433 472 2HH2 ARG 64 1HH1 ARG 64 -12.231 11.485 -0.755 473 H LYS 65 H LYS 65 -9.346 6.269 -0.489 474 HA LYS 65 HA LYS 65 -7.917 6.940 1.814 475 1HB LYS 65 2HB LYS 65 -10.139 7.505 1.936 476 2HB LYS 65 1HB LYS 65 -10.688 6.027 1.173 477 1HG LYS 65 2HG LYS 65 -10.734 4.851 3.157 478 2HG LYS 65 1HG LYS 65 -9.293 5.630 3.779 479 1HD LYS 65 2HD LYS 65 -11.943 7.114 3.532 480 2HD LYS 65 1HD LYS 65 -11.538 6.178 4.958 481 1HE LYS 65 2HE LYS 65 -9.391 7.547 5.152 482 2HE LYS 65 1HE LYS 65 -9.974 8.554 3.843 483 1HZ LYS 65 1HZ LYS 65 -10.574 9.510 5.915 484 2HZ LYS 65 2HZ LYS 65 -11.946 8.995 5.196 485 3HZ LYS 65 3HZ LYS 65 -11.302 8.142 6.430 486 H GLU 66 H GLU 66 -8.691 3.834 0.255 487 HA GLU 66 HA GLU 66 -7.808 2.387 2.565 488 1HB GLU 66 2HB GLU 66 -9.644 1.445 1.287 489 2HB GLU 66 1HB GLU 66 -8.730 1.526 -0.206 490 1HG GLU 66 2HG GLU 66 -7.341 -0.284 0.373 491 2HG GLU 66 1HG GLU 66 -7.567 -0.047 2.096 492 H TRP 67 H TRP 67 -6.516 3.661 -0.452 493 HA TRP 67 HA TRP 67 -4.087 2.052 -0.096 494 1HB TRP 67 2HB TRP 67 -4.739 3.741 -2.498 495 2HB TRP 67 1HB TRP 67 -3.591 2.424 -2.357 496 HD1 TRP 67 HD TRP 67 -7.278 3.074 -3.067 497 HE1 TRP 67 1HE TRP 67 -8.548 0.870 -3.770 498 HE3 TRP 67 3HE TRP 67 -3.497 -0.111 -1.877 499 HZ2 TRP 67 2HZ TRP 67 -7.845 -1.895 -3.750 500 HZ3 TRP 67 3HZ TRP 67 -3.870 -2.547 -2.249 501 HH2 TRP 67 HH TRP 67 -5.954 -3.453 -3.151 502 H ASP 68 H ASP 68 -5.130 4.476 1.497 503 HA ASP 68 HA ASP 68 -3.221 6.479 0.702 504 1HB ASP 68 2HB ASP 68 -5.168 7.562 1.370 505 2HB ASP 68 1HB ASP 68 -5.592 6.316 2.528 506 H THR 69 H THR 69 -3.931 4.051 3.244 507 HA THR 69 HA THR 69 -1.333 4.683 4.486 508 HB THR 69 HB THR 69 -2.521 3.755 6.597 509 HG1 THR 69 1HG THR 69 -4.614 3.159 6.184 510 1HG2 THR 69 1HG2 THR 69 -4.032 6.166 5.538 511 2HG2 THR 69 2HG2 THR 69 -3.437 5.859 7.187 512 3HG2 THR 69 3HG2 THR 69 -2.295 6.314 5.899 513 HA PRO 70 HA PRO 70 -0.242 0.591 3.820 514 1HB PRO 70 2HB PRO 70 1.408 0.039 5.927 515 2HB PRO 70 1HB PRO 70 1.919 0.955 4.523 516 1HG PRO 70 2HG PRO 70 1.273 1.932 7.237 517 2HG PRO 70 1HG PRO 70 2.174 2.735 5.968 518 1HD PRO 70 2HD PRO 70 -0.534 3.265 6.748 519 2HD PRO 70 1HD PRO 70 0.329 3.986 5.405 520 H ASN 71 H ASN 71 -1.754 1.335 6.822 521 HA ASN 71 HA ASN 71 -2.102 -1.338 7.585 522 1HB ASN 71 2HB ASN 71 -3.861 -0.341 9.139 523 2HB ASN 71 1HB ASN 71 -2.290 0.424 9.261 524 1HD2 ASN 71 1HD2 ASN 71 -2.100 2.529 8.951 525 2HD2 ASN 71 2HD2 ASN 71 -3.328 3.598 8.360 526 H LYS 72 H LYS 72 -4.063 1.142 5.824 527 HA LYS 72 HA LYS 72 -6.384 -0.448 5.613 528 1HB LYS 72 2HB LYS 72 -5.418 2.160 4.654 529 2HB LYS 72 1HB LYS 72 -6.498 1.360 3.530 530 1HG LYS 72 2HG LYS 72 -8.316 1.599 4.905 531 2HG LYS 72 1HG LYS 72 -7.411 1.165 6.342 532 1HD LYS 72 2HD LYS 72 -6.726 3.368 6.756 533 2HD LYS 72 1HD LYS 72 -6.812 3.831 5.068 534 1HE LYS 72 2HE LYS 72 -8.655 4.913 6.236 535 2HE LYS 72 1HE LYS 72 -9.331 3.681 5.189 536 1HZ LYS 72 1HZ LYS 72 -10.092 3.778 7.588 537 2HZ LYS 72 2HZ LYS 72 -9.736 2.308 6.974 538 3HZ LYS 72 3HZ LYS 72 -8.677 3.057 7.966 539 H ILE 73 H ILE 73 -3.341 -0.215 3.804 540 HA ILE 73 HA ILE 73 -4.381 -1.671 1.560 541 HB ILE 73 HB ILE 73 -1.666 -0.668 2.373 542 1HG1 ILE 73 2HG1 ILE 73 -3.557 0.045 0.113 543 2HG1 ILE 73 1HG1 ILE 73 -3.254 0.998 1.552 544 1HG2 ILE 73 1HG2 ILE 73 -0.835 -2.431 1.235 545 2HG2 ILE 73 2HG2 ILE 73 -2.357 -2.732 0.363 546 3HG2 ILE 73 3HG2 ILE 73 -1.262 -1.438 -0.180 547 1HD1 ILE 73 1HD1 ILE 73 -1.815 2.005 -0.008 548 2HD1 ILE 73 2HD1 ILE 73 -0.721 0.860 0.806 549 3HD1 ILE 73 3HD1 ILE 73 -1.411 0.455 -0.784 550 H ILE 74 H ILE 74 -2.069 -2.333 4.279 551 HA ILE 74 HA ILE 74 -1.521 -4.943 3.680 552 HB ILE 74 HB ILE 74 -1.527 -3.257 6.109 553 1HG1 ILE 74 2HG1 ILE 74 0.573 -5.159 5.049 554 2HG1 ILE 74 1HG1 ILE 74 0.357 -3.541 4.414 555 1HG2 ILE 74 1HG2 ILE 74 -0.899 -5.167 7.559 556 2HG2 ILE 74 2HG2 ILE 74 -2.599 -5.211 7.032 557 3HG2 ILE 74 3HG2 ILE 74 -1.401 -6.281 6.264 558 1HD1 ILE 74 1HD1 ILE 74 1.214 -2.531 6.296 559 2HD1 ILE 74 2HD1 ILE 74 0.501 -3.738 7.393 560 3HD1 ILE 74 3HD1 ILE 74 2.000 -4.114 6.509 561 H ALA 75 H ALA 75 -4.511 -3.497 4.867 562 HA ALA 75 HA ALA 75 -5.591 -6.042 5.691 563 1HB ALA 75 1HB ALA 75 -6.096 -3.860 6.831 564 2HB ALA 75 2HB ALA 75 -6.944 -3.336 5.356 565 3HB ALA 75 3HB ALA 75 -7.547 -4.732 6.283 566 H LYS 76 H LYS 76 -5.617 -3.844 2.878 567 HA LYS 76 HA LYS 76 -7.794 -5.121 1.591 568 1HB LYS 76 2HB LYS 76 -6.983 -2.765 1.206 569 2HB LYS 76 1HB LYS 76 -5.602 -3.430 0.357 570 1HG LYS 76 2HG LYS 76 -7.445 -2.810 -1.209 571 2HG LYS 76 1HG LYS 76 -7.066 -4.519 -1.292 572 1HD LYS 76 2HD LYS 76 -9.035 -5.155 -0.142 573 2HD LYS 76 1HD LYS 76 -9.227 -3.584 0.612 574 1HE LYS 76 2HE LYS 76 -10.251 -2.649 -1.253 575 2HE LYS 76 1HE LYS 76 -9.327 -3.616 -2.385 576 1HZ LYS 76 1HZ LYS 76 -11.469 -4.680 -0.678 577 2HZ LYS 76 2HZ LYS 76 -11.657 -4.258 -2.245 578 3HZ LYS 76 3HZ LYS 76 -10.670 -5.495 -1.845 579 H VAL 77 H VAL 77 -4.379 -5.827 2.005 580 HA VAL 77 HA VAL 77 -4.316 -7.605 -0.268 581 HB VAL 77 HB VAL 77 -2.361 -6.830 1.892 582 1HG1 VAL 77 1HG1 VAL 77 -2.017 -8.882 -0.317 583 2HG1 VAL 77 2HG1 VAL 77 -0.675 -8.174 0.615 584 3HG1 VAL 77 3HG1 VAL 77 -1.913 -9.153 1.440 585 1HG2 VAL 77 1HG2 VAL 77 -2.587 -5.116 0.258 586 2HG2 VAL 77 2HG2 VAL 77 -1.087 -5.990 -0.137 587 3HG2 VAL 77 3HG2 VAL 77 -2.566 -6.288 -1.081 588 H GLU 78 H GLU 78 -4.912 -7.672 3.226 589 HA GLU 78 HA GLU 78 -4.615 -10.510 3.339 590 1HB GLU 78 2HB GLU 78 -5.472 -8.374 5.317 591 2HB GLU 78 1HB GLU 78 -5.642 -10.075 5.706 592 1HG GLU 78 2HG GLU 78 -3.020 -9.844 4.657 593 2HG GLU 78 1HG GLU 78 -3.221 -8.418 5.656 594 H GLN 79 H GLN 79 -7.125 -8.165 2.633 595 HA GLN 79 HA GLN 79 -9.213 -10.063 3.189 596 1HB GLN 79 2HB GLN 79 -9.008 -7.166 2.773 597 2HB GLN 79 1HB GLN 79 -10.322 -7.850 1.837 598 1HG GLN 79 2HG GLN 79 -11.544 -8.431 3.707 599 2HG GLN 79 1HG GLN 79 -10.122 -8.878 4.631 600 1HE2 GLN 79 1HE2 GLN 79 -12.429 -6.473 3.919 601 2HE2 GLN 79 2HE2 GLN 79 -11.837 -5.200 4.935 602 H ALA 80 H ALA 80 -7.026 -10.378 1.019 603 HA ALA 80 HA ALA 80 -8.868 -10.673 -1.255 604 1HB ALA 80 1HB ALA 80 -6.154 -9.563 -0.983 605 2HB ALA 80 2HB ALA 80 -6.291 -10.780 -2.276 606 3HB ALA 80 3HB ALA 80 -7.350 -9.348 -2.284 607 H GLN 81 H GLN 81 -6.056 -12.070 0.546 608 HA GLN 81 HA GLN 81 -5.634 -14.333 -0.743 609 1HB GLN 81 2HB GLN 81 -5.935 -14.028 2.277 610 2HB GLN 81 1HB GLN 81 -5.147 -15.385 1.499 611 1HG GLN 81 2HG GLN 81 -4.288 -12.462 1.426 612 2HG GLN 81 1HG GLN 81 -3.418 -13.805 2.138 613 1HE2 GLN 81 1HE2 GLN 81 -4.147 -12.034 -0.705 614 2HE2 GLN 81 2HE2 GLN 81 -3.141 -12.887 -1.828 Start of MODEL 7 1 H ALA 2 H ALA 2 0.974 -17.956 10.803 2 HA ALA 2 HA ALA 2 3.706 -18.180 10.186 3 1HB ALA 2 1HB ALA 2 2.379 -19.892 8.222 4 2HB ALA 2 2HB ALA 2 3.886 -20.161 9.129 5 3HB ALA 2 3HB ALA 2 2.320 -20.591 9.858 6 H ASP 3 H ASP 3 3.423 -18.295 7.317 7 HA ASP 3 HA ASP 3 2.955 -17.030 5.623 8 1HB ASP 3 2HB ASP 3 0.392 -16.455 7.179 9 2HB ASP 3 1HB ASP 3 0.662 -15.882 5.544 10 H GLU 4 H GLU 4 4.559 -15.391 5.803 11 HA GLU 4 HA GLU 4 3.596 -12.889 6.862 12 1HB GLU 4 2HB GLU 4 5.094 -14.361 8.559 13 2HB GLU 4 1HB GLU 4 6.400 -13.628 7.650 14 1HG GLU 4 2HG GLU 4 6.109 -11.641 8.708 15 2HG GLU 4 1HG GLU 4 4.415 -11.594 8.262 16 H ALA 5 H ALA 5 4.388 -14.354 4.233 17 HA ALA 5 HA ALA 5 6.643 -12.743 3.376 18 1HB ALA 5 1HB ALA 5 5.181 -14.398 1.406 19 2HB ALA 5 2HB ALA 5 6.917 -14.350 1.795 20 3HB ALA 5 3HB ALA 5 5.804 -15.299 2.809 21 H ILE 6 H ILE 6 3.189 -12.593 3.542 22 HA ILE 6 HA ILE 6 2.997 -10.836 1.240 23 HB ILE 6 HB ILE 6 1.128 -12.332 2.982 24 1HG1 ILE 6 2HG1 ILE 6 1.037 -11.676 0.026 25 2HG1 ILE 6 1HG1 ILE 6 1.897 -13.049 0.693 26 1HG2 ILE 6 1HG2 ILE 6 -0.085 -10.476 3.416 27 2HG2 ILE 6 2HG2 ILE 6 0.614 -9.562 2.058 28 3HG2 ILE 6 3HG2 ILE 6 -0.676 -10.752 1.759 29 1HD1 ILE 6 1HD1 ILE 6 -0.217 -13.948 0.110 30 2HD1 ILE 6 2HD1 ILE 6 -0.363 -13.654 1.860 31 3HD1 ILE 6 3HD1 ILE 6 -1.089 -12.514 0.703 32 H LYS 7 H LYS 7 2.543 -10.762 4.833 33 HA LYS 7 HA LYS 7 1.918 -8.053 4.973 34 1HB LYS 7 2HB LYS 7 1.944 -10.115 6.721 35 2HB LYS 7 1HB LYS 7 3.408 -9.296 7.226 36 1HG LYS 7 2HG LYS 7 1.312 -7.329 6.744 37 2HG LYS 7 1HG LYS 7 0.710 -8.570 7.824 38 1HD LYS 7 2HD LYS 7 2.755 -8.269 9.268 39 2HD LYS 7 1HD LYS 7 3.293 -6.982 8.207 40 1HE LYS 7 2HE LYS 7 1.691 -5.483 8.970 41 2HE LYS 7 1HE LYS 7 0.491 -6.731 9.243 42 1HZ LYS 7 1HZ LYS 7 2.401 -5.675 11.041 43 2HZ LYS 7 2HZ LYS 7 1.059 -6.552 11.355 44 3HZ LYS 7 3HZ LYS 7 2.464 -7.307 11.002 45 H ASN 8 H ASN 8 5.032 -9.805 4.789 46 HA ASN 8 HA ASN 8 6.557 -7.526 5.418 47 1HB ASN 8 2HB ASN 8 7.117 -10.178 5.340 48 2HB ASN 8 1HB ASN 8 7.683 -9.768 3.732 49 1HD2 ASN 8 1HD2 ASN 8 9.457 -10.713 5.486 50 2HD2 ASN 8 2HD2 ASN 8 10.552 -9.490 6.038 51 H GLY 9 H GLY 9 6.030 -9.447 2.356 52 1HA GLY 9 2HA GLY 9 7.333 -7.854 0.555 53 2HA GLY 9 1HA GLY 9 5.910 -8.814 0.199 54 H VAL 10 H VAL 10 3.965 -7.497 1.842 55 HA VAL 10 HA VAL 10 3.186 -5.441 0.148 56 HB VAL 10 HB VAL 10 2.384 -6.305 2.917 57 1HG1 VAL 10 1HG1 VAL 10 0.494 -4.787 2.847 58 2HG1 VAL 10 2HG1 VAL 10 2.005 -3.857 2.712 59 3HG1 VAL 10 3HG1 VAL 10 1.013 -4.158 1.265 60 1HG2 VAL 10 1HG2 VAL 10 1.905 -7.547 0.619 61 2HG2 VAL 10 2HG2 VAL 10 0.680 -7.465 1.907 62 3HG2 VAL 10 3HG2 VAL 10 0.590 -6.351 0.521 63 H LEU 11 H LEU 11 4.794 -5.364 3.391 64 HA LEU 11 HA LEU 11 4.879 -2.536 3.465 65 1HB LEU 11 2HB LEU 11 5.095 -4.451 5.306 66 2HB LEU 11 1HB LEU 11 6.803 -4.205 5.005 67 HG LEU 11 HG LEU 11 6.737 -1.959 5.740 68 1HD1 LEU 11 1HD1 LEU 11 4.896 -0.957 4.757 69 2HD1 LEU 11 2HD1 LEU 11 3.764 -2.187 5.367 70 3HD1 LEU 11 3HD1 LEU 11 4.445 -0.975 6.478 71 1HD2 LEU 11 1HD2 LEU 11 4.811 -3.195 7.684 72 2HD2 LEU 11 2HD2 LEU 11 6.431 -3.895 7.453 73 3HD2 LEU 11 3HD2 LEU 11 6.259 -2.207 7.988 74 H ASP 12 H ASP 12 7.226 -5.123 2.532 75 HA ASP 12 HA ASP 12 9.381 -3.506 2.124 76 1HB ASP 12 2HB ASP 12 8.873 -6.160 1.831 77 2HB ASP 12 1HB ASP 12 8.859 -5.704 0.139 78 H ILE 13 H ILE 13 6.514 -4.221 0.081 79 HA ILE 13 HA ILE 13 7.578 -2.901 -2.225 80 HB ILE 13 HB ILE 13 5.139 -4.378 -1.472 81 1HG1 ILE 13 2HG1 ILE 13 6.194 -4.389 -4.236 82 2HG1 ILE 13 1HG1 ILE 13 7.340 -4.886 -3.007 83 1HG2 ILE 13 1HG2 ILE 13 5.089 -2.111 -3.462 84 2HG2 ILE 13 2HG2 ILE 13 3.994 -3.508 -3.585 85 3HG2 ILE 13 3HG2 ILE 13 3.951 -2.469 -2.141 86 1HD1 ILE 13 1HD1 ILE 13 5.412 -6.398 -2.094 87 2HD1 ILE 13 2HD1 ILE 13 4.644 -6.110 -3.673 88 3HD1 ILE 13 3HD1 ILE 13 6.237 -6.901 -3.589 89 H LEU 14 H LEU 14 5.898 -1.999 0.718 90 HA LEU 14 HA LEU 14 4.873 0.448 -0.381 91 1HB LEU 14 2HB LEU 14 4.527 -1.142 1.982 92 2HB LEU 14 1HB LEU 14 4.903 0.505 2.447 93 HG LEU 14 HG LEU 14 3.010 0.885 0.478 94 1HD1 LEU 14 1HD1 LEU 14 2.732 -1.690 0.615 95 2HD1 LEU 14 2HD1 LEU 14 1.877 -1.351 2.138 96 3HD1 LEU 14 3HD1 LEU 14 1.284 -0.657 0.610 97 1HD2 LEU 14 1HD2 LEU 14 1.565 0.798 2.867 98 2HD2 LEU 14 2HD2 LEU 14 3.237 1.162 3.355 99 3HD2 LEU 14 3HD2 LEU 14 2.411 2.198 2.167 100 H ALA 15 H ALA 15 7.412 -0.438 2.066 101 HA ALA 15 HA ALA 15 8.420 2.153 2.298 102 1HB ALA 15 1HB ALA 15 9.061 -0.561 3.168 103 2HB ALA 15 2HB ALA 15 10.530 0.377 2.803 104 3HB ALA 15 3HB ALA 15 9.352 0.992 3.987 105 H ASP 16 H ASP 16 8.720 -0.287 -0.208 106 HA ASP 16 HA ASP 16 11.151 0.756 -1.229 107 1HB ASP 16 2HB ASP 16 10.625 -1.573 -1.647 108 2HB ASP 16 1HB ASP 16 9.046 -1.171 -2.293 109 H LEU 17 H LEU 17 7.611 0.931 -1.960 110 HA LEU 17 HA LEU 17 7.760 2.327 -4.345 111 1HB LEU 17 2HB LEU 17 5.786 1.441 -2.522 112 2HB LEU 17 1HB LEU 17 5.485 3.145 -2.800 113 HG LEU 17 HG LEU 17 5.707 2.514 -5.331 114 1HD1 LEU 17 1HD1 LEU 17 6.479 0.299 -5.259 115 2HD1 LEU 17 2HD1 LEU 17 5.282 -0.174 -4.028 116 3HD1 LEU 17 3HD1 LEU 17 4.757 0.169 -5.695 117 1HD2 LEU 17 1HD2 LEU 17 3.301 1.790 -3.640 118 2HD2 LEU 17 2HD2 LEU 17 3.676 3.374 -4.358 119 3HD2 LEU 17 3HD2 LEU 17 3.284 1.991 -5.408 120 H THR 18 H THR 18 7.669 3.505 -0.929 121 HA THR 18 HA THR 18 7.779 6.246 -1.738 122 HB THR 18 HB THR 18 7.916 6.607 0.704 123 HG1 THR 18 1HG THR 18 8.231 4.579 1.976 124 1HG2 THR 18 1HG2 THR 18 5.980 5.347 1.488 125 2HG2 THR 18 2HG2 THR 18 5.691 5.723 -0.227 126 3HG2 THR 18 3HG2 THR 18 6.230 4.095 0.248 127 H GLY 19 H GLY 19 10.169 3.997 -0.189 128 1HA GLY 19 2HA GLY 19 12.391 3.909 -1.069 129 2HA GLY 19 1HA GLY 19 12.283 5.610 -1.473 130 H SER 20 H SER 20 10.687 5.198 1.480 131 HA SER 20 HA SER 20 13.166 5.619 2.954 132 1HB SER 20 2HB SER 20 10.766 7.368 2.736 133 2HB SER 20 1HB SER 20 11.341 7.122 4.372 134 HG SER 20 HG SER 20 13.319 8.039 3.870 135 H ASP 21 H ASP 21 12.561 5.500 5.497 136 HA ASP 21 HA ASP 21 10.825 3.171 5.736 137 1HB ASP 21 2HB ASP 21 13.025 2.472 6.320 138 2HB ASP 21 1HB ASP 21 13.393 3.984 7.125 139 H ASP 22 H ASP 22 9.090 4.966 5.952 140 HA ASP 22 HA ASP 22 9.106 5.936 8.702 141 1HB ASP 22 2HB ASP 22 9.275 7.595 6.570 142 2HB ASP 22 1HB ASP 22 7.536 7.377 6.572 143 H VAL 23 H VAL 23 7.239 4.922 5.773 144 HA VAL 23 HA VAL 23 4.816 4.630 7.326 145 HB VAL 23 HB VAL 23 5.047 5.518 4.929 146 1HG1 VAL 23 1HG1 VAL 23 4.806 2.659 4.056 147 2HG1 VAL 23 2HG1 VAL 23 5.354 4.090 3.149 148 3HG1 VAL 23 3HG1 VAL 23 6.426 3.335 4.353 149 1HG2 VAL 23 1HG2 VAL 23 2.827 5.213 4.774 150 2HG2 VAL 23 2HG2 VAL 23 2.979 3.440 4.763 151 3HG2 VAL 23 3HG2 VAL 23 2.975 4.323 6.309 152 H LYS 24 H LYS 24 7.624 2.927 7.175 153 HA LYS 24 HA LYS 24 6.435 0.309 6.844 154 1HB LYS 24 2HB LYS 24 8.579 0.597 5.844 155 2HB LYS 24 1HB LYS 24 9.257 1.297 7.299 156 1HG LYS 24 2HG LYS 24 8.062 -1.397 7.704 157 2HG LYS 24 1HG LYS 24 9.420 -1.384 6.596 158 1HD LYS 24 2HD LYS 24 10.862 -0.321 8.268 159 2HD LYS 24 1HD LYS 24 9.508 -0.075 9.353 160 1HE LYS 24 2HE LYS 24 9.760 -2.901 8.552 161 2HE LYS 24 1HE LYS 24 11.227 -2.308 9.305 162 1HZ LYS 24 1HZ LYS 24 9.141 -3.144 10.666 163 2HZ LYS 24 2HZ LYS 24 10.191 -2.040 11.253 164 3HZ LYS 24 3HZ LYS 24 8.774 -1.554 10.603 165 H LYS 25 H LYS 25 7.468 2.571 9.383 166 HA LYS 25 HA LYS 25 7.067 0.508 11.399 167 1HB LYS 25 2HB LYS 25 8.055 2.081 12.941 168 2HB LYS 25 1HB LYS 25 9.075 1.933 11.524 169 1HG LYS 25 2HG LYS 25 9.018 4.239 11.629 170 2HG LYS 25 1HG LYS 25 7.563 4.007 10.678 171 1HD LYS 25 2HD LYS 25 6.900 5.478 12.435 172 2HD LYS 25 1HD LYS 25 6.270 3.914 12.912 173 1HE LYS 25 2HE LYS 25 8.397 3.578 14.299 174 2HE LYS 25 1HE LYS 25 8.822 5.239 13.939 175 1HZ LYS 25 1HZ LYS 25 7.384 4.568 16.012 176 2HZ LYS 25 2HZ LYS 25 7.201 6.008 15.266 177 3HZ LYS 25 3HZ LYS 25 6.160 4.789 14.955 178 H ASN 26 H ASN 26 5.729 3.635 10.220 179 HA ASN 26 HA ASN 26 3.727 3.620 12.235 180 1HB ASN 26 2HB ASN 26 4.601 5.385 10.002 181 2HB ASN 26 1HB ASN 26 2.865 5.392 10.246 182 1HD2 ASN 26 1HD2 ASN 26 2.593 7.337 11.141 183 2HD2 ASN 26 2HD2 ASN 26 3.257 7.857 12.653 184 H LEU 27 H LEU 27 1.593 2.819 12.007 185 HA LEU 27 HA LEU 27 1.013 1.523 9.442 186 1HB LEU 27 2HB LEU 27 -0.185 0.985 12.162 187 2HB LEU 27 1HB LEU 27 -0.485 0.086 10.687 188 HG LEU 27 HG LEU 27 2.353 0.266 11.559 189 1HD1 LEU 27 1HD1 LEU 27 1.550 -0.103 13.719 190 2HD1 LEU 27 2HD1 LEU 27 0.224 -1.148 13.154 191 3HD1 LEU 27 3HD1 LEU 27 1.903 -1.738 13.109 192 1HD2 LEU 27 1HD2 LEU 27 2.317 -1.139 9.805 193 2HD2 LEU 27 2HD2 LEU 27 1.831 -2.343 11.023 194 3HD2 LEU 27 3HD2 LEU 27 0.596 -1.540 10.022 195 H ASP 28 H ASP 28 0.767 4.379 9.727 196 HA ASP 28 HA ASP 28 -1.884 4.613 8.856 197 1HB ASP 28 2HB ASP 28 -1.527 4.883 11.662 198 2HB ASP 28 1HB ASP 28 -1.649 6.527 11.066 199 H LEU 29 H LEU 29 0.907 5.166 8.031 200 HA LEU 29 HA LEU 29 1.141 8.056 8.209 201 1HB LEU 29 2HB LEU 29 3.013 6.241 8.461 202 2HB LEU 29 1HB LEU 29 3.017 6.270 6.708 203 HG LEU 29 HG LEU 29 3.259 8.871 7.028 204 1HD1 LEU 29 1HD1 LEU 29 4.126 9.674 9.003 205 2HD1 LEU 29 2HD1 LEU 29 2.962 8.465 9.596 206 3HD1 LEU 29 3HD1 LEU 29 4.698 8.075 9.535 207 1HD2 LEU 29 1HD2 LEU 29 4.890 7.292 5.988 208 2HD2 LEU 29 2HD2 LEU 29 5.638 8.667 6.837 209 3HD2 LEU 29 3HD2 LEU 29 5.616 7.057 7.597 210 H ASN 30 H ASN 30 -0.402 9.012 6.920 211 HA ASN 30 HA ASN 30 -1.443 8.004 4.644 212 1HB ASN 30 2HB ASN 30 -0.815 10.975 4.990 213 2HB ASN 30 1HB ASN 30 -2.183 10.271 4.151 214 1HD2 ASN 30 1HD2 ASN 30 -3.236 8.464 5.731 215 2HD2 ASN 30 2HD2 ASN 30 -3.754 9.102 7.255 216 H LEU 31 H LEU 31 0.172 7.023 3.259 217 HA LEU 31 HA LEU 31 2.588 8.072 2.554 218 1HB LEU 31 2HB LEU 31 0.772 6.499 0.728 219 2HB LEU 31 1HB LEU 31 2.520 6.596 0.662 220 HG LEU 31 HG LEU 31 1.576 5.647 3.259 221 1HD1 LEU 31 1HD1 LEU 31 0.348 3.816 2.752 222 2HD1 LEU 31 2HD1 LEU 31 -0.122 4.810 1.352 223 3HD1 LEU 31 3HD1 LEU 31 1.147 3.573 1.179 224 1HD2 LEU 31 1HD2 LEU 31 3.232 3.887 2.840 225 2HD2 LEU 31 2HD2 LEU 31 3.428 4.468 1.170 226 3HD2 LEU 31 3HD2 LEU 31 3.898 5.510 2.534 227 H PHE 32 H PHE 32 -0.625 9.163 1.674 228 HA PHE 32 HA PHE 32 0.355 10.667 -0.589 229 1HB PHE 32 2HB PHE 32 -2.235 9.970 0.801 230 2HB PHE 32 1HB PHE 32 -2.231 11.507 -0.042 231 HD1 PHE 32 1HD PHE 32 -2.687 8.014 -0.372 232 HD2 PHE 32 2HD PHE 32 -1.453 11.458 -2.522 233 HE1 PHE 32 1HE PHE 32 -3.149 6.829 -2.535 234 HE2 PHE 32 2HE PHE 32 -1.915 10.273 -4.686 235 HZ PHE 32 HZ PHE 32 -2.758 7.972 -4.667 236 H GLU 33 H GLU 33 -0.996 11.276 2.719 237 HA GLU 33 HA GLU 33 -0.691 14.067 2.446 238 1HB GLU 33 2HB GLU 33 -2.037 12.337 4.186 239 2HB GLU 33 1HB GLU 33 -0.795 13.035 5.208 240 1HG GLU 33 2HG GLU 33 -1.535 15.288 4.750 241 2HG GLU 33 1HG GLU 33 -2.539 14.768 3.410 242 H THR 34 H THR 34 1.520 11.515 2.917 243 HA THR 34 HA THR 34 3.361 13.174 4.478 244 HB THR 34 HB THR 34 4.617 10.990 4.639 245 HG1 THR 34 1HG THR 34 3.851 10.137 2.583 246 1HG2 THR 34 1HG2 THR 34 3.222 10.784 6.462 247 2HG2 THR 34 2HG2 THR 34 1.807 11.357 5.548 248 3HG2 THR 34 3HG2 THR 34 2.312 9.655 5.430 249 H GLY 35 H GLY 35 2.585 12.293 1.224 250 1HA GLY 35 2HA GLY 35 3.549 12.910 -0.716 251 2HA GLY 35 1HA GLY 35 4.659 13.922 0.185 252 H LEU 36 H LEU 36 4.199 10.370 0.604 253 HA LEU 36 HA LEU 36 6.998 10.056 -0.223 254 1HB LEU 36 2HB LEU 36 5.355 8.936 1.953 255 2HB LEU 36 1HB LEU 36 6.364 7.771 1.116 256 HG LEU 36 HG LEU 36 7.508 10.355 2.176 257 1HD1 LEU 36 1HD1 LEU 36 8.062 9.304 4.257 258 2HD1 LEU 36 2HD1 LEU 36 6.305 9.162 4.008 259 3HD1 LEU 36 3HD1 LEU 36 7.361 7.756 3.724 260 1HD2 LEU 36 1HD2 LEU 36 9.582 9.408 1.871 261 2HD2 LEU 36 2HD2 LEU 36 8.963 7.742 1.973 262 3HD2 LEU 36 3HD2 LEU 36 8.679 8.709 0.506 263 H LEU 37 H LEU 37 3.669 9.368 -0.972 264 HA LEU 37 HA LEU 37 4.386 7.096 -2.631 265 1HB LEU 37 2HB LEU 37 2.034 8.040 -1.279 266 2HB LEU 37 1HB LEU 37 1.684 7.840 -2.984 267 HG LEU 37 HG LEU 37 2.773 5.724 -1.110 268 1HD1 LEU 37 1HD1 LEU 37 0.679 5.061 -0.753 269 2HD1 LEU 37 2HD1 LEU 37 0.161 6.602 -1.476 270 3HD1 LEU 37 3HD1 LEU 37 0.277 5.140 -2.485 271 1HD2 LEU 37 1HD2 LEU 37 2.374 4.191 -3.092 272 2HD2 LEU 37 2HD2 LEU 37 2.292 5.661 -4.092 273 3HD2 LEU 37 3HD2 LEU 37 3.783 5.276 -3.197 274 H ASP 38 H ASP 38 3.205 7.167 -4.920 275 HA ASP 38 HA ASP 38 3.670 9.818 -6.028 276 1HB ASP 38 2HB ASP 38 4.582 7.136 -7.169 277 2HB ASP 38 1HB ASP 38 4.617 8.635 -8.076 278 H SER 39 H SER 39 2.110 10.400 -7.632 279 HA SER 39 HA SER 39 -0.321 9.318 -7.606 280 1HB SER 39 2HB SER 39 -0.421 11.260 -8.798 281 2HB SER 39 1HB SER 39 1.192 11.055 -9.452 282 HG SER 39 HG SER 39 -1.293 9.982 -10.436 283 H MET 40 H MET 40 2.493 8.268 -9.561 284 HA MET 40 HA MET 40 0.850 6.315 -10.906 285 1HB MET 40 2HB MET 40 2.785 7.769 -11.942 286 2HB MET 40 1HB MET 40 3.879 6.674 -11.121 287 1HG MET 40 2HG MET 40 3.687 5.265 -12.894 288 2HG MET 40 1HG MET 40 2.029 4.964 -12.411 289 1HE MET 40 1HE MET 40 0.090 6.170 -13.048 290 2HE MET 40 2HE MET 40 -0.156 6.917 -14.644 291 3HE MET 40 3HE MET 40 0.252 5.189 -14.524 292 H GLY 41 H GLY 41 3.012 6.620 -8.167 293 1HA GLY 41 2HA GLY 41 4.092 4.064 -7.985 294 2HA GLY 41 1HA GLY 41 3.750 5.142 -6.646 295 H THR 42 H THR 42 1.235 5.316 -6.110 296 HA THR 42 HA THR 42 0.375 3.007 -5.027 297 HB THR 42 HB THR 42 -0.626 5.640 -5.540 298 HG1 THR 42 1HG THR 42 -1.722 3.339 -4.081 299 1HG2 THR 42 1HG2 THR 42 -2.217 4.796 -7.203 300 2HG2 THR 42 2HG2 THR 42 -2.595 3.385 -6.186 301 3HG2 THR 42 3HG2 THR 42 -3.100 5.014 -5.673 302 H VAL 43 H VAL 43 -0.151 4.050 -8.426 303 HA VAL 43 HA VAL 43 -1.916 2.007 -9.102 304 HB VAL 43 HB VAL 43 0.114 3.528 -10.747 305 1HG1 VAL 43 1HG1 VAL 43 -0.442 2.275 -12.504 306 2HG1 VAL 43 2HG1 VAL 43 -1.498 1.280 -11.473 307 3HG1 VAL 43 3HG1 VAL 43 -2.150 2.722 -12.288 308 1HG2 VAL 43 1HG2 VAL 43 -1.249 5.242 -10.212 309 2HG2 VAL 43 2HG2 VAL 43 -2.359 4.511 -11.397 310 3HG2 VAL 43 3HG2 VAL 43 -2.554 4.166 -9.661 311 H GLN 44 H GLN 44 1.698 2.208 -9.363 312 HA GLN 44 HA GLN 44 2.020 -0.294 -10.458 313 1HB GLN 44 2HB GLN 44 3.736 1.591 -10.221 314 2HB GLN 44 1HB GLN 44 3.971 1.075 -8.562 315 1HG GLN 44 2HG GLN 44 5.067 -0.876 -9.166 316 2HG GLN 44 1HG GLN 44 4.110 -1.096 -10.618 317 1HE2 GLN 44 1HE2 GLN 44 5.398 -1.137 -12.290 318 2HE2 GLN 44 2HE2 GLN 44 6.688 -0.039 -12.651 319 H LEU 45 H LEU 45 2.024 0.776 -6.997 320 HA LEU 45 HA LEU 45 2.712 -1.553 -5.782 321 1HB LEU 45 2HB LEU 45 2.352 -0.263 -4.042 322 2HB LEU 45 1HB LEU 45 1.568 0.918 -5.070 323 HG LEU 45 HG LEU 45 -0.603 -0.242 -4.715 324 1HD1 LEU 45 1HD1 LEU 45 -0.442 -2.399 -4.118 325 2HD1 LEU 45 2HD1 LEU 45 1.147 -2.178 -3.347 326 3HD1 LEU 45 3HD1 LEU 45 -0.337 -1.751 -2.463 327 1HD2 LEU 45 1HD2 LEU 45 -0.962 0.555 -2.442 328 2HD2 LEU 45 2HD2 LEU 45 0.794 0.615 -2.167 329 3HD2 LEU 45 3HD2 LEU 45 0.044 1.699 -3.362 330 H LEU 46 H LEU 46 -0.434 -0.655 -7.257 331 HA LEU 46 HA LEU 46 -1.856 -2.860 -6.276 332 1HB LEU 46 2HB LEU 46 -2.261 -0.637 -8.050 333 2HB LEU 46 1HB LEU 46 -2.899 -2.093 -8.787 334 HG LEU 46 HG LEU 46 -3.637 -1.012 -6.052 335 1HD1 LEU 46 1HD1 LEU 46 -4.448 0.019 -8.394 336 2HD1 LEU 46 2HD1 LEU 46 -5.647 -1.286 -8.221 337 3HD1 LEU 46 3HD1 LEU 46 -5.481 -0.054 -6.946 338 1HD2 LEU 46 1HD2 LEU 46 -3.651 -3.631 -6.675 339 2HD2 LEU 46 2HD2 LEU 46 -4.846 -2.866 -5.601 340 3HD2 LEU 46 3HD2 LEU 46 -5.246 -3.162 -7.310 341 H LEU 47 H LEU 47 0.274 -2.365 -9.115 342 HA LEU 47 HA LEU 47 -0.389 -4.725 -10.445 343 1HB LEU 47 2HB LEU 47 1.189 -2.554 -10.918 344 2HB LEU 47 1HB LEU 47 2.397 -3.791 -10.631 345 HG LEU 47 HG LEU 47 1.847 -3.511 -13.017 346 1HD1 LEU 47 1HD1 LEU 47 0.939 -6.129 -13.104 347 2HD1 LEU 47 2HD1 LEU 47 2.634 -5.595 -13.025 348 3HD1 LEU 47 3HD1 LEU 47 1.764 -6.018 -11.531 349 1HD2 LEU 47 1HD2 LEU 47 -0.594 -2.947 -12.554 350 2HD2 LEU 47 2HD2 LEU 47 -0.257 -3.991 -13.956 351 3HD2 LEU 47 3HD2 LEU 47 -0.867 -4.702 -12.442 352 H GLU 48 H GLU 48 1.896 -4.002 -7.772 353 HA GLU 48 HA GLU 48 2.967 -6.630 -7.842 354 1HB GLU 48 2HB GLU 48 3.494 -4.115 -6.461 355 2HB GLU 48 1HB GLU 48 3.523 -5.445 -5.320 356 1HG GLU 48 2HG GLU 48 5.595 -5.986 -6.056 357 2HG GLU 48 1HG GLU 48 4.905 -6.406 -7.611 358 H LEU 49 H LEU 49 0.225 -5.006 -6.348 359 HA LEU 49 HA LEU 49 -0.106 -7.048 -4.337 360 1HB LEU 49 2HB LEU 49 -1.464 -4.493 -5.079 361 2HB LEU 49 1HB LEU 49 -2.350 -5.676 -4.136 362 HG LEU 49 HG LEU 49 0.148 -4.166 -3.390 363 1HD1 LEU 49 1HD1 LEU 49 -1.861 -3.005 -2.860 364 2HD1 LEU 49 2HD1 LEU 49 -2.600 -4.466 -2.161 365 3HD1 LEU 49 3HD1 LEU 49 -1.227 -3.683 -1.342 366 1HD2 LEU 49 1HD2 LEU 49 -0.826 -6.785 -2.285 367 2HD2 LEU 49 2HD2 LEU 49 0.830 -6.259 -2.671 368 3HD2 LEU 49 3HD2 LEU 49 0.002 -5.610 -1.236 369 H GLN 50 H GLN 50 -0.673 -6.747 -7.676 370 HA GLN 50 HA GLN 50 -2.862 -8.667 -7.470 371 1HB GLN 50 2HB GLN 50 -3.428 -6.484 -8.595 372 2HB GLN 50 1HB GLN 50 -2.207 -6.817 -9.808 373 1HG GLN 50 2HG GLN 50 -3.406 -8.681 -10.690 374 2HG GLN 50 1HG GLN 50 -4.383 -8.857 -9.246 375 1HE2 GLN 50 1HE2 GLN 50 -6.019 -7.330 -8.783 376 2HE2 GLN 50 2HE2 GLN 50 -6.769 -6.390 -10.029 377 H SER 51 H SER 51 0.285 -8.823 -7.519 378 HA SER 51 HA SER 51 0.382 -10.704 -9.747 379 1HB SER 51 2HB SER 51 1.877 -8.658 -9.940 380 2HB SER 51 1HB SER 51 2.732 -9.206 -8.512 381 HG SER 51 HG SER 51 3.462 -11.045 -9.612 382 H GLN 52 H GLN 52 1.805 -9.914 -6.491 383 HA GLN 52 HA GLN 52 2.425 -12.701 -6.142 384 1HB GLN 52 2HB GLN 52 2.921 -10.270 -4.369 385 2HB GLN 52 1HB GLN 52 3.461 -11.892 -3.985 386 1HG GLN 52 2HG GLN 52 4.192 -10.934 -6.719 387 2HG GLN 52 1HG GLN 52 4.952 -10.063 -5.402 388 1HE2 GLN 52 1HE2 GLN 52 6.661 -10.895 -4.439 389 2HE2 GLN 52 2HE2 GLN 52 7.264 -12.509 -4.612 390 H PHE 53 H PHE 53 -0.071 -10.383 -5.350 391 HA PHE 53 HA PHE 53 -1.204 -12.323 -3.457 392 1HB PHE 53 2HB PHE 53 -1.886 -9.349 -3.671 393 2HB PHE 53 1HB PHE 53 -2.111 -10.395 -2.283 394 HD1 PHE 53 1HD PHE 53 -0.540 -10.390 -0.570 395 HD2 PHE 53 2HD PHE 53 0.572 -8.885 -4.378 396 HE1 PHE 53 1HE PHE 53 1.644 -9.600 0.381 397 HE2 PHE 53 2HE PHE 53 2.756 -8.093 -3.427 398 HZ PHE 53 HZ PHE 53 3.266 -8.460 -1.059 399 H GLY 54 H GLY 54 -1.442 -10.880 -6.547 400 1HA GLY 54 2HA GLY 54 -3.085 -10.720 -8.080 401 2HA GLY 54 1HA GLY 54 -3.667 -12.219 -7.383 402 H VAL 55 H VAL 55 -3.473 -9.058 -5.672 403 HA VAL 55 HA VAL 55 -5.861 -9.147 -4.449 404 HB VAL 55 HB VAL 55 -4.082 -7.460 -4.158 405 1HG1 VAL 55 1HG1 VAL 55 -5.282 -5.871 -6.419 406 2HG1 VAL 55 2HG1 VAL 55 -3.708 -5.675 -5.610 407 3HG1 VAL 55 3HG1 VAL 55 -3.972 -7.037 -6.725 408 1HG2 VAL 55 1HG2 VAL 55 -6.937 -6.524 -4.520 409 2HG2 VAL 55 2HG2 VAL 55 -6.106 -7.003 -3.021 410 3HG2 VAL 55 3HG2 VAL 55 -5.667 -5.482 -3.835 411 H ASP 56 H ASP 56 -7.985 -8.155 -4.855 412 HA ASP 56 HA ASP 56 -8.566 -8.155 -7.713 413 1HB ASP 56 2HB ASP 56 -9.920 -9.435 -5.373 414 2HB ASP 56 1HB ASP 56 -10.995 -8.681 -6.534 415 H ALA 57 H ALA 57 -7.756 -5.759 -6.633 416 HA ALA 57 HA ALA 57 -10.223 -4.365 -5.865 417 1HB ALA 57 1HB ALA 57 -8.822 -3.713 -4.199 418 2HB ALA 57 2HB ALA 57 -7.363 -4.157 -5.117 419 3HB ALA 57 3HB ALA 57 -8.169 -2.600 -5.424 420 HA PRO 58 HA PRO 58 -10.124 -2.268 -9.646 421 1HB PRO 58 2HB PRO 58 -11.417 0.061 -9.035 422 2HB PRO 58 1HB PRO 58 -12.253 -1.449 -9.341 423 1HG PRO 58 2HG PRO 58 -11.767 -0.088 -6.761 424 2HG PRO 58 1HG PRO 58 -12.935 -1.337 -7.140 425 1HD PRO 58 2HD PRO 58 -10.461 -1.672 -5.729 426 2HD PRO 58 1HD PRO 58 -11.573 -2.938 -6.209 427 H VAL 59 H VAL 59 -9.503 -0.223 -10.859 428 HA VAL 59 HA VAL 59 -7.284 1.012 -9.387 429 HB VAL 59 HB VAL 59 -7.300 0.037 -12.251 430 1HG1 VAL 59 1HG1 VAL 59 -5.917 2.213 -11.224 431 2HG1 VAL 59 2HG1 VAL 59 -4.733 0.886 -11.127 432 3HG1 VAL 59 3HG1 VAL 59 -5.492 1.290 -12.686 433 1HG2 VAL 59 1HG2 VAL 59 -5.353 -0.890 -10.163 434 2HG2 VAL 59 2HG2 VAL 59 -6.991 -1.584 -10.190 435 3HG2 VAL 59 3HG2 VAL 59 -5.944 -1.719 -11.623 436 H SER 60 H SER 60 -9.644 1.186 -12.116 437 HA SER 60 HA SER 60 -9.275 3.620 -13.050 438 1HB SER 60 2HB SER 60 -11.937 3.748 -13.010 439 2HB SER 60 1HB SER 60 -11.103 2.576 -14.011 440 HG SER 60 HG SER 60 -12.818 2.148 -11.903 441 H GLU 61 H GLU 61 -11.005 2.839 -9.961 442 HA GLU 61 HA GLU 61 -10.244 5.420 -8.978 443 1HB GLU 61 2HB GLU 61 -12.928 4.915 -9.965 444 2HB GLU 61 1HB GLU 61 -12.993 5.198 -8.238 445 1HG GLU 61 2HG GLU 61 -12.943 7.414 -8.780 446 2HG GLU 61 1HG GLU 61 -11.225 7.174 -9.027 447 H PHE 62 H PHE 62 -8.919 3.973 -7.637 448 HA PHE 62 HA PHE 62 -10.341 2.170 -5.890 449 1HB PHE 62 2HB PHE 62 -7.919 1.838 -5.071 450 2HB PHE 62 1HB PHE 62 -8.144 1.520 -6.779 451 HD1 PHE 62 1HD PHE 62 -7.030 4.149 -4.403 452 HD2 PHE 62 2HD PHE 62 -6.871 2.664 -8.375 453 HE1 PHE 62 1HE PHE 62 -5.224 5.805 -4.950 454 HE2 PHE 62 2HE PHE 62 -5.065 4.319 -8.922 455 HZ PHE 62 HZ PHE 62 -4.263 5.870 -7.202 456 H ASP 63 H ASP 63 -10.378 2.327 -3.572 457 HA ASP 63 HA ASP 63 -10.889 4.873 -2.649 458 1HB ASP 63 2HB ASP 63 -11.822 2.888 -1.570 459 2HB ASP 63 1HB ASP 63 -10.222 2.276 -1.196 460 H ARG 64 H ARG 64 -9.027 6.250 -3.059 461 HA ARG 64 HA ARG 64 -6.447 5.637 -2.606 462 1HB ARG 64 2HB ARG 64 -8.002 8.237 -2.426 463 2HB ARG 64 1HB ARG 64 -6.291 8.238 -2.049 464 1HG ARG 64 2HG ARG 64 -6.917 6.763 -4.539 465 2HG ARG 64 1HG ARG 64 -7.400 8.447 -4.608 466 1HD ARG 64 2HD ARG 64 -4.612 7.394 -3.924 467 2HD ARG 64 1HD ARG 64 -5.076 8.212 -5.403 468 HE ARG 64 HE ARG 64 -4.638 9.461 -2.768 469 1HH1 ARG 64 2HH2 ARG 64 -5.947 9.841 -6.012 470 2HH1 ARG 64 1HH2 ARG 64 -5.913 11.573 -5.960 471 1HH2 ARG 64 2HH1 ARG 64 -4.593 11.744 -2.699 472 2HH2 ARG 64 1HH1 ARG 64 -5.138 12.663 -4.063 473 H LYS 65 H LYS 65 -8.944 6.742 -0.267 474 HA LYS 65 HA LYS 65 -7.258 7.290 1.874 475 1HB LYS 65 2HB LYS 65 -9.403 8.094 2.135 476 2HB LYS 65 1HB LYS 65 -10.158 6.633 1.532 477 1HG LYS 65 2HG LYS 65 -10.156 5.619 3.595 478 2HG LYS 65 1HG LYS 65 -8.558 6.213 4.001 479 1HD LYS 65 2HD LYS 65 -10.806 8.220 3.870 480 2HD LYS 65 1HD LYS 65 -10.774 7.124 5.237 481 1HE LYS 65 2HE LYS 65 -8.115 7.931 5.101 482 2HE LYS 65 1HE LYS 65 -8.954 9.381 4.587 483 1HZ LYS 65 1HZ LYS 65 -8.870 9.487 6.884 484 2HZ LYS 65 2HZ LYS 65 -10.400 8.999 6.591 485 3HZ LYS 65 3HZ LYS 65 -9.283 7.923 7.101 486 H GLU 66 H GLU 66 -8.472 4.238 0.507 487 HA GLU 66 HA GLU 66 -7.571 2.772 2.796 488 1HB GLU 66 2HB GLU 66 -9.568 1.977 1.672 489 2HB GLU 66 1HB GLU 66 -8.759 1.942 0.118 490 1HG GLU 66 2HG GLU 66 -7.373 0.081 0.756 491 2HG GLU 66 1HG GLU 66 -7.750 0.276 2.456 492 H TRP 67 H TRP 67 -6.378 3.804 -0.360 493 HA TRP 67 HA TRP 67 -4.106 1.971 -0.115 494 1HB TRP 67 2HB TRP 67 -4.911 3.678 -2.472 495 2HB TRP 67 1HB TRP 67 -3.659 2.454 -2.433 496 HD1 TRP 67 HD TRP 67 -7.380 2.831 -2.986 497 HE1 TRP 67 1HE TRP 67 -8.552 0.528 -3.525 498 HE3 TRP 67 3HE TRP 67 -3.402 -0.084 -1.749 499 HZ2 TRP 67 2HZ TRP 67 -7.702 -2.191 -3.377 500 HZ3 TRP 67 3HZ TRP 67 -3.656 -2.552 -1.975 501 HH2 TRP 67 HH TRP 67 -5.714 -3.613 -2.757 502 H ASP 68 H ASP 68 -4.764 4.489 1.521 503 HA ASP 68 HA ASP 68 -2.579 6.168 0.617 504 1HB ASP 68 2HB ASP 68 -4.359 7.605 1.051 505 2HB ASP 68 1HB ASP 68 -5.043 6.558 2.280 506 H THR 69 H THR 69 -3.746 3.986 3.170 507 HA THR 69 HA THR 69 -1.275 4.488 4.697 508 HB THR 69 HB THR 69 -2.925 3.309 6.500 509 HG1 THR 69 1HG THR 69 -5.088 3.843 5.911 510 1HG2 THR 69 1HG2 THR 69 -3.794 6.112 5.989 511 2HG2 THR 69 2HG2 THR 69 -3.091 5.399 7.461 512 3HG2 THR 69 3HG2 THR 69 -2.031 5.912 6.127 513 HA PRO 70 HA PRO 70 -0.157 0.407 3.999 514 1HB PRO 70 2HB PRO 70 1.358 -0.164 6.200 515 2HB PRO 70 1HB PRO 70 1.958 0.760 4.837 516 1HG PRO 70 2HG PRO 70 1.147 1.718 7.514 517 2HG PRO 70 1HG PRO 70 2.129 2.528 6.309 518 1HD PRO 70 2HD PRO 70 -0.621 3.062 6.923 519 2HD PRO 70 1HD PRO 70 0.327 3.789 5.641 520 H ASN 71 H ASN 71 -1.715 1.089 7.023 521 HA ASN 71 HA ASN 71 -2.175 -1.594 7.651 522 1HB ASN 71 2HB ASN 71 -2.876 1.048 8.696 523 2HB ASN 71 1HB ASN 71 -4.284 0.006 8.748 524 1HD2 ASN 71 1HD2 ASN 71 -3.246 0.874 11.058 525 2HD2 ASN 71 2HD2 ASN 71 -2.452 -0.392 11.934 526 H LYS 72 H LYS 72 -4.138 1.041 6.096 527 HA LYS 72 HA LYS 72 -6.457 -0.471 5.729 528 1HB LYS 72 2HB LYS 72 -5.401 2.134 4.927 529 2HB LYS 72 1HB LYS 72 -6.402 1.415 3.681 530 1HG LYS 72 2HG LYS 72 -8.294 1.222 5.146 531 2HG LYS 72 1HG LYS 72 -7.315 1.454 6.582 532 1HD LYS 72 2HD LYS 72 -7.003 3.735 4.784 533 2HD LYS 72 1HD LYS 72 -8.703 3.449 5.096 534 1HE LYS 72 2HE LYS 72 -6.552 3.724 7.251 535 2HE LYS 72 1HE LYS 72 -7.669 4.990 6.783 536 1HZ LYS 72 1HZ LYS 72 -8.731 2.401 7.582 537 2HZ LYS 72 2HZ LYS 72 -8.227 3.442 8.734 538 3HZ LYS 72 3HZ LYS 72 -9.416 3.879 7.703 539 H ILE 73 H ILE 73 -3.385 -0.289 3.959 540 HA ILE 73 HA ILE 73 -4.459 -1.681 1.684 541 HB ILE 73 HB ILE 73 -1.727 -0.713 2.489 542 1HG1 ILE 73 2HG1 ILE 73 -3.599 0.056 0.230 543 2HG1 ILE 73 1HG1 ILE 73 -3.355 0.962 1.709 544 1HG2 ILE 73 1HG2 ILE 73 -0.854 -1.506 0.368 545 2HG2 ILE 73 2HG2 ILE 73 -1.464 -2.871 1.333 546 3HG2 ILE 73 3HG2 ILE 73 -2.422 -2.247 -0.031 547 1HD1 ILE 73 1HD1 ILE 73 -1.957 1.969 0.011 548 2HD1 ILE 73 2HD1 ILE 73 -0.876 1.100 1.126 549 3HD1 ILE 73 3HD1 ILE 73 -1.284 0.388 -0.453 550 H ILE 74 H ILE 74 -2.082 -2.403 4.335 551 HA ILE 74 HA ILE 74 -1.548 -4.991 3.713 552 HB ILE 74 HB ILE 74 -1.624 -3.382 6.198 553 1HG1 ILE 74 2HG1 ILE 74 0.524 -5.145 4.988 554 2HG1 ILE 74 1HG1 ILE 74 0.295 -3.455 4.583 555 1HG2 ILE 74 1HG2 ILE 74 -2.608 -5.340 7.112 556 2HG2 ILE 74 2HG2 ILE 74 -1.510 -6.404 6.200 557 3HG2 ILE 74 3HG2 ILE 74 -0.877 -5.393 7.522 558 1HD1 ILE 74 1HD1 ILE 74 0.410 -3.063 7.189 559 2HD1 ILE 74 2HD1 ILE 74 1.170 -4.672 7.213 560 3HD1 ILE 74 3HD1 ILE 74 1.917 -3.349 6.287 561 H ALA 75 H ALA 75 -4.562 -3.595 4.905 562 HA ALA 75 HA ALA 75 -5.640 -6.146 5.680 563 1HB ALA 75 1HB ALA 75 -6.604 -4.502 6.960 564 2HB ALA 75 2HB ALA 75 -6.480 -3.277 5.675 565 3HB ALA 75 3HB ALA 75 -7.773 -4.498 5.618 566 H LYS 76 H LYS 76 -5.803 -3.866 2.901 567 HA LYS 76 HA LYS 76 -7.857 -5.208 1.550 568 1HB LYS 76 2HB LYS 76 -6.846 -2.836 1.215 569 2HB LYS 76 1HB LYS 76 -5.677 -3.636 0.185 570 1HG LYS 76 2HG LYS 76 -7.597 -2.831 -1.149 571 2HG LYS 76 1HG LYS 76 -7.503 -4.580 -1.206 572 1HD LYS 76 2HD LYS 76 -9.345 -4.855 0.288 573 2HD LYS 76 1HD LYS 76 -9.227 -3.212 0.888 574 1HE LYS 76 2HE LYS 76 -10.247 -2.285 -1.025 575 2HE LYS 76 1HE LYS 76 -9.789 -3.629 -2.053 576 1HZ LYS 76 1HZ LYS 76 -12.190 -3.350 -1.022 577 2HZ LYS 76 2HZ LYS 76 -11.559 -4.806 -1.403 578 3HZ LYS 76 3HZ LYS 76 -11.528 -4.282 0.143 579 H VAL 77 H VAL 77 -4.313 -5.665 1.722 580 HA VAL 77 HA VAL 77 -4.195 -7.486 -0.438 581 HB VAL 77 HB VAL 77 -2.347 -7.121 1.929 582 1HG1 VAL 77 1HG1 VAL 77 -2.206 -9.200 0.311 583 2HG1 VAL 77 2HG1 VAL 77 -1.455 -8.022 -0.792 584 3HG1 VAL 77 3HG1 VAL 77 -0.735 -8.331 0.806 585 1HG2 VAL 77 1HG2 VAL 77 -2.916 -5.048 0.518 586 2HG2 VAL 77 2HG2 VAL 77 -1.195 -5.454 0.729 587 3HG2 VAL 77 3HG2 VAL 77 -2.023 -5.851 -0.796 588 H GLU 78 H GLU 78 -4.653 -7.787 3.121 589 HA GLU 78 HA GLU 78 -4.531 -10.596 3.059 590 1HB GLU 78 2HB GLU 78 -5.549 -8.588 5.105 591 2HB GLU 78 1HB GLU 78 -5.616 -10.315 5.392 592 1HG GLU 78 2HG GLU 78 -3.069 -8.768 4.718 593 2HG GLU 78 1HG GLU 78 -3.547 -9.241 6.336 594 H GLN 79 H GLN 79 -7.058 -8.168 2.536 595 HA GLN 79 HA GLN 79 -9.114 -10.173 2.740 596 1HB GLN 79 2HB GLN 79 -8.976 -7.230 2.756 597 2HB GLN 79 1HB GLN 79 -10.284 -7.824 1.753 598 1HG GLN 79 2HG GLN 79 -11.479 -8.597 3.548 599 2HG GLN 79 1HG GLN 79 -10.062 -9.276 4.324 600 1HE2 GLN 79 1HE2 GLN 79 -8.879 -8.102 5.768 601 2HE2 GLN 79 2HE2 GLN 79 -9.377 -6.578 6.425 602 H ALA 80 H ALA 80 -6.907 -10.209 0.630 603 HA ALA 80 HA ALA 80 -8.671 -10.103 -1.722 604 1HB ALA 80 1HB ALA 80 -5.959 -9.074 -1.202 605 2HB ALA 80 2HB ALA 80 -6.075 -10.057 -2.681 606 3HB ALA 80 3HB ALA 80 -7.123 -8.634 -2.473 607 H GLN 81 H GLN 81 -5.981 -11.798 -0.012 608 HA GLN 81 HA GLN 81 -5.505 -13.834 -1.654 609 1HB GLN 81 2HB GLN 81 -5.846 -13.929 1.374 610 2HB GLN 81 1HB GLN 81 -5.119 -15.226 0.444 611 1HG GLN 81 2HG GLN 81 -4.107 -12.366 0.738 612 2HG GLN 81 1HG GLN 81 -3.313 -13.837 1.266 613 1HE2 GLN 81 1HE2 GLN 81 -4.186 -11.822 -1.437 614 2HE2 GLN 81 2HE2 GLN 81 -3.134 -12.519 -2.624 Start of MODEL 8 1 H ALA 2 H ALA 2 4.217 -19.742 2.120 2 HA ALA 2 HA ALA 2 1.655 -19.646 1.976 3 1HB ALA 2 1HB ALA 2 2.644 -20.097 4.780 4 2HB ALA 2 2HB ALA 2 1.542 -21.085 3.790 5 3HB ALA 2 3HB ALA 2 3.292 -21.111 3.469 6 H ASP 3 H ASP 3 3.113 -18.094 4.928 7 HA ASP 3 HA ASP 3 1.254 -15.917 4.544 8 1HB ASP 3 2HB ASP 3 1.519 -16.885 7.360 9 2HB ASP 3 1HB ASP 3 0.135 -16.170 6.558 10 H GLU 4 H GLU 4 1.901 -14.002 5.962 11 HA GLU 4 HA GLU 4 3.306 -12.830 7.218 12 1HB GLU 4 2HB GLU 4 4.229 -15.274 7.945 13 2HB GLU 4 1HB GLU 4 5.625 -14.725 7.038 14 1HG GLU 4 2HG GLU 4 6.265 -13.427 8.779 15 2HG GLU 4 1HG GLU 4 4.769 -12.519 8.669 16 H ALA 5 H ALA 5 4.391 -14.626 4.336 17 HA ALA 5 HA ALA 5 6.431 -12.778 3.633 18 1HB ALA 5 1HB ALA 5 4.941 -14.697 1.809 19 2HB ALA 5 2HB ALA 5 6.607 -14.091 1.642 20 3HB ALA 5 3HB ALA 5 6.202 -15.230 2.948 21 H ILE 6 H ILE 6 3.093 -12.451 3.844 22 HA ILE 6 HA ILE 6 2.940 -10.719 1.494 23 HB ILE 6 HB ILE 6 0.985 -12.224 3.154 24 1HG1 ILE 6 2HG1 ILE 6 1.111 -11.640 0.181 25 2HG1 ILE 6 1HG1 ILE 6 1.865 -13.024 0.949 26 1HG2 ILE 6 1HG2 ILE 6 0.564 -9.461 2.217 27 2HG2 ILE 6 2HG2 ILE 6 -0.695 -10.621 1.728 28 3HG2 ILE 6 3HG2 ILE 6 -0.301 -10.409 3.452 29 1HD1 ILE 6 1HD1 ILE 6 -0.419 -13.656 1.887 30 2HD1 ILE 6 2HD1 ILE 6 -1.111 -12.361 0.882 31 3HD1 ILE 6 3HD1 ILE 6 -0.294 -13.742 0.114 32 H LYS 7 H LYS 7 2.307 -10.756 5.065 33 HA LYS 7 HA LYS 7 1.731 -8.027 5.233 34 1HB LYS 7 2HB LYS 7 1.674 -10.205 6.928 35 2HB LYS 7 1HB LYS 7 2.974 -9.244 7.605 36 1HG LYS 7 2HG LYS 7 0.973 -7.352 6.969 37 2HG LYS 7 1HG LYS 7 0.082 -8.721 7.602 38 1HD LYS 7 2HD LYS 7 1.983 -8.681 9.489 39 2HD LYS 7 1HD LYS 7 2.166 -7.016 8.974 40 1HE LYS 7 2HE LYS 7 0.355 -6.441 10.210 41 2HE LYS 7 1HE LYS 7 -0.650 -7.469 9.209 42 1HZ LYS 7 1HZ LYS 7 -0.130 -7.872 11.804 43 2HZ LYS 7 2HZ LYS 7 -0.701 -9.009 10.780 44 3HZ LYS 7 3HZ LYS 7 0.899 -8.926 11.099 45 H ASN 8 H ASN 8 4.769 -9.858 5.063 46 HA ASN 8 HA ASN 8 6.317 -7.644 5.937 47 1HB ASN 8 2HB ASN 8 6.726 -10.439 5.480 48 2HB ASN 8 1HB ASN 8 7.814 -9.621 4.378 49 1HD2 ASN 8 1HD2 ASN 8 8.555 -11.194 6.606 50 2HD2 ASN 8 2HD2 ASN 8 9.408 -10.202 7.742 51 H GLY 9 H GLY 9 5.883 -9.493 2.820 52 1HA GLY 9 2HA GLY 9 7.407 -7.922 1.147 53 2HA GLY 9 1HA GLY 9 6.000 -8.851 0.669 54 H VAL 10 H VAL 10 3.905 -7.564 2.046 55 HA VAL 10 HA VAL 10 3.318 -5.468 0.358 56 HB VAL 10 HB VAL 10 2.279 -6.459 2.983 57 1HG1 VAL 10 1HG1 VAL 10 1.904 -4.168 3.358 58 2HG1 VAL 10 2HG1 VAL 10 1.526 -3.855 1.647 59 3HG1 VAL 10 3HG1 VAL 10 0.374 -4.756 2.663 60 1HG2 VAL 10 1HG2 VAL 10 1.810 -7.100 0.320 61 2HG2 VAL 10 2HG2 VAL 10 0.791 -7.545 1.708 62 3HG2 VAL 10 3HG2 VAL 10 0.416 -6.086 0.761 63 H LEU 11 H LEU 11 4.898 -5.496 3.588 64 HA LEU 11 HA LEU 11 4.936 -2.648 3.755 65 1HB LEU 11 2HB LEU 11 5.002 -4.537 5.592 66 2HB LEU 11 1HB LEU 11 6.734 -4.425 5.348 67 HG LEU 11 HG LEU 11 6.807 -2.164 6.068 68 1HD1 LEU 11 1HD1 LEU 11 5.076 -0.993 5.132 69 2HD1 LEU 11 2HD1 LEU 11 3.856 -2.208 5.581 70 3HD1 LEU 11 3HD1 LEU 11 4.510 -1.107 6.816 71 1HD2 LEU 11 1HD2 LEU 11 4.915 -2.782 8.156 72 2HD2 LEU 11 2HD2 LEU 11 5.845 -4.234 7.712 73 3HD2 LEU 11 3HD2 LEU 11 6.694 -2.750 8.205 74 H ASP 12 H ASP 12 7.331 -5.244 2.956 75 HA ASP 12 HA ASP 12 9.494 -3.618 2.640 76 1HB ASP 12 2HB ASP 12 9.019 -6.279 2.358 77 2HB ASP 12 1HB ASP 12 9.092 -5.849 0.661 78 H ILE 13 H ILE 13 6.792 -4.457 0.406 79 HA ILE 13 HA ILE 13 7.961 -3.122 -1.831 80 HB ILE 13 HB ILE 13 5.483 -4.615 -1.213 81 1HG1 ILE 13 2HG1 ILE 13 6.729 -4.752 -3.881 82 2HG1 ILE 13 1HG1 ILE 13 7.822 -5.134 -2.565 83 1HG2 ILE 13 1HG2 ILE 13 4.321 -3.852 -3.214 84 2HG2 ILE 13 2HG2 ILE 13 4.560 -2.510 -2.071 85 3HG2 ILE 13 3HG2 ILE 13 5.593 -2.644 -3.514 86 1HD1 ILE 13 1HD1 ILE 13 6.795 -7.212 -3.131 87 2HD1 ILE 13 2HD1 ILE 13 5.952 -6.680 -1.656 88 3HD1 ILE 13 3HD1 ILE 13 5.179 -6.474 -3.246 89 H LEU 14 H LEU 14 6.249 -2.169 1.031 90 HA LEU 14 HA LEU 14 5.082 0.176 -0.131 91 1HB LEU 14 2HB LEU 14 4.854 -1.325 2.274 92 2HB LEU 14 1HB LEU 14 5.283 0.317 2.713 93 HG LEU 14 HG LEU 14 2.818 -0.205 2.629 94 1HD1 LEU 14 1HD1 LEU 14 2.275 1.933 1.316 95 2HD1 LEU 14 2HD1 LEU 14 3.368 2.065 2.715 96 3HD1 LEU 14 3HD1 LEU 14 4.031 2.067 1.063 97 1HD2 LEU 14 1HD2 LEU 14 1.665 -0.525 0.630 98 2HD2 LEU 14 2HD2 LEU 14 3.034 0.022 -0.366 99 3HD2 LEU 14 3HD2 LEU 14 3.104 -1.557 0.453 100 H ALA 15 H ALA 15 7.747 -0.443 2.266 101 HA ALA 15 HA ALA 15 8.644 2.220 2.211 102 1HB ALA 15 1HB ALA 15 10.664 0.189 2.860 103 2HB ALA 15 2HB ALA 15 9.961 1.466 3.883 104 3HB ALA 15 3HB ALA 15 9.115 -0.089 3.694 105 H ASP 16 H ASP 16 9.014 -0.500 0.034 106 HA ASP 16 HA ASP 16 11.458 0.344 -1.072 107 1HB ASP 16 2HB ASP 16 9.280 -1.610 -1.786 108 2HB ASP 16 1HB ASP 16 10.382 -1.141 -3.066 109 H LEU 17 H LEU 17 7.945 0.709 -1.863 110 HA LEU 17 HA LEU 17 8.297 1.995 -4.323 111 1HB LEU 17 2HB LEU 17 6.213 0.961 -2.944 112 2HB LEU 17 1HB LEU 17 5.933 2.671 -2.680 113 HG LEU 17 HG LEU 17 6.383 1.571 -5.453 114 1HD1 LEU 17 1HD1 LEU 17 3.843 1.588 -5.631 115 2HD1 LEU 17 2HD1 LEU 17 4.580 0.241 -4.730 116 3HD1 LEU 17 3HD1 LEU 17 3.824 1.592 -3.851 117 1HD2 LEU 17 1HD2 LEU 17 5.915 3.628 -6.185 118 2HD2 LEU 17 2HD2 LEU 17 4.545 3.817 -5.065 119 3HD2 LEU 17 3HD2 LEU 17 6.202 4.150 -4.508 120 H THR 18 H THR 18 7.607 3.344 -1.019 121 HA THR 18 HA THR 18 7.857 6.021 -1.815 122 HB THR 18 HB THR 18 7.788 6.429 0.585 123 HG1 THR 18 1HG THR 18 8.651 3.622 0.596 124 1HG2 THR 18 1HG2 THR 18 5.971 4.621 -0.617 125 2HG2 THR 18 2HG2 THR 18 6.469 3.819 0.893 126 3HG2 THR 18 3HG2 THR 18 5.752 5.447 0.945 127 H GLY 19 H GLY 19 10.254 3.535 -1.124 128 1HA GLY 19 2HA GLY 19 12.475 3.613 -1.615 129 2HA GLY 19 1HA GLY 19 12.341 5.313 -2.019 130 H SER 20 H SER 20 10.816 4.708 0.989 131 HA SER 20 HA SER 20 13.292 5.170 2.432 132 1HB SER 20 2HB SER 20 11.480 7.219 1.900 133 2HB SER 20 1HB SER 20 10.983 6.686 3.494 134 HG SER 20 HG SER 20 13.680 6.799 3.528 135 H ASP 21 H ASP 21 12.813 4.969 4.939 136 HA ASP 21 HA ASP 21 10.941 2.753 5.208 137 1HB ASP 21 2HB ASP 21 13.680 3.246 6.154 138 2HB ASP 21 1HB ASP 21 12.618 2.847 7.490 139 H ASP 22 H ASP 22 9.151 4.325 5.600 140 HA ASP 22 HA ASP 22 9.372 5.509 8.253 141 1HB ASP 22 2HB ASP 22 9.060 6.901 5.848 142 2HB ASP 22 1HB ASP 22 7.409 6.757 6.417 143 H VAL 23 H VAL 23 7.273 4.214 5.599 144 HA VAL 23 HA VAL 23 5.005 3.941 7.332 145 HB VAL 23 HB VAL 23 3.907 3.069 5.409 146 1HG1 VAL 23 1HG1 VAL 23 3.837 5.265 4.911 147 2HG1 VAL 23 2HG1 VAL 23 5.582 5.485 5.184 148 3HG1 VAL 23 3HG1 VAL 23 4.998 4.845 3.630 149 1HG2 VAL 23 1HG2 VAL 23 5.484 2.895 3.250 150 2HG2 VAL 23 2HG2 VAL 23 6.679 2.453 4.494 151 3HG2 VAL 23 3HG2 VAL 23 5.178 1.511 4.327 152 H LYS 24 H LYS 24 7.923 2.216 6.789 153 HA LYS 24 HA LYS 24 6.971 -0.416 7.039 154 1HB LYS 24 2HB LYS 24 9.149 0.022 6.122 155 2HB LYS 24 1HB LYS 24 9.667 0.855 7.575 156 1HG LYS 24 2HG LYS 24 8.659 -1.945 7.951 157 2HG LYS 24 1HG LYS 24 10.179 -1.784 7.095 158 1HD LYS 24 2HD LYS 24 11.223 -0.636 8.943 159 2HD LYS 24 1HD LYS 24 9.685 -0.345 9.733 160 1HE LYS 24 2HE LYS 24 10.450 -3.212 9.196 161 2HE LYS 24 1HE LYS 24 11.310 -2.372 10.470 162 1HZ LYS 24 1HZ LYS 24 8.732 -3.401 10.534 163 2HZ LYS 24 2HZ LYS 24 9.564 -2.686 11.744 164 3HZ LYS 24 3HZ LYS 24 8.626 -1.786 10.754 165 H LYS 25 H LYS 25 7.811 2.158 9.379 166 HA LYS 25 HA LYS 25 7.298 0.296 11.565 167 1HB LYS 25 2HB LYS 25 8.267 1.973 12.994 168 2HB LYS 25 1HB LYS 25 9.331 1.705 11.629 169 1HG LYS 25 2HG LYS 25 9.281 4.038 11.662 170 2HG LYS 25 1HG LYS 25 7.981 3.716 10.532 171 1HD LYS 25 2HD LYS 25 6.715 5.029 11.906 172 2HD LYS 25 1HD LYS 25 6.615 3.610 12.929 173 1HE LYS 25 2HE LYS 25 7.592 4.854 14.563 174 2HE LYS 25 1HE LYS 25 9.083 4.725 13.652 175 1HZ LYS 25 1HZ LYS 25 7.660 7.000 14.152 176 2HZ LYS 25 2HZ LYS 25 8.955 6.855 13.168 177 3HZ LYS 25 3HZ LYS 25 7.446 6.723 12.558 178 H ASN 26 H ASN 26 6.121 3.380 10.104 179 HA ASN 26 HA ASN 26 4.040 3.607 11.996 180 1HB ASN 26 2HB ASN 26 5.222 5.327 10.197 181 2HB ASN 26 1HB ASN 26 3.759 4.932 9.315 182 1HD2 ASN 26 1HD2 ASN 26 5.162 6.635 11.920 183 2HD2 ASN 26 2HD2 ASN 26 3.740 7.386 12.566 184 H LEU 27 H LEU 27 1.768 3.118 11.653 185 HA LEU 27 HA LEU 27 1.233 1.508 9.254 186 1HB LEU 27 2HB LEU 27 0.227 1.062 12.069 187 2HB LEU 27 1HB LEU 27 -0.300 0.173 10.653 188 HG LEU 27 HG LEU 27 2.625 0.218 11.294 189 1HD1 LEU 27 1HD1 LEU 27 0.921 -0.382 13.326 190 2HD1 LEU 27 2HD1 LEU 27 1.120 -1.979 12.565 191 3HD1 LEU 27 3HD1 LEU 27 2.548 -1.076 13.129 192 1HD2 LEU 27 1HD2 LEU 27 0.781 -1.899 10.152 193 2HD2 LEU 27 2HD2 LEU 27 1.856 -0.826 9.224 194 3HD2 LEU 27 3HD2 LEU 27 2.547 -2.032 10.337 195 H ASP 28 H ASP 28 0.959 4.436 9.700 196 HA ASP 28 HA ASP 28 -1.694 4.615 8.760 197 1HB ASP 28 2HB ASP 28 -1.311 4.900 11.575 198 2HB ASP 28 1HB ASP 28 -1.525 6.528 10.962 199 H LEU 29 H LEU 29 1.131 5.229 8.001 200 HA LEU 29 HA LEU 29 1.297 8.117 8.181 201 1HB LEU 29 2HB LEU 29 3.270 6.720 8.579 202 2HB LEU 29 1HB LEU 29 3.150 6.069 6.956 203 HG LEU 29 HG LEU 29 3.308 8.630 6.272 204 1HD1 LEU 29 1HD1 LEU 29 4.708 9.942 7.732 205 2HD1 LEU 29 2HD1 LEU 29 3.257 9.421 8.622 206 3HD1 LEU 29 3HD1 LEU 29 4.814 8.603 8.900 207 1HD2 LEU 29 1HD2 LEU 29 4.940 7.374 5.319 208 2HD2 LEU 29 2HD2 LEU 29 5.941 8.236 6.512 209 3HD2 LEU 29 3HD2 LEU 29 5.384 6.579 6.849 210 H ASN 30 H ASN 30 -0.271 9.048 6.900 211 HA ASN 30 HA ASN 30 -1.440 8.173 4.724 212 1HB ASN 30 2HB ASN 30 -0.302 11.008 4.780 213 2HB ASN 30 1HB ASN 30 -1.815 10.487 4.066 214 1HD2 ASN 30 1HD2 ASN 30 -3.144 9.098 5.782 215 2HD2 ASN 30 2HD2 ASN 30 -3.431 9.907 7.286 216 H LEU 31 H LEU 31 -0.686 7.320 2.781 217 HA LEU 31 HA LEU 31 2.044 7.810 2.015 218 1HB LEU 31 2HB LEU 31 -0.153 6.102 0.843 219 2HB LEU 31 1HB LEU 31 1.467 6.203 0.185 220 HG LEU 31 HG LEU 31 0.994 5.387 3.051 221 1HD1 LEU 31 1HD1 LEU 31 -0.370 3.931 1.585 222 2HD1 LEU 31 2HD1 LEU 31 1.102 3.506 0.678 223 3HD1 LEU 31 3HD1 LEU 31 0.956 3.063 2.396 224 1HD2 LEU 31 1HD2 LEU 31 3.296 5.598 1.252 225 2HD2 LEU 31 2HD2 LEU 31 3.223 5.531 3.028 226 3HD2 LEU 31 3HD2 LEU 31 3.179 4.026 2.078 227 H PHE 32 H PHE 32 -0.610 9.702 1.836 228 HA PHE 32 HA PHE 32 0.196 10.735 -0.790 229 1HB PHE 32 2HB PHE 32 -2.474 10.121 0.509 230 2HB PHE 32 1HB PHE 32 -2.407 11.576 -0.466 231 HD1 PHE 32 1HD PHE 32 -1.565 7.947 -0.645 232 HD2 PHE 32 2HD PHE 32 -2.791 11.424 -2.746 233 HE1 PHE 32 1HE PHE 32 -1.909 6.573 -2.717 234 HE2 PHE 32 2HE PHE 32 -3.134 10.050 -4.819 235 HZ PHE 32 HZ PHE 32 -2.689 7.641 -4.779 236 H GLU 33 H GLU 33 -1.150 11.402 2.490 237 HA GLU 33 HA GLU 33 -0.973 14.201 2.123 238 1HB GLU 33 2HB GLU 33 -2.288 12.514 3.891 239 2HB GLU 33 1HB GLU 33 -1.028 13.186 4.908 240 1HG GLU 33 2HG GLU 33 -2.223 15.278 3.242 241 2HG GLU 33 1HG GLU 33 -3.464 14.434 4.148 242 H THR 34 H THR 34 1.315 11.723 2.709 243 HA THR 34 HA THR 34 3.120 13.527 4.152 244 HB THR 34 HB THR 34 3.318 10.538 3.503 245 HG1 THR 34 1HG THR 34 2.520 12.142 5.832 246 1HG2 THR 34 1HG2 THR 34 5.137 10.456 4.992 247 2HG2 THR 34 2HG2 THR 34 5.422 12.042 4.235 248 3HG2 THR 34 3HG2 THR 34 4.642 11.945 5.832 249 H GLY 35 H GLY 35 2.314 12.518 0.974 250 1HA GLY 35 2HA GLY 35 3.258 13.316 -0.952 251 2HA GLY 35 1HA GLY 35 4.648 13.894 -0.055 252 H LEU 36 H LEU 36 4.183 10.799 1.096 253 HA LEU 36 HA LEU 36 6.462 9.785 -0.133 254 1HB LEU 36 2HB LEU 36 4.216 8.564 1.448 255 2HB LEU 36 1HB LEU 36 5.499 7.573 0.783 256 HG LEU 36 HG LEU 36 5.590 8.538 3.249 257 1HD1 LEU 36 1HD1 LEU 36 7.928 8.274 1.347 258 2HD1 LEU 36 2HD1 LEU 36 8.096 8.431 3.112 259 3HD1 LEU 36 3HD1 LEU 36 7.240 7.032 2.420 260 1HD2 LEU 36 1HD2 LEU 36 5.395 10.886 2.614 261 2HD2 LEU 36 2HD2 LEU 36 6.954 10.565 3.409 262 3HD2 LEU 36 3HD2 LEU 36 6.880 10.760 1.641 263 H LEU 37 H LEU 37 2.957 9.407 -0.887 264 HA LEU 37 HA LEU 37 3.803 8.262 -3.456 265 1HB LEU 37 2HB LEU 37 2.497 6.873 -1.504 266 2HB LEU 37 1HB LEU 37 1.151 7.487 -2.444 267 HG LEU 37 HG LEU 37 1.604 5.373 -3.341 268 1HD1 LEU 37 1HD1 LEU 37 3.200 7.075 -5.246 269 2HD1 LEU 37 2HD1 LEU 37 2.025 5.784 -5.596 270 3HD1 LEU 37 3HD1 LEU 37 1.462 7.356 -4.980 271 1HD2 LEU 37 1HD2 LEU 37 3.549 4.309 -3.191 272 2HD2 LEU 37 2HD2 LEU 37 4.394 5.576 -4.112 273 3HD2 LEU 37 3HD2 LEU 37 4.185 5.744 -2.352 274 H ASP 38 H ASP 38 2.579 8.917 -5.300 275 HA ASP 38 HA ASP 38 1.064 11.342 -4.751 276 1HB ASP 38 2HB ASP 38 3.094 10.609 -6.725 277 2HB ASP 38 1HB ASP 38 1.634 11.136 -7.536 278 H SER 39 H SER 39 1.350 8.646 -7.202 279 HA SER 39 HA SER 39 -1.231 7.753 -6.872 280 1HB SER 39 2HB SER 39 -1.971 9.888 -7.825 281 2HB SER 39 1HB SER 39 -0.891 9.702 -9.192 282 HG SER 39 HG SER 39 -2.775 7.615 -8.705 283 H MET 40 H MET 40 1.144 8.528 -9.520 284 HA MET 40 HA MET 40 0.749 6.305 -11.027 285 1HB MET 40 2HB MET 40 2.533 8.477 -10.936 286 2HB MET 40 1HB MET 40 3.605 7.103 -10.742 287 1HG MET 40 2HG MET 40 1.500 6.963 -12.905 288 2HG MET 40 1HG MET 40 2.893 7.991 -13.178 289 1HE MET 40 1HE MET 40 2.663 4.358 -14.808 290 2HE MET 40 2HE MET 40 2.043 3.830 -13.225 291 3HE MET 40 3HE MET 40 1.379 5.289 -13.999 292 H GLY 41 H GLY 41 2.497 6.648 -7.950 293 1HA GLY 41 2HA GLY 41 3.975 4.229 -8.099 294 2HA GLY 41 1HA GLY 41 3.621 5.175 -6.667 295 H THR 42 H THR 42 0.705 5.141 -6.873 296 HA THR 42 HA THR 42 0.194 2.725 -5.538 297 HB THR 42 HB THR 42 -1.135 5.223 -6.236 298 HG1 THR 42 1HG THR 42 -1.039 4.627 -4.071 299 1HG2 THR 42 1HG2 THR 42 -3.467 4.306 -6.231 300 2HG2 THR 42 2HG2 THR 42 -2.595 3.834 -7.709 301 3HG2 THR 42 3HG2 THR 42 -2.809 2.661 -6.389 302 H VAL 43 H VAL 43 0.303 3.537 -8.943 303 HA VAL 43 HA VAL 43 -1.428 1.458 -9.793 304 HB VAL 43 HB VAL 43 0.720 3.059 -11.192 305 1HG1 VAL 43 1HG1 VAL 43 -0.209 0.679 -12.108 306 2HG1 VAL 43 2HG1 VAL 43 -1.434 1.781 -12.781 307 3HG1 VAL 43 3HG1 VAL 43 0.287 2.026 -13.161 308 1HG2 VAL 43 1HG2 VAL 43 -2.267 3.363 -11.513 309 2HG2 VAL 43 2HG2 VAL 43 -1.383 4.199 -10.214 310 3HG2 VAL 43 3HG2 VAL 43 -0.970 4.513 -11.917 311 H GLN 44 H GLN 44 2.186 1.836 -9.710 312 HA GLN 44 HA GLN 44 2.716 -0.708 -10.613 313 1HB GLN 44 2HB GLN 44 4.328 1.250 -10.390 314 2HB GLN 44 1HB GLN 44 4.422 0.910 -8.673 315 1HG GLN 44 2HG GLN 44 5.641 -1.044 -8.975 316 2HG GLN 44 1HG GLN 44 4.864 -1.428 -10.498 317 1HE2 GLN 44 1HE2 GLN 44 7.006 -1.908 -11.231 318 2HE2 GLN 44 2HE2 GLN 44 8.050 -0.654 -11.814 319 H LEU 45 H LEU 45 2.479 0.568 -7.222 320 HA LEU 45 HA LEU 45 3.123 -1.697 -5.855 321 1HB LEU 45 2HB LEU 45 2.715 -0.296 -4.214 322 2HB LEU 45 1HB LEU 45 1.943 0.813 -5.329 323 HG LEU 45 HG LEU 45 -0.216 -0.425 -4.972 324 1HD1 LEU 45 1HD1 LEU 45 1.385 -2.369 -3.834 325 2HD1 LEU 45 2HD1 LEU 45 0.612 -1.598 -2.427 326 3HD1 LEU 45 3HD1 LEU 45 -0.389 -2.273 -3.735 327 1HD2 LEU 45 1HD2 LEU 45 -0.085 0.365 -2.327 328 2HD2 LEU 45 2HD2 LEU 45 1.197 1.323 -3.105 329 3HD2 LEU 45 3HD2 LEU 45 -0.472 1.403 -3.720 330 H LEU 46 H LEU 46 0.082 -0.892 -7.565 331 HA LEU 46 HA LEU 46 -1.388 -3.052 -6.507 332 1HB LEU 46 2HB LEU 46 -1.704 -0.962 -8.530 333 2HB LEU 46 1HB LEU 46 -2.495 -2.464 -8.965 334 HG LEU 46 HG LEU 46 -2.928 -1.003 -6.345 335 1HD1 LEU 46 1HD1 LEU 46 -4.651 0.172 -7.220 336 2HD1 LEU 46 2HD1 LEU 46 -3.706 -0.009 -8.718 337 3HD1 LEU 46 3HD1 LEU 46 -5.074 -1.099 -8.392 338 1HD2 LEU 46 1HD2 LEU 46 -4.738 -3.104 -7.510 339 2HD2 LEU 46 2HD2 LEU 46 -3.313 -3.557 -6.543 340 3HD2 LEU 46 3HD2 LEU 46 -4.587 -2.540 -5.829 341 H LEU 47 H LEU 47 0.875 -2.654 -9.242 342 HA LEU 47 HA LEU 47 0.236 -5.049 -10.542 343 1HB LEU 47 2HB LEU 47 1.834 -2.891 -11.024 344 2HB LEU 47 1HB LEU 47 3.028 -4.122 -10.666 345 HG LEU 47 HG LEU 47 2.552 -3.906 -13.075 346 1HD1 LEU 47 1HD1 LEU 47 2.879 -6.107 -13.470 347 2HD1 LEU 47 2HD1 LEU 47 3.028 -6.166 -11.697 348 3HD1 LEU 47 3HD1 LEU 47 1.491 -6.611 -12.478 349 1HD2 LEU 47 1HD2 LEU 47 -0.077 -5.253 -12.884 350 2HD2 LEU 47 2HD2 LEU 47 -0.041 -3.538 -12.406 351 3HD2 LEU 47 3HD2 LEU 47 0.512 -4.023 -14.028 352 H GLU 48 H GLU 48 2.400 -4.242 -7.799 353 HA GLU 48 HA GLU 48 3.496 -6.860 -7.756 354 1HB GLU 48 2HB GLU 48 3.986 -4.310 -6.471 355 2HB GLU 48 1HB GLU 48 3.894 -5.554 -5.241 356 1HG GLU 48 2HG GLU 48 6.077 -5.969 -5.773 357 2HG GLU 48 1HG GLU 48 5.420 -6.839 -7.146 358 H LEU 49 H LEU 49 0.697 -5.203 -6.390 359 HA LEU 49 HA LEU 49 0.288 -7.213 -4.363 360 1HB LEU 49 2HB LEU 49 -1.039 -4.672 -5.199 361 2HB LEU 49 1HB LEU 49 -1.960 -5.837 -4.268 362 HG LEU 49 HG LEU 49 0.513 -4.315 -3.457 363 1HD1 LEU 49 1HD1 LEU 49 -2.029 -4.678 -1.882 364 2HD1 LEU 49 2HD1 LEU 49 -0.802 -3.394 -1.768 365 3HD1 LEU 49 3HD1 LEU 49 -1.899 -3.455 -3.169 366 1HD2 LEU 49 1HD2 LEU 49 -0.544 -6.881 -2.280 367 2HD2 LEU 49 2HD2 LEU 49 1.126 -6.448 -2.723 368 3HD2 LEU 49 3HD2 LEU 49 0.357 -5.699 -1.302 369 H GLN 50 H GLN 50 -0.160 -6.965 -7.725 370 HA GLN 50 HA GLN 50 -2.385 -8.845 -7.575 371 1HB GLN 50 2HB GLN 50 -2.814 -6.698 -8.821 372 2HB GLN 50 1HB GLN 50 -1.532 -7.117 -9.940 373 1HG GLN 50 2HG GLN 50 -2.728 -9.008 -10.794 374 2HG GLN 50 1HG GLN 50 -3.824 -9.046 -9.428 375 1HE2 GLN 50 1HE2 GLN 50 -5.644 -8.952 -10.686 376 2HE2 GLN 50 2HE2 GLN 50 -6.167 -7.530 -11.526 377 H SER 51 H SER 51 0.728 -9.130 -7.384 378 HA SER 51 HA SER 51 0.895 -11.125 -9.506 379 1HB SER 51 2HB SER 51 2.720 -8.945 -8.782 380 2HB SER 51 1HB SER 51 3.535 -10.496 -8.736 381 HG SER 51 HG SER 51 2.085 -9.344 -10.960 382 H GLN 52 H GLN 52 2.339 -10.134 -6.310 383 HA GLN 52 HA GLN 52 2.879 -12.885 -5.729 384 1HB GLN 52 2HB GLN 52 3.305 -10.329 -4.122 385 2HB GLN 52 1HB GLN 52 3.801 -11.918 -3.573 386 1HG GLN 52 2HG GLN 52 4.685 -11.144 -6.333 387 2HG GLN 52 1HG GLN 52 5.420 -10.256 -5.013 388 1HE2 GLN 52 1HE2 GLN 52 7.074 -11.109 -3.989 389 2HE2 GLN 52 2HE2 GLN 52 7.603 -12.756 -4.058 390 H PHE 53 H PHE 53 0.360 -10.515 -5.170 391 HA PHE 53 HA PHE 53 -0.855 -12.342 -3.217 392 1HB PHE 53 2HB PHE 53 -1.501 -9.381 -3.648 393 2HB PHE 53 1HB PHE 53 -1.828 -10.341 -2.219 394 HD1 PHE 53 1HD PHE 53 1.021 -9.027 -4.229 395 HD2 PHE 53 2HD PHE 53 -0.384 -10.218 -0.407 396 HE1 PHE 53 1HE PHE 53 3.154 -8.208 -3.190 397 HE2 PHE 53 2HE PHE 53 1.750 -9.399 0.633 398 HZ PHE 53 HZ PHE 53 3.494 -8.404 -0.772 399 H GLY 54 H GLY 54 -1.011 -10.913 -6.366 400 1HA GLY 54 2HA GLY 54 -2.616 -10.809 -7.946 401 2HA GLY 54 1HA GLY 54 -3.113 -12.363 -7.306 402 H VAL 55 H VAL 55 -3.232 -9.031 -5.862 403 HA VAL 55 HA VAL 55 -5.888 -9.521 -4.925 404 HB VAL 55 HB VAL 55 -3.981 -8.185 -3.837 405 1HG1 VAL 55 1HG1 VAL 55 -3.451 -6.748 -5.750 406 2HG1 VAL 55 2HG1 VAL 55 -5.087 -6.046 -5.690 407 3HG1 VAL 55 3HG1 VAL 55 -3.952 -5.777 -4.345 408 1HG2 VAL 55 1HG2 VAL 55 -5.575 -7.550 -2.407 409 2HG2 VAL 55 2HG2 VAL 55 -6.250 -6.391 -3.578 410 3HG2 VAL 55 3HG2 VAL 55 -6.774 -8.092 -3.606 411 H ASP 56 H ASP 56 -7.755 -8.105 -5.445 412 HA ASP 56 HA ASP 56 -7.556 -7.180 -8.205 413 1HB ASP 56 2HB ASP 56 -10.220 -7.690 -7.934 414 2HB ASP 56 1HB ASP 56 -9.077 -8.859 -8.564 415 H ALA 57 H ALA 57 -7.189 -4.959 -7.503 416 HA ALA 57 HA ALA 57 -9.432 -3.793 -6.002 417 1HB ALA 57 1HB ALA 57 -7.773 -2.053 -5.321 418 2HB ALA 57 2HB ALA 57 -7.334 -3.684 -4.760 419 3HB ALA 57 3HB ALA 57 -6.504 -2.973 -6.165 420 HA PRO 58 HA PRO 58 -10.184 -1.324 -9.472 421 1HB PRO 58 2HB PRO 58 -11.320 0.902 -8.366 422 2HB PRO 58 1HB PRO 58 -12.196 -0.594 -8.622 423 1HG PRO 58 2HG PRO 58 -11.152 0.533 -6.097 424 2HG PRO 58 1HG PRO 58 -12.369 -0.707 -6.325 425 1HD PRO 58 2HD PRO 58 -9.640 -1.106 -5.539 426 2HD PRO 58 1HD PRO 58 -10.825 -2.350 -5.880 427 H VAL 59 H VAL 59 -10.056 1.142 -10.298 428 HA VAL 59 HA VAL 59 -7.643 2.341 -9.267 429 HB VAL 59 HB VAL 59 -7.707 1.611 -12.182 430 1HG1 VAL 59 1HG1 VAL 59 -6.108 3.315 -10.755 431 2HG1 VAL 59 2HG1 VAL 59 -5.155 1.812 -10.714 432 3HG1 VAL 59 3HG1 VAL 59 -5.644 2.514 -12.275 433 1HG2 VAL 59 1HG2 VAL 59 -6.283 -0.328 -11.713 434 2HG2 VAL 59 2HG2 VAL 59 -6.457 -0.048 -9.965 435 3HG2 VAL 59 3HG2 VAL 59 -7.875 -0.505 -10.939 436 H SER 60 H SER 60 -10.232 2.224 -11.782 437 HA SER 60 HA SER 60 -10.146 4.615 -12.857 438 1HB SER 60 2HB SER 60 -12.706 4.612 -12.774 439 2HB SER 60 1HB SER 60 -11.957 3.168 -13.426 440 HG SER 60 HG SER 60 -13.341 2.280 -11.992 441 H GLU 61 H GLU 61 -10.907 3.909 -9.452 442 HA GLU 61 HA GLU 61 -10.343 6.533 -8.704 443 1HB GLU 61 2HB GLU 61 -12.947 6.322 -9.635 444 2HB GLU 61 1HB GLU 61 -13.165 6.071 -7.914 445 1HG GLU 61 2HG GLU 61 -13.114 8.341 -7.733 446 2HG GLU 61 1HG GLU 61 -11.381 8.204 -7.952 447 H PHE 62 H PHE 62 -9.379 3.979 -8.008 448 HA PHE 62 HA PHE 62 -10.469 2.611 -5.977 449 1HB PHE 62 2HB PHE 62 -8.066 2.211 -5.315 450 2HB PHE 62 1HB PHE 62 -8.247 2.192 -7.059 451 HD1 PHE 62 1HD PHE 62 -7.480 4.134 -8.401 452 HD2 PHE 62 2HD PHE 62 -6.752 3.885 -4.228 453 HE1 PHE 62 1HE PHE 62 -5.710 5.902 -8.604 454 HE2 PHE 62 2HE PHE 62 -4.983 5.653 -4.431 455 HZ PHE 62 HZ PHE 62 -4.482 6.641 -6.617 456 H ASP 63 H ASP 63 -10.796 2.799 -3.761 457 HA ASP 63 HA ASP 63 -11.132 5.316 -2.736 458 1HB ASP 63 2HB ASP 63 -10.860 3.839 -0.462 459 2HB ASP 63 1HB ASP 63 -12.307 3.823 -1.450 460 H ARG 64 H ARG 64 -9.056 6.448 -3.176 461 HA ARG 64 HA ARG 64 -6.601 5.633 -2.512 462 1HB ARG 64 2HB ARG 64 -6.121 8.149 -2.100 463 2HB ARG 64 1HB ARG 64 -6.826 7.726 -3.649 464 1HG ARG 64 2HG ARG 64 -8.358 9.350 -3.140 465 2HG ARG 64 1HG ARG 64 -9.112 8.095 -2.176 466 1HD ARG 64 2HD ARG 64 -8.910 9.833 -0.605 467 2HD ARG 64 1HD ARG 64 -7.468 8.896 -0.272 468 HE ARG 64 HE ARG 64 -6.135 10.615 -1.193 469 1HH1 ARG 64 2HH2 ARG 64 -9.538 11.227 -1.845 470 2HH1 ARG 64 1HH2 ARG 64 -9.272 12.848 -2.396 471 1HH2 ARG 64 2HH1 ARG 64 -5.784 12.754 -1.917 472 2HH2 ARG 64 1HH1 ARG 64 -7.122 13.722 -2.436 473 H LYS 65 H LYS 65 -9.212 6.668 -0.349 474 HA LYS 65 HA LYS 65 -7.694 7.308 1.900 475 1HB LYS 65 2HB LYS 65 -9.831 8.006 2.180 476 2HB LYS 65 1HB LYS 65 -10.517 6.666 1.285 477 1HG LYS 65 2HG LYS 65 -11.166 6.394 3.606 478 2HG LYS 65 1HG LYS 65 -9.990 5.146 3.243 479 1HD LYS 65 2HD LYS 65 -9.215 5.997 5.304 480 2HD LYS 65 1HD LYS 65 -8.205 6.835 4.143 481 1HE LYS 65 2HE LYS 65 -8.901 8.642 5.442 482 2HE LYS 65 1HE LYS 65 -10.148 8.662 4.211 483 1HZ LYS 65 1HZ LYS 65 -11.578 7.457 5.657 484 2HZ LYS 65 2HZ LYS 65 -10.407 7.251 6.775 485 3HZ LYS 65 3HZ LYS 65 -11.003 8.743 6.484 486 H GLU 66 H GLU 66 -8.746 4.201 0.495 487 HA GLU 66 HA GLU 66 -7.787 2.808 2.821 488 1HB GLU 66 2HB GLU 66 -9.796 1.906 1.865 489 2HB GLU 66 1HB GLU 66 -9.136 1.936 0.242 490 1HG GLU 66 2HG GLU 66 -7.541 0.158 0.780 491 2HG GLU 66 1HG GLU 66 -7.964 0.224 2.479 492 H TRP 67 H TRP 67 -6.660 3.904 -0.294 493 HA TRP 67 HA TRP 67 -4.397 2.039 -0.160 494 1HB TRP 67 2HB TRP 67 -5.235 3.766 -2.490 495 2HB TRP 67 1HB TRP 67 -4.032 2.491 -2.482 496 HD1 TRP 67 HD TRP 67 -7.784 3.011 -2.821 497 HE1 TRP 67 1HE TRP 67 -9.048 0.761 -3.377 498 HE3 TRP 67 3HE TRP 67 -3.810 -0.044 -1.970 499 HZ2 TRP 67 2HZ TRP 67 -8.261 -1.981 -3.397 500 HZ3 TRP 67 3HZ TRP 67 -4.143 -2.495 -2.281 501 HH2 TRP 67 HH TRP 67 -6.274 -3.474 -2.968 502 H ASP 68 H ASP 68 -5.041 4.574 1.484 503 HA ASP 68 HA ASP 68 -2.909 6.280 0.522 504 1HB ASP 68 2HB ASP 68 -4.704 7.659 1.086 505 2HB ASP 68 1HB ASP 68 -5.269 6.588 2.353 506 H THR 69 H THR 69 -3.989 4.183 3.228 507 HA THR 69 HA THR 69 -1.416 4.646 4.579 508 HB THR 69 HB THR 69 -2.915 3.429 6.458 509 HG1 THR 69 1HG THR 69 -5.151 3.924 5.993 510 1HG2 THR 69 1HG2 THR 69 -3.936 5.701 7.044 511 2HG2 THR 69 2HG2 THR 69 -2.171 5.734 6.813 512 3HG2 THR 69 3HG2 THR 69 -3.249 6.325 5.525 513 HA PRO 70 HA PRO 70 -0.235 0.599 3.796 514 1HB PRO 70 2HB PRO 70 1.318 -0.005 5.962 515 2HB PRO 70 1HB PRO 70 1.884 0.966 4.618 516 1HG PRO 70 2HG PRO 70 1.091 1.838 7.329 517 2HG PRO 70 1HG PRO 70 2.043 2.697 6.133 518 1HD PRO 70 2HD PRO 70 -0.708 3.165 6.796 519 2HD PRO 70 1HD PRO 70 0.210 3.944 5.522 520 H ASN 71 H ASN 71 -1.688 1.139 6.914 521 HA ASN 71 HA ASN 71 -2.113 -1.551 7.462 522 1HB ASN 71 2HB ASN 71 -2.774 1.019 8.620 523 2HB ASN 71 1HB ASN 71 -4.247 0.070 8.568 524 1HD2 ASN 71 1HD2 ASN 71 -2.777 0.896 10.873 525 2HD2 ASN 71 2HD2 ASN 71 -2.259 -0.516 11.732 526 H LYS 72 H LYS 72 -4.296 1.077 6.180 527 HA LYS 72 HA LYS 72 -6.537 -0.460 5.761 528 1HB LYS 72 2HB LYS 72 -5.554 2.161 5.018 529 2HB LYS 72 1HB LYS 72 -6.450 1.450 3.692 530 1HG LYS 72 2HG LYS 72 -8.426 1.171 5.014 531 2HG LYS 72 1HG LYS 72 -7.553 1.357 6.522 532 1HD LYS 72 2HD LYS 72 -7.246 3.709 4.765 533 2HD LYS 72 1HD LYS 72 -8.927 3.381 5.140 534 1HE LYS 72 2HE LYS 72 -6.696 3.641 7.214 535 2HE LYS 72 1HE LYS 72 -7.846 4.902 6.819 536 1HZ LYS 72 1HZ LYS 72 -9.469 2.882 7.328 537 2HZ LYS 72 2HZ LYS 72 -8.241 2.499 8.334 538 3HZ LYS 72 3HZ LYS 72 -8.983 3.948 8.464 539 H ILE 73 H ILE 73 -3.530 -0.193 3.867 540 HA ILE 73 HA ILE 73 -4.640 -1.632 1.646 541 HB ILE 73 HB ILE 73 -1.927 -0.568 2.371 542 1HG1 ILE 73 2HG1 ILE 73 -3.981 0.064 0.241 543 2HG1 ILE 73 1HG1 ILE 73 -3.445 1.089 1.558 544 1HG2 ILE 73 1HG2 ILE 73 -2.549 -2.176 -0.119 545 2HG2 ILE 73 2HG2 ILE 73 -0.995 -1.439 0.337 546 3HG2 ILE 73 3HG2 ILE 73 -1.650 -2.793 1.287 547 1HD1 ILE 73 1HD1 ILE 73 -1.694 0.119 -0.748 548 2HD1 ILE 73 2HD1 ILE 73 -2.371 1.755 -0.571 549 3HD1 ILE 73 3HD1 ILE 73 -1.154 1.166 0.586 550 H ILE 74 H ILE 74 -2.252 -2.302 4.294 551 HA ILE 74 HA ILE 74 -1.676 -4.893 3.637 552 HB ILE 74 HB ILE 74 -1.608 -3.221 6.059 553 1HG1 ILE 74 2HG1 ILE 74 0.424 -5.206 5.027 554 2HG1 ILE 74 1HG1 ILE 74 0.232 -3.617 4.317 555 1HG2 ILE 74 1HG2 ILE 74 -1.625 -6.243 6.245 556 2HG2 ILE 74 2HG2 ILE 74 -0.975 -5.164 7.502 557 3HG2 ILE 74 3HG2 ILE 74 -2.701 -5.092 7.073 558 1HD1 ILE 74 1HD1 ILE 74 1.981 -3.925 6.239 559 2HD1 ILE 74 2HD1 ILE 74 0.917 -2.497 6.285 560 3HD1 ILE 74 3HD1 ILE 74 0.565 -3.905 7.317 561 H ALA 75 H ALA 75 -4.681 -3.514 4.798 562 HA ALA 75 HA ALA 75 -5.703 -6.060 5.694 563 1HB ALA 75 1HB ALA 75 -7.144 -3.415 5.269 564 2HB ALA 75 2HB ALA 75 -7.677 -4.790 6.266 565 3HB ALA 75 3HB ALA 75 -6.255 -3.836 6.752 566 H LYS 76 H LYS 76 -5.764 -3.945 2.819 567 HA LYS 76 HA LYS 76 -7.910 -5.285 1.557 568 1HB LYS 76 2HB LYS 76 -6.923 -2.921 1.142 569 2HB LYS 76 1HB LYS 76 -5.749 -3.738 0.130 570 1HG LYS 76 2HG LYS 76 -7.728 -2.959 -1.179 571 2HG LYS 76 1HG LYS 76 -7.529 -4.698 -1.266 572 1HD LYS 76 2HD LYS 76 -9.359 -5.117 0.189 573 2HD LYS 76 1HD LYS 76 -9.306 -3.509 0.882 574 1HE LYS 76 2HE LYS 76 -10.410 -2.525 -0.944 575 2HE LYS 76 1HE LYS 76 -9.868 -3.750 -2.074 576 1HZ LYS 76 1HZ LYS 76 -11.357 -5.111 -0.269 577 2HZ LYS 76 2HZ LYS 76 -12.190 -3.720 -0.466 578 3HZ LYS 76 3HZ LYS 76 -11.841 -4.654 -1.760 579 H VAL 77 H VAL 77 -4.384 -5.778 1.768 580 HA VAL 77 HA VAL 77 -4.306 -7.662 -0.361 581 HB VAL 77 HB VAL 77 -2.381 -7.155 1.915 582 1HG1 VAL 77 1HG1 VAL 77 -0.724 -8.275 0.640 583 2HG1 VAL 77 2HG1 VAL 77 -2.156 -9.332 0.612 584 3HG1 VAL 77 3HG1 VAL 77 -1.761 -8.331 -0.806 585 1HG2 VAL 77 1HG2 VAL 77 -1.914 -5.199 0.954 586 2HG2 VAL 77 2HG2 VAL 77 -1.440 -6.060 -0.531 587 3HG2 VAL 77 3HG2 VAL 77 -3.118 -5.505 -0.319 588 H GLU 78 H GLU 78 -4.779 -7.765 3.189 589 HA GLU 78 HA GLU 78 -4.542 -10.569 3.317 590 1HB GLU 78 2HB GLU 78 -5.600 -8.437 5.200 591 2HB GLU 78 1HB GLU 78 -5.737 -10.137 5.605 592 1HG GLU 78 2HG GLU 78 -3.043 -9.663 4.673 593 2HG GLU 78 1HG GLU 78 -3.429 -8.423 5.848 594 H GLN 79 H GLN 79 -7.169 -8.263 2.670 595 HA GLN 79 HA GLN 79 -9.128 -10.361 2.918 596 1HB GLN 79 2HB GLN 79 -9.154 -7.532 3.206 597 2HB GLN 79 1HB GLN 79 -10.152 -7.870 1.806 598 1HG GLN 79 2HG GLN 79 -11.703 -8.061 3.564 599 2HG GLN 79 1HG GLN 79 -11.246 -9.733 3.304 600 1HE2 GLN 79 1HE2 GLN 79 -10.345 -6.837 5.152 601 2HE2 GLN 79 2HE2 GLN 79 -9.878 -7.640 6.614 602 H ALA 80 H ALA 80 -6.964 -10.487 0.850 603 HA ALA 80 HA ALA 80 -8.711 -10.486 -1.514 604 1HB ALA 80 1HB ALA 80 -5.765 -9.761 -1.278 605 2HB ALA 80 2HB ALA 80 -6.615 -10.012 -2.822 606 3HB ALA 80 3HB ALA 80 -7.103 -8.685 -1.742 607 H GLN 81 H GLN 81 -5.784 -11.889 0.099 608 HA GLN 81 HA GLN 81 -5.354 -13.985 -1.524 609 1HB GLN 81 2HB GLN 81 -5.220 -13.950 1.524 610 2HB GLN 81 1HB GLN 81 -4.457 -15.161 0.514 611 1HG GLN 81 2HG GLN 81 -3.833 -12.182 0.624 612 2HG GLN 81 1HG GLN 81 -2.768 -13.509 1.039 613 1HE2 GLN 81 1HE2 GLN 81 -4.277 -11.690 -1.510 614 2HE2 GLN 81 2HE2 GLN 81 -3.332 -12.277 -2.837 Start of MODEL 9 1 H ALA 2 H ALA 2 2.519 -19.184 9.325 2 HA ALA 2 HA ALA 2 2.867 -18.608 7.215 3 1HB ALA 2 1HB ALA 2 1.044 -20.623 7.204 4 2HB ALA 2 2HB ALA 2 0.132 -19.376 6.320 5 3HB ALA 2 3HB ALA 2 1.723 -19.906 5.723 6 H ASP 3 H ASP 3 1.865 -17.280 5.235 7 HA ASP 3 HA ASP 3 0.812 -15.509 4.477 8 1HB ASP 3 2HB ASP 3 -0.343 -14.708 7.148 9 2HB ASP 3 1HB ASP 3 -1.031 -14.506 5.550 10 H GLU 4 H GLU 4 3.446 -15.362 5.198 11 HA GLU 4 HA GLU 4 3.629 -12.893 6.743 12 1HB GLU 4 2HB GLU 4 5.147 -15.395 6.844 13 2HB GLU 4 1HB GLU 4 6.212 -14.031 6.569 14 1HG GLU 4 2HG GLU 4 5.419 -12.889 8.558 15 2HG GLU 4 1HG GLU 4 4.081 -14.004 8.749 16 H ALA 5 H ALA 5 4.453 -14.640 3.756 17 HA ALA 5 HA ALA 5 6.275 -12.702 2.779 18 1HB ALA 5 1HB ALA 5 6.252 -14.012 0.800 19 2HB ALA 5 2HB ALA 5 5.986 -15.178 2.118 20 3HB ALA 5 3HB ALA 5 4.614 -14.627 1.126 21 H ILE 6 H ILE 6 2.973 -12.536 3.448 22 HA ILE 6 HA ILE 6 2.396 -10.820 1.163 23 HB ILE 6 HB ILE 6 0.818 -12.379 3.122 24 1HG1 ILE 6 2HG1 ILE 6 0.465 -11.699 0.187 25 2HG1 ILE 6 1HG1 ILE 6 1.188 -13.161 0.827 26 1HG2 ILE 6 1HG2 ILE 6 0.106 -9.612 2.301 27 2HG2 ILE 6 2HG2 ILE 6 -1.182 -10.839 2.230 28 3HG2 ILE 6 3HG2 ILE 6 -0.329 -10.531 3.762 29 1HD1 ILE 6 1HD1 ILE 6 -1.597 -12.603 0.381 30 2HD1 ILE 6 2HD1 ILE 6 -0.860 -14.103 0.996 31 3HD1 ILE 6 3HD1 ILE 6 -1.355 -12.824 2.131 32 H LYS 7 H LYS 7 2.646 -10.802 4.759 33 HA LYS 7 HA LYS 7 1.997 -8.041 4.945 34 1HB LYS 7 2HB LYS 7 1.901 -10.048 6.695 35 2HB LYS 7 1HB LYS 7 3.507 -9.474 7.093 36 1HG LYS 7 2HG LYS 7 1.629 -7.234 6.784 37 2HG LYS 7 1HG LYS 7 1.053 -8.382 7.978 38 1HD LYS 7 2HD LYS 7 3.906 -7.989 8.357 39 2HD LYS 7 1HD LYS 7 3.126 -6.422 8.277 40 1HE LYS 7 2HE LYS 7 1.967 -6.741 10.246 41 2HE LYS 7 1HE LYS 7 1.676 -8.439 9.928 42 1HZ LYS 7 1HZ LYS 7 4.289 -8.443 10.279 43 2HZ LYS 7 2HZ LYS 7 3.895 -7.199 11.261 44 3HZ LYS 7 3HZ LYS 7 3.225 -8.671 11.497 45 H ASN 8 H ASN 8 5.022 -9.984 4.780 46 HA ASN 8 HA ASN 8 6.710 -7.839 5.302 47 1HB ASN 8 2HB ASN 8 6.946 -10.624 4.699 48 2HB ASN 8 1HB ASN 8 7.899 -9.803 3.479 49 1HD2 ASN 8 1HD2 ASN 8 8.946 -11.471 5.461 50 2HD2 ASN 8 2HD2 ASN 8 9.967 -10.555 6.518 51 H GLY 9 H GLY 9 5.813 -9.552 2.205 52 1HA GLY 9 2HA GLY 9 7.146 -7.974 0.395 53 2HA GLY 9 1HA GLY 9 5.641 -8.817 0.086 54 H VAL 10 H VAL 10 3.767 -7.534 1.672 55 HA VAL 10 HA VAL 10 3.106 -5.320 0.194 56 HB VAL 10 HB VAL 10 2.338 -6.318 2.923 57 1HG1 VAL 10 1HG1 VAL 10 1.672 -4.238 3.463 58 2HG1 VAL 10 2HG1 VAL 10 1.819 -3.649 1.789 59 3HG1 VAL 10 3HG1 VAL 10 0.355 -4.522 2.300 60 1HG2 VAL 10 1HG2 VAL 10 0.460 -5.996 0.612 61 2HG2 VAL 10 2HG2 VAL 10 1.666 -7.305 0.553 62 3HG2 VAL 10 3HG2 VAL 10 0.497 -7.230 1.894 63 H LEU 11 H LEU 11 4.855 -5.520 3.355 64 HA LEU 11 HA LEU 11 5.090 -2.723 3.627 65 1HB LEU 11 2HB LEU 11 5.436 -4.873 5.240 66 2HB LEU 11 1HB LEU 11 7.106 -4.473 4.890 67 HG LEU 11 HG LEU 11 5.025 -2.818 6.302 68 1HD1 LEU 11 1HD1 LEU 11 6.812 -4.510 7.324 69 2HD1 LEU 11 2HD1 LEU 11 7.853 -3.071 7.205 70 3HD1 LEU 11 3HD1 LEU 11 6.343 -3.001 8.145 71 1HD2 LEU 11 1HD2 LEU 11 5.750 -0.975 5.278 72 2HD2 LEU 11 2HD2 LEU 11 7.260 -1.195 6.193 73 3HD2 LEU 11 3HD2 LEU 11 7.127 -1.824 4.533 74 H ASP 12 H ASP 12 7.295 -5.304 2.368 75 HA ASP 12 HA ASP 12 9.450 -3.713 1.895 76 1HB ASP 12 2HB ASP 12 8.878 -6.328 1.493 77 2HB ASP 12 1HB ASP 12 8.706 -5.784 -0.164 78 H ILE 13 H ILE 13 6.684 -4.597 -0.307 79 HA ILE 13 HA ILE 13 7.553 -3.015 -2.456 80 HB ILE 13 HB ILE 13 5.141 -4.536 -1.688 81 1HG1 ILE 13 2HG1 ILE 13 5.848 -4.609 -4.473 82 2HG1 ILE 13 1HG1 ILE 13 7.311 -4.739 -3.516 83 1HG2 ILE 13 1HG2 ILE 13 3.896 -3.596 -3.678 84 2HG2 ILE 13 2HG2 ILE 13 3.979 -2.549 -2.241 85 3HG2 ILE 13 3HG2 ILE 13 5.034 -2.229 -3.638 86 1HD1 ILE 13 1HD1 ILE 13 6.698 -6.968 -3.501 87 2HD1 ILE 13 2HD1 ILE 13 5.760 -6.435 -2.085 88 3HD1 ILE 13 3HD1 ILE 13 4.965 -6.600 -3.669 89 H LEU 14 H LEU 14 6.275 -2.200 0.635 90 HA LEU 14 HA LEU 14 5.059 0.256 -0.288 91 1HB LEU 14 2HB LEU 14 5.119 -1.344 2.178 92 2HB LEU 14 1HB LEU 14 5.144 0.388 2.441 93 HG LEU 14 HG LEU 14 3.060 0.695 1.319 94 1HD1 LEU 14 1HD1 LEU 14 3.789 -1.475 -0.234 95 2HD1 LEU 14 2HD1 LEU 14 2.401 -2.082 0.700 96 3HD1 LEU 14 3HD1 LEU 14 2.235 -0.610 -0.288 97 1HD2 LEU 14 1HD2 LEU 14 3.270 -0.570 3.678 98 2HD2 LEU 14 2HD2 LEU 14 1.713 -0.139 2.932 99 3HD2 LEU 14 3HD2 LEU 14 2.349 -1.794 2.772 100 H ALA 15 H ALA 15 7.681 -0.597 2.088 101 HA ALA 15 HA ALA 15 8.719 1.926 2.334 102 1HB ALA 15 1HB ALA 15 10.223 0.844 3.632 103 2HB ALA 15 2HB ALA 15 9.290 -0.625 3.254 104 3HB ALA 15 3HB ALA 15 10.737 -0.220 2.300 105 H ASP 16 H ASP 16 8.882 -0.326 -0.372 106 HA ASP 16 HA ASP 16 11.143 0.943 -1.532 107 1HB ASP 16 2HB ASP 16 9.317 -1.312 -2.141 108 2HB ASP 16 1HB ASP 16 9.822 -0.440 -3.575 109 H LEU 17 H LEU 17 7.568 1.093 -1.690 110 HA LEU 17 HA LEU 17 7.354 2.546 -4.077 111 1HB LEU 17 2HB LEU 17 5.658 1.477 -2.077 112 2HB LEU 17 1HB LEU 17 5.250 3.174 -2.236 113 HG LEU 17 HG LEU 17 5.031 2.801 -4.727 114 1HD1 LEU 17 1HD1 LEU 17 5.329 0.810 -5.718 115 2HD1 LEU 17 2HD1 LEU 17 6.311 0.440 -4.280 116 3HD1 LEU 17 3HD1 LEU 17 4.615 -0.094 -4.361 117 1HD2 LEU 17 1HD2 LEU 17 3.086 1.027 -3.286 118 2HD2 LEU 17 2HD2 LEU 17 3.173 2.760 -2.892 119 3HD2 LEU 17 3HD2 LEU 17 2.800 2.242 -4.553 120 H THR 18 H THR 18 7.522 3.572 -0.606 121 HA THR 18 HA THR 18 7.575 6.349 -1.381 122 HB THR 18 HB THR 18 7.506 6.711 1.013 123 HG1 THR 18 1HG THR 18 8.157 3.862 1.198 124 1HG2 THR 18 1HG2 THR 18 5.724 4.807 -0.173 125 2HG2 THR 18 2HG2 THR 18 6.195 4.140 1.409 126 3HG2 THR 18 3HG2 THR 18 5.453 5.755 1.309 127 H GLY 19 H GLY 19 9.903 3.799 -0.490 128 1HA GLY 19 2HA GLY 19 12.117 3.840 -1.198 129 2HA GLY 19 1HA GLY 19 12.048 5.582 -1.378 130 H SER 20 H SER 20 10.518 5.490 1.424 131 HA SER 20 HA SER 20 12.957 5.167 2.990 132 1HB SER 20 2HB SER 20 11.071 7.483 2.790 133 2HB SER 20 1HB SER 20 11.624 7.083 4.405 134 HG SER 20 HG SER 20 13.867 7.022 3.221 135 H ASP 21 H ASP 21 12.633 4.436 5.211 136 HA ASP 21 HA ASP 21 10.302 2.811 5.421 137 1HB ASP 21 2HB ASP 21 11.493 2.402 7.786 138 2HB ASP 21 1HB ASP 21 12.101 1.662 6.319 139 H ASP 22 H ASP 22 9.330 5.360 5.368 140 HA ASP 22 HA ASP 22 9.252 6.405 8.038 141 1HB ASP 22 2HB ASP 22 7.387 7.806 6.457 142 2HB ASP 22 1HB ASP 22 9.020 8.314 6.840 143 H VAL 23 H VAL 23 7.034 5.067 5.489 144 HA VAL 23 HA VAL 23 4.822 5.023 7.345 145 HB VAL 23 HB VAL 23 3.527 4.335 5.473 146 1HG1 VAL 23 1HG1 VAL 23 5.577 6.465 4.862 147 2HG1 VAL 23 2HG1 VAL 23 4.270 6.079 3.717 148 3HG1 VAL 23 3HG1 VAL 23 3.878 6.651 5.357 149 1HG2 VAL 23 1HG2 VAL 23 4.518 2.728 4.216 150 2HG2 VAL 23 2HG2 VAL 23 5.002 4.118 3.215 151 3HG2 VAL 23 3HG2 VAL 23 6.143 3.434 4.397 152 H LYS 24 H LYS 24 7.513 3.044 6.496 153 HA LYS 24 HA LYS 24 6.371 0.507 6.706 154 1HB LYS 24 2HB LYS 24 8.483 0.502 5.784 155 2HB LYS 24 1HB LYS 24 9.121 1.661 6.932 156 1HG LYS 24 2HG LYS 24 8.207 -1.040 7.945 157 2HG LYS 24 1HG LYS 24 9.748 -0.925 7.118 158 1HD LYS 24 2HD LYS 24 9.693 1.265 8.943 159 2HD LYS 24 1HD LYS 24 9.060 -0.105 9.833 160 1HE LYS 24 2HE LYS 24 11.092 -1.443 8.931 161 2HE LYS 24 1HE LYS 24 11.747 0.095 8.408 162 1HZ LYS 24 1HZ LYS 24 12.583 -0.128 10.503 163 2HZ LYS 24 2HZ LYS 24 11.259 0.776 10.817 164 3HZ LYS 24 3HZ LYS 24 11.243 -0.829 11.121 165 H LYS 25 H LYS 25 7.572 2.844 9.154 166 HA LYS 25 HA LYS 25 7.169 0.966 11.286 167 1HB LYS 25 2HB LYS 25 8.980 2.560 11.438 168 2HB LYS 25 1HB LYS 25 7.882 3.910 11.231 169 1HG LYS 25 2HG LYS 25 7.294 1.994 13.478 170 2HG LYS 25 1HG LYS 25 8.677 3.052 13.672 171 1HD LYS 25 2HD LYS 25 6.953 4.933 12.856 172 2HD LYS 25 1HD LYS 25 5.756 3.779 13.409 173 1HE LYS 25 2HE LYS 25 7.746 3.869 15.454 174 2HE LYS 25 1HE LYS 25 7.468 5.535 14.987 175 1HZ LYS 25 1HZ LYS 25 5.880 5.049 16.585 176 2HZ LYS 25 2HZ LYS 25 5.044 4.970 15.184 177 3HZ LYS 25 3HZ LYS 25 5.496 3.596 15.943 178 H ASN 26 H ASN 26 5.731 4.231 10.570 179 HA ASN 26 HA ASN 26 3.587 3.783 12.281 180 1HB ASN 26 2HB ASN 26 4.313 5.785 10.152 181 2HB ASN 26 1HB ASN 26 2.616 5.702 10.582 182 1HD2 ASN 26 1HD2 ASN 26 1.913 6.664 12.358 183 2HD2 ASN 26 2HD2 ASN 26 2.891 7.389 13.591 184 H LEU 27 H LEU 27 1.711 2.578 11.915 185 HA LEU 27 HA LEU 27 1.296 1.565 9.218 186 1HB LEU 27 2HB LEU 27 0.006 0.784 11.835 187 2HB LEU 27 1HB LEU 27 -0.218 -0.018 10.292 188 HG LEU 27 HG LEU 27 2.566 0.226 11.364 189 1HD1 LEU 27 1HD1 LEU 27 1.992 -0.706 13.315 190 2HD1 LEU 27 2HD1 LEU 27 0.376 -1.170 12.732 191 3HD1 LEU 27 3HD1 LEU 27 1.782 -2.200 12.371 192 1HD2 LEU 27 1HD2 LEU 27 2.692 -2.080 10.330 193 2HD2 LEU 27 2HD2 LEU 27 1.055 -1.790 9.693 194 3HD2 LEU 27 3HD2 LEU 27 2.401 -0.732 9.205 195 H ASP 28 H ASP 28 0.815 4.405 9.818 196 HA ASP 28 HA ASP 28 -1.793 4.504 8.738 197 1HB ASP 28 2HB ASP 28 -1.545 4.692 11.581 198 2HB ASP 28 1HB ASP 28 -1.826 6.328 11.014 199 H LEU 29 H LEU 29 1.042 5.274 8.158 200 HA LEU 29 HA LEU 29 1.030 8.166 8.436 201 1HB LEU 29 2HB LEU 29 3.035 6.753 8.926 202 2HB LEU 29 1HB LEU 29 3.113 6.347 7.223 203 HG LEU 29 HG LEU 29 3.336 8.818 6.732 204 1HD1 LEU 29 1HD1 LEU 29 4.149 10.240 8.616 205 2HD1 LEU 29 2HD1 LEU 29 2.433 9.779 8.732 206 3HD1 LEU 29 3HD1 LEU 29 3.646 8.955 9.740 207 1HD2 LEU 29 1HD2 LEU 29 5.286 7.528 6.526 208 2HD2 LEU 29 2HD2 LEU 29 5.750 8.895 7.569 209 3HD2 LEU 29 3HD2 LEU 29 5.429 7.297 8.284 210 H ASN 30 H ASN 30 -0.478 9.042 7.053 211 HA ASN 30 HA ASN 30 -1.418 8.154 4.772 212 1HB ASN 30 2HB ASN 30 -0.465 11.049 5.048 213 2HB ASN 30 1HB ASN 30 -1.831 10.482 4.106 214 1HD2 ASN 30 1HD2 ASN 30 -3.244 8.881 5.599 215 2HD2 ASN 30 2HD2 ASN 30 -3.803 9.611 7.067 216 H LEU 31 H LEU 31 -0.444 7.378 2.895 217 HA LEU 31 HA LEU 31 2.299 7.980 2.371 218 1HB LEU 31 2HB LEU 31 0.304 6.450 0.697 219 2HB LEU 31 1HB LEU 31 2.048 6.438 0.524 220 HG LEU 31 HG LEU 31 1.216 5.679 3.220 221 1HD1 LEU 31 1HD1 LEU 31 0.540 3.513 1.321 222 2HD1 LEU 31 2HD1 LEU 31 -0.179 3.941 2.892 223 3HD1 LEU 31 3HD1 LEU 31 -0.632 4.849 1.430 224 1HD2 LEU 31 1HD2 LEU 31 2.701 3.953 1.257 225 2HD2 LEU 31 2HD2 LEU 31 3.465 5.398 1.963 226 3HD2 LEU 31 3HD2 LEU 31 2.890 4.088 3.022 227 H PHE 32 H PHE 32 -0.611 9.628 1.842 228 HA PHE 32 HA PHE 32 0.464 10.893 -0.575 229 1HB PHE 32 2HB PHE 32 -2.294 10.483 0.683 230 2HB PHE 32 1HB PHE 32 -2.067 11.774 -0.480 231 HD1 PHE 32 1HD PHE 32 -1.782 8.102 -0.053 232 HD2 PHE 32 2HD PHE 32 -2.094 11.331 -2.788 233 HE1 PHE 32 1HE PHE 32 -2.145 6.477 -1.930 234 HE2 PHE 32 2HE PHE 32 -2.457 9.706 -4.666 235 HZ PHE 32 HZ PHE 32 -2.477 7.298 -4.215 236 H GLU 33 H GLU 33 -1.162 11.538 2.602 237 HA GLU 33 HA GLU 33 -0.845 14.311 2.383 238 1HB GLU 33 2HB GLU 33 -2.072 12.459 4.174 239 2HB GLU 33 1HB GLU 33 -0.979 13.422 5.148 240 1HG GLU 33 2HG GLU 33 -2.123 15.379 3.570 241 2HG GLU 33 1HG GLU 33 -3.452 14.245 3.699 242 H THR 34 H THR 34 1.381 11.764 2.994 243 HA THR 34 HA THR 34 3.171 13.494 4.532 244 HB THR 34 HB THR 34 3.369 10.535 3.759 245 HG1 THR 34 1HG THR 34 1.526 11.447 5.177 246 1HG2 THR 34 1HG2 THR 34 4.578 11.613 6.264 247 2HG2 THR 34 2HG2 THR 34 5.232 10.418 5.118 248 3HG2 THR 34 3HG2 THR 34 5.376 12.157 4.769 249 H GLY 35 H GLY 35 2.450 12.620 1.292 250 1HA GLY 35 2HA GLY 35 3.449 13.338 -0.610 251 2HA GLY 35 1HA GLY 35 4.706 14.109 0.338 252 H LEU 36 H LEU 36 3.897 10.686 0.861 253 HA LEU 36 HA LEU 36 6.572 10.006 -0.051 254 1HB LEU 36 2HB LEU 36 4.515 8.703 1.698 255 2HB LEU 36 1HB LEU 36 5.795 7.742 0.985 256 HG LEU 36 HG LEU 36 6.190 8.563 3.339 257 1HD1 LEU 36 1HD1 LEU 36 8.581 9.548 2.553 258 2HD1 LEU 36 2HD1 LEU 36 8.163 7.818 2.544 259 3HD1 LEU 36 3HD1 LEU 36 8.049 8.768 1.044 260 1HD2 LEU 36 1HD2 LEU 36 6.778 10.817 3.777 261 2HD2 LEU 36 2HD2 LEU 36 6.763 11.237 2.048 262 3HD2 LEU 36 3HD2 LEU 36 5.238 10.859 2.886 263 H LEU 37 H LEU 37 3.269 9.974 -1.111 264 HA LEU 37 HA LEU 37 4.094 8.309 -3.373 265 1HB LEU 37 2HB LEU 37 2.530 7.282 -1.450 266 2HB LEU 37 1HB LEU 37 1.295 8.061 -2.418 267 HG LEU 37 HG LEU 37 3.073 6.580 -4.142 268 1HD1 LEU 37 1HD1 LEU 37 2.420 5.289 -1.585 269 2HD1 LEU 37 2HD1 LEU 37 1.952 4.345 -3.020 270 3HD1 LEU 37 3HD1 LEU 37 3.640 4.871 -2.812 271 1HD2 LEU 37 1HD2 LEU 37 0.871 5.377 -4.631 272 2HD2 LEU 37 2HD2 LEU 37 0.133 6.505 -3.468 273 3HD2 LEU 37 3HD2 LEU 37 0.934 7.130 -4.930 274 H ASP 38 H ASP 38 2.285 8.572 -5.188 275 HA ASP 38 HA ASP 38 1.361 11.324 -5.123 276 1HB ASP 38 2HB ASP 38 3.580 10.501 -6.600 277 2HB ASP 38 1HB ASP 38 2.288 10.367 -7.776 278 H SER 39 H SER 39 1.508 8.243 -7.073 279 HA SER 39 HA SER 39 -1.087 7.571 -6.882 280 1HB SER 39 2HB SER 39 -1.942 8.326 -9.210 281 2HB SER 39 1HB SER 39 -1.948 9.511 -7.919 282 HG SER 39 HG SER 39 -0.787 10.718 -9.249 283 H MET 40 H MET 40 1.573 8.066 -9.282 284 HA MET 40 HA MET 40 1.032 5.811 -10.790 285 1HB MET 40 2HB MET 40 3.364 7.660 -10.304 286 2HB MET 40 1HB MET 40 3.752 6.126 -11.058 287 1HG MET 40 2HG MET 40 1.649 8.099 -12.080 288 2HG MET 40 1HG MET 40 3.259 7.909 -12.747 289 1HE MET 40 1HE MET 40 3.861 6.070 -14.565 290 2HE MET 40 2HE MET 40 4.115 5.278 -12.992 291 3HE MET 40 3HE MET 40 3.272 4.412 -14.298 292 H GLY 41 H GLY 41 2.631 6.239 -7.662 293 1HA GLY 41 2HA GLY 41 4.181 3.910 -7.577 294 2HA GLY 41 1HA GLY 41 3.526 4.782 -6.205 295 H THR 42 H THR 42 0.782 4.545 -6.441 296 HA THR 42 HA THR 42 0.291 2.002 -5.455 297 HB THR 42 HB THR 42 -1.129 4.471 -6.060 298 HG1 THR 42 1HG THR 42 -1.802 2.041 -4.560 299 1HG2 THR 42 1HG2 THR 42 -2.478 1.835 -6.802 300 2HG2 THR 42 2HG2 THR 42 -3.410 3.222 -6.190 301 3HG2 THR 42 3HG2 THR 42 -2.495 3.366 -7.711 302 H VAL 43 H VAL 43 0.128 3.253 -8.809 303 HA VAL 43 HA VAL 43 -1.236 1.136 -9.943 304 HB VAL 43 HB VAL 43 0.974 2.880 -11.048 305 1HG1 VAL 43 1HG1 VAL 43 -0.983 1.027 -12.434 306 2HG1 VAL 43 2HG1 VAL 43 -0.109 2.332 -13.272 307 3HG1 VAL 43 3HG1 VAL 43 0.796 1.004 -12.508 308 1HG2 VAL 43 1HG2 VAL 43 -1.456 3.690 -10.117 309 2HG2 VAL 43 2HG2 VAL 43 -0.557 4.501 -11.422 310 3HG2 VAL 43 3HG2 VAL 43 -1.847 3.340 -11.818 311 H GLN 44 H GLN 44 2.317 1.569 -9.365 312 HA GLN 44 HA GLN 44 2.994 -0.885 -10.489 313 1HB GLN 44 2HB GLN 44 4.551 1.057 -10.060 314 2HB GLN 44 1HB GLN 44 4.500 0.681 -8.350 315 1HG GLN 44 2HG GLN 44 5.802 -1.221 -8.577 316 2HG GLN 44 1HG GLN 44 5.146 -1.620 -10.152 317 1HE2 GLN 44 1HE2 GLN 44 7.644 -1.995 -10.142 318 2HE2 GLN 44 2HE2 GLN 44 8.591 -0.729 -10.850 319 H LEU 45 H LEU 45 2.654 0.141 -7.015 320 HA LEU 45 HA LEU 45 3.209 -2.193 -5.780 321 1HB LEU 45 2HB LEU 45 2.681 -0.909 -4.078 322 2HB LEU 45 1HB LEU 45 1.933 0.251 -5.158 323 HG LEU 45 HG LEU 45 -0.177 -1.215 -5.008 324 1HD1 LEU 45 1HD1 LEU 45 1.503 -2.420 -2.817 325 2HD1 LEU 45 2HD1 LEU 45 -0.274 -2.414 -2.733 326 3HD1 LEU 45 3HD1 LEU 45 0.549 -3.230 -4.084 327 1HD2 LEU 45 1HD2 LEU 45 -0.878 0.464 -3.743 328 2HD2 LEU 45 2HD2 LEU 45 -0.035 -0.208 -2.328 329 3HD2 LEU 45 3HD2 LEU 45 0.815 0.909 -3.421 330 H LEU 46 H LEU 46 0.149 -1.283 -7.450 331 HA LEU 46 HA LEU 46 -1.328 -3.502 -6.672 332 1HB LEU 46 2HB LEU 46 -1.533 -1.302 -8.513 333 2HB LEU 46 1HB LEU 46 -2.092 -2.770 -9.288 334 HG LEU 46 HG LEU 46 -3.143 -1.512 -6.748 335 1HD1 LEU 46 1HD1 LEU 46 -4.206 -1.885 -9.537 336 2HD1 LEU 46 2HD1 LEU 46 -5.309 -1.691 -8.154 337 3HD1 LEU 46 3HD1 LEU 46 -4.132 -0.413 -8.540 338 1HD2 LEU 46 1HD2 LEU 46 -4.821 -3.637 -7.343 339 2HD2 LEU 46 2HD2 LEU 46 -3.188 -4.312 -7.558 340 3HD2 LEU 46 3HD2 LEU 46 -3.641 -3.554 -6.012 341 H LEU 47 H LEU 47 0.943 -2.993 -9.431 342 HA LEU 47 HA LEU 47 0.491 -5.348 -10.766 343 1HB LEU 47 2HB LEU 47 2.107 -3.226 -11.088 344 2HB LEU 47 1HB LEU 47 3.290 -4.392 -10.531 345 HG LEU 47 HG LEU 47 3.171 -4.279 -12.977 346 1HD1 LEU 47 1HD1 LEU 47 2.062 -6.984 -12.444 347 2HD1 LEU 47 2HD1 LEU 47 3.562 -6.491 -13.266 348 3HD1 LEU 47 3HD1 LEU 47 3.479 -6.487 -11.488 349 1HD2 LEU 47 1HD2 LEU 47 0.426 -4.084 -12.609 350 2HD2 LEU 47 2HD2 LEU 47 1.284 -4.265 -14.158 351 3HD2 LEU 47 3HD2 LEU 47 0.653 -5.701 -13.317 352 H GLU 48 H GLU 48 2.527 -4.702 -7.865 353 HA GLU 48 HA GLU 48 3.391 -7.420 -7.816 354 1HB GLU 48 2HB GLU 48 4.136 -4.916 -6.550 355 2HB GLU 48 1HB GLU 48 3.930 -6.144 -5.317 356 1HG GLU 48 2HG GLU 48 6.254 -6.155 -6.149 357 2HG GLU 48 1HG GLU 48 5.463 -7.668 -6.546 358 H LEU 49 H LEU 49 0.685 -5.555 -6.654 359 HA LEU 49 HA LEU 49 0.099 -7.391 -4.501 360 1HB LEU 49 2HB LEU 49 -0.417 -4.726 -4.978 361 2HB LEU 49 1HB LEU 49 -1.966 -5.478 -5.306 362 HG LEU 49 HG LEU 49 -1.729 -6.627 -3.028 363 1HD1 LEU 49 1HD1 LEU 49 -0.129 -4.577 -1.831 364 2HD1 LEU 49 2HD1 LEU 49 0.105 -6.342 -1.817 365 3HD1 LEU 49 3HD1 LEU 49 0.807 -5.361 -3.125 366 1HD2 LEU 49 1HD2 LEU 49 -2.724 -4.095 -3.798 367 2HD2 LEU 49 2HD2 LEU 49 -3.236 -5.116 -2.432 368 3HD2 LEU 49 3HD2 LEU 49 -1.967 -3.890 -2.201 369 H GLN 50 H GLN 50 -0.163 -7.402 -7.868 370 HA GLN 50 HA GLN 50 -2.504 -9.135 -7.682 371 1HB GLN 50 2HB GLN 50 -2.758 -6.988 -9.041 372 2HB GLN 50 1HB GLN 50 -1.565 -7.625 -10.157 373 1HG GLN 50 2HG GLN 50 -2.980 -9.543 -10.695 374 2HG GLN 50 1HG GLN 50 -4.109 -9.140 -9.417 375 1HE2 GLN 50 1HE2 GLN 50 -5.750 -7.822 -9.806 376 2HE2 GLN 50 2HE2 GLN 50 -6.017 -6.917 -11.258 377 H SER 51 H SER 51 0.627 -9.473 -7.476 378 HA SER 51 HA SER 51 0.735 -11.592 -9.477 379 1HB SER 51 2HB SER 51 2.344 -9.837 -10.039 380 2HB SER 51 1HB SER 51 2.980 -9.832 -8.406 381 HG SER 51 HG SER 51 3.680 -12.068 -8.756 382 H GLN 52 H GLN 52 2.079 -10.463 -6.288 383 HA GLN 52 HA GLN 52 2.614 -13.187 -5.575 384 1HB GLN 52 2HB GLN 52 2.982 -10.572 -4.046 385 2HB GLN 52 1HB GLN 52 3.491 -12.140 -3.451 386 1HG GLN 52 2HG GLN 52 4.414 -11.417 -6.212 387 2HG GLN 52 1HG GLN 52 5.113 -10.489 -4.899 388 1HE2 GLN 52 1HE2 GLN 52 6.784 -11.286 -3.868 389 2HE2 GLN 52 2HE2 GLN 52 7.329 -12.930 -3.876 390 H PHE 53 H PHE 53 0.083 -10.794 -5.203 391 HA PHE 53 HA PHE 53 -1.183 -12.511 -3.184 392 1HB PHE 53 2HB PHE 53 -1.813 -9.587 -3.859 393 2HB PHE 53 1HB PHE 53 -2.247 -10.447 -2.396 394 HD1 PHE 53 1HD PHE 53 0.731 -9.251 -4.285 395 HD2 PHE 53 2HD PHE 53 -0.916 -10.240 -0.502 396 HE1 PHE 53 1HE PHE 53 2.794 -8.373 -3.157 397 HE2 PHE 53 2HE PHE 53 1.148 -9.363 0.627 398 HZ PHE 53 HZ PHE 53 2.978 -8.440 -0.714 399 H GLY 54 H GLY 54 -1.424 -10.876 -6.327 400 1HA GLY 54 2HA GLY 54 -2.866 -11.186 -8.029 401 2HA GLY 54 1HA GLY 54 -3.539 -12.561 -7.175 402 H VAL 55 H VAL 55 -3.361 -9.311 -5.702 403 HA VAL 55 HA VAL 55 -6.055 -9.310 -5.009 404 HB VAL 55 HB VAL 55 -4.085 -7.032 -5.290 405 1HG1 VAL 55 1HG1 VAL 55 -5.714 -5.638 -4.684 406 2HG1 VAL 55 2HG1 VAL 55 -6.881 -6.983 -4.717 407 3HG1 VAL 55 3HG1 VAL 55 -6.005 -6.601 -3.216 408 1HG2 VAL 55 1HG2 VAL 55 -3.028 -8.032 -3.592 409 2HG2 VAL 55 2HG2 VAL 55 -4.445 -7.638 -2.590 410 3HG2 VAL 55 3HG2 VAL 55 -4.334 -9.226 -3.387 411 H ASP 56 H ASP 56 -7.882 -8.202 -5.855 412 HA ASP 56 HA ASP 56 -7.531 -7.520 -8.667 413 1HB ASP 56 2HB ASP 56 -9.564 -9.053 -7.161 414 2HB ASP 56 1HB ASP 56 -10.279 -7.840 -8.204 415 H ALA 57 H ALA 57 -7.109 -5.765 -6.251 416 HA ALA 57 HA ALA 57 -9.282 -4.186 -5.639 417 1HB ALA 57 1HB ALA 57 -7.368 -2.422 -5.300 418 2HB ALA 57 2HB ALA 57 -7.378 -3.901 -4.311 419 3HB ALA 57 3HB ALA 57 -6.291 -3.779 -5.715 420 HA PRO 58 HA PRO 58 -9.985 -1.835 -9.200 421 1HB PRO 58 2HB PRO 58 -11.093 0.439 -8.166 422 2HB PRO 58 1HB PRO 58 -11.990 -1.051 -8.384 423 1HG PRO 58 2HG PRO 58 -10.944 0.133 -5.885 424 2HG PRO 58 1HG PRO 58 -12.178 -1.095 -6.086 425 1HD PRO 58 2HD PRO 58 -9.460 -1.511 -5.271 426 2HD PRO 58 1HD PRO 58 -10.661 -2.748 -5.584 427 H VAL 59 H VAL 59 -9.299 -0.161 -10.611 428 HA VAL 59 HA VAL 59 -7.053 1.322 -9.432 429 HB VAL 59 HB VAL 59 -7.070 0.420 -12.289 430 1HG1 VAL 59 1HG1 VAL 59 -4.500 0.278 -11.335 431 2HG1 VAL 59 2HG1 VAL 59 -5.214 1.688 -12.153 432 3HG1 VAL 59 3HG1 VAL 59 -5.176 1.617 -10.375 433 1HG2 VAL 59 1HG2 VAL 59 -5.711 -1.580 -11.547 434 2HG2 VAL 59 2HG2 VAL 59 -6.286 -1.262 -9.893 435 3HG2 VAL 59 3HG2 VAL 59 -7.450 -1.659 -11.179 436 H SER 60 H SER 60 -10.150 1.539 -10.517 437 HA SER 60 HA SER 60 -9.634 3.986 -12.001 438 1HB SER 60 2HB SER 60 -12.376 3.495 -12.154 439 2HB SER 60 1HB SER 60 -11.192 3.109 -13.387 440 HG SER 60 HG SER 60 -11.419 1.018 -12.972 441 H GLU 61 H GLU 61 -9.097 5.102 -9.926 442 HA GLU 61 HA GLU 61 -9.634 6.559 -8.399 443 1HB GLU 61 2HB GLU 61 -11.567 7.163 -9.917 444 2HB GLU 61 1HB GLU 61 -12.574 6.044 -9.020 445 1HG GLU 61 2HG GLU 61 -12.289 7.322 -6.957 446 2HG GLU 61 1HG GLU 61 -11.064 8.338 -7.691 447 H PHE 62 H PHE 62 -8.999 3.966 -7.638 448 HA PHE 62 HA PHE 62 -10.783 2.607 -6.071 449 1HB PHE 62 2HB PHE 62 -8.565 1.964 -4.846 450 2HB PHE 62 1HB PHE 62 -8.593 1.694 -6.577 451 HD1 PHE 62 1HD PHE 62 -7.684 4.380 -4.145 452 HD2 PHE 62 2HD PHE 62 -6.799 2.445 -7.817 453 HE1 PHE 62 1HE PHE 62 -5.632 5.802 -4.401 454 HE2 PHE 62 2HE PHE 62 -4.748 3.867 -8.072 455 HZ PHE 62 HZ PHE 62 -4.188 5.529 -6.362 456 H ASP 63 H ASP 63 -10.077 2.347 -3.488 457 HA ASP 63 HA ASP 63 -11.047 4.795 -2.403 458 1HB ASP 63 2HB ASP 63 -11.881 2.648 -1.547 459 2HB ASP 63 1HB ASP 63 -10.254 2.124 -1.155 460 H ARG 64 H ARG 64 -9.207 6.256 -2.719 461 HA ARG 64 HA ARG 64 -6.622 5.713 -2.230 462 1HB ARG 64 2HB ARG 64 -8.295 8.224 -1.982 463 2HB ARG 64 1HB ARG 64 -6.621 8.288 -1.467 464 1HG ARG 64 2HG ARG 64 -7.185 7.025 -4.140 465 2HG ARG 64 1HG ARG 64 -7.368 8.764 -4.024 466 1HD ARG 64 2HD ARG 64 -4.859 7.234 -3.181 467 2HD ARG 64 1HD ARG 64 -5.048 8.058 -4.716 468 HE ARG 64 HE ARG 64 -4.651 9.318 -2.083 469 1HH1 ARG 64 2HH2 ARG 64 -5.624 9.785 -5.432 470 2HH1 ARG 64 1HH2 ARG 64 -5.333 11.493 -5.412 471 1HH2 ARG 64 2HH1 ARG 64 -4.266 11.570 -2.056 472 2HH2 ARG 64 1HH1 ARG 64 -4.556 12.515 -3.478 473 H LYS 65 H LYS 65 -9.237 6.451 0.100 474 HA LYS 65 HA LYS 65 -7.644 6.984 2.324 475 1HB LYS 65 2HB LYS 65 -9.811 7.613 2.665 476 2HB LYS 65 1HB LYS 65 -10.479 6.238 1.808 477 1HG LYS 65 2HG LYS 65 -10.436 4.863 3.676 478 2HG LYS 65 1HG LYS 65 -8.982 5.597 4.323 479 1HD LYS 65 2HD LYS 65 -11.165 7.546 4.268 480 2HD LYS 65 1HD LYS 65 -11.660 6.101 5.126 481 1HE LYS 65 2HE LYS 65 -9.931 6.305 6.745 482 2HE LYS 65 1HE LYS 65 -8.953 7.334 5.718 483 1HZ LYS 65 1HZ LYS 65 -11.370 8.038 7.195 484 2HZ LYS 65 2HZ LYS 65 -9.911 8.769 7.216 485 3HZ LYS 65 3HZ LYS 65 -10.892 8.941 5.921 486 H GLU 66 H GLU 66 -8.547 3.973 0.680 487 HA GLU 66 HA GLU 66 -7.621 2.406 2.898 488 1HB GLU 66 2HB GLU 66 -9.518 1.537 1.675 489 2HB GLU 66 1HB GLU 66 -8.696 1.708 0.136 490 1HG GLU 66 2HG GLU 66 -7.100 -0.051 0.703 491 2HG GLU 66 1HG GLU 66 -7.664 -0.107 2.362 492 H TRP 67 H TRP 67 -6.415 3.778 -0.113 493 HA TRP 67 HA TRP 67 -3.998 2.126 0.115 494 1HB TRP 67 2HB TRP 67 -4.815 3.813 -2.246 495 2HB TRP 67 1HB TRP 67 -3.570 2.582 -2.172 496 HD1 TRP 67 HD TRP 67 -7.294 2.976 -2.782 497 HE1 TRP 67 1HE TRP 67 -8.447 0.686 -3.407 498 HE3 TRP 67 3HE TRP 67 -3.311 0.046 -1.598 499 HZ2 TRP 67 2HZ TRP 67 -7.583 -2.032 -3.339 500 HZ3 TRP 67 3HZ TRP 67 -3.549 -2.417 -1.906 501 HH2 TRP 67 HH TRP 67 -5.592 -3.463 -2.743 502 H ASP 68 H ASP 68 -4.889 4.486 1.819 503 HA ASP 68 HA ASP 68 -3.019 6.502 0.936 504 1HB ASP 68 2HB ASP 68 -4.949 7.579 1.684 505 2HB ASP 68 1HB ASP 68 -5.302 6.349 2.882 506 H THR 69 H THR 69 -3.657 4.063 3.487 507 HA THR 69 HA THR 69 -1.009 4.662 4.636 508 HB THR 69 HB THR 69 -2.041 3.855 6.803 509 HG1 THR 69 1HG THR 69 -4.191 3.194 6.670 510 1HG2 THR 69 1HG2 THR 69 -3.197 5.855 7.316 511 2HG2 THR 69 2HG2 THR 69 -2.209 6.366 5.926 512 3HG2 THR 69 3HG2 THR 69 -3.926 5.958 5.696 513 HA PRO 70 HA PRO 70 0.035 0.570 3.896 514 1HB PRO 70 2HB PRO 70 1.727 -0.030 5.956 515 2HB PRO 70 1HB PRO 70 2.215 0.905 4.557 516 1HG PRO 70 2HG PRO 70 1.635 1.840 7.301 517 2HG PRO 70 1HG PRO 70 2.515 2.658 6.026 518 1HD PRO 70 2HD PRO 70 -0.171 3.196 6.873 519 2HD PRO 70 1HD PRO 70 0.669 3.933 5.524 520 H ASN 71 H ASN 71 -1.442 1.286 6.912 521 HA ASN 71 HA ASN 71 -1.780 -1.396 7.660 522 1HB ASN 71 2HB ASN 71 -2.013 0.142 9.449 523 2HB ASN 71 1HB ASN 71 -2.955 1.269 8.494 524 1HD2 ASN 71 1HD2 ASN 71 -4.710 1.472 9.735 525 2HD2 ASN 71 2HD2 ASN 71 -5.815 0.201 10.139 526 H LYS 72 H LYS 72 -3.889 1.148 6.135 527 HA LYS 72 HA LYS 72 -6.165 -0.442 5.882 528 1HB LYS 72 2HB LYS 72 -5.217 2.173 4.968 529 2HB LYS 72 1HB LYS 72 -6.263 1.394 3.798 530 1HG LYS 72 2HG LYS 72 -8.116 1.586 5.133 531 2HG LYS 72 1HG LYS 72 -7.244 1.122 6.580 532 1HD LYS 72 2HD LYS 72 -6.582 3.319 7.066 533 2HD LYS 72 1HD LYS 72 -6.635 3.823 5.387 534 1HE LYS 72 2HE LYS 72 -8.524 4.877 6.424 535 2HE LYS 72 1HE LYS 72 -9.189 3.548 5.494 536 1HZ LYS 72 1HZ LYS 72 -8.554 3.397 8.359 537 2HZ LYS 72 2HZ LYS 72 -10.046 3.666 7.754 538 3HZ LYS 72 3HZ LYS 72 -9.295 2.243 7.472 539 H ILE 73 H ILE 73 -3.185 -0.170 3.958 540 HA ILE 73 HA ILE 73 -4.288 -1.632 1.754 541 HB ILE 73 HB ILE 73 -1.571 -0.585 2.487 542 1HG1 ILE 73 2HG1 ILE 73 -3.631 0.058 0.372 543 2HG1 ILE 73 1HG1 ILE 73 -3.032 1.094 1.652 544 1HG2 ILE 73 1HG2 ILE 73 -2.216 -2.258 0.044 545 2HG2 ILE 73 2HG2 ILE 73 -0.670 -1.457 0.412 546 3HG2 ILE 73 3HG2 ILE 73 -1.246 -2.792 1.439 547 1HD1 ILE 73 1HD1 ILE 73 -0.717 0.932 0.595 548 2HD1 ILE 73 2HD1 ILE 73 -1.482 0.094 -0.775 549 3HD1 ILE 73 3HD1 ILE 73 -1.933 1.773 -0.395 550 H ILE 74 H ILE 74 -1.952 -2.296 4.447 551 HA ILE 74 HA ILE 74 -1.336 -4.878 3.832 552 HB ILE 74 HB ILE 74 -1.467 -3.245 6.294 553 1HG1 ILE 74 2HG1 ILE 74 0.677 -4.987 5.041 554 2HG1 ILE 74 1HG1 ILE 74 0.494 -3.261 4.802 555 1HG2 ILE 74 1HG2 ILE 74 -1.278 -6.267 6.369 556 2HG2 ILE 74 2HG2 ILE 74 -0.788 -5.191 7.700 557 3HG2 ILE 74 3HG2 ILE 74 -2.487 -5.233 7.168 558 1HD1 ILE 74 1HD1 ILE 74 1.280 -4.742 7.328 559 2HD1 ILE 74 2HD1 ILE 74 2.115 -3.395 6.517 560 3HD1 ILE 74 3HD1 ILE 74 0.609 -3.096 7.417 561 H ALA 75 H ALA 75 -4.362 -3.544 5.144 562 HA ALA 75 HA ALA 75 -5.392 -6.176 5.729 563 1HB ALA 75 1HB ALA 75 -5.853 -3.615 6.687 564 2HB ALA 75 2HB ALA 75 -7.275 -3.915 5.659 565 3HB ALA 75 3HB ALA 75 -6.884 -5.034 6.986 566 H LYS 76 H LYS 76 -5.395 -3.771 3.122 567 HA LYS 76 HA LYS 76 -7.626 -4.937 1.770 568 1HB LYS 76 2HB LYS 76 -6.968 -2.527 1.628 569 2HB LYS 76 1HB LYS 76 -5.536 -2.999 0.737 570 1HG LYS 76 2HG LYS 76 -7.488 -2.306 -0.727 571 2HG LYS 76 1HG LYS 76 -6.849 -3.896 -1.090 572 1HD LYS 76 2HD LYS 76 -8.685 -5.014 -0.071 573 2HD LYS 76 1HD LYS 76 -9.140 -3.613 0.876 574 1HE LYS 76 2HE LYS 76 -10.602 -3.003 -0.745 575 2HE LYS 76 1HE LYS 76 -9.267 -2.791 -1.861 576 1HZ LYS 76 1HZ LYS 76 -9.459 -5.355 -2.016 577 2HZ LYS 76 2HZ LYS 76 -10.988 -5.099 -1.502 578 3HZ LYS 76 3HZ LYS 76 -10.463 -4.402 -2.883 579 H VAL 77 H VAL 77 -4.300 -5.744 2.209 580 HA VAL 77 HA VAL 77 -4.067 -7.085 -0.340 581 HB VAL 77 HB VAL 77 -2.246 -7.062 2.076 582 1HG1 VAL 77 1HG1 VAL 77 -2.193 -8.705 -0.185 583 2HG1 VAL 77 2HG1 VAL 77 -0.994 -7.435 -0.527 584 3HG1 VAL 77 3HG1 VAL 77 -0.858 -8.411 0.955 585 1HG2 VAL 77 1HG2 VAL 77 -1.556 -5.016 1.511 586 2HG2 VAL 77 2HG2 VAL 77 -1.305 -5.513 -0.179 587 3HG2 VAL 77 3HG2 VAL 77 -2.902 -4.932 0.350 588 H GLU 78 H GLU 78 -4.556 -7.860 3.145 589 HA GLU 78 HA GLU 78 -4.634 -10.655 2.520 590 1HB GLU 78 2HB GLU 78 -5.159 -10.845 5.013 591 2HB GLU 78 1HB GLU 78 -3.614 -10.120 4.616 592 1HG GLU 78 2HG GLU 78 -4.188 -8.151 5.597 593 2HG GLU 78 1HG GLU 78 -5.694 -8.067 4.706 594 H GLN 79 H GLN 79 -6.797 -7.975 2.517 595 HA GLN 79 HA GLN 79 -9.073 -9.724 2.954 596 1HB GLN 79 2HB GLN 79 -8.926 -7.558 4.229 597 2HB GLN 79 1HB GLN 79 -8.990 -6.685 2.711 598 1HG GLN 79 2HG GLN 79 -11.251 -6.804 2.732 599 2HG GLN 79 1HG GLN 79 -11.164 -8.553 2.666 600 1HE2 GLN 79 1HE2 GLN 79 -11.482 -5.739 4.681 601 2HE2 GLN 79 2HE2 GLN 79 -11.978 -6.525 6.142 602 H ALA 80 H ALA 80 -7.215 -9.530 0.493 603 HA ALA 80 HA ALA 80 -9.314 -8.863 -1.455 604 1HB ALA 80 1HB ALA 80 -7.708 -7.412 -2.154 605 2HB ALA 80 2HB ALA 80 -6.411 -8.280 -1.298 606 3HB ALA 80 3HB ALA 80 -6.976 -8.863 -2.881 607 H GLN 81 H GLN 81 -6.801 -11.165 -0.354 608 HA GLN 81 HA GLN 81 -6.779 -12.897 -2.420 609 1HB GLN 81 2HB GLN 81 -6.727 -13.519 0.564 610 2HB GLN 81 1HB GLN 81 -6.266 -14.662 -0.682 611 1HG GLN 81 2HG GLN 81 -4.920 -12.018 0.007 612 2HG GLN 81 1HG GLN 81 -4.228 -13.625 0.093 613 1HE2 GLN 81 1HE2 GLN 81 -4.909 -10.896 -1.849 614 2HE2 GLN 81 2HE2 GLN 81 -4.220 -11.435 -3.343 Start of MODEL 10 1 H ALA 2 H ALA 2 -3.633 -13.844 8.622 2 HA ALA 2 HA ALA 2 -2.126 -15.376 9.522 3 1HB ALA 2 1HB ALA 2 -3.024 -16.632 6.904 4 2HB ALA 2 2HB ALA 2 -2.755 -17.439 8.468 5 3HB ALA 2 3HB ALA 2 -4.127 -16.322 8.265 6 H ASP 3 H ASP 3 -1.582 -15.257 5.923 7 HA ASP 3 HA ASP 3 0.978 -16.305 6.119 8 1HB ASP 3 2HB ASP 3 -0.665 -14.894 4.050 9 2HB ASP 3 1HB ASP 3 1.068 -14.848 3.793 10 H GLU 4 H GLU 4 2.913 -15.288 6.707 11 HA GLU 4 HA GLU 4 2.766 -12.426 7.121 12 1HB GLU 4 2HB GLU 4 3.841 -14.549 8.634 13 2HB GLU 4 1HB GLU 4 5.247 -13.723 7.993 14 1HG GLU 4 2HG GLU 4 4.865 -11.816 9.227 15 2HG GLU 4 1HG GLU 4 3.126 -11.902 9.021 16 H ALA 5 H ALA 5 3.708 -14.611 4.736 17 HA ALA 5 HA ALA 5 6.160 -13.359 3.960 18 1HB ALA 5 1HB ALA 5 6.336 -15.254 2.766 19 2HB ALA 5 2HB ALA 5 4.754 -15.754 3.412 20 3HB ALA 5 3HB ALA 5 4.847 -14.876 1.866 21 H ILE 6 H ILE 6 2.858 -12.497 3.814 22 HA ILE 6 HA ILE 6 3.193 -11.026 1.320 23 HB ILE 6 HB ILE 6 0.876 -11.873 3.005 24 1HG1 ILE 6 2HG1 ILE 6 1.229 -11.913 0.001 25 2HG1 ILE 6 1HG1 ILE 6 1.829 -13.192 1.040 26 1HG2 ILE 6 1HG2 ILE 6 -0.579 -10.404 1.552 27 2HG2 ILE 6 2HG2 ILE 6 0.372 -9.566 2.802 28 3HG2 ILE 6 3HG2 ILE 6 0.901 -9.523 1.103 29 1HD1 ILE 6 1HD1 ILE 6 -0.655 -13.239 -0.023 30 2HD1 ILE 6 2HD1 ILE 6 -0.289 -13.968 1.559 31 3HD1 ILE 6 3HD1 ILE 6 -1.017 -12.346 1.474 32 H LYS 7 H LYS 7 2.158 -10.451 4.758 33 HA LYS 7 HA LYS 7 2.103 -7.705 4.616 34 1HB LYS 7 2HB LYS 7 1.727 -9.659 6.558 35 2HB LYS 7 1HB LYS 7 3.082 -8.735 7.175 36 1HG LYS 7 2HG LYS 7 1.553 -6.652 6.419 37 2HG LYS 7 1HG LYS 7 0.265 -7.825 6.601 38 1HD LYS 7 2HD LYS 7 2.290 -7.665 8.822 39 2HD LYS 7 1HD LYS 7 1.170 -6.326 8.670 40 1HE LYS 7 2HE LYS 7 0.023 -7.810 10.114 41 2HE LYS 7 1HE LYS 7 -0.704 -8.144 8.555 42 1HZ LYS 7 1HZ LYS 7 -0.160 -10.219 9.170 43 2HZ LYS 7 2HZ LYS 7 1.274 -9.845 8.482 44 3HZ LYS 7 3HZ LYS 7 1.104 -9.773 10.105 45 H ASN 8 H ASN 8 4.849 -9.952 4.821 46 HA ASN 8 HA ASN 8 6.707 -8.019 5.617 47 1HB ASN 8 2HB ASN 8 6.838 -10.674 5.546 48 2HB ASN 8 1HB ASN 8 7.414 -10.436 3.908 49 1HD2 ASN 8 1HD2 ASN 8 8.694 -11.430 6.407 50 2HD2 ASN 8 2HD2 ASN 8 10.143 -10.502 6.614 51 H GLY 9 H GLY 9 5.960 -9.623 2.425 52 1HA GLY 9 2HA GLY 9 7.706 -8.084 0.861 53 2HA GLY 9 1HA GLY 9 6.315 -8.988 0.299 54 H VAL 10 H VAL 10 4.272 -7.616 1.870 55 HA VAL 10 HA VAL 10 3.731 -5.498 0.128 56 HB VAL 10 HB VAL 10 2.312 -7.032 1.825 57 1HG1 VAL 10 1HG1 VAL 10 1.610 -5.975 3.764 58 2HG1 VAL 10 2HG1 VAL 10 3.327 -5.507 3.705 59 3HG1 VAL 10 3HG1 VAL 10 2.072 -4.358 3.180 60 1HG2 VAL 10 1HG2 VAL 10 0.701 -6.158 0.558 61 2HG2 VAL 10 2HG2 VAL 10 0.794 -4.627 1.460 62 3HG2 VAL 10 3HG2 VAL 10 1.822 -4.880 0.029 63 H LEU 11 H LEU 11 5.442 -5.716 3.238 64 HA LEU 11 HA LEU 11 5.421 -2.865 3.607 65 1HB LEU 11 2HB LEU 11 5.515 -4.872 5.332 66 2HB LEU 11 1HB LEU 11 7.242 -4.707 5.089 67 HG LEU 11 HG LEU 11 7.272 -2.496 5.946 68 1HD1 LEU 11 1HD1 LEU 11 4.303 -2.567 5.510 69 2HD1 LEU 11 2HD1 LEU 11 5.004 -1.470 6.725 70 3HD1 LEU 11 3HD1 LEU 11 5.499 -1.343 5.020 71 1HD2 LEU 11 1HD2 LEU 11 5.342 -3.347 7.952 72 2HD2 LEU 11 2HD2 LEU 11 6.438 -4.664 7.468 73 3HD2 LEU 11 3HD2 LEU 11 7.104 -3.128 8.072 74 H ASP 12 H ASP 12 7.624 -5.410 2.361 75 HA ASP 12 HA ASP 12 9.851 -3.757 2.186 76 1HB ASP 12 2HB ASP 12 9.417 -6.408 1.847 77 2HB ASP 12 1HB ASP 12 9.396 -5.939 0.159 78 H ILE 13 H ILE 13 6.909 -4.141 0.282 79 HA ILE 13 HA ILE 13 8.078 -2.799 -2.022 80 HB ILE 13 HB ILE 13 5.692 -4.464 -1.486 81 1HG1 ILE 13 2HG1 ILE 13 6.816 -4.408 -4.180 82 2HG1 ILE 13 1HG1 ILE 13 8.049 -4.675 -2.964 83 1HG2 ILE 13 1HG2 ILE 13 4.578 -2.434 -2.173 84 2HG2 ILE 13 2HG2 ILE 13 5.673 -2.261 -3.566 85 3HG2 ILE 13 3HG2 ILE 13 4.526 -3.620 -3.499 86 1HD1 ILE 13 1HD1 ILE 13 6.404 -6.642 -3.993 87 2HD1 ILE 13 2HD1 ILE 13 7.255 -6.752 -2.433 88 3HD1 ILE 13 3HD1 ILE 13 5.558 -6.217 -2.485 89 H LEU 14 H LEU 14 6.534 -2.085 0.955 90 HA LEU 14 HA LEU 14 5.208 0.280 -0.053 91 1HB LEU 14 2HB LEU 14 5.358 -1.170 2.554 92 2HB LEU 14 1HB LEU 14 4.906 0.523 2.556 93 HG LEU 14 HG LEU 14 3.477 -1.421 0.755 94 1HD1 LEU 14 1HD1 LEU 14 2.258 -2.379 2.380 95 2HD1 LEU 14 2HD1 LEU 14 3.639 -1.950 3.419 96 3HD1 LEU 14 3HD1 LEU 14 2.205 -0.897 3.365 97 1HD2 LEU 14 1HD2 LEU 14 3.285 1.207 0.784 98 2HD2 LEU 14 2HD2 LEU 14 1.847 0.180 0.576 99 3HD2 LEU 14 3HD2 LEU 14 2.208 0.893 2.166 100 H ALA 15 H ALA 15 8.002 -0.608 2.070 101 HA ALA 15 HA ALA 15 8.767 2.076 2.503 102 1HB ALA 15 1HB ALA 15 9.809 -0.661 3.039 103 2HB ALA 15 2HB ALA 15 11.027 0.636 2.965 104 3HB ALA 15 3HB ALA 15 9.677 0.746 4.121 105 H ASP 16 H ASP 16 9.316 -0.313 -0.062 106 HA ASP 16 HA ASP 16 11.558 1.009 -1.132 107 1HB ASP 16 2HB ASP 16 9.803 -1.276 -1.808 108 2HB ASP 16 1HB ASP 16 10.357 -0.415 -3.230 109 H LEU 17 H LEU 17 8.001 1.139 -1.507 110 HA LEU 17 HA LEU 17 7.943 2.569 -3.925 111 1HB LEU 17 2HB LEU 17 6.121 1.431 -2.115 112 2HB LEU 17 1HB LEU 17 5.709 3.132 -2.184 113 HG LEU 17 HG LEU 17 5.920 2.674 -4.820 114 1HD1 LEU 17 1HD1 LEU 17 6.536 0.383 -4.763 115 2HD1 LEU 17 2HD1 LEU 17 5.238 -0.013 -3.611 116 3HD1 LEU 17 3HD1 LEU 17 4.834 0.443 -5.284 117 1HD2 LEU 17 1HD2 LEU 17 3.988 3.602 -3.545 118 2HD2 LEU 17 2HD2 LEU 17 3.528 2.552 -4.906 119 3HD2 LEU 17 3HD2 LEU 17 3.445 1.934 -3.239 120 H THR 18 H THR 18 7.595 3.665 -0.475 121 HA THR 18 HA THR 18 7.580 6.399 -1.133 122 HB THR 18 HB THR 18 7.757 6.667 1.290 123 HG1 THR 18 1HG THR 18 8.520 4.731 2.485 124 1HG2 THR 18 1HG2 THR 18 5.813 5.566 1.801 125 2HG2 THR 18 2HG2 THR 18 5.883 4.886 0.157 126 3HG2 THR 18 3HG2 THR 18 6.571 3.979 1.525 127 H GLY 19 H GLY 19 10.192 4.042 -0.719 128 1HA GLY 19 2HA GLY 19 12.324 4.326 -1.545 129 2HA GLY 19 1HA GLY 19 12.071 6.055 -1.666 130 H SER 20 H SER 20 10.892 4.969 1.348 131 HA SER 20 HA SER 20 13.480 5.194 2.614 132 1HB SER 20 2HB SER 20 12.140 7.483 2.413 133 2HB SER 20 1HB SER 20 11.200 6.830 3.740 134 HG SER 20 HG SER 20 12.770 7.580 4.985 135 H ASP 21 H ASP 21 12.998 4.955 5.209 136 HA ASP 21 HA ASP 21 11.175 2.691 5.347 137 1HB ASP 21 2HB ASP 21 13.848 3.276 6.441 138 2HB ASP 21 1HB ASP 21 12.742 2.749 7.694 139 H ASP 22 H ASP 22 9.337 4.251 5.682 140 HA ASP 22 HA ASP 22 9.389 5.311 8.397 141 1HB ASP 22 2HB ASP 22 9.225 6.833 6.093 142 2HB ASP 22 1HB ASP 22 7.528 6.577 6.441 143 H VAL 23 H VAL 23 7.463 4.086 5.584 144 HA VAL 23 HA VAL 23 5.106 3.707 7.165 145 HB VAL 23 HB VAL 23 4.178 2.795 5.141 146 1HG1 VAL 23 1HG1 VAL 23 5.869 5.277 4.839 147 2HG1 VAL 23 2HG1 VAL 23 4.818 4.705 3.522 148 3HG1 VAL 23 3HG1 VAL 23 4.115 5.137 5.099 149 1HG2 VAL 23 1HG2 VAL 23 5.566 2.550 3.082 150 2HG2 VAL 23 2HG2 VAL 23 7.019 2.826 4.073 151 3HG2 VAL 23 3HG2 VAL 23 5.997 1.399 4.371 152 H LYS 24 H LYS 24 8.093 2.083 6.833 153 HA LYS 24 HA LYS 24 7.134 -0.583 6.986 154 1HB LYS 24 2HB LYS 24 9.312 -0.134 6.068 155 2HB LYS 24 1HB LYS 24 9.832 0.681 7.529 156 1HG LYS 24 2HG LYS 24 8.814 -2.109 7.900 157 2HG LYS 24 1HG LYS 24 10.315 -1.966 7.009 158 1HD LYS 24 2HD LYS 24 11.409 -0.815 8.835 159 2HD LYS 24 1HD LYS 24 9.892 -0.547 9.670 160 1HE LYS 24 2HE LYS 24 9.884 -3.306 9.424 161 2HE LYS 24 1HE LYS 24 11.600 -2.987 9.584 162 1HZ LYS 24 1HZ LYS 24 11.178 -2.843 11.732 163 2HZ LYS 24 2HZ LYS 24 10.462 -1.402 11.452 164 3HZ LYS 24 3HZ LYS 24 9.559 -2.761 11.530 165 H LYS 25 H LYS 25 7.952 1.992 9.327 166 HA LYS 25 HA LYS 25 7.472 0.125 11.513 167 1HB LYS 25 2HB LYS 25 8.403 1.827 12.941 168 2HB LYS 25 1HB LYS 25 9.477 1.570 11.581 169 1HG LYS 25 2HG LYS 25 9.386 3.902 11.606 170 2HG LYS 25 1HG LYS 25 8.100 3.550 10.467 171 1HD LYS 25 2HD LYS 25 6.570 4.532 11.820 172 2HD LYS 25 1HD LYS 25 6.988 3.453 13.136 173 1HE LYS 25 2HE LYS 25 9.132 5.113 13.286 174 2HE LYS 25 1HE LYS 25 7.993 6.229 12.562 175 1HZ LYS 25 1HZ LYS 25 7.114 4.648 14.834 176 2HZ LYS 25 2HZ LYS 25 8.099 5.921 15.110 177 3HZ LYS 25 3HZ LYS 25 6.657 6.148 14.379 178 H ASN 26 H ASN 26 6.241 3.198 10.069 179 HA ASN 26 HA ASN 26 4.159 3.387 11.956 180 1HB ASN 26 2HB ASN 26 5.264 4.991 9.856 181 2HB ASN 26 1HB ASN 26 3.581 4.748 9.427 182 1HD2 ASN 26 1HD2 ASN 26 2.215 6.156 10.192 183 2HD2 ASN 26 2HD2 ASN 26 2.366 7.097 11.638 184 H LEU 27 H LEU 27 1.842 2.998 11.528 185 HA LEU 27 HA LEU 27 1.345 1.314 9.175 186 1HB LEU 27 2HB LEU 27 0.264 0.852 11.957 187 2HB LEU 27 1HB LEU 27 -0.098 -0.096 10.529 188 HG LEU 27 HG LEU 27 2.762 0.164 11.376 189 1HD1 LEU 27 1HD1 LEU 27 2.352 -0.612 13.424 190 2HD1 LEU 27 2HD1 LEU 27 0.652 -0.969 13.041 191 3HD1 LEU 27 3HD1 LEU 27 1.921 -2.151 12.640 192 1HD2 LEU 27 1HD2 LEU 27 2.278 -2.443 10.674 193 2HD2 LEU 27 2HD2 LEU 27 1.136 -1.553 9.639 194 3HD2 LEU 27 3HD2 LEU 27 2.872 -1.168 9.583 195 H ASP 28 H ASP 28 1.027 4.251 9.687 196 HA ASP 28 HA ASP 28 -1.611 4.404 8.707 197 1HB ASP 28 2HB ASP 28 -1.288 4.615 11.535 198 2HB ASP 28 1HB ASP 28 -1.522 6.254 10.965 199 H LEU 29 H LEU 29 1.213 5.095 8.018 200 HA LEU 29 HA LEU 29 1.337 7.975 8.297 201 1HB LEU 29 2HB LEU 29 3.318 6.544 8.632 202 2HB LEU 29 1HB LEU 29 3.218 6.023 6.961 203 HG LEU 29 HG LEU 29 3.382 8.592 6.432 204 1HD1 LEU 29 1HD1 LEU 29 3.738 8.552 9.297 205 2HD1 LEU 29 2HD1 LEU 29 5.194 9.190 8.493 206 3HD1 LEU 29 3HD1 LEU 29 3.606 9.936 8.183 207 1HD2 LEU 29 1HD2 LEU 29 5.659 8.333 6.001 208 2HD2 LEU 29 2HD2 LEU 29 5.910 7.283 7.417 209 3HD2 LEU 29 3HD2 LEU 29 5.035 6.666 5.995 210 H ASN 30 H ASN 30 -0.238 8.940 7.051 211 HA ASN 30 HA ASN 30 -1.397 8.143 4.843 212 1HB ASN 30 2HB ASN 30 -0.710 10.754 5.996 213 2HB ASN 30 1HB ASN 30 -0.759 10.860 4.249 214 1HD2 ASN 30 1HD2 ASN 30 -2.562 8.962 6.667 215 2HD2 ASN 30 2HD2 ASN 30 -4.154 9.444 6.183 216 H LEU 31 H LEU 31 -0.568 7.279 2.935 217 HA LEU 31 HA LEU 31 2.134 7.840 2.173 218 1HB LEU 31 2HB LEU 31 0.017 6.278 0.692 219 2HB LEU 31 1HB LEU 31 1.749 6.228 0.427 220 HG LEU 31 HG LEU 31 0.798 5.531 3.163 221 1HD1 LEU 31 1HD1 LEU 31 -0.821 4.458 1.517 222 2HD1 LEU 31 2HD1 LEU 31 0.561 3.492 0.949 223 3HD1 LEU 31 3HD1 LEU 31 0.025 3.369 2.642 224 1HD2 LEU 31 1HD2 LEU 31 3.164 5.501 2.696 225 2HD2 LEU 31 2HD2 LEU 31 2.593 3.835 2.951 226 3HD2 LEU 31 3HD2 LEU 31 2.916 4.421 1.302 227 H PHE 32 H PHE 32 -0.626 9.657 1.985 228 HA PHE 32 HA PHE 32 0.149 10.753 -0.627 229 1HB PHE 32 2HB PHE 32 -2.411 10.180 0.830 230 2HB PHE 32 1HB PHE 32 -2.372 11.768 0.087 231 HD1 PHE 32 1HD PHE 32 -2.592 8.198 -0.496 232 HD2 PHE 32 2HD PHE 32 -2.123 11.976 -2.372 233 HE1 PHE 32 1HE PHE 32 -3.205 7.178 -2.706 234 HE2 PHE 32 2HE PHE 32 -2.737 10.955 -4.581 235 HZ PHE 32 HZ PHE 32 -3.270 8.568 -4.722 236 H GLU 33 H GLU 33 -1.287 11.678 2.587 237 HA GLU 33 HA GLU 33 -0.763 14.382 2.246 238 1HB GLU 33 2HB GLU 33 -2.114 12.814 4.093 239 2HB GLU 33 1HB GLU 33 -0.761 13.394 5.042 240 1HG GLU 33 2HG GLU 33 -2.008 15.280 5.346 241 2HG GLU 33 1HG GLU 33 -1.515 15.707 3.721 242 H THR 34 H THR 34 1.341 11.721 2.855 243 HA THR 34 HA THR 34 3.331 13.370 4.208 244 HB THR 34 HB THR 34 3.328 10.414 3.398 245 HG1 THR 34 1HG THR 34 1.940 10.379 5.119 246 1HG2 THR 34 1HG2 THR 34 5.473 11.960 4.291 247 2HG2 THR 34 2HG2 THR 34 4.780 11.353 5.814 248 3HG2 THR 34 3HG2 THR 34 5.307 10.209 4.557 249 H GLY 35 H GLY 35 2.356 12.501 1.017 250 1HA GLY 35 2HA GLY 35 3.247 13.290 -0.929 251 2HA GLY 35 1HA GLY 35 4.653 13.880 -0.066 252 H LEU 36 H LEU 36 4.422 10.841 1.152 253 HA LEU 36 HA LEU 36 6.627 9.851 -0.154 254 1HB LEU 36 2HB LEU 36 4.430 8.610 1.465 255 2HB LEU 36 1HB LEU 36 5.652 7.599 0.721 256 HG LEU 36 HG LEU 36 6.095 9.788 2.767 257 1HD1 LEU 36 1HD1 LEU 36 6.755 6.851 3.008 258 2HD1 LEU 36 2HD1 LEU 36 6.676 8.085 4.288 259 3HD1 LEU 36 3HD1 LEU 36 5.183 7.528 3.495 260 1HD2 LEU 36 1HD2 LEU 36 8.494 8.443 2.494 261 2HD2 LEU 36 2HD2 LEU 36 7.938 8.638 0.814 262 3HD2 LEU 36 3HD2 LEU 36 8.114 10.064 1.864 263 H LEU 37 H LEU 37 3.153 9.619 -0.983 264 HA LEU 37 HA LEU 37 3.969 8.217 -3.433 265 1HB LEU 37 2HB LEU 37 2.307 7.247 -1.539 266 2HB LEU 37 1HB LEU 37 1.150 8.101 -2.540 267 HG LEU 37 HG LEU 37 3.069 6.327 -3.961 268 1HD1 LEU 37 1HD1 LEU 37 0.997 5.313 -2.026 269 2HD1 LEU 37 2HD1 LEU 37 1.458 4.377 -3.468 270 3HD1 LEU 37 3HD1 LEU 37 2.686 4.796 -2.249 271 1HD2 LEU 37 1HD2 LEU 37 0.579 7.637 -4.475 272 2HD2 LEU 37 2HD2 LEU 37 1.624 6.726 -5.591 273 3HD2 LEU 37 3HD2 LEU 37 0.358 5.881 -4.669 274 H ASP 38 H ASP 38 2.512 8.736 -5.353 275 HA ASP 38 HA ASP 38 1.752 11.545 -5.170 276 1HB ASP 38 2HB ASP 38 3.730 10.364 -6.796 277 2HB ASP 38 1HB ASP 38 2.366 10.559 -7.878 278 H SER 39 H SER 39 1.437 8.626 -7.348 279 HA SER 39 HA SER 39 -1.255 8.289 -6.955 280 1HB SER 39 2HB SER 39 -2.220 9.196 -9.052 281 2HB SER 39 1HB SER 39 -1.579 10.471 -8.036 282 HG SER 39 HG SER 39 -0.243 11.021 -9.608 283 H MET 40 H MET 40 1.388 8.322 -9.422 284 HA MET 40 HA MET 40 0.432 6.062 -10.775 285 1HB MET 40 2HB MET 40 2.452 8.009 -11.097 286 2HB MET 40 1HB MET 40 3.364 6.531 -10.868 287 1HG MET 40 2HG MET 40 3.035 6.349 -13.151 288 2HG MET 40 1HG MET 40 1.548 5.579 -12.634 289 1HE MET 40 1HE MET 40 -1.151 7.611 -12.865 290 2HE MET 40 2HE MET 40 -0.809 6.962 -14.486 291 3HE MET 40 3HE MET 40 -0.379 6.017 -13.042 292 H GLY 41 H GLY 41 2.519 6.569 -7.939 293 1HA GLY 41 2HA GLY 41 3.865 4.143 -7.838 294 2HA GLY 41 1HA GLY 41 3.418 5.133 -6.464 295 H THR 42 H THR 42 0.614 5.066 -6.503 296 HA THR 42 HA THR 42 0.029 2.739 -5.180 297 HB THR 42 HB THR 42 -1.356 5.082 -6.285 298 HG1 THR 42 1HG THR 42 -2.484 4.607 -4.232 299 1HG2 THR 42 1HG2 THR 42 -2.628 3.267 -7.543 300 2HG2 THR 42 2HG2 THR 42 -2.963 2.493 -5.976 301 3HG2 THR 42 3HG2 THR 42 -3.613 4.112 -6.326 302 H VAL 43 H VAL 43 -0.467 3.453 -8.690 303 HA VAL 43 HA VAL 43 -1.724 1.093 -9.343 304 HB VAL 43 HB VAL 43 0.120 2.942 -10.844 305 1HG1 VAL 43 1HG1 VAL 43 -1.207 1.595 -12.819 306 2HG1 VAL 43 2HG1 VAL 43 0.461 1.252 -12.300 307 3HG1 VAL 43 3HG1 VAL 43 -0.889 0.287 -11.654 308 1HG2 VAL 43 1HG2 VAL 43 -2.011 3.557 -11.995 309 2HG2 VAL 43 2HG2 VAL 43 -2.881 2.487 -10.870 310 3HG2 VAL 43 3HG2 VAL 43 -2.010 3.910 -10.250 311 H GLN 44 H GLN 44 1.822 1.811 -9.748 312 HA GLN 44 HA GLN 44 2.642 -0.630 -10.442 313 1HB GLN 44 2HB GLN 44 4.115 1.346 -10.273 314 2HB GLN 44 1HB GLN 44 4.037 1.287 -8.523 315 1HG GLN 44 2HG GLN 44 5.396 -0.616 -8.378 316 2HG GLN 44 1HG GLN 44 4.924 -1.210 -9.958 317 1HE2 GLN 44 1HE2 GLN 44 6.863 1.124 -8.204 318 2HE2 GLN 44 2HE2 GLN 44 7.998 1.492 -9.459 319 H LEU 45 H LEU 45 2.462 0.548 -7.000 320 HA LEU 45 HA LEU 45 3.186 -1.772 -5.763 321 1HB LEU 45 2HB LEU 45 2.868 -0.482 -4.015 322 2HB LEU 45 1HB LEU 45 2.137 0.725 -5.055 323 HG LEU 45 HG LEU 45 -0.060 -0.630 -4.707 324 1HD1 LEU 45 1HD1 LEU 45 1.465 -2.426 -3.456 325 2HD1 LEU 45 2HD1 LEU 45 1.064 -1.398 -2.058 326 3HD1 LEU 45 3HD1 LEU 45 -0.237 -2.141 -3.018 327 1HD2 LEU 45 1HD2 LEU 45 -0.683 1.033 -3.342 328 2HD2 LEU 45 2HD2 LEU 45 0.581 0.662 -2.144 329 3HD2 LEU 45 3HD2 LEU 45 0.975 1.636 -3.581 330 H LEU 46 H LEU 46 -0.075 -0.793 -6.968 331 HA LEU 46 HA LEU 46 -1.404 -3.054 -5.993 332 1HB LEU 46 2HB LEU 46 -3.127 -1.886 -6.695 333 2HB LEU 46 1HB LEU 46 -2.025 -0.703 -7.372 334 HG LEU 46 HG LEU 46 -1.993 -2.154 -9.484 335 1HD1 LEU 46 1HD1 LEU 46 -3.135 -4.051 -9.581 336 2HD1 LEU 46 2HD1 LEU 46 -3.518 -3.870 -7.852 337 3HD1 LEU 46 3HD1 LEU 46 -4.633 -3.228 -9.082 338 1HD2 LEU 46 1HD2 LEU 46 -4.763 -1.154 -9.173 339 2HD2 LEU 46 2HD2 LEU 46 -3.464 0.002 -8.794 340 3HD2 LEU 46 3HD2 LEU 46 -3.526 -0.774 -10.395 341 H LEU 47 H LEU 47 0.748 -2.524 -8.734 342 HA LEU 47 HA LEU 47 -0.128 -4.773 -10.224 343 1HB LEU 47 2HB LEU 47 1.490 -2.582 -10.650 344 2HB LEU 47 1HB LEU 47 2.639 -3.904 -10.605 345 HG LEU 47 HG LEU 47 1.823 -3.327 -12.884 346 1HD1 LEU 47 1HD1 LEU 47 2.692 -5.607 -12.185 347 2HD1 LEU 47 2HD1 LEU 47 0.992 -6.134 -12.138 348 3HD1 LEU 47 3HD1 LEU 47 1.701 -5.552 -13.663 349 1HD2 LEU 47 1HD2 LEU 47 -0.536 -2.816 -12.091 350 2HD2 LEU 47 2HD2 LEU 47 -0.383 -3.736 -13.607 351 3HD2 LEU 47 3HD2 LEU 47 -0.812 -4.576 -12.098 352 H GLU 48 H GLU 48 2.301 -4.180 -7.656 353 HA GLU 48 HA GLU 48 3.384 -6.789 -7.925 354 1HB GLU 48 2HB GLU 48 4.093 -4.358 -6.615 355 2HB GLU 48 1HB GLU 48 3.940 -5.559 -5.349 356 1HG GLU 48 2HG GLU 48 6.246 -5.524 -6.257 357 2HG GLU 48 1HG GLU 48 5.486 -7.075 -6.546 358 H LEU 49 H LEU 49 0.692 -5.291 -6.236 359 HA LEU 49 HA LEU 49 0.489 -7.409 -4.292 360 1HB LEU 49 2HB LEU 49 -1.392 -5.137 -4.946 361 2HB LEU 49 1HB LEU 49 -1.508 -6.210 -3.565 362 HG LEU 49 HG LEU 49 0.155 -3.830 -3.975 363 1HD1 LEU 49 1HD1 LEU 49 -0.083 -3.591 -1.622 364 2HD1 LEU 49 2HD1 LEU 49 -1.642 -4.181 -2.245 365 3HD1 LEU 49 3HD1 LEU 49 -0.531 -5.302 -1.423 366 1HD2 LEU 49 1HD2 LEU 49 2.020 -5.249 -4.187 367 2HD2 LEU 49 2HD2 LEU 49 2.001 -4.750 -2.479 368 3HD2 LEU 49 3HD2 LEU 49 1.420 -6.369 -2.939 369 H GLN 50 H GLN 50 -0.744 -6.570 -7.506 370 HA GLN 50 HA GLN 50 -2.764 -8.605 -7.321 371 1HB GLN 50 2HB GLN 50 -3.080 -6.372 -8.519 372 2HB GLN 50 1HB GLN 50 -1.969 -6.944 -9.747 373 1HG GLN 50 2HG GLN 50 -3.700 -9.089 -9.582 374 2HG GLN 50 1HG GLN 50 -4.785 -7.764 -9.207 375 1HE2 GLN 50 1HE2 GLN 50 -5.912 -7.971 -11.109 376 2HE2 GLN 50 2HE2 GLN 50 -5.291 -7.491 -12.652 377 H SER 51 H SER 51 0.391 -8.939 -7.370 378 HA SER 51 HA SER 51 0.328 -10.965 -9.468 379 1HB SER 51 2HB SER 51 1.948 -8.801 -9.550 380 2HB SER 51 1HB SER 51 2.954 -9.832 -8.550 381 HG SER 51 HG SER 51 3.554 -10.804 -10.351 382 H GLN 52 H GLN 52 1.843 -9.945 -6.328 383 HA GLN 52 HA GLN 52 2.516 -12.687 -5.792 384 1HB GLN 52 2HB GLN 52 2.902 -10.242 -4.013 385 2HB GLN 52 1HB GLN 52 3.680 -11.802 -3.828 386 1HG GLN 52 2HG GLN 52 4.051 -10.630 -6.527 387 2HG GLN 52 1HG GLN 52 4.716 -9.635 -5.246 388 1HE2 GLN 52 1HE2 GLN 52 6.708 -10.034 -4.693 389 2HE2 GLN 52 2HE2 GLN 52 7.562 -11.535 -4.832 390 H PHE 53 H PHE 53 0.143 -10.201 -4.851 391 HA PHE 53 HA PHE 53 -1.031 -12.143 -2.990 392 1HB PHE 53 2HB PHE 53 -1.594 -9.140 -3.206 393 2HB PHE 53 1HB PHE 53 -1.882 -10.173 -1.820 394 HD1 PHE 53 1HD PHE 53 0.942 -11.545 -2.110 395 HD2 PHE 53 2HD PHE 53 -0.374 -7.516 -1.889 396 HE1 PHE 53 1HE PHE 53 3.161 -10.872 -1.149 397 HE2 PHE 53 2HE PHE 53 1.844 -6.844 -0.927 398 HZ PHE 53 HZ PHE 53 3.586 -8.531 -0.569 399 H GLY 54 H GLY 54 -1.289 -10.910 -6.111 400 1HA GLY 54 2HA GLY 54 -2.989 -10.630 -7.581 401 2HA GLY 54 1HA GLY 54 -3.570 -12.121 -6.866 402 H VAL 55 H VAL 55 -3.310 -8.808 -5.412 403 HA VAL 55 HA VAL 55 -5.883 -9.021 -4.266 404 HB VAL 55 HB VAL 55 -3.924 -7.734 -3.395 405 1HG1 VAL 55 1HG1 VAL 55 -2.956 -6.543 -5.110 406 2HG1 VAL 55 2HG1 VAL 55 -4.520 -6.095 -5.834 407 3HG1 VAL 55 3HG1 VAL 55 -3.951 -5.271 -4.362 408 1HG2 VAL 55 1HG2 VAL 55 -6.594 -7.302 -3.059 409 2HG2 VAL 55 2HG2 VAL 55 -5.316 -6.462 -2.149 410 3HG2 VAL 55 3HG2 VAL 55 -6.052 -5.685 -3.572 411 H ASP 56 H ASP 56 -7.729 -7.539 -4.703 412 HA ASP 56 HA ASP 56 -8.043 -7.331 -7.565 413 1HB ASP 56 2HB ASP 56 -9.864 -7.457 -5.174 414 2HB ASP 56 1HB ASP 56 -10.466 -6.594 -6.575 415 H ALA 57 H ALA 57 -6.251 -5.424 -6.417 416 HA ALA 57 HA ALA 57 -7.432 -3.068 -5.535 417 1HB ALA 57 1HB ALA 57 -5.071 -2.514 -7.072 418 2HB ALA 57 2HB ALA 57 -5.248 -2.603 -5.302 419 3HB ALA 57 3HB ALA 57 -4.842 -4.066 -6.232 420 HA PRO 58 HA PRO 58 -9.314 -2.008 -9.366 421 1HB PRO 58 2HB PRO 58 -10.982 -0.082 -8.377 422 2HB PRO 58 1HB PRO 58 -11.405 -1.782 -8.427 423 1HG PRO 58 2HG PRO 58 -10.599 -0.140 -6.104 424 2HG PRO 58 1HG PRO 58 -11.420 -1.688 -6.122 425 1HD PRO 58 2HD PRO 58 -8.654 -1.220 -5.525 426 2HD PRO 58 1HD PRO 58 -9.449 -2.776 -5.657 427 H VAL 59 H VAL 59 -9.304 -0.292 -10.912 428 HA VAL 59 HA VAL 59 -7.484 1.842 -10.037 429 HB VAL 59 HB VAL 59 -7.504 0.852 -12.855 430 1HG1 VAL 59 1HG1 VAL 59 -4.917 1.428 -11.733 431 2HG1 VAL 59 2HG1 VAL 59 -5.792 2.270 -13.035 432 3HG1 VAL 59 3HG1 VAL 59 -6.043 2.750 -11.339 433 1HG2 VAL 59 1HG2 VAL 59 -6.581 -0.696 -10.505 434 2HG2 VAL 59 2HG2 VAL 59 -7.025 -1.240 -12.140 435 3HG2 VAL 59 3HG2 VAL 59 -5.411 -0.555 -11.838 436 H SER 60 H SER 60 -10.601 1.103 -10.775 437 HA SER 60 HA SER 60 -11.009 3.336 -12.554 438 1HB SER 60 2HB SER 60 -13.519 2.302 -11.812 439 2HB SER 60 1HB SER 60 -12.647 1.968 -13.295 440 HG SER 60 HG SER 60 -13.099 0.323 -11.100 441 H GLU 61 H GLU 61 -10.134 4.785 -10.714 442 HA GLU 61 HA GLU 61 -10.479 6.301 -9.199 443 1HB GLU 61 2HB GLU 61 -12.465 6.860 -10.631 444 2HB GLU 61 1HB GLU 61 -13.459 5.815 -9.635 445 1HG GLU 61 2HG GLU 61 -12.552 7.275 -7.626 446 2HG GLU 61 1HG GLU 61 -12.120 8.428 -8.872 447 H PHE 62 H PHE 62 -9.705 4.017 -8.070 448 HA PHE 62 HA PHE 62 -11.469 2.787 -6.307 449 1HB PHE 62 2HB PHE 62 -9.236 2.153 -5.191 450 2HB PHE 62 1HB PHE 62 -9.280 1.843 -6.915 451 HD1 PHE 62 1HD PHE 62 -7.531 2.602 -8.223 452 HD2 PHE 62 2HD PHE 62 -8.286 4.522 -4.515 453 HE1 PHE 62 1HE PHE 62 -5.468 3.999 -8.526 454 HE2 PHE 62 2HE PHE 62 -6.223 5.920 -4.819 455 HZ PHE 62 HZ PHE 62 -4.839 5.641 -6.821 456 H ASP 63 H ASP 63 -10.347 2.845 -3.762 457 HA ASP 63 HA ASP 63 -11.164 5.500 -2.952 458 1HB ASP 63 2HB ASP 63 -10.746 3.967 -0.641 459 2HB ASP 63 1HB ASP 63 -12.292 4.277 -1.408 460 H ARG 64 H ARG 64 -9.299 6.826 -3.009 461 HA ARG 64 HA ARG 64 -6.745 5.937 -2.648 462 1HB ARG 64 2HB ARG 64 -8.149 8.573 -2.608 463 2HB ARG 64 1HB ARG 64 -6.611 8.563 -1.767 464 1HG ARG 64 2HG ARG 64 -5.559 7.515 -3.834 465 2HG ARG 64 1HG ARG 64 -7.092 7.712 -4.661 466 1HD ARG 64 2HD ARG 64 -5.418 9.588 -5.076 467 2HD ARG 64 1HD ARG 64 -6.985 10.126 -4.503 468 HE ARG 64 HE ARG 64 -5.077 9.628 -2.335 469 1HH1 ARG 64 2HH2 ARG 64 -6.243 11.999 -4.659 470 2HH1 ARG 64 1HH2 ARG 64 -5.699 13.360 -3.736 471 1HH2 ARG 64 2HH1 ARG 64 -4.361 11.424 -1.116 472 2HH2 ARG 64 1HH1 ARG 64 -4.622 13.031 -1.706 473 H LYS 65 H LYS 65 -9.265 6.777 -0.296 474 HA LYS 65 HA LYS 65 -7.624 7.242 1.921 475 1HB LYS 65 2HB LYS 65 -9.741 6.644 3.194 476 2HB LYS 65 1HB LYS 65 -9.851 7.972 2.058 477 1HG LYS 65 2HG LYS 65 -10.424 5.554 0.603 478 2HG LYS 65 1HG LYS 65 -11.355 5.501 2.086 479 1HD LYS 65 2HD LYS 65 -12.661 6.633 0.340 480 2HD LYS 65 1HD LYS 65 -12.266 7.777 1.608 481 1HE LYS 65 2HE LYS 65 -10.226 8.465 0.187 482 2HE LYS 65 1HE LYS 65 -10.907 7.502 -1.110 483 1HZ LYS 65 1HZ LYS 65 -12.604 8.941 -1.381 484 2HZ LYS 65 2HZ LYS 65 -12.655 9.413 0.182 485 3HZ LYS 65 3HZ LYS 65 -11.502 10.004 -0.812 486 H GLU 66 H GLU 66 -8.724 4.286 0.283 487 HA GLU 66 HA GLU 66 -7.866 2.655 2.469 488 1HB GLU 66 2HB GLU 66 -9.798 1.927 1.178 489 2HB GLU 66 1HB GLU 66 -8.898 2.010 -0.323 490 1HG GLU 66 2HG GLU 66 -7.533 0.124 0.250 491 2HG GLU 66 1HG GLU 66 -7.970 0.211 1.945 492 H TRP 67 H TRP 67 -6.568 3.995 -0.521 493 HA TRP 67 HA TRP 67 -4.237 2.227 -0.294 494 1HB TRP 67 2HB TRP 67 -4.980 4.004 -2.617 495 2HB TRP 67 1HB TRP 67 -3.743 2.764 -2.568 496 HD1 TRP 67 HD TRP 67 -7.431 3.205 -3.272 497 HE1 TRP 67 1HE TRP 67 -8.602 0.937 -3.942 498 HE3 TRP 67 3HE TRP 67 -3.544 0.201 -1.956 499 HZ2 TRP 67 2HZ TRP 67 -7.790 -1.798 -3.848 500 HZ3 TRP 67 3HZ TRP 67 -3.816 -2.256 -2.278 501 HH2 TRP 67 HH TRP 67 -5.849 -3.264 -3.187 502 H ASP 68 H ASP 68 -5.094 4.660 1.396 503 HA ASP 68 HA ASP 68 -3.043 6.537 0.618 504 1HB ASP 68 2HB ASP 68 -4.903 7.772 1.265 505 2HB ASP 68 1HB ASP 68 -5.452 6.554 2.399 506 H THR 69 H THR 69 -4.012 4.202 3.174 507 HA THR 69 HA THR 69 -1.431 4.676 4.516 508 HB THR 69 HB THR 69 -2.836 3.487 6.439 509 HG1 THR 69 1HG THR 69 -5.138 4.006 6.028 510 1HG2 THR 69 1HG2 THR 69 -3.248 5.582 7.338 511 2HG2 THR 69 2HG2 THR 69 -2.281 6.141 5.952 512 3HG2 THR 69 3HG2 THR 69 -4.058 6.156 5.861 513 HA PRO 70 HA PRO 70 -0.296 0.624 3.682 514 1HB PRO 70 2HB PRO 70 1.177 -0.084 5.871 515 2HB PRO 70 1HB PRO 70 1.802 0.924 4.582 516 1HG PRO 70 2HG PRO 70 0.939 1.713 7.297 517 2HG PRO 70 1HG PRO 70 1.942 2.596 6.163 518 1HD PRO 70 2HD PRO 70 -0.820 3.090 6.758 519 2HD PRO 70 1HD PRO 70 0.151 3.896 5.543 520 H ASN 71 H ASN 71 -1.830 1.076 6.777 521 HA ASN 71 HA ASN 71 -2.319 -1.622 7.212 522 1HB ASN 71 2HB ASN 71 -3.085 0.957 8.379 523 2HB ASN 71 1HB ASN 71 -4.464 -0.124 8.363 524 1HD2 ASN 71 1HD2 ASN 71 -2.665 0.930 10.510 525 2HD2 ASN 71 2HD2 ASN 71 -2.129 -0.451 11.408 526 H LYS 72 H LYS 72 -4.391 1.086 5.919 527 HA LYS 72 HA LYS 72 -6.661 -0.369 5.397 528 1HB LYS 72 2HB LYS 72 -5.503 2.202 4.570 529 2HB LYS 72 1HB LYS 72 -6.584 1.513 3.376 530 1HG LYS 72 2HG LYS 72 -8.443 1.742 4.719 531 2HG LYS 72 1HG LYS 72 -7.573 1.324 6.182 532 1HD LYS 72 2HD LYS 72 -6.968 3.515 6.623 533 2HD LYS 72 1HD LYS 72 -6.788 3.924 4.929 534 1HE LYS 72 2HE LYS 72 -8.723 5.123 5.870 535 2HE LYS 72 1HE LYS 72 -9.271 3.973 4.666 536 1HZ LYS 72 1HZ LYS 72 -9.430 2.451 6.755 537 2HZ LYS 72 2HZ LYS 72 -9.569 3.875 7.543 538 3HZ LYS 72 3HZ LYS 72 -10.638 3.480 6.374 539 H ILE 73 H ILE 73 -3.591 -0.156 3.588 540 HA ILE 73 HA ILE 73 -4.675 -1.568 1.335 541 HB ILE 73 HB ILE 73 -1.909 -0.658 2.111 542 1HG1 ILE 73 2HG1 ILE 73 -3.866 0.290 -0.003 543 2HG1 ILE 73 1HG1 ILE 73 -3.483 1.116 1.495 544 1HG2 ILE 73 1HG2 ILE 73 -1.952 -2.821 0.766 545 2HG2 ILE 73 2HG2 ILE 73 -2.648 -1.858 -0.559 546 3HG2 ILE 73 3HG2 ILE 73 -1.035 -1.460 0.078 547 1HD1 ILE 73 1HD1 ILE 73 -1.734 2.125 0.477 548 2HD1 ILE 73 2HD1 ILE 73 -0.984 0.532 0.212 549 3HD1 ILE 73 3HD1 ILE 73 -2.071 1.220 -1.019 550 H ILE 74 H ILE 74 -2.360 -2.283 4.036 551 HA ILE 74 HA ILE 74 -1.758 -4.856 3.404 552 HB ILE 74 HB ILE 74 -2.015 -3.330 5.952 553 1HG1 ILE 74 2HG1 ILE 74 0.295 -4.738 4.579 554 2HG1 ILE 74 1HG1 ILE 74 -0.065 -3.026 4.478 555 1HG2 ILE 74 1HG2 ILE 74 -1.815 -6.315 5.726 556 2HG2 ILE 74 2HG2 ILE 74 -0.952 -5.461 7.028 557 3HG2 ILE 74 3HG2 ILE 74 -2.721 -5.316 6.888 558 1HD1 ILE 74 1HD1 ILE 74 1.194 -2.728 6.337 559 2HD1 ILE 74 2HD1 ILE 74 -0.058 -3.599 7.254 560 3HD1 ILE 74 3HD1 ILE 74 1.331 -4.485 6.580 561 H ALA 75 H ALA 75 -4.812 -3.525 4.626 562 HA ALA 75 HA ALA 75 -5.884 -6.077 5.331 563 1HB ALA 75 1HB ALA 75 -8.013 -4.336 5.002 564 2HB ALA 75 2HB ALA 75 -7.082 -4.558 6.503 565 3HB ALA 75 3HB ALA 75 -6.666 -3.237 5.386 566 H LYS 76 H LYS 76 -5.924 -3.887 2.483 567 HA LYS 76 HA LYS 76 -7.908 -5.284 1.076 568 1HB LYS 76 2HB LYS 76 -6.888 -2.908 0.731 569 2HB LYS 76 1HB LYS 76 -5.689 -3.734 -0.242 570 1HG LYS 76 2HG LYS 76 -7.492 -3.022 -1.715 571 2HG LYS 76 1HG LYS 76 -7.543 -4.770 -1.602 572 1HD LYS 76 2HD LYS 76 -9.421 -4.732 -0.095 573 2HD LYS 76 1HD LYS 76 -9.220 -3.023 0.240 574 1HE LYS 76 2HE LYS 76 -10.503 -2.442 -1.545 575 2HE LYS 76 1HE LYS 76 -9.547 -3.429 -2.632 576 1HZ LYS 76 1HZ LYS 76 -12.018 -4.038 -1.353 577 2HZ LYS 76 2HZ LYS 76 -11.365 -4.670 -2.710 578 3HZ LYS 76 3HZ LYS 76 -10.931 -5.252 -1.247 579 H VAL 77 H VAL 77 -4.485 -5.877 1.690 580 HA VAL 77 HA VAL 77 -4.249 -7.743 -0.488 581 HB VAL 77 HB VAL 77 -2.416 -7.193 1.854 582 1HG1 VAL 77 1HG1 VAL 77 -0.670 -8.173 0.479 583 2HG1 VAL 77 2HG1 VAL 77 -2.009 -9.332 0.662 584 3HG1 VAL 77 3HG1 VAL 77 -1.819 -8.423 -0.857 585 1HG2 VAL 77 1HG2 VAL 77 -2.335 -5.984 -0.931 586 2HG2 VAL 77 2HG2 VAL 77 -2.927 -5.150 0.526 587 3HG2 VAL 77 3HG2 VAL 77 -1.222 -5.649 0.418 588 H GLU 78 H GLU 78 -5.062 -7.731 2.973 589 HA GLU 78 HA GLU 78 -4.775 -10.564 3.159 590 1HB GLU 78 2HB GLU 78 -5.757 -8.392 5.038 591 2HB GLU 78 1HB GLU 78 -5.941 -10.085 5.452 592 1HG GLU 78 2HG GLU 78 -3.259 -9.845 4.549 593 2HG GLU 78 1HG GLU 78 -3.534 -8.415 5.525 594 H GLN 79 H GLN 79 -7.278 -8.207 2.364 595 HA GLN 79 HA GLN 79 -9.353 -10.168 2.743 596 1HB GLN 79 2HB GLN 79 -9.207 -7.300 2.707 597 2HB GLN 79 1HB GLN 79 -10.287 -7.779 1.413 598 1HG GLN 79 2HG GLN 79 -11.891 -8.555 2.859 599 2HG GLN 79 1HG GLN 79 -10.716 -9.305 3.921 600 1HE2 GLN 79 1HE2 GLN 79 -12.269 -6.291 3.002 601 2HE2 GLN 79 2HE2 GLN 79 -12.005 -5.424 4.478 602 H ALA 80 H ALA 80 -7.098 -10.407 0.681 603 HA ALA 80 HA ALA 80 -8.842 -10.620 -1.678 604 1HB ALA 80 1HB ALA 80 -5.926 -10.444 -2.132 605 2HB ALA 80 2HB ALA 80 -7.265 -9.612 -2.959 606 3HB ALA 80 3HB ALA 80 -6.641 -8.981 -1.415 607 H GLN 81 H GLN 81 -6.107 -11.964 0.246 608 HA GLN 81 HA GLN 81 -5.572 -14.163 -1.235 609 1HB GLN 81 2HB GLN 81 -5.671 -13.990 1.810 610 2HB GLN 81 1HB GLN 81 -4.792 -15.197 0.894 611 1HG GLN 81 2HG GLN 81 -4.265 -12.201 1.015 612 2HG GLN 81 1HG GLN 81 -3.189 -13.499 1.492 613 1HE2 GLN 81 1HE2 GLN 81 -3.499 -11.219 -0.686 614 2HE2 GLN 81 2HE2 GLN 81 -2.839 -11.946 -2.114 Start of MODEL 11 1 H ALA 2 H ALA 2 0.502 -14.821 1.696 2 HA ALA 2 HA ALA 2 -1.413 -14.881 2.963 3 1HB ALA 2 1HB ALA 2 -0.841 -17.832 2.864 4 2HB ALA 2 2HB ALA 2 -1.860 -17.199 4.179 5 3HB ALA 2 3HB ALA 2 -2.340 -16.950 2.482 6 H ASP 3 H ASP 3 1.620 -16.594 3.823 7 HA ASP 3 HA ASP 3 1.425 -16.208 6.554 8 1HB ASP 3 2HB ASP 3 3.996 -16.215 4.911 9 2HB ASP 3 1HB ASP 3 3.828 -16.679 6.592 10 H GLU 4 H GLU 4 3.705 -14.841 7.434 11 HA GLU 4 HA GLU 4 2.891 -12.198 7.256 12 1HB GLU 4 2HB GLU 4 4.632 -13.697 8.849 13 2HB GLU 4 1HB GLU 4 5.710 -12.575 8.043 14 1HG GLU 4 2HG GLU 4 5.043 -11.337 9.930 15 2HG GLU 4 1HG GLU 4 3.947 -10.740 8.702 16 H ALA 5 H ALA 5 4.570 -14.124 5.003 17 HA ALA 5 HA ALA 5 6.439 -12.273 4.012 18 1HB ALA 5 1HB ALA 5 5.248 -14.158 2.078 19 2HB ALA 5 2HB ALA 5 6.937 -13.983 2.613 20 3HB ALA 5 3HB ALA 5 5.787 -14.925 3.591 21 H ILE 6 H ILE 6 2.980 -12.374 3.963 22 HA ILE 6 HA ILE 6 2.786 -10.852 1.509 23 HB ILE 6 HB ILE 6 1.004 -12.387 3.243 24 1HG1 ILE 6 2HG1 ILE 6 1.054 -11.635 0.310 25 2HG1 ILE 6 1HG1 ILE 6 1.559 -13.151 1.030 26 1HG2 ILE 6 1HG2 ILE 6 -0.998 -10.978 2.351 27 2HG2 ILE 6 2HG2 ILE 6 -0.153 -10.476 3.834 28 3HG2 ILE 6 3HG2 ILE 6 0.193 -9.656 2.292 29 1HD1 ILE 6 1HD1 ILE 6 -0.989 -13.043 1.993 30 2HD1 ILE 6 2HD1 ILE 6 -1.196 -12.133 0.478 31 3HD1 ILE 6 3HD1 ILE 6 -0.569 -13.798 0.437 32 H LYS 7 H LYS 7 2.366 -10.428 5.068 33 HA LYS 7 HA LYS 7 1.618 -7.705 4.827 34 1HB LYS 7 2HB LYS 7 1.271 -9.484 6.753 35 2HB LYS 7 1HB LYS 7 2.802 -8.858 7.329 36 1HG LYS 7 2HG LYS 7 1.181 -6.602 6.565 37 2HG LYS 7 1HG LYS 7 0.180 -7.660 7.539 38 1HD LYS 7 2HD LYS 7 2.980 -6.765 8.367 39 2HD LYS 7 1HD LYS 7 1.518 -5.929 8.854 40 1HE LYS 7 2HE LYS 7 0.675 -8.016 9.940 41 2HE LYS 7 1HE LYS 7 2.120 -8.870 9.434 42 1HZ LYS 7 1HZ LYS 7 3.171 -6.781 10.664 43 2HZ LYS 7 2HZ LYS 7 1.796 -6.940 11.531 44 3HZ LYS 7 3HZ LYS 7 2.840 -8.192 11.418 45 H ASN 8 H ASN 8 4.702 -9.452 5.536 46 HA ASN 8 HA ASN 8 6.180 -7.159 5.993 47 1HB ASN 8 2HB ASN 8 6.777 -9.677 6.402 48 2HB ASN 8 1HB ASN 8 7.283 -9.708 4.725 49 1HD2 ASN 8 1HD2 ASN 8 9.241 -10.323 6.163 50 2HD2 ASN 8 2HD2 ASN 8 10.362 -9.048 6.507 51 H GLY 9 H GLY 9 5.624 -9.207 3.044 52 1HA GLY 9 2HA GLY 9 7.309 -7.861 1.276 53 2HA GLY 9 1HA GLY 9 5.894 -8.805 0.851 54 H VAL 10 H VAL 10 3.725 -7.472 1.811 55 HA VAL 10 HA VAL 10 3.294 -5.471 0.006 56 HB VAL 10 HB VAL 10 2.055 -6.296 2.597 57 1HG1 VAL 10 1HG1 VAL 10 1.688 -3.984 2.829 58 2HG1 VAL 10 2HG1 VAL 10 1.431 -3.757 1.082 59 3HG1 VAL 10 3HG1 VAL 10 0.203 -4.593 2.061 60 1HG2 VAL 10 1HG2 VAL 10 1.008 -7.627 1.134 61 2HG2 VAL 10 2HG2 VAL 10 0.142 -6.177 0.573 62 3HG2 VAL 10 3HG2 VAL 10 1.624 -6.706 -0.259 63 H LEU 11 H LEU 11 4.487 -5.231 3.407 64 HA LEU 11 HA LEU 11 4.566 -2.400 3.367 65 1HB LEU 11 2HB LEU 11 4.532 -4.194 5.313 66 2HB LEU 11 1HB LEU 11 6.273 -4.036 5.188 67 HG LEU 11 HG LEU 11 6.218 -1.732 5.770 68 1HD1 LEU 11 1HD1 LEU 11 3.733 -0.843 6.332 69 2HD1 LEU 11 2HD1 LEU 11 4.553 -0.584 4.773 70 3HD1 LEU 11 3HD1 LEU 11 3.378 -1.910 4.951 71 1HD2 LEU 11 1HD2 LEU 11 4.293 -3.291 7.512 72 2HD2 LEU 11 2HD2 LEU 11 6.064 -3.201 7.672 73 3HD2 LEU 11 3HD2 LEU 11 5.069 -1.756 7.972 74 H ASP 12 H ASP 12 7.017 -5.016 2.873 75 HA ASP 12 HA ASP 12 9.185 -3.374 2.607 76 1HB ASP 12 2HB ASP 12 8.783 -6.052 2.505 77 2HB ASP 12 1HB ASP 12 8.935 -5.757 0.784 78 H ILE 13 H ILE 13 6.486 -4.113 0.423 79 HA ILE 13 HA ILE 13 7.842 -3.018 -1.884 80 HB ILE 13 HB ILE 13 5.307 -4.469 -1.340 81 1HG1 ILE 13 2HG1 ILE 13 6.974 -4.813 -3.791 82 2HG1 ILE 13 1HG1 ILE 13 7.694 -5.270 -2.260 83 1HG2 ILE 13 1HG2 ILE 13 4.301 -2.692 -2.486 84 2HG2 ILE 13 2HG2 ILE 13 5.682 -2.497 -3.591 85 3HG2 ILE 13 3HG2 ILE 13 4.613 -3.911 -3.744 86 1HD1 ILE 13 1HD1 ILE 13 6.512 -7.188 -3.291 87 2HD1 ILE 13 2HD1 ILE 13 5.739 -6.727 -1.756 88 3HD1 ILE 13 3HD1 ILE 13 4.996 -6.254 -3.303 89 H LEU 14 H LEU 14 5.917 -1.953 0.805 90 HA LEU 14 HA LEU 14 4.868 0.341 -0.586 91 1HB LEU 14 2HB LEU 14 4.688 -0.779 2.183 92 2HB LEU 14 1HB LEU 14 4.271 0.900 1.905 93 HG LEU 14 HG LEU 14 3.017 -1.187 0.160 94 1HD1 LEU 14 1HD1 LEU 14 1.136 -1.105 2.031 95 2HD1 LEU 14 2HD1 LEU 14 2.447 -2.309 2.061 96 3HD1 LEU 14 3HD1 LEU 14 2.546 -0.859 3.089 97 1HD2 LEU 14 1HD2 LEU 14 1.183 0.364 0.074 98 2HD2 LEU 14 2HD2 LEU 14 1.909 1.369 1.352 99 3HD2 LEU 14 3HD2 LEU 14 2.694 1.249 -0.241 100 H ALA 15 H ALA 15 7.288 -0.315 2.039 101 HA ALA 15 HA ALA 15 8.141 2.357 2.197 102 1HB ALA 15 1HB ALA 15 10.197 1.142 3.261 103 2HB ALA 15 2HB ALA 15 8.612 1.012 4.059 104 3HB ALA 15 3HB ALA 15 9.218 -0.331 3.059 105 H ASP 16 H ASP 16 8.853 -0.324 0.002 106 HA ASP 16 HA ASP 16 11.292 0.738 -0.907 107 1HB ASP 16 2HB ASP 16 10.820 -1.621 -1.221 108 2HB ASP 16 1HB ASP 16 9.310 -1.278 -2.042 109 H LEU 17 H LEU 17 7.823 0.910 -1.872 110 HA LEU 17 HA LEU 17 8.218 2.171 -4.343 111 1HB LEU 17 2HB LEU 17 6.081 1.210 -2.788 112 2HB LEU 17 1HB LEU 17 5.738 2.904 -3.069 113 HG LEU 17 HG LEU 17 6.367 2.241 -5.579 114 1HD1 LEU 17 1HD1 LEU 17 5.371 -0.028 -6.056 115 2HD1 LEU 17 2HD1 LEU 17 6.963 -0.031 -5.258 116 3HD1 LEU 17 3HD1 LEU 17 5.491 -0.360 -4.310 117 1HD2 LEU 17 1HD2 LEU 17 3.771 1.481 -5.632 118 2HD2 LEU 17 2HD2 LEU 17 3.845 2.263 -4.035 119 3HD2 LEU 17 3HD2 LEU 17 4.318 3.169 -5.492 120 H THR 18 H THR 18 7.348 3.518 -1.082 121 HA THR 18 HA THR 18 7.587 6.202 -1.965 122 HB THR 18 HB THR 18 7.308 6.659 0.464 123 HG1 THR 18 1HG THR 18 8.024 5.061 1.832 124 1HG2 THR 18 1HG2 THR 18 5.462 4.753 0.928 125 2HG2 THR 18 2HG2 THR 18 5.148 6.059 -0.240 126 3HG2 THR 18 3HG2 THR 18 5.675 4.459 -0.815 127 H GLY 19 H GLY 19 9.810 3.925 -0.275 128 1HA GLY 19 2HA GLY 19 12.119 3.971 -0.653 129 2HA GLY 19 1HA GLY 19 12.026 5.661 -1.109 130 H SER 20 H SER 20 10.081 4.855 1.660 131 HA SER 20 HA SER 20 12.182 5.962 3.355 132 1HB SER 20 2HB SER 20 9.826 7.164 2.873 133 2HB SER 20 1HB SER 20 9.279 6.090 4.147 134 HG SER 20 HG SER 20 10.084 8.257 4.843 135 H ASP 21 H ASP 21 12.091 5.206 5.695 136 HA ASP 21 HA ASP 21 11.290 2.411 5.701 137 1HB ASP 21 2HB ASP 21 13.580 2.464 6.218 138 2HB ASP 21 1HB ASP 21 13.467 4.005 7.045 139 H ASP 22 H ASP 22 10.492 5.555 6.833 140 HA ASP 22 HA ASP 22 9.704 4.969 9.440 141 1HB ASP 22 2HB ASP 22 9.856 7.230 7.816 142 2HB ASP 22 1HB ASP 22 8.125 7.032 8.000 143 H VAL 23 H VAL 23 8.318 4.441 6.234 144 HA VAL 23 HA VAL 23 5.629 4.099 7.227 145 HB VAL 23 HB VAL 23 6.098 5.117 5.046 146 1HG1 VAL 23 1HG1 VAL 23 6.654 2.770 3.491 147 2HG1 VAL 23 2HG1 VAL 23 7.599 4.273 3.631 148 3HG1 VAL 23 3HG1 VAL 23 7.892 2.928 4.760 149 1HG2 VAL 23 1HG2 VAL 23 3.944 4.293 5.072 150 2HG2 VAL 23 2HG2 VAL 23 4.622 3.403 3.687 151 3HG2 VAL 23 3HG2 VAL 23 4.472 2.605 5.270 152 H LYS 24 H LYS 24 8.549 2.255 6.926 153 HA LYS 24 HA LYS 24 7.354 -0.275 6.493 154 1HB LYS 24 2HB LYS 24 9.688 0.189 5.941 155 2HB LYS 24 1HB LYS 24 10.056 0.509 7.624 156 1HG LYS 24 2HG LYS 24 9.428 -1.826 8.223 157 2HG LYS 24 1HG LYS 24 9.004 -2.152 6.555 158 1HD LYS 24 2HD LYS 24 11.342 -1.735 5.844 159 2HD LYS 24 1HD LYS 24 11.788 -1.301 7.483 160 1HE LYS 24 2HE LYS 24 11.589 -3.524 8.274 161 2HE LYS 24 1HE LYS 24 10.513 -4.001 6.976 162 1HZ LYS 24 1HZ LYS 24 13.397 -3.513 6.808 163 2HZ LYS 24 2HZ LYS 24 12.589 -4.893 6.477 164 3HZ LYS 24 3HZ LYS 24 12.458 -3.611 5.475 165 H LYS 25 H LYS 25 7.868 1.823 9.297 166 HA LYS 25 HA LYS 25 7.101 -0.368 11.071 167 1HB LYS 25 2HB LYS 25 7.873 1.027 12.870 168 2HB LYS 25 1HB LYS 25 9.108 0.974 11.628 169 1HG LYS 25 2HG LYS 25 9.037 3.269 12.060 170 2HG LYS 25 1HG LYS 25 7.915 3.162 10.719 171 1HD LYS 25 2HD LYS 25 6.221 3.938 12.010 172 2HD LYS 25 1HD LYS 25 6.456 2.640 13.164 173 1HE LYS 25 2HE LYS 25 8.261 3.948 14.287 174 2HE LYS 25 1HE LYS 25 8.067 5.237 13.117 175 1HZ LYS 25 1HZ LYS 25 5.736 4.344 14.607 176 2HZ LYS 25 2HZ LYS 25 6.820 5.315 15.349 177 3HZ LYS 25 3HZ LYS 25 6.065 5.821 13.992 178 H ASN 26 H ASN 26 6.128 2.934 9.989 179 HA ASN 26 HA ASN 26 3.892 3.063 11.627 180 1HB ASN 26 2HB ASN 26 4.925 4.497 9.203 181 2HB ASN 26 1HB ASN 26 3.196 4.628 9.463 182 1HD2 ASN 26 1HD2 ASN 26 2.392 5.536 11.377 183 2HD2 ASN 26 2HD2 ASN 26 3.335 6.600 12.366 184 H LEU 27 H LEU 27 1.638 2.590 11.137 185 HA LEU 27 HA LEU 27 1.285 0.889 8.768 186 1HB LEU 27 2HB LEU 27 -0.237 0.697 11.363 187 2HB LEU 27 1HB LEU 27 -0.309 -0.398 9.997 188 HG LEU 27 HG LEU 27 2.412 -0.189 10.970 189 1HD1 LEU 27 1HD1 LEU 27 1.476 -1.635 13.110 190 2HD1 LEU 27 2HD1 LEU 27 2.051 0.048 13.163 191 3HD1 LEU 27 3HD1 LEU 27 0.311 -0.293 13.014 192 1HD2 LEU 27 1HD2 LEU 27 0.779 -2.060 9.748 193 2HD2 LEU 27 2HD2 LEU 27 2.434 -2.329 10.347 194 3HD2 LEU 27 3HD2 LEU 27 1.038 -2.731 11.376 195 H ASP 28 H ASP 28 0.453 3.804 10.426 196 HA ASP 28 HA ASP 28 -1.782 4.103 8.580 197 1HB ASP 28 2HB ASP 28 -1.576 4.653 11.519 198 2HB ASP 28 1HB ASP 28 -2.404 5.877 10.576 199 H LEU 29 H LEU 29 0.958 4.783 8.022 200 HA LEU 29 HA LEU 29 1.110 7.656 8.520 201 1HB LEU 29 2HB LEU 29 3.083 6.551 9.142 202 2HB LEU 29 1HB LEU 29 3.097 5.557 7.699 203 HG LEU 29 HG LEU 29 3.378 7.856 6.453 204 1HD1 LEU 29 1HD1 LEU 29 3.709 9.682 7.665 205 2HD1 LEU 29 2HD1 LEU 29 3.358 8.738 9.133 206 3HD1 LEU 29 3HD1 LEU 29 5.034 8.899 8.557 207 1HD2 LEU 29 1HD2 LEU 29 5.810 7.607 6.570 208 2HD2 LEU 29 2HD2 LEU 29 5.639 6.558 7.998 209 3HD2 LEU 29 3HD2 LEU 29 4.999 6.029 6.424 210 H ASN 30 H ASN 30 -0.088 8.799 7.075 211 HA ASN 30 HA ASN 30 -1.072 8.086 4.757 212 1HB ASN 30 2HB ASN 30 0.328 10.789 5.036 213 2HB ASN 30 1HB ASN 30 -1.122 10.440 4.117 214 1HD2 ASN 30 1HD2 ASN 30 -2.776 9.131 5.622 215 2HD2 ASN 30 2HD2 ASN 30 -3.184 9.945 7.095 216 H LEU 31 H LEU 31 -0.299 7.491 2.706 217 HA LEU 31 HA LEU 31 2.580 7.631 2.319 218 1HB LEU 31 2HB LEU 31 0.370 6.106 0.944 219 2HB LEU 31 1HB LEU 31 2.022 6.134 0.359 220 HG LEU 31 HG LEU 31 1.869 5.424 3.192 221 1HD1 LEU 31 1HD1 LEU 31 -0.260 4.429 1.721 222 2HD1 LEU 31 2HD1 LEU 31 0.933 3.109 1.689 223 3HD1 LEU 31 3HD1 LEU 31 0.378 3.770 3.245 224 1HD2 LEU 31 1HD2 LEU 31 3.325 4.669 0.752 225 2HD2 LEU 31 2HD2 LEU 31 3.876 4.774 2.441 226 3HD2 LEU 31 3HD2 LEU 31 3.018 3.322 1.874 227 H PHE 32 H PHE 32 -0.425 9.142 1.323 228 HA PHE 32 HA PHE 32 1.025 10.485 -0.845 229 1HB PHE 32 2HB PHE 32 -1.917 9.882 -0.213 230 2HB PHE 32 1HB PHE 32 -1.486 11.061 -1.436 231 HD1 PHE 32 1HD PHE 32 -1.331 7.490 -0.543 232 HD2 PHE 32 2HD PHE 32 -0.705 10.380 -3.588 233 HE1 PHE 32 1HE PHE 32 -1.135 5.655 -2.245 234 HE2 PHE 32 2HE PHE 32 -0.509 8.544 -5.289 235 HZ PHE 32 HZ PHE 32 -0.727 6.205 -4.597 236 H GLU 33 H GLU 33 -0.925 10.873 2.127 237 HA GLU 33 HA GLU 33 -1.164 13.667 1.839 238 1HB GLU 33 2HB GLU 33 -2.424 11.793 3.368 239 2HB GLU 33 1HB GLU 33 -1.315 12.437 4.562 240 1HG GLU 33 2HG GLU 33 -2.130 14.794 3.761 241 2HG GLU 33 1HG GLU 33 -3.447 13.931 2.991 242 H THR 34 H THR 34 1.425 11.567 2.700 243 HA THR 34 HA THR 34 2.750 13.646 4.287 244 HB THR 34 HB THR 34 3.334 10.681 3.780 245 HG1 THR 34 1HG THR 34 2.481 12.335 6.053 246 1HG2 THR 34 1HG2 THR 34 5.409 11.083 4.650 247 2HG2 THR 34 2HG2 THR 34 5.035 12.814 4.833 248 3HG2 THR 34 3HG2 THR 34 4.614 11.670 6.130 249 H GLY 35 H GLY 35 2.433 12.588 1.066 250 1HA GLY 35 2HA GLY 35 3.465 13.496 -0.757 251 2HA GLY 35 1HA GLY 35 4.657 14.261 0.276 252 H LEU 36 H LEU 36 3.786 10.774 0.379 253 HA LEU 36 HA LEU 36 6.562 10.188 -0.314 254 1HB LEU 36 2HB LEU 36 4.454 8.868 1.323 255 2HB LEU 36 1HB LEU 36 5.618 7.838 0.513 256 HG LEU 36 HG LEU 36 6.160 9.970 2.585 257 1HD1 LEU 36 1HD1 LEU 36 7.286 7.979 3.710 258 2HD1 LEU 36 2HD1 LEU 36 5.508 7.968 3.636 259 3HD1 LEU 36 3HD1 LEU 36 6.452 6.966 2.507 260 1HD2 LEU 36 1HD2 LEU 36 7.942 10.339 1.135 261 2HD2 LEU 36 2HD2 LEU 36 8.596 9.161 2.299 262 3HD2 LEU 36 3HD2 LEU 36 8.067 8.621 0.687 263 H LEU 37 H LEU 37 3.192 9.813 -1.365 264 HA LEU 37 HA LEU 37 4.228 8.506 -3.780 265 1HB LEU 37 2HB LEU 37 2.091 7.659 -1.935 266 2HB LEU 37 1HB LEU 37 1.658 7.621 -3.633 267 HG LEU 37 HG LEU 37 4.088 6.244 -2.456 268 1HD1 LEU 37 1HD1 LEU 37 1.850 4.606 -3.465 269 2HD1 LEU 37 2HD1 LEU 37 2.899 4.382 -2.044 270 3HD1 LEU 37 3HD1 LEU 37 1.520 5.504 -1.964 271 1HD2 LEU 37 1HD2 LEU 37 2.828 6.104 -5.208 272 2HD2 LEU 37 2HD2 LEU 37 4.419 6.781 -4.784 273 3HD2 LEU 37 3HD2 LEU 37 4.122 5.034 -4.619 274 H ASP 38 H ASP 38 2.899 8.942 -5.738 275 HA ASP 38 HA ASP 38 1.560 11.517 -5.441 276 1HB ASP 38 2HB ASP 38 3.633 10.533 -7.337 277 2HB ASP 38 1HB ASP 38 2.300 11.365 -8.115 278 H SER 39 H SER 39 1.945 8.576 -7.565 279 HA SER 39 HA SER 39 -0.702 7.879 -7.491 280 1HB SER 39 2HB SER 39 -0.047 9.933 -9.545 281 2HB SER 39 1HB SER 39 -0.928 8.547 -10.156 282 HG SER 39 HG SER 39 -1.967 9.481 -7.741 283 H MET 40 H MET 40 1.592 8.269 -10.296 284 HA MET 40 HA MET 40 1.338 5.913 -11.445 285 1HB MET 40 2HB MET 40 3.921 6.118 -11.884 286 2HB MET 40 1HB MET 40 2.909 7.460 -12.383 287 1HG MET 40 2HG MET 40 3.460 8.167 -9.765 288 2HG MET 40 1HG MET 40 4.936 7.329 -10.199 289 1HE MET 40 1HE MET 40 2.869 9.283 -13.160 290 2HE MET 40 2HE MET 40 2.250 9.586 -11.519 291 3HE MET 40 3HE MET 40 3.082 10.883 -12.410 292 H GLY 41 H GLY 41 2.864 6.496 -8.292 293 1HA GLY 41 2HA GLY 41 4.294 4.083 -8.051 294 2HA GLY 41 1HA GLY 41 3.738 5.115 -6.749 295 H THR 42 H THR 42 0.969 5.062 -6.945 296 HA THR 42 HA THR 42 0.301 2.692 -5.697 297 HB THR 42 HB THR 42 -0.960 5.151 -6.633 298 HG1 THR 42 1HG THR 42 -1.508 2.952 -4.770 299 1HG2 THR 42 1HG2 THR 42 -2.506 2.531 -6.950 300 2HG2 THR 42 2HG2 THR 42 -3.306 4.093 -6.652 301 3HG2 THR 42 3HG2 THR 42 -2.360 3.848 -8.139 302 H VAL 43 H VAL 43 0.402 3.487 -9.166 303 HA VAL 43 HA VAL 43 -1.118 1.289 -10.021 304 HB VAL 43 HB VAL 43 1.058 2.890 -11.381 305 1HG1 VAL 43 1HG1 VAL 43 0.315 2.023 -13.470 306 2HG1 VAL 43 2HG1 VAL 43 0.556 0.620 -12.402 307 3HG1 VAL 43 3HG1 VAL 43 -1.088 1.223 -12.722 308 1HG2 VAL 43 1HG2 VAL 43 -1.957 3.166 -11.588 309 2HG2 VAL 43 2HG2 VAL 43 -0.920 4.183 -10.558 310 3HG2 VAL 43 3HG2 VAL 43 -0.721 4.213 -12.327 311 H GLN 44 H GLN 44 2.467 1.793 -9.721 312 HA GLN 44 HA GLN 44 3.160 -0.727 -10.562 313 1HB GLN 44 2HB GLN 44 4.688 1.266 -10.219 314 2HB GLN 44 1HB GLN 44 4.626 0.968 -8.493 315 1HG GLN 44 2HG GLN 44 5.962 -0.917 -8.623 316 2HG GLN 44 1HG GLN 44 5.306 -1.411 -10.171 317 1HE2 GLN 44 1HE2 GLN 44 5.949 -0.245 -12.084 318 2HE2 GLN 44 2HE2 GLN 44 7.525 0.464 -12.192 319 H LEU 45 H LEU 45 2.643 0.521 -7.188 320 HA LEU 45 HA LEU 45 3.229 -1.745 -5.798 321 1HB LEU 45 2HB LEU 45 2.707 -0.339 -4.193 322 2HB LEU 45 1HB LEU 45 1.943 0.740 -5.344 323 HG LEU 45 HG LEU 45 -0.186 -0.525 -5.079 324 1HD1 LEU 45 1HD1 LEU 45 0.067 -2.632 -4.339 325 2HD1 LEU 45 2HD1 LEU 45 1.556 -2.256 -3.440 326 3HD1 LEU 45 3HD1 LEU 45 -0.033 -1.879 -2.730 327 1HD2 LEU 45 1HD2 LEU 45 -0.850 0.664 -3.232 328 2HD2 LEU 45 2HD2 LEU 45 0.643 0.317 -2.328 329 3HD2 LEU 45 3HD2 LEU 45 0.659 1.510 -3.648 330 H LEU 46 H LEU 46 0.223 -0.925 -7.594 331 HA LEU 46 HA LEU 46 -1.237 -3.147 -6.691 332 1HB LEU 46 2HB LEU 46 -1.456 -1.143 -8.881 333 2HB LEU 46 1HB LEU 46 -2.405 -2.609 -9.025 334 HG LEU 46 HG LEU 46 -2.549 -0.500 -6.868 335 1HD1 LEU 46 1HD1 LEU 46 -4.574 -1.595 -8.840 336 2HD1 LEU 46 2HD1 LEU 46 -4.930 -0.419 -7.551 337 3HD1 LEU 46 3HD1 LEU 46 -3.806 0.011 -8.863 338 1HD2 LEU 46 1HD2 LEU 46 -2.732 -2.377 -5.529 339 2HD2 LEU 46 2HD2 LEU 46 -4.428 -2.058 -5.966 340 3HD2 LEU 46 3HD2 LEU 46 -3.520 -3.342 -6.800 341 H LEU 47 H LEU 47 1.206 -2.664 -9.234 342 HA LEU 47 HA LEU 47 0.656 -5.017 -10.662 343 1HB LEU 47 2HB LEU 47 2.304 -2.828 -10.927 344 2HB LEU 47 1HB LEU 47 3.446 -4.122 -10.615 345 HG LEU 47 HG LEU 47 3.130 -3.785 -13.003 346 1HD1 LEU 47 1HD1 LEU 47 2.281 -6.365 -11.749 347 2HD1 LEU 47 2HD1 LEU 47 2.197 -6.194 -13.519 348 3HD1 LEU 47 3HD1 LEU 47 3.748 -5.967 -12.675 349 1HD2 LEU 47 1HD2 LEU 47 0.416 -4.854 -13.207 350 2HD2 LEU 47 2HD2 LEU 47 0.487 -3.276 -12.387 351 3HD2 LEU 47 3HD2 LEU 47 1.171 -3.462 -14.020 352 H GLU 48 H GLU 48 2.658 -4.277 -7.776 353 HA GLU 48 HA GLU 48 3.728 -6.912 -7.740 354 1HB GLU 48 2HB GLU 48 4.220 -4.388 -6.412 355 2HB GLU 48 1HB GLU 48 4.046 -5.635 -5.193 356 1HG GLU 48 2HG GLU 48 6.350 -5.728 -5.734 357 2HG GLU 48 1HG GLU 48 5.669 -7.054 -6.657 358 H LEU 49 H LEU 49 0.880 -5.256 -6.515 359 HA LEU 49 HA LEU 49 0.372 -7.249 -4.494 360 1HB LEU 49 2HB LEU 49 -0.874 -4.697 -5.395 361 2HB LEU 49 1HB LEU 49 -1.891 -5.857 -4.566 362 HG LEU 49 HG LEU 49 0.528 -4.395 -3.524 363 1HD1 LEU 49 1HD1 LEU 49 -2.363 -4.623 -2.677 364 2HD1 LEU 49 2HD1 LEU 49 -1.097 -3.923 -1.640 365 3HD1 LEU 49 3HD1 LEU 49 -1.474 -3.177 -3.212 366 1HD2 LEU 49 1HD2 LEU 49 -0.560 -7.028 -2.618 367 2HD2 LEU 49 2HD2 LEU 49 1.116 -6.433 -2.663 368 3HD2 LEU 49 3HD2 LEU 49 0.004 -5.862 -1.397 369 H GLN 50 H GLN 50 0.107 -7.038 -7.874 370 HA GLN 50 HA GLN 50 -2.145 -8.890 -7.832 371 1HB GLN 50 2HB GLN 50 -2.435 -6.757 -9.152 372 2HB GLN 50 1HB GLN 50 -1.102 -7.245 -10.180 373 1HG GLN 50 2HG GLN 50 -2.339 -8.875 -11.257 374 2HG GLN 50 1HG GLN 50 -3.237 -9.303 -9.815 375 1HE2 GLN 50 1HE2 GLN 50 -5.220 -9.266 -10.760 376 2HE2 GLN 50 2HE2 GLN 50 -6.022 -7.829 -11.300 377 H SER 51 H SER 51 0.962 -9.194 -7.447 378 HA SER 51 HA SER 51 1.233 -11.245 -9.504 379 1HB SER 51 2HB SER 51 3.253 -9.312 -8.346 380 2HB SER 51 1HB SER 51 3.799 -10.857 -8.966 381 HG SER 51 HG SER 51 2.030 -9.386 -10.632 382 H GLN 52 H GLN 52 2.482 -10.227 -6.235 383 HA GLN 52 HA GLN 52 2.911 -12.977 -5.572 384 1HB GLN 52 2HB GLN 52 3.254 -10.448 -3.901 385 2HB GLN 52 1HB GLN 52 3.792 -12.048 -3.428 386 1HG GLN 52 2HG GLN 52 4.739 -11.301 -6.125 387 2HG GLN 52 1HG GLN 52 5.275 -10.171 -4.897 388 1HE2 GLN 52 1HE2 GLN 52 6.898 -10.682 -3.600 389 2HE2 GLN 52 2HE2 GLN 52 7.676 -12.227 -3.488 390 H PHE 53 H PHE 53 0.456 -10.490 -5.153 391 HA PHE 53 HA PHE 53 -0.950 -12.278 -3.295 392 1HB PHE 53 2HB PHE 53 -1.425 -9.286 -3.755 393 2HB PHE 53 1HB PHE 53 -1.917 -10.232 -2.364 394 HD1 PHE 53 1HD PHE 53 -0.604 -10.231 -0.446 395 HD2 PHE 53 2HD PHE 53 1.135 -9.028 -4.125 396 HE1 PHE 53 1HE PHE 53 1.480 -9.533 0.767 397 HE2 PHE 53 2HE PHE 53 3.219 -8.330 -2.912 398 HZ PHE 53 HZ PHE 53 3.366 -8.590 -0.480 399 H GLY 54 H GLY 54 -0.803 -11.131 -6.483 400 1HA GLY 54 2HA GLY 54 -2.327 -10.867 -8.145 401 2HA GLY 54 1HA GLY 54 -2.913 -12.397 -7.525 402 H VAL 55 H VAL 55 -3.014 -9.052 -6.112 403 HA VAL 55 HA VAL 55 -5.693 -9.428 -5.259 404 HB VAL 55 HB VAL 55 -3.800 -8.002 -4.261 405 1HG1 VAL 55 1HG1 VAL 55 -3.177 -6.698 -6.186 406 2HG1 VAL 55 2HG1 VAL 55 -4.843 -6.103 -6.388 407 3HG1 VAL 55 3HG1 VAL 55 -3.882 -5.600 -4.976 408 1HG2 VAL 55 1HG2 VAL 55 -6.444 -6.556 -4.477 409 2HG2 VAL 55 2HG2 VAL 55 -6.291 -8.104 -3.611 410 3HG2 VAL 55 3HG2 VAL 55 -5.350 -6.690 -3.079 411 H ASP 56 H ASP 56 -7.473 -7.819 -5.873 412 HA ASP 56 HA ASP 56 -7.271 -7.260 -8.727 413 1HB ASP 56 2HB ASP 56 -9.157 -8.948 -7.269 414 2HB ASP 56 1HB ASP 56 -10.018 -7.632 -8.043 415 H ALA 57 H ALA 57 -6.779 -5.561 -6.293 416 HA ALA 57 HA ALA 57 -8.796 -4.038 -5.390 417 1HB ALA 57 1HB ALA 57 -7.074 -2.165 -5.363 418 2HB ALA 57 2HB ALA 57 -6.540 -3.703 -4.642 419 3HB ALA 57 3HB ALA 57 -5.998 -3.250 -6.275 420 HA PRO 58 HA PRO 58 -10.495 -1.911 -8.749 421 1HB PRO 58 2HB PRO 58 -11.564 0.288 -7.529 422 2HB PRO 58 1HB PRO 58 -12.338 -1.283 -7.520 423 1HG PRO 58 2HG PRO 58 -10.886 0.080 -5.336 424 2HG PRO 58 1HG PRO 58 -12.010 -1.261 -5.237 425 1HD PRO 58 2HD PRO 58 -9.152 -1.399 -5.042 426 2HD PRO 58 1HD PRO 58 -10.268 -2.750 -5.060 427 H VAL 59 H VAL 59 -10.713 0.387 -9.823 428 HA VAL 59 HA VAL 59 -8.334 1.939 -9.330 429 HB VAL 59 HB VAL 59 -8.764 0.623 -12.017 430 1HG1 VAL 59 1HG1 VAL 59 -7.507 2.352 -12.706 431 2HG1 VAL 59 2HG1 VAL 59 -7.065 2.811 -11.045 432 3HG1 VAL 59 3HG1 VAL 59 -6.158 1.531 -11.886 433 1HG2 VAL 59 1HG2 VAL 59 -6.775 -0.041 -9.820 434 2HG2 VAL 59 2HG2 VAL 59 -8.075 -1.083 -10.447 435 3HG2 VAL 59 3HG2 VAL 59 -6.693 -0.662 -11.486 436 H SER 60 H SER 60 -11.194 1.239 -11.429 437 HA SER 60 HA SER 60 -11.527 3.507 -12.725 438 1HB SER 60 2HB SER 60 -14.111 3.146 -11.921 439 2HB SER 60 1HB SER 60 -13.327 2.164 -13.142 440 HG SER 60 HG SER 60 -14.113 1.495 -10.532 441 H GLU 61 H GLU 61 -11.890 3.037 -9.205 442 HA GLU 61 HA GLU 61 -11.455 5.681 -8.637 443 1HB GLU 61 2HB GLU 61 -14.073 5.383 -9.571 444 2HB GLU 61 1HB GLU 61 -14.275 5.347 -7.830 445 1HG GLU 61 2HG GLU 61 -13.272 7.504 -7.547 446 2HG GLU 61 1HG GLU 61 -12.547 7.476 -9.142 447 H PHE 62 H PHE 62 -10.075 4.214 -7.305 448 HA PHE 62 HA PHE 62 -11.353 2.636 -5.299 449 1HB PHE 62 2HB PHE 62 -8.924 2.406 -4.567 450 2HB PHE 62 1HB PHE 62 -9.142 2.059 -6.271 451 HD1 PHE 62 1HD PHE 62 -8.161 4.789 -3.944 452 HD2 PHE 62 2HD PHE 62 -7.888 3.205 -7.871 453 HE1 PHE 62 1HE PHE 62 -6.425 6.508 -4.517 454 HE2 PHE 62 2HE PHE 62 -6.151 4.924 -8.444 455 HZ PHE 62 HZ PHE 62 -5.440 6.556 -6.760 456 H ASP 63 H ASP 63 -10.209 2.999 -2.928 457 HA ASP 63 HA ASP 63 -11.053 5.688 -2.252 458 1HB ASP 63 2HB ASP 63 -10.572 4.324 0.138 459 2HB ASP 63 1HB ASP 63 -12.137 4.536 -0.622 460 H ARG 64 H ARG 64 -9.231 7.051 -2.368 461 HA ARG 64 HA ARG 64 -6.652 6.254 -2.140 462 1HB ARG 64 2HB ARG 64 -7.746 8.969 -1.255 463 2HB ARG 64 1HB ARG 64 -6.116 8.643 -1.810 464 1HG ARG 64 2HG ARG 64 -7.903 7.651 -3.830 465 2HG ARG 64 1HG ARG 64 -8.474 9.247 -3.384 466 1HD ARG 64 2HD ARG 64 -6.773 9.306 -5.237 467 2HD ARG 64 1HD ARG 64 -6.280 10.238 -3.838 468 HE ARG 64 HE ARG 64 -5.136 7.837 -3.266 469 1HH1 ARG 64 2HH2 ARG 64 -5.184 9.706 -6.248 470 2HH1 ARG 64 1HH2 ARG 64 -3.654 9.109 -6.796 471 1HH2 ARG 64 2HH1 ARG 64 -3.115 7.050 -3.990 472 2HH2 ARG 64 1HH1 ARG 64 -2.469 7.589 -5.504 473 H LYS 65 H LYS 65 -9.034 7.053 0.390 474 HA LYS 65 HA LYS 65 -7.227 7.407 2.504 475 1HB LYS 65 2HB LYS 65 -9.276 6.889 3.905 476 2HB LYS 65 1HB LYS 65 -9.409 8.235 2.792 477 1HG LYS 65 2HG LYS 65 -10.184 5.867 1.354 478 2HG LYS 65 1HG LYS 65 -11.006 5.822 2.901 479 1HD LYS 65 2HD LYS 65 -12.394 7.035 1.280 480 2HD LYS 65 1HD LYS 65 -11.850 8.146 2.521 481 1HE LYS 65 2HE LYS 65 -9.925 8.803 0.966 482 2HE LYS 65 1HE LYS 65 -10.680 7.833 -0.282 483 1HZ LYS 65 1HZ LYS 65 -11.338 10.140 -0.394 484 2HZ LYS 65 2HZ LYS 65 -12.635 9.193 -0.099 485 3HZ LYS 65 3HZ LYS 65 -11.977 10.074 1.107 486 H GLU 66 H GLU 66 -8.540 4.550 0.859 487 HA GLU 66 HA GLU 66 -7.589 2.836 2.956 488 1HB GLU 66 2HB GLU 66 -9.704 2.298 1.799 489 2HB GLU 66 1HB GLU 66 -8.873 2.223 0.258 490 1HG GLU 66 2HG GLU 66 -7.715 0.229 0.824 491 2HG GLU 66 1HG GLU 66 -7.928 0.474 2.545 492 H TRP 67 H TRP 67 -6.517 4.191 -0.103 493 HA TRP 67 HA TRP 67 -4.265 2.304 -0.133 494 1HB TRP 67 2HB TRP 67 -5.235 4.075 -2.381 495 2HB TRP 67 1HB TRP 67 -3.986 2.849 -2.461 496 HD1 TRP 67 HD TRP 67 -7.728 3.245 -2.772 497 HE1 TRP 67 1HE TRP 67 -8.942 0.959 -3.285 498 HE3 TRP 67 3HE TRP 67 -3.699 0.290 -1.833 499 HZ2 TRP 67 2HZ TRP 67 -8.100 -1.767 -3.242 500 HZ3 TRP 67 3HZ TRP 67 -3.979 -2.173 -2.091 501 HH2 TRP 67 HH TRP 67 -6.086 -3.210 -2.769 502 H ASP 68 H ASP 68 -4.731 4.669 1.690 503 HA ASP 68 HA ASP 68 -2.691 6.458 0.655 504 1HB ASP 68 2HB ASP 68 -4.375 7.875 1.362 505 2HB ASP 68 1HB ASP 68 -5.015 6.716 2.509 506 H THR 69 H THR 69 -3.589 4.155 3.225 507 HA THR 69 HA THR 69 -0.955 4.578 4.479 508 HB THR 69 HB THR 69 -2.231 3.535 6.507 509 HG1 THR 69 1HG THR 69 -4.440 3.347 6.143 510 1HG2 THR 69 1HG2 THR 69 -3.448 5.690 7.030 511 2HG2 THR 69 2HG2 THR 69 -1.771 5.967 6.502 512 3HG2 THR 69 3HG2 THR 69 -3.117 6.239 5.369 513 HA PRO 70 HA PRO 70 0.006 0.503 3.555 514 1HB PRO 70 2HB PRO 70 1.695 -0.188 5.588 515 2HB PRO 70 1HB PRO 70 2.194 0.780 4.215 516 1HG PRO 70 2HG PRO 70 1.644 1.644 6.988 517 2HG PRO 70 1HG PRO 70 2.534 2.483 5.732 518 1HD PRO 70 2HD PRO 70 -0.139 3.044 6.609 519 2HD PRO 70 1HD PRO 70 0.708 3.804 5.277 520 H ASN 71 H ASN 71 -1.502 1.176 6.552 521 HA ASN 71 HA ASN 71 -1.875 -1.536 7.224 522 1HB ASN 71 2HB ASN 71 -1.989 0.059 9.028 523 2HB ASN 71 1HB ASN 71 -3.098 1.096 8.154 524 1HD2 ASN 71 1HD2 ASN 71 -4.702 1.134 9.630 525 2HD2 ASN 71 2HD2 ASN 71 -5.677 -0.227 10.073 526 H LYS 72 H LYS 72 -4.008 1.139 5.962 527 HA LYS 72 HA LYS 72 -6.309 -0.348 5.645 528 1HB LYS 72 2HB LYS 72 -5.248 2.230 4.725 529 2HB LYS 72 1HB LYS 72 -6.389 1.518 3.603 530 1HG LYS 72 2HG LYS 72 -8.159 1.848 5.008 531 2HG LYS 72 1HG LYS 72 -7.281 1.250 6.402 532 1HD LYS 72 2HD LYS 72 -6.450 3.360 6.970 533 2HD LYS 72 1HD LYS 72 -6.464 3.935 5.315 534 1HE LYS 72 2HE LYS 72 -8.239 5.107 6.452 535 2HE LYS 72 1HE LYS 72 -9.017 3.928 5.415 536 1HZ LYS 72 1HZ LYS 72 -8.807 3.962 8.292 537 2HZ LYS 72 2HZ LYS 72 -10.043 3.472 7.343 538 3HZ LYS 72 3HZ LYS 72 -8.757 2.494 7.580 539 H ILE 73 H ILE 73 -3.378 -0.114 3.619 540 HA ILE 73 HA ILE 73 -4.573 -1.498 1.427 541 HB ILE 73 HB ILE 73 -1.766 -0.678 2.136 542 1HG1 ILE 73 2HG1 ILE 73 -3.816 0.286 0.129 543 2HG1 ILE 73 1HG1 ILE 73 -3.160 1.163 1.498 544 1HG2 ILE 73 1HG2 ILE 73 -0.917 -2.146 0.711 545 2HG2 ILE 73 2HG2 ILE 73 -2.540 -2.789 0.361 546 3HG2 ILE 73 3HG2 ILE 73 -1.897 -1.430 -0.592 547 1HD1 ILE 73 1HD1 ILE 73 -1.846 0.492 -1.134 548 2HD1 ILE 73 2HD1 ILE 73 -1.862 2.031 -0.240 549 3HD1 ILE 73 3HD1 ILE 73 -0.824 0.693 0.309 550 H ILE 74 H ILE 74 -2.272 -2.345 4.096 551 HA ILE 74 HA ILE 74 -1.804 -4.949 3.396 552 HB ILE 74 HB ILE 74 -1.635 -3.291 5.791 553 1HG1 ILE 74 2HG1 ILE 74 0.183 -5.584 5.161 554 2HG1 ILE 74 1HG1 ILE 74 0.139 -4.231 4.049 555 1HG2 ILE 74 1HG2 ILE 74 -1.957 -6.284 6.146 556 2HG2 ILE 74 2HG2 ILE 74 -1.419 -5.131 7.390 557 3HG2 ILE 74 3HG2 ILE 74 -3.070 -5.027 6.734 558 1HD1 ILE 74 1HD1 ILE 74 1.320 -4.395 6.731 559 2HD1 ILE 74 2HD1 ILE 74 1.595 -3.193 5.448 560 3HD1 ILE 74 3HD1 ILE 74 0.229 -2.998 6.572 561 H ALA 75 H ALA 75 -4.673 -3.485 4.956 562 HA ALA 75 HA ALA 75 -5.859 -5.985 5.604 563 1HB ALA 75 1HB ALA 75 -7.230 -4.625 6.755 564 2HB ALA 75 2HB ALA 75 -6.285 -3.247 6.142 565 3HB ALA 75 3HB ALA 75 -7.736 -3.791 5.267 566 H LYS 76 H LYS 76 -5.733 -3.858 2.758 567 HA LYS 76 HA LYS 76 -7.975 -4.987 1.459 568 1HB LYS 76 2HB LYS 76 -5.764 -3.118 0.785 569 2HB LYS 76 1HB LYS 76 -6.502 -3.958 -0.563 570 1HG LYS 76 2HG LYS 76 -8.011 -2.350 1.553 571 2HG LYS 76 1HG LYS 76 -7.653 -1.798 -0.072 572 1HD LYS 76 2HD LYS 76 -8.874 -4.306 -0.474 573 2HD LYS 76 1HD LYS 76 -9.782 -3.610 0.855 574 1HE LYS 76 2HE LYS 76 -9.738 -1.418 -0.692 575 2HE LYS 76 1HE LYS 76 -9.465 -2.585 -1.971 576 1HZ LYS 76 1HZ LYS 76 -11.456 -3.693 -1.385 577 2HZ LYS 76 2HZ LYS 76 -11.671 -2.790 -0.043 578 3HZ LYS 76 3HZ LYS 76 -11.815 -2.106 -1.519 579 H VAL 77 H VAL 77 -4.488 -5.773 1.644 580 HA VAL 77 HA VAL 77 -4.583 -7.678 -0.455 581 HB VAL 77 HB VAL 77 -2.658 -7.018 1.764 582 1HG1 VAL 77 1HG1 VAL 77 -2.542 -9.452 1.374 583 2HG1 VAL 77 2HG1 VAL 77 -2.285 -9.156 -0.362 584 3HG1 VAL 77 3HG1 VAL 77 -1.069 -8.619 0.823 585 1HG2 VAL 77 1HG2 VAL 77 -3.128 -5.953 -0.799 586 2HG2 VAL 77 2HG2 VAL 77 -1.750 -5.622 0.278 587 3HG2 VAL 77 3HG2 VAL 77 -1.636 -6.912 -0.944 588 H GLU 78 H GLU 78 -5.030 -7.744 3.106 589 HA GLU 78 HA GLU 78 -5.066 -10.552 3.233 590 1HB GLU 78 2HB GLU 78 -5.825 -8.298 5.096 591 2HB GLU 78 1HB GLU 78 -6.297 -9.935 5.508 592 1HG GLU 78 2HG GLU 78 -3.439 -9.446 4.659 593 2HG GLU 78 1HG GLU 78 -3.924 -8.932 6.262 594 H GLN 79 H GLN 79 -7.457 -8.030 2.523 595 HA GLN 79 HA GLN 79 -9.612 -9.919 2.813 596 1HB GLN 79 2HB GLN 79 -9.441 -7.196 3.226 597 2HB GLN 79 1HB GLN 79 -10.179 -7.247 1.638 598 1HG GLN 79 2HG GLN 79 -12.023 -8.606 2.434 599 2HG GLN 79 1HG GLN 79 -11.221 -8.925 3.959 600 1HE2 GLN 79 1HE2 GLN 79 -10.728 -7.062 5.343 601 2HE2 GLN 79 2HE2 GLN 79 -11.850 -5.743 5.423 602 H ALA 80 H ALA 80 -7.429 -10.250 0.752 603 HA ALA 80 HA ALA 80 -9.177 -10.198 -1.613 604 1HB ALA 80 1HB ALA 80 -7.149 -9.799 -2.961 605 2HB ALA 80 2HB ALA 80 -7.391 -8.496 -1.773 606 3HB ALA 80 3HB ALA 80 -6.166 -9.753 -1.478 607 H GLN 81 H GLN 81 -6.430 -11.764 0.139 608 HA GLN 81 HA GLN 81 -6.015 -13.899 -1.423 609 1HB GLN 81 2HB GLN 81 -6.163 -13.879 1.624 610 2HB GLN 81 1HB GLN 81 -5.369 -15.117 0.672 611 1HG GLN 81 2HG GLN 81 -4.620 -12.163 0.826 612 2HG GLN 81 1HG GLN 81 -3.681 -13.519 1.417 613 1HE2 GLN 81 1HE2 GLN 81 -4.775 -11.743 -1.366 614 2HE2 GLN 81 2HE2 GLN 81 -3.695 -12.417 -2.539 Start of MODEL 12 1 H ALA 2 H ALA 2 4.943 -20.894 7.849 2 HA ALA 2 HA ALA 2 5.820 -19.238 5.696 3 1HB ALA 2 1HB ALA 2 3.719 -21.261 6.251 4 2HB ALA 2 2HB ALA 2 3.283 -20.022 5.050 5 3HB ALA 2 3HB ALA 2 4.731 -21.028 4.805 6 H ASP 3 H ASP 3 3.509 -18.089 4.676 7 HA ASP 3 HA ASP 3 2.326 -16.275 4.761 8 1HB ASP 3 2HB ASP 3 1.937 -16.398 7.746 9 2HB ASP 3 1HB ASP 3 0.765 -16.029 6.496 10 H GLU 4 H GLU 4 2.136 -13.975 5.970 11 HA GLU 4 HA GLU 4 3.046 -12.311 7.126 12 1HB GLU 4 2HB GLU 4 4.724 -12.600 8.663 13 2HB GLU 4 1HB GLU 4 4.396 -14.298 8.374 14 1HG GLU 4 2HG GLU 4 6.155 -13.955 6.376 15 2HG GLU 4 1HG GLU 4 6.683 -12.605 7.362 16 H ALA 5 H ALA 5 4.613 -14.138 4.571 17 HA ALA 5 HA ALA 5 6.451 -12.122 3.793 18 1HB ALA 5 1HB ALA 5 6.963 -14.330 3.130 19 2HB ALA 5 2HB ALA 5 5.311 -14.632 2.540 20 3HB ALA 5 3HB ALA 5 6.397 -13.555 1.631 21 H ILE 6 H ILE 6 3.060 -12.268 3.770 22 HA ILE 6 HA ILE 6 2.816 -10.755 1.296 23 HB ILE 6 HB ILE 6 1.103 -12.456 2.922 24 1HG1 ILE 6 2HG1 ILE 6 1.228 -11.537 0.050 25 2HG1 ILE 6 1HG1 ILE 6 1.587 -13.120 0.710 26 1HG2 ILE 6 1HG2 ILE 6 0.135 -10.264 3.546 27 2HG2 ILE 6 2HG2 ILE 6 -0.129 -9.917 1.820 28 3HG2 ILE 6 3HG2 ILE 6 -0.978 -11.276 2.594 29 1HD1 ILE 6 1HD1 ILE 6 -1.172 -11.812 0.673 30 2HD1 ILE 6 2HD1 ILE 6 -0.620 -13.111 -0.412 31 3HD1 ILE 6 3HD1 ILE 6 -0.804 -13.425 1.330 32 H LYS 7 H LYS 7 2.214 -10.458 4.852 33 HA LYS 7 HA LYS 7 1.361 -7.779 4.683 34 1HB LYS 7 2HB LYS 7 1.171 -9.662 6.566 35 2HB LYS 7 1HB LYS 7 2.606 -8.862 7.175 36 1HG LYS 7 2HG LYS 7 0.950 -6.708 6.526 37 2HG LYS 7 1HG LYS 7 -0.196 -7.902 7.103 38 1HD LYS 7 2HD LYS 7 2.190 -7.801 8.817 39 2HD LYS 7 1HD LYS 7 1.434 -6.226 8.688 40 1HE LYS 7 2HE LYS 7 -0.565 -6.939 9.684 41 2HE LYS 7 1HE LYS 7 -0.367 -8.598 9.155 42 1HZ LYS 7 1HZ LYS 7 0.368 -7.499 11.579 43 2HZ LYS 7 2HZ LYS 7 0.562 -9.042 11.082 44 3HZ LYS 7 3HZ LYS 7 1.750 -7.949 10.834 45 H ASN 8 H ASN 8 4.546 -9.374 5.165 46 HA ASN 8 HA ASN 8 5.892 -7.011 5.776 47 1HB ASN 8 2HB ASN 8 6.519 -9.733 5.672 48 2HB ASN 8 1HB ASN 8 7.451 -9.100 4.331 49 1HD2 ASN 8 1HD2 ASN 8 8.687 -10.186 6.493 50 2HD2 ASN 8 2HD2 ASN 8 9.524 -8.979 7.412 51 H GLY 9 H GLY 9 5.593 -9.013 2.743 52 1HA GLY 9 2HA GLY 9 7.112 -7.508 1.017 53 2HA GLY 9 1HA GLY 9 5.710 -8.458 0.567 54 H VAL 10 H VAL 10 3.571 -7.160 1.772 55 HA VAL 10 HA VAL 10 3.037 -5.107 0.025 56 HB VAL 10 HB VAL 10 1.905 -6.050 2.625 57 1HG1 VAL 10 1HG1 VAL 10 1.540 -3.733 2.930 58 2HG1 VAL 10 2HG1 VAL 10 1.159 -3.481 1.210 59 3HG1 VAL 10 3HG1 VAL 10 0.019 -4.362 2.254 60 1HG2 VAL 10 1HG2 VAL 10 0.095 -5.724 0.367 61 2HG2 VAL 10 2HG2 VAL 10 1.524 -6.691 -0.069 62 3HG2 VAL 10 3HG2 VAL 10 0.501 -7.182 1.303 63 H LEU 11 H LEU 11 4.228 -4.954 3.442 64 HA LEU 11 HA LEU 11 4.321 -2.136 3.482 65 1HB LEU 11 2HB LEU 11 4.508 -4.167 5.313 66 2HB LEU 11 1HB LEU 11 6.162 -3.591 5.248 67 HG LEU 11 HG LEU 11 3.700 -2.221 6.232 68 1HD1 LEU 11 1HD1 LEU 11 4.942 -2.958 8.009 69 2HD1 LEU 11 2HD1 LEU 11 6.495 -2.728 7.170 70 3HD1 LEU 11 3HD1 LEU 11 5.611 -1.321 7.810 71 1HD2 LEU 11 1HD2 LEU 11 4.155 -0.523 4.758 72 2HD2 LEU 11 2HD2 LEU 11 5.182 -0.051 6.133 73 3HD2 LEU 11 3HD2 LEU 11 5.901 -0.864 4.723 74 H ASP 12 H ASP 12 6.821 -4.699 2.919 75 HA ASP 12 HA ASP 12 8.965 -3.061 2.666 76 1HB ASP 12 2HB ASP 12 8.534 -5.728 2.390 77 2HB ASP 12 1HB ASP 12 8.684 -5.316 0.694 78 H ILE 13 H ILE 13 6.827 -4.374 0.012 79 HA ILE 13 HA ILE 13 7.953 -2.965 -2.071 80 HB ILE 13 HB ILE 13 5.442 -4.401 -1.530 81 1HG1 ILE 13 2HG1 ILE 13 6.826 -4.484 -4.158 82 2HG1 ILE 13 1HG1 ILE 13 7.771 -4.999 -2.775 83 1HG2 ILE 13 1HG2 ILE 13 5.597 -2.282 -3.686 84 2HG2 ILE 13 2HG2 ILE 13 4.441 -3.636 -3.705 85 3HG2 ILE 13 3HG2 ILE 13 4.392 -2.442 -2.385 86 1HD1 ILE 13 1HD1 ILE 13 6.253 -6.746 -4.055 87 2HD1 ILE 13 2HD1 ILE 13 6.339 -6.794 -2.277 88 3HD1 ILE 13 3HD1 ILE 13 4.945 -6.031 -3.081 89 H LEU 14 H LEU 14 6.035 -1.849 0.618 90 HA LEU 14 HA LEU 14 5.173 0.538 -0.755 91 1HB LEU 14 2HB LEU 14 4.553 -0.877 1.706 92 2HB LEU 14 1HB LEU 14 4.755 0.842 1.981 93 HG LEU 14 HG LEU 14 3.008 1.396 0.448 94 1HD1 LEU 14 1HD1 LEU 14 3.698 -1.033 -0.821 95 2HD1 LEU 14 2HD1 LEU 14 1.991 -1.171 -0.335 96 3HD1 LEU 14 3HD1 LEU 14 2.520 0.193 -1.348 97 1HD2 LEU 14 1HD2 LEU 14 2.470 0.436 2.781 98 2HD2 LEU 14 2HD2 LEU 14 1.147 0.600 1.601 99 3HD2 LEU 14 3HD2 LEU 14 1.885 -0.993 1.897 100 H ALA 15 H ALA 15 7.290 -0.218 2.105 101 HA ALA 15 HA ALA 15 8.316 2.321 2.400 102 1HB ALA 15 1HB ALA 15 9.086 1.144 4.159 103 2HB ALA 15 2HB ALA 15 8.881 -0.400 3.297 104 3HB ALA 15 3HB ALA 15 10.375 0.545 3.089 105 H ASP 16 H ASP 16 9.115 -0.264 0.078 106 HA ASP 16 HA ASP 16 11.545 0.856 -0.729 107 1HB ASP 16 2HB ASP 16 10.185 -1.493 -1.213 108 2HB ASP 16 1HB ASP 16 9.934 -0.664 -2.736 109 H LEU 17 H LEU 17 8.104 1.105 -1.794 110 HA LEU 17 HA LEU 17 8.556 2.530 -4.151 111 1HB LEU 17 2HB LEU 17 6.386 1.500 -2.715 112 2HB LEU 17 1HB LEU 17 6.077 3.222 -2.826 113 HG LEU 17 HG LEU 17 6.817 2.628 -5.407 114 1HD1 LEU 17 1HD1 LEU 17 6.881 0.348 -5.453 115 2HD1 LEU 17 2HD1 LEU 17 5.682 0.170 -4.150 116 3HD1 LEU 17 3HD1 LEU 17 5.153 0.598 -5.794 117 1HD2 LEU 17 1HD2 LEU 17 4.214 2.982 -3.983 118 2HD2 LEU 17 2HD2 LEU 17 5.002 4.002 -5.212 119 3HD2 LEU 17 3HD2 LEU 17 4.192 2.492 -5.695 120 H THR 18 H THR 18 7.701 3.687 -0.815 121 HA THR 18 HA THR 18 8.036 6.419 -1.550 122 HB THR 18 HB THR 18 7.492 6.796 0.776 123 HG1 THR 18 1HG THR 18 8.058 5.180 2.299 124 1HG2 THR 18 1HG2 THR 18 6.208 4.121 0.767 125 2HG2 THR 18 2HG2 THR 18 5.455 5.731 0.855 126 3HG2 THR 18 3HG2 THR 18 5.908 5.046 -0.724 127 H GLY 19 H GLY 19 10.182 3.848 -0.424 128 1HA GLY 19 2HA GLY 19 12.453 3.839 -0.446 129 2HA GLY 19 1HA GLY 19 12.463 5.519 -0.946 130 H SER 20 H SER 20 10.415 4.885 1.795 131 HA SER 20 HA SER 20 12.562 5.817 3.537 132 1HB SER 20 2HB SER 20 9.721 6.733 3.216 133 2HB SER 20 1HB SER 20 10.365 6.713 4.846 134 HG SER 20 HG SER 20 12.164 7.824 3.035 135 H ASP 21 H ASP 21 12.606 4.927 5.700 136 HA ASP 21 HA ASP 21 11.234 2.393 5.821 137 1HB ASP 21 2HB ASP 21 12.817 2.666 8.127 138 2HB ASP 21 1HB ASP 21 13.247 1.787 6.673 139 H ASP 22 H ASP 22 10.039 5.223 6.312 140 HA ASP 22 HA ASP 22 9.569 5.275 9.114 141 1HB ASP 22 2HB ASP 22 9.246 7.038 6.867 142 2HB ASP 22 1HB ASP 22 7.664 6.857 7.599 143 H VAL 23 H VAL 23 7.958 4.185 6.106 144 HA VAL 23 HA VAL 23 5.428 3.737 7.366 145 HB VAL 23 HB VAL 23 5.660 4.349 5.010 146 1HG1 VAL 23 1HG1 VAL 23 6.530 1.642 4.163 147 2HG1 VAL 23 2HG1 VAL 23 6.901 3.240 3.472 148 3HG1 VAL 23 3HG1 VAL 23 7.785 2.664 4.906 149 1HG2 VAL 23 1HG2 VAL 23 4.230 1.942 5.953 150 2HG2 VAL 23 2HG2 VAL 23 3.623 3.382 5.101 151 3HG2 VAL 23 3HG2 VAL 23 4.400 2.068 4.186 152 H LYS 24 H LYS 24 8.375 1.859 6.576 153 HA LYS 24 HA LYS 24 7.403 -0.684 6.926 154 1HB LYS 24 2HB LYS 24 9.653 -0.086 6.091 155 2HB LYS 24 1HB LYS 24 10.127 0.400 7.705 156 1HG LYS 24 2HG LYS 24 8.971 -2.224 7.921 157 2HG LYS 24 1HG LYS 24 10.080 -2.262 6.566 158 1HD LYS 24 2HD LYS 24 11.210 -0.799 8.860 159 2HD LYS 24 1HD LYS 24 10.767 -2.439 9.290 160 1HE LYS 24 2HE LYS 24 11.988 -2.919 6.888 161 2HE LYS 24 1HE LYS 24 12.859 -1.477 7.371 162 1HZ LYS 24 1HZ LYS 24 13.770 -2.534 9.121 163 2HZ LYS 24 2HZ LYS 24 12.497 -3.523 9.380 164 3HZ LYS 24 3HZ LYS 24 13.551 -3.848 8.177 165 H LYS 25 H LYS 25 7.738 1.909 9.244 166 HA LYS 25 HA LYS 25 7.373 -0.016 11.427 167 1HB LYS 25 2HB LYS 25 9.335 1.478 11.602 168 2HB LYS 25 1HB LYS 25 8.283 2.877 11.522 169 1HG LYS 25 2HG LYS 25 7.545 0.833 13.578 170 2HG LYS 25 1HG LYS 25 9.054 1.676 13.866 171 1HD LYS 25 2HD LYS 25 7.224 3.695 13.057 172 2HD LYS 25 1HD LYS 25 6.312 2.661 14.137 173 1HE LYS 25 2HE LYS 25 7.305 3.766 15.859 174 2HE LYS 25 1HE LYS 25 8.780 2.915 15.447 175 1HZ LYS 25 1HZ LYS 25 8.149 5.282 13.907 176 2HZ LYS 25 2HZ LYS 25 8.640 5.506 15.448 177 3HZ LYS 25 3HZ LYS 25 9.601 4.714 14.393 178 H ASN 26 H ASN 26 6.398 3.435 10.873 179 HA ASN 26 HA ASN 26 4.134 3.303 12.341 180 1HB ASN 26 2HB ASN 26 5.268 5.070 10.286 181 2HB ASN 26 1HB ASN 26 3.522 5.027 10.153 182 1HD2 ASN 26 1HD2 ASN 26 2.513 6.504 11.260 183 2HD2 ASN 26 2HD2 ASN 26 2.996 7.212 12.766 184 H LEU 27 H LEU 27 1.976 2.602 11.944 185 HA LEU 27 HA LEU 27 1.569 1.267 9.364 186 1HB LEU 27 2HB LEU 27 0.421 0.744 12.104 187 2HB LEU 27 1HB LEU 27 -0.206 0.011 10.642 188 HG LEU 27 HG LEU 27 2.714 -0.294 11.112 189 1HD1 LEU 27 1HD1 LEU 27 1.176 -0.666 13.316 190 2HD1 LEU 27 2HD1 LEU 27 1.092 -2.282 12.575 191 3HD1 LEU 27 3HD1 LEU 27 2.673 -1.563 12.967 192 1HD2 LEU 27 1HD2 LEU 27 1.162 -2.685 10.551 193 2HD2 LEU 27 2HD2 LEU 27 0.811 -1.381 9.393 194 3HD2 LEU 27 3HD2 LEU 27 2.486 -1.935 9.629 195 H ASP 28 H ASP 28 1.341 4.157 9.735 196 HA ASP 28 HA ASP 28 -1.272 4.403 8.685 197 1HB ASP 28 2HB ASP 28 -0.949 4.801 11.495 198 2HB ASP 28 1HB ASP 28 -1.080 6.406 10.801 199 H LEU 29 H LEU 29 1.596 4.855 7.979 200 HA LEU 29 HA LEU 29 1.992 7.703 8.106 201 1HB LEU 29 2HB LEU 29 3.851 6.151 8.360 202 2HB LEU 29 1HB LEU 29 3.552 5.492 6.764 203 HG LEU 29 HG LEU 29 3.932 7.950 5.950 204 1HD1 LEU 29 1HD1 LEU 29 5.862 8.833 7.590 205 2HD1 LEU 29 2HD1 LEU 29 4.159 9.330 7.731 206 3HD1 LEU 29 3HD1 LEU 29 4.803 8.053 8.789 207 1HD2 LEU 29 1HD2 LEU 29 6.492 7.467 6.065 208 2HD2 LEU 29 2HD2 LEU 29 5.979 5.913 6.767 209 3HD2 LEU 29 3HD2 LEU 29 5.423 6.384 5.143 210 H ASN 30 H ASN 30 0.357 8.741 6.965 211 HA ASN 30 HA ASN 30 -0.961 8.016 4.821 212 1HB ASN 30 2HB ASN 30 -0.107 10.568 5.965 213 2HB ASN 30 1HB ASN 30 -0.169 10.707 4.218 214 1HD2 ASN 30 1HD2 ASN 30 -2.021 9.197 6.865 215 2HD2 ASN 30 2HD2 ASN 30 -3.598 9.666 6.325 216 H LEU 31 H LEU 31 -0.397 7.295 2.760 217 HA LEU 31 HA LEU 31 2.324 7.775 1.865 218 1HB LEU 31 2HB LEU 31 0.163 6.013 0.701 219 2HB LEU 31 1HB LEU 31 1.846 6.059 0.214 220 HG LEU 31 HG LEU 31 0.999 5.320 3.020 221 1HD1 LEU 31 1HD1 LEU 31 1.794 3.093 1.298 222 2HD1 LEU 31 2HD1 LEU 31 0.440 3.239 2.444 223 3HD1 LEU 31 3HD1 LEU 31 0.276 3.870 0.788 224 1HD2 LEU 31 1HD2 LEU 31 3.513 5.796 1.795 225 2HD2 LEU 31 2HD2 LEU 31 3.172 5.206 3.439 226 3HD2 LEU 31 3HD2 LEU 31 3.394 4.048 2.106 227 H PHE 32 H PHE 32 -0.276 9.655 1.893 228 HA PHE 32 HA PHE 32 0.225 10.601 -0.839 229 1HB PHE 32 2HB PHE 32 -2.275 9.909 0.689 230 2HB PHE 32 1HB PHE 32 -2.356 11.434 -0.171 231 HD1 PHE 32 1HD PHE 32 -3.302 11.339 -2.260 232 HD2 PHE 32 2HD PHE 32 -1.146 7.961 -0.865 233 HE1 PHE 32 1HE PHE 32 -3.846 10.115 -4.383 234 HE2 PHE 32 2HE PHE 32 -1.690 6.736 -2.987 235 HZ PHE 32 HZ PHE 32 -3.033 7.828 -4.720 236 H GLU 33 H GLU 33 -1.169 11.469 2.407 237 HA GLU 33 HA GLU 33 -0.858 14.214 1.957 238 1HB GLU 33 2HB GLU 33 -2.354 12.885 3.674 239 2HB GLU 33 1HB GLU 33 -0.949 12.972 4.718 240 1HG GLU 33 2HG GLU 33 -0.920 15.491 4.365 241 2HG GLU 33 1HG GLU 33 -2.418 15.340 3.468 242 H THR 34 H THR 34 1.404 11.722 2.598 243 HA THR 34 HA THR 34 3.255 13.480 4.008 244 HB THR 34 HB THR 34 3.511 10.557 3.127 245 HG1 THR 34 1HG THR 34 2.834 11.775 5.702 246 1HG2 THR 34 1HG2 THR 34 4.908 10.732 5.417 247 2HG2 THR 34 2HG2 THR 34 5.676 11.114 3.857 248 3HG2 THR 34 3HG2 THR 34 5.088 12.427 4.906 249 H GLY 35 H GLY 35 2.408 12.558 0.781 250 1HA GLY 35 2HA GLY 35 3.262 13.511 -1.122 251 2HA GLY 35 1HA GLY 35 4.644 14.112 -0.228 252 H LEU 36 H LEU 36 4.190 10.880 0.681 253 HA LEU 36 HA LEU 36 6.537 10.052 -0.627 254 1HB LEU 36 2HB LEU 36 4.399 8.587 0.913 255 2HB LEU 36 1HB LEU 36 5.817 7.789 0.260 256 HG LEU 36 HG LEU 36 6.000 10.136 2.160 257 1HD1 LEU 36 1HD1 LEU 36 4.900 7.671 2.811 258 2HD1 LEU 36 2HD1 LEU 36 6.595 7.540 3.336 259 3HD1 LEU 36 3HD1 LEU 36 5.577 8.869 3.940 260 1HD2 LEU 36 1HD2 LEU 36 8.221 9.899 2.073 261 2HD2 LEU 36 2HD2 LEU 36 8.133 8.123 2.123 262 3HD2 LEU 36 3HD2 LEU 36 7.924 8.981 0.578 263 H LEU 37 H LEU 37 3.023 9.467 -1.220 264 HA LEU 37 HA LEU 37 3.808 8.470 -3.870 265 1HB LEU 37 2HB LEU 37 2.688 6.936 -1.975 266 2HB LEU 37 1HB LEU 37 1.231 7.617 -2.670 267 HG LEU 37 HG LEU 37 3.041 6.669 -4.743 268 1HD1 LEU 37 1HD1 LEU 37 2.469 4.860 -2.438 269 2HD1 LEU 37 2HD1 LEU 37 2.397 4.188 -4.084 270 3HD1 LEU 37 3HD1 LEU 37 3.894 4.954 -3.500 271 1HD2 LEU 37 1HD2 LEU 37 1.118 6.100 -5.769 272 2HD2 LEU 37 2HD2 LEU 37 0.422 5.366 -4.303 273 3HD2 LEU 37 3HD2 LEU 37 0.386 7.133 -4.517 274 H ASP 38 H ASP 38 1.776 8.673 -5.428 275 HA ASP 38 HA ASP 38 0.416 11.163 -4.823 276 1HB ASP 38 2HB ASP 38 2.571 11.003 -6.602 277 2HB ASP 38 1HB ASP 38 1.187 10.850 -7.667 278 H SER 39 H SER 39 0.892 8.538 -7.315 279 HA SER 39 HA SER 39 -1.662 7.528 -7.020 280 1HB SER 39 2HB SER 39 -2.620 9.441 -8.056 281 2HB SER 39 1HB SER 39 -1.319 9.583 -9.220 282 HG SER 39 HG SER 39 -2.078 7.615 -10.240 283 H MET 40 H MET 40 0.695 8.328 -9.683 284 HA MET 40 HA MET 40 0.469 6.065 -11.118 285 1HB MET 40 2HB MET 40 2.341 8.246 -10.803 286 2HB MET 40 1HB MET 40 3.289 6.775 -10.898 287 1HG MET 40 2HG MET 40 3.034 7.449 -13.171 288 2HG MET 40 1HG MET 40 1.862 6.160 -12.975 289 1HE MET 40 1HE MET 40 -0.266 6.165 -13.070 290 2HE MET 40 2HE MET 40 -1.441 7.494 -13.217 291 3HE MET 40 3HE MET 40 -0.493 6.984 -14.634 292 H GLY 41 H GLY 41 2.008 6.486 -7.953 293 1HA GLY 41 2HA GLY 41 3.673 4.237 -7.920 294 2HA GLY 41 1HA GLY 41 2.967 5.037 -6.530 295 H THR 42 H THR 42 0.241 4.672 -6.787 296 HA THR 42 HA THR 42 -0.210 2.181 -5.784 297 HB THR 42 HB THR 42 -1.679 4.435 -6.198 298 HG1 THR 42 1HG THR 42 -3.448 2.936 -5.498 299 1HG2 THR 42 1HG2 THR 42 -2.043 3.721 -8.663 300 2HG2 THR 42 2HG2 THR 42 -2.966 2.343 -8.016 301 3HG2 THR 42 3HG2 THR 42 -3.520 4.008 -7.710 302 H VAL 43 H VAL 43 -0.280 3.169 -9.248 303 HA VAL 43 HA VAL 43 -1.281 0.849 -10.306 304 HB VAL 43 HB VAL 43 0.801 2.785 -11.323 305 1HG1 VAL 43 1HG1 VAL 43 1.115 0.724 -12.546 306 2HG1 VAL 43 2HG1 VAL 43 -0.637 0.567 -12.816 307 3HG1 VAL 43 3HG1 VAL 43 0.268 1.889 -13.592 308 1HG2 VAL 43 1HG2 VAL 43 -0.910 4.122 -11.840 309 2HG2 VAL 43 2HG2 VAL 43 -1.773 2.799 -12.660 310 3HG2 VAL 43 3HG2 VAL 43 -1.966 3.036 -10.906 311 H GLN 44 H GLN 44 2.023 1.595 -9.119 312 HA GLN 44 HA GLN 44 3.196 -0.709 -10.144 313 1HB GLN 44 2HB GLN 44 4.503 1.238 -9.393 314 2HB GLN 44 1HB GLN 44 3.953 1.014 -7.743 315 1HG GLN 44 2HG GLN 44 5.421 -0.706 -7.345 316 2HG GLN 44 1HG GLN 44 5.170 -1.423 -8.924 317 1HE2 GLN 44 1HE2 GLN 44 7.643 -1.439 -8.014 318 2HE2 GLN 44 2HE2 GLN 44 8.666 -0.290 -8.810 319 H LEU 45 H LEU 45 2.515 0.005 -6.640 320 HA LEU 45 HA LEU 45 2.830 -2.469 -5.640 321 1HB LEU 45 2HB LEU 45 0.711 -1.616 -4.179 322 2HB LEU 45 1HB LEU 45 2.378 -1.142 -3.926 323 HG LEU 45 HG LEU 45 0.796 0.489 -5.854 324 1HD1 LEU 45 1HD1 LEU 45 -0.924 0.488 -4.333 325 2HD1 LEU 45 2HD1 LEU 45 0.156 0.261 -2.937 326 3HD1 LEU 45 3HD1 LEU 45 0.055 1.849 -3.733 327 1HD2 LEU 45 1HD2 LEU 45 2.509 1.556 -3.641 328 2HD2 LEU 45 2HD2 LEU 45 3.276 0.759 -5.036 329 3HD2 LEU 45 3HD2 LEU 45 2.238 2.184 -5.284 330 H LEU 46 H LEU 46 -0.171 -1.178 -7.201 331 HA LEU 46 HA LEU 46 -1.798 -3.336 -6.810 332 1HB LEU 46 2HB LEU 46 -1.629 -1.067 -8.632 333 2HB LEU 46 1HB LEU 46 -2.399 -2.457 -9.370 334 HG LEU 46 HG LEU 46 -3.252 -0.981 -6.873 335 1HD1 LEU 46 1HD1 LEU 46 -4.510 0.169 -8.292 336 2HD1 LEU 46 2HD1 LEU 46 -3.975 -0.839 -9.658 337 3HD1 LEU 46 3HD1 LEU 46 -5.380 -1.333 -8.684 338 1HD2 LEU 46 1HD2 LEU 46 -3.857 -3.022 -6.114 339 2HD2 LEU 46 2HD2 LEU 46 -5.241 -2.762 -7.203 340 3HD2 LEU 46 3HD2 LEU 46 -3.863 -3.753 -7.738 341 H LEU 47 H LEU 47 0.721 -2.841 -9.346 342 HA LEU 47 HA LEU 47 0.151 -5.295 -10.639 343 1HB LEU 47 2HB LEU 47 1.549 -3.024 -11.235 344 2HB LEU 47 1HB LEU 47 2.848 -4.156 -10.920 345 HG LEU 47 HG LEU 47 2.356 -4.124 -13.277 346 1HD1 LEU 47 1HD1 LEU 47 2.263 -6.417 -13.690 347 2HD1 LEU 47 2HD1 LEU 47 2.882 -6.311 -12.025 348 3HD1 LEU 47 3HD1 LEU 47 1.174 -6.723 -12.315 349 1HD2 LEU 47 1HD2 LEU 47 -0.474 -4.434 -12.364 350 2HD2 LEU 47 2HD2 LEU 47 0.217 -3.398 -13.635 351 3HD2 LEU 47 3HD2 LEU 47 0.007 -5.141 -13.924 352 H GLU 48 H GLU 48 1.934 -4.352 -7.767 353 HA GLU 48 HA GLU 48 3.409 -6.825 -7.785 354 1HB GLU 48 2HB GLU 48 4.032 -4.319 -6.864 355 2HB GLU 48 1HB GLU 48 3.477 -5.064 -5.378 356 1HG GLU 48 2HG GLU 48 5.923 -5.388 -5.693 357 2HG GLU 48 1HG GLU 48 5.077 -6.922 -5.656 358 H LEU 49 H LEU 49 0.344 -5.658 -6.803 359 HA LEU 49 HA LEU 49 0.166 -7.597 -4.622 360 1HB LEU 49 2HB LEU 49 -1.438 -5.187 -5.422 361 2HB LEU 49 1HB LEU 49 -2.119 -6.408 -4.365 362 HG LEU 49 HG LEU 49 0.239 -4.595 -3.856 363 1HD1 LEU 49 1HD1 LEU 49 -1.167 -4.269 -1.698 364 2HD1 LEU 49 2HD1 LEU 49 -1.691 -3.489 -3.211 365 3HD1 LEU 49 3HD1 LEU 49 -2.488 -4.981 -2.655 366 1HD2 LEU 49 1HD2 LEU 49 1.090 -6.649 -3.090 367 2HD2 LEU 49 2HD2 LEU 49 0.431 -5.847 -1.644 368 3HD2 LEU 49 3HD2 LEU 49 -0.484 -7.156 -2.431 369 H GLN 50 H GLN 50 -0.420 -7.216 -7.981 370 HA GLN 50 HA GLN 50 -2.552 -9.188 -7.875 371 1HB GLN 50 2HB GLN 50 -2.986 -7.123 -9.192 372 2HB GLN 50 1HB GLN 50 -1.582 -7.451 -10.189 373 1HG GLN 50 2HG GLN 50 -2.609 -9.208 -11.323 374 2HG GLN 50 1HG GLN 50 -3.598 -9.664 -9.950 375 1HE2 GLN 50 1HE2 GLN 50 -5.102 -9.754 -11.887 376 2HE2 GLN 50 2HE2 GLN 50 -6.060 -8.349 -12.214 377 H SER 51 H SER 51 0.507 -9.533 -7.480 378 HA SER 51 HA SER 51 0.725 -11.654 -9.459 379 1HB SER 51 2HB SER 51 2.360 -9.322 -9.337 380 2HB SER 51 1HB SER 51 3.348 -10.632 -8.721 381 HG SER 51 HG SER 51 2.782 -10.082 -11.285 382 H GLN 52 H GLN 52 2.324 -10.247 -6.500 383 HA GLN 52 HA GLN 52 3.087 -12.832 -5.627 384 1HB GLN 52 2HB GLN 52 3.155 -10.108 -4.261 385 2HB GLN 52 1HB GLN 52 3.831 -11.563 -3.556 386 1HG GLN 52 2HG GLN 52 4.645 -10.743 -6.360 387 2HG GLN 52 1HG GLN 52 5.373 -9.944 -4.981 388 1HE2 GLN 52 1HE2 GLN 52 7.117 -10.804 -4.157 389 2HE2 GLN 52 2HE2 GLN 52 7.652 -12.444 -4.310 390 H PHE 53 H PHE 53 0.255 -10.808 -5.332 391 HA PHE 53 HA PHE 53 -0.756 -12.623 -3.257 392 1HB PHE 53 2HB PHE 53 -1.651 -9.745 -3.827 393 2HB PHE 53 1HB PHE 53 -1.981 -10.683 -2.384 394 HD1 PHE 53 1HD PHE 53 0.947 -9.372 -4.298 395 HD2 PHE 53 2HD PHE 53 -0.731 -10.240 -0.499 396 HE1 PHE 53 1HE PHE 53 2.955 -8.362 -3.180 397 HE2 PHE 53 2HE PHE 53 1.277 -9.230 0.619 398 HZ PHE 53 HZ PHE 53 3.096 -8.303 -0.736 399 H GLY 54 H GLY 54 -1.361 -10.745 -6.249 400 1HA GLY 54 2HA GLY 54 -2.771 -11.234 -7.958 401 2HA GLY 54 1HA GLY 54 -3.342 -12.646 -7.091 402 H VAL 55 H VAL 55 -3.295 -9.151 -6.112 403 HA VAL 55 HA VAL 55 -6.097 -9.406 -5.397 404 HB VAL 55 HB VAL 55 -4.052 -8.307 -4.099 405 1HG1 VAL 55 1HG1 VAL 55 -4.041 -5.870 -4.319 406 2HG1 VAL 55 2HG1 VAL 55 -3.575 -6.643 -5.853 407 3HG1 VAL 55 3HG1 VAL 55 -5.212 -5.970 -5.656 408 1HG2 VAL 55 1HG2 VAL 55 -6.485 -6.668 -3.769 409 2HG2 VAL 55 2HG2 VAL 55 -6.766 -8.426 -3.759 410 3HG2 VAL 55 3HG2 VAL 55 -5.625 -7.700 -2.601 411 H ASP 56 H ASP 56 -7.528 -7.422 -5.950 412 HA ASP 56 HA ASP 56 -6.833 -6.437 -8.591 413 1HB ASP 56 2HB ASP 56 -8.433 -8.435 -8.691 414 2HB ASP 56 1HB ASP 56 -9.601 -7.464 -7.816 415 H ALA 57 H ALA 57 -7.281 -4.211 -8.747 416 HA ALA 57 HA ALA 57 -9.363 -3.062 -7.113 417 1HB ALA 57 1HB ALA 57 -6.819 -1.605 -6.779 418 2HB ALA 57 2HB ALA 57 -8.074 -2.002 -5.582 419 3HB ALA 57 3HB ALA 57 -6.836 -3.208 -6.007 420 HA PRO 58 HA PRO 58 -9.363 -0.830 -10.861 421 1HB PRO 58 2HB PRO 58 -11.662 0.587 -10.438 422 2HB PRO 58 1HB PRO 58 -11.644 -1.043 -11.084 423 1HG PRO 58 2HG PRO 58 -12.375 -0.134 -8.368 424 2HG PRO 58 1HG PRO 58 -12.748 -1.655 -9.154 425 1HD PRO 58 2HD PRO 58 -10.744 -1.203 -7.151 426 2HD PRO 58 1HD PRO 58 -11.040 -2.696 -8.020 427 H VAL 59 H VAL 59 -7.754 0.579 -11.167 428 HA VAL 59 HA VAL 59 -7.312 2.590 -9.215 429 HB VAL 59 HB VAL 59 -6.217 2.374 -12.025 430 1HG1 VAL 59 1HG1 VAL 59 -5.407 4.393 -11.342 431 2HG1 VAL 59 2HG1 VAL 59 -5.548 3.995 -9.614 432 3HG1 VAL 59 3HG1 VAL 59 -4.187 3.355 -10.566 433 1HG2 VAL 59 1HG2 VAL 59 -4.963 0.610 -11.456 434 2HG2 VAL 59 2HG2 VAL 59 -4.498 1.346 -9.905 435 3HG2 VAL 59 3HG2 VAL 59 -6.020 0.432 -10.034 436 H SER 60 H SER 60 -9.680 2.230 -11.595 437 HA SER 60 HA SER 60 -9.823 4.579 -12.892 438 1HB SER 60 2HB SER 60 -12.454 4.196 -12.451 439 2HB SER 60 1HB SER 60 -11.530 3.183 -13.542 440 HG SER 60 HG SER 60 -12.921 2.358 -11.456 441 H GLU 61 H GLU 61 -10.960 3.835 -9.536 442 HA GLU 61 HA GLU 61 -10.342 6.288 -8.533 443 1HB GLU 61 2HB GLU 61 -12.557 6.597 -10.195 444 2HB GLU 61 1HB GLU 61 -13.296 6.429 -8.615 445 1HG GLU 61 2HG GLU 61 -12.410 8.413 -7.829 446 2HG GLU 61 1HG GLU 61 -10.906 8.222 -8.708 447 H PHE 62 H PHE 62 -9.777 4.098 -7.342 448 HA PHE 62 HA PHE 62 -11.911 2.951 -5.837 449 1HB PHE 62 2HB PHE 62 -9.852 1.843 -4.718 450 2HB PHE 62 1HB PHE 62 -9.967 1.602 -6.449 451 HD1 PHE 62 1HD PHE 62 -8.579 4.233 -4.176 452 HD2 PHE 62 2HD PHE 62 -7.965 1.747 -7.560 453 HE1 PHE 62 1HE PHE 62 -6.278 5.192 -4.463 454 HE2 PHE 62 2HE PHE 62 -5.663 2.706 -7.846 455 HZ PHE 62 HZ PHE 62 -4.847 4.418 -6.294 456 H ASP 63 H ASP 63 -10.883 2.610 -3.279 457 HA ASP 63 HA ASP 63 -11.379 5.224 -2.233 458 1HB ASP 63 2HB ASP 63 -12.472 3.280 -1.202 459 2HB ASP 63 1HB ASP 63 -10.925 2.501 -0.933 460 H ARG 64 H ARG 64 -9.307 6.244 -2.929 461 HA ARG 64 HA ARG 64 -6.839 5.288 -2.560 462 1HB ARG 64 2HB ARG 64 -6.187 7.783 -2.195 463 2HB ARG 64 1HB ARG 64 -7.051 7.389 -3.668 464 1HG ARG 64 2HG ARG 64 -8.552 8.990 -3.072 465 2HG ARG 64 1HG ARG 64 -9.128 7.864 -1.859 466 1HD ARG 64 2HD ARG 64 -7.086 8.849 -0.430 467 2HD ARG 64 1HD ARG 64 -7.240 10.204 -1.531 468 HE ARG 64 HE ARG 64 -9.182 9.379 0.523 469 1HH1 ARG 64 2HH2 ARG 64 -8.635 11.297 -2.376 470 2HH1 ARG 64 1HH2 ARG 64 -9.969 12.362 -2.079 471 1HH2 ARG 64 2HH1 ARG 64 -10.941 10.783 0.917 472 2HH2 ARG 64 1HH1 ARG 64 -11.289 12.067 -0.193 473 H LYS 65 H LYS 65 -9.050 6.686 -0.115 474 HA LYS 65 HA LYS 65 -7.267 7.163 1.927 475 1HB LYS 65 2HB LYS 65 -9.357 7.980 2.368 476 2HB LYS 65 1HB LYS 65 -10.181 6.579 1.714 477 1HG LYS 65 2HG LYS 65 -10.053 5.391 3.701 478 2HG LYS 65 1HG LYS 65 -8.502 6.075 4.142 479 1HD LYS 65 2HD LYS 65 -10.733 8.048 4.067 480 2HD LYS 65 1HD LYS 65 -10.921 6.794 5.276 481 1HE LYS 65 2HE LYS 65 -9.389 7.804 6.609 482 2HE LYS 65 1HE LYS 65 -8.173 7.672 5.353 483 1HZ LYS 65 1HZ LYS 65 -8.315 9.873 5.342 484 2HZ LYS 65 2HZ LYS 65 -9.684 9.687 4.473 485 3HZ LYS 65 3HZ LYS 65 -9.768 9.919 6.087 486 H GLU 66 H GLU 66 -8.489 4.115 0.599 487 HA GLU 66 HA GLU 66 -7.553 2.640 2.864 488 1HB GLU 66 2HB GLU 66 -9.527 1.793 1.778 489 2HB GLU 66 1HB GLU 66 -8.780 1.858 0.194 490 1HG GLU 66 2HG GLU 66 -7.303 0.019 0.696 491 2HG GLU 66 1HG GLU 66 -7.636 0.114 2.413 492 H TRP 67 H TRP 67 -6.379 3.728 -0.278 493 HA TRP 67 HA TRP 67 -4.074 1.930 -0.046 494 1HB TRP 67 2HB TRP 67 -4.764 3.638 -2.425 495 2HB TRP 67 1HB TRP 67 -3.694 2.253 -2.345 496 HD1 TRP 67 HD TRP 67 -7.388 3.124 -2.758 497 HE1 TRP 67 1HE TRP 67 -8.836 0.999 -3.352 498 HE3 TRP 67 3HE TRP 67 -3.705 -0.273 -1.896 499 HZ2 TRP 67 2HZ TRP 67 -8.290 -1.802 -3.394 500 HZ3 TRP 67 3HZ TRP 67 -4.246 -2.683 -2.238 501 HH2 TRP 67 HH TRP 67 -6.445 -3.465 -2.960 502 H ASP 68 H ASP 68 -4.810 4.473 1.551 503 HA ASP 68 HA ASP 68 -2.734 6.245 0.612 504 1HB ASP 68 2HB ASP 68 -4.543 7.558 1.258 505 2HB ASP 68 1HB ASP 68 -5.070 6.421 2.483 506 H THR 69 H THR 69 -3.654 4.028 3.277 507 HA THR 69 HA THR 69 -1.026 4.509 4.523 508 HB THR 69 HB THR 69 -2.407 3.417 6.533 509 HG1 THR 69 1HG THR 69 -4.695 4.004 6.177 510 1HG2 THR 69 1HG2 THR 69 -2.624 5.549 7.378 511 2HG2 THR 69 2HG2 THR 69 -1.796 6.055 5.885 512 3HG2 THR 69 3HG2 THR 69 -3.574 6.097 5.976 513 HA PRO 70 HA PRO 70 -0.008 0.397 3.850 514 1HB PRO 70 2HB PRO 70 1.460 -0.278 6.055 515 2HB PRO 70 1HB PRO 70 2.104 0.667 4.728 516 1HG PRO 70 2HG PRO 70 1.281 1.571 7.419 517 2HG PRO 70 1HG PRO 70 2.300 2.388 6.252 518 1HD PRO 70 2HD PRO 70 -0.443 2.979 6.844 519 2HD PRO 70 1HD PRO 70 0.542 3.716 5.596 520 H ASN 71 H ASN 71 -1.375 0.925 7.033 521 HA ASN 71 HA ASN 71 -1.980 -1.722 7.509 522 1HB ASN 71 2HB ASN 71 -2.585 0.885 8.662 523 2HB ASN 71 1HB ASN 71 -4.051 -0.074 8.645 524 1HD2 ASN 71 1HD2 ASN 71 -2.787 0.713 10.972 525 2HD2 ASN 71 2HD2 ASN 71 -2.161 -0.665 11.814 526 H LYS 72 H LYS 72 -4.051 1.019 6.273 527 HA LYS 72 HA LYS 72 -6.356 -0.377 5.818 528 1HB LYS 72 2HB LYS 72 -5.139 2.134 4.880 529 2HB LYS 72 1HB LYS 72 -6.299 1.451 3.758 530 1HG LYS 72 2HG LYS 72 -8.087 1.732 5.204 531 2HG LYS 72 1HG LYS 72 -7.124 1.419 6.635 532 1HD LYS 72 2HD LYS 72 -6.515 3.632 6.885 533 2HD LYS 72 1HD LYS 72 -6.400 3.911 5.159 534 1HE LYS 72 2HE LYS 72 -8.310 5.147 6.296 535 2HE LYS 72 1HE LYS 72 -8.799 4.157 4.935 536 1HZ LYS 72 1HZ LYS 72 -10.264 3.640 6.629 537 2HZ LYS 72 2HZ LYS 72 -9.218 2.386 6.660 538 3HZ LYS 72 3HZ LYS 72 -9.110 3.567 7.783 539 H ILE 73 H ILE 73 -3.331 -0.306 3.925 540 HA ILE 73 HA ILE 73 -4.511 -1.711 1.723 541 HB ILE 73 HB ILE 73 -1.781 -0.733 2.460 542 1HG1 ILE 73 2HG1 ILE 73 -3.670 -0.259 0.138 543 2HG1 ILE 73 1HG1 ILE 73 -3.291 0.854 1.437 544 1HG2 ILE 73 1HG2 ILE 73 -2.432 -2.916 0.517 545 2HG2 ILE 73 2HG2 ILE 73 -1.168 -1.733 0.105 546 3HG2 ILE 73 3HG2 ILE 73 -1.023 -2.713 1.584 547 1HD1 ILE 73 1HD1 ILE 73 -1.696 0.142 -0.976 548 2HD1 ILE 73 2HD1 ILE 73 -1.754 1.666 -0.059 549 3HD1 ILE 73 3HD1 ILE 73 -0.761 0.312 0.530 550 H ILE 74 H ILE 74 -2.104 -2.513 4.324 551 HA ILE 74 HA ILE 74 -1.701 -5.127 3.736 552 HB ILE 74 HB ILE 74 -1.620 -3.454 6.160 553 1HG1 ILE 74 2HG1 ILE 74 0.317 -5.501 5.044 554 2HG1 ILE 74 1HG1 ILE 74 0.270 -3.820 4.550 555 1HG2 ILE 74 1HG2 ILE 74 -2.837 -5.297 7.112 556 2HG2 ILE 74 2HG2 ILE 74 -1.742 -6.474 6.350 557 3HG2 ILE 74 3HG2 ILE 74 -1.138 -5.399 7.632 558 1HD1 ILE 74 1HD1 ILE 74 0.634 -3.128 6.939 559 2HD1 ILE 74 2HD1 ILE 74 0.768 -4.846 7.382 560 3HD1 ILE 74 3HD1 ILE 74 1.970 -4.111 6.294 561 H ALA 75 H ALA 75 -4.641 -3.587 4.931 562 HA ALA 75 HA ALA 75 -5.824 -6.055 5.789 563 1HB ALA 75 1HB ALA 75 -6.304 -3.771 6.756 564 2HB ALA 75 2HB ALA 75 -7.129 -3.366 5.232 565 3HB ALA 75 3HB ALA 75 -7.752 -4.680 6.259 566 H LYS 76 H LYS 76 -6.072 -3.817 2.956 567 HA LYS 76 HA LYS 76 -8.079 -5.270 1.657 568 1HB LYS 76 2HB LYS 76 -7.224 -2.862 1.271 569 2HB LYS 76 1HB LYS 76 -5.990 -3.594 0.265 570 1HG LYS 76 2HG LYS 76 -7.838 -3.013 -1.186 571 2HG LYS 76 1HG LYS 76 -7.824 -4.760 -1.046 572 1HD LYS 76 2HD LYS 76 -9.713 -4.794 0.396 573 2HD LYS 76 1HD LYS 76 -9.507 -3.120 0.870 574 1HE LYS 76 2HE LYS 76 -10.948 -2.484 -0.759 575 2HE LYS 76 1HE LYS 76 -9.850 -3.110 -1.973 576 1HZ LYS 76 1HZ LYS 76 -12.294 -4.108 -1.347 577 2HZ LYS 76 2HZ LYS 76 -11.172 -4.829 -2.289 578 3HZ LYS 76 3HZ LYS 76 -11.261 -5.195 -0.700 579 H VAL 77 H VAL 77 -4.518 -5.573 1.779 580 HA VAL 77 HA VAL 77 -4.458 -7.502 -0.333 581 HB VAL 77 HB VAL 77 -2.473 -6.455 1.677 582 1HG1 VAL 77 1HG1 VAL 77 -2.353 -8.943 0.145 583 2HG1 VAL 77 2HG1 VAL 77 -0.999 -7.847 -0.223 584 3HG1 VAL 77 3HG1 VAL 77 -1.303 -8.353 1.456 585 1HG2 VAL 77 1HG2 VAL 77 -1.762 -5.062 0.046 586 2HG2 VAL 77 2HG2 VAL 77 -1.973 -6.282 -1.234 587 3HG2 VAL 77 3HG2 VAL 77 -3.376 -5.356 -0.646 588 H GLU 78 H GLU 78 -4.956 -7.472 3.162 589 HA GLU 78 HA GLU 78 -4.385 -10.267 3.382 590 1HB GLU 78 2HB GLU 78 -5.315 -8.113 5.301 591 2HB GLU 78 1HB GLU 78 -5.381 -9.799 5.771 592 1HG GLU 78 2HG GLU 78 -2.805 -8.886 4.542 593 2HG GLU 78 1HG GLU 78 -3.175 -8.225 6.121 594 H GLN 79 H GLN 79 -7.093 -8.194 2.626 595 HA GLN 79 HA GLN 79 -8.999 -10.221 3.371 596 1HB GLN 79 2HB GLN 79 -9.048 -7.356 2.932 597 2HB GLN 79 1HB GLN 79 -10.254 -8.109 1.907 598 1HG GLN 79 2HG GLN 79 -11.371 -7.689 3.983 599 2HG GLN 79 1HG GLN 79 -11.046 -9.411 3.978 600 1HE2 GLN 79 1HE2 GLN 79 -10.200 -6.304 5.296 601 2HE2 GLN 79 2HE2 GLN 79 -9.257 -6.848 6.644 602 H ALA 80 H ALA 80 -6.862 -10.431 1.124 603 HA ALA 80 HA ALA 80 -8.731 -10.935 -1.087 604 1HB ALA 80 1HB ALA 80 -6.660 -9.285 -1.208 605 2HB ALA 80 2HB ALA 80 -5.744 -10.796 -1.423 606 3HB ALA 80 3HB ALA 80 -7.037 -10.368 -2.569 607 H GLN 81 H GLN 81 -5.902 -12.201 0.777 608 HA GLN 81 HA GLN 81 -5.600 -14.571 -0.487 609 1HB GLN 81 2HB GLN 81 -5.399 -14.040 2.510 610 2HB GLN 81 1HB GLN 81 -4.685 -15.412 1.684 611 1HG GLN 81 2HG GLN 81 -3.938 -12.480 1.468 612 2HG GLN 81 1HG GLN 81 -2.903 -13.845 1.837 613 1HE2 GLN 81 1HE2 GLN 81 -3.996 -11.740 -0.521 614 2HE2 GLN 81 2HE2 GLN 81 -3.411 -12.533 -1.944 Start of MODEL 13 1 H ALA 2 H ALA 2 -2.890 -17.438 4.352 2 HA ALA 2 HA ALA 2 -2.494 -14.997 5.845 3 1HB ALA 2 1HB ALA 2 -3.461 -16.146 7.590 4 2HB ALA 2 2HB ALA 2 -4.108 -17.106 6.239 5 3HB ALA 2 3HB ALA 2 -2.690 -17.688 7.145 6 H ASP 3 H ASP 3 -0.233 -14.975 4.630 7 HA ASP 3 HA ASP 3 1.613 -16.496 6.297 8 1HB ASP 3 2HB ASP 3 1.473 -16.606 3.602 9 2HB ASP 3 1HB ASP 3 2.477 -15.175 3.728 10 H GLU 4 H GLU 4 3.911 -15.180 6.289 11 HA GLU 4 HA GLU 4 3.187 -12.490 7.102 12 1HB GLU 4 2HB GLU 4 5.231 -12.512 8.433 13 2HB GLU 4 1HB GLU 4 4.318 -13.970 8.766 14 1HG GLU 4 2HG GLU 4 5.775 -15.084 6.900 15 2HG GLU 4 1HG GLU 4 6.815 -13.680 7.053 16 H ALA 5 H ALA 5 4.675 -14.264 4.552 17 HA ALA 5 HA ALA 5 6.619 -12.316 3.817 18 1HB ALA 5 1HB ALA 5 5.905 -13.914 1.587 19 2HB ALA 5 2HB ALA 5 7.291 -14.133 2.680 20 3HB ALA 5 3HB ALA 5 5.753 -14.961 3.018 21 H ILE 6 H ILE 6 3.220 -12.361 3.786 22 HA ILE 6 HA ILE 6 3.036 -10.781 1.348 23 HB ILE 6 HB ILE 6 1.212 -12.394 3.001 24 1HG1 ILE 6 2HG1 ILE 6 1.396 -11.688 0.060 25 2HG1 ILE 6 1HG1 ILE 6 1.947 -13.163 0.827 26 1HG2 ILE 6 1HG2 ILE 6 -0.730 -10.997 1.880 27 2HG2 ILE 6 2HG2 ILE 6 -0.073 -10.561 3.476 28 3HG2 ILE 6 3HG2 ILE 6 0.450 -9.673 2.025 29 1HD1 ILE 6 1HD1 ILE 6 -0.829 -12.305 0.131 30 2HD1 ILE 6 2HD1 ILE 6 -0.115 -13.934 0.156 31 3HD1 ILE 6 3HD1 ILE 6 -0.646 -13.172 1.674 32 H LYS 7 H LYS 7 2.421 -10.565 4.906 33 HA LYS 7 HA LYS 7 1.624 -7.866 4.810 34 1HB LYS 7 2HB LYS 7 1.526 -9.863 6.664 35 2HB LYS 7 1HB LYS 7 2.839 -8.896 7.306 36 1HG LYS 7 2HG LYS 7 1.027 -6.925 6.620 37 2HG LYS 7 1HG LYS 7 -0.056 -8.232 7.056 38 1HD LYS 7 2HD LYS 7 2.262 -7.693 8.901 39 2HD LYS 7 1HD LYS 7 0.957 -6.523 8.892 40 1HE LYS 7 2HE LYS 7 -0.571 -8.728 9.061 41 2HE LYS 7 1HE LYS 7 0.897 -9.429 9.713 42 1HZ LYS 7 1HZ LYS 7 0.890 -7.952 11.461 43 2HZ LYS 7 2HZ LYS 7 -0.092 -6.875 10.727 44 3HZ LYS 7 3HZ LYS 7 -0.700 -8.283 11.290 45 H ASN 8 H ASN 8 4.767 -9.539 5.027 46 HA ASN 8 HA ASN 8 6.167 -7.209 5.763 47 1HB ASN 8 2HB ASN 8 6.775 -9.868 5.789 48 2HB ASN 8 1HB ASN 8 7.548 -9.440 4.276 49 1HD2 ASN 8 1HD2 ASN 8 9.040 -10.346 6.333 50 2HD2 ASN 8 2HD2 ASN 8 10.031 -9.095 7.006 51 H GLY 9 H GLY 9 5.822 -9.171 2.709 52 1HA GLY 9 2HA GLY 9 7.353 -7.631 1.005 53 2HA GLY 9 1HA GLY 9 5.974 -8.609 0.539 54 H VAL 10 H VAL 10 3.810 -7.348 1.776 55 HA VAL 10 HA VAL 10 3.239 -5.299 0.027 56 HB VAL 10 HB VAL 10 2.116 -6.245 2.638 57 1HG1 VAL 10 1HG1 VAL 10 0.204 -4.653 2.307 58 2HG1 VAL 10 2HG1 VAL 10 1.733 -3.875 2.782 59 3HG1 VAL 10 3HG1 VAL 10 1.188 -3.807 1.089 60 1HG2 VAL 10 1HG2 VAL 10 0.190 -6.167 0.571 61 2HG2 VAL 10 2HG2 VAL 10 1.695 -6.763 -0.169 62 3HG2 VAL 10 3HG2 VAL 10 1.011 -7.594 1.248 63 H LEU 11 H LEU 11 4.607 -5.208 3.359 64 HA LEU 11 HA LEU 11 4.584 -2.363 3.456 65 1HB LEU 11 2HB LEU 11 4.864 -4.450 5.257 66 2HB LEU 11 1HB LEU 11 6.460 -3.727 5.224 67 HG LEU 11 HG LEU 11 3.859 -2.562 6.143 68 1HD1 LEU 11 1HD1 LEU 11 6.684 -2.586 7.235 69 2HD1 LEU 11 2HD1 LEU 11 5.308 -1.753 7.998 70 3HD1 LEU 11 3HD1 LEU 11 5.288 -3.524 7.818 71 1HD2 LEU 11 1HD2 LEU 11 4.291 -0.782 4.773 72 2HD2 LEU 11 2HD2 LEU 11 5.257 -0.321 6.195 73 3HD2 LEU 11 3HD2 LEU 11 6.050 -1.054 4.780 74 H ASP 12 H ASP 12 7.098 -4.899 2.846 75 HA ASP 12 HA ASP 12 9.224 -3.222 2.600 76 1HB ASP 12 2HB ASP 12 8.835 -5.899 2.335 77 2HB ASP 12 1HB ASP 12 8.976 -5.490 0.638 78 H ILE 13 H ILE 13 6.864 -4.396 0.094 79 HA ILE 13 HA ILE 13 8.029 -3.058 -2.066 80 HB ILE 13 HB ILE 13 5.501 -4.454 -1.464 81 1HG1 ILE 13 2HG1 ILE 13 6.819 -4.654 -4.104 82 2HG1 ILE 13 1HG1 ILE 13 7.829 -5.090 -2.739 83 1HG2 ILE 13 1HG2 ILE 13 4.460 -2.528 -2.360 84 2HG2 ILE 13 2HG2 ILE 13 5.694 -2.357 -3.632 85 3HG2 ILE 13 3HG2 ILE 13 4.540 -3.713 -3.686 86 1HD1 ILE 13 1HD1 ILE 13 6.786 -7.132 -3.169 87 2HD1 ILE 13 2HD1 ILE 13 5.670 -6.451 -1.961 88 3HD1 ILE 13 3HD1 ILE 13 5.268 -6.366 -3.693 89 H LEU 14 H LEU 14 6.154 -1.944 0.664 90 HA LEU 14 HA LEU 14 5.261 0.442 -0.675 91 1HB LEU 14 2HB LEU 14 4.509 -1.030 1.587 92 2HB LEU 14 1HB LEU 14 5.113 0.491 2.212 93 HG LEU 14 HG LEU 14 3.554 1.677 0.623 94 1HD1 LEU 14 1HD1 LEU 14 2.894 0.315 -1.069 95 2HD1 LEU 14 2HD1 LEU 14 2.884 -1.144 -0.048 96 3HD1 LEU 14 3HD1 LEU 14 1.540 0.019 0.048 97 1HD2 LEU 14 1HD2 LEU 14 2.602 -0.059 2.884 98 2HD2 LEU 14 2HD2 LEU 14 2.843 1.704 2.826 99 3HD2 LEU 14 3HD2 LEU 14 1.459 0.966 1.984 100 H ALA 15 H ALA 15 7.380 -0.181 2.217 101 HA ALA 15 HA ALA 15 8.467 2.368 2.264 102 1HB ALA 15 1HB ALA 15 10.419 0.608 3.259 103 2HB ALA 15 2HB ALA 15 9.125 1.404 4.188 104 3HB ALA 15 3HB ALA 15 8.872 -0.230 3.528 105 H ASP 16 H ASP 16 8.955 -0.284 0.052 106 HA ASP 16 HA ASP 16 11.571 0.547 -0.698 107 1HB ASP 16 2HB ASP 16 10.952 -1.804 -0.928 108 2HB ASP 16 1HB ASP 16 9.548 -1.396 -1.894 109 H LEU 17 H LEU 17 8.172 1.059 -1.656 110 HA LEU 17 HA LEU 17 8.763 2.157 -4.213 111 1HB LEU 17 2HB LEU 17 6.496 1.307 -2.768 112 2HB LEU 17 1HB LEU 17 6.237 3.004 -3.124 113 HG LEU 17 HG LEU 17 7.172 1.902 -5.533 114 1HD1 LEU 17 1HD1 LEU 17 5.605 0.044 -5.953 115 2HD1 LEU 17 2HD1 LEU 17 6.809 -0.346 -4.702 116 3HD1 LEU 17 3HD1 LEU 17 5.142 0.064 -4.235 117 1HD2 LEU 17 1HD2 LEU 17 4.605 2.153 -6.079 118 2HD2 LEU 17 2HD2 LEU 17 4.569 2.927 -4.476 119 3HD2 LEU 17 3HD2 LEU 17 5.625 3.575 -5.754 120 H THR 18 H THR 18 7.771 3.573 -1.018 121 HA THR 18 HA THR 18 8.021 6.236 -1.855 122 HB THR 18 HB THR 18 8.099 6.588 0.691 123 HG1 THR 18 1HG THR 18 9.229 4.333 0.741 124 1HG2 THR 18 1HG2 THR 18 5.885 5.579 1.151 125 2HG2 THR 18 2HG2 THR 18 5.882 6.286 -0.483 126 3HG2 THR 18 3HG2 THR 18 6.048 4.526 -0.275 127 H GLY 19 H GLY 19 10.422 3.812 -1.141 128 1HA GLY 19 2HA GLY 19 12.667 3.916 -1.328 129 2HA GLY 19 1HA GLY 19 12.525 5.560 -1.918 130 H SER 20 H SER 20 11.098 4.546 1.193 131 HA SER 20 HA SER 20 13.366 5.550 2.632 132 1HB SER 20 2HB SER 20 10.705 6.991 2.512 133 2HB SER 20 1HB SER 20 11.673 7.074 3.970 134 HG SER 20 HG SER 20 12.117 8.837 2.481 135 H ASP 21 H ASP 21 12.967 5.291 5.093 136 HA ASP 21 HA ASP 21 11.296 2.934 5.427 137 1HB ASP 21 2HB ASP 21 13.932 3.793 6.446 138 2HB ASP 21 1HB ASP 21 12.882 3.231 7.730 139 H ASP 22 H ASP 22 9.378 4.443 5.666 140 HA ASP 22 HA ASP 22 9.392 5.660 8.316 141 1HB ASP 22 2HB ASP 22 9.080 6.998 5.902 142 2HB ASP 22 1HB ASP 22 7.413 6.678 6.338 143 H VAL 23 H VAL 23 7.522 4.111 5.630 144 HA VAL 23 HA VAL 23 5.205 3.703 7.258 145 HB VAL 23 HB VAL 23 4.301 2.634 5.334 146 1HG1 VAL 23 1HG1 VAL 23 4.369 5.034 5.154 147 2HG1 VAL 23 2HG1 VAL 23 6.051 4.994 4.572 148 3HG1 VAL 23 3HG1 VAL 23 4.741 4.346 3.555 149 1HG2 VAL 23 1HG2 VAL 23 7.170 2.268 4.567 150 2HG2 VAL 23 2HG2 VAL 23 5.800 1.138 4.452 151 3HG2 VAL 23 3HG2 VAL 23 5.967 2.458 3.270 152 H LYS 24 H LYS 24 8.154 1.916 6.359 153 HA LYS 24 HA LYS 24 7.444 -0.645 6.911 154 1HB LYS 24 2HB LYS 24 9.636 0.096 6.053 155 2HB LYS 24 1HB LYS 24 10.047 0.737 7.632 156 1HG LYS 24 2HG LYS 24 9.153 -2.142 7.453 157 2HG LYS 24 1HG LYS 24 10.766 -1.743 6.897 158 1HD LYS 24 2HD LYS 24 11.524 -1.194 9.024 159 2HD LYS 24 1HD LYS 24 9.965 -0.585 9.545 160 1HE LYS 24 2HE LYS 24 9.484 -2.569 10.534 161 2HE LYS 24 1HE LYS 24 9.672 -3.408 9.007 162 1HZ LYS 24 1HZ LYS 24 11.599 -3.034 11.126 163 2HZ LYS 24 2HZ LYS 24 11.341 -4.334 10.171 164 3HZ LYS 24 3HZ LYS 24 12.182 -3.055 9.602 165 H LYS 25 H LYS 25 7.649 2.090 9.115 166 HA LYS 25 HA LYS 25 7.351 0.250 11.377 167 1HB LYS 25 2HB LYS 25 9.238 1.866 11.457 168 2HB LYS 25 1HB LYS 25 8.095 3.190 11.370 169 1HG LYS 25 2HG LYS 25 7.622 1.107 13.491 170 2HG LYS 25 1HG LYS 25 8.978 2.192 13.726 171 1HD LYS 25 2HD LYS 25 7.426 4.155 13.382 172 2HD LYS 25 1HD LYS 25 6.082 3.038 13.240 173 1HE LYS 25 2HE LYS 25 7.891 2.976 15.683 174 2HE LYS 25 1HE LYS 25 6.572 4.124 15.580 175 1HZ LYS 25 1HZ LYS 25 5.489 1.746 14.836 176 2HZ LYS 25 2HZ LYS 25 6.467 1.355 16.084 177 3HZ LYS 25 3HZ LYS 25 5.303 2.483 16.282 178 H ASN 26 H ASN 26 6.230 3.640 10.774 179 HA ASN 26 HA ASN 26 3.970 3.457 12.210 180 1HB ASN 26 2HB ASN 26 4.727 5.052 9.744 181 2HB ASN 26 1HB ASN 26 3.087 5.181 10.349 182 1HD2 ASN 26 1HD2 ASN 26 6.214 6.312 10.572 183 2HD2 ASN 26 2HD2 ASN 26 6.132 7.183 12.067 184 H LEU 27 H LEU 27 1.767 2.813 11.772 185 HA LEU 27 HA LEU 27 1.427 1.330 9.256 186 1HB LEU 27 2HB LEU 27 0.282 0.753 11.993 187 2HB LEU 27 1HB LEU 27 -0.160 -0.092 10.522 188 HG LEU 27 HG LEU 27 2.701 -0.001 11.478 189 1HD1 LEU 27 1HD1 LEU 27 2.110 -1.142 13.300 190 2HD1 LEU 27 2HD1 LEU 27 0.450 -1.397 12.710 191 3HD1 LEU 27 3HD1 LEU 27 1.754 -2.496 12.202 192 1HD2 LEU 27 1HD2 LEU 27 1.148 -1.536 9.438 193 2HD2 LEU 27 2HD2 LEU 27 2.780 -0.829 9.350 194 3HD2 LEU 27 3HD2 LEU 27 2.512 -2.337 10.255 195 H ASP 28 H ASP 28 1.005 4.238 9.829 196 HA ASP 28 HA ASP 28 -1.615 4.330 8.744 197 1HB ASP 28 2HB ASP 28 -1.304 4.651 11.572 198 2HB ASP 28 1HB ASP 28 -1.581 6.258 10.929 199 H LEU 29 H LEU 29 1.228 5.022 8.089 200 HA LEU 29 HA LEU 29 1.349 7.901 8.285 201 1HB LEU 29 2HB LEU 29 3.299 6.314 8.570 202 2HB LEU 29 1HB LEU 29 3.221 6.027 6.843 203 HG LEU 29 HG LEU 29 3.393 8.661 6.702 204 1HD1 LEU 29 1HD1 LEU 29 3.300 9.360 8.913 205 2HD1 LEU 29 2HD1 LEU 29 4.338 8.032 9.487 206 3HD1 LEU 29 3HD1 LEU 29 5.046 9.378 8.562 207 1HD2 LEU 29 1HD2 LEU 29 5.226 6.491 6.539 208 2HD2 LEU 29 2HD2 LEU 29 5.291 8.072 5.723 209 3HD2 LEU 29 3HD2 LEU 29 6.063 7.859 7.312 210 H ASN 30 H ASN 30 -0.270 8.825 7.052 211 HA ASN 30 HA ASN 30 -1.429 7.989 4.855 212 1HB ASN 30 2HB ASN 30 -0.716 10.650 5.938 213 2HB ASN 30 1HB ASN 30 -0.929 10.688 4.199 214 1HD2 ASN 30 1HD2 ASN 30 -2.472 8.603 6.617 215 2HD2 ASN 30 2HD2 ASN 30 -4.106 9.110 6.345 216 H LEU 31 H LEU 31 -0.729 7.320 2.817 217 HA LEU 31 HA LEU 31 2.002 7.914 2.066 218 1HB LEU 31 2HB LEU 31 -0.105 6.126 0.844 219 2HB LEU 31 1HB LEU 31 1.531 6.298 0.240 220 HG LEU 31 HG LEU 31 0.887 5.343 3.039 221 1HD1 LEU 31 1HD1 LEU 31 -0.006 3.912 1.078 222 2HD1 LEU 31 2HD1 LEU 31 1.705 3.514 0.795 223 3HD1 LEU 31 3HD1 LEU 31 0.948 3.124 2.357 224 1HD2 LEU 31 1HD2 LEU 31 3.375 4.389 1.995 225 2HD2 LEU 31 2HD2 LEU 31 3.303 6.156 1.795 226 3HD2 LEU 31 3HD2 LEU 31 3.071 5.433 3.405 227 H PHE 32 H PHE 32 -0.576 9.794 2.045 228 HA PHE 32 HA PHE 32 0.009 10.813 -0.644 229 1HB PHE 32 2HB PHE 32 -2.519 10.071 0.782 230 2HB PHE 32 1HB PHE 32 -2.578 11.670 0.068 231 HD1 PHE 32 1HD PHE 32 -1.881 8.114 -0.749 232 HD2 PHE 32 2HD PHE 32 -3.010 11.932 -2.217 233 HE1 PHE 32 1HE PHE 32 -2.413 7.099 -2.982 234 HE2 PHE 32 2HE PHE 32 -3.542 10.917 -4.450 235 HZ PHE 32 HZ PHE 32 -3.237 8.512 -4.805 236 H GLU 33 H GLU 33 -1.456 11.634 2.584 237 HA GLU 33 HA GLU 33 -1.049 14.379 2.210 238 1HB GLU 33 2HB GLU 33 -2.285 12.653 4.138 239 2HB GLU 33 1HB GLU 33 -1.180 13.691 5.016 240 1HG GLU 33 2HG GLU 33 -3.155 14.983 4.952 241 2HG GLU 33 1HG GLU 33 -2.218 15.652 3.630 242 H THR 34 H THR 34 1.099 11.795 2.907 243 HA THR 34 HA THR 34 2.961 13.513 4.369 244 HB THR 34 HB THR 34 3.193 10.555 3.625 245 HG1 THR 34 1HG THR 34 1.968 12.060 5.822 246 1HG2 THR 34 1HG2 THR 34 4.221 12.048 6.080 247 2HG2 THR 34 2HG2 THR 34 4.686 10.426 5.512 248 3HG2 THR 34 3HG2 THR 34 5.212 11.869 4.612 249 H GLY 35 H GLY 35 2.203 12.495 1.153 250 1HA GLY 35 2HA GLY 35 3.182 13.218 -0.770 251 2HA GLY 35 1HA GLY 35 4.495 13.930 0.149 252 H LEU 36 H LEU 36 4.053 10.780 1.313 253 HA LEU 36 HA LEU 36 6.500 9.880 0.380 254 1HB LEU 36 2HB LEU 36 4.138 8.674 1.734 255 2HB LEU 36 1HB LEU 36 5.318 7.586 1.031 256 HG LEU 36 HG LEU 36 5.599 8.147 3.487 257 1HD1 LEU 36 1HD1 LEU 36 7.407 7.061 2.500 258 2HD1 LEU 36 2HD1 LEU 36 7.806 8.449 1.460 259 3HD1 LEU 36 3HD1 LEU 36 8.135 8.522 3.209 260 1HD2 LEU 36 1HD2 LEU 36 6.264 10.209 4.235 261 2HD2 LEU 36 2HD2 LEU 36 6.936 10.694 2.659 262 3HD2 LEU 36 3HD2 LEU 36 5.174 10.680 2.908 263 H LEU 37 H LEU 37 3.158 9.401 -0.878 264 HA LEU 37 HA LEU 37 4.400 8.270 -3.290 265 1HB LEU 37 2HB LEU 37 2.228 7.298 -1.597 266 2HB LEU 37 1HB LEU 37 1.767 7.426 -3.283 267 HG LEU 37 HG LEU 37 4.001 5.777 -2.091 268 1HD1 LEU 37 1HD1 LEU 37 1.412 5.153 -3.502 269 2HD1 LEU 37 2HD1 LEU 37 2.736 3.969 -3.396 270 3HD1 LEU 37 3HD1 LEU 37 1.987 4.601 -1.911 271 1HD2 LEU 37 1HD2 LEU 37 5.100 6.493 -3.982 272 2HD2 LEU 37 2HD2 LEU 37 4.253 5.053 -4.596 273 3HD2 LEU 37 3HD2 LEU 37 3.600 6.676 -4.922 274 H ASP 38 H ASP 38 2.752 8.547 -5.241 275 HA ASP 38 HA ASP 38 1.765 11.284 -5.039 276 1HB ASP 38 2HB ASP 38 2.168 10.939 -7.728 277 2HB ASP 38 1HB ASP 38 3.341 11.669 -6.651 278 H SER 39 H SER 39 1.569 8.981 -7.803 279 HA SER 39 HA SER 39 -1.105 8.236 -7.117 280 1HB SER 39 2HB SER 39 -2.212 9.191 -9.014 281 2HB SER 39 1HB SER 39 -1.293 10.494 -8.286 282 HG SER 39 HG SER 39 -1.123 9.506 -10.820 283 H MET 40 H MET 40 1.416 8.412 -9.725 284 HA MET 40 HA MET 40 0.580 6.081 -10.997 285 1HB MET 40 2HB MET 40 3.226 7.617 -10.891 286 2HB MET 40 1HB MET 40 3.025 6.214 -11.923 287 1HG MET 40 2HG MET 40 1.227 8.685 -12.024 288 2HG MET 40 1HG MET 40 2.583 8.412 -13.100 289 1HE MET 40 1HE MET 40 1.971 4.894 -14.016 290 2HE MET 40 2HE MET 40 1.863 5.944 -15.449 291 3HE MET 40 3HE MET 40 3.017 6.328 -14.150 292 H GLY 41 H GLY 41 2.278 6.610 -8.017 293 1HA GLY 41 2HA GLY 41 3.944 4.340 -7.944 294 2HA GLY 41 1HA GLY 41 3.330 5.243 -6.573 295 H THR 42 H THR 42 0.648 4.921 -6.503 296 HA THR 42 HA THR 42 0.247 2.426 -5.452 297 HB THR 42 HB THR 42 -1.176 4.791 -5.744 298 HG1 THR 42 1HG THR 42 -2.019 2.061 -5.063 299 1HG2 THR 42 1HG2 THR 42 -3.341 4.197 -6.729 300 2HG2 THR 42 2HG2 THR 42 -2.093 3.944 -7.972 301 3HG2 THR 42 3HG2 THR 42 -2.769 2.552 -7.094 302 H VAL 43 H VAL 43 0.001 3.459 -8.862 303 HA VAL 43 HA VAL 43 -1.351 1.233 -9.820 304 HB VAL 43 HB VAL 43 0.742 2.996 -11.107 305 1HG1 VAL 43 1HG1 VAL 43 0.586 1.029 -12.448 306 2HG1 VAL 43 2HG1 VAL 43 -1.187 0.992 -12.312 307 3HG1 VAL 43 3HG1 VAL 43 -0.394 2.278 -13.252 308 1HG2 VAL 43 1HG2 VAL 43 -1.897 3.513 -12.050 309 2HG2 VAL 43 2HG2 VAL 43 -1.951 3.498 -10.271 310 3HG2 VAL 43 3HG2 VAL 43 -0.823 4.583 -11.118 311 H GLN 44 H GLN 44 2.001 1.694 -8.758 312 HA GLN 44 HA GLN 44 2.963 -0.622 -10.045 313 1HB GLN 44 2HB GLN 44 4.437 1.257 -9.387 314 2HB GLN 44 1HB GLN 44 4.080 0.972 -7.695 315 1HG GLN 44 2HG GLN 44 5.324 -1.023 -7.619 316 2HG GLN 44 1HG GLN 44 5.137 -1.335 -9.332 317 1HE2 GLN 44 1HE2 GLN 44 7.214 -1.545 -9.903 318 2HE2 GLN 44 2HE2 GLN 44 8.413 -0.297 -9.816 319 H LEU 45 H LEU 45 2.578 0.093 -6.492 320 HA LEU 45 HA LEU 45 2.904 -2.383 -5.510 321 1HB LEU 45 2HB LEU 45 0.893 -1.498 -3.925 322 2HB LEU 45 1HB LEU 45 2.580 -1.042 -3.777 323 HG LEU 45 HG LEU 45 0.888 0.600 -5.605 324 1HD1 LEU 45 1HD1 LEU 45 0.329 1.975 -3.431 325 2HD1 LEU 45 2HD1 LEU 45 -0.721 0.643 -3.972 326 3HD1 LEU 45 3HD1 LEU 45 0.445 0.379 -2.653 327 1HD2 LEU 45 1HD2 LEU 45 2.410 2.253 -5.192 328 2HD2 LEU 45 2HD2 LEU 45 2.736 1.701 -3.532 329 3HD2 LEU 45 3HD2 LEU 45 3.434 0.824 -4.914 330 H LEU 46 H LEU 46 -0.141 -1.050 -6.935 331 HA LEU 46 HA LEU 46 -1.791 -3.173 -6.431 332 1HB LEU 46 2HB LEU 46 -1.758 -0.842 -8.071 333 2HB LEU 46 1HB LEU 46 -2.332 -2.180 -9.046 334 HG LEU 46 HG LEU 46 -3.506 -1.170 -6.446 335 1HD1 LEU 46 1HD1 LEU 46 -4.846 -1.394 -9.144 336 2HD1 LEU 46 2HD1 LEU 46 -5.377 -0.488 -7.707 337 3HD1 LEU 46 3HD1 LEU 46 -3.954 0.057 -8.628 338 1HD2 LEU 46 1HD2 LEU 46 -4.096 -3.698 -7.985 339 2HD2 LEU 46 2HD2 LEU 46 -3.744 -3.498 -6.252 340 3HD2 LEU 46 3HD2 LEU 46 -5.296 -2.932 -6.916 341 H LEU 47 H LEU 47 0.582 -2.732 -9.118 342 HA LEU 47 HA LEU 47 -0.095 -5.168 -10.375 343 1HB LEU 47 2HB LEU 47 1.336 -2.941 -11.029 344 2HB LEU 47 1HB LEU 47 2.621 -4.100 -10.752 345 HG LEU 47 HG LEU 47 1.807 -3.880 -13.130 346 1HD1 LEU 47 1HD1 LEU 47 1.548 -6.523 -13.308 347 2HD1 LEU 47 2HD1 LEU 47 3.099 -5.742 -12.919 348 3HD1 LEU 47 3HD1 LEU 47 2.100 -6.433 -11.619 349 1HD2 LEU 47 1HD2 LEU 47 -0.687 -3.958 -12.151 350 2HD2 LEU 47 2HD2 LEU 47 -0.275 -4.452 -13.811 351 3HD2 LEU 47 3HD2 LEU 47 -0.480 -5.683 -12.541 352 H GLU 48 H GLU 48 1.777 -4.312 -7.547 353 HA GLU 48 HA GLU 48 3.205 -6.813 -7.641 354 1HB GLU 48 2HB GLU 48 3.893 -4.325 -6.693 355 2HB GLU 48 1HB GLU 48 3.386 -5.103 -5.207 356 1HG GLU 48 2HG GLU 48 5.820 -5.436 -5.645 357 2HG GLU 48 1HG GLU 48 4.957 -6.960 -5.575 358 H LEU 49 H LEU 49 0.252 -5.473 -6.411 359 HA LEU 49 HA LEU 49 0.074 -7.464 -4.296 360 1HB LEU 49 2HB LEU 49 -1.517 -5.031 -5.054 361 2HB LEU 49 1HB LEU 49 -2.176 -6.236 -3.966 362 HG LEU 49 HG LEU 49 0.182 -4.409 -3.554 363 1HD1 LEU 49 1HD1 LEU 49 -1.083 -4.135 -1.320 364 2HD1 LEU 49 2HD1 LEU 49 -1.767 -3.395 -2.788 365 3HD1 LEU 49 3HD1 LEU 49 -2.440 -4.921 -2.165 366 1HD2 LEU 49 1HD2 LEU 49 0.483 -5.722 -1.353 367 2HD2 LEU 49 2HD2 LEU 49 -0.345 -7.048 -2.204 368 3HD2 LEU 49 3HD2 LEU 49 1.178 -6.392 -2.848 369 H GLN 50 H GLN 50 -0.579 -7.099 -7.635 370 HA GLN 50 HA GLN 50 -2.695 -9.094 -7.448 371 1HB GLN 50 2HB GLN 50 -3.143 -6.880 -8.656 372 2HB GLN 50 1HB GLN 50 -1.988 -7.390 -9.871 373 1HG GLN 50 2HG GLN 50 -3.359 -9.123 -10.661 374 2HG GLN 50 1HG GLN 50 -4.184 -9.319 -9.128 375 1HE2 GLN 50 1HE2 GLN 50 -6.226 -9.164 -9.886 376 2HE2 GLN 50 2HE2 GLN 50 -6.933 -7.725 -10.543 377 H SER 51 H SER 51 0.351 -9.413 -7.252 378 HA SER 51 HA SER 51 0.518 -11.372 -9.397 379 1HB SER 51 2HB SER 51 2.023 -9.060 -9.382 380 2HB SER 51 1HB SER 51 3.093 -10.157 -8.533 381 HG SER 51 HG SER 51 2.281 -11.624 -10.543 382 H GLN 52 H GLN 52 2.206 -10.188 -6.390 383 HA GLN 52 HA GLN 52 2.962 -12.859 -5.754 384 1HB GLN 52 2HB GLN 52 3.267 -10.206 -4.287 385 2HB GLN 52 1HB GLN 52 3.865 -11.722 -3.642 386 1HG GLN 52 2HG GLN 52 4.622 -10.962 -6.468 387 2HG GLN 52 1HG GLN 52 5.426 -10.146 -5.141 388 1HE2 GLN 52 1HE2 GLN 52 7.152 -11.047 -4.322 389 2HE2 GLN 52 2HE2 GLN 52 7.629 -12.708 -4.446 390 H PHE 53 H PHE 53 0.242 -10.757 -5.162 391 HA PHE 53 HA PHE 53 -0.683 -12.616 -3.085 392 1HB PHE 53 2HB PHE 53 -1.603 -9.731 -3.534 393 2HB PHE 53 1HB PHE 53 -1.787 -10.685 -2.077 394 HD1 PHE 53 1HD PHE 53 0.889 -9.245 -4.243 395 HD2 PHE 53 2HD PHE 53 -0.315 -10.342 -0.324 396 HE1 PHE 53 1HE PHE 53 2.989 -8.233 -3.314 397 HE2 PHE 53 2HE PHE 53 1.786 -9.330 0.604 398 HZ PHE 53 HZ PHE 53 3.412 -8.288 -0.901 399 H GLY 54 H GLY 54 -1.364 -10.790 -6.068 400 1HA GLY 54 2HA GLY 54 -2.936 -11.105 -7.649 401 2HA GLY 54 1HA GLY 54 -3.385 -12.608 -6.865 402 H VAL 55 H VAL 55 -3.440 -9.175 -5.674 403 HA VAL 55 HA VAL 55 -6.058 -9.611 -4.584 404 HB VAL 55 HB VAL 55 -4.108 -8.263 -3.608 405 1HG1 VAL 55 1HG1 VAL 55 -3.520 -6.900 -5.502 406 2HG1 VAL 55 2HG1 VAL 55 -5.175 -6.257 -5.619 407 3HG1 VAL 55 3HG1 VAL 55 -4.152 -5.833 -4.225 408 1HG2 VAL 55 1HG2 VAL 55 -6.336 -6.410 -3.382 409 2HG2 VAL 55 2HG2 VAL 55 -6.887 -8.102 -3.304 410 3HG2 VAL 55 3HG2 VAL 55 -5.647 -7.517 -2.170 411 H ASP 56 H ASP 56 -7.843 -7.954 -5.034 412 HA ASP 56 HA ASP 56 -7.760 -7.212 -7.849 413 1HB ASP 56 2HB ASP 56 -9.163 -9.218 -7.622 414 2HB ASP 56 1HB ASP 56 -10.046 -8.499 -6.290 415 H ALA 57 H ALA 57 -7.983 -4.973 -7.932 416 HA ALA 57 HA ALA 57 -10.021 -3.725 -6.305 417 1HB ALA 57 1HB ALA 57 -8.432 -3.329 -4.691 418 2HB ALA 57 2HB ALA 57 -7.078 -3.429 -5.844 419 3HB ALA 57 3HB ALA 57 -8.073 -1.956 -5.764 420 HA PRO 58 HA PRO 58 -10.206 -1.209 -9.816 421 1HB PRO 58 2HB PRO 58 -11.196 1.147 -8.846 422 2HB PRO 58 1HB PRO 58 -12.197 -0.259 -9.153 423 1HG PRO 58 2HG PRO 58 -11.258 0.818 -6.566 424 2HG PRO 58 1HG PRO 58 -12.571 -0.298 -6.878 425 1HD PRO 58 2HD PRO 58 -9.973 -0.951 -5.855 426 2HD PRO 58 1HD PRO 58 -11.246 -2.079 -6.276 427 H VAL 59 H VAL 59 -9.824 1.333 -10.530 428 HA VAL 59 HA VAL 59 -7.333 2.205 -9.375 429 HB VAL 59 HB VAL 59 -7.489 1.274 -12.249 430 1HG1 VAL 59 1HG1 VAL 59 -5.456 2.874 -10.716 431 2HG1 VAL 59 2HG1 VAL 59 -4.923 1.779 -12.014 432 3HG1 VAL 59 3HG1 VAL 59 -6.066 3.096 -12.374 433 1HG2 VAL 59 1HG2 VAL 59 -6.053 0.156 -9.825 434 2HG2 VAL 59 2HG2 VAL 59 -7.261 -0.649 -10.853 435 3HG2 VAL 59 3HG2 VAL 59 -5.643 -0.288 -11.499 436 H SER 60 H SER 60 -9.797 2.469 -12.001 437 HA SER 60 HA SER 60 -9.426 4.849 -12.996 438 1HB SER 60 2HB SER 60 -11.972 5.166 -12.927 439 2HB SER 60 1HB SER 60 -11.396 3.665 -13.622 440 HG SER 60 HG SER 60 -11.872 2.571 -11.648 441 H GLU 61 H GLU 61 -11.504 4.525 -10.018 442 HA GLU 61 HA GLU 61 -10.141 6.799 -8.901 443 1HB GLU 61 2HB GLU 61 -12.727 7.026 -10.192 444 2HB GLU 61 1HB GLU 61 -12.921 7.327 -8.477 445 1HG GLU 61 2HG GLU 61 -11.283 9.105 -8.498 446 2HG GLU 61 1HG GLU 61 -10.704 8.655 -10.089 447 H PHE 62 H PHE 62 -9.740 4.345 -7.938 448 HA PHE 62 HA PHE 62 -11.639 3.242 -6.268 449 1HB PHE 62 2HB PHE 62 -9.384 2.503 -5.058 450 2HB PHE 62 1HB PHE 62 -9.651 1.985 -6.711 451 HD1 PHE 62 1HD PHE 62 -8.737 5.434 -5.772 452 HD2 PHE 62 2HD PHE 62 -7.362 1.725 -7.309 453 HE1 PHE 62 1HE PHE 62 -6.580 6.518 -6.462 454 HE2 PHE 62 2HE PHE 62 -5.206 2.809 -7.997 455 HZ PHE 62 HZ PHE 62 -4.841 5.192 -7.566 456 H ASP 63 H ASP 63 -10.661 3.028 -3.696 457 HA ASP 63 HA ASP 63 -11.257 5.679 -2.732 458 1HB ASP 63 2HB ASP 63 -11.538 2.898 -1.753 459 2HB ASP 63 1HB ASP 63 -10.954 3.994 -0.515 460 H ARG 64 H ARG 64 -9.045 6.523 -3.313 461 HA ARG 64 HA ARG 64 -6.687 5.490 -2.697 462 1HB ARG 64 2HB ARG 64 -5.963 7.955 -2.239 463 2HB ARG 64 1HB ARG 64 -6.693 7.604 -3.793 464 1HG ARG 64 2HG ARG 64 -8.132 9.306 -3.313 465 2HG ARG 64 1HG ARG 64 -8.931 8.161 -2.255 466 1HD ARG 64 2HD ARG 64 -8.535 9.871 -0.726 467 2HD ARG 64 1HD ARG 64 -7.059 8.953 -0.507 468 HE ARG 64 HE ARG 64 -5.888 10.782 -1.344 469 1HH1 ARG 64 2HH2 ARG 64 -9.154 10.863 -2.655 470 2HH1 ARG 64 1HH2 ARG 64 -8.913 12.354 -3.504 471 1HH2 ARG 64 2HH1 ARG 64 -5.571 12.748 -2.464 472 2HH2 ARG 64 1HH1 ARG 64 -6.861 13.433 -3.395 473 H LYS 65 H LYS 65 -9.125 6.684 -0.435 474 HA LYS 65 HA LYS 65 -7.550 7.232 1.773 475 1HB LYS 65 2HB LYS 65 -9.745 7.922 1.962 476 2HB LYS 65 1HB LYS 65 -10.399 6.426 1.328 477 1HG LYS 65 2HG LYS 65 -10.887 6.239 3.623 478 2HG LYS 65 1HG LYS 65 -9.402 5.317 3.490 479 1HD LYS 65 2HD LYS 65 -9.072 6.740 5.383 480 2HD LYS 65 1HD LYS 65 -8.141 7.480 4.096 481 1HE LYS 65 2HE LYS 65 -9.300 9.333 4.960 482 2HE LYS 65 1HE LYS 65 -10.330 8.871 3.619 483 1HZ LYS 65 1HZ LYS 65 -11.005 7.436 5.946 484 2HZ LYS 65 2HZ LYS 65 -11.055 9.043 6.233 485 3HZ LYS 65 3HZ LYS 65 -11.944 8.403 5.023 486 H GLU 66 H GLU 66 -8.722 4.131 0.413 487 HA GLU 66 HA GLU 66 -7.755 2.684 2.666 488 1HB GLU 66 2HB GLU 66 -9.670 1.759 1.567 489 2HB GLU 66 1HB GLU 66 -8.938 1.900 -0.018 490 1HG GLU 66 2HG GLU 66 -7.289 0.155 0.525 491 2HG GLU 66 1HG GLU 66 -7.844 0.090 2.186 492 H TRP 67 H TRP 67 -6.546 3.780 -0.464 493 HA TRP 67 HA TRP 67 -4.219 2.023 -0.206 494 1HB TRP 67 2HB TRP 67 -4.837 3.811 -2.544 495 2HB TRP 67 1HB TRP 67 -3.788 2.409 -2.479 496 HD1 TRP 67 HD TRP 67 -7.478 3.338 -2.901 497 HE1 TRP 67 1HE TRP 67 -8.929 1.258 -3.631 498 HE3 TRP 67 3HE TRP 67 -3.816 -0.120 -2.207 499 HZ2 TRP 67 2HZ TRP 67 -8.393 -1.537 -3.832 500 HZ3 TRP 67 3HZ TRP 67 -4.362 -2.503 -2.692 501 HH2 TRP 67 HH TRP 67 -6.560 -3.233 -3.479 502 H ASP 68 H ASP 68 -5.000 4.489 1.475 503 HA ASP 68 HA ASP 68 -2.913 6.308 0.649 504 1HB ASP 68 2HB ASP 68 -4.749 7.591 1.282 505 2HB ASP 68 1HB ASP 68 -5.305 6.414 2.454 506 H THR 69 H THR 69 -3.934 4.050 3.256 507 HA THR 69 HA THR 69 -1.340 4.485 4.584 508 HB THR 69 HB THR 69 -2.760 3.339 6.520 509 HG1 THR 69 1HG THR 69 -4.962 3.389 6.041 510 1HG2 THR 69 1HG2 THR 69 -2.188 5.986 5.986 511 2HG2 THR 69 2HG2 THR 69 -3.966 6.007 5.916 512 3HG2 THR 69 3HG2 THR 69 -3.140 5.449 7.391 513 HA PRO 70 HA PRO 70 -0.264 0.416 3.764 514 1HB PRO 70 2HB PRO 70 1.254 -0.272 5.930 515 2HB PRO 70 1HB PRO 70 1.858 0.708 4.609 516 1HG PRO 70 2HG PRO 70 1.067 1.550 7.331 517 2HG PRO 70 1HG PRO 70 2.051 2.405 6.160 518 1HD PRO 70 2HD PRO 70 -0.692 2.935 6.811 519 2HD PRO 70 1HD PRO 70 0.257 3.713 5.559 520 H ASN 71 H ASN 71 -1.745 0.944 6.869 521 HA ASN 71 HA ASN 71 -2.240 -1.744 7.371 522 1HB ASN 71 2HB ASN 71 -2.810 0.801 8.585 523 2HB ASN 71 1HB ASN 71 -4.343 -0.038 8.451 524 1HD2 ASN 71 1HD2 ASN 71 -2.396 0.632 10.688 525 2HD2 ASN 71 2HD2 ASN 71 -2.188 -0.845 11.569 526 H LYS 72 H LYS 72 -4.221 0.945 5.933 527 HA LYS 72 HA LYS 72 -6.535 -0.543 5.506 528 1HB LYS 72 2HB LYS 72 -5.422 2.056 4.648 529 2HB LYS 72 1HB LYS 72 -6.581 1.359 3.534 530 1HG LYS 72 2HG LYS 72 -8.343 1.527 5.028 531 2HG LYS 72 1HG LYS 72 -7.334 1.214 6.426 532 1HD LYS 72 2HD LYS 72 -6.825 3.442 6.736 533 2HD LYS 72 1HD LYS 72 -6.726 3.770 5.017 534 1HE LYS 72 2HE LYS 72 -8.664 4.932 6.108 535 2HE LYS 72 1HE LYS 72 -9.166 3.855 4.820 536 1HZ LYS 72 1HZ LYS 72 -9.025 2.772 7.505 537 2HZ LYS 72 2HZ LYS 72 -10.267 3.774 7.154 538 3HZ LYS 72 3HZ LYS 72 -10.053 2.404 6.291 539 H ILE 73 H ILE 73 -3.457 -0.347 3.749 540 HA ILE 73 HA ILE 73 -4.539 -1.676 1.438 541 HB ILE 73 HB ILE 73 -1.799 -0.750 2.270 542 1HG1 ILE 73 2HG1 ILE 73 -3.675 0.098 0.041 543 2HG1 ILE 73 1HG1 ILE 73 -3.401 0.966 1.539 544 1HG2 ILE 73 1HG2 ILE 73 -1.636 -2.912 1.031 545 2HG2 ILE 73 2HG2 ILE 73 -2.475 -2.138 -0.336 546 3HG2 ILE 73 3HG2 ILE 73 -0.888 -1.530 0.194 547 1HD1 ILE 73 1HD1 ILE 73 -2.042 1.910 -0.311 548 2HD1 ILE 73 2HD1 ILE 73 -1.001 1.244 0.969 549 3HD1 ILE 73 3HD1 ILE 73 -1.253 0.331 -0.538 550 H ILE 74 H ILE 74 -2.134 -2.480 4.042 551 HA ILE 74 HA ILE 74 -1.658 -5.066 3.356 552 HB ILE 74 HB ILE 74 -1.589 -3.470 5.836 553 1HG1 ILE 74 2HG1 ILE 74 0.427 -5.407 4.674 554 2HG1 ILE 74 1HG1 ILE 74 0.268 -3.749 4.128 555 1HG2 ILE 74 1HG2 ILE 74 -2.745 -5.481 6.638 556 2HG2 ILE 74 2HG2 ILE 74 -1.455 -6.497 5.948 557 3HG2 ILE 74 3HG2 ILE 74 -1.087 -5.370 7.277 558 1HD1 ILE 74 1HD1 ILE 74 0.353 -3.401 6.872 559 2HD1 ILE 74 2HD1 ILE 74 1.424 -4.805 6.646 560 3HD1 ILE 74 3HD1 ILE 74 1.763 -3.281 5.790 561 H ALA 75 H ALA 75 -4.627 -3.635 4.574 562 HA ALA 75 HA ALA 75 -5.738 -6.120 5.461 563 1HB ALA 75 1HB ALA 75 -6.414 -3.272 5.443 564 2HB ALA 75 2HB ALA 75 -7.812 -4.292 5.032 565 3HB ALA 75 3HB ALA 75 -6.936 -4.557 6.558 566 H LYS 76 H LYS 76 -5.890 -4.033 2.525 567 HA LYS 76 HA LYS 76 -7.883 -5.547 1.245 568 1HB LYS 76 2HB LYS 76 -7.060 -3.149 0.779 569 2HB LYS 76 1HB LYS 76 -5.772 -3.894 -0.146 570 1HG LYS 76 2HG LYS 76 -7.519 -3.463 -1.729 571 2HG LYS 76 1HG LYS 76 -7.581 -5.189 -1.430 572 1HD LYS 76 2HD LYS 76 -9.575 -5.059 -0.213 573 2HD LYS 76 1HD LYS 76 -9.262 -3.425 0.338 574 1HE LYS 76 2HE LYS 76 -10.216 -2.464 -1.526 575 2HE LYS 76 1HE LYS 76 -9.562 -3.672 -2.614 576 1HZ LYS 76 1HZ LYS 76 -11.803 -4.103 -2.583 577 2HZ LYS 76 2HZ LYS 76 -11.249 -5.199 -1.506 578 3HZ LYS 76 3HZ LYS 76 -11.975 -3.833 -0.982 579 H VAL 77 H VAL 77 -4.409 -5.966 1.718 580 HA VAL 77 HA VAL 77 -4.153 -7.855 -0.424 581 HB VAL 77 HB VAL 77 -2.305 -7.251 1.890 582 1HG1 VAL 77 1HG1 VAL 77 -0.718 -8.519 0.884 583 2HG1 VAL 77 2HG1 VAL 77 -2.128 -9.334 0.168 584 3HG1 VAL 77 3HG1 VAL 77 -1.256 -8.088 -0.757 585 1HG2 VAL 77 1HG2 VAL 77 -3.139 -5.496 -0.141 586 2HG2 VAL 77 2HG2 VAL 77 -1.746 -5.304 0.950 587 3HG2 VAL 77 3HG2 VAL 77 -1.530 -6.070 -0.642 588 H GLU 78 H GLU 78 -4.776 -7.868 3.097 589 HA GLU 78 HA GLU 78 -4.457 -10.691 3.252 590 1HB GLU 78 2HB GLU 78 -5.429 -8.554 5.177 591 2HB GLU 78 1HB GLU 78 -5.524 -10.254 5.590 592 1HG GLU 78 2HG GLU 78 -2.900 -9.182 4.546 593 2HG GLU 78 1HG GLU 78 -3.357 -8.792 6.191 594 H GLN 79 H GLN 79 -7.021 -8.409 2.493 595 HA GLN 79 HA GLN 79 -9.049 -10.397 2.985 596 1HB GLN 79 2HB GLN 79 -8.966 -7.464 2.569 597 2HB GLN 79 1HB GLN 79 -10.318 -8.245 1.774 598 1HG GLN 79 2HG GLN 79 -10.953 -9.349 3.924 599 2HG GLN 79 1HG GLN 79 -9.590 -8.589 4.723 600 1HE2 GLN 79 1HE2 GLN 79 -9.485 -6.254 4.769 601 2HE2 GLN 79 2HE2 GLN 79 -10.940 -5.315 4.836 602 H ALA 80 H ALA 80 -6.855 -10.612 0.848 603 HA ALA 80 HA ALA 80 -8.673 -10.897 -1.447 604 1HB ALA 80 1HB ALA 80 -6.806 -9.092 -1.520 605 2HB ALA 80 2HB ALA 80 -5.683 -10.466 -1.657 606 3HB ALA 80 3HB ALA 80 -6.938 -10.216 -2.895 607 H GLN 81 H GLN 81 -5.839 -12.161 0.391 608 HA GLN 81 HA GLN 81 -5.265 -14.351 -1.045 609 1HB GLN 81 2HB GLN 81 -5.401 -14.067 1.987 610 2HB GLN 81 1HB GLN 81 -4.619 -15.408 1.176 611 1HG GLN 81 2HG GLN 81 -3.864 -12.459 0.994 612 2HG GLN 81 1HG GLN 81 -2.914 -13.750 1.702 613 1HE2 GLN 81 1HE2 GLN 81 -3.839 -12.092 -1.150 614 2HE2 GLN 81 2HE2 GLN 81 -2.863 -12.947 -2.297 Start of MODEL 14 1 H ALA 2 H ALA 2 -1.410 -16.753 3.996 2 HA ALA 2 HA ALA 2 -1.841 -16.134 6.738 3 1HB ALA 2 1HB ALA 2 -1.624 -18.640 7.389 4 2HB ALA 2 2HB ALA 2 -3.220 -18.042 6.876 5 3HB ALA 2 3HB ALA 2 -2.210 -18.968 5.740 6 H ASP 3 H ASP 3 0.097 -15.165 5.155 7 HA ASP 3 HA ASP 3 2.394 -16.670 6.082 8 1HB ASP 3 2HB ASP 3 1.608 -16.508 3.367 9 2HB ASP 3 1HB ASP 3 2.890 -15.324 3.515 10 H GLU 4 H GLU 4 4.335 -15.236 6.341 11 HA GLU 4 HA GLU 4 3.494 -12.542 6.899 12 1HB GLU 4 2HB GLU 4 5.326 -14.381 8.067 13 2HB GLU 4 1HB GLU 4 6.307 -13.068 7.445 14 1HG GLU 4 2HG GLU 4 5.708 -12.373 9.646 15 2HG GLU 4 1HG GLU 4 4.647 -11.456 8.596 16 H ALA 5 H ALA 5 4.850 -14.273 4.302 17 HA ALA 5 HA ALA 5 6.729 -12.334 3.412 18 1HB ALA 5 1HB ALA 5 5.705 -14.950 2.625 19 2HB ALA 5 2HB ALA 5 5.877 -13.871 1.220 20 3HB ALA 5 3HB ALA 5 7.277 -14.195 2.271 21 H ILE 6 H ILE 6 3.298 -12.456 3.568 22 HA ILE 6 HA ILE 6 2.938 -10.823 1.199 23 HB ILE 6 HB ILE 6 1.257 -12.436 2.988 24 1HG1 ILE 6 2HG1 ILE 6 1.068 -11.649 0.065 25 2HG1 ILE 6 1HG1 ILE 6 1.830 -13.096 0.693 26 1HG2 ILE 6 1HG2 ILE 6 0.105 -9.919 1.753 27 2HG2 ILE 6 2HG2 ILE 6 -0.790 -11.196 2.612 28 3HG2 ILE 6 3HG2 ILE 6 0.381 -10.185 3.491 29 1HD1 ILE 6 1HD1 ILE 6 -0.375 -13.757 0.009 30 2HD1 ILE 6 2HD1 ILE 6 -0.430 -13.669 1.786 31 3HD1 ILE 6 3HD1 ILE 6 -1.121 -12.352 0.808 32 H LYS 7 H LYS 7 2.462 -10.593 4.789 33 HA LYS 7 HA LYS 7 1.721 -7.906 4.772 34 1HB LYS 7 2HB LYS 7 1.705 -9.831 6.621 35 2HB LYS 7 1HB LYS 7 3.203 -9.057 7.098 36 1HG LYS 7 2HG LYS 7 1.538 -6.866 6.686 37 2HG LYS 7 1HG LYS 7 0.414 -8.059 7.307 38 1HD LYS 7 2HD LYS 7 3.079 -7.611 8.690 39 2HD LYS 7 1HD LYS 7 1.736 -6.531 9.001 40 1HE LYS 7 2HE LYS 7 0.409 -8.857 9.338 41 2HE LYS 7 1HE LYS 7 2.020 -9.454 9.685 42 1HZ LYS 7 1HZ LYS 7 0.589 -8.416 11.537 43 2HZ LYS 7 2HZ LYS 7 2.195 -8.120 11.501 44 3HZ LYS 7 3HZ LYS 7 1.144 -6.993 10.960 45 H ASN 8 H ASN 8 4.933 -9.527 4.974 46 HA ASN 8 HA ASN 8 6.346 -7.186 5.464 47 1HB ASN 8 2HB ASN 8 7.003 -9.815 5.459 48 2HB ASN 8 1HB ASN 8 7.586 -9.425 3.852 49 1HD2 ASN 8 1HD2 ASN 8 9.480 -10.223 5.362 50 2HD2 ASN 8 2HD2 ASN 8 10.477 -8.964 6.010 51 H GLY 9 H GLY 9 6.027 -9.201 2.432 52 1HA GLY 9 2HA GLY 9 7.293 -7.609 0.626 53 2HA GLY 9 1HA GLY 9 5.899 -8.606 0.260 54 H VAL 10 H VAL 10 3.845 -7.347 1.733 55 HA VAL 10 HA VAL 10 3.080 -5.331 0.011 56 HB VAL 10 HB VAL 10 2.227 -6.147 2.781 57 1HG1 VAL 10 1HG1 VAL 10 0.936 -4.024 1.032 58 2HG1 VAL 10 2HG1 VAL 10 0.246 -4.701 2.527 59 3HG1 VAL 10 3HG1 VAL 10 1.752 -3.755 2.591 60 1HG2 VAL 10 1HG2 VAL 10 0.325 -6.318 0.549 61 2HG2 VAL 10 2HG2 VAL 10 1.800 -7.282 0.301 62 3HG2 VAL 10 3HG2 VAL 10 0.799 -7.542 1.750 63 H LEU 11 H LEU 11 4.550 -5.121 3.319 64 HA LEU 11 HA LEU 11 4.575 -2.301 3.327 65 1HB LEU 11 2HB LEU 11 4.875 -4.241 5.182 66 2HB LEU 11 1HB LEU 11 6.553 -3.793 4.945 67 HG LEU 11 HG LEU 11 4.276 -2.067 5.919 68 1HD1 LEU 11 1HD1 LEU 11 5.739 -1.713 7.850 69 2HD1 LEU 11 2HD1 LEU 11 5.404 -3.442 7.593 70 3HD1 LEU 11 3HD1 LEU 11 6.976 -2.759 7.111 71 1HD2 LEU 11 1HD2 LEU 11 5.481 -0.102 5.663 72 2HD2 LEU 11 2HD2 LEU 11 7.024 -0.955 5.418 73 3HD2 LEU 11 3HD2 LEU 11 5.791 -0.959 4.134 74 H ASP 12 H ASP 12 7.067 -4.816 2.566 75 HA ASP 12 HA ASP 12 9.150 -3.125 2.139 76 1HB ASP 12 2HB ASP 12 8.747 -5.813 1.916 77 2HB ASP 12 1HB ASP 12 8.800 -5.403 0.213 78 H ILE 13 H ILE 13 6.417 -4.103 0.006 79 HA ILE 13 HA ILE 13 7.460 -2.861 -2.323 80 HB ILE 13 HB ILE 13 4.974 -4.234 -1.493 81 1HG1 ILE 13 2HG1 ILE 13 6.172 -4.497 -4.200 82 2HG1 ILE 13 1HG1 ILE 13 7.183 -4.989 -2.857 83 1HG2 ILE 13 1HG2 ILE 13 4.022 -2.191 -2.390 84 2HG2 ILE 13 2HG2 ILE 13 5.038 -2.325 -3.846 85 3HG2 ILE 13 3HG2 ILE 13 3.772 -3.535 -3.529 86 1HD1 ILE 13 1HD1 ILE 13 5.082 -6.473 -4.047 87 2HD1 ILE 13 2HD1 ILE 13 5.983 -6.889 -2.569 88 3HD1 ILE 13 3HD1 ILE 13 4.465 -5.968 -2.455 89 H LEU 14 H LEU 14 5.782 -1.771 0.555 90 HA LEU 14 HA LEU 14 4.858 0.649 -0.722 91 1HB LEU 14 2HB LEU 14 4.327 -0.826 1.711 92 2HB LEU 14 1HB LEU 14 4.613 0.867 2.058 93 HG LEU 14 HG LEU 14 2.245 0.444 1.762 94 1HD1 LEU 14 1HD1 LEU 14 3.107 2.628 1.088 95 2HD1 LEU 14 2HD1 LEU 14 3.381 2.022 -0.563 96 3HD1 LEU 14 3HD1 LEU 14 1.724 2.140 0.078 97 1HD2 LEU 14 1HD2 LEU 14 2.785 -1.504 0.081 98 2HD2 LEU 14 2HD2 LEU 14 1.251 -0.609 -0.018 99 3HD2 LEU 14 3HD2 LEU 14 2.581 -0.224 -1.138 100 H ALA 15 H ALA 15 7.060 -0.139 2.066 101 HA ALA 15 HA ALA 15 8.149 2.373 2.314 102 1HB ALA 15 1HB ALA 15 9.666 -0.225 2.720 103 2HB ALA 15 2HB ALA 15 9.832 1.301 3.620 104 3HB ALA 15 3HB ALA 15 8.368 0.308 3.814 105 H ASP 16 H ASP 16 8.856 -0.246 -0.013 106 HA ASP 16 HA ASP 16 11.254 0.868 -0.918 107 1HB ASP 16 2HB ASP 16 10.728 -1.471 -1.347 108 2HB ASP 16 1HB ASP 16 9.238 -1.047 -2.167 109 H LEU 17 H LEU 17 7.787 1.021 -1.953 110 HA LEU 17 HA LEU 17 8.099 2.382 -4.326 111 1HB LEU 17 2HB LEU 17 6.007 1.566 -2.620 112 2HB LEU 17 1HB LEU 17 5.762 3.277 -2.905 113 HG LEU 17 HG LEU 17 6.074 2.681 -5.419 114 1HD1 LEU 17 1HD1 LEU 17 5.564 0.460 -6.097 115 2HD1 LEU 17 2HD1 LEU 17 6.881 0.354 -4.905 116 3HD1 LEU 17 3HD1 LEU 17 5.214 -0.044 -4.426 117 1HD2 LEU 17 1HD2 LEU 17 3.562 1.715 -5.285 118 2HD2 LEU 17 2HD2 LEU 17 3.722 2.381 -3.642 119 3HD2 LEU 17 3HD2 LEU 17 3.977 3.431 -5.056 120 H THR 18 H THR 18 7.668 3.708 -0.977 121 HA THR 18 HA THR 18 7.951 6.399 -1.846 122 HB THR 18 HB THR 18 7.854 6.851 0.557 123 HG1 THR 18 1HG THR 18 8.208 4.937 1.970 124 1HG2 THR 18 1HG2 THR 18 5.701 6.102 0.677 125 2HG2 THR 18 2HG2 THR 18 6.011 4.998 -0.684 126 3HG2 THR 18 3HG2 THR 18 6.301 4.455 0.987 127 H GLY 19 H GLY 19 10.193 4.060 -0.228 128 1HA GLY 19 2HA GLY 19 12.456 3.917 -0.798 129 2HA GLY 19 1HA GLY 19 12.419 5.556 -1.418 130 H SER 20 H SER 20 10.732 5.037 1.609 131 HA SER 20 HA SER 20 13.077 6.008 3.038 132 1HB SER 20 2HB SER 20 10.262 7.118 3.016 133 2HB SER 20 1HB SER 20 11.248 7.299 4.452 134 HG SER 20 HG SER 20 12.375 8.841 3.490 135 H ASP 21 H ASP 21 12.638 5.792 5.561 136 HA ASP 21 HA ASP 21 11.359 3.198 5.907 137 1HB ASP 21 2HB ASP 21 13.747 3.145 6.416 138 2HB ASP 21 1HB ASP 21 13.623 4.581 7.411 139 H ASP 22 H ASP 22 9.503 5.148 5.927 140 HA ASP 22 HA ASP 22 9.252 5.964 8.713 141 1HB ASP 22 2HB ASP 22 9.172 7.564 6.500 142 2HB ASP 22 1HB ASP 22 7.477 7.125 6.588 143 H VAL 23 H VAL 23 7.774 4.381 5.862 144 HA VAL 23 HA VAL 23 5.286 3.910 7.270 145 HB VAL 23 HB VAL 23 5.237 4.533 4.931 146 1HG1 VAL 23 1HG1 VAL 23 6.060 2.802 3.227 147 2HG1 VAL 23 2HG1 VAL 23 7.295 3.793 4.042 148 3HG1 VAL 23 3HG1 VAL 23 7.015 2.114 4.562 149 1HG2 VAL 23 1HG2 VAL 23 4.314 1.941 4.278 150 2HG2 VAL 23 2HG2 VAL 23 4.046 2.146 6.027 151 3HG2 VAL 23 3HG2 VAL 23 3.365 3.323 4.878 152 H LYS 24 H LYS 24 8.415 2.506 6.970 153 HA LYS 24 HA LYS 24 7.562 -0.215 7.186 154 1HB LYS 24 2HB LYS 24 9.628 0.225 6.070 155 2HB LYS 24 1HB LYS 24 10.240 1.175 7.410 156 1HG LYS 24 2HG LYS 24 9.411 -1.643 8.038 157 2HG LYS 24 1HG LYS 24 10.849 -1.455 7.056 158 1HD LYS 24 2HD LYS 24 12.063 -0.429 8.760 159 2HD LYS 24 1HD LYS 24 10.644 0.303 9.484 160 1HE LYS 24 2HE LYS 24 11.105 -1.358 11.059 161 2HE LYS 24 1HE LYS 24 9.966 -2.209 10.033 162 1HZ LYS 24 1HZ LYS 24 12.893 -2.399 9.948 163 2HZ LYS 24 2HZ LYS 24 11.831 -3.579 10.333 164 3HZ LYS 24 3HZ LYS 24 11.928 -3.037 8.795 165 H LYS 25 H LYS 25 7.269 2.361 9.252 166 HA LYS 25 HA LYS 25 7.466 0.573 11.568 167 1HB LYS 25 2HB LYS 25 8.175 2.569 12.907 168 2HB LYS 25 1HB LYS 25 9.369 1.984 11.764 169 1HG LYS 25 2HG LYS 25 9.472 4.207 11.171 170 2HG LYS 25 1HG LYS 25 8.114 3.774 10.153 171 1HD LYS 25 2HD LYS 25 6.980 5.429 11.232 172 2HD LYS 25 1HD LYS 25 6.850 4.303 12.569 173 1HE LYS 25 2HE LYS 25 9.411 5.859 12.396 174 2HE LYS 25 1HE LYS 25 7.976 6.777 12.808 175 1HZ LYS 25 1HZ LYS 25 8.311 4.281 14.203 176 2HZ LYS 25 2HZ LYS 25 9.386 5.453 14.577 177 3HZ LYS 25 3HZ LYS 25 7.786 5.725 14.759 178 H ASN 26 H ASN 26 6.167 3.765 10.410 179 HA ASN 26 HA ASN 26 4.080 3.768 12.236 180 1HB ASN 26 2HB ASN 26 4.889 5.293 9.813 181 2HB ASN 26 1HB ASN 26 3.152 5.249 10.045 182 1HD2 ASN 26 1HD2 ASN 26 2.234 6.540 11.480 183 2HD2 ASN 26 2HD2 ASN 26 3.049 7.520 12.652 184 H LEU 27 H LEU 27 1.837 3.134 11.970 185 HA LEU 27 HA LEU 27 1.344 1.465 9.602 186 1HB LEU 27 2HB LEU 27 0.433 1.091 12.457 187 2HB LEU 27 1HB LEU 27 -0.200 0.183 11.098 188 HG LEU 27 HG LEU 27 2.758 0.206 11.651 189 1HD1 LEU 27 1HD1 LEU 27 0.807 -1.721 12.937 190 2HD1 LEU 27 2HD1 LEU 27 2.577 -1.673 13.130 191 3HD1 LEU 27 3HD1 LEU 27 1.575 -0.351 13.775 192 1HD2 LEU 27 1HD2 LEU 27 1.007 -1.086 9.783 193 2HD2 LEU 27 2HD2 LEU 27 2.782 -1.144 9.894 194 3HD2 LEU 27 3HD2 LEU 27 1.795 -2.315 10.801 195 H ASP 28 H ASP 28 0.969 4.376 9.854 196 HA ASP 28 HA ASP 28 -1.698 4.420 8.952 197 1HB ASP 28 2HB ASP 28 -1.300 4.877 11.739 198 2HB ASP 28 1HB ASP 28 -1.562 6.462 11.038 199 H LEU 29 H LEU 29 1.083 5.072 8.104 200 HA LEU 29 HA LEU 29 1.238 7.953 8.163 201 1HB LEU 29 2HB LEU 29 3.124 6.080 8.237 202 2HB LEU 29 1HB LEU 29 3.034 6.260 6.497 203 HG LEU 29 HG LEU 29 3.329 8.794 6.934 204 1HD1 LEU 29 1HD1 LEU 29 3.793 7.653 9.646 205 2HD1 LEU 29 2HD1 LEU 29 4.876 8.954 9.097 206 3HD1 LEU 29 3HD1 LEU 29 3.119 9.225 9.156 207 1HD2 LEU 29 1HD2 LEU 29 5.122 6.682 6.461 208 2HD2 LEU 29 2HD2 LEU 29 5.357 8.414 6.121 209 3HD2 LEU 29 3HD2 LEU 29 5.908 7.728 7.668 210 H ASN 30 H ASN 30 -0.442 8.848 6.993 211 HA ASN 30 HA ASN 30 -1.609 7.812 4.797 212 1HB ASN 30 2HB ASN 30 -1.024 10.793 5.166 213 2HB ASN 30 1HB ASN 30 -2.387 10.094 4.314 214 1HD2 ASN 30 1HD2 ASN 30 -3.370 8.197 5.854 215 2HD2 ASN 30 2HD2 ASN 30 -3.897 8.781 7.397 216 H LEU 31 H LEU 31 -0.077 6.868 3.300 217 HA LEU 31 HA LEU 31 2.263 7.937 2.427 218 1HB LEU 31 2HB LEU 31 0.285 6.362 0.774 219 2HB LEU 31 1HB LEU 31 2.001 6.531 0.461 220 HG LEU 31 HG LEU 31 1.130 5.391 3.092 221 1HD1 LEU 31 1HD1 LEU 31 0.985 3.967 0.433 222 2HD1 LEU 31 2HD1 LEU 31 1.205 3.102 1.973 223 3HD1 LEU 31 3HD1 LEU 31 -0.253 4.087 1.705 224 1HD2 LEU 31 1HD2 LEU 31 3.509 5.015 1.262 225 2HD2 LEU 31 2HD2 LEU 31 3.465 5.771 2.873 226 3HD2 LEU 31 3HD2 LEU 31 3.205 4.018 2.705 227 H PHE 32 H PHE 32 -1.013 9.026 1.779 228 HA PHE 32 HA PHE 32 -0.187 10.586 -0.506 229 1HB PHE 32 2HB PHE 32 -2.679 9.855 1.040 230 2HB PHE 32 1HB PHE 32 -2.733 11.400 0.217 231 HD1 PHE 32 1HD PHE 32 -2.000 11.335 -2.318 232 HD2 PHE 32 2HD PHE 32 -3.319 7.957 -0.114 233 HE1 PHE 32 1HE PHE 32 -2.597 10.172 -4.459 234 HE2 PHE 32 2HE PHE 32 -3.917 6.794 -2.257 235 HZ PHE 32 HZ PHE 32 -3.549 7.915 -4.404 236 H GLU 33 H GLU 33 -1.365 11.134 2.881 237 HA GLU 33 HA GLU 33 -1.076 13.926 2.651 238 1HB GLU 33 2HB GLU 33 -2.315 12.171 4.426 239 2HB GLU 33 1HB GLU 33 -0.995 12.806 5.388 240 1HG GLU 33 2HG GLU 33 -2.564 14.466 5.793 241 2HG GLU 33 1HG GLU 33 -1.808 15.149 4.367 242 H THR 34 H THR 34 1.177 11.380 2.930 243 HA THR 34 HA THR 34 3.106 13.022 4.401 244 HB THR 34 HB THR 34 4.388 10.838 4.413 245 HG1 THR 34 1HG THR 34 3.097 10.298 2.314 246 1HG2 THR 34 1HG2 THR 34 2.225 9.466 5.413 247 2HG2 THR 34 2HG2 THR 34 3.124 10.683 6.351 248 3HG2 THR 34 3HG2 THR 34 1.618 11.137 5.515 249 H GLY 35 H GLY 35 2.135 12.176 1.183 250 1HA GLY 35 2HA GLY 35 2.991 12.731 -0.818 251 2HA GLY 35 1HA GLY 35 4.017 13.890 0.004 252 H LEU 36 H LEU 36 3.985 10.343 0.611 253 HA LEU 36 HA LEU 36 6.773 10.302 -0.289 254 1HB LEU 36 2HB LEU 36 5.293 9.097 1.935 255 2HB LEU 36 1HB LEU 36 6.313 7.958 1.078 256 HG LEU 36 HG LEU 36 7.317 10.601 2.162 257 1HD1 LEU 36 1HD1 LEU 36 8.180 9.436 4.078 258 2HD1 LEU 36 2HD1 LEU 36 6.428 9.136 3.967 259 3HD1 LEU 36 3HD1 LEU 36 7.580 7.877 3.461 260 1HD2 LEU 36 1HD2 LEU 36 9.291 8.520 1.923 261 2HD2 LEU 36 2HD2 LEU 36 8.451 8.745 0.370 262 3HD2 LEU 36 3HD2 LEU 36 9.240 10.130 1.164 263 H LEU 37 H LEU 37 3.587 9.482 -1.208 264 HA LEU 37 HA LEU 37 4.479 7.182 -2.762 265 1HB LEU 37 2HB LEU 37 2.245 7.551 -1.305 266 2HB LEU 37 1HB LEU 37 1.673 8.131 -2.856 267 HG LEU 37 HG LEU 37 2.177 6.008 -3.910 268 1HD1 LEU 37 1HD1 LEU 37 3.630 5.486 -1.363 269 2HD1 LEU 37 2HD1 LEU 37 2.813 4.111 -2.145 270 3HD1 LEU 37 3HD1 LEU 37 4.040 5.043 -3.038 271 1HD2 LEU 37 1HD2 LEU 37 0.668 4.507 -2.504 272 2HD2 LEU 37 2HD2 LEU 37 0.577 5.863 -1.355 273 3HD2 LEU 37 3HD2 LEU 37 0.001 6.073 -3.027 274 H ASP 38 H ASP 38 3.323 7.164 -5.082 275 HA ASP 38 HA ASP 38 3.787 9.810 -6.213 276 1HB ASP 38 2HB ASP 38 4.622 7.073 -7.267 277 2HB ASP 38 1HB ASP 38 4.580 8.492 -8.294 278 H SER 39 H SER 39 2.207 10.447 -7.771 279 HA SER 39 HA SER 39 -0.258 9.412 -7.685 280 1HB SER 39 2HB SER 39 -0.539 11.275 -8.929 281 2HB SER 39 1HB SER 39 1.170 11.317 -9.313 282 HG SER 39 HG SER 39 -0.320 11.137 -11.191 283 H MET 40 H MET 40 2.541 8.134 -9.377 284 HA MET 40 HA MET 40 0.803 6.304 -10.833 285 1HB MET 40 2HB MET 40 3.650 7.320 -11.217 286 2HB MET 40 1HB MET 40 3.170 5.811 -11.969 287 1HG MET 40 2HG MET 40 1.186 7.967 -12.390 288 2HG MET 40 1HG MET 40 2.765 8.373 -13.032 289 1HE MET 40 1HE MET 40 -0.218 5.292 -13.859 290 2HE MET 40 2HE MET 40 -0.316 6.958 -13.243 291 3HE MET 40 3HE MET 40 -0.367 6.653 -14.997 292 H GLY 41 H GLY 41 2.996 6.605 -8.154 293 1HA GLY 41 2HA GLY 41 4.141 4.051 -8.068 294 2HA GLY 41 1HA GLY 41 3.865 5.121 -6.708 295 H THR 42 H THR 42 1.444 5.260 -5.952 296 HA THR 42 HA THR 42 0.635 2.932 -4.890 297 HB THR 42 HB THR 42 -0.334 5.572 -5.150 298 HG1 THR 42 1HG THR 42 -1.619 4.729 -3.360 299 1HG2 THR 42 1HG2 THR 42 -2.574 3.568 -5.715 300 2HG2 THR 42 2HG2 THR 42 -2.716 5.336 -5.565 301 3HG2 THR 42 3HG2 THR 42 -1.895 4.625 -6.975 302 H VAL 43 H VAL 43 0.039 4.008 -8.244 303 HA VAL 43 HA VAL 43 -1.854 2.033 -8.850 304 HB VAL 43 HB VAL 43 0.117 3.542 -10.577 305 1HG1 VAL 43 1HG1 VAL 43 -0.522 2.218 -12.258 306 2HG1 VAL 43 2HG1 VAL 43 -1.718 1.393 -11.232 307 3HG1 VAL 43 3HG1 VAL 43 -2.160 2.891 -12.086 308 1HG2 VAL 43 1HG2 VAL 43 -2.335 4.619 -11.082 309 2HG2 VAL 43 2HG2 VAL 43 -2.498 4.205 -9.358 310 3HG2 VAL 43 3HG2 VAL 43 -1.176 5.269 -9.897 311 H GLN 44 H GLN 44 1.739 2.177 -9.370 312 HA GLN 44 HA GLN 44 1.958 -0.304 -10.507 313 1HB GLN 44 2HB GLN 44 3.721 1.549 -10.298 314 2HB GLN 44 1HB GLN 44 4.034 0.966 -8.675 315 1HG GLN 44 2HG GLN 44 5.061 -0.974 -9.410 316 2HG GLN 44 1HG GLN 44 4.014 -1.132 -10.807 317 1HE2 GLN 44 1HE2 GLN 44 6.538 -1.641 -11.252 318 2HE2 GLN 44 2HE2 GLN 44 7.356 -0.377 -12.110 319 H LEU 45 H LEU 45 2.087 0.680 -7.029 320 HA LEU 45 HA LEU 45 2.809 -1.701 -5.909 321 1HB LEU 45 2HB LEU 45 2.546 -0.486 -4.098 322 2HB LEU 45 1HB LEU 45 1.815 0.777 -5.070 323 HG LEU 45 HG LEU 45 -0.416 -0.306 -4.709 324 1HD1 LEU 45 1HD1 LEU 45 0.142 -1.793 -2.355 325 2HD1 LEU 45 2HD1 LEU 45 -0.561 -2.359 -3.889 326 3HD1 LEU 45 3HD1 LEU 45 1.202 -2.409 -3.646 327 1HD2 LEU 45 1HD2 LEU 45 -0.795 0.802 -2.724 328 2HD2 LEU 45 2HD2 LEU 45 0.761 0.304 -2.018 329 3HD2 LEU 45 3HD2 LEU 45 0.716 1.563 -3.275 330 H LEU 46 H LEU 46 -0.318 -0.729 -7.331 331 HA LEU 46 HA LEU 46 -1.778 -2.907 -6.294 332 1HB LEU 46 2HB LEU 46 -2.194 -0.638 -8.018 333 2HB LEU 46 1HB LEU 46 -2.918 -2.067 -8.730 334 HG LEU 46 HG LEU 46 -3.478 -0.966 -5.963 335 1HD1 LEU 46 1HD1 LEU 46 -5.787 -1.158 -7.645 336 2HD1 LEU 46 2HD1 LEU 46 -5.054 0.281 -6.895 337 3HD1 LEU 46 3HD1 LEU 46 -4.515 -0.257 -8.504 338 1HD2 LEU 46 1HD2 LEU 46 -4.061 -3.585 -7.194 339 2HD2 LEU 46 2HD2 LEU 46 -3.966 -3.106 -5.482 340 3HD2 LEU 46 3HD2 LEU 46 -5.447 -2.782 -6.416 341 H LEU 47 H LEU 47 0.350 -2.427 -9.113 342 HA LEU 47 HA LEU 47 -0.454 -4.725 -10.509 343 1HB LEU 47 2HB LEU 47 1.118 -2.589 -11.027 344 2HB LEU 47 1HB LEU 47 2.349 -3.800 -10.730 345 HG LEU 47 HG LEU 47 1.715 -3.513 -13.128 346 1HD1 LEU 47 1HD1 LEU 47 2.812 -5.545 -12.375 347 2HD1 LEU 47 2HD1 LEU 47 1.242 -6.260 -11.937 348 3HD1 LEU 47 3HD1 LEU 47 1.620 -5.917 -13.643 349 1HD2 LEU 47 1HD2 LEU 47 -0.385 -3.575 -13.850 350 2HD2 LEU 47 2HD2 LEU 47 -0.682 -5.137 -13.049 351 3HD2 LEU 47 3HD2 LEU 47 -0.902 -3.618 -12.147 352 H GLU 48 H GLU 48 1.910 -4.121 -7.878 353 HA GLU 48 HA GLU 48 2.902 -6.783 -8.044 354 1HB GLU 48 2HB GLU 48 3.597 -4.308 -6.681 355 2HB GLU 48 1HB GLU 48 3.598 -5.632 -5.533 356 1HG GLU 48 2HG GLU 48 5.814 -5.555 -6.475 357 2HG GLU 48 1HG GLU 48 5.032 -6.957 -7.175 358 H LEU 49 H LEU 49 0.259 -5.103 -6.462 359 HA LEU 49 HA LEU 49 -0.049 -7.125 -4.426 360 1HB LEU 49 2HB LEU 49 -1.368 -4.543 -5.138 361 2HB LEU 49 1HB LEU 49 -2.260 -5.702 -4.172 362 HG LEU 49 HG LEU 49 0.291 -4.249 -3.490 363 1HD1 LEU 49 1HD1 LEU 49 -0.899 -3.356 -1.685 364 2HD1 LEU 49 2HD1 LEU 49 -2.063 -3.333 -3.032 365 3HD1 LEU 49 3HD1 LEU 49 -2.170 -4.597 -1.783 366 1HD2 LEU 49 1HD2 LEU 49 0.211 -5.682 -1.344 367 2HD2 LEU 49 2HD2 LEU 49 -0.725 -6.834 -2.327 368 3HD2 LEU 49 3HD2 LEU 49 0.927 -6.384 -2.815 369 H GLN 50 H GLN 50 -0.722 -6.822 -7.747 370 HA GLN 50 HA GLN 50 -2.977 -8.649 -7.468 371 1HB GLN 50 2HB GLN 50 -3.580 -6.604 -8.668 372 2HB GLN 50 1HB GLN 50 -2.211 -6.777 -9.748 373 1HG GLN 50 2HG GLN 50 -3.207 -8.477 -10.982 374 2HG GLN 50 1HG GLN 50 -4.083 -9.117 -9.605 375 1HE2 GLN 50 1HE2 GLN 50 -4.529 -7.808 -12.478 376 2HE2 GLN 50 2HE2 GLN 50 -5.994 -6.908 -12.267 377 H SER 51 H SER 51 0.197 -8.906 -7.578 378 HA SER 51 HA SER 51 0.154 -10.939 -9.671 379 1HB SER 51 2HB SER 51 2.014 -8.769 -9.148 380 2HB SER 51 1HB SER 51 2.855 -10.299 -8.997 381 HG SER 51 HG SER 51 2.513 -10.768 -11.114 382 H GLN 52 H GLN 52 1.830 -9.997 -6.575 383 HA GLN 52 HA GLN 52 2.389 -12.746 -6.048 384 1HB GLN 52 2HB GLN 52 2.835 -10.258 -4.339 385 2HB GLN 52 1HB GLN 52 3.468 -11.851 -3.980 386 1HG GLN 52 2HG GLN 52 4.066 -10.871 -6.733 387 2HG GLN 52 1HG GLN 52 4.805 -9.934 -5.449 388 1HE2 GLN 52 1HE2 GLN 52 6.600 -10.631 -4.546 389 2HE2 GLN 52 2HE2 GLN 52 7.298 -12.209 -4.708 390 H PHE 53 H PHE 53 -0.103 -10.385 -5.306 391 HA PHE 53 HA PHE 53 -1.235 -12.280 -3.367 392 1HB PHE 53 2HB PHE 53 -1.855 -9.293 -3.628 393 2HB PHE 53 1HB PHE 53 -2.131 -10.314 -2.231 394 HD1 PHE 53 1HD PHE 53 -0.604 -10.288 -0.485 395 HD2 PHE 53 2HD PHE 53 0.646 -8.956 -4.315 396 HE1 PHE 53 1HE PHE 53 1.589 -9.549 0.488 397 HE2 PHE 53 2HE PHE 53 2.839 -8.219 -3.344 398 HZ PHE 53 HZ PHE 53 3.284 -8.524 -0.954 399 H GLY 54 H GLY 54 -1.482 -10.923 -6.484 400 1HA GLY 54 2HA GLY 54 -3.144 -10.755 -8.000 401 2HA GLY 54 1HA GLY 54 -3.733 -12.235 -7.270 402 H VAL 55 H VAL 55 -3.489 -9.027 -5.647 403 HA VAL 55 HA VAL 55 -5.879 -9.084 -4.400 404 HB VAL 55 HB VAL 55 -4.038 -7.429 -4.152 405 1HG1 VAL 55 1HG1 VAL 55 -4.468 -6.932 -6.854 406 2HG1 VAL 55 2HG1 VAL 55 -5.144 -5.497 -6.045 407 3HG1 VAL 55 3HG1 VAL 55 -3.455 -5.972 -5.750 408 1HG2 VAL 55 1HG2 VAL 55 -5.649 -6.579 -2.843 409 2HG2 VAL 55 2HG2 VAL 55 -5.946 -5.422 -4.163 410 3HG2 VAL 55 3HG2 VAL 55 -6.920 -6.907 -4.046 411 H ASP 56 H ASP 56 -8.017 -8.276 -4.814 412 HA ASP 56 HA ASP 56 -8.581 -8.206 -7.673 413 1HB ASP 56 2HB ASP 56 -9.979 -9.407 -5.306 414 2HB ASP 56 1HB ASP 56 -11.017 -8.696 -6.526 415 H ALA 57 H ALA 57 -7.752 -5.800 -6.685 416 HA ALA 57 HA ALA 57 -10.204 -4.364 -5.936 417 1HB ALA 57 1HB ALA 57 -8.006 -4.416 -4.477 418 2HB ALA 57 2HB ALA 57 -7.421 -3.233 -5.672 419 3HB ALA 57 3HB ALA 57 -8.882 -2.884 -4.715 420 HA PRO 58 HA PRO 58 -10.002 -2.318 -9.740 421 1HB PRO 58 2HB PRO 58 -11.287 0.029 -9.184 422 2HB PRO 58 1HB PRO 58 -12.131 -1.476 -9.491 423 1HG PRO 58 2HG PRO 58 -11.689 -0.090 -6.918 424 2HG PRO 58 1HG PRO 58 -12.860 -1.334 -7.308 425 1HD PRO 58 2HD PRO 58 -10.420 -1.674 -5.839 426 2HD PRO 58 1HD PRO 58 -11.533 -2.937 -6.328 427 H VAL 59 H VAL 59 -9.114 -0.584 -11.055 428 HA VAL 59 HA VAL 59 -6.993 0.752 -9.515 429 HB VAL 59 HB VAL 59 -6.885 -0.087 -12.413 430 1HG1 VAL 59 1HG1 VAL 59 -4.704 0.738 -10.466 431 2HG1 VAL 59 2HG1 VAL 59 -4.477 0.281 -12.171 432 3HG1 VAL 59 3HG1 VAL 59 -5.383 1.755 -11.759 433 1HG2 VAL 59 1HG2 VAL 59 -5.114 -1.681 -10.902 434 2HG2 VAL 59 2HG2 VAL 59 -6.674 -1.734 -10.048 435 3HG2 VAL 59 3HG2 VAL 59 -6.583 -2.199 -11.763 436 H SER 60 H SER 60 -9.416 0.922 -12.161 437 HA SER 60 HA SER 60 -8.961 3.278 -13.257 438 1HB SER 60 2HB SER 60 -11.530 3.574 -13.282 439 2HB SER 60 1HB SER 60 -10.884 2.099 -13.975 440 HG SER 60 HG SER 60 -12.732 2.246 -12.104 441 H GLU 61 H GLU 61 -10.788 2.829 -10.139 442 HA GLU 61 HA GLU 61 -9.691 5.306 -9.216 443 1HB GLU 61 2HB GLU 61 -12.359 5.199 -10.336 444 2HB GLU 61 1HB GLU 61 -12.483 5.522 -8.618 445 1HG GLU 61 2HG GLU 61 -11.505 7.598 -8.795 446 2HG GLU 61 1HG GLU 61 -10.336 7.063 -9.986 447 H PHE 62 H PHE 62 -8.682 3.620 -7.822 448 HA PHE 62 HA PHE 62 -10.358 2.065 -6.133 449 1HB PHE 62 2HB PHE 62 -8.037 1.729 -5.004 450 2HB PHE 62 1HB PHE 62 -8.121 1.279 -6.696 451 HD1 PHE 62 1HD PHE 62 -6.461 2.041 -8.104 452 HD2 PHE 62 2HD PHE 62 -7.326 4.262 -4.593 453 HE1 PHE 62 1HE PHE 62 -4.549 3.587 -8.609 454 HE2 PHE 62 2HE PHE 62 -5.414 5.809 -5.100 455 HZ PHE 62 HZ PHE 62 -4.049 5.452 -7.102 456 H ASP 63 H ASP 63 -10.020 2.165 -3.648 457 HA ASP 63 HA ASP 63 -10.781 4.784 -2.874 458 1HB ASP 63 2HB ASP 63 -11.722 2.620 -1.927 459 2HB ASP 63 1HB ASP 63 -10.180 2.339 -1.146 460 H ARG 64 H ARG 64 -8.942 6.187 -3.004 461 HA ARG 64 HA ARG 64 -6.384 5.508 -2.435 462 1HB ARG 64 2HB ARG 64 -7.956 8.059 -2.507 463 2HB ARG 64 1HB ARG 64 -6.420 8.152 -1.671 464 1HG ARG 64 2HG ARG 64 -5.271 7.191 -3.679 465 2HG ARG 64 1HG ARG 64 -6.808 7.105 -4.516 466 1HD ARG 64 2HD ARG 64 -5.461 9.156 -5.113 467 2HD ARG 64 1HD ARG 64 -7.053 9.535 -4.487 468 HE ARG 64 HE ARG 64 -5.108 9.430 -2.341 469 1HH1 ARG 64 2HH2 ARG 64 -6.257 11.464 -4.973 470 2HH1 ARG 64 1HH2 ARG 64 -5.749 12.941 -4.224 471 1HH2 ARG 64 2HH1 ARG 64 -4.437 11.378 -1.352 472 2HH2 ARG 64 1HH1 ARG 64 -4.707 12.892 -2.151 473 H LYS 65 H LYS 65 -9.075 6.268 -0.247 474 HA LYS 65 HA LYS 65 -7.560 6.887 2.031 475 1HB LYS 65 2HB LYS 65 -9.749 7.567 2.200 476 2HB LYS 65 1HB LYS 65 -10.388 6.120 1.445 477 1HG LYS 65 2HG LYS 65 -10.438 4.934 3.427 478 2HG LYS 65 1HG LYS 65 -8.960 5.659 4.026 479 1HD LYS 65 2HD LYS 65 -11.511 7.298 3.801 480 2HD LYS 65 1HD LYS 65 -11.223 6.277 5.197 481 1HE LYS 65 2HE LYS 65 -9.732 7.752 6.085 482 2HE LYS 65 1HE LYS 65 -8.840 7.868 4.580 483 1HZ LYS 65 1HZ LYS 65 -10.539 9.735 5.645 484 2HZ LYS 65 2HZ LYS 65 -9.805 9.791 4.187 485 3HZ LYS 65 3HZ LYS 65 -11.308 9.165 4.322 486 H GLU 66 H GLU 66 -8.450 3.851 0.428 487 HA GLU 66 HA GLU 66 -7.623 2.335 2.725 488 1HB GLU 66 2HB GLU 66 -9.537 1.517 1.449 489 2HB GLU 66 1HB GLU 66 -8.614 1.525 -0.041 490 1HG GLU 66 2HG GLU 66 -7.294 -0.337 0.605 491 2HG GLU 66 1HG GLU 66 -7.617 -0.103 2.312 492 H TRP 67 H TRP 67 -6.322 3.596 -0.287 493 HA TRP 67 HA TRP 67 -3.962 1.875 0.016 494 1HB TRP 67 2HB TRP 67 -4.708 3.546 -2.383 495 2HB TRP 67 1HB TRP 67 -3.467 2.313 -2.273 496 HD1 TRP 67 HD TRP 67 -7.158 2.713 -3.004 497 HE1 TRP 67 1HE TRP 67 -8.314 0.416 -3.599 498 HE3 TRP 67 3HE TRP 67 -3.255 -0.222 -1.586 499 HZ2 TRP 67 2HZ TRP 67 -7.486 -2.308 -3.414 500 HZ3 TRP 67 3HZ TRP 67 -3.511 -2.690 -1.826 501 HH2 TRP 67 HH TRP 67 -5.536 -3.741 -2.703 502 H ASP 68 H ASP 68 -4.840 4.313 1.642 503 HA ASP 68 HA ASP 68 -2.817 6.202 0.795 504 1HB ASP 68 2HB ASP 68 -4.739 7.417 1.329 505 2HB ASP 68 1HB ASP 68 -5.248 6.276 2.559 506 H THR 69 H THR 69 -3.771 3.901 3.363 507 HA THR 69 HA THR 69 -1.251 4.498 4.773 508 HB THR 69 HB THR 69 -2.694 3.344 6.701 509 HG1 THR 69 1HG THR 69 -4.990 3.887 6.208 510 1HG2 THR 69 1HG2 THR 69 -2.100 5.707 6.923 511 2HG2 THR 69 2HG2 THR 69 -3.214 6.157 5.610 512 3HG2 THR 69 3HG2 THR 69 -3.859 5.578 7.165 513 HA PRO 70 HA PRO 70 -0.029 0.444 4.096 514 1HB PRO 70 2HB PRO 70 1.457 -0.135 6.316 515 2HB PRO 70 1HB PRO 70 2.061 0.827 4.982 516 1HG PRO 70 2HG PRO 70 1.178 1.717 7.659 517 2HG PRO 70 1HG PRO 70 2.164 2.571 6.488 518 1HD PRO 70 2HD PRO 70 -0.609 3.032 7.059 519 2HD PRO 70 1HD PRO 70 0.346 3.804 5.809 520 H ASN 71 H ASN 71 -1.663 1.034 7.099 521 HA ASN 71 HA ASN 71 -2.069 -1.666 7.680 522 1HB ASN 71 2HB ASN 71 -2.745 0.897 8.811 523 2HB ASN 71 1HB ASN 71 -4.243 -0.001 8.672 524 1HD2 ASN 71 1HD2 ASN 71 -2.591 0.799 10.993 525 2HD2 ASN 71 2HD2 ASN 71 -2.271 -0.644 11.896 526 H LYS 72 H LYS 72 -4.156 0.943 6.221 527 HA LYS 72 HA LYS 72 -6.402 -0.587 5.759 528 1HB LYS 72 2HB LYS 72 -5.308 1.986 4.863 529 2HB LYS 72 1HB LYS 72 -6.347 1.230 3.673 530 1HG LYS 72 2HG LYS 72 -8.235 1.479 4.959 531 2HG LYS 72 1HG LYS 72 -7.401 1.070 6.446 532 1HD LYS 72 2HD LYS 72 -6.757 3.272 6.868 533 2HD LYS 72 1HD LYS 72 -6.670 3.691 5.168 534 1HE LYS 72 2HE LYS 72 -8.592 4.822 6.249 535 2HE LYS 72 1HE LYS 72 -9.148 3.709 5.013 536 1HZ LYS 72 1HZ LYS 72 -8.883 2.646 7.685 537 2HZ LYS 72 2HZ LYS 72 -10.102 3.704 7.439 538 3HZ LYS 72 3HZ LYS 72 -10.015 2.337 6.549 539 H ILE 73 H ILE 73 -3.322 -0.360 3.968 540 HA ILE 73 HA ILE 73 -4.340 -1.846 1.741 541 HB ILE 73 HB ILE 73 -1.611 -0.878 2.568 542 1HG1 ILE 73 2HG1 ILE 73 -3.533 -0.070 0.367 543 2HG1 ILE 73 1HG1 ILE 73 -3.138 0.851 1.804 544 1HG2 ILE 73 1HG2 ILE 73 -1.615 -1.720 -0.152 545 2HG2 ILE 73 2HG2 ILE 73 -0.620 -2.312 1.200 546 3HG2 ILE 73 3HG2 ILE 73 -2.187 -3.078 0.847 547 1HD1 ILE 73 1HD1 ILE 73 -0.741 0.025 0.280 548 2HD1 ILE 73 2HD1 ILE 73 -1.847 1.071 -0.644 549 3HD1 ILE 73 3HD1 ILE 73 -1.189 1.628 0.913 550 H ILE 74 H ILE 74 -2.017 -2.498 4.456 551 HA ILE 74 HA ILE 74 -1.463 -5.101 3.897 552 HB ILE 74 HB ILE 74 -1.498 -3.386 6.286 553 1HG1 ILE 74 2HG1 ILE 74 0.519 -5.403 5.259 554 2HG1 ILE 74 1HG1 ILE 74 0.445 -3.730 4.745 555 1HG2 ILE 74 1HG2 ILE 74 -2.673 -5.204 7.292 556 2HG2 ILE 74 2HG2 ILE 74 -1.593 -6.400 6.535 557 3HG2 ILE 74 3HG2 ILE 74 -0.970 -5.313 7.799 558 1HD1 ILE 74 1HD1 ILE 74 1.822 -3.284 6.497 559 2HD1 ILE 74 2HD1 ILE 74 0.394 -3.518 7.533 560 3HD1 ILE 74 3HD1 ILE 74 1.512 -4.872 7.240 561 H ALA 75 H ALA 75 -4.508 -3.681 4.931 562 HA ALA 75 HA ALA 75 -5.581 -6.255 5.715 563 1HB ALA 75 1HB ALA 75 -6.051 -3.620 6.460 564 2HB ALA 75 2HB ALA 75 -7.441 -3.996 5.412 565 3HB ALA 75 3HB ALA 75 -7.099 -5.010 6.835 566 H LYS 76 H LYS 76 -5.687 -3.892 3.018 567 HA LYS 76 HA LYS 76 -7.808 -5.135 1.650 568 1HB LYS 76 2HB LYS 76 -6.928 -2.773 1.364 569 2HB LYS 76 1HB LYS 76 -5.590 -3.452 0.458 570 1HG LYS 76 2HG LYS 76 -7.472 -2.704 -1.022 571 2HG LYS 76 1HG LYS 76 -7.111 -4.409 -1.205 572 1HD LYS 76 2HD LYS 76 -9.034 -5.077 0.064 573 2HD LYS 76 1HD LYS 76 -9.247 -3.477 0.747 574 1HE LYS 76 2HE LYS 76 -10.426 -2.724 -1.068 575 2HE LYS 76 1HE LYS 76 -9.328 -3.470 -2.212 576 1HZ LYS 76 1HZ LYS 76 -11.679 -4.593 -0.950 577 2HZ LYS 76 2HZ LYS 76 -11.157 -4.737 -2.490 578 3HZ LYS 76 3HZ LYS 76 -10.456 -5.616 -1.306 579 H VAL 77 H VAL 77 -4.368 -5.837 2.007 580 HA VAL 77 HA VAL 77 -4.186 -7.452 -0.327 581 HB VAL 77 HB VAL 77 -2.487 -7.269 2.170 582 1HG1 VAL 77 1HG1 VAL 77 -1.848 -9.315 1.270 583 2HG1 VAL 77 2HG1 VAL 77 -2.149 -8.792 -0.406 584 3HG1 VAL 77 3HG1 VAL 77 -0.724 -8.188 0.473 585 1HG2 VAL 77 1HG2 VAL 77 -1.375 -5.528 1.244 586 2HG2 VAL 77 2HG2 VAL 77 -1.530 -6.167 -0.410 587 3HG2 VAL 77 3HG2 VAL 77 -2.892 -5.301 0.341 588 H GLU 78 H GLU 78 -4.790 -8.028 3.185 589 HA GLU 78 HA GLU 78 -4.951 -10.833 2.765 590 1HB GLU 78 2HB GLU 78 -5.764 -9.146 5.173 591 2HB GLU 78 1HB GLU 78 -5.615 -10.892 5.165 592 1HG GLU 78 2HG GLU 78 -3.190 -9.631 4.098 593 2HG GLU 78 1HG GLU 78 -3.562 -9.016 5.696 594 H GLN 79 H GLN 79 -7.142 -8.065 2.706 595 HA GLN 79 HA GLN 79 -9.443 -9.787 2.881 596 1HB GLN 79 2HB GLN 79 -9.024 -6.789 2.756 597 2HB GLN 79 1HB GLN 79 -10.615 -7.466 2.468 598 1HG GLN 79 2HG GLN 79 -10.419 -8.702 4.684 599 2HG GLN 79 1HG GLN 79 -8.913 -7.854 4.975 600 1HE2 GLN 79 1HE2 GLN 79 -8.897 -5.745 5.560 601 2HE2 GLN 79 2HE2 GLN 79 -10.309 -4.813 5.933 602 H ALA 80 H ALA 80 -7.368 -9.801 0.597 603 HA ALA 80 HA ALA 80 -9.312 -9.362 -1.567 604 1HB ALA 80 1HB ALA 80 -6.308 -8.882 -1.495 605 2HB ALA 80 2HB ALA 80 -7.270 -8.906 -2.992 606 3HB ALA 80 3HB ALA 80 -7.594 -7.677 -1.746 607 H GLN 81 H GLN 81 -6.530 -11.259 -0.273 608 HA GLN 81 HA GLN 81 -6.290 -13.115 -2.203 609 1HB GLN 81 2HB GLN 81 -6.213 -13.619 0.804 610 2HB GLN 81 1HB GLN 81 -5.489 -14.653 -0.413 611 1HG GLN 81 2HG GLN 81 -3.694 -13.258 -0.718 612 2HG GLN 81 1HG GLN 81 -4.683 -11.811 -0.672 613 1HE2 GLN 81 1HE2 GLN 81 -2.879 -10.977 0.568 614 2HE2 GLN 81 2HE2 GLN 81 -2.810 -11.229 2.280 Start of MODEL 15 1 H ALA 2 H ALA 2 1.195 -15.491 0.507 2 HA ALA 2 HA ALA 2 1.769 -17.440 2.001 3 1HB ALA 2 1HB ALA 2 3.630 -17.466 0.747 4 2HB ALA 2 2HB ALA 2 3.364 -15.753 0.343 5 3HB ALA 2 3HB ALA 2 4.352 -16.191 1.758 6 H ASP 3 H ASP 3 0.537 -15.999 3.944 7 HA ASP 3 HA ASP 3 0.641 -15.732 6.104 8 1HB ASP 3 2HB ASP 3 3.659 -16.086 6.125 9 2HB ASP 3 1HB ASP 3 2.531 -16.406 7.426 10 H GLU 4 H GLU 4 2.820 -14.476 7.688 11 HA GLU 4 HA GLU 4 2.302 -11.875 7.376 12 1HB GLU 4 2HB GLU 4 4.061 -13.439 8.922 13 2HB GLU 4 1HB GLU 4 5.107 -12.262 8.153 14 1HG GLU 4 2HG GLU 4 4.409 -11.150 10.121 15 2HG GLU 4 1HG GLU 4 3.356 -10.477 8.893 16 H ALA 5 H ALA 5 4.335 -13.875 5.334 17 HA ALA 5 HA ALA 5 6.059 -11.982 4.284 18 1HB ALA 5 1HB ALA 5 4.940 -14.014 2.424 19 2HB ALA 5 2HB ALA 5 6.630 -13.679 2.871 20 3HB ALA 5 3HB ALA 5 5.599 -14.649 3.950 21 H ILE 6 H ILE 6 2.601 -12.245 4.076 22 HA ILE 6 HA ILE 6 2.444 -10.801 1.581 23 HB ILE 6 HB ILE 6 0.646 -12.299 3.339 24 1HG1 ILE 6 2HG1 ILE 6 0.623 -11.684 0.369 25 2HG1 ILE 6 1HG1 ILE 6 1.400 -13.063 1.119 26 1HG2 ILE 6 1HG2 ILE 6 -0.594 -10.407 3.778 27 2HG2 ILE 6 2HG2 ILE 6 -0.188 -9.642 2.223 28 3HG2 ILE 6 3HG2 ILE 6 -1.351 -10.987 2.275 29 1HD1 ILE 6 1HD1 ILE 6 -1.347 -12.790 0.326 30 2HD1 ILE 6 2HD1 ILE 6 -0.554 -14.199 1.071 31 3HD1 ILE 6 3HD1 ILE 6 -1.307 -12.955 2.099 32 H LYS 7 H LYS 7 1.952 -10.240 5.108 33 HA LYS 7 HA LYS 7 1.129 -7.550 4.731 34 1HB LYS 7 2HB LYS 7 0.870 -9.319 6.743 35 2HB LYS 7 1HB LYS 7 2.272 -8.448 7.331 36 1HG LYS 7 2HG LYS 7 0.970 -6.274 6.877 37 2HG LYS 7 1HG LYS 7 -0.442 -7.270 6.587 38 1HD LYS 7 2HD LYS 7 1.191 -7.417 9.162 39 2HD LYS 7 1HD LYS 7 -0.197 -6.364 8.973 40 1HE LYS 7 2HE LYS 7 -1.493 -8.519 8.243 41 2HE LYS 7 1HE LYS 7 -0.136 -9.406 8.909 42 1HZ LYS 7 1HZ LYS 7 -1.948 -8.994 10.489 43 2HZ LYS 7 2HZ LYS 7 -0.514 -8.411 11.008 44 3HZ LYS 7 3HZ LYS 7 -1.646 -7.390 10.420 45 H ASN 8 H ASN 8 4.237 -9.232 5.365 46 HA ASN 8 HA ASN 8 5.647 -6.854 5.825 47 1HB ASN 8 2HB ASN 8 6.268 -9.364 6.373 48 2HB ASN 8 1HB ASN 8 6.884 -9.418 4.734 49 1HD2 ASN 8 1HD2 ASN 8 8.635 -9.894 6.635 50 2HD2 ASN 8 2HD2 ASN 8 9.727 -8.577 6.903 51 H GLY 9 H GLY 9 5.495 -9.204 3.035 52 1HA GLY 9 2HA GLY 9 7.103 -7.981 1.215 53 2HA GLY 9 1HA GLY 9 5.651 -8.874 0.810 54 H VAL 10 H VAL 10 3.739 -7.087 2.149 55 HA VAL 10 HA VAL 10 3.339 -5.268 0.048 56 HB VAL 10 HB VAL 10 2.085 -5.927 2.663 57 1HG1 VAL 10 1HG1 VAL 10 1.802 -3.273 1.272 58 2HG1 VAL 10 2HG1 VAL 10 0.406 -3.998 2.105 59 3HG1 VAL 10 3HG1 VAL 10 1.896 -3.641 3.012 60 1HG2 VAL 10 1HG2 VAL 10 0.840 -7.091 1.216 61 2HG2 VAL 10 2HG2 VAL 10 0.153 -5.539 0.679 62 3HG2 VAL 10 3HG2 VAL 10 1.545 -6.241 -0.180 63 H LEU 11 H LEU 11 4.388 -4.820 3.496 64 HA LEU 11 HA LEU 11 4.770 -2.054 3.236 65 1HB LEU 11 2HB LEU 11 4.728 -3.878 5.271 66 2HB LEU 11 1HB LEU 11 6.434 -3.485 5.195 67 HG LEU 11 HG LEU 11 6.041 -1.185 5.651 68 1HD1 LEU 11 1HD1 LEU 11 4.262 -0.399 4.469 69 2HD1 LEU 11 2HD1 LEU 11 3.241 -1.809 4.838 70 3HD1 LEU 11 3HD1 LEU 11 3.492 -0.546 6.067 71 1HD2 LEU 11 1HD2 LEU 11 5.915 -2.781 7.568 72 2HD2 LEU 11 2HD2 LEU 11 5.056 -1.245 7.834 73 3HD2 LEU 11 3HD2 LEU 11 4.140 -2.719 7.442 74 H ASP 12 H ASP 12 6.882 -4.904 2.685 75 HA ASP 12 HA ASP 12 9.237 -3.482 2.433 76 1HB ASP 12 2HB ASP 12 8.562 -6.115 2.408 77 2HB ASP 12 1HB ASP 12 8.760 -5.881 0.683 78 H ILE 13 H ILE 13 6.457 -4.025 0.293 79 HA ILE 13 HA ILE 13 7.917 -3.029 -2.019 80 HB ILE 13 HB ILE 13 5.433 -4.559 -1.541 81 1HG1 ILE 13 2HG1 ILE 13 7.011 -4.767 -4.046 82 2HG1 ILE 13 1HG1 ILE 13 7.871 -5.153 -2.569 83 1HG2 ILE 13 1HG2 ILE 13 4.400 -2.692 -2.598 84 2HG2 ILE 13 2HG2 ILE 13 5.700 -2.573 -3.808 85 3HG2 ILE 13 3HG2 ILE 13 4.587 -3.962 -3.832 86 1HD1 ILE 13 1HD1 ILE 13 5.110 -6.309 -3.027 87 2HD1 ILE 13 2HD1 ILE 13 6.528 -7.048 -3.809 88 3HD1 ILE 13 3HD1 ILE 13 6.441 -6.948 -2.034 89 H LEU 14 H LEU 14 6.150 -1.863 0.656 90 HA LEU 14 HA LEU 14 5.046 0.386 -0.815 91 1HB LEU 14 2HB LEU 14 4.307 -1.060 1.474 92 2HB LEU 14 1HB LEU 14 4.793 0.519 2.060 93 HG LEU 14 HG LEU 14 3.214 1.567 0.432 94 1HD1 LEU 14 1HD1 LEU 14 2.970 -1.209 -0.454 95 2HD1 LEU 14 2HD1 LEU 14 1.398 -0.429 -0.153 96 3HD1 LEU 14 3HD1 LEU 14 2.555 0.308 -1.288 97 1HD2 LEU 14 1HD2 LEU 14 2.618 1.200 2.792 98 2HD2 LEU 14 2HD2 LEU 14 1.205 1.100 1.713 99 3HD2 LEU 14 3HD2 LEU 14 1.935 -0.387 2.364 100 H ALA 15 H ALA 15 7.453 -0.335 1.792 101 HA ALA 15 HA ALA 15 8.282 2.341 2.058 102 1HB ALA 15 1HB ALA 15 9.156 -0.367 2.949 103 2HB ALA 15 2HB ALA 15 10.405 0.901 2.940 104 3HB ALA 15 3HB ALA 15 8.917 1.126 3.889 105 H ASP 16 H ASP 16 9.073 -0.298 -0.183 106 HA ASP 16 HA ASP 16 11.473 0.866 -1.072 107 1HB ASP 16 2HB ASP 16 9.684 -1.390 -1.856 108 2HB ASP 16 1HB ASP 16 10.617 -0.711 -3.174 109 H LEU 17 H LEU 17 8.002 0.944 -2.010 110 HA LEU 17 HA LEU 17 8.303 2.169 -4.500 111 1HB LEU 17 2HB LEU 17 6.246 1.167 -2.963 112 2HB LEU 17 1HB LEU 17 5.896 2.884 -2.998 113 HG LEU 17 HG LEU 17 6.484 2.305 -5.652 114 1HD1 LEU 17 1HD1 LEU 17 4.535 0.172 -4.893 115 2HD1 LEU 17 2HD1 LEU 17 5.605 0.299 -6.309 116 3HD1 LEU 17 3HD1 LEU 17 6.275 -0.162 -4.726 117 1HD2 LEU 17 1HD2 LEU 17 4.129 2.709 -6.048 118 2HD2 LEU 17 2HD2 LEU 17 3.754 2.379 -4.340 119 3HD2 LEU 17 3HD2 LEU 17 4.730 3.802 -4.778 120 H THR 18 H THR 18 7.620 3.592 -1.228 121 HA THR 18 HA THR 18 7.716 6.254 -2.118 122 HB THR 18 HB THR 18 7.876 6.700 0.345 123 HG1 THR 18 1HG THR 18 8.279 4.804 1.667 124 1HG2 THR 18 1HG2 THR 18 5.662 5.830 -0.652 125 2HG2 THR 18 2HG2 THR 18 6.158 4.210 -0.108 126 3HG2 THR 18 3HG2 THR 18 5.892 5.505 1.083 127 H GLY 19 H GLY 19 10.256 4.097 -0.727 128 1HA GLY 19 2HA GLY 19 12.480 4.187 -1.432 129 2HA GLY 19 1HA GLY 19 12.256 5.835 -1.986 130 H SER 20 H SER 20 10.755 5.249 1.080 131 HA SER 20 HA SER 20 13.133 6.272 2.420 132 1HB SER 20 2HB SER 20 10.374 7.382 2.304 133 2HB SER 20 1HB SER 20 11.062 7.318 3.914 134 HG SER 20 HG SER 20 11.559 9.126 1.982 135 H ASP 21 H ASP 21 12.561 6.133 5.024 136 HA ASP 21 HA ASP 21 11.485 3.446 5.376 137 1HB ASP 21 2HB ASP 21 14.060 3.980 5.741 138 2HB ASP 21 1HB ASP 21 13.519 4.700 7.244 139 H ASP 22 H ASP 22 9.363 4.539 5.805 140 HA ASP 22 HA ASP 22 9.306 5.555 8.520 141 1HB ASP 22 2HB ASP 22 9.071 7.274 6.387 142 2HB ASP 22 1HB ASP 22 7.394 6.805 6.586 143 H VAL 23 H VAL 23 7.557 4.403 5.564 144 HA VAL 23 HA VAL 23 5.216 3.678 7.046 145 HB VAL 23 HB VAL 23 5.317 4.474 4.657 146 1HG1 VAL 23 1HG1 VAL 23 5.736 1.767 3.604 147 2HG1 VAL 23 2HG1 VAL 23 6.358 3.332 3.028 148 3HG1 VAL 23 3HG1 VAL 23 7.194 2.471 4.343 149 1HG2 VAL 23 1HG2 VAL 23 3.219 3.706 5.057 150 2HG2 VAL 23 2HG2 VAL 23 3.722 2.407 3.948 151 3HG2 VAL 23 3HG2 VAL 23 3.792 2.152 5.708 152 H LYS 24 H LYS 24 8.341 2.388 6.732 153 HA LYS 24 HA LYS 24 7.616 -0.368 6.625 154 1HB LYS 24 2HB LYS 24 9.757 0.440 5.764 155 2HB LYS 24 1HB LYS 24 10.216 1.011 7.356 156 1HG LYS 24 2HG LYS 24 9.467 -1.669 7.799 157 2HG LYS 24 1HG LYS 24 10.300 -1.721 6.258 158 1HD LYS 24 2HD LYS 24 12.326 -0.891 7.169 159 2HD LYS 24 1HD LYS 24 11.528 -0.163 8.549 160 1HE LYS 24 2HE LYS 24 11.561 -3.181 8.132 161 2HE LYS 24 1HE LYS 24 12.865 -2.354 8.961 162 1HZ LYS 24 1HZ LYS 24 10.965 -1.355 10.329 163 2HZ LYS 24 2HZ LYS 24 10.077 -2.606 9.768 164 3HZ LYS 24 3HZ LYS 24 11.430 -2.890 10.639 165 H LYS 25 H LYS 25 7.853 2.125 9.094 166 HA LYS 25 HA LYS 25 7.673 0.055 11.162 167 1HB LYS 25 2HB LYS 25 9.525 1.707 11.342 168 2HB LYS 25 1HB LYS 25 8.347 2.999 11.439 169 1HG LYS 25 2HG LYS 25 8.159 0.649 13.348 170 2HG LYS 25 1HG LYS 25 9.310 1.932 13.662 171 1HD LYS 25 2HD LYS 25 7.020 3.384 13.075 172 2HD LYS 25 1HD LYS 25 6.341 1.966 13.852 173 1HE LYS 25 2HE LYS 25 8.314 2.418 15.626 174 2HE LYS 25 1HE LYS 25 8.204 4.049 14.992 175 1HZ LYS 25 1HZ LYS 25 6.729 3.731 16.841 176 2HZ LYS 25 2HZ LYS 25 5.852 4.019 15.493 177 3HZ LYS 25 3HZ LYS 25 5.958 2.502 16.089 178 H ASN 26 H ASN 26 6.306 3.320 10.319 179 HA ASN 26 HA ASN 26 4.131 3.012 12.018 180 1HB ASN 26 2HB ASN 26 4.996 4.878 9.862 181 2HB ASN 26 1HB ASN 26 3.255 4.766 10.026 182 1HD2 ASN 26 1HD2 ASN 26 6.013 6.256 11.097 183 2HD2 ASN 26 2HD2 ASN 26 5.460 6.932 12.594 184 H LEU 27 H LEU 27 2.156 1.936 11.688 185 HA LEU 27 HA LEU 27 1.732 0.828 9.004 186 1HB LEU 27 2HB LEU 27 0.939 -0.176 11.736 187 2HB LEU 27 1HB LEU 27 0.303 -0.838 10.244 188 HG LEU 27 HG LEU 27 3.186 -0.770 10.113 189 1HD1 LEU 27 1HD1 LEU 27 2.359 -2.631 12.288 190 2HD1 LEU 27 2HD1 LEU 27 3.925 -1.845 11.976 191 3HD1 LEU 27 3HD1 LEU 27 2.593 -0.916 12.705 192 1HD2 LEU 27 1HD2 LEU 27 2.825 -3.255 9.828 193 2HD2 LEU 27 2HD2 LEU 27 1.087 -2.945 10.054 194 3HD2 LEU 27 3HD2 LEU 27 1.953 -2.203 8.686 195 H ASP 28 H ASP 28 1.093 3.574 9.678 196 HA ASP 28 HA ASP 28 -1.585 3.528 8.842 197 1HB ASP 28 2HB ASP 28 -1.192 3.517 11.661 198 2HB ASP 28 1HB ASP 28 -1.582 5.178 11.262 199 H LEU 29 H LEU 29 1.090 4.572 8.088 200 HA LEU 29 HA LEU 29 1.240 7.324 8.744 201 1HB LEU 29 2HB LEU 29 2.959 5.475 7.770 202 2HB LEU 29 1HB LEU 29 2.551 6.324 6.291 203 HG LEU 29 HG LEU 29 3.230 8.465 7.350 204 1HD1 LEU 29 1HD1 LEU 29 2.983 7.090 9.739 205 2HD1 LEU 29 2HD1 LEU 29 4.744 7.261 9.535 206 3HD1 LEU 29 3HD1 LEU 29 3.703 8.704 9.514 207 1HD2 LEU 29 1HD2 LEU 29 4.768 6.998 5.980 208 2HD2 LEU 29 2HD2 LEU 29 5.563 8.154 7.075 209 3HD2 LEU 29 3HD2 LEU 29 5.463 6.434 7.518 210 H ASN 30 H ASN 30 1.736 8.440 6.115 211 HA ASN 30 HA ASN 30 -0.899 8.217 4.915 212 1HB ASN 30 2HB ASN 30 0.259 10.558 6.288 213 2HB ASN 30 1HB ASN 30 -0.152 10.938 4.628 214 1HD2 ASN 30 1HD2 ASN 30 -1.519 8.926 7.238 215 2HD2 ASN 30 2HD2 ASN 30 -3.142 9.525 7.148 216 H LEU 31 H LEU 31 0.191 7.029 3.173 217 HA LEU 31 HA LEU 31 2.536 7.784 1.949 218 1HB LEU 31 2HB LEU 31 0.204 6.516 0.528 219 2HB LEU 31 1HB LEU 31 1.913 6.335 0.183 220 HG LEU 31 HG LEU 31 0.360 5.201 2.515 221 1HD1 LEU 31 1HD1 LEU 31 1.958 3.259 1.247 222 2HD1 LEU 31 2HD1 LEU 31 0.186 3.428 1.195 223 3HD1 LEU 31 3HD1 LEU 31 1.192 4.201 -0.053 224 1HD2 LEU 31 1HD2 LEU 31 2.791 4.155 2.922 225 2HD2 LEU 31 2HD2 LEU 31 3.273 5.739 2.268 226 3HD2 LEU 31 3HD2 LEU 31 2.233 5.651 3.710 227 H PHE 32 H PHE 32 -0.568 9.349 1.951 228 HA PHE 32 HA PHE 32 0.038 10.788 -0.501 229 1HB PHE 32 2HB PHE 32 -2.281 10.422 1.441 230 2HB PHE 32 1HB PHE 32 -2.288 11.843 0.416 231 HD1 PHE 32 1HD PHE 32 -2.151 8.135 0.309 232 HD2 PHE 32 2HD PHE 32 -3.027 11.708 -1.807 233 HE1 PHE 32 1HE PHE 32 -3.149 6.786 -1.556 234 HE2 PHE 32 2HE PHE 32 -4.025 10.358 -3.672 235 HZ PHE 32 HZ PHE 32 -4.074 7.913 -3.524 236 H GLU 33 H GLU 33 -0.885 11.553 2.938 237 HA GLU 33 HA GLU 33 -0.223 14.244 2.674 238 1HB GLU 33 2HB GLU 33 -1.655 12.927 4.474 239 2HB GLU 33 1HB GLU 33 -0.131 12.804 5.332 240 1HG GLU 33 2HG GLU 33 -0.430 15.525 4.385 241 2HG GLU 33 1HG GLU 33 -1.911 15.057 5.196 242 H THR 34 H THR 34 1.749 11.457 2.784 243 HA THR 34 HA THR 34 3.970 12.812 4.100 244 HB THR 34 HB THR 34 3.617 9.992 2.952 245 HG1 THR 34 1HG THR 34 2.298 10.629 4.846 246 1HG2 THR 34 1HG2 THR 34 5.619 10.794 5.075 247 2HG2 THR 34 2HG2 THR 34 5.670 9.416 3.949 248 3HG2 THR 34 3HG2 THR 34 6.043 11.056 3.366 249 H GLY 35 H GLY 35 2.620 12.420 0.947 250 1HA GLY 35 2HA GLY 35 3.333 13.274 -1.020 251 2HA GLY 35 1HA GLY 35 4.747 13.928 -0.217 252 H LEU 36 H LEU 36 4.558 10.663 0.644 253 HA LEU 36 HA LEU 36 6.809 10.009 -0.938 254 1HB LEU 36 2HB LEU 36 5.063 8.593 1.034 255 2HB LEU 36 1HB LEU 36 6.156 7.656 0.036 256 HG LEU 36 HG LEU 36 6.903 9.855 1.980 257 1HD1 LEU 36 1HD1 LEU 36 7.365 8.269 3.484 258 2HD1 LEU 36 2HD1 LEU 36 6.355 7.206 2.475 259 3HD1 LEU 36 3HD1 LEU 36 8.124 7.206 2.276 260 1HD2 LEU 36 1HD2 LEU 36 9.272 8.722 1.273 261 2HD2 LEU 36 2HD2 LEU 36 8.400 8.686 -0.279 262 3HD2 LEU 36 3HD2 LEU 36 8.622 10.228 0.582 263 H LEU 37 H LEU 37 3.292 9.585 -1.249 264 HA LEU 37 HA LEU 37 3.804 8.399 -3.881 265 1HB LEU 37 2HB LEU 37 2.845 6.950 -1.792 266 2HB LEU 37 1HB LEU 37 1.350 7.545 -2.486 267 HG LEU 37 HG LEU 37 3.289 6.394 -4.414 268 1HD1 LEU 37 1HD1 LEU 37 2.374 4.902 -2.049 269 2HD1 LEU 37 2HD1 LEU 37 2.040 4.100 -3.603 270 3HD1 LEU 37 3HD1 LEU 37 3.706 4.569 -3.183 271 1HD2 LEU 37 1HD2 LEU 37 0.565 7.090 -4.363 272 2HD2 LEU 37 2HD2 LEU 37 1.470 6.309 -5.682 273 3HD2 LEU 37 3HD2 LEU 37 0.616 5.314 -4.479 274 H ASP 38 H ASP 38 1.599 8.539 -5.208 275 HA ASP 38 HA ASP 38 0.178 10.941 -4.495 276 1HB ASP 38 2HB ASP 38 2.094 10.669 -6.770 277 2HB ASP 38 1HB ASP 38 0.547 11.371 -7.198 278 H SER 39 H SER 39 0.813 8.325 -6.935 279 HA SER 39 HA SER 39 -1.677 7.220 -6.753 280 1HB SER 39 2HB SER 39 -2.650 9.206 -7.740 281 2HB SER 39 1HB SER 39 -1.436 9.257 -9.002 282 HG SER 39 HG SER 39 -3.016 6.892 -8.795 283 H MET 40 H MET 40 0.735 8.222 -9.288 284 HA MET 40 HA MET 40 0.629 6.022 -10.846 285 1HB MET 40 2HB MET 40 2.767 8.008 -10.060 286 2HB MET 40 1HB MET 40 3.301 6.600 -10.956 287 1HG MET 40 2HG MET 40 0.981 8.348 -11.891 288 2HG MET 40 1HG MET 40 2.640 8.658 -12.362 289 1HE MET 40 1HE MET 40 -0.320 5.723 -12.815 290 2HE MET 40 2HE MET 40 -0.410 7.465 -13.168 291 3HE MET 40 3HE MET 40 -0.230 6.295 -14.498 292 H GLY 41 H GLY 41 2.135 6.381 -7.638 293 1HA GLY 41 2HA GLY 41 3.835 4.169 -7.651 294 2HA GLY 41 1HA GLY 41 3.083 4.896 -6.245 295 H THR 42 H THR 42 0.349 4.473 -6.663 296 HA THR 42 HA THR 42 -0.028 1.908 -5.752 297 HB THR 42 HB THR 42 -1.585 4.230 -6.531 298 HG1 THR 42 1HG THR 42 -1.954 1.718 -5.063 299 1HG2 THR 42 1HG2 THR 42 -2.774 1.497 -7.248 300 2HG2 THR 42 2HG2 THR 42 -3.690 3.018 -7.125 301 3HG2 THR 42 3HG2 THR 42 -2.464 2.818 -8.400 302 H VAL 43 H VAL 43 -0.074 3.112 -9.142 303 HA VAL 43 HA VAL 43 -1.048 0.860 -10.362 304 HB VAL 43 HB VAL 43 1.098 2.784 -11.275 305 1HG1 VAL 43 1HG1 VAL 43 1.340 1.302 -12.962 306 2HG1 VAL 43 2HG1 VAL 43 -0.198 0.480 -12.600 307 3HG1 VAL 43 3HG1 VAL 43 -0.196 1.989 -13.544 308 1HG2 VAL 43 1HG2 VAL 43 -1.306 3.347 -12.581 309 2HG2 VAL 43 2HG2 VAL 43 -1.779 3.030 -10.895 310 3HG2 VAL 43 3HG2 VAL 43 -0.565 4.280 -11.258 311 H GLN 44 H GLN 44 2.352 1.624 -9.378 312 HA GLN 44 HA GLN 44 3.343 -0.800 -10.379 313 1HB GLN 44 2HB GLN 44 4.704 1.274 -9.969 314 2HB GLN 44 1HB GLN 44 4.529 1.028 -8.242 315 1HG GLN 44 2HG GLN 44 5.948 -0.824 -8.210 316 2HG GLN 44 1HG GLN 44 5.549 -1.303 -9.847 317 1HE2 GLN 44 1HE2 GLN 44 7.330 0.983 -7.859 318 2HE2 GLN 44 2HE2 GLN 44 8.512 1.453 -9.034 319 H LEU 45 H LEU 45 2.663 0.361 -6.996 320 HA LEU 45 HA LEU 45 3.312 -1.898 -5.635 321 1HB LEU 45 2HB LEU 45 2.750 -0.405 -4.106 322 2HB LEU 45 1HB LEU 45 1.712 0.471 -5.213 323 HG LEU 45 HG LEU 45 -0.126 -1.125 -4.739 324 1HD1 LEU 45 1HD1 LEU 45 0.249 -3.088 -3.784 325 2HD1 LEU 45 2HD1 LEU 45 1.969 -2.675 -3.596 326 3HD1 LEU 45 3HD1 LEU 45 0.813 -2.275 -2.304 327 1HD2 LEU 45 1HD2 LEU 45 0.135 -0.417 -2.034 328 2HD2 LEU 45 2HD2 LEU 45 1.000 0.842 -2.949 329 3HD2 LEU 45 3HD2 LEU 45 -0.703 0.482 -3.321 330 H LEU 46 H LEU 46 0.400 -1.238 -7.608 331 HA LEU 46 HA LEU 46 -1.034 -3.501 -6.751 332 1HB LEU 46 2HB LEU 46 -1.264 -1.388 -8.745 333 2HB LEU 46 1HB LEU 46 -1.869 -2.925 -9.332 334 HG LEU 46 HG LEU 46 -2.758 -1.548 -6.781 335 1HD1 LEU 46 1HD1 LEU 46 -3.566 -0.258 -8.597 336 2HD1 LEU 46 2HD1 LEU 46 -4.007 -1.708 -9.530 337 3HD1 LEU 46 3HD1 LEU 46 -4.922 -1.281 -8.063 338 1HD2 LEU 46 1HD2 LEU 46 -4.004 -3.336 -6.238 339 2HD2 LEU 46 2HD2 LEU 46 -4.402 -3.712 -7.932 340 3HD2 LEU 46 3HD2 LEU 46 -2.839 -4.223 -7.250 341 H LEU 47 H LEU 47 1.422 -2.917 -9.297 342 HA LEU 47 HA LEU 47 1.109 -5.270 -10.706 343 1HB LEU 47 2HB LEU 47 2.706 -3.085 -10.853 344 2HB LEU 47 1HB LEU 47 3.864 -4.282 -10.306 345 HG LEU 47 HG LEU 47 3.893 -4.092 -12.726 346 1HD1 LEU 47 1HD1 LEU 47 3.189 -6.599 -11.350 347 2HD1 LEU 47 2HD1 LEU 47 2.963 -6.626 -13.115 348 3HD1 LEU 47 3HD1 LEU 47 4.552 -6.214 -12.427 349 1HD2 LEU 47 1HD2 LEU 47 1.988 -3.523 -13.738 350 2HD2 LEU 47 2HD2 LEU 47 1.583 -5.256 -13.691 351 3HD2 LEU 47 3HD2 LEU 47 0.986 -4.166 -12.415 352 H GLU 48 H GLU 48 2.932 -4.577 -7.677 353 HA GLU 48 HA GLU 48 3.891 -7.256 -7.578 354 1HB GLU 48 2HB GLU 48 4.473 -4.750 -6.283 355 2HB GLU 48 1HB GLU 48 4.131 -5.929 -5.032 356 1HG GLU 48 2HG GLU 48 6.509 -6.039 -5.530 357 2HG GLU 48 1HG GLU 48 5.768 -7.513 -6.121 358 H LEU 49 H LEU 49 1.062 -5.472 -6.512 359 HA LEU 49 HA LEU 49 0.379 -7.405 -4.485 360 1HB LEU 49 2HB LEU 49 -0.137 -4.761 -4.812 361 2HB LEU 49 1HB LEU 49 -1.624 -5.452 -5.429 362 HG LEU 49 HG LEU 49 -1.752 -6.786 -3.252 363 1HD1 LEU 49 1HD1 LEU 49 -0.256 -4.847 -1.715 364 2HD1 LEU 49 2HD1 LEU 49 -0.175 -6.625 -1.699 365 3HD1 LEU 49 3HD1 LEU 49 0.802 -5.700 -2.864 366 1HD2 LEU 49 1HD2 LEU 49 -1.919 -3.810 -2.803 367 2HD2 LEU 49 2HD2 LEU 49 -3.029 -4.654 -3.910 368 3HD2 LEU 49 3HD2 LEU 49 -2.975 -5.104 -2.188 369 H GLN 50 H GLN 50 0.343 -7.319 -7.859 370 HA GLN 50 HA GLN 50 -1.974 -9.093 -7.890 371 1HB GLN 50 2HB GLN 50 -2.249 -6.990 -9.224 372 2HB GLN 50 1HB GLN 50 -0.846 -7.424 -10.182 373 1HG GLN 50 2HG GLN 50 -1.939 -9.296 -11.172 374 2HG GLN 50 1HG GLN 50 -3.162 -9.368 -9.918 375 1HE2 GLN 50 1HE2 GLN 50 -5.063 -8.852 -10.658 376 2HE2 GLN 50 2HE2 GLN 50 -5.455 -7.584 -11.771 377 H SER 51 H SER 51 1.126 -9.415 -7.426 378 HA SER 51 HA SER 51 1.437 -11.474 -9.470 379 1HB SER 51 2HB SER 51 3.079 -9.297 -9.133 380 2HB SER 51 1HB SER 51 3.883 -10.459 -8.097 381 HG SER 51 HG SER 51 4.765 -11.138 -9.932 382 H GLN 52 H GLN 52 2.507 -10.465 -6.137 383 HA GLN 52 HA GLN 52 2.925 -13.221 -5.469 384 1HB GLN 52 2HB GLN 52 3.225 -10.663 -3.835 385 2HB GLN 52 1HB GLN 52 3.649 -12.259 -3.249 386 1HG GLN 52 2HG GLN 52 4.818 -11.570 -5.904 387 2HG GLN 52 1HG GLN 52 5.381 -10.567 -4.582 388 1HE2 GLN 52 1HE2 GLN 52 7.001 -11.272 -3.420 389 2HE2 GLN 52 2HE2 GLN 52 7.559 -12.906 -3.283 390 H PHE 53 H PHE 53 0.438 -10.757 -5.193 391 HA PHE 53 HA PHE 53 -1.031 -12.514 -3.354 392 1HB PHE 53 2HB PHE 53 -1.536 -9.554 -3.964 393 2HB PHE 53 1HB PHE 53 -2.097 -10.453 -2.569 394 HD1 PHE 53 1HD PHE 53 -0.888 -10.381 -0.579 395 HD2 PHE 53 2HD PHE 53 1.024 -9.233 -4.189 396 HE1 PHE 53 1HE PHE 53 1.107 -9.596 0.727 397 HE2 PHE 53 2HE PHE 53 3.019 -8.448 -2.883 398 HZ PHE 53 HZ PHE 53 3.036 -8.640 -0.441 399 H GLY 54 H GLY 54 -0.861 -11.052 -6.523 400 1HA GLY 54 2HA GLY 54 -2.266 -11.026 -8.280 401 2HA GLY 54 1HA GLY 54 -2.854 -12.555 -7.659 402 H VAL 55 H VAL 55 -3.071 -9.188 -6.311 403 HA VAL 55 HA VAL 55 -5.849 -9.627 -5.725 404 HB VAL 55 HB VAL 55 -4.277 -8.472 -4.206 405 1HG1 VAL 55 1HG1 VAL 55 -3.443 -7.113 -6.471 406 2HG1 VAL 55 2HG1 VAL 55 -4.385 -5.890 -5.584 407 3HG1 VAL 55 3HG1 VAL 55 -3.019 -6.710 -4.790 408 1HG2 VAL 55 1HG2 VAL 55 -6.671 -6.895 -5.197 409 2HG2 VAL 55 2HG2 VAL 55 -6.622 -8.089 -3.878 410 3HG2 VAL 55 3HG2 VAL 55 -5.789 -6.526 -3.695 411 H ASP 56 H ASP 56 -7.590 -8.202 -6.491 412 HA ASP 56 HA ASP 56 -6.948 -7.136 -9.128 413 1HB ASP 56 2HB ASP 56 -9.156 -8.910 -8.160 414 2HB ASP 56 1HB ASP 56 -9.646 -7.642 -9.265 415 H ALA 57 H ALA 57 -6.591 -5.304 -7.238 416 HA ALA 57 HA ALA 57 -9.053 -4.112 -6.348 417 1HB ALA 57 1HB ALA 57 -6.252 -4.033 -5.678 418 2HB ALA 57 2HB ALA 57 -6.821 -2.375 -5.986 419 3HB ALA 57 3HB ALA 57 -7.636 -3.384 -4.768 420 HA PRO 58 HA PRO 58 -9.512 -1.400 -9.686 421 1HB PRO 58 2HB PRO 58 -10.918 0.646 -8.542 422 2HB PRO 58 1HB PRO 58 -11.658 -0.858 -9.050 423 1HG PRO 58 2HG PRO 58 -11.020 0.064 -6.314 424 2HG PRO 58 1HG PRO 58 -12.118 -1.207 -6.817 425 1HD PRO 58 2HD PRO 58 -9.493 -1.546 -5.712 426 2HD PRO 58 1HD PRO 58 -10.545 -2.808 -6.321 427 H VAL 59 H VAL 59 -9.487 1.194 -10.178 428 HA VAL 59 HA VAL 59 -7.345 2.433 -8.742 429 HB VAL 59 HB VAL 59 -6.920 1.323 -11.515 430 1HG1 VAL 59 1HG1 VAL 59 -4.907 2.655 -11.707 431 2HG1 VAL 59 2HG1 VAL 59 -6.299 3.734 -11.450 432 3HG1 VAL 59 3HG1 VAL 59 -5.187 3.380 -10.106 433 1HG2 VAL 59 1HG2 VAL 59 -4.719 0.623 -10.367 434 2HG2 VAL 59 2HG2 VAL 59 -5.556 0.996 -8.841 435 3HG2 VAL 59 3HG2 VAL 59 -6.205 -0.253 -9.930 436 H SER 60 H SER 60 -9.461 2.278 -11.656 437 HA SER 60 HA SER 60 -9.405 4.632 -12.711 438 1HB SER 60 2HB SER 60 -12.024 4.587 -12.678 439 2HB SER 60 1HB SER 60 -11.165 3.270 -13.449 440 HG SER 60 HG SER 60 -12.827 3.227 -11.235 441 H GLU 61 H GLU 61 -11.081 4.013 -9.545 442 HA GLU 61 HA GLU 61 -10.219 6.393 -8.443 443 1HB GLU 61 2HB GLU 61 -12.394 6.799 -10.223 444 2HB GLU 61 1HB GLU 61 -13.091 6.879 -8.616 445 1HG GLU 61 2HG GLU 61 -11.220 8.499 -7.976 446 2HG GLU 61 1HG GLU 61 -10.733 8.515 -9.659 447 H PHE 62 H PHE 62 -9.811 4.557 -6.941 448 HA PHE 62 HA PHE 62 -12.178 3.461 -5.677 449 1HB PHE 62 2HB PHE 62 -10.278 2.217 -4.404 450 2HB PHE 62 1HB PHE 62 -10.349 1.917 -6.129 451 HD1 PHE 62 1HD PHE 62 -8.820 4.526 -3.922 452 HD2 PHE 62 2HD PHE 62 -8.293 1.810 -7.140 453 HE1 PHE 62 1HE PHE 62 -6.430 5.259 -4.148 454 HE2 PHE 62 2HE PHE 62 -5.903 2.543 -7.366 455 HZ PHE 62 HZ PHE 62 -5.000 4.259 -5.868 456 H ASP 63 H ASP 63 -11.353 3.087 -3.057 457 HA ASP 63 HA ASP 63 -11.722 5.731 -2.070 458 1HB ASP 63 2HB ASP 63 -12.689 3.423 -1.205 459 2HB ASP 63 1HB ASP 63 -11.160 3.288 -0.360 460 H ARG 64 H ARG 64 -9.592 6.659 -2.715 461 HA ARG 64 HA ARG 64 -7.174 5.626 -2.264 462 1HB ARG 64 2HB ARG 64 -6.508 8.149 -1.801 463 2HB ARG 64 1HB ARG 64 -7.164 7.706 -3.364 464 1HG ARG 64 2HG ARG 64 -8.934 9.090 -3.067 465 2HG ARG 64 1HG ARG 64 -9.377 8.264 -1.585 466 1HD ARG 64 2HD ARG 64 -7.273 9.701 -0.635 467 2HD ARG 64 1HD ARG 64 -7.733 10.756 -1.955 468 HE ARG 64 HE ARG 64 -9.315 10.177 0.465 469 1HH1 ARG 64 2HH2 ARG 64 -9.323 11.513 -2.792 470 2HH1 ARG 64 1HH2 ARG 64 -10.740 12.474 -2.530 471 1HH2 ARG 64 2HH1 ARG 64 -11.184 11.445 0.809 472 2HH2 ARG 64 1HH1 ARG 64 -11.806 12.436 -0.469 473 H LYS 65 H LYS 65 -9.512 6.720 0.122 474 HA LYS 65 HA LYS 65 -7.809 7.345 2.233 475 1HB LYS 65 2HB LYS 65 -9.982 8.020 2.573 476 2HB LYS 65 1HB LYS 65 -10.673 6.541 1.937 477 1HG LYS 65 2HG LYS 65 -10.559 5.450 3.961 478 2HG LYS 65 1HG LYS 65 -9.007 6.152 4.374 479 1HD LYS 65 2HD LYS 65 -11.133 8.188 4.299 480 2HD LYS 65 1HD LYS 65 -11.513 6.899 5.423 481 1HE LYS 65 2HE LYS 65 -9.989 7.670 6.918 482 2HE LYS 65 1HE LYS 65 -8.710 7.596 5.721 483 1HZ LYS 65 1HZ LYS 65 -8.872 9.814 6.244 484 2HZ LYS 65 2HZ LYS 65 -9.739 9.736 4.863 485 3HZ LYS 65 3HZ LYS 65 -10.504 9.824 6.303 486 H GLU 66 H GLU 66 -8.954 4.233 0.905 487 HA GLU 66 HA GLU 66 -7.888 2.801 3.132 488 1HB GLU 66 2HB GLU 66 -9.873 1.925 2.031 489 2HB GLU 66 1HB GLU 66 -9.077 1.921 0.469 490 1HG GLU 66 2HG GLU 66 -7.763 0.046 0.977 491 2HG GLU 66 1HG GLU 66 -7.781 0.361 2.700 492 H TRP 67 H TRP 67 -6.804 3.975 0.000 493 HA TRP 67 HA TRP 67 -4.455 2.229 0.128 494 1HB TRP 67 2HB TRP 67 -5.240 4.036 -2.151 495 2HB TRP 67 1HB TRP 67 -4.101 2.705 -2.160 496 HD1 TRP 67 HD TRP 67 -7.839 3.409 -2.477 497 HE1 TRP 67 1HE TRP 67 -9.188 1.247 -3.161 498 HE3 TRP 67 3HE TRP 67 -3.979 0.161 -1.840 499 HZ2 TRP 67 2HZ TRP 67 -8.506 -1.517 -3.355 500 HZ3 TRP 67 3HZ TRP 67 -4.405 -2.253 -2.299 501 HH2 TRP 67 HH TRP 67 -6.575 -3.106 -3.032 502 H ASP 68 H ASP 68 -5.303 4.771 1.771 503 HA ASP 68 HA ASP 68 -3.209 6.565 0.934 504 1HB ASP 68 2HB ASP 68 -5.047 7.844 1.571 505 2HB ASP 68 1HB ASP 68 -5.583 6.676 2.762 506 H THR 69 H THR 69 -4.095 4.181 3.431 507 HA THR 69 HA THR 69 -1.544 4.721 4.807 508 HB THR 69 HB THR 69 -2.998 3.396 6.667 509 HG1 THR 69 1HG THR 69 -5.228 3.837 6.259 510 1HG2 THR 69 1HG2 THR 69 -2.505 5.519 7.474 511 2HG2 THR 69 2HG2 THR 69 -2.860 6.298 5.913 512 3HG2 THR 69 3HG2 THR 69 -4.191 5.840 7.003 513 HA PRO 70 HA PRO 70 -0.312 0.720 3.876 514 1HB PRO 70 2HB PRO 70 1.271 0.061 6.004 515 2HB PRO 70 1HB PRO 70 1.810 1.089 4.692 516 1HG PRO 70 2HG PRO 70 1.031 1.847 7.441 517 2HG PRO 70 1HG PRO 70 1.957 2.765 6.271 518 1HD PRO 70 2HD PRO 70 -0.794 3.165 6.976 519 2HD PRO 70 1HD PRO 70 0.100 4.005 5.724 520 H ASN 71 H ASN 71 -1.708 1.106 7.049 521 HA ASN 71 HA ASN 71 -2.103 -1.610 7.472 522 1HB ASN 71 2HB ASN 71 -2.843 0.926 8.727 523 2HB ASN 71 1HB ASN 71 -4.222 -0.156 8.747 524 1HD2 ASN 71 1HD2 ASN 71 -3.458 0.356 11.111 525 2HD2 ASN 71 2HD2 ASN 71 -2.490 -0.871 11.858 526 H LYS 72 H LYS 72 -4.329 1.061 6.364 527 HA LYS 72 HA LYS 72 -6.570 -0.470 5.925 528 1HB LYS 72 2HB LYS 72 -5.588 2.184 5.203 529 2HB LYS 72 1HB LYS 72 -6.622 1.509 3.961 530 1HG LYS 72 2HG LYS 72 -8.434 1.145 5.537 531 2HG LYS 72 1HG LYS 72 -7.397 1.478 6.909 532 1HD LYS 72 2HD LYS 72 -7.301 3.734 5.076 533 2HD LYS 72 1HD LYS 72 -8.976 3.341 5.413 534 1HE LYS 72 2HE LYS 72 -6.813 3.842 7.514 535 2HE LYS 72 1HE LYS 72 -8.084 4.965 7.072 536 1HZ LYS 72 1HZ LYS 72 -8.764 3.792 8.977 537 2HZ LYS 72 2HZ LYS 72 -9.672 3.216 7.748 538 3HZ LYS 72 3HZ LYS 72 -8.425 2.333 8.325 539 H ILE 73 H ILE 73 -3.577 -0.180 4.044 540 HA ILE 73 HA ILE 73 -4.723 -1.455 1.739 541 HB ILE 73 HB ILE 73 -2.048 -0.394 2.535 542 1HG1 ILE 73 2HG1 ILE 73 -4.010 0.085 0.286 543 2HG1 ILE 73 1HG1 ILE 73 -3.522 1.192 1.555 544 1HG2 ILE 73 1HG2 ILE 73 -1.549 -2.605 1.602 545 2HG2 ILE 73 2HG2 ILE 73 -2.503 -2.210 0.151 546 3HG2 ILE 73 3HG2 ILE 73 -1.019 -1.298 0.516 547 1HD1 ILE 73 1HD1 ILE 73 -1.816 0.172 -0.755 548 2HD1 ILE 73 2HD1 ILE 73 -2.329 1.847 -0.439 549 3HD1 ILE 73 3HD1 ILE 73 -1.141 1.065 0.629 550 H ILE 74 H ILE 74 -2.568 -2.338 4.499 551 HA ILE 74 HA ILE 74 -2.015 -4.924 3.649 552 HB ILE 74 HB ILE 74 -1.829 -3.351 6.124 553 1HG1 ILE 74 2HG1 ILE 74 0.111 -5.454 5.229 554 2HG1 ILE 74 1HG1 ILE 74 -0.069 -4.005 4.258 555 1HG2 ILE 74 1HG2 ILE 74 -1.251 -5.470 7.435 556 2HG2 ILE 74 2HG2 ILE 74 -2.974 -5.093 7.200 557 3HG2 ILE 74 3HG2 ILE 74 -2.194 -6.345 6.204 558 1HD1 ILE 74 1HD1 ILE 74 0.698 -4.164 7.203 559 2HD1 ILE 74 2HD1 ILE 74 1.691 -3.567 5.852 560 3HD1 ILE 74 3HD1 ILE 74 0.272 -2.638 6.392 561 H ALA 75 H ALA 75 -4.942 -3.460 4.906 562 HA ALA 75 HA ALA 75 -6.071 -6.010 5.670 563 1HB ALA 75 1HB ALA 75 -8.077 -4.046 5.619 564 2HB ALA 75 2HB ALA 75 -7.146 -4.582 7.039 565 3HB ALA 75 3HB ALA 75 -6.602 -3.171 6.097 566 H LYS 76 H LYS 76 -5.452 -4.364 2.780 567 HA LYS 76 HA LYS 76 -7.885 -5.385 1.518 568 1HB LYS 76 2HB LYS 76 -6.057 -3.115 1.018 569 2HB LYS 76 1HB LYS 76 -6.571 -3.974 -0.420 570 1HG LYS 76 2HG LYS 76 -8.390 -2.769 1.717 571 2HG LYS 76 1HG LYS 76 -8.168 -2.171 0.085 572 1HD LYS 76 2HD LYS 76 -8.876 -4.821 -0.374 573 2HD LYS 76 1HD LYS 76 -9.815 -4.445 1.057 574 1HE LYS 76 2HE LYS 76 -10.286 -2.177 -0.405 575 2HE LYS 76 1HE LYS 76 -10.037 -3.320 -1.711 576 1HZ LYS 76 1HZ LYS 76 -12.346 -3.042 -0.616 577 2HZ LYS 76 2HZ LYS 76 -11.842 -4.519 -1.095 578 3HZ LYS 76 3HZ LYS 76 -11.768 -4.103 0.483 579 H VAL 77 H VAL 77 -4.585 -6.131 2.135 580 HA VAL 77 HA VAL 77 -4.302 -7.681 -0.305 581 HB VAL 77 HB VAL 77 -2.442 -7.285 2.047 582 1HG1 VAL 77 1HG1 VAL 77 -0.711 -8.218 0.670 583 2HG1 VAL 77 2HG1 VAL 77 -2.078 -9.358 0.669 584 3HG1 VAL 77 3HG1 VAL 77 -1.797 -8.302 -0.737 585 1HG2 VAL 77 1HG2 VAL 77 -1.957 -5.270 1.229 586 2HG2 VAL 77 2HG2 VAL 77 -1.516 -6.003 -0.333 587 3HG2 VAL 77 3HG2 VAL 77 -3.192 -5.480 -0.036 588 H GLU 78 H GLU 78 -4.807 -8.053 3.229 589 HA GLU 78 HA GLU 78 -4.668 -10.903 2.985 590 1HB GLU 78 2HB GLU 78 -5.247 -10.835 5.444 591 2HB GLU 78 1HB GLU 78 -3.799 -9.943 5.023 592 1HG GLU 78 2HG GLU 78 -4.691 -8.052 5.893 593 2HG GLU 78 1HG GLU 78 -6.007 -8.127 4.738 594 H GLN 79 H GLN 79 -7.025 -8.403 2.584 595 HA GLN 79 HA GLN 79 -9.191 -10.239 3.167 596 1HB GLN 79 2HB GLN 79 -9.171 -7.825 4.019 597 2HB GLN 79 1HB GLN 79 -9.385 -7.309 2.359 598 1HG GLN 79 2HG GLN 79 -11.621 -7.514 2.753 599 2HG GLN 79 1HG GLN 79 -11.364 -9.239 2.592 600 1HE2 GLN 79 1HE2 GLN 79 -11.219 -6.574 4.930 601 2HE2 GLN 79 2HE2 GLN 79 -11.732 -7.466 6.323 602 H ALA 80 H ALA 80 -7.229 -10.323 0.785 603 HA ALA 80 HA ALA 80 -9.288 -10.200 -1.314 604 1HB ALA 80 1HB ALA 80 -6.414 -10.108 -2.076 605 2HB ALA 80 2HB ALA 80 -7.803 -9.208 -2.733 606 3HB ALA 80 3HB ALA 80 -7.033 -8.674 -1.220 607 H GLN 81 H GLN 81 -6.437 -11.902 0.083 608 HA GLN 81 HA GLN 81 -6.121 -13.917 -1.629 609 1HB GLN 81 2HB GLN 81 -6.212 -14.224 1.405 610 2HB GLN 81 1HB GLN 81 -5.364 -15.279 0.292 611 1HG GLN 81 2HG GLN 81 -4.720 -12.418 1.046 612 2HG GLN 81 1HG GLN 81 -3.665 -13.817 1.064 613 1HE2 GLN 81 1HE2 GLN 81 -4.812 -11.147 -0.682 614 2HE2 GLN 81 2HE2 GLN 81 -4.021 -11.426 -2.197 Start of MODEL 16 1 H ALA 2 H ALA 2 1.830 -19.799 9.621 2 HA ALA 2 HA ALA 2 2.977 -20.414 7.350 3 1HB ALA 2 1HB ALA 2 0.038 -19.708 7.712 4 2HB ALA 2 2HB ALA 2 0.692 -20.668 6.364 5 3HB ALA 2 3HB ALA 2 0.804 -21.283 8.031 6 H ASP 3 H ASP 3 0.885 -17.458 7.680 7 HA ASP 3 HA ASP 3 1.879 -16.569 5.133 8 1HB ASP 3 2HB ASP 3 -0.433 -16.047 6.839 9 2HB ASP 3 1HB ASP 3 0.325 -14.531 6.394 10 H GLU 4 H GLU 4 2.950 -14.412 4.919 11 HA GLU 4 HA GLU 4 3.530 -12.715 6.932 12 1HB GLU 4 2HB GLU 4 4.915 -15.124 7.426 13 2HB GLU 4 1HB GLU 4 6.132 -14.056 6.755 14 1HG GLU 4 2HG GLU 4 6.172 -12.750 8.624 15 2HG GLU 4 1HG GLU 4 4.424 -12.647 8.691 16 H ALA 5 H ALA 5 4.599 -14.455 4.020 17 HA ALA 5 HA ALA 5 6.435 -12.503 3.134 18 1HB ALA 5 1HB ALA 5 6.122 -14.989 2.446 19 2HB ALA 5 2HB ALA 5 4.859 -14.375 1.353 20 3HB ALA 5 3HB ALA 5 6.539 -13.813 1.177 21 H ILE 6 H ILE 6 3.072 -12.394 3.592 22 HA ILE 6 HA ILE 6 2.618 -10.643 1.314 23 HB ILE 6 HB ILE 6 0.955 -12.220 3.182 24 1HG1 ILE 6 2HG1 ILE 6 0.778 -11.495 0.243 25 2HG1 ILE 6 1HG1 ILE 6 1.379 -12.996 0.918 26 1HG2 ILE 6 1HG2 ILE 6 -1.010 -10.666 2.256 27 2HG2 ILE 6 2HG2 ILE 6 -0.202 -10.372 3.814 28 3HG2 ILE 6 3HG2 ILE 6 0.271 -9.438 2.375 29 1HD1 ILE 6 1HD1 ILE 6 -1.126 -12.780 2.117 30 2HD1 ILE 6 2HD1 ILE 6 -1.407 -12.114 0.490 31 3HD1 ILE 6 3HD1 ILE 6 -0.753 -13.760 0.677 32 H LYS 7 H LYS 7 2.561 -10.628 4.932 33 HA LYS 7 HA LYS 7 1.946 -7.877 5.092 34 1HB LYS 7 2HB LYS 7 1.889 -9.957 6.829 35 2HB LYS 7 1HB LYS 7 3.382 -9.192 7.335 36 1HG LYS 7 2HG LYS 7 1.557 -7.052 6.933 37 2HG LYS 7 1HG LYS 7 0.623 -8.299 7.734 38 1HD LYS 7 2HD LYS 7 2.226 -8.427 9.574 39 2HD LYS 7 1HD LYS 7 3.361 -7.392 8.729 40 1HE LYS 7 2HE LYS 7 1.849 -5.472 8.901 41 2HE LYS 7 1HE LYS 7 0.559 -6.479 9.529 42 1HZ LYS 7 1HZ LYS 7 2.238 -5.157 11.059 43 2HZ LYS 7 2HZ LYS 7 1.497 -6.530 11.542 44 3HZ LYS 7 3HZ LYS 7 3.034 -6.581 10.990 45 H ASN 8 H ASN 8 4.983 -9.789 4.987 46 HA ASN 8 HA ASN 8 6.617 -7.597 5.590 47 1HB ASN 8 2HB ASN 8 6.925 -10.401 5.071 48 2HB ASN 8 1HB ASN 8 7.955 -9.583 3.913 49 1HD2 ASN 8 1HD2 ASN 8 8.952 -11.183 5.920 50 2HD2 ASN 8 2HD2 ASN 8 9.849 -10.239 7.062 51 H GLY 9 H GLY 9 5.636 -9.316 2.541 52 1HA GLY 9 2HA GLY 9 7.132 -7.809 0.728 53 2HA GLY 9 1HA GLY 9 5.662 -8.698 0.381 54 H VAL 10 H VAL 10 3.683 -7.428 1.826 55 HA VAL 10 HA VAL 10 3.058 -5.257 0.264 56 HB VAL 10 HB VAL 10 2.129 -6.330 2.896 57 1HG1 VAL 10 1HG1 VAL 10 1.406 -3.647 1.721 58 2HG1 VAL 10 2HG1 VAL 10 0.232 -4.572 2.688 59 3HG1 VAL 10 3HG1 VAL 10 1.783 -4.077 3.407 60 1HG2 VAL 10 1HG2 VAL 10 0.185 -6.942 1.709 61 2HG2 VAL 10 2HG2 VAL 10 0.535 -5.813 0.379 62 3HG2 VAL 10 3HG2 VAL 10 1.527 -7.276 0.587 63 H LEU 11 H LEU 11 4.810 -5.432 3.395 64 HA LEU 11 HA LEU 11 4.901 -2.588 3.660 65 1HB LEU 11 2HB LEU 11 5.009 -4.537 5.432 66 2HB LEU 11 1HB LEU 11 6.730 -4.451 5.113 67 HG LEU 11 HG LEU 11 6.882 -2.215 5.898 68 1HD1 LEU 11 1HD1 LEU 11 4.636 -1.150 6.792 69 2HD1 LEU 11 2HD1 LEU 11 5.136 -0.977 5.092 70 3HD1 LEU 11 3HD1 LEU 11 3.914 -2.190 5.541 71 1HD2 LEU 11 1HD2 LEU 11 5.518 -4.226 7.562 72 2HD2 LEU 11 2HD2 LEU 11 6.991 -3.275 7.871 73 3HD2 LEU 11 3HD2 LEU 11 5.389 -2.555 8.159 74 H ASP 12 H ASP 12 7.167 -5.203 2.614 75 HA ASP 12 HA ASP 12 9.358 -3.598 2.266 76 1HB ASP 12 2HB ASP 12 8.836 -6.246 1.950 77 2HB ASP 12 1HB ASP 12 8.827 -5.779 0.262 78 H ILE 13 H ILE 13 6.438 -4.150 0.287 79 HA ILE 13 HA ILE 13 7.549 -2.847 -2.030 80 HB ILE 13 HB ILE 13 5.065 -4.296 -1.318 81 1HG1 ILE 13 2HG1 ILE 13 6.120 -4.462 -4.044 82 2HG1 ILE 13 1HG1 ILE 13 7.337 -4.805 -2.831 83 1HG2 ILE 13 1HG2 ILE 13 3.956 -2.376 -2.081 84 2HG2 ILE 13 2HG2 ILE 13 5.158 -2.076 -3.358 85 3HG2 ILE 13 3HG2 ILE 13 4.033 -3.449 -3.499 86 1HD1 ILE 13 1HD1 ILE 13 4.606 -6.144 -3.079 87 2HD1 ILE 13 2HD1 ILE 13 6.191 -6.884 -3.407 88 3HD1 ILE 13 3HD1 ILE 13 5.746 -6.434 -1.743 89 H LEU 14 H LEU 14 6.042 -1.953 0.959 90 HA LEU 14 HA LEU 14 4.883 0.466 -0.079 91 1HB LEU 14 2HB LEU 14 4.778 -1.100 2.344 92 2HB LEU 14 1HB LEU 14 5.072 0.586 2.720 93 HG LEU 14 HG LEU 14 2.692 0.065 2.763 94 1HD1 LEU 14 1HD1 LEU 14 3.139 1.787 0.328 95 2HD1 LEU 14 2HD1 LEU 14 1.920 1.951 1.614 96 3HD1 LEU 14 3HD1 LEU 14 3.629 2.313 1.958 97 1HD2 LEU 14 1HD2 LEU 14 1.826 -0.223 0.178 98 2HD2 LEU 14 2HD2 LEU 14 3.301 -1.220 0.194 99 3HD2 LEU 14 3HD2 LEU 14 1.998 -1.538 1.364 100 H ALA 15 H ALA 15 7.628 -0.390 2.143 101 HA ALA 15 HA ALA 15 8.600 2.199 2.380 102 1HB ALA 15 1HB ALA 15 10.731 1.001 3.026 103 2HB ALA 15 2HB ALA 15 9.278 0.440 3.889 104 3HB ALA 15 3HB ALA 15 9.946 -0.524 2.549 105 H ASP 16 H ASP 16 8.983 -0.281 -0.159 106 HA ASP 16 HA ASP 16 11.145 1.000 -1.405 107 1HB ASP 16 2HB ASP 16 9.296 -1.256 -1.947 108 2HB ASP 16 1HB ASP 16 9.827 -0.439 -3.403 109 H LEU 17 H LEU 17 7.572 1.175 -1.567 110 HA LEU 17 HA LEU 17 7.372 2.548 -4.002 111 1HB LEU 17 2HB LEU 17 5.663 1.509 -2.033 112 2HB LEU 17 1HB LEU 17 5.289 3.218 -2.116 113 HG LEU 17 HG LEU 17 5.250 1.265 -4.433 114 1HD1 LEU 17 1HD1 LEU 17 2.792 1.782 -4.414 115 2HD1 LEU 17 2HD1 LEU 17 3.380 0.853 -3.014 116 3HD1 LEU 17 3HD1 LEU 17 3.040 2.592 -2.848 117 1HD2 LEU 17 1HD2 LEU 17 4.647 2.988 -5.882 118 2HD2 LEU 17 2HD2 LEU 17 4.264 4.108 -4.552 119 3HD2 LEU 17 3HD2 LEU 17 5.959 3.698 -4.910 120 H THR 18 H THR 18 7.352 3.741 -0.570 121 HA THR 18 HA THR 18 7.426 6.466 -1.390 122 HB THR 18 HB THR 18 7.564 6.856 1.020 123 HG1 THR 18 1HG THR 18 8.498 5.238 2.298 124 1HG2 THR 18 1HG2 THR 18 5.528 5.327 -0.042 125 2HG2 THR 18 2HG2 THR 18 6.172 4.216 1.191 126 3HG2 THR 18 3HG2 THR 18 5.592 5.831 1.664 127 H GLY 19 H GLY 19 9.901 4.103 -0.251 128 1HA GLY 19 2HA GLY 19 12.072 4.155 -1.199 129 2HA GLY 19 1HA GLY 19 11.936 5.889 -1.416 130 H SER 20 H SER 20 10.534 5.025 1.576 131 HA SER 20 HA SER 20 13.085 5.415 2.928 132 1HB SER 20 2HB SER 20 11.076 7.337 2.787 133 2HB SER 20 1HB SER 20 10.728 6.552 4.314 134 HG SER 20 HG SER 20 12.198 8.189 4.779 135 H ASP 21 H ASP 21 12.902 4.757 5.350 136 HA ASP 21 HA ASP 21 11.392 2.295 5.397 137 1HB ASP 21 2HB ASP 21 12.855 2.443 7.773 138 2HB ASP 21 1HB ASP 21 13.344 1.592 6.320 139 H ASP 22 H ASP 22 10.308 5.166 5.798 140 HA ASP 22 HA ASP 22 9.755 5.363 8.563 141 1HB ASP 22 2HB ASP 22 9.470 6.978 6.207 142 2HB ASP 22 1HB ASP 22 7.870 6.833 6.907 143 H VAL 23 H VAL 23 8.050 4.292 5.561 144 HA VAL 23 HA VAL 23 5.585 3.794 6.918 145 HB VAL 23 HB VAL 23 5.800 4.460 4.540 146 1HG1 VAL 23 1HG1 VAL 23 6.725 3.136 2.888 147 2HG1 VAL 23 2HG1 VAL 23 7.818 2.794 4.251 148 3HG1 VAL 23 3HG1 VAL 23 6.534 1.637 3.828 149 1HG2 VAL 23 1HG2 VAL 23 3.707 3.658 4.631 150 2HG2 VAL 23 2HG2 VAL 23 4.357 2.208 3.830 151 3HG2 VAL 23 3HG2 VAL 23 4.195 2.248 5.602 152 H LYS 24 H LYS 24 8.620 2.121 6.445 153 HA LYS 24 HA LYS 24 7.716 -0.513 6.540 154 1HB LYS 24 2HB LYS 24 9.950 -0.031 5.847 155 2HB LYS 24 1HB LYS 24 10.320 0.800 7.344 156 1HG LYS 24 2HG LYS 24 9.369 -2.032 7.614 157 2HG LYS 24 1HG LYS 24 10.949 -1.818 6.885 158 1HD LYS 24 2HD LYS 24 11.715 -0.502 8.833 159 2HD LYS 24 1HD LYS 24 10.117 -0.572 9.547 160 1HE LYS 24 2HE LYS 24 11.051 -2.368 10.668 161 2HE LYS 24 1HE LYS 24 10.498 -3.229 9.245 162 1HZ LYS 24 1HZ LYS 24 12.585 -3.427 8.473 163 2HZ LYS 24 2HZ LYS 24 13.108 -2.006 9.084 164 3HZ LYS 24 3HZ LYS 24 12.971 -3.312 10.055 165 H LYS 25 H LYS 25 7.650 2.019 8.907 166 HA LYS 25 HA LYS 25 7.204 0.008 11.002 167 1HB LYS 25 2HB LYS 25 9.173 1.554 11.297 168 2HB LYS 25 1HB LYS 25 8.047 2.894 11.380 169 1HG LYS 25 2HG LYS 25 7.491 0.535 13.161 170 2HG LYS 25 1HG LYS 25 8.862 1.541 13.582 171 1HD LYS 25 2HD LYS 25 6.128 2.745 12.989 172 2HD LYS 25 1HD LYS 25 6.548 2.173 14.591 173 1HE LYS 25 2HE LYS 25 7.467 4.224 14.951 174 2HE LYS 25 1HE LYS 25 8.772 3.723 13.895 175 1HZ LYS 25 1HZ LYS 25 6.594 5.501 13.361 176 2HZ LYS 25 2HZ LYS 25 8.093 5.465 12.714 177 3HZ LYS 25 3HZ LYS 25 6.931 4.471 12.140 178 H ASN 26 H ASN 26 6.300 3.478 10.412 179 HA ASN 26 HA ASN 26 4.009 3.495 11.764 180 1HB ASN 26 2HB ASN 26 5.182 5.343 10.289 181 2HB ASN 26 1HB ASN 26 4.146 4.770 8.997 182 1HD2 ASN 26 1HD2 ASN 26 4.409 7.162 11.034 183 2HD2 ASN 26 2HD2 ASN 26 2.766 7.509 11.459 184 H LEU 27 H LEU 27 1.742 3.037 11.266 185 HA LEU 27 HA LEU 27 1.397 1.280 8.936 186 1HB LEU 27 2HB LEU 27 -0.047 1.141 11.585 187 2HB LEU 27 1HB LEU 27 -0.263 0.067 10.218 188 HG LEU 27 HG LEU 27 2.523 0.134 11.028 189 1HD1 LEU 27 1HD1 LEU 27 1.708 0.701 13.232 190 2HD1 LEU 27 2HD1 LEU 27 0.509 -0.613 13.165 191 3HD1 LEU 27 3HD1 LEU 27 2.248 -0.995 13.211 192 1HD2 LEU 27 1HD2 LEU 27 1.777 -2.400 11.425 193 2HD2 LEU 27 2HD2 LEU 27 0.393 -1.859 10.445 194 3HD2 LEU 27 3HD2 LEU 27 2.047 -1.716 9.804 195 H ASP 28 H ASP 28 0.720 4.302 10.312 196 HA ASP 28 HA ASP 28 -1.639 4.491 8.613 197 1HB ASP 28 2HB ASP 28 -1.245 5.258 11.471 198 2HB ASP 28 1HB ASP 28 -2.023 6.484 10.490 199 H LEU 29 H LEU 29 1.196 5.025 7.994 200 HA LEU 29 HA LEU 29 1.581 7.862 8.248 201 1HB LEU 29 2HB LEU 29 3.518 6.571 8.447 202 2HB LEU 29 1HB LEU 29 3.127 5.583 7.052 203 HG LEU 29 HG LEU 29 3.344 8.258 6.119 204 1HD1 LEU 29 1HD1 LEU 29 5.340 9.119 6.898 205 2HD1 LEU 29 2HD1 LEU 29 4.623 8.446 8.383 206 3HD1 LEU 29 3HD1 LEU 29 5.900 7.550 7.526 207 1HD2 LEU 29 1HD2 LEU 29 5.277 7.320 4.860 208 2HD2 LEU 29 2HD2 LEU 29 5.133 5.832 5.825 209 3HD2 LEU 29 3HD2 LEU 29 3.799 6.331 4.758 210 H ASN 30 H ASN 30 -0.065 8.943 7.158 211 HA ASN 30 HA ASN 30 -1.354 8.312 4.960 212 1HB ASN 30 2HB ASN 30 -0.135 11.098 5.287 213 2HB ASN 30 1HB ASN 30 -1.670 10.701 4.539 214 1HD2 ASN 30 1HD2 ASN 30 -3.210 9.447 5.974 215 2HD2 ASN 30 2HD2 ASN 30 -3.394 9.989 7.608 216 H LEU 31 H LEU 31 -0.437 7.323 3.131 217 HA LEU 31 HA LEU 31 2.176 7.914 2.247 218 1HB LEU 31 2HB LEU 31 -0.058 6.536 0.754 219 2HB LEU 31 1HB LEU 31 1.657 6.438 0.409 220 HG LEU 31 HG LEU 31 0.769 5.599 3.131 221 1HD1 LEU 31 1HD1 LEU 31 -0.755 4.667 1.110 222 2HD1 LEU 31 2HD1 LEU 31 0.575 3.484 1.064 223 3HD1 LEU 31 3HD1 LEU 31 -0.352 3.723 2.565 224 1HD2 LEU 31 1HD2 LEU 31 3.132 5.570 2.558 225 2HD2 LEU 31 2HD2 LEU 31 2.531 3.914 2.816 226 3HD2 LEU 31 3HD2 LEU 31 2.803 4.516 1.162 227 H PHE 32 H PHE 32 -0.722 9.680 2.071 228 HA PHE 32 HA PHE 32 0.134 10.975 -0.416 229 1HB PHE 32 2HB PHE 32 -2.453 10.542 1.121 230 2HB PHE 32 1HB PHE 32 -2.336 11.995 0.150 231 HD1 PHE 32 1HD PHE 32 -2.619 11.915 -2.192 232 HD2 PHE 32 2HD PHE 32 -2.178 8.301 -0.013 233 HE1 PHE 32 1HE PHE 32 -3.275 10.606 -4.230 234 HE2 PHE 32 2HE PHE 32 -2.834 6.991 -2.051 235 HZ PHE 32 HZ PHE 32 -3.376 8.160 -4.136 236 H GLU 33 H GLU 33 -1.104 11.639 2.933 237 HA GLU 33 HA GLU 33 -0.614 14.388 2.727 238 1HB GLU 33 2HB GLU 33 -1.914 12.679 4.520 239 2HB GLU 33 1HB GLU 33 -0.565 13.284 5.463 240 1HG GLU 33 2HG GLU 33 -2.558 15.022 3.931 241 2HG GLU 33 1HG GLU 33 -2.583 14.748 5.662 242 H THR 34 H THR 34 1.490 11.713 2.991 243 HA THR 34 HA THR 34 3.520 13.223 4.458 244 HB THR 34 HB THR 34 3.418 10.328 3.459 245 HG1 THR 34 1HG THR 34 1.872 11.230 5.185 246 1HG2 THR 34 1HG2 THR 34 5.713 11.574 4.115 247 2HG2 THR 34 2HG2 THR 34 5.094 11.331 5.767 248 3HG2 THR 34 3HG2 THR 34 5.370 9.930 4.704 249 H GLY 35 H GLY 35 2.446 12.638 1.247 250 1HA GLY 35 2HA GLY 35 3.295 13.423 -0.697 251 2HA GLY 35 1HA GLY 35 4.644 14.119 0.177 252 H LEU 36 H LEU 36 4.149 10.781 0.951 253 HA LEU 36 HA LEU 36 6.599 10.102 -0.380 254 1HB LEU 36 2HB LEU 36 4.770 8.847 1.605 255 2HB LEU 36 1HB LEU 36 5.792 7.784 0.657 256 HG LEU 36 HG LEU 36 6.683 10.009 2.508 257 1HD1 LEU 36 1HD1 LEU 36 6.927 8.449 4.068 258 2HD1 LEU 36 2HD1 LEU 36 6.064 7.321 2.995 259 3HD1 LEU 36 3HD1 LEU 36 7.842 7.397 2.961 260 1HD2 LEU 36 1HD2 LEU 36 8.382 10.247 1.043 261 2HD2 LEU 36 2HD2 LEU 36 8.991 8.780 1.847 262 3HD2 LEU 36 3HD2 LEU 36 8.118 8.650 0.302 263 H LEU 37 H LEU 37 3.113 9.761 -0.909 264 HA LEU 37 HA LEU 37 3.753 8.270 -3.358 265 1HB LEU 37 2HB LEU 37 2.481 7.123 -1.352 266 2HB LEU 37 1HB LEU 37 1.105 7.992 -2.003 267 HG LEU 37 HG LEU 37 2.585 6.568 -4.083 268 1HD1 LEU 37 1HD1 LEU 37 1.669 4.303 -3.301 269 2HD1 LEU 37 2HD1 LEU 37 3.159 4.908 -2.537 270 3HD1 LEU 37 3HD1 LEU 37 1.604 5.034 -1.679 271 1HD2 LEU 37 1HD2 LEU 37 0.167 5.584 -4.309 272 2HD2 LEU 37 2HD2 LEU 37 -0.253 6.889 -3.175 273 3HD2 LEU 37 3HD2 LEU 37 0.499 7.279 -4.740 274 H ASP 38 H ASP 38 2.066 8.628 -5.116 275 HA ASP 38 HA ASP 38 0.945 11.302 -4.850 276 1HB ASP 38 2HB ASP 38 3.044 10.414 -6.633 277 2HB ASP 38 1HB ASP 38 1.630 10.777 -7.603 278 H SER 39 H SER 39 1.166 8.380 -7.031 279 HA SER 39 HA SER 39 -1.390 7.552 -6.746 280 1HB SER 39 2HB SER 39 -2.399 9.478 -7.650 281 2HB SER 39 1HB SER 39 -1.121 9.728 -8.822 282 HG SER 39 HG SER 39 -2.566 8.826 -10.149 283 H MET 40 H MET 40 1.330 8.199 -8.985 284 HA MET 40 HA MET 40 0.787 6.046 -10.692 285 1HB MET 40 2HB MET 40 3.123 7.881 -10.091 286 2HB MET 40 1HB MET 40 3.450 6.448 -11.044 287 1HG MET 40 2HG MET 40 1.315 8.532 -11.712 288 2HG MET 40 1HG MET 40 2.894 8.444 -12.466 289 1HE MET 40 1HE MET 40 3.053 6.228 -14.905 290 2HE MET 40 2HE MET 40 3.864 6.556 -13.355 291 3HE MET 40 3HE MET 40 3.118 4.968 -13.649 292 H GLY 41 H GLY 41 2.550 6.398 -7.613 293 1HA GLY 41 2HA GLY 41 4.132 4.124 -7.646 294 2HA GLY 41 1HA GLY 41 3.446 4.879 -6.222 295 H THR 42 H THR 42 0.745 4.516 -6.365 296 HA THR 42 HA THR 42 0.337 1.950 -5.518 297 HB THR 42 HB THR 42 -1.205 4.332 -6.178 298 HG1 THR 42 1HG THR 42 -1.205 3.490 -4.071 299 1HG2 THR 42 1HG2 THR 42 -2.419 3.130 -7.889 300 2HG2 THR 42 2HG2 THR 42 -2.370 1.617 -6.953 301 3HG2 THR 42 3HG2 THR 42 -3.398 2.965 -6.411 302 H VAL 43 H VAL 43 -0.130 3.233 -8.866 303 HA VAL 43 HA VAL 43 -1.200 1.068 -10.062 304 HB VAL 43 HB VAL 43 1.041 2.798 -11.129 305 1HG1 VAL 43 1HG1 VAL 43 0.780 1.805 -13.113 306 2HG1 VAL 43 2HG1 VAL 43 -0.222 0.580 -12.300 307 3HG1 VAL 43 3HG1 VAL 43 -0.987 2.002 -13.046 308 1HG2 VAL 43 1HG2 VAL 43 -1.255 3.847 -12.155 309 2HG2 VAL 43 2HG2 VAL 43 -1.810 3.336 -10.543 310 3HG2 VAL 43 3HG2 VAL 43 -0.435 4.455 -10.698 311 H GLN 44 H GLN 44 2.322 1.607 -9.384 312 HA GLN 44 HA GLN 44 3.087 -0.845 -10.463 313 1HB GLN 44 2HB GLN 44 4.566 1.175 -10.017 314 2HB GLN 44 1HB GLN 44 4.532 0.764 -8.314 315 1HG GLN 44 2HG GLN 44 5.884 -1.103 -8.584 316 2HG GLN 44 1HG GLN 44 5.253 -1.469 -10.177 317 1HE2 GLN 44 1HE2 GLN 44 7.642 0.160 -8.332 318 2HE2 GLN 44 2HE2 GLN 44 8.597 0.805 -9.625 319 H LEU 45 H LEU 45 2.547 0.240 -7.038 320 HA LEU 45 HA LEU 45 3.190 -2.038 -5.722 321 1HB LEU 45 2HB LEU 45 2.608 -0.617 -4.140 322 2HB LEU 45 1HB LEU 45 1.630 0.329 -5.245 323 HG LEU 45 HG LEU 45 -0.274 -1.212 -4.870 324 1HD1 LEU 45 1HD1 LEU 45 -0.118 -3.166 -3.815 325 2HD1 LEU 45 2HD1 LEU 45 1.648 -2.967 -3.910 326 3HD1 LEU 45 3HD1 LEU 45 0.771 -2.451 -2.449 327 1HD2 LEU 45 1HD2 LEU 45 -0.207 0.809 -3.589 328 2HD2 LEU 45 2HD2 LEU 45 -0.738 -0.510 -2.518 329 3HD2 LEU 45 3HD2 LEU 45 0.932 0.096 -2.421 330 H LEU 46 H LEU 46 0.243 -1.349 -7.643 331 HA LEU 46 HA LEU 46 -1.178 -3.623 -6.828 332 1HB LEU 46 2HB LEU 46 -1.428 -1.466 -8.737 333 2HB LEU 46 1HB LEU 46 -1.937 -2.984 -9.451 334 HG LEU 46 HG LEU 46 -2.996 -1.862 -6.841 335 1HD1 LEU 46 1HD1 LEU 46 -4.592 -0.743 -7.936 336 2HD1 LEU 46 2HD1 LEU 46 -3.513 -0.871 -9.346 337 3HD1 LEU 46 3HD1 LEU 46 -4.831 -2.046 -9.125 338 1HD2 LEU 46 1HD2 LEU 46 -2.974 -4.463 -7.508 339 2HD2 LEU 46 2HD2 LEU 46 -4.297 -3.697 -6.595 340 3HD2 LEU 46 3HD2 LEU 46 -4.461 -3.960 -8.348 341 H LEU 47 H LEU 47 1.210 -3.013 -9.451 342 HA LEU 47 HA LEU 47 0.921 -5.374 -10.827 343 1HB LEU 47 2HB LEU 47 2.456 -3.193 -11.065 344 2HB LEU 47 1HB LEU 47 3.657 -4.293 -10.420 345 HG LEU 47 HG LEU 47 3.614 -4.145 -12.907 346 1HD1 LEU 47 1HD1 LEU 47 3.164 -6.865 -13.001 347 2HD1 LEU 47 2HD1 LEU 47 4.691 -6.067 -12.557 348 3HD1 LEU 47 3HD1 LEU 47 3.553 -6.580 -11.288 349 1HD2 LEU 47 1HD2 LEU 47 1.091 -5.783 -12.884 350 2HD2 LEU 47 2HD2 LEU 47 1.030 -4.005 -12.922 351 3HD2 LEU 47 3HD2 LEU 47 1.855 -4.895 -14.225 352 H GLU 48 H GLU 48 2.778 -4.667 -7.820 353 HA GLU 48 HA GLU 48 3.753 -7.340 -7.730 354 1HB GLU 48 2HB GLU 48 4.326 -4.826 -6.436 355 2HB GLU 48 1HB GLU 48 4.028 -6.022 -5.190 356 1HG GLU 48 2HG GLU 48 6.361 -6.208 -5.654 357 2HG GLU 48 1HG GLU 48 5.639 -7.578 -6.473 358 H LEU 49 H LEU 49 0.929 -5.568 -6.629 359 HA LEU 49 HA LEU 49 0.282 -7.507 -4.594 360 1HB LEU 49 2HB LEU 49 -0.238 -4.868 -4.888 361 2HB LEU 49 1HB LEU 49 -1.728 -5.545 -5.515 362 HG LEU 49 HG LEU 49 -1.989 -6.839 -3.393 363 1HD1 LEU 49 1HD1 LEU 49 -0.446 -6.925 -1.785 364 2HD1 LEU 49 2HD1 LEU 49 0.679 -6.253 -2.988 365 3HD1 LEU 49 3HD1 LEU 49 -0.153 -5.171 -1.847 366 1HD2 LEU 49 1HD2 LEU 49 -3.316 -5.169 -2.791 367 2HD2 LEU 49 2HD2 LEU 49 -1.923 -4.240 -2.189 368 3HD2 LEU 49 3HD2 LEU 49 -2.430 -4.082 -3.888 369 H GLN 50 H GLN 50 0.191 -7.406 -7.968 370 HA GLN 50 HA GLN 50 -2.140 -9.160 -7.978 371 1HB GLN 50 2HB GLN 50 -2.281 -7.025 -9.348 372 2HB GLN 50 1HB GLN 50 -0.969 -7.629 -10.340 373 1HG GLN 50 2HG GLN 50 -2.809 -9.778 -10.214 374 2HG GLN 50 1HG GLN 50 -3.812 -8.351 -10.389 375 1HE2 GLN 50 1HE2 GLN 50 -4.198 -7.698 -12.356 376 2HE2 GLN 50 2HE2 GLN 50 -3.232 -7.975 -13.767 377 H SER 51 H SER 51 0.974 -9.509 -7.520 378 HA SER 51 HA SER 51 1.199 -11.678 -9.456 379 1HB SER 51 2HB SER 51 3.679 -11.335 -9.381 380 2HB SER 51 1HB SER 51 2.820 -9.960 -10.047 381 HG SER 51 HG SER 51 4.584 -9.713 -8.235 382 H GLN 52 H GLN 52 2.557 -10.428 -6.313 383 HA GLN 52 HA GLN 52 3.087 -13.084 -5.454 384 1HB GLN 52 2HB GLN 52 3.238 -10.398 -4.019 385 2HB GLN 52 1HB GLN 52 3.749 -11.912 -3.300 386 1HG GLN 52 2HG GLN 52 4.859 -11.300 -6.020 387 2HG GLN 52 1HG GLN 52 5.426 -10.285 -4.709 388 1HE2 GLN 52 1HE2 GLN 52 6.971 -10.990 -3.423 389 2HE2 GLN 52 2HE2 GLN 52 7.588 -12.607 -3.336 390 H PHE 53 H PHE 53 0.392 -10.867 -5.350 391 HA PHE 53 HA PHE 53 -0.902 -12.610 -3.371 392 1HB PHE 53 2HB PHE 53 -1.617 -9.712 -4.060 393 2HB PHE 53 1HB PHE 53 -2.079 -10.599 -2.622 394 HD1 PHE 53 1HD PHE 53 0.963 -9.330 -4.366 395 HD2 PHE 53 2HD PHE 53 -0.884 -10.276 -0.664 396 HE1 PHE 53 1HE PHE 53 2.931 -8.369 -3.139 397 HE2 PHE 53 2HE PHE 53 1.084 -9.315 0.563 398 HZ PHE 53 HZ PHE 53 2.968 -8.374 -0.690 399 H GLY 54 H GLY 54 -1.134 -10.776 -6.440 400 1HA GLY 54 2HA GLY 54 -2.445 -11.143 -8.241 401 2HA GLY 54 1HA GLY 54 -3.064 -12.597 -7.482 402 H VAL 55 H VAL 55 -3.140 -9.163 -6.317 403 HA VAL 55 HA VAL 55 -5.909 -9.450 -5.655 404 HB VAL 55 HB VAL 55 -4.004 -8.139 -4.473 405 1HG1 VAL 55 1HG1 VAL 55 -3.908 -5.750 -5.067 406 2HG1 VAL 55 2HG1 VAL 55 -3.324 -6.782 -6.395 407 3HG1 VAL 55 3HG1 VAL 55 -4.949 -6.061 -6.477 408 1HG2 VAL 55 1HG2 VAL 55 -6.861 -7.847 -4.572 409 2HG2 VAL 55 2HG2 VAL 55 -5.756 -7.628 -3.195 410 3HG2 VAL 55 3HG2 VAL 55 -6.119 -6.257 -4.271 411 H ASP 56 H ASP 56 -7.550 -7.775 -6.404 412 HA ASP 56 HA ASP 56 -7.015 -7.104 -9.189 413 1HB ASP 56 2HB ASP 56 -9.271 -8.609 -7.934 414 2HB ASP 56 1HB ASP 56 -9.756 -7.398 -9.105 415 H ALA 57 H ALA 57 -6.426 -5.174 -7.393 416 HA ALA 57 HA ALA 57 -8.688 -3.701 -6.489 417 1HB ALA 57 1HB ALA 57 -7.103 -2.302 -5.505 418 2HB ALA 57 2HB ALA 57 -6.203 -3.834 -5.614 419 3HB ALA 57 3HB ALA 57 -5.920 -2.548 -6.812 420 HA PRO 58 HA PRO 58 -9.329 -1.822 -10.394 421 1HB PRO 58 2HB PRO 58 -11.686 -0.582 -9.783 422 2HB PRO 58 1HB PRO 58 -11.592 -2.240 -10.341 423 1HG PRO 58 2HG PRO 58 -12.099 -1.230 -7.610 424 2HG PRO 58 1HG PRO 58 -12.416 -2.824 -8.268 425 1HD PRO 58 2HD PRO 58 -10.253 -2.082 -6.536 426 2HD PRO 58 1HD PRO 58 -10.506 -3.645 -7.287 427 H VAL 59 H VAL 59 -8.122 -0.202 -11.130 428 HA VAL 59 HA VAL 59 -7.600 1.943 -9.289 429 HB VAL 59 HB VAL 59 -6.744 1.783 -12.168 430 1HG1 VAL 59 1HG1 VAL 59 -4.606 2.665 -10.743 431 2HG1 VAL 59 2HG1 VAL 59 -5.839 3.733 -11.455 432 3HG1 VAL 59 3HG1 VAL 59 -5.940 3.278 -9.737 433 1HG2 VAL 59 1HG2 VAL 59 -5.869 0.072 -9.865 434 2HG2 VAL 59 2HG2 VAL 59 -6.069 -0.341 -11.584 435 3HG2 VAL 59 3HG2 VAL 59 -4.658 0.604 -11.054 436 H SER 60 H SER 60 -10.271 1.217 -11.018 437 HA SER 60 HA SER 60 -10.663 3.586 -12.473 438 1HB SER 60 2HB SER 60 -12.235 1.179 -11.729 439 2HB SER 60 1HB SER 60 -13.206 2.621 -11.948 440 HG SER 60 HG SER 60 -13.073 2.133 -14.033 441 H GLU 61 H GLU 61 -9.737 4.731 -10.287 442 HA GLU 61 HA GLU 61 -10.118 6.192 -8.727 443 1HB GLU 61 2HB GLU 61 -11.682 7.237 -10.305 444 2HB GLU 61 1HB GLU 61 -12.972 6.165 -9.800 445 1HG GLU 61 2HG GLU 61 -12.137 7.264 -7.375 446 2HG GLU 61 1HG GLU 61 -11.929 8.607 -8.482 447 H PHE 62 H PHE 62 -9.628 4.426 -7.188 448 HA PHE 62 HA PHE 62 -11.945 3.229 -5.916 449 1HB PHE 62 2HB PHE 62 -9.996 2.076 -4.637 450 2HB PHE 62 1HB PHE 62 -10.047 1.764 -6.360 451 HD1 PHE 62 1HD PHE 62 -8.636 4.434 -4.148 452 HD2 PHE 62 2HD PHE 62 -7.991 1.756 -7.377 453 HE1 PHE 62 1HE PHE 62 -6.279 5.268 -4.370 454 HE2 PHE 62 2HE PHE 62 -5.634 2.591 -7.599 455 HZ PHE 62 HZ PHE 62 -4.806 4.337 -6.092 456 H ASP 63 H ASP 63 -11.089 2.919 -3.292 457 HA ASP 63 HA ASP 63 -11.560 5.562 -2.337 458 1HB ASP 63 2HB ASP 63 -12.443 3.219 -1.452 459 2HB ASP 63 1HB ASP 63 -10.920 3.169 -0.585 460 H ARG 64 H ARG 64 -9.431 6.498 -3.050 461 HA ARG 64 HA ARG 64 -6.997 5.549 -2.535 462 1HB ARG 64 2HB ARG 64 -6.341 8.060 -2.234 463 2HB ARG 64 1HB ARG 64 -7.123 7.599 -3.732 464 1HG ARG 64 2HG ARG 64 -8.638 9.238 -3.294 465 2HG ARG 64 1HG ARG 64 -9.301 8.161 -2.080 466 1HD ARG 64 2HD ARG 64 -7.275 9.214 -0.610 467 2HD ARG 64 1HD ARG 64 -7.500 10.546 -1.725 468 HE ARG 64 HE ARG 64 -9.348 9.704 0.374 469 1HH1 ARG 64 2HH2 ARG 64 -9.111 11.347 -2.730 470 2HH1 ARG 64 1HH2 ARG 64 -10.557 12.269 -2.496 471 1HH2 ARG 64 2HH1 ARG 64 -11.257 10.922 0.682 472 2HH2 ARG 64 1HH1 ARG 64 -11.787 12.026 -0.542 473 H LYS 65 H LYS 65 -9.373 6.700 -0.207 474 HA LYS 65 HA LYS 65 -7.684 7.421 1.887 475 1HB LYS 65 2HB LYS 65 -9.847 8.109 2.212 476 2HB LYS 65 1HB LYS 65 -10.545 6.629 1.586 477 1HG LYS 65 2HG LYS 65 -10.434 5.543 3.623 478 2HG LYS 65 1HG LYS 65 -8.916 6.299 4.068 479 1HD LYS 65 2HD LYS 65 -11.252 8.156 3.890 480 2HD LYS 65 1HD LYS 65 -11.351 6.960 5.167 481 1HE LYS 65 2HE LYS 65 -8.672 7.946 5.237 482 2HE LYS 65 1HE LYS 65 -9.693 9.355 5.031 483 1HZ LYS 65 1HZ LYS 65 -11.035 8.485 6.896 484 2HZ LYS 65 2HZ LYS 65 -9.909 7.328 7.142 485 3HZ LYS 65 3HZ LYS 65 -9.514 8.902 7.319 486 H GLU 66 H GLU 66 -8.811 4.259 0.673 487 HA GLU 66 HA GLU 66 -7.793 2.907 2.965 488 1HB GLU 66 2HB GLU 66 -9.742 2.004 1.790 489 2HB GLU 66 1HB GLU 66 -8.849 1.908 0.285 490 1HG GLU 66 2HG GLU 66 -7.662 0.022 0.936 491 2HG GLU 66 1HG GLU 66 -7.624 0.489 2.624 492 H TRP 67 H TRP 67 -6.646 3.912 -0.224 493 HA TRP 67 HA TRP 67 -4.275 2.224 0.067 494 1HB TRP 67 2HB TRP 67 -4.978 3.938 -2.305 495 2HB TRP 67 1HB TRP 67 -3.862 2.588 -2.222 496 HD1 TRP 67 HD TRP 67 -7.572 3.341 -2.702 497 HE1 TRP 67 1HE TRP 67 -8.937 1.174 -3.338 498 HE3 TRP 67 3HE TRP 67 -3.801 0.056 -1.782 499 HZ2 TRP 67 2HZ TRP 67 -8.303 -1.608 -3.383 500 HZ3 TRP 67 3HZ TRP 67 -4.257 -2.368 -2.146 501 HH2 TRP 67 HH TRP 67 -6.416 -3.215 -2.918 502 H ASP 68 H ASP 68 -5.195 4.825 1.578 503 HA ASP 68 HA ASP 68 -3.165 6.655 0.715 504 1HB ASP 68 2HB ASP 68 -5.026 7.856 1.433 505 2HB ASP 68 1HB ASP 68 -5.463 6.664 2.641 506 H THR 69 H THR 69 -3.909 4.308 3.318 507 HA THR 69 HA THR 69 -1.239 4.818 4.459 508 HB THR 69 HB THR 69 -2.402 3.969 6.621 509 HG1 THR 69 1HG THR 69 -4.587 3.615 6.358 510 1HG2 THR 69 1HG2 THR 69 -3.070 6.130 7.236 511 2HG2 THR 69 2HG2 THR 69 -2.095 6.524 5.799 512 3HG2 THR 69 3HG2 THR 69 -3.868 6.432 5.673 513 HA PRO 70 HA PRO 70 -0.384 0.670 3.789 514 1HB PRO 70 2HB PRO 70 1.352 0.073 5.814 515 2HB PRO 70 1HB PRO 70 1.828 0.941 4.367 516 1HG PRO 70 2HG PRO 70 1.378 1.989 7.095 517 2HG PRO 70 1HG PRO 70 2.246 2.728 5.764 518 1HD PRO 70 2HD PRO 70 -0.387 3.400 6.680 519 2HD PRO 70 1HD PRO 70 0.434 4.058 5.280 520 H ASN 71 H ASN 71 -1.612 1.507 6.911 521 HA ASN 71 HA ASN 71 -2.059 -1.114 7.737 522 1HB ASN 71 2HB ASN 71 -2.157 0.556 9.441 523 2HB ASN 71 1HB ASN 71 -3.191 1.603 8.490 524 1HD2 ASN 71 1HD2 ASN 71 -4.690 1.801 10.123 525 2HD2 ASN 71 2HD2 ASN 71 -5.791 0.542 10.574 526 H LYS 72 H LYS 72 -4.040 1.388 6.022 527 HA LYS 72 HA LYS 72 -6.395 -0.176 5.944 528 1HB LYS 72 2HB LYS 72 -5.479 2.445 5.021 529 2HB LYS 72 1HB LYS 72 -6.549 1.672 3.869 530 1HG LYS 72 2HG LYS 72 -8.291 1.387 5.541 531 2HG LYS 72 1HG LYS 72 -7.207 1.833 6.842 532 1HD LYS 72 2HD LYS 72 -7.172 3.977 4.916 533 2HD LYS 72 1HD LYS 72 -8.848 3.557 5.203 534 1HE LYS 72 2HE LYS 72 -6.782 4.248 7.347 535 2HE LYS 72 1HE LYS 72 -8.100 5.274 6.820 536 1HZ LYS 72 1HZ LYS 72 -8.746 2.605 7.755 537 2HZ LYS 72 2HZ LYS 72 -8.346 3.732 8.867 538 3HZ LYS 72 3HZ LYS 72 -9.616 3.983 7.871 539 H ILE 73 H ILE 73 -3.420 -0.050 4.058 540 HA ILE 73 HA ILE 73 -4.596 -1.431 1.823 541 HB ILE 73 HB ILE 73 -1.883 -0.384 2.533 542 1HG1 ILE 73 2HG1 ILE 73 -3.792 0.077 0.223 543 2HG1 ILE 73 1HG1 ILE 73 -3.498 1.162 1.566 544 1HG2 ILE 73 1HG2 ILE 73 -0.964 -2.183 1.540 545 2HG2 ILE 73 2HG2 ILE 73 -2.478 -2.648 0.727 546 3HG2 ILE 73 3HG2 ILE 73 -1.458 -1.360 0.041 547 1HD1 ILE 73 1HD1 ILE 73 -0.921 0.620 0.563 548 2HD1 ILE 73 2HD1 ILE 73 -1.941 0.789 -0.885 549 3HD1 ILE 73 3HD1 ILE 73 -1.865 2.108 0.308 550 H ILE 74 H ILE 74 -2.238 -2.160 4.479 551 HA ILE 74 HA ILE 74 -1.777 -4.790 3.817 552 HB ILE 74 HB ILE 74 -1.584 -3.114 6.248 553 1HG1 ILE 74 2HG1 ILE 74 0.380 -5.039 4.977 554 2HG1 ILE 74 1HG1 ILE 74 0.192 -3.371 4.474 555 1HG2 ILE 74 1HG2 ILE 74 -2.539 -4.924 7.379 556 2HG2 ILE 74 2HG2 ILE 74 -1.739 -6.124 6.336 557 3HG2 ILE 74 3HG2 ILE 74 -0.786 -5.197 7.520 558 1HD1 ILE 74 1HD1 ILE 74 1.833 -4.304 6.553 559 2HD1 ILE 74 2HD1 ILE 74 1.397 -2.608 6.239 560 3HD1 ILE 74 3HD1 ILE 74 0.443 -3.573 7.391 561 H ALA 75 H ALA 75 -4.680 -3.253 5.002 562 HA ALA 75 HA ALA 75 -5.783 -5.732 6.004 563 1HB ALA 75 1HB ALA 75 -7.367 -3.212 5.551 564 2HB ALA 75 2HB ALA 75 -7.476 -4.401 6.873 565 3HB ALA 75 3HB ALA 75 -6.129 -3.239 6.830 566 H LYS 76 H LYS 76 -5.614 -3.848 3.034 567 HA LYS 76 HA LYS 76 -7.957 -4.962 1.869 568 1HB LYS 76 2HB LYS 76 -5.728 -3.179 1.027 569 2HB LYS 76 1HB LYS 76 -6.547 -4.061 -0.247 570 1HG LYS 76 2HG LYS 76 -7.938 -2.332 1.856 571 2HG LYS 76 1HG LYS 76 -7.604 -1.834 0.210 572 1HD LYS 76 2HD LYS 76 -8.900 -4.262 -0.187 573 2HD LYS 76 1HD LYS 76 -9.714 -3.653 1.239 574 1HE LYS 76 2HE LYS 76 -10.914 -2.220 -0.044 575 2HE LYS 76 1HE LYS 76 -9.435 -1.434 -0.562 576 1HZ LYS 76 1HZ LYS 76 -10.669 -3.794 -1.804 577 2HZ LYS 76 2HZ LYS 76 -10.580 -2.291 -2.438 578 3HZ LYS 76 3HZ LYS 76 -9.222 -3.178 -2.249 579 H VAL 77 H VAL 77 -4.448 -5.736 1.896 580 HA VAL 77 HA VAL 77 -4.602 -7.736 -0.073 581 HB VAL 77 HB VAL 77 -2.654 -7.412 2.218 582 1HG1 VAL 77 1HG1 VAL 77 -2.848 -9.547 0.552 583 2HG1 VAL 77 2HG1 VAL 77 -1.773 -8.494 -0.398 584 3HG1 VAL 77 3HG1 VAL 77 -1.320 -8.969 1.256 585 1HG2 VAL 77 1HG2 VAL 77 -1.411 -6.405 -0.011 586 2HG2 VAL 77 2HG2 VAL 77 -3.086 -5.852 -0.244 587 3HG2 VAL 77 3HG2 VAL 77 -2.209 -5.431 1.246 588 H GLU 78 H GLU 78 -4.925 -7.745 3.520 589 HA GLU 78 HA GLU 78 -5.101 -10.534 3.684 590 1HB GLU 78 2HB GLU 78 -5.771 -8.232 5.530 591 2HB GLU 78 1HB GLU 78 -6.243 -9.860 5.976 592 1HG GLU 78 2HG GLU 78 -3.397 -9.295 5.084 593 2HG GLU 78 1HG GLU 78 -3.885 -8.946 6.730 594 H GLN 79 H GLN 79 -7.443 -7.912 3.092 595 HA GLN 79 HA GLN 79 -9.633 -9.764 3.373 596 1HB GLN 79 2HB GLN 79 -9.412 -6.776 2.921 597 2HB GLN 79 1HB GLN 79 -10.937 -7.597 2.652 598 1HG GLN 79 2HG GLN 79 -11.318 -7.882 4.890 599 2HG GLN 79 1HG GLN 79 -9.669 -8.388 5.202 600 1HE2 GLN 79 1HE2 GLN 79 -10.170 -7.057 7.146 601 2HE2 GLN 79 2HE2 GLN 79 -9.780 -5.370 7.111 602 H ALA 80 H ALA 80 -7.495 -10.004 1.223 603 HA ALA 80 HA ALA 80 -9.309 -9.824 -1.084 604 1HB ALA 80 1HB ALA 80 -7.538 -8.192 -1.339 605 2HB ALA 80 2HB ALA 80 -6.302 -9.398 -0.910 606 3HB ALA 80 3HB ALA 80 -7.202 -9.551 -2.439 607 H GLN 81 H GLN 81 -6.462 -11.533 0.377 608 HA GLN 81 HA GLN 81 -6.238 -13.620 -1.242 609 1HB GLN 81 2HB GLN 81 -6.257 -13.791 1.804 610 2HB GLN 81 1HB GLN 81 -5.482 -14.934 0.726 611 1HG GLN 81 2HG GLN 81 -4.748 -12.013 1.175 612 2HG GLN 81 1HG GLN 81 -3.757 -13.426 1.483 613 1HE2 GLN 81 1HE2 GLN 81 -4.996 -11.214 -0.872 614 2HE2 GLN 81 2HE2 GLN 81 -4.042 -11.712 -2.228 Start of MODEL 17 1 H ALA 2 H ALA 2 -3.063 -16.697 7.576 2 HA ALA 2 HA ALA 2 -2.012 -15.824 5.256 3 1HB ALA 2 1HB ALA 2 -2.547 -13.839 6.173 4 2HB ALA 2 2HB ALA 2 -2.928 -14.718 7.673 5 3HB ALA 2 3HB ALA 2 -1.308 -14.020 7.437 6 H ASP 3 H ASP 3 0.022 -15.138 4.461 7 HA ASP 3 HA ASP 3 2.213 -16.397 5.869 8 1HB ASP 3 2HB ASP 3 1.529 -15.812 3.058 9 2HB ASP 3 1HB ASP 3 3.178 -15.357 3.439 10 H GLU 4 H GLU 4 3.830 -15.124 6.839 11 HA GLU 4 HA GLU 4 3.385 -12.393 7.117 12 1HB GLU 4 2HB GLU 4 5.184 -14.403 8.168 13 2HB GLU 4 1HB GLU 4 6.116 -12.981 7.746 14 1HG GLU 4 2HG GLU 4 4.689 -11.548 9.123 15 2HG GLU 4 1HG GLU 4 3.553 -12.854 9.398 16 H ALA 5 H ALA 5 4.865 -14.244 4.597 17 HA ALA 5 HA ALA 5 6.770 -12.316 3.758 18 1HB ALA 5 1HB ALA 5 6.458 -14.919 3.273 19 2HB ALA 5 2HB ALA 5 5.534 -14.308 1.880 20 3HB ALA 5 3HB ALA 5 7.240 -13.846 2.088 21 H ILE 6 H ILE 6 3.363 -12.353 3.803 22 HA ILE 6 HA ILE 6 3.125 -10.812 1.348 23 HB ILE 6 HB ILE 6 1.358 -12.410 3.051 24 1HG1 ILE 6 2HG1 ILE 6 1.465 -11.640 0.127 25 2HG1 ILE 6 1HG1 ILE 6 1.913 -13.171 0.854 26 1HG2 ILE 6 1HG2 ILE 6 -0.682 -11.136 2.449 27 2HG2 ILE 6 2HG2 ILE 6 0.374 -10.279 3.597 28 3HG2 ILE 6 3HG2 ILE 6 0.352 -9.803 1.883 29 1HD1 ILE 6 1HD1 ILE 6 -0.505 -13.408 1.644 30 2HD1 ILE 6 2HD1 ILE 6 -0.886 -11.981 0.652 31 3HD1 ILE 6 3HD1 ILE 6 -0.278 -13.466 -0.120 32 H LYS 7 H LYS 7 2.438 -10.507 4.899 33 HA LYS 7 HA LYS 7 1.710 -7.819 4.779 34 1HB LYS 7 2HB LYS 7 1.608 -9.727 6.668 35 2HB LYS 7 1HB LYS 7 3.038 -8.883 7.228 36 1HG LYS 7 2HG LYS 7 1.354 -6.760 6.647 37 2HG LYS 7 1HG LYS 7 0.204 -7.974 7.174 38 1HD LYS 7 2HD LYS 7 2.711 -7.281 8.769 39 2HD LYS 7 1HD LYS 7 1.180 -6.466 9.016 40 1HE LYS 7 2HE LYS 7 0.127 -8.393 9.879 41 2HE LYS 7 1HE LYS 7 1.221 -9.489 9.059 42 1HZ LYS 7 1HZ LYS 7 2.421 -9.519 10.885 43 2HZ LYS 7 2HZ LYS 7 2.735 -7.922 10.755 44 3HZ LYS 7 3HZ LYS 7 1.448 -8.433 11.620 45 H ASN 8 H ASN 8 4.890 -9.457 5.107 46 HA ASN 8 HA ASN 8 6.292 -7.116 5.681 47 1HB ASN 8 2HB ASN 8 6.891 -9.820 5.596 48 2HB ASN 8 1HB ASN 8 7.714 -9.263 4.153 49 1HD2 ASN 8 1HD2 ASN 8 8.896 -10.293 6.528 50 2HD2 ASN 8 2HD2 ASN 8 9.912 -9.073 7.220 51 H GLY 9 H GLY 9 6.063 -9.149 2.654 52 1HA GLY 9 2HA GLY 9 7.452 -7.616 0.891 53 2HA GLY 9 1HA GLY 9 6.041 -8.569 0.475 54 H VAL 10 H VAL 10 3.913 -7.301 1.684 55 HA VAL 10 HA VAL 10 3.337 -5.240 -0.027 56 HB VAL 10 HB VAL 10 2.272 -6.157 2.618 57 1HG1 VAL 10 1HG1 VAL 10 0.315 -4.482 1.991 58 2HG1 VAL 10 2HG1 VAL 10 1.702 -3.958 2.976 59 3HG1 VAL 10 3HG1 VAL 10 1.646 -3.572 1.239 60 1HG2 VAL 10 1HG2 VAL 10 1.753 -6.655 -0.182 61 2HG2 VAL 10 2HG2 VAL 10 1.116 -7.491 1.254 62 3HG2 VAL 10 3HG2 VAL 10 0.283 -6.052 0.621 63 H LEU 11 H LEU 11 4.470 -5.035 3.418 64 HA LEU 11 HA LEU 11 4.596 -2.236 3.431 65 1HB LEU 11 2HB LEU 11 4.726 -4.177 5.290 66 2HB LEU 11 1HB LEU 11 6.432 -3.799 5.157 67 HG LEU 11 HG LEU 11 4.174 -2.014 6.045 68 1HD1 LEU 11 1HD1 LEU 11 5.578 -1.684 8.010 69 2HD1 LEU 11 2HD1 LEU 11 5.273 -3.416 7.730 70 3HD1 LEU 11 3HD1 LEU 11 6.847 -2.706 7.295 71 1HD2 LEU 11 1HD2 LEU 11 6.947 -1.105 5.226 72 2HD2 LEU 11 2HD2 LEU 11 5.415 -0.707 4.410 73 3HD2 LEU 11 3HD2 LEU 11 5.727 -0.110 6.057 74 H ASP 12 H ASP 12 7.139 -4.770 2.900 75 HA ASP 12 HA ASP 12 9.260 -3.137 2.607 76 1HB ASP 12 2HB ASP 12 8.826 -5.798 2.294 77 2HB ASP 12 1HB ASP 12 8.950 -5.360 0.602 78 H ILE 13 H ILE 13 7.079 -4.396 -0.039 79 HA ILE 13 HA ILE 13 8.194 -2.918 -2.099 80 HB ILE 13 HB ILE 13 5.745 -4.465 -1.604 81 1HG1 ILE 13 2HG1 ILE 13 7.081 -4.406 -4.249 82 2HG1 ILE 13 1HG1 ILE 13 8.097 -4.889 -2.905 83 1HG2 ILE 13 1HG2 ILE 13 4.684 -3.665 -3.731 84 2HG2 ILE 13 2HG2 ILE 13 4.613 -2.512 -2.378 85 3HG2 ILE 13 3HG2 ILE 13 5.792 -2.272 -3.690 86 1HD1 ILE 13 1HD1 ILE 13 5.332 -6.091 -3.161 87 2HD1 ILE 13 2HD1 ILE 13 6.659 -6.705 -4.175 88 3HD1 ILE 13 3HD1 ILE 13 6.789 -6.776 -2.402 89 H LEU 14 H LEU 14 6.293 -1.915 0.631 90 HA LEU 14 HA LEU 14 5.291 0.449 -0.678 91 1HB LEU 14 2HB LEU 14 4.664 -1.076 1.627 92 2HB LEU 14 1HB LEU 14 5.102 0.527 2.181 93 HG LEU 14 HG LEU 14 3.443 1.451 0.494 94 1HD1 LEU 14 1HD1 LEU 14 1.671 -0.710 0.297 95 2HD1 LEU 14 2HD1 LEU 14 2.595 0.060 -1.015 96 3HD1 LEU 14 3HD1 LEU 14 3.262 -1.358 -0.171 97 1HD2 LEU 14 1HD2 LEU 14 1.500 1.011 1.938 98 2HD2 LEU 14 2HD2 LEU 14 2.403 -0.294 2.743 99 3HD2 LEU 14 3HD2 LEU 14 2.966 1.390 2.875 100 H ALA 15 H ALA 15 7.467 -0.164 2.176 101 HA ALA 15 HA ALA 15 8.426 2.394 2.396 102 1HB ALA 15 1HB ALA 15 10.122 1.439 3.756 103 2HB ALA 15 2HB ALA 15 8.734 0.335 3.909 104 3HB ALA 15 3HB ALA 15 10.100 -0.093 2.851 105 H ASP 16 H ASP 16 9.543 -0.308 0.280 106 HA ASP 16 HA ASP 16 11.809 0.942 -0.648 107 1HB ASP 16 2HB ASP 16 10.038 -1.288 -1.480 108 2HB ASP 16 1HB ASP 16 10.871 -0.535 -2.826 109 H LEU 17 H LEU 17 8.374 0.940 -1.800 110 HA LEU 17 HA LEU 17 8.750 2.351 -4.154 111 1HB LEU 17 2HB LEU 17 6.581 1.445 -2.500 112 2HB LEU 17 1HB LEU 17 6.252 3.075 -3.055 113 HG LEU 17 HG LEU 17 7.225 1.523 -5.271 114 1HD1 LEU 17 1HD1 LEU 17 5.194 0.173 -3.527 115 2HD1 LEU 17 2HD1 LEU 17 5.085 0.017 -5.296 116 3HD1 LEU 17 3HD1 LEU 17 6.553 -0.518 -4.445 117 1HD2 LEU 17 1HD2 LEU 17 4.744 2.034 -5.990 118 2HD2 LEU 17 2HD2 LEU 17 4.772 3.078 -4.549 119 3HD2 LEU 17 3HD2 LEU 17 5.950 3.337 -5.858 120 H THR 18 H THR 18 7.756 3.612 -0.890 121 HA THR 18 HA THR 18 7.928 6.308 -1.648 122 HB THR 18 HB THR 18 7.638 6.686 0.743 123 HG1 THR 18 1HG THR 18 8.424 3.867 0.946 124 1HG2 THR 18 1HG2 THR 18 6.095 4.657 -0.612 125 2HG2 THR 18 2HG2 THR 18 6.376 4.103 1.056 126 3HG2 THR 18 3HG2 THR 18 5.592 5.674 0.759 127 H GLY 19 H GLY 19 10.315 4.137 -0.014 128 1HA GLY 19 2HA GLY 19 12.610 4.311 -0.648 129 2HA GLY 19 1HA GLY 19 12.403 6.034 -0.882 130 H SER 20 H SER 20 10.611 4.967 1.848 131 HA SER 20 HA SER 20 12.872 5.467 3.603 132 1HB SER 20 2HB SER 20 10.591 7.209 3.188 133 2HB SER 20 1HB SER 20 10.546 6.597 4.830 134 HG SER 20 HG SER 20 11.954 8.628 4.085 135 H ASP 21 H ASP 21 12.516 4.612 5.841 136 HA ASP 21 HA ASP 21 10.849 2.264 5.680 137 1HB ASP 21 2HB ASP 21 12.141 2.245 8.165 138 2HB ASP 21 1HB ASP 21 12.670 1.401 6.724 139 H ASP 22 H ASP 22 10.226 5.363 6.349 140 HA ASP 22 HA ASP 22 9.444 5.532 8.962 141 1HB ASP 22 2HB ASP 22 9.467 7.257 6.919 142 2HB ASP 22 1HB ASP 22 7.784 6.795 6.770 143 H VAL 23 H VAL 23 7.812 4.210 6.038 144 HA VAL 23 HA VAL 23 5.328 3.782 7.415 145 HB VAL 23 HB VAL 23 5.208 4.324 5.123 146 1HG1 VAL 23 1HG1 VAL 23 6.973 3.912 3.815 147 2HG1 VAL 23 2HG1 VAL 23 7.571 2.640 4.909 148 3HG1 VAL 23 3HG1 VAL 23 6.370 2.245 3.657 149 1HG2 VAL 23 1HG2 VAL 23 4.719 1.519 4.533 150 2HG2 VAL 23 2HG2 VAL 23 4.109 1.962 6.146 151 3HG2 VAL 23 3HG2 VAL 23 3.567 2.865 4.710 152 H LYS 24 H LYS 24 8.363 2.080 6.851 153 HA LYS 24 HA LYS 24 7.460 -0.536 7.137 154 1HB LYS 24 2HB LYS 24 9.701 0.171 6.318 155 2HB LYS 24 1HB LYS 24 10.135 0.639 7.949 156 1HG LYS 24 2HG LYS 24 9.021 -2.120 7.683 157 2HG LYS 24 1HG LYS 24 10.565 -1.866 6.894 158 1HD LYS 24 2HD LYS 24 11.568 -1.054 8.989 159 2HD LYS 24 1HD LYS 24 10.014 -1.099 9.798 160 1HE LYS 24 2HE LYS 24 9.975 -3.641 9.197 161 2HE LYS 24 1HE LYS 24 11.678 -3.455 8.825 162 1HZ LYS 24 1HZ LYS 24 10.371 -3.438 11.366 163 2HZ LYS 24 2HZ LYS 24 11.912 -3.828 10.989 164 3HZ LYS 24 3HZ LYS 24 11.493 -2.263 11.199 165 H LYS 25 H LYS 25 7.962 2.083 9.473 166 HA LYS 25 HA LYS 25 7.475 0.180 11.645 167 1HB LYS 25 2HB LYS 25 8.375 1.851 13.126 168 2HB LYS 25 1HB LYS 25 9.499 1.593 11.807 169 1HG LYS 25 2HG LYS 25 9.426 3.937 11.910 170 2HG LYS 25 1HG LYS 25 8.254 3.605 10.650 171 1HD LYS 25 2HD LYS 25 6.686 4.702 11.863 172 2HD LYS 25 1HD LYS 25 6.792 3.451 13.086 173 1HE LYS 25 2HE LYS 25 8.644 4.671 14.210 174 2HE LYS 25 1HE LYS 25 8.619 5.899 12.959 175 1HZ LYS 25 1HZ LYS 25 6.086 5.891 13.717 176 2HZ LYS 25 2HZ LYS 25 6.796 5.490 15.133 177 3HZ LYS 25 3HZ LYS 25 7.216 6.872 14.370 178 H ASN 26 H ASN 26 6.378 3.321 10.227 179 HA ASN 26 HA ASN 26 4.228 3.540 12.010 180 1HB ASN 26 2HB ASN 26 5.366 5.371 10.521 181 2HB ASN 26 1HB ASN 26 4.357 4.774 9.219 182 1HD2 ASN 26 1HD2 ASN 26 4.587 7.130 11.373 183 2HD2 ASN 26 2HD2 ASN 26 2.928 7.494 11.715 184 H LEU 27 H LEU 27 1.986 2.981 11.657 185 HA LEU 27 HA LEU 27 1.493 1.378 9.245 186 1HB LEU 27 2HB LEU 27 0.565 0.873 12.074 187 2HB LEU 27 1HB LEU 27 -0.050 0.029 10.667 188 HG LEU 27 HG LEU 27 2.889 -0.030 10.918 189 1HD1 LEU 27 1HD1 LEU 27 2.465 -2.000 12.670 190 2HD1 LEU 27 2HD1 LEU 27 2.821 -0.328 13.168 191 3HD1 LEU 27 3HD1 LEU 27 1.141 -0.915 13.158 192 1HD2 LEU 27 1HD2 LEU 27 1.069 -1.369 9.439 193 2HD2 LEU 27 2HD2 LEU 27 2.687 -1.996 9.833 194 3HD2 LEU 27 3HD2 LEU 27 1.277 -2.509 10.789 195 H ASP 28 H ASP 28 1.154 4.268 9.605 196 HA ASP 28 HA ASP 28 -1.496 4.402 8.702 197 1HB ASP 28 2HB ASP 28 -1.178 4.627 11.514 198 2HB ASP 28 1HB ASP 28 -1.363 6.277 10.954 199 H LEU 29 H LEU 29 1.279 5.094 7.920 200 HA LEU 29 HA LEU 29 1.436 7.970 8.192 201 1HB LEU 29 2HB LEU 29 3.354 6.214 8.301 202 2HB LEU 29 1HB LEU 29 3.276 6.264 6.550 203 HG LEU 29 HG LEU 29 3.500 8.853 6.863 204 1HD1 LEU 29 1HD1 LEU 29 3.388 8.235 9.510 205 2HD1 LEU 29 2HD1 LEU 29 5.148 8.306 9.247 206 3HD1 LEU 29 3HD1 LEU 29 4.129 9.709 8.841 207 1HD2 LEU 29 1HD2 LEU 29 5.825 8.699 6.517 208 2HD2 LEU 29 2HD2 LEU 29 5.948 7.184 7.444 209 3HD2 LEU 29 3HD2 LEU 29 5.142 7.194 5.856 210 H ASN 30 H ASN 30 -0.245 8.895 7.033 211 HA ASN 30 HA ASN 30 -1.419 8.070 4.817 212 1HB ASN 30 2HB ASN 30 -0.520 10.977 5.113 213 2HB ASN 30 1HB ASN 30 -1.988 10.397 4.350 214 1HD2 ASN 30 1HD2 ASN 30 -3.059 8.639 6.008 215 2HD2 ASN 30 2HD2 ASN 30 -3.451 9.321 7.552 216 H LEU 31 H LEU 31 -0.154 7.029 3.193 217 HA LEU 31 HA LEU 31 2.338 7.859 2.334 218 1HB LEU 31 2HB LEU 31 0.237 6.388 0.740 219 2HB LEU 31 1HB LEU 31 1.962 6.405 0.434 220 HG LEU 31 HG LEU 31 0.839 5.365 3.035 221 1HD1 LEU 31 1HD1 LEU 31 0.606 3.190 2.185 222 2HD1 LEU 31 2HD1 LEU 31 -0.189 4.237 0.984 223 3HD1 LEU 31 3HD1 LEU 31 1.441 3.596 0.666 224 1HD2 LEU 31 1HD2 LEU 31 2.940 4.834 3.544 225 2HD2 LEU 31 2HD2 LEU 31 3.226 4.098 1.949 226 3HD2 LEU 31 3HD2 LEU 31 3.432 5.852 2.169 227 H PHE 32 H PHE 32 -0.796 9.272 1.829 228 HA PHE 32 HA PHE 32 0.064 10.652 -0.571 229 1HB PHE 32 2HB PHE 32 -2.445 10.367 1.146 230 2HB PHE 32 1HB PHE 32 -2.357 11.692 0.001 231 HD1 PHE 32 1HD PHE 32 -1.375 8.086 -0.170 232 HD2 PHE 32 2HD PHE 32 -3.650 11.250 -1.847 233 HE1 PHE 32 1HE PHE 32 -2.156 6.555 -1.999 234 HE2 PHE 32 2HE PHE 32 -4.431 9.720 -3.677 235 HZ PHE 32 HZ PHE 32 -3.674 7.390 -3.732 236 H GLU 33 H GLU 33 -0.954 11.393 2.832 237 HA GLU 33 HA GLU 33 -0.498 14.138 2.537 238 1HB GLU 33 2HB GLU 33 -1.746 12.559 4.400 239 2HB GLU 33 1HB GLU 33 -0.272 12.949 5.264 240 1HG GLU 33 2HG GLU 33 -0.847 15.431 4.347 241 2HG GLU 33 1HG GLU 33 -2.475 14.779 4.337 242 H THR 34 H THR 34 1.621 11.435 2.836 243 HA THR 34 HA THR 34 3.740 12.973 4.106 244 HB THR 34 HB THR 34 4.924 10.733 3.905 245 HG1 THR 34 1HG THR 34 3.866 9.213 2.650 246 1HG2 THR 34 1HG2 THR 34 2.275 11.103 5.269 247 2HG2 THR 34 2HG2 THR 34 2.822 9.421 5.072 248 3HG2 THR 34 3HG2 THR 34 3.835 10.588 5.954 249 H GLY 35 H GLY 35 2.513 12.272 0.932 250 1HA GLY 35 2HA GLY 35 3.219 13.271 -1.006 251 2HA GLY 35 1HA GLY 35 4.700 13.788 -0.224 252 H LEU 36 H LEU 36 4.537 10.650 0.745 253 HA LEU 36 HA LEU 36 6.588 9.801 -0.933 254 1HB LEU 36 2HB LEU 36 4.713 8.357 0.929 255 2HB LEU 36 1HB LEU 36 5.971 7.524 0.041 256 HG LEU 36 HG LEU 36 6.395 9.759 2.045 257 1HD1 LEU 36 1HD1 LEU 36 5.872 7.050 2.489 258 2HD1 LEU 36 2HD1 LEU 36 7.634 7.215 2.672 259 3HD1 LEU 36 3HD1 LEU 36 6.540 8.226 3.646 260 1HD2 LEU 36 1HD2 LEU 36 8.815 8.419 1.554 261 2HD2 LEU 36 2HD2 LEU 36 8.107 8.744 -0.047 262 3HD2 LEU 36 3HD2 LEU 36 8.375 10.083 1.096 263 H LEU 37 H LEU 37 3.033 9.121 -0.973 264 HA LEU 37 HA LEU 37 3.429 8.086 -3.694 265 1HB LEU 37 2HB LEU 37 2.367 6.782 -1.520 266 2HB LEU 37 1HB LEU 37 0.933 7.395 -2.318 267 HG LEU 37 HG LEU 37 1.667 5.057 -2.946 268 1HD1 LEU 37 1HD1 LEU 37 0.189 5.572 -4.531 269 2HD1 LEU 37 2HD1 LEU 37 0.792 7.241 -4.673 270 3HD1 LEU 37 3HD1 LEU 37 1.589 5.927 -5.572 271 1HD2 LEU 37 1HD2 LEU 37 4.153 6.119 -3.212 272 2HD2 LEU 37 2HD2 LEU 37 3.619 4.594 -3.957 273 3HD2 LEU 37 3HD2 LEU 37 3.611 6.099 -4.907 274 H ASP 38 H ASP 38 2.069 8.849 -5.353 275 HA ASP 38 HA ASP 38 0.590 11.232 -4.562 276 1HB ASP 38 2HB ASP 38 2.632 10.912 -6.462 277 2HB ASP 38 1HB ASP 38 1.178 10.898 -7.440 278 H SER 39 H SER 39 0.761 8.565 -7.047 279 HA SER 39 HA SER 39 -1.799 7.685 -6.639 280 1HB SER 39 2HB SER 39 -2.825 9.612 -7.511 281 2HB SER 39 1HB SER 39 -1.561 9.883 -8.694 282 HG SER 39 HG SER 39 -3.879 8.762 -9.178 283 H MET 40 H MET 40 0.371 8.524 -9.444 284 HA MET 40 HA MET 40 -0.078 6.267 -10.897 285 1HB MET 40 2HB MET 40 2.348 8.088 -10.543 286 2HB MET 40 1HB MET 40 2.400 6.759 -11.685 287 1HG MET 40 2HG MET 40 0.266 8.949 -11.703 288 2HG MET 40 1HG MET 40 1.693 8.958 -12.721 289 1HE MET 40 1HE MET 40 1.460 5.528 -14.374 290 2HE MET 40 2HE MET 40 1.611 7.064 -15.259 291 3HE MET 40 3HE MET 40 2.475 6.835 -13.719 292 H GLY 41 H GLY 41 2.160 6.794 -8.138 293 1HA GLY 41 2HA GLY 41 3.712 4.504 -8.332 294 2HA GLY 41 1HA GLY 41 3.306 5.351 -6.853 295 H THR 42 H THR 42 0.446 5.009 -6.854 296 HA THR 42 HA THR 42 0.236 2.514 -5.634 297 HB THR 42 HB THR 42 -1.264 4.851 -5.862 298 HG1 THR 42 1HG THR 42 -2.352 3.709 -4.227 299 1HG2 THR 42 1HG2 THR 42 -3.513 4.090 -6.586 300 2HG2 THR 42 2HG2 THR 42 -2.377 3.988 -7.953 301 3HG2 THR 42 3HG2 THR 42 -2.839 2.515 -7.067 302 H VAL 43 H VAL 43 -0.238 3.515 -9.024 303 HA VAL 43 HA VAL 43 -1.624 1.265 -9.879 304 HB VAL 43 HB VAL 43 0.372 3.007 -11.340 305 1HG1 VAL 43 1HG1 VAL 43 -1.628 2.122 -13.105 306 2HG1 VAL 43 2HG1 VAL 43 0.081 1.624 -13.070 307 3HG1 VAL 43 3HG1 VAL 43 -1.140 0.680 -12.181 308 1HG2 VAL 43 1HG2 VAL 43 -1.734 4.023 -10.148 309 2HG2 VAL 43 2HG2 VAL 43 -1.327 4.507 -11.811 310 3HG2 VAL 43 3HG2 VAL 43 -2.613 3.310 -11.522 311 H GLN 44 H GLN 44 1.647 1.655 -8.745 312 HA GLN 44 HA GLN 44 2.625 -0.605 -10.183 313 1HB GLN 44 2HB GLN 44 4.106 1.292 -9.586 314 2HB GLN 44 1HB GLN 44 3.833 0.993 -7.881 315 1HG GLN 44 2HG GLN 44 5.364 -0.692 -7.828 316 2HG GLN 44 1HG GLN 44 4.683 -1.460 -9.249 317 1HE2 GLN 44 1HE2 GLN 44 5.934 -1.576 -10.939 318 2HE2 GLN 44 2HE2 GLN 44 7.243 -0.523 -11.357 319 H LEU 45 H LEU 45 2.340 0.126 -6.623 320 HA LEU 45 HA LEU 45 2.744 -2.341 -5.636 321 1HB LEU 45 2HB LEU 45 0.767 -1.474 -3.996 322 2HB LEU 45 1HB LEU 45 2.452 -1.000 -3.899 323 HG LEU 45 HG LEU 45 0.712 0.620 -5.693 324 1HD1 LEU 45 1HD1 LEU 45 -0.882 0.848 -4.125 325 2HD1 LEU 45 2HD1 LEU 45 0.163 0.242 -2.818 326 3HD1 LEU 45 3HD1 LEU 45 0.295 1.936 -3.351 327 1HD2 LEU 45 1HD2 LEU 45 2.183 2.332 -5.221 328 2HD2 LEU 45 2HD2 LEU 45 2.620 1.669 -3.627 329 3HD2 LEU 45 3HD2 LEU 45 3.242 0.906 -5.110 330 H LEU 46 H LEU 46 -0.345 -1.068 -7.010 331 HA LEU 46 HA LEU 46 -1.956 -3.209 -6.430 332 1HB LEU 46 2HB LEU 46 -1.994 -0.899 -8.110 333 2HB LEU 46 1HB LEU 46 -2.597 -2.261 -9.033 334 HG LEU 46 HG LEU 46 -3.660 -1.348 -6.344 335 1HD1 LEU 46 1HD1 LEU 46 -5.273 -1.226 -8.854 336 2HD1 LEU 46 2HD1 LEU 46 -5.336 -0.210 -7.393 337 3HD1 LEU 46 3HD1 LEU 46 -4.033 0.022 -8.583 338 1HD2 LEU 46 1HD2 LEU 46 -5.344 -2.998 -6.519 339 2HD2 LEU 46 2HD2 LEU 46 -4.889 -3.400 -8.193 340 3HD2 LEU 46 3HD2 LEU 46 -3.804 -3.827 -6.849 341 H LEU 47 H LEU 47 0.332 -2.759 -9.189 342 HA LEU 47 HA LEU 47 -0.343 -5.218 -10.401 343 1HB LEU 47 2HB LEU 47 1.030 -2.979 -11.123 344 2HB LEU 47 1HB LEU 47 2.347 -4.106 -10.859 345 HG LEU 47 HG LEU 47 1.619 -4.032 -13.204 346 1HD1 LEU 47 1HD1 LEU 47 1.252 -6.522 -13.495 347 2HD1 LEU 47 2HD1 LEU 47 2.684 -6.040 -12.552 348 3HD1 LEU 47 3HD1 LEU 47 1.228 -6.635 -11.719 349 1HD2 LEU 47 1HD2 LEU 47 -0.503 -4.099 -13.874 350 2HD2 LEU 47 2HD2 LEU 47 -0.847 -5.547 -12.898 351 3HD2 LEU 47 3HD2 LEU 47 -0.955 -3.931 -12.160 352 H GLU 48 H GLU 48 1.615 -4.298 -7.646 353 HA GLU 48 HA GLU 48 3.087 -6.768 -7.755 354 1HB GLU 48 2HB GLU 48 3.769 -4.290 -6.853 355 2HB GLU 48 1HB GLU 48 3.227 -4.998 -5.345 356 1HG GLU 48 2HG GLU 48 5.545 -5.535 -5.440 357 2HG GLU 48 1HG GLU 48 4.742 -7.021 -5.909 358 H LEU 49 H LEU 49 0.151 -5.458 -6.398 359 HA LEU 49 HA LEU 49 0.055 -7.464 -4.302 360 1HB LEU 49 2HB LEU 49 -1.649 -5.106 -5.065 361 2HB LEU 49 1HB LEU 49 -2.221 -6.316 -3.933 362 HG LEU 49 HG LEU 49 0.065 -4.380 -3.628 363 1HD1 LEU 49 1HD1 LEU 49 -2.138 -3.618 -2.933 364 2HD1 LEU 49 2HD1 LEU 49 -2.329 -5.052 -1.895 365 3HD1 LEU 49 3HD1 LEU 49 -1.078 -3.842 -1.520 366 1HD2 LEU 49 1HD2 LEU 49 0.433 -5.654 -1.387 367 2HD2 LEU 49 2HD2 LEU 49 -0.287 -7.030 -2.258 368 3HD2 LEU 49 3HD2 LEU 49 1.190 -6.256 -2.882 369 H GLN 50 H GLN 50 -0.784 -7.052 -7.633 370 HA GLN 50 HA GLN 50 -2.784 -9.150 -7.395 371 1HB GLN 50 2HB GLN 50 -3.334 -6.970 -8.604 372 2HB GLN 50 1HB GLN 50 -2.167 -7.425 -9.829 373 1HG GLN 50 2HG GLN 50 -3.836 -9.715 -9.416 374 2HG GLN 50 1HG GLN 50 -4.910 -8.333 -9.504 375 1HE2 GLN 50 1HE2 GLN 50 -5.692 -9.187 -11.471 376 2HE2 GLN 50 2HE2 GLN 50 -4.844 -8.966 -12.966 377 H SER 51 H SER 51 0.189 -9.520 -7.159 378 HA SER 51 HA SER 51 0.397 -11.441 -9.326 379 1HB SER 51 2HB SER 51 2.023 -9.074 -9.023 380 2HB SER 51 1HB SER 51 3.038 -10.471 -8.723 381 HG SER 51 HG SER 51 2.484 -9.556 -11.077 382 H GLN 52 H GLN 52 2.064 -10.184 -6.337 383 HA GLN 52 HA GLN 52 2.884 -12.841 -5.688 384 1HB GLN 52 2HB GLN 52 3.194 -10.173 -4.247 385 2HB GLN 52 1HB GLN 52 3.846 -11.679 -3.632 386 1HG GLN 52 2HG GLN 52 4.482 -10.832 -6.473 387 2HG GLN 52 1HG GLN 52 5.351 -10.097 -5.141 388 1HE2 GLN 52 1HE2 GLN 52 7.128 -11.045 -4.513 389 2HE2 GLN 52 2HE2 GLN 52 7.564 -12.708 -4.722 390 H PHE 53 H PHE 53 0.158 -10.761 -5.085 391 HA PHE 53 HA PHE 53 -0.711 -12.592 -2.959 392 1HB PHE 53 2HB PHE 53 -1.640 -9.710 -3.417 393 2HB PHE 53 1HB PHE 53 -1.801 -10.652 -1.948 394 HD1 PHE 53 1HD PHE 53 0.848 -9.252 -4.174 395 HD2 PHE 53 2HD PHE 53 -0.308 -10.279 -0.223 396 HE1 PHE 53 1HE PHE 53 2.965 -8.235 -3.290 397 HE2 PHE 53 2HE PHE 53 1.809 -9.263 0.661 398 HZ PHE 53 HZ PHE 53 3.420 -8.253 -0.883 399 H GLY 54 H GLY 54 -1.541 -10.669 -5.870 400 1HA GLY 54 2HA GLY 54 -3.095 -11.122 -7.460 401 2HA GLY 54 1HA GLY 54 -3.609 -12.537 -6.564 402 H VAL 55 H VAL 55 -3.438 -9.050 -5.568 403 HA VAL 55 HA VAL 55 -6.003 -9.230 -4.354 404 HB VAL 55 HB VAL 55 -3.965 -7.825 -3.695 405 1HG1 VAL 55 1HG1 VAL 55 -5.125 -6.066 -5.880 406 2HG1 VAL 55 2HG1 VAL 55 -3.991 -5.501 -4.629 407 3HG1 VAL 55 3HG1 VAL 55 -3.482 -6.746 -5.795 408 1HG2 VAL 55 1HG2 VAL 55 -6.755 -6.634 -3.792 409 2HG2 VAL 55 2HG2 VAL 55 -6.051 -7.642 -2.505 410 3HG2 VAL 55 3HG2 VAL 55 -5.425 -6.001 -2.793 411 H ASP 56 H ASP 56 -7.847 -7.759 -4.914 412 HA ASP 56 HA ASP 56 -7.899 -7.252 -7.781 413 1HB ASP 56 2HB ASP 56 -9.198 -9.290 -7.350 414 2HB ASP 56 1HB ASP 56 -10.062 -8.514 -6.038 415 H ALA 57 H ALA 57 -8.181 -5.027 -7.998 416 HA ALA 57 HA ALA 57 -10.295 -3.737 -6.553 417 1HB ALA 57 1HB ALA 57 -8.635 -3.551 -4.830 418 2HB ALA 57 2HB ALA 57 -7.376 -3.093 -6.003 419 3HB ALA 57 3HB ALA 57 -8.707 -1.969 -5.642 420 HA PRO 58 HA PRO 58 -10.146 -1.338 -10.146 421 1HB PRO 58 2HB PRO 58 -11.299 1.013 -9.364 422 2HB PRO 58 1HB PRO 58 -12.222 -0.428 -9.741 423 1HG PRO 58 2HG PRO 58 -11.611 0.742 -7.096 424 2HG PRO 58 1HG PRO 58 -12.852 -0.419 -7.522 425 1HD PRO 58 2HD PRO 58 -10.370 -0.971 -6.194 426 2HD PRO 58 1HD PRO 58 -11.560 -2.145 -6.724 427 H VAL 59 H VAL 59 -9.596 0.967 -11.098 428 HA VAL 59 HA VAL 59 -7.229 1.904 -9.656 429 HB VAL 59 HB VAL 59 -7.348 1.181 -12.591 430 1HG1 VAL 59 1HG1 VAL 59 -4.738 1.811 -11.381 431 2HG1 VAL 59 2HG1 VAL 59 -5.432 2.307 -12.945 432 3HG1 VAL 59 3HG1 VAL 59 -5.858 3.192 -11.460 433 1HG2 VAL 59 1HG2 VAL 59 -6.643 -0.851 -12.010 434 2HG2 VAL 59 2HG2 VAL 59 -5.234 -0.134 -11.191 435 3HG2 VAL 59 3HG2 VAL 59 -6.746 -0.403 -10.290 436 H SER 60 H SER 60 -9.657 2.384 -12.286 437 HA SER 60 HA SER 60 -9.216 4.857 -13.061 438 1HB SER 60 2HB SER 60 -11.749 5.152 -13.153 439 2HB SER 60 1HB SER 60 -11.130 3.693 -13.901 440 HG SER 60 HG SER 60 -12.387 2.583 -12.585 441 H GLU 61 H GLU 61 -11.249 4.102 -10.128 442 HA GLU 61 HA GLU 61 -10.176 6.515 -8.935 443 1HB GLU 61 2HB GLU 61 -12.918 6.175 -9.869 444 2HB GLU 61 1HB GLU 61 -12.899 6.425 -8.135 445 1HG GLU 61 2HG GLU 61 -11.295 8.412 -8.583 446 2HG GLU 61 1HG GLU 61 -11.705 8.233 -10.278 447 H PHE 62 H PHE 62 -9.040 4.333 -8.114 448 HA PHE 62 HA PHE 62 -10.431 2.656 -6.387 449 1HB PHE 62 2HB PHE 62 -8.064 2.191 -5.573 450 2HB PHE 62 1HB PHE 62 -8.175 2.196 -7.322 451 HD1 PHE 62 1HD PHE 62 -6.580 3.377 -8.495 452 HD2 PHE 62 2HD PHE 62 -7.489 4.582 -4.529 453 HE1 PHE 62 1HE PHE 62 -4.766 5.107 -8.604 454 HE2 PHE 62 2HE PHE 62 -5.674 6.313 -4.638 455 HZ PHE 62 HZ PHE 62 -4.335 6.555 -6.675 456 H ASP 63 H ASP 63 -10.229 2.493 -3.995 457 HA ASP 63 HA ASP 63 -10.929 4.933 -2.829 458 1HB ASP 63 2HB ASP 63 -10.681 2.100 -2.043 459 2HB ASP 63 1HB ASP 63 -10.229 3.178 -0.737 460 H ARG 64 H ARG 64 -8.976 6.274 -3.304 461 HA ARG 64 HA ARG 64 -6.432 5.652 -2.752 462 1HB ARG 64 2HB ARG 64 -6.186 8.197 -2.238 463 2HB ARG 64 1HB ARG 64 -6.836 7.750 -3.802 464 1HG ARG 64 2HG ARG 64 -8.627 9.062 -3.325 465 2HG ARG 64 1HG ARG 64 -9.115 7.843 -2.163 466 1HD ARG 64 2HD ARG 64 -7.342 9.120 -0.592 467 2HD ARG 64 1HD ARG 64 -7.665 10.450 -1.685 468 HE ARG 64 HE ARG 64 -9.508 9.332 0.289 469 1HH1 ARG 64 2HH2 ARG 64 -9.296 11.107 -2.742 470 2HH1 ARG 64 1HH2 ARG 64 -10.848 11.856 -2.559 471 1HH2 ARG 64 2HH1 ARG 64 -11.554 10.320 0.531 472 2HH2 ARG 64 1HH1 ARG 64 -12.139 11.406 -0.685 473 H LYS 65 H LYS 65 -9.016 6.643 -0.473 474 HA LYS 65 HA LYS 65 -7.417 7.190 1.736 475 1HB LYS 65 2HB LYS 65 -9.578 7.922 1.985 476 2HB LYS 65 1HB LYS 65 -10.280 6.489 1.260 477 1HG LYS 65 2HG LYS 65 -10.301 5.318 3.249 478 2HG LYS 65 1HG LYS 65 -8.779 5.996 3.792 479 1HD LYS 65 2HD LYS 65 -11.273 7.726 3.647 480 2HD LYS 65 1HD LYS 65 -10.991 6.689 5.031 481 1HE LYS 65 2HE LYS 65 -9.014 7.853 5.667 482 2HE LYS 65 1HE LYS 65 -8.796 8.555 4.077 483 1HZ LYS 65 1HZ LYS 65 -10.810 9.272 6.077 484 2HZ LYS 65 2HZ LYS 65 -9.662 10.227 5.417 485 3HZ LYS 65 3HZ LYS 65 -10.938 9.744 4.519 486 H GLU 66 H GLU 66 -8.456 4.144 0.235 487 HA GLU 66 HA GLU 66 -7.613 2.640 2.521 488 1HB GLU 66 2HB GLU 66 -9.521 1.806 1.280 489 2HB GLU 66 1HB GLU 66 -8.641 1.856 -0.235 490 1HG GLU 66 2HG GLU 66 -7.288 -0.011 0.331 491 2HG GLU 66 1HG GLU 66 -7.573 0.176 2.050 492 H TRP 67 H TRP 67 -6.302 3.827 -0.527 493 HA TRP 67 HA TRP 67 -3.976 2.068 -0.223 494 1HB TRP 67 2HB TRP 67 -4.605 3.836 -2.581 495 2HB TRP 67 1HB TRP 67 -3.468 2.505 -2.490 496 HD1 TRP 67 HD TRP 67 -7.146 3.209 -3.148 497 HE1 TRP 67 1HE TRP 67 -8.460 1.030 -3.851 498 HE3 TRP 67 3HE TRP 67 -3.411 -0.046 -2.007 499 HZ2 TRP 67 2HZ TRP 67 -7.803 -1.746 -3.851 500 HZ3 TRP 67 3HZ TRP 67 -3.828 -2.473 -2.389 501 HH2 TRP 67 HH TRP 67 -5.934 -3.339 -3.278 502 H ASP 68 H ASP 68 -4.880 4.588 1.371 503 HA ASP 68 HA ASP 68 -2.807 6.429 0.606 504 1HB ASP 68 2HB ASP 68 -4.672 7.658 1.255 505 2HB ASP 68 1HB ASP 68 -5.203 6.449 2.407 506 H THR 69 H THR 69 -3.749 4.097 3.172 507 HA THR 69 HA THR 69 -1.164 4.587 4.498 508 HB THR 69 HB THR 69 -2.565 3.399 6.434 509 HG1 THR 69 1HG THR 69 -4.774 3.480 5.977 510 1HG2 THR 69 1HG2 THR 69 -3.825 6.040 5.975 511 2HG2 THR 69 2HG2 THR 69 -2.812 5.497 7.334 512 3HG2 THR 69 3HG2 THR 69 -2.051 6.090 5.839 513 HA PRO 70 HA PRO 70 -0.031 0.528 3.700 514 1HB PRO 70 2HB PRO 70 1.416 -0.183 5.906 515 2HB PRO 70 1HB PRO 70 2.058 0.822 4.621 516 1HG PRO 70 2HG PRO 70 1.169 1.616 7.327 517 2HG PRO 70 1HG PRO 70 2.187 2.495 6.204 518 1HD PRO 70 2HD PRO 70 -0.581 2.998 6.768 519 2HD PRO 70 1HD PRO 70 0.406 3.801 5.561 520 H ASN 71 H ASN 71 -1.531 0.953 6.827 521 HA ASN 71 HA ASN 71 -2.056 -1.736 7.227 522 1HB ASN 71 2HB ASN 71 -2.787 0.834 8.425 523 2HB ASN 71 1HB ASN 71 -4.190 -0.216 8.386 524 1HD2 ASN 71 1HD2 ASN 71 -2.609 0.730 10.636 525 2HD2 ASN 71 2HD2 ASN 71 -2.027 -0.661 11.490 526 H LYS 72 H LYS 72 -4.144 0.996 6.004 527 HA LYS 72 HA LYS 72 -6.416 -0.430 5.466 528 1HB LYS 72 2HB LYS 72 -5.217 2.120 4.590 529 2HB LYS 72 1HB LYS 72 -6.374 1.443 3.460 530 1HG LYS 72 2HG LYS 72 -8.159 1.650 4.933 531 2HG LYS 72 1HG LYS 72 -7.168 1.378 6.353 532 1HD LYS 72 2HD LYS 72 -6.741 3.607 6.634 533 2HD LYS 72 1HD LYS 72 -6.434 3.860 4.928 534 1HE LYS 72 2HE LYS 72 -8.431 5.135 5.642 535 2HE LYS 72 1HE LYS 72 -8.875 3.914 4.467 536 1HZ LYS 72 1HZ LYS 72 -9.171 3.692 7.381 537 2HZ LYS 72 2HZ LYS 72 -10.375 3.860 6.292 538 3HZ LYS 72 3HZ LYS 72 -9.495 2.484 6.332 539 H ILE 73 H ILE 73 -3.336 -0.297 3.682 540 HA ILE 73 HA ILE 73 -4.437 -1.648 1.402 541 HB ILE 73 HB ILE 73 -1.688 -0.763 2.237 542 1HG1 ILE 73 2HG1 ILE 73 -3.569 0.049 0.003 543 2HG1 ILE 73 1HG1 ILE 73 -3.182 0.980 1.436 544 1HG2 ILE 73 1HG2 ILE 73 -2.364 -2.897 0.382 545 2HG2 ILE 73 2HG2 ILE 73 -1.500 -1.564 -0.421 546 3HG2 ILE 73 3HG2 ILE 73 -0.779 -2.367 0.995 547 1HD1 ILE 73 1HD1 ILE 73 -1.563 1.935 0.143 548 2HD1 ILE 73 2HD1 ILE 73 -0.654 0.432 0.430 549 3HD1 ILE 73 3HD1 ILE 73 -1.621 0.618 -1.054 550 H ILE 74 H ILE 74 -2.128 -2.479 4.078 551 HA ILE 74 HA ILE 74 -1.647 -5.068 3.440 552 HB ILE 74 HB ILE 74 -1.735 -3.477 5.925 553 1HG1 ILE 74 2HG1 ILE 74 0.369 -5.405 4.927 554 2HG1 ILE 74 1HG1 ILE 74 0.222 -3.775 4.301 555 1HG2 ILE 74 1HG2 ILE 74 -2.827 -5.312 6.887 556 2HG2 ILE 74 2HG2 ILE 74 -1.902 -6.488 5.923 557 3HG2 ILE 74 3HG2 ILE 74 -1.102 -5.588 7.234 558 1HD1 ILE 74 1HD1 ILE 74 1.789 -3.534 6.054 559 2HD1 ILE 74 2HD1 ILE 74 0.262 -3.028 6.815 560 3HD1 ILE 74 3HD1 ILE 74 0.910 -4.658 7.118 561 H ALA 75 H ALA 75 -4.632 -3.631 4.739 562 HA ALA 75 HA ALA 75 -5.812 -6.130 5.416 563 1HB ALA 75 1HB ALA 75 -6.648 -3.252 5.225 564 2HB ALA 75 2HB ALA 75 -7.916 -4.501 5.262 565 3HB ALA 75 3HB ALA 75 -6.748 -4.378 6.599 566 H LYS 76 H LYS 76 -5.848 -3.915 2.574 567 HA LYS 76 HA LYS 76 -7.832 -5.335 1.176 568 1HB LYS 76 2HB LYS 76 -6.920 -2.930 0.847 569 2HB LYS 76 1HB LYS 76 -5.664 -3.682 -0.115 570 1HG LYS 76 2HG LYS 76 -7.420 -3.089 -1.652 571 2HG LYS 76 1HG LYS 76 -7.500 -4.830 -1.472 572 1HD LYS 76 2HD LYS 76 -9.445 -4.736 -0.113 573 2HD LYS 76 1HD LYS 76 -9.168 -3.068 0.346 574 1HE LYS 76 2HE LYS 76 -10.430 -2.332 -1.390 575 2HE LYS 76 1HE LYS 76 -9.412 -3.179 -2.537 576 1HZ LYS 76 1HZ LYS 76 -10.733 -5.044 -2.414 577 2HZ LYS 76 2HZ LYS 76 -11.418 -4.633 -0.990 578 3HZ LYS 76 3HZ LYS 76 -11.836 -3.840 -2.357 579 H VAL 77 H VAL 77 -4.502 -6.009 1.915 580 HA VAL 77 HA VAL 77 -4.167 -7.748 -0.369 581 HB VAL 77 HB VAL 77 -2.394 -7.323 2.042 582 1HG1 VAL 77 1HG1 VAL 77 -1.921 -8.527 -0.700 583 2HG1 VAL 77 2HG1 VAL 77 -0.608 -8.045 0.401 584 3HG1 VAL 77 3HG1 VAL 77 -1.757 -9.314 0.888 585 1HG2 VAL 77 1HG2 VAL 77 -3.103 -5.425 0.086 586 2HG2 VAL 77 2HG2 VAL 77 -1.765 -5.331 1.256 587 3HG2 VAL 77 3HG2 VAL 77 -1.482 -6.004 -0.368 588 H GLU 78 H GLU 78 -4.971 -7.880 3.108 589 HA GLU 78 HA GLU 78 -4.764 -10.731 3.123 590 1HB GLU 78 2HB GLU 78 -5.787 -8.742 5.195 591 2HB GLU 78 1HB GLU 78 -5.663 -10.466 5.478 592 1HG GLU 78 2HG GLU 78 -3.134 -9.882 4.488 593 2HG GLU 78 1HG GLU 78 -3.518 -8.412 5.362 594 H GLN 79 H GLN 79 -7.132 -8.316 2.308 595 HA GLN 79 HA GLN 79 -9.310 -10.158 2.768 596 1HB GLN 79 2HB GLN 79 -9.135 -7.428 3.041 597 2HB GLN 79 1HB GLN 79 -9.842 -7.542 1.442 598 1HG GLN 79 2HG GLN 79 -11.711 -8.863 2.266 599 2HG GLN 79 1HG GLN 79 -10.946 -9.089 3.827 600 1HE2 GLN 79 1HE2 GLN 79 -10.701 -7.315 5.244 601 2HE2 GLN 79 2HE2 GLN 79 -11.742 -5.933 5.166 602 H ALA 80 H ALA 80 -7.070 -10.436 0.658 603 HA ALA 80 HA ALA 80 -8.879 -10.667 -1.649 604 1HB ALA 80 1HB ALA 80 -6.142 -9.494 -1.372 605 2HB ALA 80 2HB ALA 80 -6.474 -10.445 -2.840 606 3HB ALA 80 3HB ALA 80 -7.481 -9.030 -2.450 607 H GLN 81 H GLN 81 -5.987 -11.908 0.122 608 HA GLN 81 HA GLN 81 -5.353 -14.052 -1.308 609 1HB GLN 81 2HB GLN 81 -5.649 -13.916 1.725 610 2HB GLN 81 1HB GLN 81 -4.757 -15.166 0.880 611 1HG GLN 81 2HG GLN 81 -4.138 -12.190 1.005 612 2HG GLN 81 1HG GLN 81 -3.128 -13.521 1.533 613 1HE2 GLN 81 1HE2 GLN 81 -4.430 -11.779 -1.202 614 2HE2 GLN 81 2HE2 GLN 81 -3.320 -12.342 -2.406 Start of MODEL 18 1 H ALA 2 H ALA 2 1.972 -16.054 0.430 2 HA ALA 2 HA ALA 2 0.179 -15.027 1.444 3 1HB ALA 2 1HB ALA 2 0.184 -17.897 1.209 4 2HB ALA 2 2HB ALA 2 -0.820 -17.434 2.604 5 3HB ALA 2 3HB ALA 2 -1.171 -16.762 0.993 6 H ASP 3 H ASP 3 2.631 -16.267 3.470 7 HA ASP 3 HA ASP 3 1.166 -15.832 5.892 8 1HB ASP 3 2HB ASP 3 4.171 -16.219 5.638 9 2HB ASP 3 1HB ASP 3 3.154 -16.603 7.012 10 H GLU 4 H GLU 4 3.494 -14.718 7.380 11 HA GLU 4 HA GLU 4 2.978 -12.084 7.264 12 1HB GLU 4 2HB GLU 4 4.818 -13.782 8.600 13 2HB GLU 4 1HB GLU 4 5.795 -12.502 7.907 14 1HG GLU 4 2HG GLU 4 5.142 -11.628 10.016 15 2HG GLU 4 1HG GLU 4 4.048 -10.848 8.890 16 H ALA 5 H ALA 5 4.815 -13.989 4.985 17 HA ALA 5 HA ALA 5 6.532 -12.028 3.984 18 1HB ALA 5 1HB ALA 5 6.644 -14.496 3.563 19 2HB ALA 5 2HB ALA 5 5.214 -14.345 2.513 20 3HB ALA 5 3HB ALA 5 6.730 -13.524 2.074 21 H ILE 6 H ILE 6 3.095 -12.252 3.973 22 HA ILE 6 HA ILE 6 2.809 -10.765 1.505 23 HB ILE 6 HB ILE 6 1.109 -12.349 3.276 24 1HG1 ILE 6 2HG1 ILE 6 1.183 -11.649 0.338 25 2HG1 ILE 6 1HG1 ILE 6 1.595 -13.171 1.104 26 1HG2 ILE 6 1HG2 ILE 6 0.175 -10.104 3.732 27 2HG2 ILE 6 2HG2 ILE 6 -0.095 -9.885 1.987 28 3HG2 ILE 6 3HG2 ILE 6 -0.960 -11.168 2.868 29 1HD1 ILE 6 1HD1 ILE 6 -0.611 -13.401 0.105 30 2HD1 ILE 6 2HD1 ILE 6 -0.814 -13.372 1.873 31 3HD1 ILE 6 3HD1 ILE 6 -1.182 -11.919 0.913 32 H LYS 7 H LYS 7 2.362 -10.329 5.065 33 HA LYS 7 HA LYS 7 1.553 -7.626 4.794 34 1HB LYS 7 2HB LYS 7 1.278 -9.434 6.739 35 2HB LYS 7 1HB LYS 7 2.740 -8.670 7.331 36 1HG LYS 7 2HG LYS 7 1.305 -6.434 6.705 37 2HG LYS 7 1HG LYS 7 -0.021 -7.530 7.044 38 1HD LYS 7 2HD LYS 7 0.310 -7.175 9.258 39 2HD LYS 7 1HD LYS 7 1.855 -7.990 9.125 40 1HE LYS 7 2HE LYS 7 1.753 -5.117 8.239 41 2HE LYS 7 1HE LYS 7 1.630 -5.419 9.960 42 1HZ LYS 7 1HZ LYS 7 3.685 -6.476 9.962 43 2HZ LYS 7 2HZ LYS 7 3.734 -6.651 8.339 44 3HZ LYS 7 3HZ LYS 7 3.917 -5.171 9.006 45 H ASN 8 H ASN 8 4.672 -9.318 5.405 46 HA ASN 8 HA ASN 8 6.081 -6.949 5.879 47 1HB ASN 8 2HB ASN 8 6.721 -9.446 6.400 48 2HB ASN 8 1HB ASN 8 7.292 -9.509 4.744 49 1HD2 ASN 8 1HD2 ASN 8 9.235 -10.018 6.196 50 2HD2 ASN 8 2HD2 ASN 8 10.294 -8.699 6.568 51 H GLY 9 H GLY 9 5.666 -9.160 3.023 52 1HA GLY 9 2HA GLY 9 7.344 -7.899 1.216 53 2HA GLY 9 1HA GLY 9 5.915 -8.830 0.815 54 H VAL 10 H VAL 10 3.850 -7.273 1.975 55 HA VAL 10 HA VAL 10 3.432 -5.379 -0.008 56 HB VAL 10 HB VAL 10 2.186 -6.088 2.610 57 1HG1 VAL 10 1HG1 VAL 10 1.776 -3.838 2.886 58 2HG1 VAL 10 2HG1 VAL 10 1.791 -3.506 1.138 59 3HG1 VAL 10 3HG1 VAL 10 0.381 -4.300 1.880 60 1HG2 VAL 10 1HG2 VAL 10 0.830 -7.273 1.295 61 2HG2 VAL 10 2HG2 VAL 10 0.400 -5.821 0.359 62 3HG2 VAL 10 3HG2 VAL 10 1.821 -6.790 -0.103 63 H LEU 11 H LEU 11 4.512 -4.996 3.430 64 HA LEU 11 HA LEU 11 4.737 -2.194 3.246 65 1HB LEU 11 2HB LEU 11 4.751 -4.056 5.242 66 2HB LEU 11 1HB LEU 11 6.442 -3.601 5.187 67 HG LEU 11 HG LEU 11 5.957 -1.321 5.675 68 1HD1 LEU 11 1HD1 LEU 11 4.141 -0.589 4.516 69 2HD1 LEU 11 2HD1 LEU 11 3.184 -2.050 4.861 70 3HD1 LEU 11 3HD1 LEU 11 3.384 -0.801 6.114 71 1HD2 LEU 11 1HD2 LEU 11 5.944 -2.890 7.581 72 2HD2 LEU 11 2HD2 LEU 11 4.916 -1.464 7.857 73 3HD2 LEU 11 3HD2 LEU 11 4.175 -3.027 7.435 74 H ASP 12 H ASP 12 7.042 -4.931 2.792 75 HA ASP 12 HA ASP 12 9.305 -3.397 2.542 76 1HB ASP 12 2HB ASP 12 8.768 -6.056 2.489 77 2HB ASP 12 1HB ASP 12 8.960 -5.803 0.767 78 H ILE 13 H ILE 13 6.542 -3.904 0.419 79 HA ILE 13 HA ILE 13 7.996 -2.908 -1.901 80 HB ILE 13 HB ILE 13 5.508 -4.438 -1.429 81 1HG1 ILE 13 2HG1 ILE 13 7.124 -4.645 -3.917 82 2HG1 ILE 13 1HG1 ILE 13 7.940 -5.063 -2.424 83 1HG2 ILE 13 1HG2 ILE 13 5.804 -2.619 -3.835 84 2HG2 ILE 13 2HG2 ILE 13 4.531 -3.834 -3.575 85 3HG2 ILE 13 3HG2 ILE 13 4.635 -2.412 -2.509 86 1HD1 ILE 13 1HD1 ILE 13 6.364 -6.785 -1.900 87 2HD1 ILE 13 2HD1 ILE 13 5.188 -6.176 -3.088 88 3HD1 ILE 13 3HD1 ILE 13 6.685 -6.965 -3.641 89 H LEU 14 H LEU 14 6.068 -1.836 0.754 90 HA LEU 14 HA LEU 14 5.062 0.466 -0.697 91 1HB LEU 14 2HB LEU 14 4.316 -1.022 1.635 92 2HB LEU 14 1HB LEU 14 4.571 0.651 2.089 93 HG LEU 14 HG LEU 14 3.064 0.812 -0.260 94 1HD1 LEU 14 1HD1 LEU 14 1.701 -0.928 -0.476 95 2HD1 LEU 14 2HD1 LEU 14 2.711 -1.788 0.710 96 3HD1 LEU 14 3HD1 LEU 14 1.274 -0.890 1.251 97 1HD2 LEU 14 1HD2 LEU 14 2.312 2.364 1.156 98 2HD2 LEU 14 2HD2 LEU 14 1.230 1.096 1.783 99 3HD2 LEU 14 3HD2 LEU 14 2.786 1.417 2.587 100 H ALA 15 H ALA 15 7.384 -0.376 1.938 101 HA ALA 15 HA ALA 15 8.192 2.336 2.274 102 1HB ALA 15 1HB ALA 15 8.468 -0.137 3.627 103 2HB ALA 15 2HB ALA 15 10.117 0.381 3.207 104 3HB ALA 15 3HB ALA 15 9.061 1.457 4.151 105 H ASP 16 H ASP 16 9.083 -0.393 0.197 106 HA ASP 16 HA ASP 16 11.608 0.672 -0.480 107 1HB ASP 16 2HB ASP 16 11.234 -1.707 -0.734 108 2HB ASP 16 1HB ASP 16 9.797 -1.448 -1.704 109 H LEU 17 H LEU 17 8.313 1.367 -1.290 110 HA LEU 17 HA LEU 17 8.917 2.344 -3.948 111 1HB LEU 17 2HB LEU 17 6.634 1.369 -2.595 112 2HB LEU 17 1HB LEU 17 6.305 3.045 -2.988 113 HG LEU 17 HG LEU 17 7.474 1.566 -5.234 114 1HD1 LEU 17 1HD1 LEU 17 5.171 0.408 -3.767 115 2HD1 LEU 17 2HD1 LEU 17 5.010 0.529 -5.536 116 3HD1 LEU 17 3HD1 LEU 17 6.375 -0.366 -4.825 117 1HD2 LEU 17 1HD2 LEU 17 5.493 2.570 -6.396 118 2HD2 LEU 17 2HD2 LEU 17 5.006 3.272 -4.835 119 3HD2 LEU 17 3HD2 LEU 17 6.552 3.743 -5.578 120 H THR 18 H THR 18 7.616 3.688 -0.830 121 HA THR 18 HA THR 18 7.717 6.350 -1.574 122 HB THR 18 HB THR 18 7.662 6.719 0.898 123 HG1 THR 18 1HG THR 18 8.195 4.874 2.206 124 1HG2 THR 18 1HG2 THR 18 6.160 4.215 1.001 125 2HG2 THR 18 2HG2 THR 18 5.538 5.882 1.012 126 3HG2 THR 18 3HG2 THR 18 5.838 5.054 -0.536 127 H GLY 19 H GLY 19 10.332 4.150 -0.634 128 1HA GLY 19 2HA GLY 19 12.553 4.485 -1.113 129 2HA GLY 19 1HA GLY 19 12.252 6.183 -1.431 130 H SER 20 H SER 20 10.809 4.901 1.494 131 HA SER 20 HA SER 20 13.078 5.877 3.027 132 1HB SER 20 2HB SER 20 10.175 6.533 3.687 133 2HB SER 20 1HB SER 20 11.595 7.096 4.548 134 HG SER 20 HG SER 20 10.983 7.701 1.779 135 H ASP 21 H ASP 21 12.466 5.334 5.561 136 HA ASP 21 HA ASP 21 11.381 2.629 5.506 137 1HB ASP 21 2HB ASP 21 13.949 2.912 5.825 138 2HB ASP 21 1HB ASP 21 13.567 3.597 7.392 139 H ASP 22 H ASP 22 9.678 4.770 5.999 140 HA ASP 22 HA ASP 22 9.584 4.948 8.904 141 1HB ASP 22 2HB ASP 22 9.374 6.927 6.910 142 2HB ASP 22 1HB ASP 22 7.711 6.659 7.397 143 H VAL 23 H VAL 23 7.800 4.241 5.857 144 HA VAL 23 HA VAL 23 5.330 3.692 7.179 145 HB VAL 23 HB VAL 23 5.598 4.534 4.847 146 1HG1 VAL 23 1HG1 VAL 23 6.663 1.734 4.403 147 2HG1 VAL 23 2HG1 VAL 23 5.998 2.734 3.089 148 3HG1 VAL 23 3HG1 VAL 23 7.428 3.288 3.993 149 1HG2 VAL 23 1HG2 VAL 23 3.449 3.772 5.293 150 2HG2 VAL 23 2HG2 VAL 23 3.906 2.795 3.876 151 3HG2 VAL 23 3HG2 VAL 23 3.977 2.085 5.508 152 H LYS 24 H LYS 24 8.289 2.138 7.220 153 HA LYS 24 HA LYS 24 7.282 -0.547 6.950 154 1HB LYS 24 2HB LYS 24 9.545 0.088 6.186 155 2HB LYS 24 1HB LYS 24 9.995 0.485 7.832 156 1HG LYS 24 2HG LYS 24 9.208 -1.965 8.398 157 2HG LYS 24 1HG LYS 24 9.325 -2.241 6.671 158 1HD LYS 24 2HD LYS 24 11.715 -1.385 6.751 159 2HD LYS 24 1HD LYS 24 11.577 -1.274 8.494 160 1HE LYS 24 2HE LYS 24 12.520 -3.403 8.272 161 2HE LYS 24 1HE LYS 24 10.817 -3.811 8.334 162 1HZ LYS 24 1HZ LYS 24 12.083 -4.826 6.489 163 2HZ LYS 24 2HZ LYS 24 10.761 -3.999 6.005 164 3HZ LYS 24 3HZ LYS 24 12.246 -3.348 5.814 165 H LYS 25 H LYS 25 7.959 1.848 9.496 166 HA LYS 25 HA LYS 25 7.371 -0.181 11.516 167 1HB LYS 25 2HB LYS 25 8.301 1.360 13.113 168 2HB LYS 25 1HB LYS 25 9.423 1.173 11.780 169 1HG LYS 25 2HG LYS 25 9.400 3.505 12.039 170 2HG LYS 25 1HG LYS 25 8.211 3.290 10.770 171 1HD LYS 25 2HD LYS 25 6.649 4.290 12.068 172 2HD LYS 25 1HD LYS 25 6.798 2.996 13.240 173 1HE LYS 25 2HE LYS 25 7.438 4.737 14.618 174 2HE LYS 25 1HE LYS 25 9.013 4.389 13.933 175 1HZ LYS 25 1HZ LYS 25 8.730 6.115 12.374 176 2HZ LYS 25 2HZ LYS 25 7.158 6.338 12.759 177 3HZ LYS 25 3HZ LYS 25 8.325 6.741 13.828 178 H ASN 26 H ASN 26 6.338 3.068 10.310 179 HA ASN 26 HA ASN 26 4.193 3.215 12.107 180 1HB ASN 26 2HB ASN 26 5.264 4.761 9.812 181 2HB ASN 26 1HB ASN 26 3.514 4.824 9.900 182 1HD2 ASN 26 1HD2 ASN 26 2.537 5.372 11.980 183 2HD2 ASN 26 2HD2 ASN 26 3.318 6.520 13.017 184 H LEU 27 H LEU 27 1.913 2.810 11.676 185 HA LEU 27 HA LEU 27 1.422 1.268 9.223 186 1HB LEU 27 2HB LEU 27 0.222 0.821 11.960 187 2HB LEU 27 1HB LEU 27 -0.169 -0.071 10.503 188 HG LEU 27 HG LEU 27 2.700 -0.093 11.120 189 1HD1 LEU 27 1HD1 LEU 27 0.850 -1.492 13.067 190 2HD1 LEU 27 2HD1 LEU 27 2.630 -1.499 13.062 191 3HD1 LEU 27 3HD1 LEU 27 1.747 0.004 13.422 192 1HD2 LEU 27 1HD2 LEU 27 0.670 -2.293 10.650 193 2HD2 LEU 27 2HD2 LEU 27 1.671 -1.504 9.408 194 3HD2 LEU 27 3HD2 LEU 27 2.440 -2.483 10.681 195 H ASP 28 H ASP 28 1.225 4.203 9.730 196 HA ASP 28 HA ASP 28 -1.413 4.462 8.722 197 1HB ASP 28 2HB ASP 28 -1.004 4.814 11.530 198 2HB ASP 28 1HB ASP 28 -1.166 6.427 10.864 199 H LEU 29 H LEU 29 1.450 4.930 7.970 200 HA LEU 29 HA LEU 29 1.800 7.791 8.103 201 1HB LEU 29 2HB LEU 29 3.631 6.069 8.337 202 2HB LEU 29 1HB LEU 29 3.452 5.746 6.624 203 HG LEU 29 HG LEU 29 3.813 8.371 6.430 204 1HD1 LEU 29 1HD1 LEU 29 4.429 9.435 8.272 205 2HD1 LEU 29 2HD1 LEU 29 4.246 7.930 9.205 206 3HD1 LEU 29 3HD1 LEU 29 5.814 8.333 8.465 207 1HD2 LEU 29 1HD2 LEU 29 6.333 7.867 6.334 208 2HD2 LEU 29 2HD2 LEU 29 5.874 6.195 6.739 209 3HD2 LEU 29 3HD2 LEU 29 5.249 6.955 5.256 210 H ASN 30 H ASN 30 0.179 8.801 6.930 211 HA ASN 30 HA ASN 30 -1.104 8.020 4.776 212 1HB ASN 30 2HB ASN 30 0.105 10.824 4.897 213 2HB ASN 30 1HB ASN 30 -1.438 10.367 4.204 214 1HD2 ASN 30 1HD2 ASN 30 -2.660 8.842 5.966 215 2HD2 ASN 30 2HD2 ASN 30 -2.923 9.633 7.485 216 H LEU 31 H LEU 31 -0.443 7.215 2.779 217 HA LEU 31 HA LEU 31 2.265 7.611 1.932 218 1HB LEU 31 2HB LEU 31 -0.061 6.176 0.643 219 2HB LEU 31 1HB LEU 31 1.592 6.149 0.061 220 HG LEU 31 HG LEU 31 1.028 5.274 2.876 221 1HD1 LEU 31 1HD1 LEU 31 0.726 3.418 0.507 222 2HD1 LEU 31 2HD1 LEU 31 0.458 3.055 2.229 223 3HD1 LEU 31 3HD1 LEU 31 -0.645 4.156 1.368 224 1HD2 LEU 31 1HD2 LEU 31 2.936 3.772 2.429 225 2HD2 LEU 31 2HD2 LEU 31 3.062 4.448 0.787 226 3HD2 LEU 31 3HD2 LEU 31 3.344 5.490 2.203 227 H PHE 32 H PHE 32 -0.518 9.498 1.800 228 HA PHE 32 HA PHE 32 0.360 10.712 -0.726 229 1HB PHE 32 2HB PHE 32 -2.320 10.541 0.767 230 2HB PHE 32 1HB PHE 32 -2.086 11.640 -0.577 231 HD1 PHE 32 1HD PHE 32 -3.848 8.975 -0.023 232 HD2 PHE 32 2HD PHE 32 -0.493 9.965 -2.427 233 HE1 PHE 32 1HE PHE 32 -4.457 7.144 -1.629 234 HE2 PHE 32 2HE PHE 32 -1.103 8.134 -4.031 235 HZ PHE 32 HZ PHE 32 -3.078 6.746 -3.613 236 H GLU 33 H GLU 33 -0.925 11.337 2.600 237 HA GLU 33 HA GLU 33 -0.568 14.109 2.395 238 1HB GLU 33 2HB GLU 33 -1.860 12.418 4.142 239 2HB GLU 33 1HB GLU 33 -0.476 12.889 5.109 240 1HG GLU 33 2HG GLU 33 -1.353 15.296 3.896 241 2HG GLU 33 1HG GLU 33 -2.829 14.467 4.350 242 H THR 34 H THR 34 1.641 11.500 2.728 243 HA THR 34 HA THR 34 3.610 13.116 4.157 244 HB THR 34 HB THR 34 3.636 10.212 3.174 245 HG1 THR 34 1HG THR 34 2.074 10.528 4.839 246 1HG2 THR 34 1HG2 THR 34 5.521 9.898 4.638 247 2HG2 THR 34 2HG2 THR 34 5.906 11.374 3.721 248 3HG2 THR 34 3HG2 THR 34 5.297 11.497 5.389 249 H GLY 35 H GLY 35 2.566 12.451 0.947 250 1HA GLY 35 2HA GLY 35 3.380 13.341 -0.979 251 2HA GLY 35 1HA GLY 35 4.764 13.977 -0.113 252 H LEU 36 H LEU 36 4.422 10.719 0.765 253 HA LEU 36 HA LEU 36 6.773 9.972 -0.569 254 1HB LEU 36 2HB LEU 36 4.667 8.467 0.966 255 2HB LEU 36 1HB LEU 36 6.035 7.653 0.233 256 HG LEU 36 HG LEU 36 6.131 9.785 2.383 257 1HD1 LEU 36 1HD1 LEU 36 5.607 7.131 2.676 258 2HD1 LEU 36 2HD1 LEU 36 7.380 7.152 2.828 259 3HD1 LEU 36 3HD1 LEU 36 6.383 8.157 3.906 260 1HD2 LEU 36 1HD2 LEU 36 8.050 10.283 1.202 261 2HD2 LEU 36 2HD2 LEU 36 8.642 9.071 2.363 262 3HD2 LEU 36 3HD2 LEU 36 8.300 8.599 0.681 263 H LEU 37 H LEU 37 3.291 9.620 -1.310 264 HA LEU 37 HA LEU 37 4.105 8.593 -3.935 265 1HB LEU 37 2HB LEU 37 2.853 7.073 -2.043 266 2HB LEU 37 1HB LEU 37 1.483 7.717 -2.927 267 HG LEU 37 HG LEU 37 3.543 6.730 -4.736 268 1HD1 LEU 37 1HD1 LEU 37 2.641 4.267 -3.963 269 2HD1 LEU 37 2HD1 LEU 37 4.229 4.957 -3.551 270 3HD1 LEU 37 3HD1 LEU 37 2.880 5.077 -2.396 271 1HD2 LEU 37 1HD2 LEU 37 1.635 6.777 -5.894 272 2HD2 LEU 37 2HD2 LEU 37 1.270 5.221 -5.111 273 3HD2 LEU 37 3HD2 LEU 37 0.632 6.733 -4.424 274 H ASP 38 H ASP 38 2.053 8.835 -5.493 275 HA ASP 38 HA ASP 38 0.779 11.368 -4.857 276 1HB ASP 38 2HB ASP 38 2.651 10.748 -7.075 277 2HB ASP 38 1HB ASP 38 1.151 11.468 -7.624 278 H SER 39 H SER 39 1.073 8.834 -7.476 279 HA SER 39 HA SER 39 -1.524 7.895 -7.051 280 1HB SER 39 2HB SER 39 -2.436 9.798 -8.109 281 2HB SER 39 1HB SER 39 -1.112 9.928 -9.250 282 HG SER 39 HG SER 39 -2.843 9.093 -10.412 283 H MET 40 H MET 40 0.688 8.536 -9.880 284 HA MET 40 HA MET 40 0.351 6.209 -11.175 285 1HB MET 40 2HB MET 40 2.198 8.394 -11.164 286 2HB MET 40 1HB MET 40 3.195 6.953 -11.123 287 1HG MET 40 2HG MET 40 2.778 6.545 -13.319 288 2HG MET 40 1HG MET 40 1.050 6.529 -13.028 289 1HE MET 40 1HE MET 40 -0.048 7.833 -14.934 290 2HE MET 40 2HE MET 40 -0.529 8.408 -13.320 291 3HE MET 40 3HE MET 40 -0.208 9.578 -14.621 292 H GLY 41 H GLY 41 1.969 6.718 -8.094 293 1HA GLY 41 2HA GLY 41 3.683 4.493 -8.062 294 2HA GLY 41 1HA GLY 41 3.019 5.330 -6.672 295 H THR 42 H THR 42 0.298 4.932 -6.794 296 HA THR 42 HA THR 42 -0.059 2.424 -5.750 297 HB THR 42 HB THR 42 -1.561 4.728 -6.152 298 HG1 THR 42 1HG THR 42 -2.203 1.961 -5.430 299 1HG2 THR 42 1HG2 THR 42 -2.390 3.973 -8.374 300 2HG2 THR 42 2HG2 THR 42 -2.840 2.399 -7.678 301 3HG2 THR 42 3HG2 THR 42 -3.695 3.874 -7.168 302 H VAL 43 H VAL 43 -0.135 3.440 -9.174 303 HA VAL 43 HA VAL 43 -1.325 1.147 -10.196 304 HB VAL 43 HB VAL 43 0.780 2.936 -11.429 305 1HG1 VAL 43 1HG1 VAL 43 -1.292 1.119 -12.705 306 2HG1 VAL 43 2HG1 VAL 43 -0.242 2.260 -13.578 307 3HG1 VAL 43 3HG1 VAL 43 0.472 0.883 -12.706 308 1HG2 VAL 43 1HG2 VAL 43 -1.347 4.001 -12.457 309 2HG2 VAL 43 2HG2 VAL 43 -2.204 3.229 -11.103 310 3HG2 VAL 43 3HG2 VAL 43 -0.913 4.411 -10.780 311 H GLN 44 H GLN 44 1.892 1.753 -8.877 312 HA GLN 44 HA GLN 44 3.066 -0.493 -10.131 313 1HB GLN 44 2HB GLN 44 4.418 1.435 -9.407 314 2HB GLN 44 1HB GLN 44 3.945 1.183 -7.739 315 1HG GLN 44 2HG GLN 44 5.324 -0.670 -7.470 316 2HG GLN 44 1HG GLN 44 5.160 -1.176 -9.139 317 1HE2 GLN 44 1HE2 GLN 44 7.571 -1.381 -8.379 318 2HE2 GLN 44 2HE2 GLN 44 8.615 -0.091 -8.877 319 H LEU 45 H LEU 45 2.403 0.199 -6.615 320 HA LEU 45 HA LEU 45 2.807 -2.257 -5.603 321 1HB LEU 45 2HB LEU 45 0.643 -1.479 -4.162 322 2HB LEU 45 1HB LEU 45 2.292 -0.946 -3.896 323 HG LEU 45 HG LEU 45 0.654 0.620 -5.837 324 1HD1 LEU 45 1HD1 LEU 45 0.101 0.482 -2.881 325 2HD1 LEU 45 2HD1 LEU 45 -0.185 1.975 -3.807 326 3HD1 LEU 45 3HD1 LEU 45 -1.040 0.478 -4.247 327 1HD2 LEU 45 1HD2 LEU 45 2.073 2.336 -5.338 328 2HD2 LEU 45 2HD2 LEU 45 2.311 1.807 -3.655 329 3HD2 LEU 45 3HD2 LEU 45 3.140 0.956 -4.981 330 H LEU 46 H LEU 46 -0.218 -1.092 -7.210 331 HA LEU 46 HA LEU 46 -1.783 -3.290 -6.815 332 1HB LEU 46 2HB LEU 46 -1.558 -1.332 -9.084 333 2HB LEU 46 1HB LEU 46 -2.737 -2.627 -9.118 334 HG LEU 46 HG LEU 46 -2.603 -0.221 -7.334 335 1HD1 LEU 46 1HD1 LEU 46 -4.869 0.094 -7.979 336 2HD1 LEU 46 2HD1 LEU 46 -3.958 -0.309 -9.454 337 3HD1 LEU 46 3HD1 LEU 46 -4.973 -1.543 -8.671 338 1HD2 LEU 46 1HD2 LEU 46 -3.765 -2.897 -6.595 339 2HD2 LEU 46 2HD2 LEU 46 -2.781 -1.780 -5.619 340 3HD2 LEU 46 3HD2 LEU 46 -4.478 -1.385 -5.985 341 H LEU 47 H LEU 47 0.784 -2.773 -9.298 342 HA LEU 47 HA LEU 47 0.311 -5.242 -10.587 343 1HB LEU 47 2HB LEU 47 1.655 -2.985 -11.195 344 2HB LEU 47 1HB LEU 47 2.997 -3.995 -10.694 345 HG LEU 47 HG LEU 47 2.581 -4.027 -13.135 346 1HD1 LEU 47 1HD1 LEU 47 3.291 -6.104 -11.499 347 2HD1 LEU 47 2HD1 LEU 47 1.978 -6.824 -12.460 348 3HD1 LEU 47 3HD1 LEU 47 3.388 -6.111 -13.277 349 1HD2 LEU 47 1HD2 LEU 47 0.013 -3.908 -12.758 350 2HD2 LEU 47 2HD2 LEU 47 0.655 -4.833 -14.137 351 3HD2 LEU 47 3HD2 LEU 47 0.116 -5.683 -12.668 352 H GLU 48 H GLU 48 1.995 -4.259 -7.657 353 HA GLU 48 HA GLU 48 3.485 -6.715 -7.589 354 1HB GLU 48 2HB GLU 48 4.030 -4.218 -6.637 355 2HB GLU 48 1HB GLU 48 3.362 -4.939 -5.186 356 1HG GLU 48 2HG GLU 48 5.822 -5.267 -5.297 357 2HG GLU 48 1HG GLU 48 4.978 -6.803 -5.316 358 H LEU 49 H LEU 49 0.402 -5.456 -6.569 359 HA LEU 49 HA LEU 49 0.124 -7.435 -4.464 360 1HB LEU 49 2HB LEU 49 -1.591 -5.163 -5.450 361 2HB LEU 49 1HB LEU 49 -2.170 -6.341 -4.290 362 HG LEU 49 HG LEU 49 0.110 -4.383 -3.942 363 1HD1 LEU 49 1HD1 LEU 49 -1.385 -3.073 -2.963 364 2HD1 LEU 49 2HD1 LEU 49 -2.664 -4.224 -3.415 365 3HD1 LEU 49 3HD1 LEU 49 -1.846 -4.376 -1.842 366 1HD2 LEU 49 1HD2 LEU 49 0.904 -6.369 -2.920 367 2HD2 LEU 49 2HD2 LEU 49 0.269 -5.344 -1.611 368 3HD2 LEU 49 3HD2 LEU 49 -0.686 -6.725 -2.202 369 H GLN 50 H GLN 50 -0.497 -6.983 -7.871 370 HA GLN 50 HA GLN 50 -2.450 -9.123 -7.823 371 1HB GLN 50 2HB GLN 50 -2.695 -6.897 -9.169 372 2HB GLN 50 1HB GLN 50 -1.543 -7.601 -10.287 373 1HG GLN 50 2HG GLN 50 -3.017 -9.289 -10.974 374 2HG GLN 50 1HG GLN 50 -3.893 -9.296 -9.457 375 1HE2 GLN 50 1HE2 GLN 50 -3.062 -6.992 -12.049 376 2HE2 GLN 50 2HE2 GLN 50 -4.636 -6.294 -12.235 377 H SER 51 H SER 51 0.598 -9.320 -7.339 378 HA SER 51 HA SER 51 1.030 -11.327 -9.407 379 1HB SER 51 2HB SER 51 2.886 -9.188 -8.367 380 2HB SER 51 1HB SER 51 3.577 -10.721 -8.861 381 HG SER 51 HG SER 51 1.901 -9.012 -10.497 382 H GLN 52 H GLN 52 2.311 -10.144 -6.204 383 HA GLN 52 HA GLN 52 2.920 -12.840 -5.477 384 1HB GLN 52 2HB GLN 52 3.159 -10.217 -3.940 385 2HB GLN 52 1HB GLN 52 3.730 -11.762 -3.343 386 1HG GLN 52 2HG GLN 52 4.642 -10.941 -6.091 387 2HG GLN 52 1HG GLN 52 5.318 -10.062 -4.733 388 1HE2 GLN 52 1HE2 GLN 52 7.143 -10.821 -4.018 389 2HE2 GLN 52 2HE2 GLN 52 7.667 -12.471 -3.997 390 H PHE 53 H PHE 53 0.286 -10.556 -5.121 391 HA PHE 53 HA PHE 53 -0.967 -12.399 -3.208 392 1HB PHE 53 2HB PHE 53 -1.597 -9.426 -3.576 393 2HB PHE 53 1HB PHE 53 -1.977 -10.426 -2.189 394 HD1 PHE 53 1HD PHE 53 0.985 -9.148 -4.067 395 HD2 PHE 53 2HD PHE 53 -0.640 -10.269 -0.310 396 HE1 PHE 53 1HE PHE 53 3.080 -8.364 -2.928 397 HE2 PHE 53 2HE PHE 53 1.455 -9.485 0.830 398 HZ PHE 53 HZ PHE 53 3.290 -8.542 -0.493 399 H GLY 54 H GLY 54 -0.918 -11.350 -6.384 400 1HA GLY 54 2HA GLY 54 -2.479 -11.106 -8.019 401 2HA GLY 54 1HA GLY 54 -3.049 -12.622 -7.350 402 H VAL 55 H VAL 55 -3.128 -9.245 -6.009 403 HA VAL 55 HA VAL 55 -5.799 -9.609 -5.115 404 HB VAL 55 HB VAL 55 -3.874 -8.179 -4.161 405 1HG1 VAL 55 1HG1 VAL 55 -4.970 -6.323 -6.294 406 2HG1 VAL 55 2HG1 VAL 55 -4.050 -5.761 -4.878 407 3HG1 VAL 55 3HG1 VAL 55 -3.287 -6.852 -6.060 408 1HG2 VAL 55 1HG2 VAL 55 -6.088 -6.363 -3.947 409 2HG2 VAL 55 2HG2 VAL 55 -6.705 -8.033 -3.975 410 3HG2 VAL 55 3HG2 VAL 55 -5.493 -7.551 -2.764 411 H ASP 56 H ASP 56 -7.573 -7.984 -5.722 412 HA ASP 56 HA ASP 56 -7.385 -7.415 -8.573 413 1HB ASP 56 2HB ASP 56 -9.330 -9.068 -7.080 414 2HB ASP 56 1HB ASP 56 -10.110 -7.830 -8.043 415 H ALA 57 H ALA 57 -6.744 -5.514 -6.597 416 HA ALA 57 HA ALA 57 -9.006 -4.077 -5.684 417 1HB ALA 57 1HB ALA 57 -7.109 -3.722 -4.395 418 2HB ALA 57 2HB ALA 57 -6.027 -3.675 -5.807 419 3HB ALA 57 3HB ALA 57 -7.071 -2.281 -5.439 420 HA PRO 58 HA PRO 58 -9.873 -1.782 -9.250 421 1HB PRO 58 2HB PRO 58 -11.248 0.324 -8.180 422 2HB PRO 58 1HB PRO 58 -11.974 -1.244 -8.476 423 1HG PRO 58 2HG PRO 58 -11.134 -0.046 -5.907 424 2HG PRO 58 1HG PRO 58 -12.224 -1.389 -6.188 425 1HD PRO 58 2HD PRO 58 -9.502 -1.545 -5.298 426 2HD PRO 58 1HD PRO 58 -10.555 -2.889 -5.689 427 H VAL 59 H VAL 59 -9.749 0.462 -10.301 428 HA VAL 59 HA VAL 59 -7.547 1.945 -9.099 429 HB VAL 59 HB VAL 59 -7.517 1.057 -11.984 430 1HG1 VAL 59 1HG1 VAL 59 -6.322 3.198 -11.205 431 2HG1 VAL 59 2HG1 VAL 59 -5.208 2.109 -10.344 432 3HG1 VAL 59 3HG1 VAL 59 -5.366 2.002 -12.113 433 1HG2 VAL 59 1HG2 VAL 59 -6.440 -0.269 -9.525 434 2HG2 VAL 59 2HG2 VAL 59 -7.108 -0.983 -11.013 435 3HG2 VAL 59 3HG2 VAL 59 -5.460 -0.311 -11.011 436 H SER 60 H SER 60 -9.992 1.641 -11.748 437 HA SER 60 HA SER 60 -10.040 4.079 -12.752 438 1HB SER 60 2HB SER 60 -12.584 3.813 -12.900 439 2HB SER 60 1HB SER 60 -11.633 2.486 -13.537 440 HG SER 60 HG SER 60 -11.916 1.691 -11.113 441 H GLU 61 H GLU 61 -10.946 3.164 -9.445 442 HA GLU 61 HA GLU 61 -10.794 5.822 -8.603 443 1HB GLU 61 2HB GLU 61 -13.367 5.056 -9.569 444 2HB GLU 61 1HB GLU 61 -13.497 5.096 -7.822 445 1HG GLU 61 2HG GLU 61 -12.763 7.391 -7.712 446 2HG GLU 61 1HG GLU 61 -12.189 7.370 -9.367 447 H PHE 62 H PHE 62 -9.210 4.308 -7.465 448 HA PHE 62 HA PHE 62 -10.377 2.531 -5.530 449 1HB PHE 62 2HB PHE 62 -7.934 2.193 -4.991 450 2HB PHE 62 1HB PHE 62 -8.221 2.060 -6.715 451 HD1 PHE 62 1HD PHE 62 -6.659 4.030 -4.081 452 HD2 PHE 62 2HD PHE 62 -7.475 3.828 -8.241 453 HE1 PHE 62 1HE PHE 62 -4.925 5.795 -4.508 454 HE2 PHE 62 2HE PHE 62 -5.742 5.593 -8.668 455 HZ PHE 62 HZ PHE 62 -4.487 6.555 -6.796 456 H ASP 63 H ASP 63 -11.088 3.149 -3.549 457 HA ASP 63 HA ASP 63 -11.113 5.666 -2.641 458 1HB ASP 63 2HB ASP 63 -11.608 3.025 -1.580 459 2HB ASP 63 1HB ASP 63 -10.758 3.940 -0.351 460 H ARG 64 H ARG 64 -9.140 6.862 -2.749 461 HA ARG 64 HA ARG 64 -6.671 5.906 -2.183 462 1HB ARG 64 2HB ARG 64 -7.925 8.660 -2.071 463 2HB ARG 64 1HB ARG 64 -6.278 8.472 -1.502 464 1HG ARG 64 2HG ARG 64 -5.610 7.482 -3.681 465 2HG ARG 64 1HG ARG 64 -7.263 7.582 -4.254 466 1HD ARG 64 2HD ARG 64 -5.908 9.487 -5.102 467 2HD ARG 64 1HD ARG 64 -7.217 10.053 -4.081 468 HE ARG 64 HE ARG 64 -5.001 9.664 -2.371 469 1HH1 ARG 64 2HH2 ARG 64 -5.818 11.679 -5.137 470 2HH1 ARG 64 1HH2 ARG 64 -4.775 12.978 -4.660 471 1HH2 ARG 64 2HH1 ARG 64 -3.626 11.377 -1.741 472 2HH2 ARG 64 1HH1 ARG 64 -3.520 12.805 -2.716 473 H LYS 65 H LYS 65 -9.294 6.747 0.001 474 HA LYS 65 HA LYS 65 -7.798 7.333 2.292 475 1HB LYS 65 2HB LYS 65 -10.013 7.997 2.397 476 2HB LYS 65 1HB LYS 65 -10.619 6.501 1.714 477 1HG LYS 65 2HG LYS 65 -10.718 5.461 3.753 478 2HG LYS 65 1HG LYS 65 -9.162 6.091 4.260 479 1HD LYS 65 2HD LYS 65 -11.545 7.958 4.091 480 2HD LYS 65 1HD LYS 65 -11.378 6.897 5.474 481 1HE LYS 65 2HE LYS 65 -9.894 8.343 6.395 482 2HE LYS 65 1HE LYS 65 -8.799 8.064 5.055 483 1HZ LYS 65 1HZ LYS 65 -11.019 9.857 4.585 484 2HZ LYS 65 2HZ LYS 65 -9.815 10.402 5.544 485 3HZ LYS 65 3HZ LYS 65 -9.490 9.924 4.017 486 H GLU 66 H GLU 66 -8.773 4.288 0.713 487 HA GLU 66 HA GLU 66 -7.802 2.799 2.979 488 1HB GLU 66 2HB GLU 66 -9.857 2.022 1.884 489 2HB GLU 66 1HB GLU 66 -9.044 1.927 0.334 490 1HG GLU 66 2HG GLU 66 -7.852 0.001 0.907 491 2HG GLU 66 1HG GLU 66 -7.823 0.389 2.616 492 H TRP 67 H TRP 67 -6.711 4.050 -0.089 493 HA TRP 67 HA TRP 67 -4.414 2.221 -0.038 494 1HB TRP 67 2HB TRP 67 -5.352 3.967 -2.317 495 2HB TRP 67 1HB TRP 67 -4.081 2.760 -2.357 496 HD1 TRP 67 HD TRP 67 -7.825 3.097 -2.754 497 HE1 TRP 67 1HE TRP 67 -8.988 0.793 -3.302 498 HE3 TRP 67 3HE TRP 67 -3.763 0.211 -1.742 499 HZ2 TRP 67 2HZ TRP 67 -8.098 -1.919 -3.251 500 HZ3 TRP 67 3HZ TRP 67 -3.995 -2.256 -2.016 501 HH2 TRP 67 HH TRP 67 -6.069 -3.327 -2.743 502 H ASP 68 H ASP 68 -5.049 4.652 1.711 503 HA ASP 68 HA ASP 68 -2.987 6.448 0.746 504 1HB ASP 68 2HB ASP 68 -4.787 7.787 1.369 505 2HB ASP 68 1HB ASP 68 -5.339 6.662 2.595 506 H THR 69 H THR 69 -3.821 4.023 3.174 507 HA THR 69 HA THR 69 -1.275 4.561 4.558 508 HB THR 69 HB THR 69 -2.737 3.310 6.461 509 HG1 THR 69 1HG THR 69 -4.960 3.835 6.087 510 1HG2 THR 69 1HG2 THR 69 -2.914 5.377 7.487 511 2HG2 THR 69 2HG2 THR 69 -1.922 5.925 6.115 512 3HG2 THR 69 3HG2 THR 69 -3.690 6.115 6.065 513 HA PRO 70 HA PRO 70 -0.178 0.504 3.709 514 1HB PRO 70 2HB PRO 70 1.335 -0.206 5.871 515 2HB PRO 70 1HB PRO 70 1.939 0.794 4.566 516 1HG PRO 70 2HG PRO 70 1.135 1.596 7.295 517 2HG PRO 70 1HG PRO 70 2.120 2.471 6.139 518 1HD PRO 70 2HD PRO 70 -0.628 2.981 6.787 519 2HD PRO 70 1HD PRO 70 0.323 3.778 5.550 520 H ASN 71 H ASN 71 -1.559 0.928 6.893 521 HA ASN 71 HA ASN 71 -2.089 -1.760 7.297 522 1HB ASN 71 2HB ASN 71 -2.800 0.822 8.517 523 2HB ASN 71 1HB ASN 71 -4.158 -0.284 8.577 524 1HD2 ASN 71 1HD2 ASN 71 -2.969 0.555 10.863 525 2HD2 ASN 71 2HD2 ASN 71 -2.108 -0.734 11.638 526 H LYS 72 H LYS 72 -4.248 0.993 6.248 527 HA LYS 72 HA LYS 72 -6.525 -0.439 5.760 528 1HB LYS 72 2HB LYS 72 -5.418 2.165 5.018 529 2HB LYS 72 1HB LYS 72 -6.487 1.525 3.787 530 1HG LYS 72 2HG LYS 72 -8.344 1.424 5.251 531 2HG LYS 72 1HG LYS 72 -7.342 1.380 6.687 532 1HD LYS 72 2HD LYS 72 -6.886 3.837 5.134 533 2HD LYS 72 1HD LYS 72 -8.575 3.658 5.565 534 1HE LYS 72 2HE LYS 72 -6.253 3.462 7.543 535 2HE LYS 72 1HE LYS 72 -7.241 4.890 7.309 536 1HZ LYS 72 1HZ LYS 72 -8.249 2.264 8.163 537 2HZ LYS 72 2HZ LYS 72 -8.020 3.555 9.137 538 3HZ LYS 72 3HZ LYS 72 -9.158 3.607 7.966 539 H ILE 73 H ILE 73 -3.534 -0.208 3.835 540 HA ILE 73 HA ILE 73 -4.728 -1.504 1.569 541 HB ILE 73 HB ILE 73 -1.989 -0.538 2.310 542 1HG1 ILE 73 2HG1 ILE 73 -4.057 0.160 0.226 543 2HG1 ILE 73 1HG1 ILE 73 -3.390 1.177 1.487 544 1HG2 ILE 73 1HG2 ILE 73 -1.716 -2.754 1.227 545 2HG2 ILE 73 2HG2 ILE 73 -2.623 -2.145 -0.178 546 3HG2 ILE 73 3HG2 ILE 73 -1.063 -1.408 0.262 547 1HD1 ILE 73 1HD1 ILE 73 -1.147 1.071 0.386 548 2HD1 ILE 73 2HD1 ILE 73 -1.850 0.071 -0.907 549 3HD1 ILE 73 3HD1 ILE 73 -2.388 1.754 -0.692 550 H ILE 74 H ILE 74 -2.249 -2.393 4.074 551 HA ILE 74 HA ILE 74 -1.797 -4.957 3.335 552 HB ILE 74 HB ILE 74 -1.643 -3.385 5.795 553 1HG1 ILE 74 2HG1 ILE 74 0.291 -5.544 5.140 554 2HG1 ILE 74 1HG1 ILE 74 0.115 -4.277 3.942 555 1HG2 ILE 74 1HG2 ILE 74 -2.985 -5.235 6.670 556 2HG2 ILE 74 2HG2 ILE 74 -1.814 -6.403 6.014 557 3HG2 ILE 74 3HG2 ILE 74 -1.322 -5.280 7.304 558 1HD1 ILE 74 1HD1 ILE 74 1.877 -3.894 5.791 559 2HD1 ILE 74 2HD1 ILE 74 0.738 -2.559 5.489 560 3HD1 ILE 74 3HD1 ILE 74 0.501 -3.631 6.890 561 H ALA 75 H ALA 75 -4.756 -3.562 4.647 562 HA ALA 75 HA ALA 75 -5.864 -6.100 5.392 563 1HB ALA 75 1HB ALA 75 -7.774 -4.821 6.026 564 2HB ALA 75 2HB ALA 75 -6.365 -3.810 6.425 565 3HB ALA 75 3HB ALA 75 -7.317 -3.470 4.960 566 H LYS 76 H LYS 76 -6.164 -3.748 2.664 567 HA LYS 76 HA LYS 76 -8.201 -5.008 1.303 568 1HB LYS 76 2HB LYS 76 -6.015 -3.110 0.639 569 2HB LYS 76 1HB LYS 76 -6.728 -3.962 -0.716 570 1HG LYS 76 2HG LYS 76 -8.288 -2.386 1.388 571 2HG LYS 76 1HG LYS 76 -7.915 -1.817 -0.227 572 1HD LYS 76 2HD LYS 76 -9.083 -4.300 -0.731 573 2HD LYS 76 1HD LYS 76 -9.991 -3.738 0.658 574 1HE LYS 76 2HE LYS 76 -10.740 -1.767 -0.470 575 2HE LYS 76 1HE LYS 76 -9.495 -1.884 -1.697 576 1HZ LYS 76 1HZ LYS 76 -11.397 -2.676 -2.703 577 2HZ LYS 76 2HZ LYS 76 -10.621 -4.054 -2.293 578 3HZ LYS 76 3HZ LYS 76 -11.888 -3.535 -1.404 579 H VAL 77 H VAL 77 -4.675 -5.697 1.383 580 HA VAL 77 HA VAL 77 -4.797 -7.640 -0.674 581 HB VAL 77 HB VAL 77 -2.793 -7.074 1.518 582 1HG1 VAL 77 1HG1 VAL 77 -2.144 -8.625 -0.978 583 2HG1 VAL 77 2HG1 VAL 77 -1.298 -8.588 0.589 584 3HG1 VAL 77 3HG1 VAL 77 -2.846 -9.456 0.431 585 1HG2 VAL 77 1HG2 VAL 77 -3.311 -5.325 -0.310 586 2HG2 VAL 77 2HG2 VAL 77 -1.610 -5.775 -0.037 587 3HG2 VAL 77 3HG2 VAL 77 -2.498 -6.452 -1.423 588 H GLU 78 H GLU 78 -5.183 -7.653 2.887 589 HA GLU 78 HA GLU 78 -5.046 -10.428 3.145 590 1HB GLU 78 2HB GLU 78 -6.295 -8.253 4.871 591 2HB GLU 78 1HB GLU 78 -6.277 -9.937 5.355 592 1HG GLU 78 2HG GLU 78 -3.621 -9.092 4.441 593 2HG GLU 78 1HG GLU 78 -4.203 -8.039 5.716 594 H GLN 79 H GLN 79 -7.689 -8.131 2.401 595 HA GLN 79 HA GLN 79 -9.608 -10.276 2.532 596 1HB GLN 79 2HB GLN 79 -11.279 -8.505 2.102 597 2HB GLN 79 1HB GLN 79 -10.233 -8.069 3.440 598 1HG GLN 79 2HG GLN 79 -8.837 -6.678 1.886 599 2HG GLN 79 1HG GLN 79 -9.901 -7.101 0.560 600 1HE2 GLN 79 1HE2 GLN 79 -9.837 -5.666 3.797 601 2HE2 GLN 79 2HE2 GLN 79 -11.128 -4.534 3.572 602 H ALA 80 H ALA 80 -7.441 -10.459 0.559 603 HA ALA 80 HA ALA 80 -9.103 -10.408 -1.860 604 1HB ALA 80 1HB ALA 80 -7.661 -8.576 -2.213 605 2HB ALA 80 2HB ALA 80 -6.283 -9.392 -1.436 606 3HB ALA 80 3HB ALA 80 -6.841 -9.921 -3.040 607 H GLN 81 H GLN 81 -6.172 -11.709 -0.174 608 HA GLN 81 HA GLN 81 -5.503 -13.716 -1.779 609 1HB GLN 81 2HB GLN 81 -5.752 -13.879 1.258 610 2HB GLN 81 1HB GLN 81 -4.781 -14.955 0.273 611 1HG GLN 81 2HG GLN 81 -4.370 -11.996 0.800 612 2HG GLN 81 1HG GLN 81 -3.235 -13.312 1.031 613 1HE2 GLN 81 1HE2 GLN 81 -4.675 -11.086 -1.187 614 2HE2 GLN 81 2HE2 GLN 81 -3.670 -11.397 -2.563 Start of MODEL 19 1 H ALA 2 H ALA 2 -0.082 -17.577 11.823 2 HA ALA 2 HA ALA 2 1.882 -17.427 10.150 3 1HB ALA 2 1HB ALA 2 0.120 -18.744 8.501 4 2HB ALA 2 2HB ALA 2 0.923 -19.470 9.912 5 3HB ALA 2 3HB ALA 2 -0.727 -18.821 10.065 6 H ASP 3 H ASP 3 1.448 -17.523 7.456 7 HA ASP 3 HA ASP 3 1.513 -16.185 5.737 8 1HB ASP 3 2HB ASP 3 -0.737 -14.663 5.643 9 2HB ASP 3 1HB ASP 3 -0.724 -16.371 5.253 10 H GLU 4 H GLU 4 3.321 -14.942 6.917 11 HA GLU 4 HA GLU 4 2.398 -12.242 7.527 12 1HB GLU 4 2HB GLU 4 3.756 -13.993 9.233 13 2HB GLU 4 1HB GLU 4 5.040 -12.970 8.621 14 1HG GLU 4 2HG GLU 4 4.372 -11.268 9.959 15 2HG GLU 4 1HG GLU 4 2.782 -11.275 9.222 16 H ALA 5 H ALA 5 4.018 -14.212 5.320 17 HA ALA 5 HA ALA 5 6.178 -12.466 4.668 18 1HB ALA 5 1HB ALA 5 6.385 -14.822 4.216 19 2HB ALA 5 2HB ALA 5 4.869 -14.836 3.284 20 3HB ALA 5 3HB ALA 5 6.297 -13.989 2.645 21 H ILE 6 H ILE 6 2.778 -12.367 4.233 22 HA ILE 6 HA ILE 6 2.955 -10.910 1.727 23 HB ILE 6 HB ILE 6 0.884 -12.322 3.255 24 1HG1 ILE 6 2HG1 ILE 6 1.316 -11.718 0.315 25 2HG1 ILE 6 1HG1 ILE 6 1.799 -13.176 1.159 26 1HG2 ILE 6 1HG2 ILE 6 -0.872 -10.867 1.945 27 2HG2 ILE 6 2HG2 ILE 6 -0.301 -10.381 3.559 28 3HG2 ILE 6 3HG2 ILE 6 0.372 -9.604 2.105 29 1HD1 ILE 6 1HD1 ILE 6 -0.233 -13.893 0.297 30 2HD1 ILE 6 2HD1 ILE 6 -0.802 -13.221 1.845 31 3HD1 ILE 6 3HD1 ILE 6 -0.950 -12.264 0.351 32 H LYS 7 H LYS 7 1.882 -10.414 5.155 33 HA LYS 7 HA LYS 7 1.297 -7.704 4.840 34 1HB LYS 7 2HB LYS 7 0.914 -9.540 6.788 35 2HB LYS 7 1HB LYS 7 2.266 -8.667 7.478 36 1HG LYS 7 2HG LYS 7 0.632 -6.608 6.517 37 2HG LYS 7 1HG LYS 7 -0.532 -7.789 7.082 38 1HD LYS 7 2HD LYS 7 1.341 -7.803 9.141 39 2HD LYS 7 1HD LYS 7 1.376 -6.126 8.635 40 1HE LYS 7 2HE LYS 7 -0.774 -5.713 9.363 41 2HE LYS 7 1HE LYS 7 -1.362 -7.287 8.866 42 1HZ LYS 7 1HZ LYS 7 -1.284 -7.742 11.017 43 2HZ LYS 7 2HZ LYS 7 0.336 -7.875 10.857 44 3HZ LYS 7 3HZ LYS 7 -0.320 -6.475 11.383 45 H ASN 8 H ASN 8 4.332 -9.475 5.541 46 HA ASN 8 HA ASN 8 5.768 -7.160 6.198 47 1HB ASN 8 2HB ASN 8 6.266 -9.800 6.502 48 2HB ASN 8 1HB ASN 8 7.121 -9.584 4.987 49 1HD2 ASN 8 1HD2 ASN 8 8.539 -10.344 7.102 50 2HD2 ASN 8 2HD2 ASN 8 9.551 -9.079 7.714 51 H GLY 9 H GLY 9 5.738 -9.354 3.278 52 1HA GLY 9 2HA GLY 9 7.432 -7.989 1.620 53 2HA GLY 9 1HA GLY 9 6.049 -8.925 1.089 54 H VAL 10 H VAL 10 3.871 -7.448 2.097 55 HA VAL 10 HA VAL 10 3.591 -5.490 0.156 56 HB VAL 10 HB VAL 10 2.139 -6.225 2.677 57 1HG1 VAL 10 1HG1 VAL 10 1.485 -3.887 0.856 58 2HG1 VAL 10 2HG1 VAL 10 0.352 -4.596 2.032 59 3HG1 VAL 10 3HG1 VAL 10 1.859 -3.832 2.595 60 1HG2 VAL 10 1HG2 VAL 10 1.348 -7.709 1.178 61 2HG2 VAL 10 2HG2 VAL 10 0.372 -6.345 0.582 62 3HG2 VAL 10 3HG2 VAL 10 1.909 -6.754 -0.215 63 H LEU 11 H LEU 11 4.099 -5.101 3.738 64 HA LEU 11 HA LEU 11 4.332 -2.348 3.691 65 1HB LEU 11 2HB LEU 11 4.406 -4.365 5.568 66 2HB LEU 11 1HB LEU 11 6.029 -3.711 5.649 67 HG LEU 11 HG LEU 11 3.422 -2.450 6.370 68 1HD1 LEU 11 1HD1 LEU 11 5.872 -3.207 7.666 69 2HD1 LEU 11 2HD1 LEU 11 5.584 -1.465 7.895 70 3HD1 LEU 11 3HD1 LEU 11 4.340 -2.645 8.378 71 1HD2 LEU 11 1HD2 LEU 11 3.962 -0.784 4.861 72 2HD2 LEU 11 2HD2 LEU 11 4.731 -0.200 6.355 73 3HD2 LEU 11 3HD2 LEU 11 5.714 -0.986 5.097 74 H ASP 12 H ASP 12 6.718 -4.927 2.995 75 HA ASP 12 HA ASP 12 8.933 -3.243 3.012 76 1HB ASP 12 2HB ASP 12 8.590 -5.920 2.849 77 2HB ASP 12 1HB ASP 12 8.793 -5.602 1.137 78 H ILE 13 H ILE 13 6.676 -4.440 0.435 79 HA ILE 13 HA ILE 13 8.031 -3.114 -1.672 80 HB ILE 13 HB ILE 13 5.527 -4.664 -1.310 81 1HG1 ILE 13 2HG1 ILE 13 7.262 -4.949 -3.694 82 2HG1 ILE 13 1HG1 ILE 13 8.040 -5.274 -2.158 83 1HG2 ILE 13 1HG2 ILE 13 4.801 -4.119 -3.626 84 2HG2 ILE 13 2HG2 ILE 13 4.629 -2.767 -2.481 85 3HG2 ILE 13 3HG2 ILE 13 5.978 -2.783 -3.641 86 1HD1 ILE 13 1HD1 ILE 13 5.712 -6.693 -3.450 87 2HD1 ILE 13 2HD1 ILE 13 7.145 -7.376 -2.646 88 3HD1 ILE 13 3HD1 ILE 13 5.826 -6.680 -1.673 89 H LEU 14 H LEU 14 6.112 -2.016 0.933 90 HA LEU 14 HA LEU 14 4.976 0.196 -0.548 91 1HB LEU 14 2HB LEU 14 4.482 -1.169 1.951 92 2HB LEU 14 1HB LEU 14 4.607 0.560 2.210 93 HG LEU 14 HG LEU 14 2.949 0.015 -0.103 94 1HD1 LEU 14 1HD1 LEU 14 1.982 -1.898 0.546 95 2HD1 LEU 14 2HD1 LEU 14 2.574 -1.752 2.218 96 3HD1 LEU 14 3HD1 LEU 14 1.110 -0.875 1.712 97 1HD2 LEU 14 1HD2 LEU 14 2.494 2.064 0.726 98 2HD2 LEU 14 2HD2 LEU 14 1.306 1.168 1.702 99 3HD2 LEU 14 3HD2 LEU 14 2.887 1.600 2.399 100 H ALA 15 H ALA 15 7.450 -0.427 2.015 101 HA ALA 15 HA ALA 15 8.189 2.291 2.233 102 1HB ALA 15 1HB ALA 15 8.946 -0.315 3.329 103 2HB ALA 15 2HB ALA 15 10.361 0.728 3.046 104 3HB ALA 15 3HB ALA 15 9.027 1.300 4.075 105 H ASP 16 H ASP 16 9.022 -0.371 0.044 106 HA ASP 16 HA ASP 16 11.416 0.771 -0.861 107 1HB ASP 16 2HB ASP 16 10.113 -1.646 -1.185 108 2HB ASP 16 1HB ASP 16 9.841 -0.915 -2.753 109 H LEU 17 H LEU 17 7.948 0.856 -1.849 110 HA LEU 17 HA LEU 17 8.352 2.194 -4.290 111 1HB LEU 17 2HB LEU 17 6.230 1.051 -2.858 112 2HB LEU 17 1HB LEU 17 5.797 2.738 -3.048 113 HG LEU 17 HG LEU 17 6.433 0.756 -5.245 114 1HD1 LEU 17 1HD1 LEU 17 4.218 0.587 -5.639 115 2HD1 LEU 17 2HD1 LEU 17 4.098 1.062 -3.928 116 3HD1 LEU 17 3HD1 LEU 17 3.896 2.283 -5.207 117 1HD2 LEU 17 1HD2 LEU 17 5.559 2.903 -6.606 118 2HD2 LEU 17 2HD2 LEU 17 6.404 3.723 -5.271 119 3HD2 LEU 17 3HD2 LEU 17 7.280 2.566 -6.301 120 H THR 18 H THR 18 7.436 3.354 -0.976 121 HA THR 18 HA THR 18 7.333 6.063 -1.670 122 HB THR 18 HB THR 18 7.371 6.363 0.788 123 HG1 THR 18 1HG THR 18 8.188 4.605 2.039 124 1HG2 THR 18 1HG2 THR 18 5.281 5.437 0.814 125 2HG2 THR 18 2HG2 THR 18 5.709 4.336 -0.517 126 3HG2 THR 18 3HG2 THR 18 6.050 3.870 1.167 127 H GLY 19 H GLY 19 10.056 3.931 -0.768 128 1HA GLY 19 2HA GLY 19 12.250 4.289 -1.345 129 2HA GLY 19 1HA GLY 19 11.890 5.950 -1.771 130 H SER 20 H SER 20 10.496 5.023 1.262 131 HA SER 20 HA SER 20 12.841 6.003 2.673 132 1HB SER 20 2HB SER 20 11.023 7.804 2.267 133 2HB SER 20 1HB SER 20 10.021 6.895 3.381 134 HG SER 20 HG SER 20 11.048 8.345 4.697 135 H ASP 21 H ASP 21 13.022 5.212 4.883 136 HA ASP 21 HA ASP 21 11.515 2.776 5.225 137 1HB ASP 21 2HB ASP 21 13.247 2.809 7.332 138 2HB ASP 21 1HB ASP 21 13.666 2.181 5.750 139 H ASP 22 H ASP 22 9.707 4.697 5.631 140 HA ASP 22 HA ASP 22 9.786 5.289 8.483 141 1HB ASP 22 2HB ASP 22 9.456 7.047 6.395 142 2HB ASP 22 1HB ASP 22 7.782 6.642 6.719 143 H VAL 23 H VAL 23 7.910 4.049 5.678 144 HA VAL 23 HA VAL 23 5.547 3.548 7.199 145 HB VAL 23 HB VAL 23 5.616 4.066 4.774 146 1HG1 VAL 23 1HG1 VAL 23 6.138 2.157 3.214 147 2HG1 VAL 23 2HG1 VAL 23 7.551 2.858 4.040 148 3HG1 VAL 23 3HG1 VAL 23 6.871 1.311 4.598 149 1HG2 VAL 23 1HG2 VAL 23 4.300 1.526 4.511 150 2HG2 VAL 23 2HG2 VAL 23 4.021 2.159 6.151 151 3HG2 VAL 23 3HG2 VAL 23 3.588 3.142 4.732 152 H LYS 24 H LYS 24 8.486 1.753 6.228 153 HA LYS 24 HA LYS 24 7.820 -0.809 6.590 154 1HB LYS 24 2HB LYS 24 10.057 -0.095 6.013 155 2HB LYS 24 1HB LYS 24 10.292 0.629 7.591 156 1HG LYS 24 2HG LYS 24 9.508 -2.277 7.520 157 2HG LYS 24 1HG LYS 24 11.133 -1.877 7.004 158 1HD LYS 24 2HD LYS 24 11.600 -0.750 9.139 159 2HD LYS 24 1HD LYS 24 9.934 -0.935 9.649 160 1HE LYS 24 2HE LYS 24 10.876 -2.767 10.735 161 2HE LYS 24 1HE LYS 24 10.412 -3.531 9.228 162 1HZ LYS 24 1HZ LYS 24 12.546 -3.623 8.540 163 2HZ LYS 24 2HZ LYS 24 13.021 -2.282 9.341 164 3HZ LYS 24 3HZ LYS 24 12.825 -3.688 10.148 165 H LYS 25 H LYS 25 7.907 1.721 9.079 166 HA LYS 25 HA LYS 25 7.233 -0.321 11.074 167 1HB LYS 25 2HB LYS 25 8.986 0.718 12.068 168 2HB LYS 25 1HB LYS 25 8.788 2.198 11.152 169 1HG LYS 25 2HG LYS 25 8.271 2.450 13.614 170 2HG LYS 25 1HG LYS 25 6.953 2.935 12.565 171 1HD LYS 25 2HD LYS 25 5.640 1.529 13.778 172 2HD LYS 25 1HD LYS 25 6.446 0.215 12.945 173 1HE LYS 25 2HE LYS 25 8.236 0.253 14.762 174 2HE LYS 25 1HE LYS 25 7.268 1.434 15.622 175 1HZ LYS 25 1HZ LYS 25 5.649 -0.100 16.034 176 2HZ LYS 25 2HZ LYS 25 6.030 -1.058 14.767 177 3HZ LYS 25 3HZ LYS 25 6.973 -1.053 16.100 178 H ASN 26 H ASN 26 6.486 3.190 10.489 179 HA ASN 26 HA ASN 26 4.214 3.369 11.820 180 1HB ASN 26 2HB ASN 26 5.434 5.072 10.209 181 2HB ASN 26 1HB ASN 26 4.340 4.469 8.981 182 1HD2 ASN 26 1HD2 ASN 26 4.757 6.481 11.697 183 2HD2 ASN 26 2HD2 ASN 26 3.144 7.093 11.850 184 H LEU 27 H LEU 27 1.913 3.003 11.361 185 HA LEU 27 HA LEU 27 1.413 1.256 9.057 186 1HB LEU 27 2HB LEU 27 0.145 0.877 11.764 187 2HB LEU 27 1HB LEU 27 0.044 -0.174 10.366 188 HG LEU 27 HG LEU 27 2.705 0.362 11.667 189 1HD1 LEU 27 1HD1 LEU 27 0.722 -1.750 12.560 190 2HD1 LEU 27 2HD1 LEU 27 2.395 -1.554 13.136 191 3HD1 LEU 27 3HD1 LEU 27 1.183 -0.296 13.478 192 1HD2 LEU 27 1HD2 LEU 27 1.930 -1.073 9.424 193 2HD2 LEU 27 2HD2 LEU 27 3.478 -1.209 10.292 194 3HD2 LEU 27 3HD2 LEU 27 2.142 -2.321 10.676 195 H ASP 28 H ASP 28 1.077 4.263 9.963 196 HA ASP 28 HA ASP 28 -1.551 4.426 8.814 197 1HB ASP 28 2HB ASP 28 -1.007 4.891 11.643 198 2HB ASP 28 1HB ASP 28 -1.525 6.387 10.893 199 H LEU 29 H LEU 29 1.261 5.016 8.010 200 HA LEU 29 HA LEU 29 1.567 7.867 8.241 201 1HB LEU 29 2HB LEU 29 3.381 6.020 8.204 202 2HB LEU 29 1HB LEU 29 3.167 6.050 6.465 203 HG LEU 29 HG LEU 29 3.576 8.618 6.692 204 1HD1 LEU 29 1HD1 LEU 29 3.769 7.882 9.403 205 2HD1 LEU 29 2HD1 LEU 29 5.425 8.257 8.871 206 3HD1 LEU 29 3HD1 LEU 29 4.130 9.462 8.667 207 1HD2 LEU 29 1HD2 LEU 29 5.057 7.087 5.512 208 2HD2 LEU 29 2HD2 LEU 29 5.994 8.275 6.448 209 3HD2 LEU 29 3HD2 LEU 29 5.817 6.607 7.048 210 H ASN 30 H ASN 30 -0.110 8.934 7.214 211 HA ASN 30 HA ASN 30 -1.518 8.244 5.102 212 1HB ASN 30 2HB ASN 30 -0.777 10.736 6.377 213 2HB ASN 30 1HB ASN 30 -0.767 11.005 4.646 214 1HD2 ASN 30 1HD2 ASN 30 -2.697 9.130 6.989 215 2HD2 ASN 30 2HD2 ASN 30 -4.259 9.649 6.448 216 H LEU 31 H LEU 31 -0.430 7.054 3.433 217 HA LEU 31 HA LEU 31 2.025 7.660 2.355 218 1HB LEU 31 2HB LEU 31 -0.325 6.401 0.936 219 2HB LEU 31 1HB LEU 31 1.365 6.251 0.500 220 HG LEU 31 HG LEU 31 0.176 5.246 3.099 221 1HD1 LEU 31 1HD1 LEU 31 0.954 3.603 0.679 222 2HD1 LEU 31 2HD1 LEU 31 0.174 3.044 2.178 223 3HD1 LEU 31 3HD1 LEU 31 -0.714 4.100 1.055 224 1HD2 LEU 31 1HD2 LEU 31 2.869 5.692 2.297 225 2HD2 LEU 31 2HD2 LEU 31 2.258 4.942 3.791 226 3HD2 LEU 31 3HD2 LEU 31 2.600 3.934 2.365 227 H PHE 32 H PHE 32 -1.029 9.321 2.033 228 HA PHE 32 HA PHE 32 -0.211 10.635 -0.412 229 1HB PHE 32 2HB PHE 32 -2.618 10.288 1.344 230 2HB PHE 32 1HB PHE 32 -2.495 11.890 0.643 231 HD1 PHE 32 1HD PHE 32 -2.778 12.234 -1.732 232 HD2 PHE 32 2HD PHE 32 -2.933 8.325 -0.089 233 HE1 PHE 32 1HE PHE 32 -3.771 11.374 -3.871 234 HE2 PHE 32 2HE PHE 32 -3.925 7.465 -2.228 235 HZ PHE 32 HZ PHE 32 -4.332 8.999 -4.093 236 H GLU 33 H GLU 33 -1.191 11.637 2.950 237 HA GLU 33 HA GLU 33 -0.456 14.263 2.647 238 1HB GLU 33 2HB GLU 33 -1.731 12.933 4.571 239 2HB GLU 33 1HB GLU 33 -0.145 12.878 5.313 240 1HG GLU 33 2HG GLU 33 -0.320 15.040 5.973 241 2HG GLU 33 1HG GLU 33 -0.603 15.565 4.325 242 H THR 34 H THR 34 1.511 11.413 2.878 243 HA THR 34 HA THR 34 3.827 12.866 3.871 244 HB THR 34 HB THR 34 4.849 10.560 3.732 245 HG1 THR 34 1HG THR 34 3.705 9.114 2.494 246 1HG2 THR 34 1HG2 THR 34 2.705 9.421 5.034 247 2HG2 THR 34 2HG2 THR 34 3.867 10.510 5.829 248 3HG2 THR 34 3HG2 THR 34 2.321 11.149 5.221 249 H GLY 35 H GLY 35 2.275 12.118 0.859 250 1HA GLY 35 2HA GLY 35 2.846 12.817 -1.219 251 2HA GLY 35 1HA GLY 35 4.321 13.516 -0.582 252 H LEU 36 H LEU 36 4.263 10.399 0.638 253 HA LEU 36 HA LEU 36 6.412 9.522 -0.843 254 1HB LEU 36 2HB LEU 36 4.344 8.040 0.776 255 2HB LEU 36 1HB LEU 36 5.743 7.254 0.069 256 HG LEU 36 HG LEU 36 5.783 9.472 2.133 257 1HD1 LEU 36 1HD1 LEU 36 7.005 6.833 2.685 258 2HD1 LEU 36 2HD1 LEU 36 6.079 7.922 3.745 259 3HD1 LEU 36 3HD1 LEU 36 5.228 6.870 2.588 260 1HD2 LEU 36 1HD2 LEU 36 7.891 8.395 0.364 261 2HD2 LEU 36 2HD2 LEU 36 7.768 9.965 1.195 262 3HD2 LEU 36 3HD2 LEU 36 8.322 8.527 2.087 263 H LEU 37 H LEU 37 2.885 9.096 -1.378 264 HA LEU 37 HA LEU 37 3.576 7.930 -3.986 265 1HB LEU 37 2HB LEU 37 2.145 6.744 -1.928 266 2HB LEU 37 1HB LEU 37 0.896 7.344 -3.001 267 HG LEU 37 HG LEU 37 1.719 4.952 -3.349 268 1HD1 LEU 37 1HD1 LEU 37 0.629 5.180 -5.265 269 2HD1 LEU 37 2HD1 LEU 37 0.842 6.945 -5.171 270 3HD1 LEU 37 3HD1 LEU 37 2.054 5.947 -6.009 271 1HD2 LEU 37 1HD2 LEU 37 3.796 4.469 -4.048 272 2HD2 LEU 37 2HD2 LEU 37 3.899 5.911 -5.086 273 3HD2 LEU 37 3HD2 LEU 37 4.209 6.049 -3.339 274 H ASP 38 H ASP 38 2.429 8.697 -5.810 275 HA ASP 38 HA ASP 38 1.062 11.206 -5.252 276 1HB ASP 38 2HB ASP 38 3.202 10.719 -6.917 277 2HB ASP 38 1HB ASP 38 1.878 10.520 -8.047 278 H SER 39 H SER 39 1.151 8.430 -7.625 279 HA SER 39 HA SER 39 -1.483 7.745 -7.300 280 1HB SER 39 2HB SER 39 -2.525 8.617 -9.375 281 2HB SER 39 1HB SER 39 -2.062 9.916 -8.293 282 HG SER 39 HG SER 39 -0.481 10.573 -9.656 283 H MET 40 H MET 40 1.305 8.138 -9.530 284 HA MET 40 HA MET 40 0.639 5.945 -11.143 285 1HB MET 40 2HB MET 40 2.200 7.830 -11.775 286 2HB MET 40 1HB MET 40 3.345 7.277 -10.570 287 1HG MET 40 2HG MET 40 4.029 6.426 -12.767 288 2HG MET 40 1HG MET 40 3.532 5.077 -11.765 289 1HE MET 40 1HE MET 40 2.711 7.561 -14.449 290 2HE MET 40 2HE MET 40 1.278 6.929 -15.293 291 3HE MET 40 3HE MET 40 1.098 7.737 -13.718 292 H GLY 41 H GLY 41 2.729 6.382 -8.237 293 1HA GLY 41 2HA GLY 41 4.012 3.937 -8.190 294 2HA GLY 41 1HA GLY 41 3.580 4.892 -6.785 295 H THR 42 H THR 42 0.658 4.820 -7.229 296 HA THR 42 HA THR 42 0.075 2.462 -5.832 297 HB THR 42 HB THR 42 -1.286 4.852 -6.907 298 HG1 THR 42 1HG THR 42 -1.575 2.859 -4.774 299 1HG2 THR 42 1HG2 THR 42 -2.640 2.131 -6.990 300 2HG2 THR 42 2HG2 THR 42 -3.566 3.568 -6.493 301 3HG2 THR 42 3HG2 THR 42 -2.828 3.501 -8.111 302 H VAL 43 H VAL 43 0.004 3.262 -9.321 303 HA VAL 43 HA VAL 43 -1.390 0.949 -10.093 304 HB VAL 43 HB VAL 43 0.553 2.743 -11.560 305 1HG1 VAL 43 1HG1 VAL 43 0.538 0.830 -12.890 306 2HG1 VAL 43 2HG1 VAL 43 -1.156 0.448 -12.502 307 3HG1 VAL 43 3HG1 VAL 43 -0.776 1.804 -13.591 308 1HG2 VAL 43 1HG2 VAL 43 -2.296 2.875 -12.248 309 2HG2 VAL 43 2HG2 VAL 43 -1.958 3.331 -10.561 310 3HG2 VAL 43 3HG2 VAL 43 -1.139 4.181 -11.894 311 H GLN 44 H GLN 44 2.064 1.684 -9.467 312 HA GLN 44 HA GLN 44 2.963 -0.758 -10.537 313 1HB GLN 44 2HB GLN 44 4.374 1.302 -10.293 314 2HB GLN 44 1HB GLN 44 4.327 1.115 -8.550 315 1HG GLN 44 2HG GLN 44 5.740 -0.739 -8.560 316 2HG GLN 44 1HG GLN 44 5.202 -1.284 -10.137 317 1HE2 GLN 44 1HE2 GLN 44 7.516 0.456 -8.367 318 2HE2 GLN 44 2HE2 GLN 44 8.474 1.076 -9.670 319 H LEU 45 H LEU 45 2.546 0.473 -7.138 320 HA LEU 45 HA LEU 45 3.295 -1.788 -5.804 321 1HB LEU 45 2HB LEU 45 2.815 -0.464 -4.119 322 2HB LEU 45 1HB LEU 45 2.072 0.672 -5.227 323 HG LEU 45 HG LEU 45 -0.100 -0.504 -4.948 324 1HD1 LEU 45 1HD1 LEU 45 -0.065 -2.601 -4.204 325 2HD1 LEU 45 2HD1 LEU 45 1.585 -2.429 -3.560 326 3HD1 LEU 45 3HD1 LEU 45 0.190 -1.921 -2.578 327 1HD2 LEU 45 1HD2 LEU 45 1.308 1.095 -2.988 328 2HD2 LEU 45 2HD2 LEU 45 -0.394 1.159 -3.506 329 3HD2 LEU 45 3HD2 LEU 45 0.100 0.043 -2.211 330 H LEU 46 H LEU 46 0.321 -1.131 -7.639 331 HA LEU 46 HA LEU 46 -1.116 -3.332 -6.568 332 1HB LEU 46 2HB LEU 46 -1.448 -1.416 -8.837 333 2HB LEU 46 1HB LEU 46 -2.419 -2.876 -8.813 334 HG LEU 46 HG LEU 46 -2.322 -0.845 -6.567 335 1HD1 LEU 46 1HD1 LEU 46 -3.535 -0.566 -9.074 336 2HD1 LEU 46 2HD1 LEU 46 -4.850 -1.019 -7.964 337 3HD1 LEU 46 3HD1 LEU 46 -3.836 0.401 -7.610 338 1HD2 LEU 46 1HD2 LEU 46 -4.119 -3.240 -7.031 339 2HD2 LEU 46 2HD2 LEU 46 -2.894 -3.048 -5.753 340 3HD2 LEU 46 3HD2 LEU 46 -4.345 -2.016 -5.758 341 H LEU 47 H LEU 47 1.193 -2.828 -9.240 342 HA LEU 47 HA LEU 47 0.660 -5.200 -10.613 343 1HB LEU 47 2HB LEU 47 2.199 -3.020 -11.023 344 2HB LEU 47 1HB LEU 47 3.434 -4.170 -10.552 345 HG LEU 47 HG LEU 47 3.099 -4.001 -13.003 346 1HD1 LEU 47 1HD1 LEU 47 2.357 -6.754 -11.990 347 2HD1 LEU 47 2HD1 LEU 47 3.273 -6.329 -13.457 348 3HD1 LEU 47 3HD1 LEU 47 3.988 -6.054 -11.850 349 1HD2 LEU 47 1HD2 LEU 47 1.151 -4.615 -14.110 350 2HD2 LEU 47 2HD2 LEU 47 0.494 -5.475 -12.697 351 3HD2 LEU 47 3HD2 LEU 47 0.546 -3.696 -12.711 352 H GLU 48 H GLU 48 2.726 -4.436 -7.778 353 HA GLU 48 HA GLU 48 3.800 -7.069 -7.749 354 1HB GLU 48 2HB GLU 48 4.321 -4.534 -6.450 355 2HB GLU 48 1HB GLU 48 4.185 -5.776 -5.222 356 1HG GLU 48 2HG GLU 48 6.000 -5.889 -7.679 357 2HG GLU 48 1HG GLU 48 6.522 -5.580 -6.034 358 H LEU 49 H LEU 49 1.003 -5.384 -6.427 359 HA LEU 49 HA LEU 49 0.541 -7.371 -4.393 360 1HB LEU 49 2HB LEU 49 -0.757 -4.836 -5.286 361 2HB LEU 49 1HB LEU 49 -1.708 -5.987 -4.370 362 HG LEU 49 HG LEU 49 0.757 -4.481 -3.507 363 1HD1 LEU 49 1HD1 LEU 49 -1.890 -4.783 -2.085 364 2HD1 LEU 49 2HD1 LEU 49 -0.609 -3.580 -1.807 365 3HD1 LEU 49 3HD1 LEU 49 -1.583 -3.515 -3.295 366 1HD2 LEU 49 1HD2 LEU 49 1.315 -6.610 -2.721 367 2HD2 LEU 49 2HD2 LEU 49 0.510 -5.832 -1.338 368 3HD2 LEU 49 3HD2 LEU 49 -0.373 -7.016 -2.332 369 H GLN 50 H GLN 50 0.172 -7.172 -7.767 370 HA GLN 50 HA GLN 50 -2.083 -9.016 -7.648 371 1HB GLN 50 2HB GLN 50 -2.365 -6.874 -8.981 372 2HB GLN 50 1HB GLN 50 -1.095 -7.425 -10.055 373 1HG GLN 50 2HG GLN 50 -3.007 -9.576 -9.724 374 2HG GLN 50 1HG GLN 50 -3.887 -8.112 -10.113 375 1HE2 GLN 50 1HE2 GLN 50 -4.253 -7.887 -12.171 376 2HE2 GLN 50 2HE2 GLN 50 -3.210 -8.321 -13.485 377 H SER 51 H SER 51 1.036 -9.329 -7.350 378 HA SER 51 HA SER 51 1.235 -11.406 -9.391 379 1HB SER 51 2HB SER 51 2.857 -9.242 -9.302 380 2HB SER 51 1HB SER 51 3.721 -10.252 -8.160 381 HG SER 51 HG SER 51 3.142 -11.869 -10.205 382 H GLN 52 H GLN 52 2.624 -10.357 -6.186 383 HA GLN 52 HA GLN 52 3.059 -13.096 -5.499 384 1HB GLN 52 2HB GLN 52 3.491 -10.498 -3.964 385 2HB GLN 52 1HB GLN 52 3.916 -12.078 -3.335 386 1HG GLN 52 2HG GLN 52 4.934 -11.455 -6.083 387 2HG GLN 52 1HG GLN 52 5.634 -10.513 -4.781 388 1HE2 GLN 52 1HE2 GLN 52 7.137 -11.368 -3.516 389 2HE2 GLN 52 2HE2 GLN 52 7.663 -13.018 -3.521 390 H PHE 53 H PHE 53 0.572 -10.663 -5.112 391 HA PHE 53 HA PHE 53 -0.768 -12.424 -3.181 392 1HB PHE 53 2HB PHE 53 -1.280 -9.438 -3.612 393 2HB PHE 53 1HB PHE 53 -1.684 -10.391 -2.198 394 HD1 PHE 53 1HD PHE 53 1.272 -9.184 -4.122 395 HD2 PHE 53 2HD PHE 53 -0.289 -10.327 -0.345 396 HE1 PHE 53 1HE PHE 53 3.405 -8.455 -3.019 397 HE2 PHE 53 2HE PHE 53 1.844 -9.597 0.758 398 HZ PHE 53 HZ PHE 53 3.665 -8.670 -0.592 399 H GLY 54 H GLY 54 -0.698 -11.278 -6.369 400 1HA GLY 54 2HA GLY 54 -2.259 -11.014 -7.995 401 2HA GLY 54 1HA GLY 54 -2.847 -12.534 -7.351 402 H VAL 55 H VAL 55 -2.869 -9.214 -5.886 403 HA VAL 55 HA VAL 55 -5.626 -9.576 -5.168 404 HB VAL 55 HB VAL 55 -3.635 -8.417 -3.910 405 1HG1 VAL 55 1HG1 VAL 55 -4.760 -6.131 -5.564 406 2HG1 VAL 55 2HG1 VAL 55 -3.693 -5.949 -4.151 407 3HG1 VAL 55 3HG1 VAL 55 -3.099 -6.768 -5.616 408 1HG2 VAL 55 1HG2 VAL 55 -5.313 -8.161 -2.465 409 2HG2 VAL 55 2HG2 VAL 55 -5.793 -6.670 -3.311 410 3HG2 VAL 55 3HG2 VAL 55 -6.499 -8.232 -3.790 411 H ASP 56 H ASP 56 -7.239 -7.761 -5.650 412 HA ASP 56 HA ASP 56 -6.731 -6.681 -8.301 413 1HB ASP 56 2HB ASP 56 -8.161 -8.646 -8.610 414 2HB ASP 56 1HB ASP 56 -9.228 -8.132 -7.319 415 H ALA 57 H ALA 57 -6.879 -4.448 -8.040 416 HA ALA 57 HA ALA 57 -9.037 -3.449 -6.323 417 1HB ALA 57 1HB ALA 57 -6.184 -2.387 -6.421 418 2HB ALA 57 2HB ALA 57 -7.518 -1.756 -5.425 419 3HB ALA 57 3HB ALA 57 -6.862 -3.379 -5.107 420 HA PRO 58 HA PRO 58 -9.813 -0.927 -9.750 421 1HB PRO 58 2HB PRO 58 -11.243 1.104 -8.612 422 2HB PRO 58 1HB PRO 58 -11.942 -0.452 -9.012 423 1HG PRO 58 2HG PRO 58 -11.191 0.616 -6.359 424 2HG PRO 58 1HG PRO 58 -12.257 -0.721 -6.742 425 1HD PRO 58 2HD PRO 58 -9.561 -0.897 -5.782 426 2HD PRO 58 1HD PRO 58 -10.586 -2.230 -6.275 427 H VAL 59 H VAL 59 -9.963 1.674 -10.298 428 HA VAL 59 HA VAL 59 -7.744 3.011 -9.072 429 HB VAL 59 HB VAL 59 -7.576 2.049 -11.933 430 1HG1 VAL 59 1HG1 VAL 59 -5.477 3.710 -10.538 431 2HG1 VAL 59 2HG1 VAL 59 -5.697 3.401 -12.277 432 3HG1 VAL 59 3HG1 VAL 59 -6.826 4.473 -11.415 433 1HG2 VAL 59 1HG2 VAL 59 -5.399 1.061 -11.096 434 2HG2 VAL 59 2HG2 VAL 59 -5.956 1.432 -9.446 435 3HG2 VAL 59 3HG2 VAL 59 -6.880 0.303 -10.465 436 H SER 60 H SER 60 -10.101 2.782 -11.797 437 HA SER 60 HA SER 60 -10.198 5.234 -12.726 438 1HB SER 60 2HB SER 60 -12.068 3.069 -12.441 439 2HB SER 60 1HB SER 60 -12.936 4.554 -12.110 440 HG SER 60 HG SER 60 -11.555 5.215 -14.219 441 H GLU 61 H GLU 61 -11.197 4.219 -9.453 442 HA GLU 61 HA GLU 61 -10.861 6.714 -8.384 443 1HB GLU 61 2HB GLU 61 -13.268 6.663 -9.818 444 2HB GLU 61 1HB GLU 61 -13.780 6.383 -8.166 445 1HG GLU 61 2HG GLU 61 -12.886 8.443 -7.394 446 2HG GLU 61 1HG GLU 61 -11.785 8.589 -8.750 447 H PHE 62 H PHE 62 -9.850 4.555 -7.396 448 HA PHE 62 HA PHE 62 -11.525 2.934 -5.832 449 1HB PHE 62 2HB PHE 62 -9.145 2.574 -4.694 450 2HB PHE 62 1HB PHE 62 -9.350 2.088 -6.365 451 HD1 PHE 62 1HD PHE 62 -9.037 5.591 -5.221 452 HD2 PHE 62 2HD PHE 62 -7.096 2.297 -7.064 453 HE1 PHE 62 1HE PHE 62 -7.135 7.085 -5.889 454 HE2 PHE 62 2HE PHE 62 -5.194 3.792 -7.732 455 HZ PHE 62 HZ PHE 62 -5.236 6.168 -7.137 456 H ASP 63 H ASP 63 -10.474 2.796 -3.288 457 HA ASP 63 HA ASP 63 -11.509 5.259 -2.200 458 1HB ASP 63 2HB ASP 63 -10.781 3.423 -0.129 459 2HB ASP 63 1HB ASP 63 -12.394 3.856 -0.659 460 H ARG 64 H ARG 64 -9.676 6.696 -2.409 461 HA ARG 64 HA ARG 64 -7.085 6.041 -2.018 462 1HB ARG 64 2HB ARG 64 -8.710 8.530 -1.935 463 2HB ARG 64 1HB ARG 64 -7.220 8.645 -1.019 464 1HG ARG 64 2HG ARG 64 -5.952 7.813 -3.040 465 2HG ARG 64 1HG ARG 64 -7.451 7.803 -3.947 466 1HD ARG 64 2HD ARG 64 -6.107 9.895 -4.322 467 2HD ARG 64 1HD ARG 64 -7.707 10.227 -3.690 468 HE ARG 64 HE ARG 64 -5.764 9.916 -1.549 469 1HH1 ARG 64 2HH2 ARG 64 -6.989 12.189 -3.940 470 2HH1 ARG 64 1HH2 ARG 64 -6.516 13.590 -3.037 471 1HH2 ARG 64 2HH1 ARG 64 -5.139 11.764 -0.359 472 2HH2 ARG 64 1HH1 ARG 64 -5.457 13.347 -0.987 473 H LYS 65 H LYS 65 -9.662 6.524 0.358 474 HA LYS 65 HA LYS 65 -8.052 7.060 2.593 475 1HB LYS 65 2HB LYS 65 -10.113 6.248 3.844 476 2HB LYS 65 1HB LYS 65 -10.328 7.611 2.763 477 1HG LYS 65 2HG LYS 65 -10.717 5.204 1.220 478 2HG LYS 65 1HG LYS 65 -11.650 5.044 2.695 479 1HD LYS 65 2HD LYS 65 -13.014 6.137 0.960 480 2HD LYS 65 1HD LYS 65 -12.720 7.256 2.276 481 1HE LYS 65 2HE LYS 65 -10.709 8.134 0.908 482 2HE LYS 65 1HE LYS 65 -11.324 7.189 -0.435 483 1HZ LYS 65 1HZ LYS 65 -12.542 8.982 -0.823 484 2HZ LYS 65 2HZ LYS 65 -13.499 8.500 0.410 485 3HZ LYS 65 3HZ LYS 65 -12.331 9.613 0.670 486 H GLU 66 H GLU 66 -8.921 4.095 0.841 487 HA GLU 66 HA GLU 66 -7.853 2.481 2.968 488 1HB GLU 66 2HB GLU 66 -9.856 1.701 1.758 489 2HB GLU 66 1HB GLU 66 -8.993 1.751 0.235 490 1HG GLU 66 2HG GLU 66 -7.849 -0.206 0.655 491 2HG GLU 66 1HG GLU 66 -7.645 0.152 2.358 492 H TRP 67 H TRP 67 -6.854 3.993 -0.037 493 HA TRP 67 HA TRP 67 -4.425 2.343 -0.066 494 1HB TRP 67 2HB TRP 67 -5.396 4.180 -2.251 495 2HB TRP 67 1HB TRP 67 -4.139 2.962 -2.341 496 HD1 TRP 67 HD TRP 67 -7.883 3.357 -2.737 497 HE1 TRP 67 1HE TRP 67 -9.060 1.098 -3.422 498 HE3 TRP 67 3HE TRP 67 -3.847 0.384 -1.884 499 HZ2 TRP 67 2HZ TRP 67 -8.191 -1.618 -3.528 500 HZ3 TRP 67 3HZ TRP 67 -4.095 -2.060 -2.303 501 HH2 TRP 67 HH TRP 67 -6.175 -3.069 -3.097 502 H ASP 68 H ASP 68 -5.303 4.677 1.770 503 HA ASP 68 HA ASP 68 -3.388 6.673 0.940 504 1HB ASP 68 2HB ASP 68 -5.261 7.804 1.721 505 2HB ASP 68 1HB ASP 68 -5.698 6.528 2.840 506 H THR 69 H THR 69 -4.051 4.138 3.374 507 HA THR 69 HA THR 69 -1.451 4.729 4.634 508 HB THR 69 HB THR 69 -2.698 3.372 6.567 509 HG1 THR 69 1HG THR 69 -5.028 3.778 6.303 510 1HG2 THR 69 1HG2 THR 69 -3.995 6.053 6.120 511 2HG2 THR 69 2HG2 THR 69 -3.235 5.400 7.591 512 3HG2 THR 69 3HG2 THR 69 -2.222 6.034 6.271 513 HA PRO 70 HA PRO 70 -0.149 0.784 3.570 514 1HB PRO 70 2HB PRO 70 1.468 0.066 5.651 515 2HB PRO 70 1HB PRO 70 1.973 1.160 4.378 516 1HG PRO 70 2HG PRO 70 1.209 1.785 7.165 517 2HG PRO 70 1HG PRO 70 2.105 2.769 6.026 518 1HD PRO 70 2HD PRO 70 -0.645 3.086 6.775 519 2HD PRO 70 1HD PRO 70 0.219 3.994 5.551 520 H ASN 71 H ASN 71 -1.482 0.991 6.792 521 HA ASN 71 HA ASN 71 -1.828 -1.737 7.106 522 1HB ASN 71 2HB ASN 71 -2.642 0.738 8.445 523 2HB ASN 71 1HB ASN 71 -3.975 -0.401 8.445 524 1HD2 ASN 71 1HD2 ASN 71 -2.743 0.388 10.761 525 2HD2 ASN 71 2HD2 ASN 71 -1.881 -0.931 11.479 526 H LYS 72 H LYS 72 -4.143 0.908 6.122 527 HA LYS 72 HA LYS 72 -6.350 -0.636 5.644 528 1HB LYS 72 2HB LYS 72 -5.378 2.028 4.887 529 2HB LYS 72 1HB LYS 72 -6.477 1.341 3.709 530 1HG LYS 72 2HG LYS 72 -8.280 1.400 5.144 531 2HG LYS 72 1HG LYS 72 -7.319 0.958 6.542 532 1HD LYS 72 2HD LYS 72 -6.761 3.160 7.044 533 2HD LYS 72 1HD LYS 72 -6.781 3.666 5.366 534 1HE LYS 72 2HE LYS 72 -8.685 4.630 6.694 535 2HE LYS 72 1HE LYS 72 -9.228 3.685 5.322 536 1HZ LYS 72 1HZ LYS 72 -8.949 1.967 7.473 537 2HZ LYS 72 2HZ LYS 72 -9.778 3.269 8.009 538 3HZ LYS 72 3HZ LYS 72 -10.328 2.423 6.725 539 H ILE 73 H ILE 73 -3.424 -0.159 3.647 540 HA ILE 73 HA ILE 73 -4.565 -1.511 1.396 541 HB ILE 73 HB ILE 73 -1.833 -0.471 2.099 542 1HG1 ILE 73 2HG1 ILE 73 -3.965 0.324 0.103 543 2HG1 ILE 73 1HG1 ILE 73 -3.412 1.233 1.496 544 1HG2 ILE 73 1HG2 ILE 73 -1.867 -1.168 -0.632 545 2HG2 ILE 73 2HG2 ILE 73 -0.868 -1.862 0.667 546 3HG2 ILE 73 3HG2 ILE 73 -2.435 -2.600 0.259 547 1HD1 ILE 73 1HD1 ILE 73 -2.179 2.269 -0.188 548 2HD1 ILE 73 2HD1 ILE 73 -1.028 1.003 0.304 549 3HD1 ILE 73 3HD1 ILE 73 -2.037 0.776 -1.145 550 H ILE 74 H ILE 74 -2.079 -2.288 3.924 551 HA ILE 74 HA ILE 74 -1.465 -4.818 3.109 552 HB ILE 74 HB ILE 74 -1.424 -3.316 5.649 553 1HG1 ILE 74 2HG1 ILE 74 0.666 -5.096 4.375 554 2HG1 ILE 74 1HG1 ILE 74 0.405 -3.432 3.888 555 1HG2 ILE 74 1HG2 ILE 74 -1.144 -6.334 5.632 556 2HG2 ILE 74 2HG2 ILE 74 -0.777 -5.249 6.994 557 3HG2 ILE 74 3HG2 ILE 74 -2.449 -5.405 6.406 558 1HD1 ILE 74 1HD1 ILE 74 0.572 -3.655 6.807 559 2HD1 ILE 74 2HD1 ILE 74 2.022 -4.314 6.014 560 3HD1 ILE 74 3HD1 ILE 74 1.519 -2.636 5.697 561 H ALA 75 H ALA 75 -4.465 -3.593 4.493 562 HA ALA 75 HA ALA 75 -5.424 -6.179 5.264 563 1HB ALA 75 1HB ALA 75 -7.052 -4.972 6.277 564 2HB ALA 75 2HB ALA 75 -6.042 -3.560 5.886 565 3HB ALA 75 3HB ALA 75 -7.383 -4.018 4.811 566 H LYS 76 H LYS 76 -5.695 -3.966 2.445 567 HA LYS 76 HA LYS 76 -7.690 -5.493 1.150 568 1HB LYS 76 2HB LYS 76 -6.881 -3.002 0.838 569 2HB LYS 76 1HB LYS 76 -5.774 -3.711 -0.320 570 1HG LYS 76 2HG LYS 76 -7.611 -3.304 -1.699 571 2HG LYS 76 1HG LYS 76 -7.940 -4.957 -1.221 572 1HD LYS 76 2HD LYS 76 -9.716 -4.363 0.152 573 2HD LYS 76 1HD LYS 76 -9.000 -2.830 0.607 574 1HE LYS 76 2HE LYS 76 -9.526 -2.737 -2.230 575 2HE LYS 76 1HE LYS 76 -10.969 -3.348 -1.444 576 1HZ LYS 76 1HZ LYS 76 -11.032 -1.463 -0.059 577 2HZ LYS 76 2HZ LYS 76 -9.552 -0.950 -0.521 578 3HZ LYS 76 3HZ LYS 76 -10.798 -0.903 -1.576 579 H VAL 77 H VAL 77 -4.456 -6.171 1.902 580 HA VAL 77 HA VAL 77 -4.023 -7.726 -0.523 581 HB VAL 77 HB VAL 77 -2.248 -7.213 1.871 582 1HG1 VAL 77 1HG1 VAL 77 -1.898 -9.308 0.359 583 2HG1 VAL 77 2HG1 VAL 77 -1.304 -8.133 -0.838 584 3HG1 VAL 77 3HG1 VAL 77 -0.506 -8.271 0.748 585 1HG2 VAL 77 1HG2 VAL 77 -1.720 -5.230 0.998 586 2HG2 VAL 77 2HG2 VAL 77 -1.353 -5.976 -0.576 587 3HG2 VAL 77 3HG2 VAL 77 -3.012 -5.451 -0.206 588 H GLU 78 H GLU 78 -4.537 -8.052 3.024 589 HA GLU 78 HA GLU 78 -4.441 -10.917 2.742 590 1HB GLU 78 2HB GLU 78 -4.863 -10.822 5.270 591 2HB GLU 78 1HB GLU 78 -3.354 -10.130 4.711 592 1HG GLU 78 2HG GLU 78 -3.927 -8.040 5.416 593 2HG GLU 78 1HG GLU 78 -5.514 -8.136 4.678 594 H GLN 79 H GLN 79 -6.706 -8.410 2.368 595 HA GLN 79 HA GLN 79 -8.891 -10.129 3.221 596 1HB GLN 79 2HB GLN 79 -8.667 -7.676 4.014 597 2HB GLN 79 1HB GLN 79 -9.105 -7.214 2.380 598 1HG GLN 79 2HG GLN 79 -11.161 -8.793 2.673 599 2HG GLN 79 1HG GLN 79 -10.772 -8.787 4.382 600 1HE2 GLN 79 1HE2 GLN 79 -10.540 -6.679 5.444 601 2HE2 GLN 79 2HE2 GLN 79 -11.574 -5.372 4.972 602 H ALA 80 H ALA 80 -7.103 -10.196 0.660 603 HA ALA 80 HA ALA 80 -9.343 -10.082 -1.244 604 1HB ALA 80 1HB ALA 80 -6.807 -10.023 -2.576 605 2HB ALA 80 2HB ALA 80 -8.057 -8.757 -2.521 606 3HB ALA 80 3HB ALA 80 -6.777 -8.797 -1.285 607 H GLN 81 H GLN 81 -6.350 -11.763 -0.141 608 HA GLN 81 HA GLN 81 -6.216 -13.775 -1.892 609 1HB GLN 81 2HB GLN 81 -5.936 -14.120 1.124 610 2HB GLN 81 1HB GLN 81 -5.175 -15.107 -0.108 611 1HG GLN 81 2HG GLN 81 -4.580 -12.230 0.641 612 2HG GLN 81 1HG GLN 81 -3.469 -13.582 0.531 613 1HE2 GLN 81 1HE2 GLN 81 -4.537 -10.831 -0.935 614 2HE2 GLN 81 2HE2 GLN 81 -4.019 -11.098 -2.566 Start of MODEL 20 1 H ALA 2 H ALA 2 1.808 -18.664 11.500 2 HA ALA 2 HA ALA 2 3.944 -17.985 9.768 3 1HB ALA 2 1HB ALA 2 3.547 -20.155 9.326 4 2HB ALA 2 2HB ALA 2 1.949 -20.081 10.108 5 3HB ALA 2 3HB ALA 2 2.123 -19.633 8.395 6 H ASP 3 H ASP 3 3.344 -17.789 7.259 7 HA ASP 3 HA ASP 3 2.492 -16.613 5.644 8 1HB ASP 3 2HB ASP 3 0.147 -15.710 7.346 9 2HB ASP 3 1HB ASP 3 0.191 -15.968 5.614 10 H GLU 4 H GLU 4 4.302 -15.081 6.042 11 HA GLU 4 HA GLU 4 3.292 -12.519 6.928 12 1HB GLU 4 2HB GLU 4 5.395 -12.096 8.229 13 2HB GLU 4 1HB GLU 4 4.399 -13.360 8.922 14 1HG GLU 4 2HG GLU 4 6.512 -14.179 6.932 15 2HG GLU 4 1HG GLU 4 7.044 -13.691 8.529 16 H ALA 5 H ALA 5 4.233 -14.144 4.400 17 HA ALA 5 HA ALA 5 6.462 -12.500 3.541 18 1HB ALA 5 1HB ALA 5 5.324 -15.093 2.895 19 2HB ALA 5 2HB ALA 5 5.510 -14.111 1.422 20 3HB ALA 5 3HB ALA 5 6.916 -14.423 2.468 21 H ILE 6 H ILE 6 3.022 -12.407 3.610 22 HA ILE 6 HA ILE 6 2.857 -10.827 1.175 23 HB ILE 6 HB ILE 6 1.011 -12.354 2.875 24 1HG1 ILE 6 2HG1 ILE 6 1.010 -11.595 -0.062 25 2HG1 ILE 6 1HG1 ILE 6 1.706 -13.052 0.617 26 1HG2 ILE 6 1HG2 ILE 6 0.026 -9.818 1.542 27 2HG2 ILE 6 2HG2 ILE 6 -0.960 -11.045 2.371 28 3HG2 ILE 6 3HG2 ILE 6 0.197 -10.060 3.297 29 1HD1 ILE 6 1HD1 ILE 6 -1.059 -12.517 -0.082 30 2HD1 ILE 6 2HD1 ILE 6 -0.315 -14.050 0.428 31 3HD1 ILE 6 3HD1 ILE 6 -0.947 -12.918 1.648 32 H LYS 7 H LYS 7 2.426 -10.548 4.748 33 HA LYS 7 HA LYS 7 1.684 -7.839 4.678 34 1HB LYS 7 2HB LYS 7 1.602 -9.763 6.550 35 2HB LYS 7 1HB LYS 7 3.074 -8.962 7.065 36 1HG LYS 7 2HG LYS 7 1.503 -6.768 6.630 37 2HG LYS 7 1HG LYS 7 0.259 -7.933 7.037 38 1HD LYS 7 2HD LYS 7 2.544 -8.155 8.866 39 2HD LYS 7 1HD LYS 7 1.916 -6.519 8.845 40 1HE LYS 7 2HE LYS 7 -0.354 -7.325 9.362 41 2HE LYS 7 1HE LYS 7 0.164 -8.993 9.221 42 1HZ LYS 7 1HZ LYS 7 0.113 -7.701 11.498 43 2HZ LYS 7 2HZ LYS 7 1.165 -8.915 11.209 44 3HZ LYS 7 3HZ LYS 7 1.653 -7.363 11.071 45 H ASN 8 H ASN 8 4.834 -9.555 4.892 46 HA ASN 8 HA ASN 8 6.329 -7.290 5.459 47 1HB ASN 8 2HB ASN 8 6.929 -9.893 5.427 48 2HB ASN 8 1HB ASN 8 7.416 -9.572 3.775 49 1HD2 ASN 8 1HD2 ASN 8 9.112 -10.406 5.864 50 2HD2 ASN 8 2HD2 ASN 8 10.296 -9.178 6.165 51 H GLY 9 H GLY 9 5.887 -9.158 2.350 52 1HA GLY 9 2HA GLY 9 7.227 -7.560 0.600 53 2HA GLY 9 1HA GLY 9 5.781 -8.471 0.206 54 H VAL 10 H VAL 10 3.724 -7.244 1.547 55 HA VAL 10 HA VAL 10 3.105 -5.092 -0.019 56 HB VAL 10 HB VAL 10 2.159 -6.073 2.655 57 1HG1 VAL 10 1HG1 VAL 10 0.296 -4.458 2.564 58 2HG1 VAL 10 2HG1 VAL 10 1.871 -3.647 2.745 59 3HG1 VAL 10 3HG1 VAL 10 1.057 -3.668 1.162 60 1HG2 VAL 10 1HG2 VAL 10 0.704 -7.273 1.453 61 2HG2 VAL 10 2HG2 VAL 10 0.223 -5.859 0.486 62 3HG2 VAL 10 3HG2 VAL 10 1.648 -6.817 0.016 63 H LEU 11 H LEU 11 4.476 -5.091 3.340 64 HA LEU 11 HA LEU 11 4.627 -2.289 3.492 65 1HB LEU 11 2HB LEU 11 4.909 -4.401 5.210 66 2HB LEU 11 1HB LEU 11 6.565 -3.847 5.058 67 HG LEU 11 HG LEU 11 4.195 -2.478 6.258 68 1HD1 LEU 11 1HD1 LEU 11 5.625 -3.494 7.824 69 2HD1 LEU 11 2HD1 LEU 11 7.089 -2.898 7.006 70 3HD1 LEU 11 3HD1 LEU 11 6.031 -1.761 7.875 71 1HD2 LEU 11 1HD2 LEU 11 5.827 -0.368 6.170 72 2HD2 LEU 11 2HD2 LEU 11 6.283 -1.123 4.624 73 3HD2 LEU 11 3HD2 LEU 11 4.588 -0.677 4.931 74 H ASP 12 H ASP 12 7.094 -4.831 2.707 75 HA ASP 12 HA ASP 12 9.220 -3.209 2.370 76 1HB ASP 12 2HB ASP 12 8.736 -5.852 1.977 77 2HB ASP 12 1HB ASP 12 8.778 -5.348 0.299 78 H ILE 13 H ILE 13 6.872 -4.331 -0.193 79 HA ILE 13 HA ILE 13 7.895 -2.804 -2.261 80 HB ILE 13 HB ILE 13 5.432 -4.297 -1.669 81 1HG1 ILE 13 2HG1 ILE 13 6.619 -4.209 -4.382 82 2HG1 ILE 13 1HG1 ILE 13 7.696 -4.752 -3.111 83 1HG2 ILE 13 1HG2 ILE 13 5.438 -2.012 -3.648 84 2HG2 ILE 13 2HG2 ILE 13 4.324 -3.396 -3.760 85 3HG2 ILE 13 3HG2 ILE 13 4.286 -2.337 -2.330 86 1HD1 ILE 13 1HD1 ILE 13 4.887 -5.871 -3.519 87 2HD1 ILE 13 2HD1 ILE 13 6.359 -6.607 -4.199 88 3HD1 ILE 13 3HD1 ILE 13 6.148 -6.506 -2.435 89 H LEU 14 H LEU 14 6.173 -1.860 0.609 90 HA LEU 14 HA LEU 14 5.224 0.604 -0.574 91 1HB LEU 14 2HB LEU 14 4.606 -1.011 1.717 92 2HB LEU 14 1HB LEU 14 4.975 0.619 2.245 93 HG LEU 14 HG LEU 14 3.309 1.205 0.207 94 1HD1 LEU 14 1HD1 LEU 14 2.352 -1.481 1.232 95 2HD1 LEU 14 2HD1 LEU 14 1.416 -0.363 0.211 96 3HD1 LEU 14 3HD1 LEU 14 2.904 -1.109 -0.418 97 1HD2 LEU 14 1HD2 LEU 14 2.055 2.072 1.840 98 2HD2 LEU 14 2HD2 LEU 14 1.791 0.488 2.609 99 3HD2 LEU 14 3HD2 LEU 14 3.278 1.406 2.950 100 H ALA 15 H ALA 15 7.241 -0.154 2.356 101 HA ALA 15 HA ALA 15 8.351 2.338 2.604 102 1HB ALA 15 1HB ALA 15 10.347 0.618 3.452 103 2HB ALA 15 2HB ALA 15 8.942 1.125 4.420 104 3HB ALA 15 3HB ALA 15 8.896 -0.411 3.520 105 H ASP 16 H ASP 16 9.174 -0.331 0.381 106 HA ASP 16 HA ASP 16 11.662 0.642 -0.366 107 1HB ASP 16 2HB ASP 16 10.960 -1.636 -0.902 108 2HB ASP 16 1HB ASP 16 9.591 -1.054 -1.829 109 H LEU 17 H LEU 17 8.295 1.125 -1.601 110 HA LEU 17 HA LEU 17 9.001 2.621 -3.865 111 1HB LEU 17 2HB LEU 17 6.688 1.573 -2.703 112 2HB LEU 17 1HB LEU 17 6.424 3.306 -2.723 113 HG LEU 17 HG LEU 17 7.391 1.940 -5.216 114 1HD1 LEU 17 1HD1 LEU 17 5.094 1.067 -3.904 115 2HD1 LEU 17 2HD1 LEU 17 4.498 2.191 -5.148 116 3HD1 LEU 17 3HD1 LEU 17 5.518 0.809 -5.613 117 1HD2 LEU 17 1HD2 LEU 17 5.713 3.774 -6.099 118 2HD2 LEU 17 2HD2 LEU 17 6.009 4.492 -4.497 119 3HD2 LEU 17 3HD2 LEU 17 7.371 4.195 -5.604 120 H THR 18 H THR 18 7.788 3.675 -0.602 121 HA THR 18 HA THR 18 8.146 6.408 -1.104 122 HB THR 18 HB THR 18 7.707 6.599 1.286 123 HG1 THR 18 1HG THR 18 8.661 3.833 1.132 124 1HG2 THR 18 1HG2 THR 18 6.340 4.020 1.210 125 2HG2 THR 18 2HG2 THR 18 5.631 5.652 1.164 126 3HG2 THR 18 3HG2 THR 18 6.135 4.858 -0.347 127 H GLY 19 H GLY 19 10.425 3.852 -0.282 128 1HA GLY 19 2HA GLY 19 12.683 3.916 -0.289 129 2HA GLY 19 1HA GLY 19 12.629 5.602 -0.765 130 H SER 20 H SER 20 10.641 5.023 1.988 131 HA SER 20 HA SER 20 12.847 5.808 3.727 132 1HB SER 20 2HB SER 20 9.959 6.783 3.862 133 2HB SER 20 1HB SER 20 11.226 7.217 4.993 134 HG SER 20 HG SER 20 10.819 8.804 3.243 135 H ASP 21 H ASP 21 12.798 4.930 5.889 136 HA ASP 21 HA ASP 21 11.209 2.535 6.022 137 1HB ASP 21 2HB ASP 21 12.677 2.567 8.344 138 2HB ASP 21 1HB ASP 21 13.240 1.876 6.835 139 H ASP 22 H ASP 22 10.041 5.317 6.347 140 HA ASP 22 HA ASP 22 9.547 5.537 9.153 141 1HB ASP 22 2HB ASP 22 9.670 7.376 7.166 142 2HB ASP 22 1HB ASP 22 7.948 7.061 7.106 143 H VAL 23 H VAL 23 8.104 4.177 6.222 144 HA VAL 23 HA VAL 23 5.485 3.924 7.445 145 HB VAL 23 HB VAL 23 5.674 4.573 5.111 146 1HG1 VAL 23 1HG1 VAL 23 7.170 1.957 4.821 147 2HG1 VAL 23 2HG1 VAL 23 6.430 2.803 3.441 148 3HG1 VAL 23 3HG1 VAL 23 7.712 3.596 4.387 149 1HG2 VAL 23 1HG2 VAL 23 4.169 2.313 6.099 150 2HG2 VAL 23 2HG2 VAL 23 3.686 3.575 4.940 151 3HG2 VAL 23 3HG2 VAL 23 4.517 2.109 4.366 152 H LYS 24 H LYS 24 8.498 2.232 7.259 153 HA LYS 24 HA LYS 24 7.410 -0.396 7.390 154 1HB LYS 24 2HB LYS 24 9.613 0.003 6.447 155 2HB LYS 24 1HB LYS 24 10.179 0.701 7.952 156 1HG LYS 24 2HG LYS 24 9.000 -1.935 8.432 157 2HG LYS 24 1HG LYS 24 10.245 -2.037 7.203 158 1HD LYS 24 2HD LYS 24 11.743 -0.659 8.804 159 2HD LYS 24 1HD LYS 24 10.527 -0.944 10.034 160 1HE LYS 24 2HE LYS 24 10.999 -3.492 8.869 161 2HE LYS 24 1HE LYS 24 12.586 -2.763 9.021 162 1HZ LYS 24 1HZ LYS 24 10.632 -2.874 11.212 163 2HZ LYS 24 2HZ LYS 24 11.840 -3.954 11.009 164 3HZ LYS 24 3HZ LYS 24 12.188 -2.389 11.316 165 H LYS 25 H LYS 25 7.415 2.220 9.537 166 HA LYS 25 HA LYS 25 7.240 0.369 11.812 167 1HB LYS 25 2HB LYS 25 8.029 2.205 13.238 168 2HB LYS 25 1HB LYS 25 9.217 1.755 12.031 169 1HG LYS 25 2HG LYS 25 9.261 4.071 11.789 170 2HG LYS 25 1HG LYS 25 8.052 3.668 10.587 171 1HD LYS 25 2HD LYS 25 6.646 5.081 11.677 172 2HD LYS 25 1HD LYS 25 6.551 3.878 12.947 173 1HE LYS 25 2HE LYS 25 8.863 5.042 13.719 174 2HE LYS 25 1HE LYS 25 8.194 6.402 12.840 175 1HZ LYS 25 1HZ LYS 25 7.496 5.507 15.358 176 2HZ LYS 25 2HZ LYS 25 6.868 6.771 14.537 177 3HZ LYS 25 3HZ LYS 25 6.186 5.293 14.406 178 H ASN 26 H ASN 26 6.117 3.543 10.460 179 HA ASN 26 HA ASN 26 3.893 3.579 12.190 180 1HB ASN 26 2HB ASN 26 5.045 5.264 10.037 181 2HB ASN 26 1HB ASN 26 3.293 5.283 10.031 182 1HD2 ASN 26 1HD2 ASN 26 2.718 7.123 10.922 183 2HD2 ASN 26 2HD2 ASN 26 3.230 7.740 12.458 184 H LEU 27 H LEU 27 1.782 2.796 11.774 185 HA LEU 27 HA LEU 27 1.422 1.486 9.172 186 1HB LEU 27 2HB LEU 27 0.162 0.878 11.850 187 2HB LEU 27 1HB LEU 27 -0.216 0.065 10.345 188 HG LEU 27 HG LEU 27 2.574 0.095 11.508 189 1HD1 LEU 27 1HD1 LEU 27 0.309 -1.153 12.652 190 2HD1 LEU 27 2HD1 LEU 27 1.271 -2.435 11.877 191 3HD1 LEU 27 3HD1 LEU 27 2.023 -1.363 13.084 192 1HD2 LEU 27 1HD2 LEU 27 2.902 -0.638 9.388 193 2HD2 LEU 27 2HD2 LEU 27 2.423 -2.187 10.120 194 3HD2 LEU 27 3HD2 LEU 27 1.233 -1.230 9.208 195 H ASP 28 H ASP 28 1.099 4.353 9.582 196 HA ASP 28 HA ASP 28 -1.506 4.546 8.529 197 1HB ASP 28 2HB ASP 28 -1.249 4.843 11.358 198 2HB ASP 28 1HB ASP 28 -1.429 6.467 10.726 199 H LEU 29 H LEU 29 1.345 5.137 7.883 200 HA LEU 29 HA LEU 29 1.611 7.998 8.123 201 1HB LEU 29 2HB LEU 29 3.439 6.152 8.240 202 2HB LEU 29 1HB LEU 29 3.375 6.203 6.490 203 HG LEU 29 HG LEU 29 3.871 8.659 6.594 204 1HD1 LEU 29 1HD1 LEU 29 5.080 8.811 9.152 205 2HD1 LEU 29 2HD1 LEU 29 3.716 9.757 8.511 206 3HD1 LEU 29 3HD1 LEU 29 3.412 8.238 9.388 207 1HD2 LEU 29 1HD2 LEU 29 5.939 7.990 6.160 208 2HD2 LEU 29 2HD2 LEU 29 6.253 7.799 7.902 209 3HD2 LEU 29 3HD2 LEU 29 5.611 6.433 6.958 210 H ASN 30 H ASN 30 -0.077 8.952 6.969 211 HA ASN 30 HA ASN 30 -1.251 8.218 4.741 212 1HB ASN 30 2HB ASN 30 -0.721 10.744 6.066 213 2HB ASN 30 1HB ASN 30 -0.600 11.009 4.339 214 1HD2 ASN 30 1HD2 ASN 30 -2.617 9.318 6.734 215 2HD2 ASN 30 2HD2 ASN 30 -4.155 9.668 6.016 216 H LEU 31 H LEU 31 -0.082 7.152 3.078 217 HA LEU 31 HA LEU 31 2.469 7.832 2.242 218 1HB LEU 31 2HB LEU 31 0.284 6.511 0.628 219 2HB LEU 31 1HB LEU 31 2.008 6.430 0.321 220 HG LEU 31 HG LEU 31 0.870 5.439 2.928 221 1HD1 LEU 31 1HD1 LEU 31 1.295 3.511 0.688 222 2HD1 LEU 31 2HD1 LEU 31 0.214 3.415 2.100 223 3HD1 LEU 31 3HD1 LEU 31 -0.212 4.457 0.720 224 1HD2 LEU 31 1HD2 LEU 31 3.053 3.917 1.842 225 2HD2 LEU 31 2HD2 LEU 31 3.467 5.649 1.845 226 3HD2 LEU 31 3HD2 LEU 31 2.964 4.851 3.355 227 H PHE 32 H PHE 32 -0.635 9.346 1.637 228 HA PHE 32 HA PHE 32 0.409 10.778 -0.661 229 1HB PHE 32 2HB PHE 32 -2.230 10.498 0.861 230 2HB PHE 32 1HB PHE 32 -2.037 11.810 -0.285 231 HD1 PHE 32 1HD PHE 32 -0.491 10.473 -2.431 232 HD2 PHE 32 2HD PHE 32 -3.784 9.087 -0.143 233 HE1 PHE 32 1HE PHE 32 -1.143 8.934 -4.303 234 HE2 PHE 32 2HE PHE 32 -4.438 7.548 -2.014 235 HZ PHE 32 HZ PHE 32 -3.109 7.489 -4.072 236 H GLU 33 H GLU 33 -1.076 11.546 2.572 237 HA GLU 33 HA GLU 33 -0.505 14.250 2.412 238 1HB GLU 33 2HB GLU 33 -1.998 12.744 4.073 239 2HB GLU 33 1HB GLU 33 -0.580 12.888 5.093 240 1HG GLU 33 2HG GLU 33 -0.775 15.230 5.284 241 2HG GLU 33 1HG GLU 33 -1.669 15.385 3.783 242 H THR 34 H THR 34 1.580 11.548 2.808 243 HA THR 34 HA THR 34 3.585 13.092 4.271 244 HB THR 34 HB THR 34 3.478 10.173 3.342 245 HG1 THR 34 1HG THR 34 1.903 10.987 5.002 246 1HG2 THR 34 1HG2 THR 34 5.182 11.354 5.571 247 2HG2 THR 34 2HG2 THR 34 5.362 9.784 4.754 248 3HG2 THR 34 3HG2 THR 34 5.800 11.284 3.902 249 H GLY 35 H GLY 35 2.584 12.444 1.049 250 1HA GLY 35 2HA GLY 35 3.490 13.296 -0.858 251 2HA GLY 35 1HA GLY 35 4.905 13.821 0.031 252 H LEU 36 H LEU 36 4.376 10.625 0.949 253 HA LEU 36 HA LEU 36 6.655 9.693 -0.364 254 1HB LEU 36 2HB LEU 36 4.427 8.063 0.856 255 2HB LEU 36 1HB LEU 36 6.077 7.548 0.566 256 HG LEU 36 HG LEU 36 5.237 9.725 2.502 257 1HD1 LEU 36 1HD1 LEU 36 6.251 7.851 4.102 258 2HD1 LEU 36 2HD1 LEU 36 4.533 7.887 3.642 259 3HD1 LEU 36 3HD1 LEU 36 5.656 6.789 2.803 260 1HD2 LEU 36 1HD2 LEU 36 7.958 8.466 2.054 261 2HD2 LEU 36 2HD2 LEU 36 7.471 10.104 1.561 262 3HD2 LEU 36 3HD2 LEU 36 7.545 9.680 3.288 263 H LEU 37 H LEU 37 3.133 9.343 -1.072 264 HA LEU 37 HA LEU 37 3.931 8.301 -3.702 265 1HB LEU 37 2HB LEU 37 2.516 6.945 -1.836 266 2HB LEU 37 1HB LEU 37 1.210 7.745 -2.688 267 HG LEU 37 HG LEU 37 2.105 6.789 -4.834 268 1HD1 LEU 37 1HD1 LEU 37 4.322 6.259 -4.546 269 2HD1 LEU 37 2HD1 LEU 37 4.068 5.573 -2.924 270 3HD1 LEU 37 3HD1 LEU 37 3.564 4.659 -4.365 271 1HD2 LEU 37 1HD2 LEU 37 0.317 5.770 -3.164 272 2HD2 LEU 37 2HD2 LEU 37 0.841 4.900 -4.625 273 3HD2 LEU 37 3HD2 LEU 37 1.530 4.473 -3.040 274 H ASP 38 H ASP 38 2.020 8.732 -5.358 275 HA ASP 38 HA ASP 38 0.978 11.392 -4.823 276 1HB ASP 38 2HB ASP 38 2.602 10.428 -7.194 277 2HB ASP 38 1HB ASP 38 1.422 11.701 -7.427 278 H SER 39 H SER 39 1.071 8.576 -7.137 279 HA SER 39 HA SER 39 -1.567 7.929 -6.856 280 1HB SER 39 2HB SER 39 -2.371 9.895 -7.878 281 2HB SER 39 1HB SER 39 -1.039 9.976 -9.014 282 HG SER 39 HG SER 39 -3.466 8.935 -9.437 283 H MET 40 H MET 40 0.836 8.445 -9.546 284 HA MET 40 HA MET 40 0.298 6.198 -10.958 285 1HB MET 40 2HB MET 40 2.616 8.038 -10.551 286 2HB MET 40 1HB MET 40 3.077 6.462 -11.164 287 1HG MET 40 2HG MET 40 0.788 7.175 -12.681 288 2HG MET 40 1HG MET 40 1.714 8.658 -12.552 289 1HE MET 40 1HE MET 40 1.438 5.109 -13.632 290 2HE MET 40 2HE MET 40 2.898 4.747 -14.586 291 3HE MET 40 3HE MET 40 2.977 4.759 -12.807 292 H GLY 41 H GLY 41 2.562 6.576 -8.158 293 1HA GLY 41 2HA GLY 41 3.821 4.188 -8.074 294 2HA GLY 41 1HA GLY 41 3.256 5.041 -6.651 295 H THR 42 H THR 42 0.481 4.865 -6.803 296 HA THR 42 HA THR 42 -0.050 2.376 -5.764 297 HB THR 42 HB THR 42 -1.371 4.779 -6.069 298 HG1 THR 42 1HG THR 42 -2.310 3.575 -4.470 299 1HG2 THR 42 1HG2 THR 42 -3.421 4.414 -7.292 300 2HG2 THR 42 2HG2 THR 42 -2.118 3.961 -8.418 301 3HG2 THR 42 3HG2 THR 42 -3.034 2.699 -7.562 302 H VAL 43 H VAL 43 -0.145 3.456 -9.177 303 HA VAL 43 HA VAL 43 -1.474 1.229 -10.189 304 HB VAL 43 HB VAL 43 0.659 2.932 -11.492 305 1HG1 VAL 43 1HG1 VAL 43 -1.639 1.386 -12.738 306 2HG1 VAL 43 2HG1 VAL 43 -0.402 2.339 -13.594 307 3HG1 VAL 43 3HG1 VAL 43 0.062 0.857 -12.722 308 1HG2 VAL 43 1HG2 VAL 43 -0.796 4.638 -11.711 309 2HG2 VAL 43 2HG2 VAL 43 -2.173 3.554 -12.023 310 3HG2 VAL 43 3HG2 VAL 43 -1.652 3.872 -10.351 311 H GLN 44 H GLN 44 1.720 1.612 -8.826 312 HA GLN 44 HA GLN 44 2.791 -0.635 -10.213 313 1HB GLN 44 2HB GLN 44 4.199 1.291 -9.465 314 2HB GLN 44 1HB GLN 44 3.855 0.890 -7.795 315 1HG GLN 44 2HG GLN 44 5.400 -0.784 -7.769 316 2HG GLN 44 1HG GLN 44 4.804 -1.466 -9.268 317 1HE2 GLN 44 1HE2 GLN 44 7.110 -1.845 -9.599 318 2HE2 GLN 44 2HE2 GLN 44 8.086 -0.617 -10.333 319 H LEU 45 H LEU 45 2.230 0.062 -6.680 320 HA LEU 45 HA LEU 45 2.576 -2.425 -5.699 321 1HB LEU 45 2HB LEU 45 0.518 -1.575 -4.166 322 2HB LEU 45 1HB LEU 45 2.190 -1.089 -3.973 323 HG LEU 45 HG LEU 45 0.535 0.534 -5.844 324 1HD1 LEU 45 1HD1 LEU 45 0.046 0.394 -2.875 325 2HD1 LEU 45 2HD1 LEU 45 -0.244 1.888 -3.798 326 3HD1 LEU 45 3HD1 LEU 45 -1.127 0.399 -4.213 327 1HD2 LEU 45 1HD2 LEU 45 1.977 2.239 -5.308 328 2HD2 LEU 45 2HD2 LEU 45 2.298 1.609 -3.674 329 3HD2 LEU 45 3HD2 LEU 45 3.034 0.823 -5.091 330 H LEU 46 H LEU 46 -0.371 -1.121 -7.317 331 HA LEU 46 HA LEU 46 -2.043 -3.259 -6.850 332 1HB LEU 46 2HB LEU 46 -1.825 -1.271 -9.096 333 2HB LEU 46 1HB LEU 46 -3.068 -2.506 -9.083 334 HG LEU 46 HG LEU 46 -2.701 -0.178 -7.211 335 1HD1 LEU 46 1HD1 LEU 46 -5.327 -1.039 -8.330 336 2HD1 LEU 46 2HD1 LEU 46 -4.686 0.592 -8.016 337 3HD1 LEU 46 3HD1 LEU 46 -4.137 -0.320 -9.443 338 1HD2 LEU 46 1HD2 LEU 46 -4.077 -2.784 -6.634 339 2HD2 LEU 46 2HD2 LEU 46 -3.058 -1.775 -5.580 340 3HD2 LEU 46 3HD2 LEU 46 -4.718 -1.264 -5.968 341 H LEU 47 H LEU 47 0.499 -2.796 -9.357 342 HA LEU 47 HA LEU 47 -0.129 -5.252 -10.655 343 1HB LEU 47 2HB LEU 47 1.232 -2.976 -11.314 344 2HB LEU 47 1HB LEU 47 2.549 -4.095 -11.025 345 HG LEU 47 HG LEU 47 1.921 -4.030 -13.382 346 1HD1 LEU 47 1HD1 LEU 47 0.954 -6.732 -12.825 347 2HD1 LEU 47 2HD1 LEU 47 2.440 -6.184 -13.637 348 3HD1 LEU 47 3HD1 LEU 47 2.382 -6.286 -11.861 349 1HD2 LEU 47 1HD2 LEU 47 -0.447 -5.402 -13.652 350 2HD2 LEU 47 2HD2 LEU 47 -0.783 -4.305 -12.291 351 3HD2 LEU 47 3HD2 LEU 47 -0.228 -3.647 -13.848 352 H GLU 48 H GLU 48 1.623 -4.311 -7.794 353 HA GLU 48 HA GLU 48 3.158 -6.757 -7.849 354 1HB GLU 48 2HB GLU 48 3.777 -4.239 -6.953 355 2HB GLU 48 1HB GLU 48 3.266 -4.985 -5.452 356 1HG GLU 48 2HG GLU 48 5.664 -5.349 -5.709 357 2HG GLU 48 1HG GLU 48 4.852 -6.892 -5.882 358 H LEU 49 H LEU 49 0.121 -5.564 -6.760 359 HA LEU 49 HA LEU 49 -0.001 -7.513 -4.588 360 1HB LEU 49 2HB LEU 49 -1.551 -5.061 -5.325 361 2HB LEU 49 1HB LEU 49 -2.315 -6.300 -4.349 362 HG LEU 49 HG LEU 49 0.085 -4.601 -3.679 363 1HD1 LEU 49 1HD1 LEU 49 -1.422 -4.414 -1.528 364 2HD1 LEU 49 2HD1 LEU 49 -1.762 -3.439 -2.978 365 3HD1 LEU 49 3HD1 LEU 49 -2.709 -4.911 -2.653 366 1HD2 LEU 49 1HD2 LEU 49 -0.728 -7.236 -2.469 367 2HD2 LEU 49 2HD2 LEU 49 0.887 -6.662 -2.954 368 3HD2 LEU 49 3HD2 LEU 49 0.102 -5.990 -1.504 369 H GLN 50 H GLN 50 -0.629 -7.182 -7.927 370 HA GLN 50 HA GLN 50 -2.761 -9.156 -7.758 371 1HB GLN 50 2HB GLN 50 -3.091 -6.967 -9.063 372 2HB GLN 50 1HB GLN 50 -1.920 -7.571 -10.218 373 1HG GLN 50 2HG GLN 50 -3.746 -9.716 -9.802 374 2HG GLN 50 1HG GLN 50 -4.740 -8.277 -9.919 375 1HE2 GLN 50 1HE2 GLN 50 -5.365 -7.748 -11.858 376 2HE2 GLN 50 2HE2 GLN 50 -4.554 -8.071 -13.355 377 H SER 51 H SER 51 0.270 -9.524 -7.427 378 HA SER 51 HA SER 51 0.466 -11.595 -9.457 379 1HB SER 51 2HB SER 51 2.019 -9.269 -9.487 380 2HB SER 51 1HB SER 51 3.068 -10.430 -8.698 381 HG SER 51 HG SER 51 1.680 -11.106 -11.130 382 H GLN 52 H GLN 52 2.166 -10.222 -6.538 383 HA GLN 52 HA GLN 52 2.926 -12.828 -5.716 384 1HB GLN 52 2HB GLN 52 3.154 -10.075 -4.440 385 2HB GLN 52 1HB GLN 52 3.714 -11.525 -3.630 386 1HG GLN 52 2HG GLN 52 4.617 -11.086 -6.471 387 2HG GLN 52 1HG GLN 52 5.323 -10.066 -5.234 388 1HE2 GLN 52 1HE2 GLN 52 6.915 -10.809 -4.021 389 2HE2 GLN 52 2HE2 GLN 52 7.480 -12.445 -3.951 390 H PHE 53 H PHE 53 0.107 -10.845 -5.384 391 HA PHE 53 HA PHE 53 -0.821 -12.598 -3.220 392 1HB PHE 53 2HB PHE 53 -1.766 -9.740 -3.787 393 2HB PHE 53 1HB PHE 53 -1.974 -10.649 -2.303 394 HD1 PHE 53 1HD PHE 53 -0.599 -10.141 -0.525 395 HD2 PHE 53 2HD PHE 53 0.783 -9.333 -4.456 396 HE1 PHE 53 1HE PHE 53 1.466 -9.071 0.420 397 HE2 PHE 53 2HE PHE 53 2.847 -8.263 -3.510 398 HZ PHE 53 HZ PHE 53 3.164 -8.144 -1.083 399 H GLY 54 H GLY 54 -1.611 -10.646 -6.145 400 1HA GLY 54 2HA GLY 54 -3.068 -11.168 -7.813 401 2HA GLY 54 1HA GLY 54 -3.587 -12.592 -6.932 402 H VAL 55 H VAL 55 -3.534 -9.086 -5.980 403 HA VAL 55 HA VAL 55 -6.195 -9.346 -4.937 404 HB VAL 55 HB VAL 55 -4.346 -6.967 -5.196 405 1HG1 VAL 55 1HG1 VAL 55 -6.900 -6.605 -4.882 406 2HG1 VAL 55 2HG1 VAL 55 -6.620 -7.210 -3.231 407 3HG1 VAL 55 3HG1 VAL 55 -5.770 -5.754 -3.801 408 1HG2 VAL 55 1HG2 VAL 55 -3.657 -9.064 -3.790 409 2HG2 VAL 55 2HG2 VAL 55 -3.489 -7.435 -3.091 410 3HG2 VAL 55 3HG2 VAL 55 -4.872 -8.460 -2.638 411 H ASP 56 H ASP 56 -8.082 -8.291 -5.704 412 HA ASP 56 HA ASP 56 -7.838 -7.540 -8.507 413 1HB ASP 56 2HB ASP 56 -9.909 -8.967 -6.881 414 2HB ASP 56 1HB ASP 56 -10.532 -7.875 -8.103 415 H ALA 57 H ALA 57 -7.133 -5.600 -6.574 416 HA ALA 57 HA ALA 57 -9.321 -4.080 -5.659 417 1HB ALA 57 1HB ALA 57 -6.350 -3.643 -6.009 418 2HB ALA 57 2HB ALA 57 -7.410 -2.303 -5.509 419 3HB ALA 57 3HB ALA 57 -7.300 -3.771 -4.508 420 HA PRO 58 HA PRO 58 -10.312 -1.790 -9.190 421 1HB PRO 58 2HB PRO 58 -11.197 0.573 -8.139 422 2HB PRO 58 1HB PRO 58 -12.175 -0.881 -8.187 423 1HG PRO 58 2HG PRO 58 -10.797 0.351 -5.880 424 2HG PRO 58 1HG PRO 58 -12.097 -0.824 -5.883 425 1HD PRO 58 2HD PRO 58 -9.323 -1.335 -5.366 426 2HD PRO 58 1HD PRO 58 -10.604 -2.526 -5.483 427 H VAL 59 H VAL 59 -10.134 0.565 -10.243 428 HA VAL 59 HA VAL 59 -7.536 1.659 -9.573 429 HB VAL 59 HB VAL 59 -8.063 0.822 -12.411 430 1HG1 VAL 59 1HG1 VAL 59 -6.265 2.195 -12.562 431 2HG1 VAL 59 2HG1 VAL 59 -5.818 1.980 -10.853 432 3HG1 VAL 59 3HG1 VAL 59 -5.379 0.738 -12.050 433 1HG2 VAL 59 1HG2 VAL 59 -6.707 -0.837 -10.261 434 2HG2 VAL 59 2HG2 VAL 59 -8.198 -1.243 -11.145 435 3HG2 VAL 59 3HG2 VAL 59 -6.642 -1.177 -12.006 436 H SER 60 H SER 60 -10.420 1.643 -11.755 437 HA SER 60 HA SER 60 -10.308 3.997 -12.906 438 1HB SER 60 2HB SER 60 -12.407 2.227 -12.044 439 2HB SER 60 1HB SER 60 -12.941 3.867 -11.735 440 HG SER 60 HG SER 60 -12.854 2.563 -14.100 441 H GLU 61 H GLU 61 -11.630 3.541 -9.540 442 HA GLU 61 HA GLU 61 -10.512 6.103 -8.857 443 1HB GLU 61 2HB GLU 61 -13.183 5.993 -9.627 444 2HB GLU 61 1HB GLU 61 -13.297 5.846 -7.884 445 1HG GLU 61 2HG GLU 61 -13.357 8.225 -8.553 446 2HG GLU 61 1HG GLU 61 -11.930 7.898 -7.591 447 H PHE 62 H PHE 62 -9.515 3.672 -8.067 448 HA PHE 62 HA PHE 62 -10.554 2.320 -5.993 449 1HB PHE 62 2HB PHE 62 -8.131 1.999 -5.351 450 2HB PHE 62 1HB PHE 62 -8.339 1.921 -7.088 451 HD1 PHE 62 1HD PHE 62 -7.574 4.424 -4.424 452 HD2 PHE 62 2HD PHE 62 -6.907 3.151 -8.417 453 HE1 PHE 62 1HE PHE 62 -5.851 6.228 -4.711 454 HE2 PHE 62 2HE PHE 62 -5.185 4.955 -8.704 455 HZ PHE 62 HZ PHE 62 -4.678 6.471 -6.848 456 H ASP 63 H ASP 63 -10.546 2.455 -3.685 457 HA ASP 63 HA ASP 63 -11.076 4.998 -2.719 458 1HB ASP 63 2HB ASP 63 -10.933 2.240 -1.695 459 2HB ASP 63 1HB ASP 63 -10.407 3.399 -0.491 460 H ARG 64 H ARG 64 -9.124 6.274 -3.255 461 HA ARG 64 HA ARG 64 -6.581 5.627 -2.736 462 1HB ARG 64 2HB ARG 64 -6.312 8.209 -2.290 463 2HB ARG 64 1HB ARG 64 -6.908 7.686 -3.852 464 1HG ARG 64 2HG ARG 64 -8.819 8.858 -3.532 465 2HG ARG 64 1HG ARG 64 -9.189 7.887 -2.121 466 1HD ARG 64 2HD ARG 64 -7.260 9.575 -1.089 467 2HD ARG 64 1HD ARG 64 -8.004 10.622 -2.281 468 HE ARG 64 HE ARG 64 -9.254 9.587 0.166 469 1HH1 ARG 64 2HH2 ARG 64 -9.828 10.978 -3.015 470 2HH1 ARG 64 1HH2 ARG 64 -11.406 11.569 -2.613 471 1HH2 ARG 64 2HH1 ARG 64 -11.337 10.365 0.696 472 2HH2 ARG 64 1HH1 ARG 64 -12.270 11.217 -0.488 473 H LYS 65 H LYS 65 -9.113 6.629 -0.435 474 HA LYS 65 HA LYS 65 -7.473 7.312 1.713 475 1HB LYS 65 2HB LYS 65 -9.639 8.001 2.003 476 2HB LYS 65 1HB LYS 65 -10.328 6.540 1.325 477 1HG LYS 65 2HG LYS 65 -10.271 5.402 3.337 478 2HG LYS 65 1HG LYS 65 -8.766 6.148 3.842 479 1HD LYS 65 2HD LYS 65 -11.299 7.812 3.680 480 2HD LYS 65 1HD LYS 65 -11.016 6.788 5.073 481 1HE LYS 65 2HE LYS 65 -8.674 7.928 5.219 482 2HE LYS 65 1HE LYS 65 -9.307 9.108 4.089 483 1HZ LYS 65 1HZ LYS 65 -10.386 8.473 6.744 484 2HZ LYS 65 2HZ LYS 65 -9.696 9.875 6.268 485 3HZ LYS 65 3HZ LYS 65 -11.152 9.438 5.671 486 H GLU 66 H GLU 66 -8.536 4.182 0.386 487 HA GLU 66 HA GLU 66 -7.542 2.797 2.687 488 1HB GLU 66 2HB GLU 66 -9.526 1.922 1.559 489 2HB GLU 66 1HB GLU 66 -8.679 1.834 0.028 490 1HG GLU 66 2HG GLU 66 -7.435 -0.045 0.653 491 2HG GLU 66 1HG GLU 66 -7.460 0.366 2.357 492 H TRP 67 H TRP 67 -6.424 3.861 -0.479 493 HA TRP 67 HA TRP 67 -4.078 2.120 -0.261 494 1HB TRP 67 2HB TRP 67 -4.913 3.830 -2.604 495 2HB TRP 67 1HB TRP 67 -3.678 2.588 -2.571 496 HD1 TRP 67 HD TRP 67 -7.419 3.015 -3.043 497 HE1 TRP 67 1HE TRP 67 -8.614 0.733 -3.618 498 HE3 TRP 67 3HE TRP 67 -3.421 0.050 -2.000 499 HZ2 TRP 67 2HZ TRP 67 -7.772 -1.993 -3.574 500 HZ3 TRP 67 3HZ TRP 67 -3.692 -2.410 -2.292 501 HH2 TRP 67 HH TRP 67 -5.775 -3.440 -3.049 502 H ASP 68 H ASP 68 -4.890 4.669 1.333 503 HA ASP 68 HA ASP 68 -2.799 6.448 0.436 504 1HB ASP 68 2HB ASP 68 -4.670 7.731 1.004 505 2HB ASP 68 1HB ASP 68 -5.174 6.629 2.269 506 H THR 69 H THR 69 -3.734 4.166 3.015 507 HA THR 69 HA THR 69 -1.192 4.737 4.395 508 HB THR 69 HB THR 69 -2.670 3.487 6.285 509 HG1 THR 69 1HG THR 69 -4.896 3.917 5.836 510 1HG2 THR 69 1HG2 THR 69 -2.846 5.563 7.260 511 2HG2 THR 69 2HG2 THR 69 -1.971 6.153 5.826 512 3HG2 THR 69 3HG2 THR 69 -3.749 6.221 5.874 513 HA PRO 70 HA PRO 70 0.031 0.695 3.647 514 1HB PRO 70 2HB PRO 70 1.518 0.073 5.854 515 2HB PRO 70 1HB PRO 70 2.122 1.062 4.539 516 1HG PRO 70 2HG PRO 70 1.240 1.897 7.235 517 2HG PRO 70 1HG PRO 70 2.225 2.775 6.081 518 1HD PRO 70 2HD PRO 70 -0.548 3.222 6.662 519 2HD PRO 70 1HD PRO 70 0.406 4.020 5.428 520 H ASN 71 H ASN 71 -1.415 1.141 6.802 521 HA ASN 71 HA ASN 71 -1.883 -1.548 7.250 522 1HB ASN 71 2HB ASN 71 -2.602 1.012 8.443 523 2HB ASN 71 1HB ASN 71 -4.025 -0.009 8.406 524 1HD2 ASN 71 1HD2 ASN 71 -2.853 0.773 10.758 525 2HD2 ASN 71 2HD2 ASN 71 -2.150 -0.583 11.575 526 H LYS 72 H LYS 72 -4.105 1.115 6.105 527 HA LYS 72 HA LYS 72 -6.325 -0.392 5.598 528 1HB LYS 72 2HB LYS 72 -5.286 2.229 4.844 529 2HB LYS 72 1HB LYS 72 -6.283 1.536 3.580 530 1HG LYS 72 2HG LYS 72 -8.171 1.278 5.054 531 2HG LYS 72 1HG LYS 72 -7.190 1.527 6.485 532 1HD LYS 72 2HD LYS 72 -6.942 3.812 4.673 533 2HD LYS 72 1HD LYS 72 -8.629 3.496 5.027 534 1HE LYS 72 2HE LYS 72 -6.424 3.842 7.115 535 2HE LYS 72 1HE LYS 72 -7.613 5.057 6.689 536 1HZ LYS 72 1HZ LYS 72 -7.931 3.241 8.605 537 2HZ LYS 72 2HZ LYS 72 -9.165 4.017 7.869 538 3HZ LYS 72 3HZ LYS 72 -8.734 2.519 7.379 539 H ILE 73 H ILE 73 -3.276 -0.197 3.796 540 HA ILE 73 HA ILE 73 -4.385 -1.537 1.506 541 HB ILE 73 HB ILE 73 -1.672 -0.538 2.306 542 1HG1 ILE 73 2HG1 ILE 73 -3.575 0.111 0.037 543 2HG1 ILE 73 1HG1 ILE 73 -3.251 1.101 1.446 544 1HG2 ILE 73 1HG2 ILE 73 -1.228 -2.671 1.259 545 2HG2 ILE 73 2HG2 ILE 73 -2.312 -2.272 -0.096 546 3HG2 ILE 73 3HG2 ILE 73 -0.805 -1.354 0.138 547 1HD1 ILE 73 1HD1 ILE 73 -0.689 0.671 0.488 548 2HD1 ILE 73 2HD1 ILE 73 -1.641 0.740 -1.014 549 3HD1 ILE 73 3HD1 ILE 73 -1.681 2.105 0.129 550 H ILE 74 H ILE 74 -2.119 -2.319 4.224 551 HA ILE 74 HA ILE 74 -1.581 -4.916 3.508 552 HB ILE 74 HB ILE 74 -1.525 -3.303 5.978 553 1HG1 ILE 74 2HG1 ILE 74 0.479 -5.226 4.765 554 2HG1 ILE 74 1HG1 ILE 74 0.354 -3.532 4.331 555 1HG2 ILE 74 1HG2 ILE 74 -1.375 -6.327 6.114 556 2HG2 ILE 74 2HG2 ILE 74 -1.041 -5.184 7.438 557 3HG2 ILE 74 3HG2 ILE 74 -2.687 -5.320 6.773 558 1HD1 ILE 74 1HD1 ILE 74 1.545 -2.922 6.155 559 2HD1 ILE 74 2HD1 ILE 74 0.417 -3.782 7.229 560 3HD1 ILE 74 3HD1 ILE 74 1.796 -4.648 6.510 561 H ALA 75 H ALA 75 -4.566 -3.469 4.628 562 HA ALA 75 HA ALA 75 -5.675 -5.995 5.478 563 1HB ALA 75 1HB ALA 75 -7.140 -3.378 5.024 564 2HB ALA 75 2HB ALA 75 -7.554 -4.703 6.139 565 3HB ALA 75 3HB ALA 75 -6.146 -3.666 6.473 566 H LYS 76 H LYS 76 -5.466 -3.960 2.589 567 HA LYS 76 HA LYS 76 -7.677 -5.193 1.276 568 1HB LYS 76 2HB LYS 76 -5.591 -3.170 0.621 569 2HB LYS 76 1HB LYS 76 -6.295 -4.039 -0.728 570 1HG LYS 76 2HG LYS 76 -7.872 -2.548 1.424 571 2HG LYS 76 1HG LYS 76 -7.567 -1.957 -0.198 572 1HD LYS 76 2HD LYS 76 -8.639 -4.451 -0.735 573 2HD LYS 76 1HD LYS 76 -9.497 -4.027 0.733 574 1HE LYS 76 2HE LYS 76 -10.764 -2.466 -0.341 575 2HE LYS 76 1HE LYS 76 -9.361 -1.734 -1.093 576 1HZ LYS 76 1HZ LYS 76 -11.025 -3.901 -2.077 577 2HZ LYS 76 2HZ LYS 76 -10.451 -2.594 -2.871 578 3HZ LYS 76 3HZ LYS 76 -9.461 -3.851 -2.545 579 H VAL 77 H VAL 77 -4.341 -6.008 1.903 580 HA VAL 77 HA VAL 77 -4.127 -7.767 -0.362 581 HB VAL 77 HB VAL 77 -2.393 -6.481 1.441 582 1HG1 VAL 77 1HG1 VAL 77 -2.644 -8.511 2.883 583 2HG1 VAL 77 2HG1 VAL 77 -1.982 -9.486 1.550 584 3HG1 VAL 77 3HG1 VAL 77 -0.980 -8.228 2.315 585 1HG2 VAL 77 1HG2 VAL 77 -0.679 -7.843 -0.071 586 2HG2 VAL 77 2HG2 VAL 77 -2.158 -8.203 -0.993 587 3HG2 VAL 77 3HG2 VAL 77 -1.662 -6.514 -0.732 588 H GLU 78 H GLU 78 -4.832 -7.951 3.156 589 HA GLU 78 HA GLU 78 -4.862 -10.787 3.109 590 1HB GLU 78 2HB GLU 78 -5.765 -8.738 5.174 591 2HB GLU 78 1HB GLU 78 -5.856 -10.466 5.448 592 1HG GLU 78 2HG GLU 78 -3.209 -9.664 4.434 593 2HG GLU 78 1HG GLU 78 -3.620 -8.814 5.910 594 H GLN 79 H GLN 79 -7.126 -8.191 2.428 595 HA GLN 79 HA GLN 79 -9.385 -9.949 2.751 596 1HB GLN 79 2HB GLN 79 -9.478 -7.537 3.454 597 2HB GLN 79 1HB GLN 79 -9.274 -7.059 1.780 598 1HG GLN 79 2HG GLN 79 -11.486 -7.347 1.376 599 2HG GLN 79 1HG GLN 79 -11.411 -9.011 1.919 600 1HE2 GLN 79 1HE2 GLN 79 -11.823 -5.665 2.908 601 2HE2 GLN 79 2HE2 GLN 79 -12.667 -5.955 4.393 602 H ALA 80 H ALA 80 -7.145 -10.305 0.669 603 HA ALA 80 HA ALA 80 -8.926 -10.350 -1.671 604 1HB ALA 80 1HB ALA 80 -6.254 -9.177 -1.287 605 2HB ALA 80 2HB ALA 80 -6.338 -10.293 -2.671 606 3HB ALA 80 3HB ALA 80 -7.446 -8.903 -2.580 607 H GLN 81 H GLN 81 -6.070 -11.798 0.018 608 HA GLN 81 HA GLN 81 -5.726 -13.981 -1.522 609 1HB GLN 81 2HB GLN 81 -5.571 -13.835 1.521 610 2HB GLN 81 1HB GLN 81 -4.833 -15.087 0.542 611 1HG GLN 81 2HG GLN 81 -4.119 -12.141 0.685 612 2HG GLN 81 1HG GLN 81 -3.074 -13.527 0.927 613 1HE2 GLN 81 1HE2 GLN 81 -4.822 -11.588 -1.405 614 2HE2 GLN 81 2HE2 GLN 81 -3.958 -12.073 -2.825 Start of MODEL 21 1 H ALA 2 H ALA 2 -1.489 -12.394 6.317 2 HA ALA 2 HA ALA 2 -2.472 -14.270 5.619 3 1HB ALA 2 1HB ALA 2 -1.101 -14.817 3.121 4 2HB ALA 2 2HB ALA 2 -2.812 -14.413 3.402 5 3HB ALA 2 3HB ALA 2 -1.615 -13.114 3.181 6 H ASP 3 H ASP 3 0.739 -14.637 3.979 7 HA ASP 3 HA ASP 3 1.233 -16.798 5.869 8 1HB ASP 3 2HB ASP 3 1.326 -16.705 3.024 9 2HB ASP 3 1HB ASP 3 3.001 -16.761 3.538 10 H GLU 4 H GLU 4 1.765 -13.808 6.144 11 HA GLU 4 HA GLU 4 3.320 -12.608 7.101 12 1HB GLU 4 2HB GLU 4 4.418 -15.224 7.403 13 2HB GLU 4 1HB GLU 4 5.734 -14.206 6.853 14 1HG GLU 4 2HG GLU 4 5.804 -13.946 9.205 15 2HG GLU 4 1HG GLU 4 4.954 -12.509 8.673 16 H ALA 5 H ALA 5 4.515 -14.540 4.286 17 HA ALA 5 HA ALA 5 6.333 -12.587 3.395 18 1HB ALA 5 1HB ALA 5 4.906 -14.675 1.712 19 2HB ALA 5 2HB ALA 5 6.526 -13.981 1.461 20 3HB ALA 5 3HB ALA 5 6.229 -15.079 2.831 21 H ILE 6 H ILE 6 2.955 -12.519 3.633 22 HA ILE 6 HA ILE 6 2.646 -10.888 1.235 23 HB ILE 6 HB ILE 6 0.909 -12.565 2.900 24 1HG1 ILE 6 2HG1 ILE 6 0.981 -11.672 0.011 25 2HG1 ILE 6 1HG1 ILE 6 1.407 -13.241 0.666 26 1HG2 ILE 6 1HG2 ILE 6 0.041 -10.325 3.493 27 2HG2 ILE 6 2HG2 ILE 6 -0.216 -9.992 1.764 28 3HG2 ILE 6 3HG2 ILE 6 -1.121 -11.300 2.562 29 1HD1 ILE 6 1HD1 ILE 6 -1.386 -12.007 0.728 30 2HD1 ILE 6 2HD1 ILE 6 -0.841 -13.297 -0.372 31 3HD1 ILE 6 3HD1 ILE 6 -0.949 -13.605 1.378 32 H LYS 7 H LYS 7 2.313 -10.790 4.829 33 HA LYS 7 HA LYS 7 1.555 -8.054 4.840 34 1HB LYS 7 2HB LYS 7 1.430 -10.125 6.629 35 2HB LYS 7 1HB LYS 7 2.763 -9.193 7.282 36 1HG LYS 7 2HG LYS 7 1.049 -7.148 6.747 37 2HG LYS 7 1HG LYS 7 -0.126 -8.428 6.980 38 1HD LYS 7 2HD LYS 7 2.090 -8.203 9.008 39 2HD LYS 7 1HD LYS 7 0.846 -6.968 9.039 40 1HE LYS 7 2HE LYS 7 -0.430 -8.416 10.238 41 2HE LYS 7 1HE LYS 7 -0.617 -9.356 8.771 42 1HZ LYS 7 1HZ LYS 7 0.826 -10.871 9.494 43 2HZ LYS 7 2HZ LYS 7 1.847 -9.790 10.169 44 3HZ LYS 7 3HZ LYS 7 0.513 -10.270 10.979 45 H ASN 8 H ASN 8 4.616 -9.862 4.858 46 HA ASN 8 HA ASN 8 6.140 -7.634 5.684 47 1HB ASN 8 2HB ASN 8 6.603 -10.352 5.487 48 2HB ASN 8 1HB ASN 8 7.455 -9.786 4.064 49 1HD2 ASN 8 1HD2 ASN 8 8.840 -10.961 6.046 50 2HD2 ASN 8 2HD2 ASN 8 9.830 -9.826 6.903 51 H GLY 9 H GLY 9 5.688 -9.458 2.556 52 1HA GLY 9 2HA GLY 9 7.225 -7.931 0.875 53 2HA GLY 9 1HA GLY 9 5.769 -8.786 0.411 54 H VAL 10 H VAL 10 3.814 -7.370 1.959 55 HA VAL 10 HA VAL 10 3.327 -5.206 0.264 56 HB VAL 10 HB VAL 10 2.174 -6.281 2.805 57 1HG1 VAL 10 1HG1 VAL 10 1.864 -4.026 3.331 58 2HG1 VAL 10 2HG1 VAL 10 1.630 -3.557 1.629 59 3HG1 VAL 10 3HG1 VAL 10 0.356 -4.454 2.488 60 1HG2 VAL 10 1HG2 VAL 10 1.678 -7.234 0.519 61 2HG2 VAL 10 2HG2 VAL 10 0.252 -6.721 1.453 62 3HG2 VAL 10 3HG2 VAL 10 0.867 -5.698 0.133 63 H LEU 11 H LEU 11 4.516 -5.359 3.686 64 HA LEU 11 HA LEU 11 4.772 -2.570 3.932 65 1HB LEU 11 2HB LEU 11 4.969 -4.813 5.567 66 2HB LEU 11 1HB LEU 11 6.585 -4.133 5.582 67 HG LEU 11 HG LEU 11 4.010 -2.924 6.548 68 1HD1 LEU 11 1HD1 LEU 11 6.673 -2.731 7.907 69 2HD1 LEU 11 2HD1 LEU 11 5.036 -2.794 8.602 70 3HD1 LEU 11 3HD1 LEU 11 5.778 -4.269 7.936 71 1HD2 LEU 11 1HD2 LEU 11 5.993 -0.938 6.782 72 2HD2 LEU 11 2HD2 LEU 11 6.035 -1.487 5.089 73 3HD2 LEU 11 3HD2 LEU 11 4.511 -0.899 5.797 74 H ASP 12 H ASP 12 6.908 -5.173 2.722 75 HA ASP 12 HA ASP 12 9.212 -3.605 2.677 76 1HB ASP 12 2HB ASP 12 8.697 -6.237 2.299 77 2HB ASP 12 1HB ASP 12 8.766 -5.756 0.615 78 H ILE 13 H ILE 13 6.487 -4.213 0.416 79 HA ILE 13 HA ILE 13 7.746 -2.831 -1.759 80 HB ILE 13 HB ILE 13 5.201 -4.274 -1.262 81 1HG1 ILE 13 2HG1 ILE 13 6.582 -4.421 -3.864 82 2HG1 ILE 13 1HG1 ILE 13 7.576 -4.879 -2.496 83 1HG2 ILE 13 1HG2 ILE 13 4.249 -2.275 -2.124 84 2HG2 ILE 13 2HG2 ILE 13 5.514 -2.126 -3.368 85 3HG2 ILE 13 3HG2 ILE 13 4.316 -3.439 -3.468 86 1HD1 ILE 13 1HD1 ILE 13 4.887 -6.007 -2.236 87 2HD1 ILE 13 2HD1 ILE 13 5.641 -6.479 -3.777 88 3HD1 ILE 13 3HD1 ILE 13 6.462 -6.837 -2.238 89 H LEU 14 H LEU 14 6.240 -1.913 1.159 90 HA LEU 14 HA LEU 14 5.037 0.479 0.077 91 1HB LEU 14 2HB LEU 14 4.900 -1.075 2.520 92 2HB LEU 14 1HB LEU 14 5.118 0.629 2.866 93 HG LEU 14 HG LEU 14 2.728 -0.281 2.728 94 1HD1 LEU 14 1HD1 LEU 14 2.322 1.898 2.744 95 2HD1 LEU 14 2HD1 LEU 14 3.871 2.229 1.932 96 3HD1 LEU 14 3HD1 LEU 14 2.410 1.907 0.966 97 1HD2 LEU 14 1HD2 LEU 14 1.722 -0.760 0.709 98 2HD2 LEU 14 2HD2 LEU 14 2.950 0.114 -0.238 99 3HD2 LEU 14 3HD2 LEU 14 3.341 -1.466 0.481 100 H ALA 15 H ALA 15 7.704 -0.343 2.405 101 HA ALA 15 HA ALA 15 8.656 2.247 2.661 102 1HB ALA 15 1HB ALA 15 9.628 -0.525 3.154 103 2HB ALA 15 2HB ALA 15 10.881 0.733 3.035 104 3HB ALA 15 3HB ALA 15 9.582 0.882 4.242 105 H ASP 16 H ASP 16 9.267 -0.290 0.196 106 HA ASP 16 HA ASP 16 11.415 1.011 -0.996 107 1HB ASP 16 2HB ASP 16 9.780 -1.327 -1.443 108 2HB ASP 16 1HB ASP 16 9.878 -0.453 -2.958 109 H LEU 17 H LEU 17 7.841 1.146 -1.372 110 HA LEU 17 HA LEU 17 7.747 2.555 -3.774 111 1HB LEU 17 2HB LEU 17 5.958 1.577 -1.810 112 2HB LEU 17 1HB LEU 17 5.585 3.274 -2.033 113 HG LEU 17 HG LEU 17 5.711 1.201 -4.242 114 1HD1 LEU 17 1HD1 LEU 17 3.197 1.707 -4.318 115 2HD1 LEU 17 2HD1 LEU 17 3.800 0.668 -3.004 116 3HD1 LEU 17 3HD1 LEU 17 3.414 2.376 -2.682 117 1HD2 LEU 17 1HD2 LEU 17 4.734 4.064 -4.392 118 2HD2 LEU 17 2HD2 LEU 17 6.337 3.513 -4.937 119 3HD2 LEU 17 3HD2 LEU 17 4.866 2.889 -5.722 120 H THR 18 H THR 18 7.523 3.776 -0.355 121 HA THR 18 HA THR 18 7.699 6.488 -1.185 122 HB THR 18 HB THR 18 7.612 6.906 1.196 123 HG1 THR 18 1HG THR 18 8.366 5.210 2.623 124 1HG2 THR 18 1HG2 THR 18 5.735 5.680 1.866 125 2HG2 THR 18 2HG2 THR 18 5.696 5.322 0.122 126 3HG2 THR 18 3HG2 THR 18 6.398 4.144 1.257 127 H GLY 19 H GLY 19 10.067 4.028 -0.094 128 1HA GLY 19 2HA GLY 19 12.292 4.019 -0.694 129 2HA GLY 19 1HA GLY 19 12.189 5.697 -1.187 130 H SER 20 H SER 20 10.646 5.135 1.856 131 HA SER 20 HA SER 20 13.101 5.865 3.241 132 1HB SER 20 2HB SER 20 10.424 7.244 3.250 133 2HB SER 20 1HB SER 20 11.326 7.207 4.752 134 HG SER 20 HG SER 20 13.106 8.239 3.700 135 H ASP 21 H ASP 21 13.038 5.327 5.617 136 HA ASP 21 HA ASP 21 11.583 2.870 5.945 137 1HB ASP 21 2HB ASP 21 12.966 3.102 8.260 138 2HB ASP 21 1HB ASP 21 13.688 2.475 6.791 139 H ASP 22 H ASP 22 10.005 5.315 5.915 140 HA ASP 22 HA ASP 22 9.501 5.881 8.697 141 1HB ASP 22 2HB ASP 22 9.525 7.525 6.563 142 2HB ASP 22 1HB ASP 22 7.853 7.018 6.438 143 H VAL 23 H VAL 23 8.005 4.475 5.729 144 HA VAL 23 HA VAL 23 5.521 3.929 7.074 145 HB VAL 23 HB VAL 23 5.703 4.574 4.687 146 1HG1 VAL 23 1HG1 VAL 23 7.499 3.595 3.674 147 2HG1 VAL 23 2HG1 VAL 23 7.342 2.083 4.600 148 3HG1 VAL 23 3HG1 VAL 23 6.262 2.398 3.222 149 1HG2 VAL 23 1HG2 VAL 23 4.259 2.531 3.865 150 2HG2 VAL 23 2HG2 VAL 23 4.354 2.040 5.574 151 3HG2 VAL 23 3HG2 VAL 23 3.650 3.615 5.139 152 H LYS 24 H LYS 24 8.647 2.535 6.947 153 HA LYS 24 HA LYS 24 7.831 -0.194 7.041 154 1HB LYS 24 2HB LYS 24 10.010 0.446 6.163 155 2HB LYS 24 1HB LYS 24 10.458 1.171 7.693 156 1HG LYS 24 2HG LYS 24 9.587 -1.479 8.309 157 2HG LYS 24 1HG LYS 24 10.598 -1.625 6.885 158 1HD LYS 24 2HD LYS 24 12.284 -0.081 8.161 159 2HD LYS 24 1HD LYS 24 11.337 -0.447 9.589 160 1HE LYS 24 2HE LYS 24 11.748 -2.855 9.322 161 2HE LYS 24 1HE LYS 24 12.527 -2.595 7.773 162 1HZ LYS 24 1HZ LYS 24 14.324 -1.587 8.792 163 2HZ LYS 24 2HZ LYS 24 13.538 -1.304 10.194 164 3HZ LYS 24 3HZ LYS 24 13.982 -2.825 9.802 165 H LYS 25 H LYS 25 7.990 2.474 9.293 166 HA LYS 25 HA LYS 25 7.750 0.578 11.519 167 1HB LYS 25 2HB LYS 25 9.636 2.156 11.670 168 2HB LYS 25 1HB LYS 25 8.531 3.509 11.537 169 1HG LYS 25 2HG LYS 25 7.989 1.451 13.676 170 2HG LYS 25 1HG LYS 25 9.321 2.561 13.928 171 1HD LYS 25 2HD LYS 25 7.221 4.210 13.009 172 2HD LYS 25 1HD LYS 25 6.426 3.064 14.069 173 1HE LYS 25 2HE LYS 25 8.523 3.620 15.666 174 2HE LYS 25 1HE LYS 25 8.557 5.097 14.725 175 1HZ LYS 25 1HZ LYS 25 7.088 5.635 16.338 176 2HZ LYS 25 2HZ LYS 25 6.029 5.048 15.242 177 3HZ LYS 25 3HZ LYS 25 6.489 4.125 16.508 178 H ASN 26 H ASN 26 6.553 3.907 10.669 179 HA ASN 26 HA ASN 26 4.315 3.727 12.232 180 1HB ASN 26 2HB ASN 26 5.285 5.435 9.998 181 2HB ASN 26 1HB ASN 26 3.537 5.372 10.098 182 1HD2 ASN 26 1HD2 ASN 26 6.504 6.261 11.687 183 2HD2 ASN 26 2HD2 ASN 26 5.834 7.249 12.943 184 H LEU 27 H LEU 27 2.192 2.914 11.853 185 HA LEU 27 HA LEU 27 1.847 1.509 9.297 186 1HB LEU 27 2HB LEU 27 0.893 0.881 12.084 187 2HB LEU 27 1HB LEU 27 0.170 0.153 10.663 188 HG LEU 27 HG LEU 27 3.141 -0.026 10.987 189 1HD1 LEU 27 1HD1 LEU 27 2.561 -0.649 13.181 190 2HD1 LEU 27 2HD1 LEU 27 1.125 -1.550 12.638 191 3HD1 LEU 27 3HD1 LEU 27 2.753 -2.179 12.291 192 1HD2 LEU 27 1HD2 LEU 27 1.430 -0.938 9.089 193 2HD2 LEU 27 2HD2 LEU 27 3.005 -1.677 9.466 194 3HD2 LEU 27 3HD2 LEU 27 1.514 -2.352 10.168 195 H ASP 28 H ASP 28 1.400 4.368 9.679 196 HA ASP 28 HA ASP 28 -1.229 4.426 8.672 197 1HB ASP 28 2HB ASP 28 -0.951 4.747 11.492 198 2HB ASP 28 1HB ASP 28 -1.206 6.362 10.861 199 H LEU 29 H LEU 29 1.576 5.152 7.973 200 HA LEU 29 HA LEU 29 1.687 8.030 8.182 201 1HB LEU 29 2HB LEU 29 3.634 6.373 8.375 202 2HB LEU 29 1HB LEU 29 3.542 6.241 6.630 203 HG LEU 29 HG LEU 29 3.767 8.823 6.621 204 1HD1 LEU 29 1HD1 LEU 29 3.746 8.384 9.412 205 2HD1 LEU 29 2HD1 LEU 29 5.398 8.888 8.982 206 3HD1 LEU 29 3HD1 LEU 29 4.011 9.910 8.536 207 1HD2 LEU 29 1HD2 LEU 29 6.158 7.180 7.491 208 2HD2 LEU 29 2HD2 LEU 29 5.470 7.175 5.850 209 3HD2 LEU 29 3HD2 LEU 29 6.161 8.672 6.520 210 H ASN 30 H ASN 30 -0.007 8.913 7.002 211 HA ASN 30 HA ASN 30 -1.167 8.071 4.799 212 1HB ASN 30 2HB ASN 30 -0.234 10.973 5.046 213 2HB ASN 30 1HB ASN 30 -1.698 10.399 4.271 214 1HD2 ASN 30 1HD2 ASN 30 -3.033 8.896 5.796 215 2HD2 ASN 30 2HD2 ASN 30 -3.364 9.533 7.372 216 H LEU 31 H LEU 31 -0.283 7.270 2.887 217 HA LEU 31 HA LEU 31 2.351 8.016 2.088 218 1HB LEU 31 2HB LEU 31 0.328 6.431 0.514 219 2HB LEU 31 1HB LEU 31 2.074 6.414 0.355 220 HG LEU 31 HG LEU 31 0.948 5.621 3.000 221 1HD1 LEU 31 1HD1 LEU 31 0.557 4.055 0.462 222 2HD1 LEU 31 2HD1 LEU 31 0.768 3.229 2.026 223 3HD1 LEU 31 3HD1 LEU 31 -0.585 4.362 1.793 224 1HD2 LEU 31 1HD2 LEU 31 3.015 4.031 1.588 225 2HD2 LEU 31 2HD2 LEU 31 3.455 5.700 2.023 226 3HD2 LEU 31 3HD2 LEU 31 2.923 4.563 3.284 227 H PHE 32 H PHE 32 -0.680 9.513 1.835 228 HA PHE 32 HA PHE 32 0.096 10.818 -0.674 229 1HB PHE 32 2HB PHE 32 -2.388 9.832 0.586 230 2HB PHE 32 1HB PHE 32 -2.547 11.534 0.200 231 HD1 PHE 32 1HD PHE 32 -1.119 8.507 -1.479 232 HD2 PHE 32 2HD PHE 32 -3.573 11.954 -1.809 233 HE1 PHE 32 1HE PHE 32 -1.627 7.917 -3.865 234 HE2 PHE 32 2HE PHE 32 -4.081 11.363 -4.195 235 HZ PHE 32 HZ PHE 32 -3.102 9.352 -5.195 236 H GLU 33 H GLU 33 -1.165 11.382 2.673 237 HA GLU 33 HA GLU 33 -1.017 14.176 2.412 238 1HB GLU 33 2HB GLU 33 -2.207 12.436 4.181 239 2HB GLU 33 1HB GLU 33 -0.861 13.008 5.147 240 1HG GLU 33 2HG GLU 33 -1.713 15.389 4.099 241 2HG GLU 33 1HG GLU 33 -3.231 14.515 4.109 242 H THR 34 H THR 34 1.362 11.735 2.768 243 HA THR 34 HA THR 34 3.222 13.558 4.116 244 HB THR 34 HB THR 34 3.465 10.582 3.428 245 HG1 THR 34 1HG THR 34 1.694 11.470 4.953 246 1HG2 THR 34 1HG2 THR 34 5.657 11.557 3.958 247 2HG2 THR 34 2HG2 THR 34 4.966 12.453 5.332 248 3HG2 THR 34 3HG2 THR 34 5.083 10.678 5.395 249 H GLY 35 H GLY 35 2.218 12.575 0.994 250 1HA GLY 35 2HA GLY 35 3.014 13.262 -1.013 251 2HA GLY 35 1HA GLY 35 4.352 14.063 -0.214 252 H LEU 36 H LEU 36 4.033 10.823 0.894 253 HA LEU 36 HA LEU 36 6.497 10.083 -0.251 254 1HB LEU 36 2HB LEU 36 4.369 8.584 1.267 255 2HB LEU 36 1HB LEU 36 5.836 7.815 0.696 256 HG LEU 36 HG LEU 36 5.902 10.260 2.469 257 1HD1 LEU 36 1HD1 LEU 36 6.213 7.488 3.578 258 2HD1 LEU 36 2HD1 LEU 36 5.812 9.011 4.408 259 3HD1 LEU 36 3HD1 LEU 36 4.593 8.202 3.394 260 1HD2 LEU 36 1HD2 LEU 36 8.117 10.061 2.413 261 2HD2 LEU 36 2HD2 LEU 36 8.046 8.312 2.735 262 3HD2 LEU 36 3HD2 LEU 36 7.892 8.917 1.068 263 H LEU 37 H LEU 37 3.087 9.676 -1.186 264 HA LEU 37 HA LEU 37 4.043 8.248 -3.571 265 1HB LEU 37 2HB LEU 37 2.556 7.046 -1.793 266 2HB LEU 37 1HB LEU 37 1.255 7.976 -2.507 267 HG LEU 37 HG LEU 37 2.785 6.708 -4.599 268 1HD1 LEU 37 1HD1 LEU 37 2.588 4.414 -4.106 269 2HD1 LEU 37 2HD1 LEU 37 3.323 5.147 -2.661 270 3HD1 LEU 37 3HD1 LEU 37 1.596 4.720 -2.661 271 1HD2 LEU 37 1HD2 LEU 37 0.409 7.568 -4.627 272 2HD2 LEU 37 2HD2 LEU 37 0.664 5.958 -5.341 273 3HD2 LEU 37 3HD2 LEU 37 -0.043 6.109 -3.714 274 H ASP 38 H ASP 38 2.295 8.538 -5.430 275 HA ASP 38 HA ASP 38 1.346 11.283 -5.326 276 1HB ASP 38 2HB ASP 38 3.541 10.328 -6.888 277 2HB ASP 38 1HB ASP 38 2.215 10.545 -8.012 278 H SER 39 H SER 39 1.557 8.293 -7.413 279 HA SER 39 HA SER 39 -1.054 7.597 -7.256 280 1HB SER 39 2HB SER 39 -1.891 9.548 -8.286 281 2HB SER 39 1HB SER 39 -0.541 9.667 -9.398 282 HG SER 39 HG SER 39 -2.014 8.815 -10.743 283 H MET 40 H MET 40 1.665 8.125 -9.584 284 HA MET 40 HA MET 40 1.153 5.872 -11.120 285 1HB MET 40 2HB MET 40 3.098 7.985 -10.930 286 2HB MET 40 1HB MET 40 4.009 6.488 -10.927 287 1HG MET 40 2HG MET 40 3.466 5.995 -13.110 288 2HG MET 40 1HG MET 40 1.813 6.549 -12.934 289 1HE MET 40 1HE MET 40 0.980 8.956 -13.557 290 2HE MET 40 2HE MET 40 1.735 9.291 -11.981 291 3HE MET 40 3HE MET 40 2.045 10.369 -13.362 292 H GLY 41 H GLY 41 2.431 6.223 -7.902 293 1HA GLY 41 2HA GLY 41 4.092 3.910 -7.849 294 2HA GLY 41 1HA GLY 41 3.467 4.809 -6.481 295 H THR 42 H THR 42 0.664 4.625 -6.904 296 HA THR 42 HA THR 42 0.115 2.131 -5.788 297 HB THR 42 HB THR 42 -1.264 4.586 -6.585 298 HG1 THR 42 1HG THR 42 -0.883 3.397 -4.448 299 1HG2 THR 42 1HG2 THR 42 -3.524 3.547 -6.819 300 2HG2 THR 42 2HG2 THR 42 -2.485 3.108 -8.196 301 3HG2 THR 42 3HG2 THR 42 -2.772 1.935 -6.890 302 H VAL 43 H VAL 43 0.270 3.201 -9.177 303 HA VAL 43 HA VAL 43 -1.134 1.034 -10.260 304 HB VAL 43 HB VAL 43 1.022 2.841 -11.364 305 1HG1 VAL 43 1HG1 VAL 43 -0.651 1.783 -13.425 306 2HG1 VAL 43 2HG1 VAL 43 1.107 1.595 -13.210 307 3HG1 VAL 43 3HG1 VAL 43 -0.011 0.420 -12.476 308 1HG2 VAL 43 1HG2 VAL 43 -1.339 3.482 -12.613 309 2HG2 VAL 43 2HG2 VAL 43 -1.890 3.070 -10.971 310 3HG2 VAL 43 3HG2 VAL 43 -0.657 4.333 -11.205 311 H GLN 44 H GLN 44 2.380 1.579 -9.583 312 HA GLN 44 HA GLN 44 3.146 -0.900 -10.613 313 1HB GLN 44 2HB GLN 44 4.667 1.066 -10.277 314 2HB GLN 44 1HB GLN 44 4.556 0.841 -8.543 315 1HG GLN 44 2HG GLN 44 5.837 -1.115 -8.563 316 2HG GLN 44 1HG GLN 44 5.348 -1.553 -10.188 317 1HE2 GLN 44 1HE2 GLN 44 6.923 -1.488 -11.580 318 2HE2 GLN 44 2HE2 GLN 44 8.240 -0.365 -11.636 319 H LEU 45 H LEU 45 2.743 0.268 -7.190 320 HA LEU 45 HA LEU 45 3.323 -2.013 -5.861 321 1HB LEU 45 2HB LEU 45 2.859 -0.528 -4.295 322 2HB LEU 45 1HB LEU 45 1.856 0.418 -5.375 323 HG LEU 45 HG LEU 45 -0.090 -0.943 -4.853 324 1HD1 LEU 45 1HD1 LEU 45 1.932 -2.750 -3.710 325 2HD1 LEU 45 2HD1 LEU 45 0.482 -2.528 -2.702 326 3HD1 LEU 45 3HD1 LEU 45 0.320 -3.095 -4.381 327 1HD2 LEU 45 1HD2 LEU 45 1.165 0.839 -3.136 328 2HD2 LEU 45 2HD2 LEU 45 -0.525 0.290 -3.052 329 3HD2 LEU 45 3HD2 LEU 45 0.725 -0.531 -2.087 330 H LEU 46 H LEU 46 0.180 -1.155 -7.432 331 HA LEU 46 HA LEU 46 -1.209 -3.409 -6.615 332 1HB LEU 46 2HB LEU 46 -1.498 -1.254 -8.549 333 2HB LEU 46 1HB LEU 46 -2.181 -2.757 -9.136 334 HG LEU 46 HG LEU 46 -2.899 -1.323 -6.566 335 1HD1 LEU 46 1HD1 LEU 46 -5.058 -1.879 -8.430 336 2HD1 LEU 46 2HD1 LEU 46 -4.561 -0.347 -7.675 337 3HD1 LEU 46 3HD1 LEU 46 -3.776 -0.895 -9.176 338 1HD2 LEU 46 1HD2 LEU 46 -3.801 -3.177 -5.746 339 2HD2 LEU 46 2HD2 LEU 46 -4.690 -3.476 -7.259 340 3HD2 LEU 46 3HD2 LEU 46 -3.029 -4.086 -7.067 341 H LEU 47 H LEU 47 1.073 -2.875 -9.332 342 HA LEU 47 HA LEU 47 0.575 -5.226 -10.707 343 1HB LEU 47 2HB LEU 47 2.191 -3.061 -11.009 344 2HB LEU 47 1HB LEU 47 3.369 -4.290 -10.596 345 HG LEU 47 HG LEU 47 3.101 -4.035 -13.019 346 1HD1 LEU 47 1HD1 LEU 47 1.951 -6.710 -12.785 347 2HD1 LEU 47 2HD1 LEU 47 3.566 -6.194 -13.327 348 3HD1 LEU 47 3HD1 LEU 47 3.232 -6.396 -11.590 349 1HD2 LEU 47 1HD2 LEU 47 1.143 -4.237 -14.186 350 2HD2 LEU 47 2HD2 LEU 47 0.377 -5.267 -12.953 351 3HD2 LEU 47 3HD2 LEU 47 0.538 -3.517 -12.675 352 H GLU 48 H GLU 48 2.648 -4.543 -7.848 353 HA GLU 48 HA GLU 48 3.653 -7.198 -7.835 354 1HB GLU 48 2HB GLU 48 4.203 -4.695 -6.490 355 2HB GLU 48 1HB GLU 48 4.019 -5.950 -5.280 356 1HG GLU 48 2HG GLU 48 5.842 -6.144 -7.725 357 2HG GLU 48 1HG GLU 48 6.381 -5.736 -6.108 358 H LEU 49 H LEU 49 0.870 -5.479 -6.520 359 HA LEU 49 HA LEU 49 0.339 -7.499 -4.535 360 1HB LEU 49 2HB LEU 49 -0.804 -4.881 -5.345 361 2HB LEU 49 1HB LEU 49 -1.900 -6.027 -4.599 362 HG LEU 49 HG LEU 49 0.605 -4.816 -3.419 363 1HD1 LEU 49 1HD1 LEU 49 -1.012 -4.119 -1.631 364 2HD1 LEU 49 2HD1 LEU 49 -1.285 -3.374 -3.225 365 3HD1 LEU 49 3HD1 LEU 49 -2.327 -4.709 -2.676 366 1HD2 LEU 49 1HD2 LEU 49 0.939 -6.775 -2.384 367 2HD2 LEU 49 2HD2 LEU 49 -0.458 -6.304 -1.386 368 3HD2 LEU 49 3HD2 LEU 49 -0.686 -7.382 -2.784 369 H GLN 50 H GLN 50 0.060 -7.265 -7.898 370 HA GLN 50 HA GLN 50 -2.271 -9.017 -7.860 371 1HB GLN 50 2HB GLN 50 -2.502 -6.904 -9.186 372 2HB GLN 50 1HB GLN 50 -1.138 -7.385 -10.176 373 1HG GLN 50 2HG GLN 50 -2.401 -8.824 -11.415 374 2HG GLN 50 1HG GLN 50 -3.142 -9.531 -9.993 375 1HE2 GLN 50 1HE2 GLN 50 -3.081 -6.367 -11.639 376 2HE2 GLN 50 2HE2 GLN 50 -4.789 -6.084 -11.632 377 H SER 51 H SER 51 0.848 -9.422 -7.499 378 HA SER 51 HA SER 51 0.963 -11.588 -9.448 379 1HB SER 51 2HB SER 51 2.586 -9.448 -9.638 380 2HB SER 51 1HB SER 51 3.508 -10.335 -8.441 381 HG SER 51 HG SER 51 4.258 -11.530 -10.039 382 H GLN 52 H GLN 52 2.547 -10.322 -6.417 383 HA GLN 52 HA GLN 52 3.133 -12.954 -5.560 384 1HB GLN 52 2HB GLN 52 3.287 -10.258 -4.146 385 2HB GLN 52 1HB GLN 52 3.854 -11.755 -3.435 386 1HG GLN 52 2HG GLN 52 4.839 -11.105 -6.202 387 2HG GLN 52 1HG GLN 52 5.464 -10.127 -4.888 388 1HE2 GLN 52 1HE2 GLN 52 7.142 -10.842 -3.816 389 2HE2 GLN 52 2HE2 GLN 52 7.730 -12.470 -3.758 390 H PHE 53 H PHE 53 0.395 -10.800 -5.339 391 HA PHE 53 HA PHE 53 -0.776 -12.579 -3.316 392 1HB PHE 53 2HB PHE 53 -1.539 -9.675 -3.936 393 2HB PHE 53 1HB PHE 53 -1.965 -10.591 -2.504 394 HD1 PHE 53 1HD PHE 53 -0.748 -10.249 -0.569 395 HD2 PHE 53 2HD PHE 53 1.054 -9.329 -4.299 396 HE1 PHE 53 1HE PHE 53 1.247 -9.305 0.627 397 HE2 PHE 53 2HE PHE 53 3.049 -8.385 -3.103 398 HZ PHE 53 HZ PHE 53 3.121 -8.384 -0.653 399 H GLY 54 H GLY 54 -1.263 -10.590 -6.279 400 1HA GLY 54 2HA GLY 54 -2.611 -11.023 -8.054 401 2HA GLY 54 1HA GLY 54 -3.213 -12.463 -7.258 402 H VAL 55 H VAL 55 -3.188 -9.006 -6.152 403 HA VAL 55 HA VAL 55 -5.938 -9.260 -5.366 404 HB VAL 55 HB VAL 55 -4.066 -6.883 -5.341 405 1HG1 VAL 55 1HG1 VAL 55 -5.972 -6.779 -3.241 406 2HG1 VAL 55 2HG1 VAL 55 -5.826 -5.702 -4.650 407 3HG1 VAL 55 3HG1 VAL 55 -6.866 -7.144 -4.736 408 1HG2 VAL 55 1HG2 VAL 55 -3.318 -7.493 -3.233 409 2HG2 VAL 55 2HG2 VAL 55 -4.719 -8.547 -2.922 410 3HG2 VAL 55 3HG2 VAL 55 -3.441 -9.073 -4.044 411 H ASP 56 H ASP 56 -7.733 -8.174 -6.265 412 HA ASP 56 HA ASP 56 -7.216 -7.264 -8.981 413 1HB ASP 56 2HB ASP 56 -9.075 -9.111 -7.925 414 2HB ASP 56 1HB ASP 56 -10.036 -7.681 -8.248 415 H ALA 57 H ALA 57 -6.802 -5.585 -6.589 416 HA ALA 57 HA ALA 57 -8.886 -4.052 -5.767 417 1HB ALA 57 1HB ALA 57 -6.546 -2.410 -6.301 418 2HB ALA 57 2HB ALA 57 -7.197 -2.978 -4.744 419 3HB ALA 57 3HB ALA 57 -6.067 -4.003 -5.663 420 HA PRO 58 HA PRO 58 -10.219 -1.958 -9.322 421 1HB PRO 58 2HB PRO 58 -11.816 -0.069 -8.162 422 2HB PRO 58 1HB PRO 58 -12.340 -1.714 -8.461 423 1HG PRO 58 2HG PRO 58 -11.566 -0.452 -5.903 424 2HG PRO 58 1HG PRO 58 -12.479 -1.924 -6.168 425 1HD PRO 58 2HD PRO 58 -9.727 -1.728 -5.382 426 2HD PRO 58 1HD PRO 58 -10.608 -3.196 -5.761 427 H VAL 59 H VAL 59 -9.633 -0.354 -10.724 428 HA VAL 59 HA VAL 59 -7.911 1.653 -9.438 429 HB VAL 59 HB VAL 59 -7.761 0.588 -12.263 430 1HG1 VAL 59 1HG1 VAL 59 -6.679 2.901 -11.098 431 2HG1 VAL 59 2HG1 VAL 59 -5.333 1.738 -11.161 432 3HG1 VAL 59 3HG1 VAL 59 -6.218 2.156 -12.647 433 1HG2 VAL 59 1HG2 VAL 59 -6.733 -0.506 -9.732 434 2HG2 VAL 59 2HG2 VAL 59 -6.926 -1.278 -11.325 435 3HG2 VAL 59 3HG2 VAL 59 -5.487 -0.288 -10.984 436 H SER 60 H SER 60 -10.865 1.033 -11.068 437 HA SER 60 HA SER 60 -11.102 3.200 -12.715 438 1HB SER 60 2HB SER 60 -12.825 1.205 -11.542 439 2HB SER 60 1HB SER 60 -13.627 2.757 -11.408 440 HG SER 60 HG SER 60 -14.009 2.732 -13.511 441 H GLU 61 H GLU 61 -12.669 2.969 -9.435 442 HA GLU 61 HA GLU 61 -11.658 5.583 -8.812 443 1HB GLU 61 2HB GLU 61 -14.233 5.330 -9.954 444 2HB GLU 61 1HB GLU 61 -14.528 5.532 -8.238 445 1HG GLU 61 2HG GLU 61 -12.606 7.445 -8.589 446 2HG GLU 61 1HG GLU 61 -13.307 7.445 -10.196 447 H PHE 62 H PHE 62 -10.668 3.556 -7.513 448 HA PHE 62 HA PHE 62 -12.279 2.475 -5.467 449 1HB PHE 62 2HB PHE 62 -9.972 1.789 -4.614 450 2HB PHE 62 1HB PHE 62 -10.208 1.404 -6.307 451 HD1 PHE 62 1HD PHE 62 -8.504 3.653 -3.958 452 HD2 PHE 62 2HD PHE 62 -8.940 2.518 -8.023 453 HE1 PHE 62 1HE PHE 62 -6.432 4.945 -4.540 454 HE2 PHE 62 2HE PHE 62 -6.868 3.810 -8.606 455 HZ PHE 62 HZ PHE 62 -5.639 5.007 -6.857 456 H ASP 63 H ASP 63 -10.759 2.721 -3.123 457 HA ASP 63 HA ASP 63 -11.242 5.529 -2.531 458 1HB ASP 63 2HB ASP 63 -11.883 3.024 -1.179 459 2HB ASP 63 1HB ASP 63 -10.899 4.022 -0.126 460 H ARG 64 H ARG 64 -9.240 6.591 -2.634 461 HA ARG 64 HA ARG 64 -6.824 5.315 -2.368 462 1HB ARG 64 2HB ARG 64 -7.591 8.249 -1.981 463 2HB ARG 64 1HB ARG 64 -5.927 7.702 -2.032 464 1HG ARG 64 2HG ARG 64 -7.474 6.623 -4.288 465 2HG ARG 64 1HG ARG 64 -7.551 8.374 -4.245 466 1HD ARG 64 2HD ARG 64 -5.580 7.375 -5.559 467 2HD ARG 64 1HD ARG 64 -5.162 8.599 -4.377 468 HE ARG 64 HE ARG 64 -4.979 6.254 -2.921 469 1HH1 ARG 64 2HH2 ARG 64 -3.592 7.334 -5.970 470 2HH1 ARG 64 1HH2 ARG 64 -2.163 6.368 -5.809 471 1HH2 ARG 64 2HH1 ARG 64 -3.093 4.980 -2.708 472 2HH2 ARG 64 1HH1 ARG 64 -1.877 5.021 -3.940 473 H LYS 65 H LYS 65 -9.105 6.510 0.027 474 HA LYS 65 HA LYS 65 -7.413 7.049 2.150 475 1HB LYS 65 2HB LYS 65 -9.373 6.752 3.543 476 2HB LYS 65 1HB LYS 65 -9.802 7.613 2.079 477 1HG LYS 65 2HG LYS 65 -11.346 6.033 1.583 478 2HG LYS 65 1HG LYS 65 -10.093 4.811 1.514 479 1HD LYS 65 2HD LYS 65 -11.164 5.713 4.204 480 2HD LYS 65 1HD LYS 65 -12.075 4.560 3.250 481 1HE LYS 65 2HE LYS 65 -9.911 3.166 3.087 482 2HE LYS 65 1HE LYS 65 -9.221 4.244 4.283 483 1HZ LYS 65 1HZ LYS 65 -10.186 2.361 5.342 484 2HZ LYS 65 2HZ LYS 65 -11.080 3.670 5.735 485 3HZ LYS 65 3HZ LYS 65 -11.634 2.603 4.630 486 H GLU 66 H GLU 66 -8.520 3.972 0.737 487 HA GLU 66 HA GLU 66 -7.553 2.473 2.956 488 1HB GLU 66 2HB GLU 66 -9.444 1.602 1.712 489 2HB GLU 66 1HB GLU 66 -8.573 1.695 0.194 490 1HG GLU 66 2HG GLU 66 -7.235 -0.173 0.676 491 2HG GLU 66 1HG GLU 66 -7.362 0.045 2.410 492 H TRP 67 H TRP 67 -6.304 3.732 -0.093 493 HA TRP 67 HA TRP 67 -3.913 2.057 0.193 494 1HB TRP 67 2HB TRP 67 -4.540 3.794 -2.176 495 2HB TRP 67 1HB TRP 67 -3.472 2.408 -2.071 496 HD1 TRP 67 HD TRP 67 -7.152 3.280 -2.624 497 HE1 TRP 67 1HE TRP 67 -8.558 1.167 -3.346 498 HE3 TRP 67 3HE TRP 67 -3.484 -0.124 -1.717 499 HZ2 TRP 67 2HZ TRP 67 -7.992 -1.628 -3.455 500 HZ3 TRP 67 3HZ TRP 67 -3.993 -2.523 -2.158 501 HH2 TRP 67 HH TRP 67 -6.156 -3.295 -2.997 502 H ASP 68 H ASP 68 -4.898 4.548 1.780 503 HA ASP 68 HA ASP 68 -2.968 6.503 0.970 504 1HB ASP 68 2HB ASP 68 -4.838 7.611 1.778 505 2HB ASP 68 1HB ASP 68 -5.248 6.326 2.897 506 H THR 69 H THR 69 -3.514 3.960 3.415 507 HA THR 69 HA THR 69 -0.863 4.562 4.554 508 HB THR 69 HB THR 69 -1.731 4.247 6.723 509 HG1 THR 69 1HG THR 69 -3.846 3.018 6.860 510 1HG2 THR 69 1HG2 THR 69 -3.914 5.360 6.939 511 2HG2 THR 69 2HG2 THR 69 -2.982 6.203 5.679 512 3HG2 THR 69 3HG2 THR 69 -4.271 5.066 5.220 513 HA PRO 70 HA PRO 70 0.168 0.463 3.810 514 1HB PRO 70 2HB PRO 70 1.666 -0.275 5.972 515 2HB PRO 70 1HB PRO 70 2.290 0.714 4.668 516 1HG PRO 70 2HG PRO 70 1.498 1.529 7.397 517 2HG PRO 70 1HG PRO 70 2.500 2.386 6.243 518 1HD PRO 70 2HD PRO 70 -0.238 2.946 6.889 519 2HD PRO 70 1HD PRO 70 0.729 3.727 5.652 520 H ASN 71 H ASN 71 -1.146 0.876 7.033 521 HA ASN 71 HA ASN 71 -1.741 -1.785 7.428 522 1HB ASN 71 2HB ASN 71 -2.428 0.813 8.631 523 2HB ASN 71 1HB ASN 71 -3.798 -0.279 8.693 524 1HD2 ASN 71 1HD2 ASN 71 -2.486 0.617 10.949 525 2HD2 ASN 71 2HD2 ASN 71 -1.683 -0.695 11.744 526 H LYS 72 H LYS 72 -3.945 0.972 6.474 527 HA LYS 72 HA LYS 72 -6.212 -0.400 5.965 528 1HB LYS 72 2HB LYS 72 -5.016 2.131 5.069 529 2HB LYS 72 1HB LYS 72 -6.187 1.478 3.943 530 1HG LYS 72 2HG LYS 72 -7.950 1.837 5.365 531 2HG LYS 72 1HG LYS 72 -7.061 1.281 6.768 532 1HD LYS 72 2HD LYS 72 -6.048 3.410 7.131 533 2HD LYS 72 1HD LYS 72 -6.378 3.952 5.497 534 1HE LYS 72 2HE LYS 72 -8.042 5.089 6.699 535 2HE LYS 72 1HE LYS 72 -8.918 3.665 6.172 536 1HZ LYS 72 1HZ LYS 72 -8.323 2.653 8.318 537 2HZ LYS 72 2HZ LYS 72 -7.673 4.071 8.800 538 3HZ LYS 72 3HZ LYS 72 -9.270 3.974 8.474 539 H ILE 73 H ILE 73 -3.219 -0.337 4.037 540 HA ILE 73 HA ILE 73 -4.450 -1.653 1.806 541 HB ILE 73 HB ILE 73 -1.697 -0.748 2.543 542 1HG1 ILE 73 2HG1 ILE 73 -3.739 -0.109 0.428 543 2HG1 ILE 73 1HG1 ILE 73 -2.944 0.966 1.561 544 1HG2 ILE 73 1HG2 ILE 73 -1.435 -3.029 1.623 545 2HG2 ILE 73 2HG2 ILE 73 -2.310 -2.517 0.161 546 3HG2 ILE 73 3HG2 ILE 73 -0.748 -1.769 0.569 547 1HD1 ILE 73 1HD1 ILE 73 -1.586 -0.470 -0.769 548 2HD1 ILE 73 2HD1 ILE 73 -2.017 1.257 -0.712 549 3HD1 ILE 73 3HD1 ILE 73 -0.773 0.615 0.386 550 H ILE 74 H ILE 74 -2.142 -2.563 4.452 551 HA ILE 74 HA ILE 74 -1.766 -5.178 3.766 552 HB ILE 74 HB ILE 74 -1.610 -3.552 6.209 553 1HG1 ILE 74 2HG1 ILE 74 0.264 -5.730 5.294 554 2HG1 ILE 74 1HG1 ILE 74 0.212 -4.183 4.471 555 1HG2 ILE 74 1HG2 ILE 74 -1.101 -5.720 7.536 556 2HG2 ILE 74 2HG2 ILE 74 -2.791 -5.195 7.344 557 3HG2 ILE 74 3HG2 ILE 74 -2.147 -6.509 6.330 558 1HD1 ILE 74 1HD1 ILE 74 0.721 -2.989 6.558 559 2HD1 ILE 74 2HD1 ILE 74 0.639 -4.512 7.477 560 3HD1 ILE 74 3HD1 ILE 74 1.940 -4.257 6.288 561 H ALA 75 H ALA 75 -4.675 -3.590 4.932 562 HA ALA 75 HA ALA 75 -5.909 -6.105 5.665 563 1HB ALA 75 1HB ALA 75 -7.889 -4.525 6.055 564 2HB ALA 75 2HB ALA 75 -6.450 -4.254 7.067 565 3HB ALA 75 3HB ALA 75 -6.771 -3.194 5.673 566 H LYS 76 H LYS 76 -5.805 -3.740 2.991 567 HA LYS 76 HA LYS 76 -8.058 -4.838 1.648 568 1HB LYS 76 2HB LYS 76 -7.210 -2.481 1.432 569 2HB LYS 76 1HB LYS 76 -5.836 -3.100 0.538 570 1HG LYS 76 2HG LYS 76 -7.661 -2.332 -0.981 571 2HG LYS 76 1HG LYS 76 -7.313 -4.037 -1.193 572 1HD LYS 76 2HD LYS 76 -9.285 -4.716 -0.033 573 2HD LYS 76 1HD LYS 76 -9.483 -3.156 0.739 574 1HE LYS 76 2HE LYS 76 -10.401 -2.160 -1.174 575 2HE LYS 76 1HE LYS 76 -9.554 -3.229 -2.274 576 1HZ LYS 76 1HZ LYS 76 -11.429 -4.521 -0.526 577 2HZ LYS 76 2HZ LYS 76 -12.096 -3.507 -1.619 578 3HZ LYS 76 3HZ LYS 76 -11.161 -4.749 -2.121 579 H VAL 77 H VAL 77 -4.571 -5.503 1.794 580 HA VAL 77 HA VAL 77 -4.496 -7.051 -0.576 581 HB VAL 77 HB VAL 77 -2.709 -6.860 1.853 582 1HG1 VAL 77 1HG1 VAL 77 -1.476 -8.576 1.137 583 2HG1 VAL 77 2HG1 VAL 77 -2.755 -8.941 -0.046 584 3HG1 VAL 77 3HG1 VAL 77 -1.391 -7.894 -0.506 585 1HG2 VAL 77 1HG2 VAL 77 -1.238 -5.591 0.318 586 2HG2 VAL 77 2HG2 VAL 77 -2.478 -5.718 -0.952 587 3HG2 VAL 77 3HG2 VAL 77 -2.822 -4.811 0.541 588 H GLU 78 H GLU 78 -5.229 -7.679 2.871 589 HA GLU 78 HA GLU 78 -5.282 -10.501 2.407 590 1HB GLU 78 2HB GLU 78 -6.171 -8.907 4.852 591 2HB GLU 78 1HB GLU 78 -5.916 -10.640 4.792 592 1HG GLU 78 2HG GLU 78 -3.588 -9.082 3.817 593 2HG GLU 78 1HG GLU 78 -3.994 -8.744 5.487 594 H GLN 79 H GLN 79 -7.521 -7.750 2.495 595 HA GLN 79 HA GLN 79 -9.790 -9.519 2.546 596 1HB GLN 79 2HB GLN 79 -9.523 -7.136 3.676 597 2HB GLN 79 1HB GLN 79 -9.965 -6.535 2.091 598 1HG GLN 79 2HG GLN 79 -11.998 -8.111 2.184 599 2HG GLN 79 1HG GLN 79 -11.595 -8.409 3.862 600 1HE2 GLN 79 1HE2 GLN 79 -12.405 -7.126 5.342 601 2HE2 GLN 79 2HE2 GLN 79 -13.099 -5.558 5.099 602 H ALA 80 H ALA 80 -7.716 -9.379 0.275 603 HA ALA 80 HA ALA 80 -9.632 -8.762 -1.871 604 1HB ALA 80 1HB ALA 80 -6.714 -8.183 -1.513 605 2HB ALA 80 2HB ALA 80 -7.281 -8.599 -3.148 606 3HB ALA 80 3HB ALA 80 -7.984 -7.208 -2.289 607 H GLN 81 H GLN 81 -7.051 -10.918 -0.597 608 HA GLN 81 HA GLN 81 -6.901 -12.673 -2.661 609 1HB GLN 81 2HB GLN 81 -6.829 -13.367 0.309 610 2HB GLN 81 1HB GLN 81 -6.129 -14.320 -0.984 611 1HG GLN 81 2HG GLN 81 -4.289 -12.970 -1.153 612 2HG GLN 81 1HG GLN 81 -5.238 -11.502 -1.048 613 1HE2 GLN 81 1HE2 GLN 81 -3.283 -10.935 0.238 614 2HE2 GLN 81 2HE2 GLN 81 -3.307 -11.225 1.946 Start of MODEL 22 1 H ALA 2 H ALA 2 -0.250 -18.511 9.976 2 HA ALA 2 HA ALA 2 -1.440 -17.116 7.885 3 1HB ALA 2 1HB ALA 2 -1.367 -15.311 9.343 4 2HB ALA 2 2HB ALA 2 -1.178 -16.665 10.483 5 3HB ALA 2 3HB ALA 2 0.247 -15.737 9.961 6 H ASP 3 H ASP 3 -0.659 -16.121 6.077 7 HA ASP 3 HA ASP 3 2.011 -16.596 5.378 8 1HB ASP 3 2HB ASP 3 1.361 -14.946 3.450 9 2HB ASP 3 1HB ASP 3 0.540 -16.491 3.546 10 H GLU 4 H GLU 4 3.762 -15.364 6.078 11 HA GLU 4 HA GLU 4 3.181 -12.681 7.011 12 1HB GLU 4 2HB GLU 4 4.470 -14.530 8.369 13 2HB GLU 4 1HB GLU 4 5.834 -14.107 7.352 14 1HG GLU 4 2HG GLU 4 6.230 -12.526 8.965 15 2HG GLU 4 1HG GLU 4 5.032 -11.599 8.083 16 H ALA 5 H ALA 5 4.468 -14.403 4.316 17 HA ALA 5 HA ALA 5 6.435 -12.504 3.539 18 1HB ALA 5 1HB ALA 5 6.397 -14.917 2.873 19 2HB ALA 5 2HB ALA 5 4.950 -14.589 1.891 20 3HB ALA 5 3HB ALA 5 6.497 -13.811 1.483 21 H ILE 6 H ILE 6 3.036 -12.408 3.715 22 HA ILE 6 HA ILE 6 2.776 -10.702 1.373 23 HB ILE 6 HB ILE 6 0.984 -12.304 3.071 24 1HG1 ILE 6 2HG1 ILE 6 1.018 -11.478 0.156 25 2HG1 ILE 6 1HG1 ILE 6 1.550 -13.008 0.823 26 1HG2 ILE 6 1HG2 ILE 6 -0.956 -10.780 2.140 27 2HG2 ILE 6 2HG2 ILE 6 -0.172 -10.432 3.701 28 3HG2 ILE 6 3HG2 ILE 6 0.291 -9.514 2.249 29 1HD1 ILE 6 1HD1 ILE 6 -1.198 -12.053 0.254 30 2HD1 ILE 6 2HD1 ILE 6 -0.569 -13.715 0.349 31 3HD1 ILE 6 3HD1 ILE 6 -1.019 -12.849 1.836 32 H LYS 7 H LYS 7 2.250 -10.616 4.961 33 HA LYS 7 HA LYS 7 1.618 -7.897 5.044 34 1HB LYS 7 2HB LYS 7 1.573 -9.970 6.811 35 2HB LYS 7 1HB LYS 7 2.966 -9.085 7.398 36 1HG LYS 7 2HG LYS 7 0.867 -7.190 6.746 37 2HG LYS 7 1HG LYS 7 0.192 -8.449 7.763 38 1HD LYS 7 2HD LYS 7 2.844 -7.162 8.493 39 2HD LYS 7 1HD LYS 7 1.339 -6.356 8.888 40 1HE LYS 7 2HE LYS 7 0.968 -9.060 9.694 41 2HE LYS 7 1HE LYS 7 2.595 -8.650 10.197 42 1HZ LYS 7 1HZ LYS 7 0.205 -7.050 10.800 43 2HZ LYS 7 2HZ LYS 7 0.952 -8.057 11.846 44 3HZ LYS 7 3HZ LYS 7 1.723 -6.722 11.306 45 H ASN 8 H ASN 8 4.716 -9.679 5.022 46 HA ASN 8 HA ASN 8 6.236 -7.426 5.738 47 1HB ASN 8 2HB ASN 8 6.741 -10.118 5.578 48 2HB ASN 8 1HB ASN 8 7.474 -9.603 4.072 49 1HD2 ASN 8 1HD2 ASN 8 8.923 -10.701 6.146 50 2HD2 ASN 8 2HD2 ASN 8 10.001 -9.524 6.820 51 H GLY 9 H GLY 9 5.792 -9.295 2.631 52 1HA GLY 9 2HA GLY 9 7.205 -7.694 0.911 53 2HA GLY 9 1HA GLY 9 5.793 -8.638 0.479 54 H VAL 10 H VAL 10 3.679 -7.436 1.778 55 HA VAL 10 HA VAL 10 3.033 -5.330 0.167 56 HB VAL 10 HB VAL 10 2.090 -6.261 2.860 57 1HG1 VAL 10 1HG1 VAL 10 1.085 -3.848 1.323 58 2HG1 VAL 10 2HG1 VAL 10 0.137 -4.685 2.577 59 3HG1 VAL 10 3HG1 VAL 10 1.683 -3.908 2.999 60 1HG2 VAL 10 1HG2 VAL 10 0.814 -7.605 1.625 61 2HG2 VAL 10 2HG2 VAL 10 0.079 -6.196 0.824 62 3HG2 VAL 10 3HG2 VAL 10 1.546 -6.940 0.145 63 H LEU 11 H LEU 11 4.707 -5.323 3.349 64 HA LEU 11 HA LEU 11 4.705 -2.473 3.506 65 1HB LEU 11 2HB LEU 11 4.850 -4.353 5.348 66 2HB LEU 11 1HB LEU 11 6.572 -4.219 5.054 67 HG LEU 11 HG LEU 11 6.634 -1.954 5.764 68 1HD1 LEU 11 1HD1 LEU 11 3.719 -2.025 5.226 69 2HD1 LEU 11 2HD1 LEU 11 4.248 -1.029 6.604 70 3HD1 LEU 11 3HD1 LEU 11 4.909 -0.724 4.980 71 1HD2 LEU 11 1HD2 LEU 11 6.409 -2.322 7.973 72 2HD2 LEU 11 2HD2 LEU 11 4.714 -2.847 7.827 73 3HD2 LEU 11 3HD2 LEU 11 6.032 -3.983 7.453 74 H ASP 12 H ASP 12 7.176 -5.021 2.749 75 HA ASP 12 HA ASP 12 9.283 -3.380 2.342 76 1HB ASP 12 2HB ASP 12 8.841 -6.041 2.061 77 2HB ASP 12 1HB ASP 12 8.842 -5.606 0.363 78 H ILE 13 H ILE 13 6.499 -4.164 0.209 79 HA ILE 13 HA ILE 13 7.610 -2.842 -2.070 80 HB ILE 13 HB ILE 13 5.157 -4.330 -1.374 81 1HG1 ILE 13 2HG1 ILE 13 6.179 -4.461 -4.109 82 2HG1 ILE 13 1HG1 ILE 13 7.439 -4.740 -2.922 83 1HG2 ILE 13 1HG2 ILE 13 5.164 -2.241 -3.569 84 2HG2 ILE 13 2HG2 ILE 13 3.949 -3.527 -3.376 85 3HG2 ILE 13 3HG2 ILE 13 4.126 -2.275 -2.123 86 1HD1 ILE 13 1HD1 ILE 13 6.503 -6.893 -3.295 87 2HD1 ILE 13 2HD1 ILE 13 5.759 -6.360 -1.769 88 3HD1 ILE 13 3HD1 ILE 13 4.838 -6.265 -3.288 89 H LEU 14 H LEU 14 5.826 -1.939 0.813 90 HA LEU 14 HA LEU 14 4.807 0.488 -0.333 91 1HB LEU 14 2HB LEU 14 4.679 -0.925 2.272 92 2HB LEU 14 1HB LEU 14 4.508 0.818 2.316 93 HG LEU 14 HG LEU 14 2.841 -0.767 0.388 94 1HD1 LEU 14 1HD1 LEU 14 2.702 -0.928 3.325 95 2HD1 LEU 14 2HD1 LEU 14 1.164 -0.528 2.524 96 3HD1 LEU 14 3HD1 LEU 14 2.042 -2.010 2.075 97 1HD2 LEU 14 1HD2 LEU 14 1.890 1.584 1.973 98 2HD2 LEU 14 2HD2 LEU 14 3.044 1.851 0.644 99 3HD2 LEU 14 3HD2 LEU 14 1.478 1.071 0.318 100 H ALA 15 H ALA 15 7.284 -0.345 2.196 101 HA ALA 15 HA ALA 15 8.250 2.250 2.456 102 1HB ALA 15 1HB ALA 15 9.038 0.985 4.172 103 2HB ALA 15 2HB ALA 15 9.053 -0.505 3.197 104 3HB ALA 15 3HB ALA 15 10.395 0.656 3.069 105 H ASP 16 H ASP 16 8.713 -0.215 -0.026 106 HA ASP 16 HA ASP 16 11.119 0.890 -1.003 107 1HB ASP 16 2HB ASP 16 9.105 -1.157 -1.923 108 2HB ASP 16 1HB ASP 16 10.198 -0.504 -3.128 109 H LEU 17 H LEU 17 7.592 1.151 -1.688 110 HA LEU 17 HA LEU 17 7.783 2.558 -4.094 111 1HB LEU 17 2HB LEU 17 5.795 1.453 -2.591 112 2HB LEU 17 1HB LEU 17 5.501 3.162 -2.333 113 HG LEU 17 HG LEU 17 5.588 1.717 -4.994 114 1HD1 LEU 17 1HD1 LEU 17 3.545 1.277 -3.811 115 2HD1 LEU 17 2HD1 LEU 17 3.330 3.004 -3.439 116 3HD1 LEU 17 3HD1 LEU 17 3.207 2.434 -5.121 117 1HD2 LEU 17 1HD2 LEU 17 4.910 4.633 -4.631 118 2HD2 LEU 17 2HD2 LEU 17 6.571 4.083 -4.960 119 3HD2 LEU 17 3HD2 LEU 17 5.273 3.741 -6.129 120 H THR 18 H THR 18 7.360 3.724 -0.681 121 HA THR 18 HA THR 18 7.432 6.443 -1.326 122 HB THR 18 HB THR 18 7.703 6.702 1.093 123 HG1 THR 18 1HG THR 18 8.430 4.725 2.254 124 1HG2 THR 18 1HG2 THR 18 5.774 4.902 0.002 125 2HG2 THR 18 2HG2 THR 18 6.437 4.090 1.440 126 3HG2 THR 18 3HG2 THR 18 5.706 5.706 1.588 127 H GLY 19 H GLY 19 10.080 4.157 -0.430 128 1HA GLY 19 2HA GLY 19 12.141 4.495 -1.708 129 2HA GLY 19 1HA GLY 19 11.972 6.214 -1.409 130 H SER 20 H SER 20 10.777 4.984 1.391 131 HA SER 20 HA SER 20 13.323 4.324 2.564 132 1HB SER 20 2HB SER 20 12.957 6.884 2.644 133 2HB SER 20 1HB SER 20 11.648 6.563 3.765 134 HG SER 20 HG SER 20 14.158 5.332 4.312 135 H ASP 21 H ASP 21 13.027 3.518 4.873 136 HA ASP 21 HA ASP 21 10.612 1.998 4.952 137 1HB ASP 21 2HB ASP 21 11.806 1.296 7.248 138 2HB ASP 21 1HB ASP 21 12.348 0.664 5.706 139 H ASP 22 H ASP 22 9.613 4.447 5.168 140 HA ASP 22 HA ASP 22 9.732 5.365 7.885 141 1HB ASP 22 2HB ASP 22 7.734 6.806 6.510 142 2HB ASP 22 1HB ASP 22 9.379 7.329 6.811 143 H VAL 23 H VAL 23 7.330 4.138 5.447 144 HA VAL 23 HA VAL 23 5.225 4.034 7.389 145 HB VAL 23 HB VAL 23 3.992 2.959 5.516 146 1HG1 VAL 23 1HG1 VAL 23 4.782 5.162 3.955 147 2HG1 VAL 23 2HG1 VAL 23 3.457 5.094 5.141 148 3HG1 VAL 23 3HG1 VAL 23 5.073 5.643 5.644 149 1HG2 VAL 23 1HG2 VAL 23 4.930 2.343 3.534 150 2HG2 VAL 23 2HG2 VAL 23 6.177 3.612 3.598 151 3HG2 VAL 23 3HG2 VAL 23 6.367 2.130 4.566 152 H LYS 24 H LYS 24 7.990 2.174 6.780 153 HA LYS 24 HA LYS 24 6.928 -0.419 7.044 154 1HB LYS 24 2HB LYS 24 9.108 -0.048 6.074 155 2HB LYS 24 1HB LYS 24 9.693 0.721 7.535 156 1HG LYS 24 2HG LYS 24 8.586 -1.885 8.207 157 2HG LYS 24 1HG LYS 24 9.727 -2.068 6.890 158 1HD LYS 24 2HD LYS 24 11.532 -1.530 8.201 159 2HD LYS 24 1HD LYS 24 10.680 -0.238 9.024 160 1HE LYS 24 2HE LYS 24 9.373 -2.086 10.281 161 2HE LYS 24 1HE LYS 24 10.531 -3.225 9.624 162 1HZ LYS 24 1HZ LYS 24 11.149 -0.911 11.324 163 2HZ LYS 24 2HZ LYS 24 11.263 -2.486 11.738 164 3HZ LYS 24 3HZ LYS 24 12.282 -1.859 10.626 165 H LYS 25 H LYS 25 8.045 2.080 9.372 166 HA LYS 25 HA LYS 25 7.476 0.261 11.567 167 1HB LYS 25 2HB LYS 25 8.551 1.899 12.964 168 2HB LYS 25 1HB LYS 25 9.564 1.585 11.569 169 1HG LYS 25 2HG LYS 25 9.612 3.914 11.581 170 2HG LYS 25 1HG LYS 25 8.249 3.648 10.511 171 1HD LYS 25 2HD LYS 25 7.146 5.056 11.944 172 2HD LYS 25 1HD LYS 25 6.955 3.618 12.928 173 1HE LYS 25 2HE LYS 25 8.935 4.176 14.257 174 2HE LYS 25 1HE LYS 25 9.348 5.497 13.181 175 1HZ LYS 25 1HZ LYS 25 8.015 6.793 14.328 176 2HZ LYS 25 2HZ LYS 25 6.725 5.828 14.063 177 3HZ LYS 25 3HZ LYS 25 7.677 5.578 15.365 178 H ASN 26 H ASN 26 6.370 3.377 10.125 179 HA ASN 26 HA ASN 26 4.325 3.628 12.079 180 1HB ASN 26 2HB ASN 26 5.594 5.383 10.352 181 2HB ASN 26 1HB ASN 26 4.083 5.132 9.501 182 1HD2 ASN 26 1HD2 ASN 26 2.245 6.022 10.214 183 2HD2 ASN 26 2HD2 ASN 26 2.087 7.010 11.628 184 H LEU 27 H LEU 27 2.208 2.820 11.892 185 HA LEU 27 HA LEU 27 1.536 1.570 9.322 186 1HB LEU 27 2HB LEU 27 0.874 0.873 12.169 187 2HB LEU 27 1HB LEU 27 -0.124 0.305 10.845 188 HG LEU 27 HG LEU 27 2.841 -0.244 11.157 189 1HD1 LEU 27 1HD1 LEU 27 2.272 -1.850 12.576 190 2HD1 LEU 27 2HD1 LEU 27 0.542 -1.490 12.362 191 3HD1 LEU 27 3HD1 LEU 27 1.355 -2.634 11.267 192 1HD2 LEU 27 1HD2 LEU 27 1.490 -2.032 9.364 193 2HD2 LEU 27 2HD2 LEU 27 1.204 -0.350 8.855 194 3HD2 LEU 27 3HD2 LEU 27 2.869 -0.948 9.057 195 H ASP 28 H ASP 28 1.291 4.387 9.638 196 HA ASP 28 HA ASP 28 -1.391 4.654 8.934 197 1HB ASP 28 2HB ASP 28 -0.939 4.795 11.725 198 2HB ASP 28 1HB ASP 28 -1.048 6.469 11.220 199 H LEU 29 H LEU 29 1.341 5.252 7.991 200 HA LEU 29 HA LEU 29 1.554 8.142 8.267 201 1HB LEU 29 2HB LEU 29 3.555 6.827 8.606 202 2HB LEU 29 1HB LEU 29 3.369 6.064 7.039 203 HG LEU 29 HG LEU 29 3.772 8.197 5.912 204 1HD1 LEU 29 1HD1 LEU 29 3.756 9.281 8.716 205 2HD1 LEU 29 2HD1 LEU 29 4.690 10.090 7.434 206 3HD1 LEU 29 3HD1 LEU 29 2.931 9.884 7.258 207 1HD2 LEU 29 1HD2 LEU 29 6.102 8.327 7.637 208 2HD2 LEU 29 2HD2 LEU 29 5.643 6.644 7.280 209 3HD2 LEU 29 3HD2 LEU 29 5.955 7.783 5.948 210 H ASN 30 H ASN 30 0.005 9.134 7.027 211 HA ASN 30 HA ASN 30 -1.251 8.294 4.883 212 1HB ASN 30 2HB ASN 30 -0.050 11.104 4.936 213 2HB ASN 30 1HB ASN 30 -1.587 10.623 4.244 214 1HD2 ASN 30 1HD2 ASN 30 -2.598 8.968 6.190 215 2HD2 ASN 30 2HD2 ASN 30 -2.951 9.862 7.630 216 H LEU 31 H LEU 31 -0.568 7.435 2.915 217 HA LEU 31 HA LEU 31 2.147 7.814 2.084 218 1HB LEU 31 2HB LEU 31 -0.165 6.341 0.813 219 2HB LEU 31 1HB LEU 31 1.493 6.299 0.247 220 HG LEU 31 HG LEU 31 1.229 5.582 3.082 221 1HD1 LEU 31 1HD1 LEU 31 -0.505 4.274 1.066 222 2HD1 LEU 31 2HD1 LEU 31 0.411 3.194 2.143 223 3HD1 LEU 31 3HD1 LEU 31 -0.687 4.415 2.831 224 1HD2 LEU 31 1HD2 LEU 31 3.043 4.344 2.641 225 2HD2 LEU 31 2HD2 LEU 31 2.334 3.642 1.167 226 3HD2 LEU 31 3HD2 LEU 31 3.093 5.251 1.111 227 H PHE 32 H PHE 32 -0.676 9.657 1.843 228 HA PHE 32 HA PHE 32 0.234 10.811 -0.699 229 1HB PHE 32 2HB PHE 32 -2.457 10.723 0.786 230 2HB PHE 32 1HB PHE 32 -2.205 11.726 -0.628 231 HD1 PHE 32 1HD PHE 32 -3.940 9.065 0.143 232 HD2 PHE 32 2HD PHE 32 -0.663 9.971 -2.396 233 HE1 PHE 32 1HE PHE 32 -4.552 7.132 -1.337 234 HE2 PHE 32 2HE PHE 32 -1.274 8.038 -3.876 235 HZ PHE 32 HZ PHE 32 -3.211 6.642 -3.330 236 H GLU 33 H GLU 33 -1.007 11.511 2.623 237 HA GLU 33 HA GLU 33 -0.670 14.287 2.328 238 1HB GLU 33 2HB GLU 33 -1.945 12.617 4.138 239 2HB GLU 33 1HB GLU 33 -0.589 13.195 5.085 240 1HG GLU 33 2HG GLU 33 -1.606 15.470 3.677 241 2HG GLU 33 1HG GLU 33 -3.003 14.618 4.303 242 H THR 34 H THR 34 1.530 11.684 2.742 243 HA THR 34 HA THR 34 3.502 13.356 4.113 244 HB THR 34 HB THR 34 3.528 10.401 3.301 245 HG1 THR 34 1HG THR 34 2.891 11.963 5.700 246 1HG2 THR 34 1HG2 THR 34 5.166 11.925 5.392 247 2HG2 THR 34 2HG2 THR 34 5.313 10.200 4.977 248 3HG2 THR 34 3HG2 THR 34 5.800 11.444 3.801 249 H GLY 35 H GLY 35 2.463 12.525 0.945 250 1HA GLY 35 2HA GLY 35 3.302 13.340 -1.012 251 2HA GLY 35 1HA GLY 35 4.729 13.921 -0.178 252 H LEU 36 H LEU 36 4.498 10.846 0.985 253 HA LEU 36 HA LEU 36 6.682 9.888 -0.396 254 1HB LEU 36 2HB LEU 36 4.513 8.473 1.153 255 2HB LEU 36 1HB LEU 36 5.938 7.662 0.536 256 HG LEU 36 HG LEU 36 6.076 10.030 2.414 257 1HD1 LEU 36 1HD1 LEU 36 5.616 7.139 2.975 258 2HD1 LEU 36 2HD1 LEU 36 6.734 8.029 4.037 259 3HD1 LEU 36 3HD1 LEU 36 5.054 8.586 3.846 260 1HD2 LEU 36 1HD2 LEU 36 8.034 8.754 0.869 261 2HD2 LEU 36 2HD2 LEU 36 8.282 9.906 2.202 262 3HD2 LEU 36 3HD2 LEU 36 8.274 8.157 2.528 263 H LEU 37 H LEU 37 3.155 9.392 -0.987 264 HA LEU 37 HA LEU 37 3.913 8.213 -3.569 265 1HB LEU 37 2HB LEU 37 2.278 7.200 -1.505 266 2HB LEU 37 1HB LEU 37 1.197 7.669 -2.802 267 HG LEU 37 HG LEU 37 3.617 6.036 -3.476 268 1HD1 LEU 37 1HD1 LEU 37 1.498 5.186 -1.654 269 2HD1 LEU 37 2HD1 LEU 37 1.649 4.136 -3.083 270 3HD1 LEU 37 3HD1 LEU 37 3.061 4.425 -2.038 271 1HD2 LEU 37 1HD2 LEU 37 0.930 6.601 -4.645 272 2HD2 LEU 37 2HD2 LEU 37 2.530 6.515 -5.421 273 3HD2 LEU 37 3HD2 LEU 37 1.676 5.018 -4.972 274 H ASP 38 H ASP 38 2.143 8.606 -5.299 275 HA ASP 38 HA ASP 38 0.976 11.234 -4.886 276 1HB ASP 38 2HB ASP 38 3.065 10.444 -6.818 277 2HB ASP 38 1HB ASP 38 1.672 11.150 -7.612 278 H SER 39 H SER 39 1.312 8.286 -6.983 279 HA SER 39 HA SER 39 -1.280 7.559 -6.930 280 1HB SER 39 2HB SER 39 -1.697 8.369 -9.515 281 2HB SER 39 1HB SER 39 -2.342 9.194 -8.110 282 HG SER 39 HG SER 39 -0.343 9.997 -9.893 283 H MET 40 H MET 40 1.245 8.189 -9.480 284 HA MET 40 HA MET 40 0.909 5.920 -10.913 285 1HB MET 40 2HB MET 40 3.327 7.638 -10.221 286 2HB MET 40 1HB MET 40 3.544 6.229 -11.238 287 1HG MET 40 2HG MET 40 1.379 7.354 -12.483 288 2HG MET 40 1HG MET 40 2.125 8.801 -11.835 289 1HE MET 40 1HE MET 40 2.512 6.520 -15.206 290 2HE MET 40 2HE MET 40 3.899 5.638 -14.522 291 3HE MET 40 3HE MET 40 2.348 5.673 -13.648 292 H GLY 41 H GLY 41 2.339 6.301 -7.704 293 1HA GLY 41 2HA GLY 41 3.896 3.961 -7.612 294 2HA GLY 41 1HA GLY 41 3.228 4.837 -6.249 295 H THR 42 H THR 42 0.502 4.636 -6.481 296 HA THR 42 HA THR 42 -0.076 2.142 -5.497 297 HB THR 42 HB THR 42 -1.473 4.572 -6.371 298 HG1 THR 42 1HG THR 42 -1.174 3.669 -4.176 299 1HG2 THR 42 1HG2 THR 42 -2.747 1.848 -6.866 300 2HG2 THR 42 2HG2 THR 42 -3.733 3.240 -6.356 301 3HG2 THR 42 3HG2 THR 42 -2.827 3.304 -7.888 302 H VAL 43 H VAL 43 0.187 3.188 -8.879 303 HA VAL 43 HA VAL 43 -1.175 0.995 -9.983 304 HB VAL 43 HB VAL 43 1.014 2.754 -11.109 305 1HG1 VAL 43 1HG1 VAL 43 -0.306 0.438 -12.199 306 2HG1 VAL 43 2HG1 VAL 43 -0.771 1.883 -13.131 307 3HG1 VAL 43 3HG1 VAL 43 0.949 1.469 -12.930 308 1HG2 VAL 43 1HG2 VAL 43 -0.747 4.190 -10.475 309 2HG2 VAL 43 2HG2 VAL 43 -1.008 3.885 -12.209 310 3HG2 VAL 43 3HG2 VAL 43 -1.996 3.034 -10.997 311 H GLN 44 H GLN 44 2.377 1.648 -9.557 312 HA GLN 44 HA GLN 44 3.201 -0.802 -10.468 313 1HB GLN 44 2HB GLN 44 4.637 1.229 -10.019 314 2HB GLN 44 1HB GLN 44 4.536 0.883 -8.304 315 1HG GLN 44 2HG GLN 44 5.918 -0.980 -8.446 316 2HG GLN 44 1HG GLN 44 5.385 -1.394 -10.064 317 1HE2 GLN 44 1HE2 GLN 44 7.975 -1.558 -9.615 318 2HE2 GLN 44 2HE2 GLN 44 8.874 -0.273 -10.349 319 H LEU 45 H LEU 45 2.646 0.276 -7.038 320 HA LEU 45 HA LEU 45 3.272 -2.021 -5.743 321 1HB LEU 45 2HB LEU 45 2.693 -0.667 -4.111 322 2HB LEU 45 1HB LEU 45 1.824 0.379 -5.218 323 HG LEU 45 HG LEU 45 -0.183 -1.092 -4.965 324 1HD1 LEU 45 1HD1 LEU 45 1.569 -2.935 -3.929 325 2HD1 LEU 45 2HD1 LEU 45 0.756 -2.316 -2.471 326 3HD1 LEU 45 3HD1 LEU 45 -0.206 -3.001 -3.803 327 1HD2 LEU 45 1HD2 LEU 45 0.312 -0.332 -2.180 328 2HD2 LEU 45 2HD2 LEU 45 0.727 0.941 -3.352 329 3HD2 LEU 45 3HD2 LEU 45 -0.913 0.247 -3.333 330 H LEU 46 H LEU 46 0.289 -1.262 -7.593 331 HA LEU 46 HA LEU 46 -1.144 -3.527 -6.794 332 1HB LEU 46 2HB LEU 46 -1.364 -1.373 -8.733 333 2HB LEU 46 1HB LEU 46 -1.966 -2.887 -9.378 334 HG LEU 46 HG LEU 46 -2.888 -1.524 -6.833 335 1HD1 LEU 46 1HD1 LEU 46 -3.592 -1.052 -9.502 336 2HD1 LEU 46 2HD1 LEU 46 -4.921 -2.026 -8.830 337 3HD1 LEU 46 3HD1 LEU 46 -4.447 -0.504 -8.040 338 1HD2 LEU 46 1HD2 LEU 46 -4.652 -3.611 -7.627 339 2HD2 LEU 46 2HD2 LEU 46 -3.006 -4.285 -7.544 340 3HD2 LEU 46 3HD2 LEU 46 -3.704 -3.461 -6.129 341 H LEU 47 H LEU 47 1.227 -2.933 -9.436 342 HA LEU 47 HA LEU 47 0.879 -5.298 -10.810 343 1HB LEU 47 2HB LEU 47 2.464 -3.099 -11.022 344 2HB LEU 47 1HB LEU 47 3.643 -4.304 -10.544 345 HG LEU 47 HG LEU 47 3.588 -4.140 -12.942 346 1HD1 LEU 47 1HD1 LEU 47 3.014 -6.494 -13.553 347 2HD1 LEU 47 2HD1 LEU 47 4.059 -6.337 -12.121 348 3HD1 LEU 47 3HD1 LEU 47 2.327 -6.696 -11.922 349 1HD2 LEU 47 1HD2 LEU 47 1.438 -4.899 -14.146 350 2HD2 LEU 47 2HD2 LEU 47 0.615 -4.497 -12.620 351 3HD2 LEU 47 3HD2 LEU 47 1.513 -3.241 -13.504 352 H GLU 48 H GLU 48 2.779 -4.575 -7.841 353 HA GLU 48 HA GLU 48 3.781 -7.244 -7.774 354 1HB GLU 48 2HB GLU 48 4.354 -4.718 -6.478 355 2HB GLU 48 1HB GLU 48 4.134 -5.944 -5.245 356 1HG GLU 48 2HG GLU 48 6.325 -6.450 -5.675 357 2HG GLU 48 1HG GLU 48 5.673 -7.346 -7.032 358 H LEU 49 H LEU 49 0.959 -5.503 -6.655 359 HA LEU 49 HA LEU 49 0.375 -7.423 -4.577 360 1HB LEU 49 2HB LEU 49 -0.182 -4.781 -4.910 361 2HB LEU 49 1HB LEU 49 -1.686 -5.502 -5.448 362 HG LEU 49 HG LEU 49 -1.739 -6.790 -3.266 363 1HD1 LEU 49 1HD1 LEU 49 -0.235 -5.085 -1.628 364 2HD1 LEU 49 2HD1 LEU 49 0.083 -6.796 -1.999 365 3HD1 LEU 49 3HD1 LEU 49 0.840 -5.517 -2.978 366 1HD2 LEU 49 1HD2 LEU 49 -2.510 -4.146 -3.891 367 2HD2 LEU 49 2HD2 LEU 49 -3.203 -5.237 -2.666 368 3HD2 LEU 49 3HD2 LEU 49 -1.892 -4.118 -2.222 369 H GLN 50 H GLN 50 0.214 -7.347 -7.949 370 HA GLN 50 HA GLN 50 -2.081 -9.148 -7.889 371 1HB GLN 50 2HB GLN 50 -2.271 -6.956 -9.230 372 2HB GLN 50 1HB GLN 50 -1.080 -7.626 -10.327 373 1HG GLN 50 2HG GLN 50 -2.531 -9.517 -10.870 374 2HG GLN 50 1HG GLN 50 -3.665 -9.079 -9.606 375 1HE2 GLN 50 1HE2 GLN 50 -5.453 -8.341 -10.441 376 2HE2 GLN 50 2HE2 GLN 50 -5.620 -7.226 -11.758 377 H SER 51 H SER 51 1.001 -9.486 -7.495 378 HA SER 51 HA SER 51 1.233 -11.582 -9.507 379 1HB SER 51 2HB SER 51 3.250 -9.522 -8.612 380 2HB SER 51 1HB SER 51 3.828 -11.102 -9.100 381 HG SER 51 HG SER 51 3.398 -10.662 -11.162 382 H GLN 52 H GLN 52 2.524 -10.344 -6.336 383 HA GLN 52 HA GLN 52 3.166 -13.021 -5.560 384 1HB GLN 52 2HB GLN 52 3.369 -10.356 -4.092 385 2HB GLN 52 1HB GLN 52 3.915 -11.881 -3.422 386 1HG GLN 52 2HG GLN 52 4.910 -11.233 -6.174 387 2HG GLN 52 1HG GLN 52 5.517 -10.214 -4.884 388 1HE2 GLN 52 1HE2 GLN 52 7.179 -10.885 -3.751 389 2HE2 GLN 52 2HE2 GLN 52 7.798 -12.500 -3.662 390 H PHE 53 H PHE 53 0.482 -10.799 -5.316 391 HA PHE 53 HA PHE 53 -0.725 -12.547 -3.288 392 1HB PHE 53 2HB PHE 53 -1.486 -9.666 -4.011 393 2HB PHE 53 1HB PHE 53 -1.927 -10.535 -2.554 394 HD1 PHE 53 1HD PHE 53 -0.691 -10.212 -0.617 395 HD2 PHE 53 2HD PHE 53 1.071 -9.245 -4.355 396 HE1 PHE 53 1HE PHE 53 1.288 -9.227 0.571 397 HE2 PHE 53 2HE PHE 53 3.050 -8.259 -3.167 398 HZ PHE 53 HZ PHE 53 3.135 -8.262 -0.718 399 H GLY 54 H GLY 54 -1.306 -10.505 -6.223 400 1HA GLY 54 2HA GLY 54 -2.587 -11.073 -8.038 401 2HA GLY 54 1HA GLY 54 -3.226 -12.460 -7.180 402 H VAL 55 H VAL 55 -3.128 -8.946 -6.268 403 HA VAL 55 HA VAL 55 -5.874 -9.095 -5.453 404 HB VAL 55 HB VAL 55 -3.870 -6.833 -5.567 405 1HG1 VAL 55 1HG1 VAL 55 -5.601 -5.455 -5.245 406 2HG1 VAL 55 2HG1 VAL 55 -6.737 -6.816 -5.082 407 3HG1 VAL 55 3HG1 VAL 55 -5.834 -6.234 -3.662 408 1HG2 VAL 55 1HG2 VAL 55 -3.920 -7.172 -3.043 409 2HG2 VAL 55 2HG2 VAL 55 -4.749 -8.715 -3.364 410 3HG2 VAL 55 3HG2 VAL 55 -3.108 -8.437 -3.995 411 H ASP 56 H ASP 56 -7.647 -7.947 -6.376 412 HA ASP 56 HA ASP 56 -7.130 -7.210 -9.149 413 1HB ASP 56 2HB ASP 56 -9.254 -8.791 -7.809 414 2HB ASP 56 1HB ASP 56 -9.888 -7.581 -8.906 415 H ALA 57 H ALA 57 -6.837 -5.472 -6.748 416 HA ALA 57 HA ALA 57 -9.090 -3.953 -6.206 417 1HB ALA 57 1HB ALA 57 -7.281 -2.185 -5.643 418 2HB ALA 57 2HB ALA 57 -7.222 -3.738 -4.774 419 3HB ALA 57 3HB ALA 57 -6.107 -3.432 -6.127 420 HA PRO 58 HA PRO 58 -9.606 -1.624 -9.818 421 1HB PRO 58 2HB PRO 58 -11.088 0.465 -8.866 422 2HB PRO 58 1HB PRO 58 -11.775 -1.100 -9.252 423 1HG PRO 58 2HG PRO 58 -11.200 0.068 -6.597 424 2HG PRO 58 1HG PRO 58 -12.252 -1.274 -7.002 425 1HD PRO 58 2HD PRO 58 -9.631 -1.435 -5.846 426 2HD PRO 58 1HD PRO 58 -10.636 -2.776 -6.357 427 H VAL 59 H VAL 59 -9.670 0.936 -10.503 428 HA VAL 59 HA VAL 59 -7.434 2.225 -9.195 429 HB VAL 59 HB VAL 59 -7.369 1.398 -12.104 430 1HG1 VAL 59 1HG1 VAL 59 -4.896 2.516 -11.187 431 2HG1 VAL 59 2HG1 VAL 59 -5.964 3.085 -12.492 432 3HG1 VAL 59 3HG1 VAL 59 -6.206 3.664 -10.825 433 1HG2 VAL 59 1HG2 VAL 59 -5.662 0.580 -9.730 434 2HG2 VAL 59 2HG2 VAL 59 -6.770 -0.451 -10.666 435 3HG2 VAL 59 3HG2 VAL 59 -5.294 0.190 -11.428 436 H SER 60 H SER 60 -9.909 2.154 -11.815 437 HA SER 60 HA SER 60 -10.025 4.531 -12.786 438 1HB SER 60 2HB SER 60 -12.589 4.482 -12.449 439 2HB SER 60 1HB SER 60 -11.858 3.106 -13.252 440 HG SER 60 HG SER 60 -13.315 3.160 -10.942 441 H GLU 61 H GLU 61 -11.806 3.987 -9.652 442 HA GLU 61 HA GLU 61 -10.600 6.304 -8.533 443 1HB GLU 61 2HB GLU 61 -13.098 6.592 -9.955 444 2HB GLU 61 1HB GLU 61 -13.408 6.836 -8.248 445 1HG GLU 61 2HG GLU 61 -12.166 8.776 -8.156 446 2HG GLU 61 1HG GLU 61 -10.938 8.168 -9.248 447 H PHE 62 H PHE 62 -10.041 4.229 -7.278 448 HA PHE 62 HA PHE 62 -12.143 3.056 -5.750 449 1HB PHE 62 2HB PHE 62 -10.041 2.035 -4.606 450 2HB PHE 62 1HB PHE 62 -10.177 1.735 -6.328 451 HD1 PHE 62 1HD PHE 62 -8.186 1.870 -7.456 452 HD2 PHE 62 2HD PHE 62 -8.831 4.492 -4.183 453 HE1 PHE 62 1HE PHE 62 -5.913 2.873 -7.812 454 HE2 PHE 62 2HE PHE 62 -6.558 5.496 -4.539 455 HZ PHE 62 HZ PHE 62 -5.126 4.674 -6.349 456 H ASP 63 H ASP 63 -11.049 2.781 -3.189 457 HA ASP 63 HA ASP 63 -11.612 5.407 -2.187 458 1HB ASP 63 2HB ASP 63 -10.933 3.605 -0.068 459 2HB ASP 63 1HB ASP 63 -12.523 4.203 -0.500 460 H ARG 64 H ARG 64 -9.554 6.449 -2.868 461 HA ARG 64 HA ARG 64 -7.076 5.526 -2.492 462 1HB ARG 64 2HB ARG 64 -6.491 8.055 -2.069 463 2HB ARG 64 1HB ARG 64 -7.247 7.617 -3.588 464 1HG ARG 64 2HG ARG 64 -8.930 9.062 -3.130 465 2HG ARG 64 1HG ARG 64 -9.401 8.048 -1.780 466 1HD ARG 64 2HD ARG 64 -7.361 9.336 -0.568 467 2HD ARG 64 1HD ARG 64 -7.716 10.549 -1.781 468 HE ARG 64 HE ARG 64 -9.452 9.746 0.459 469 1HH1 ARG 64 2HH2 ARG 64 -9.245 11.430 -2.623 470 2HH1 ARG 64 1HH2 ARG 64 -10.658 12.391 -2.338 471 1HH2 ARG 64 2HH1 ARG 64 -11.316 11.012 0.836 472 2HH2 ARG 64 1HH1 ARG 64 -11.844 12.152 -0.358 473 H LYS 65 H LYS 65 -9.371 6.658 -0.040 474 HA LYS 65 HA LYS 65 -7.596 7.249 2.017 475 1HB LYS 65 2HB LYS 65 -9.707 7.980 2.481 476 2HB LYS 65 1HB LYS 65 -10.485 6.580 1.768 477 1HG LYS 65 2HG LYS 65 -10.310 5.308 3.710 478 2HG LYS 65 1HG LYS 65 -8.817 6.076 4.213 479 1HD LYS 65 2HD LYS 65 -11.325 7.755 4.151 480 2HD LYS 65 1HD LYS 65 -11.144 6.593 5.449 481 1HE LYS 65 2HE LYS 65 -8.884 7.595 5.983 482 2HE LYS 65 1HE LYS 65 -9.153 8.800 4.740 483 1HZ LYS 65 1HZ LYS 65 -10.441 9.929 6.108 484 2HZ LYS 65 2HZ LYS 65 -11.356 8.632 6.494 485 3HZ LYS 65 3HZ LYS 65 -9.980 8.937 7.321 486 H GLU 66 H GLU 66 -8.808 4.163 0.709 487 HA GLU 66 HA GLU 66 -7.823 2.688 2.929 488 1HB GLU 66 2HB GLU 66 -9.759 1.878 1.657 489 2HB GLU 66 1HB GLU 66 -8.819 1.830 0.179 490 1HG GLU 66 2HG GLU 66 -7.731 -0.122 0.762 491 2HG GLU 66 1HG GLU 66 -7.644 0.303 2.460 492 H TRP 67 H TRP 67 -6.499 4.052 0.016 493 HA TRP 67 HA TRP 67 -4.178 2.262 0.203 494 1HB TRP 67 2HB TRP 67 -4.826 4.094 -2.097 495 2HB TRP 67 1HB TRP 67 -3.693 2.758 -2.051 496 HD1 TRP 67 HD TRP 67 -7.383 3.489 -2.643 497 HE1 TRP 67 1HE TRP 67 -8.702 1.339 -3.417 498 HE3 TRP 67 3HE TRP 67 -3.626 0.199 -1.685 499 HZ2 TRP 67 2HZ TRP 67 -8.042 -1.435 -3.538 500 HZ3 TRP 67 3HZ TRP 67 -4.046 -2.213 -2.159 501 HH2 TRP 67 HH TRP 67 -6.162 -3.046 -3.054 502 H ASP 68 H ASP 68 -5.265 4.928 1.652 503 HA ASP 68 HA ASP 68 -3.193 6.757 0.997 504 1HB ASP 68 2HB ASP 68 -5.078 7.901 1.738 505 2HB ASP 68 1HB ASP 68 -5.532 6.641 2.868 506 H THR 69 H THR 69 -3.955 4.284 3.480 507 HA THR 69 HA THR 69 -1.324 4.792 4.709 508 HB THR 69 HB THR 69 -2.467 3.845 6.799 509 HG1 THR 69 1HG THR 69 -4.570 3.210 6.463 510 1HG2 THR 69 1HG2 THR 69 -3.269 6.423 5.455 511 2HG2 THR 69 2HG2 THR 69 -4.238 5.894 6.851 512 3HG2 THR 69 3HG2 THR 69 -2.488 6.173 7.035 513 HA PRO 70 HA PRO 70 -0.306 0.711 3.867 514 1HB PRO 70 2HB PRO 70 1.262 -0.009 5.986 515 2HB PRO 70 1HB PRO 70 1.840 0.977 4.659 516 1HG PRO 70 2HG PRO 70 1.130 1.801 7.407 517 2HG PRO 70 1HG PRO 70 2.090 2.658 6.218 518 1HD PRO 70 2HD PRO 70 -0.629 3.207 6.945 519 2HD PRO 70 1HD PRO 70 0.294 3.987 5.676 520 H ASN 71 H ASN 71 -1.593 1.172 7.085 521 HA ASN 71 HA ASN 71 -2.117 -1.479 7.586 522 1HB ASN 71 2HB ASN 71 -4.104 -0.351 8.991 523 2HB ASN 71 1HB ASN 71 -2.433 -0.118 9.470 524 1HD2 ASN 71 1HD2 ASN 71 -5.318 1.356 8.670 525 2HD2 ASN 71 2HD2 ASN 71 -4.784 2.986 8.429 526 H LYS 72 H LYS 72 -4.245 1.168 6.255 527 HA LYS 72 HA LYS 72 -6.508 -0.346 5.839 528 1HB LYS 72 2HB LYS 72 -5.437 2.241 4.952 529 2HB LYS 72 1HB LYS 72 -6.525 1.511 3.788 530 1HG LYS 72 2HG LYS 72 -8.361 1.699 5.173 531 2HG LYS 72 1HG LYS 72 -7.444 1.337 6.620 532 1HD LYS 72 2HD LYS 72 -6.694 3.576 6.871 533 2HD LYS 72 1HD LYS 72 -6.985 3.968 5.188 534 1HE LYS 72 2HE LYS 72 -8.728 5.027 6.523 535 2HE LYS 72 1HE LYS 72 -9.466 3.739 5.592 536 1HZ LYS 72 1HZ LYS 72 -8.499 3.265 8.312 537 2HZ LYS 72 2HZ LYS 72 -9.991 3.869 8.038 538 3HZ LYS 72 3HZ LYS 72 -9.587 2.397 7.456 539 H ILE 73 H ILE 73 -3.488 -0.113 3.958 540 HA ILE 73 HA ILE 73 -4.584 -1.520 1.722 541 HB ILE 73 HB ILE 73 -1.835 -0.605 2.525 542 1HG1 ILE 73 2HG1 ILE 73 -3.746 0.193 0.311 543 2HG1 ILE 73 1HG1 ILE 73 -3.359 1.124 1.744 544 1HG2 ILE 73 1HG2 ILE 73 -2.530 -2.108 -0.012 545 2HG2 ILE 73 2HG2 ILE 73 -0.944 -1.443 0.447 546 3HG2 ILE 73 3HG2 ILE 73 -1.645 -2.792 1.373 547 1HD1 ILE 73 1HD1 ILE 73 -0.838 0.536 0.647 548 2HD1 ILE 73 2HD1 ILE 73 -1.863 0.874 -0.768 549 3HD1 ILE 73 3HD1 ILE 73 -1.704 2.087 0.525 550 H ILE 74 H ILE 74 -2.270 -2.304 4.406 551 HA ILE 74 HA ILE 74 -1.759 -4.897 3.766 552 HB ILE 74 HB ILE 74 -1.781 -3.261 6.212 553 1HG1 ILE 74 2HG1 ILE 74 0.240 -5.302 5.267 554 2HG1 ILE 74 1HG1 ILE 74 0.144 -3.693 4.578 555 1HG2 ILE 74 1HG2 ILE 74 -3.041 -5.222 6.998 556 2HG2 ILE 74 2HG2 ILE 74 -1.732 -6.284 6.428 557 3HG2 ILE 74 3HG2 ILE 74 -1.426 -5.117 7.739 558 1HD1 ILE 74 1HD1 ILE 74 0.371 -4.152 7.581 559 2HD1 ILE 74 2HD1 ILE 74 1.794 -3.991 6.524 560 3HD1 ILE 74 3HD1 ILE 74 0.646 -2.640 6.682 561 H ALA 75 H ALA 75 -4.783 -3.457 4.832 562 HA ALA 75 HA ALA 75 -5.925 -5.965 5.643 563 1HB ALA 75 1HB ALA 75 -6.514 -3.720 6.621 564 2HB ALA 75 2HB ALA 75 -7.267 -3.295 5.065 565 3HB ALA 75 3HB ALA 75 -7.916 -4.642 6.030 566 H LYS 76 H LYS 76 -5.963 -3.782 2.778 567 HA LYS 76 HA LYS 76 -7.966 -5.123 1.380 568 1HB LYS 76 2HB LYS 76 -5.815 -3.166 0.758 569 2HB LYS 76 1HB LYS 76 -6.449 -4.075 -0.599 570 1HG LYS 76 2HG LYS 76 -8.157 -2.524 1.407 571 2HG LYS 76 1HG LYS 76 -7.707 -1.939 -0.183 572 1HD LYS 76 2HD LYS 76 -8.767 -4.443 -0.775 573 2HD LYS 76 1HD LYS 76 -9.760 -3.945 0.579 574 1HE LYS 76 2HE LYS 76 -9.973 -1.655 -0.702 575 2HE LYS 76 1HE LYS 76 -9.395 -2.548 -2.095 576 1HZ LYS 76 1HZ LYS 76 -11.209 -4.092 -1.782 577 2HZ LYS 76 2HZ LYS 76 -11.747 -3.262 -0.484 578 3HZ LYS 76 3HZ LYS 76 -11.780 -2.573 -1.963 579 H VAL 77 H VAL 77 -4.453 -5.719 1.747 580 HA VAL 77 HA VAL 77 -4.370 -7.697 -0.291 581 HB VAL 77 HB VAL 77 -2.522 -7.093 2.027 582 1HG1 VAL 77 1HG1 VAL 77 -1.756 -8.532 -0.516 583 2HG1 VAL 77 2HG1 VAL 77 -0.885 -8.450 1.034 584 3HG1 VAL 77 3HG1 VAL 77 -2.377 -9.412 0.901 585 1HG2 VAL 77 1HG2 VAL 77 -1.515 -6.331 -0.563 586 2HG2 VAL 77 2HG2 VAL 77 -3.111 -5.589 -0.298 587 3HG2 VAL 77 3HG2 VAL 77 -1.800 -5.324 0.876 588 H GLU 78 H GLU 78 -4.970 -7.644 3.243 589 HA GLU 78 HA GLU 78 -4.868 -10.464 3.446 590 1HB GLU 78 2HB GLU 78 -5.789 -8.230 5.284 591 2HB GLU 78 1HB GLU 78 -6.016 -9.909 5.728 592 1HG GLU 78 2HG GLU 78 -3.303 -9.576 4.765 593 2HG GLU 78 1HG GLU 78 -3.628 -8.327 5.952 594 H GLN 79 H GLN 79 -7.311 -8.037 2.641 595 HA GLN 79 HA GLN 79 -9.422 -9.969 3.003 596 1HB GLN 79 2HB GLN 79 -9.540 -7.438 3.612 597 2HB GLN 79 1HB GLN 79 -9.728 -7.158 1.893 598 1HG GLN 79 2HG GLN 79 -11.872 -7.981 1.856 599 2HG GLN 79 1HG GLN 79 -11.494 -9.304 2.941 600 1HE2 GLN 79 1HE2 GLN 79 -12.097 -5.829 2.761 601 2HE2 GLN 79 2HE2 GLN 79 -12.739 -5.621 4.356 602 H ALA 80 H ALA 80 -7.215 -10.250 0.935 603 HA ALA 80 HA ALA 80 -8.969 -10.322 -1.424 604 1HB ALA 80 1HB ALA 80 -6.570 -8.869 -1.051 605 2HB ALA 80 2HB ALA 80 -6.142 -10.261 -2.075 606 3HB ALA 80 3HB ALA 80 -7.439 -9.151 -2.579 607 H GLN 81 H GLN 81 -6.139 -11.762 0.314 608 HA GLN 81 HA GLN 81 -5.765 -13.948 -1.218 609 1HB GLN 81 2HB GLN 81 -5.672 -13.845 1.830 610 2HB GLN 81 1HB GLN 81 -4.865 -15.035 0.829 611 1HG GLN 81 2HG GLN 81 -4.299 -12.047 0.983 612 2HG GLN 81 1HG GLN 81 -3.213 -13.363 1.383 613 1HE2 GLN 81 1HE2 GLN 81 -4.861 -11.653 -1.191 614 2HE2 GLN 81 2HE2 GLN 81 -3.849 -12.152 -2.505 Start of MODEL 23 1 H ALA 2 H ALA 2 -1.714 -17.040 8.604 2 HA ALA 2 HA ALA 2 0.034 -18.451 8.720 3 1HB ALA 2 1HB ALA 2 -0.540 -20.427 6.705 4 2HB ALA 2 2HB ALA 2 -0.446 -20.629 8.471 5 3HB ALA 2 3HB ALA 2 -1.991 -20.186 7.706 6 H ASP 3 H ASP 3 0.436 -16.205 7.519 7 HA ASP 3 HA ASP 3 2.141 -16.878 5.373 8 1HB ASP 3 2HB ASP 3 -0.547 -15.842 4.807 9 2HB ASP 3 1HB ASP 3 0.682 -14.743 4.212 10 H GLU 4 H GLU 4 3.911 -15.560 5.827 11 HA GLU 4 HA GLU 4 3.305 -12.970 7.028 12 1HB GLU 4 2HB GLU 4 5.465 -13.125 8.203 13 2HB GLU 4 1HB GLU 4 4.455 -14.504 8.590 14 1HG GLU 4 2HG GLU 4 6.166 -14.940 6.207 15 2HG GLU 4 1HG GLU 4 7.084 -14.631 7.667 16 H ALA 5 H ALA 5 4.496 -14.623 4.284 17 HA ALA 5 HA ALA 5 6.543 -12.799 3.538 18 1HB ALA 5 1HB ALA 5 5.050 -14.425 1.514 19 2HB ALA 5 2HB ALA 5 6.802 -14.197 1.728 20 3HB ALA 5 3HB ALA 5 5.911 -15.303 2.802 21 H ILE 6 H ILE 6 3.124 -12.597 3.722 22 HA ILE 6 HA ILE 6 2.927 -10.755 1.486 23 HB ILE 6 HB ILE 6 1.068 -12.307 3.177 24 1HG1 ILE 6 2HG1 ILE 6 0.924 -11.442 0.277 25 2HG1 ILE 6 1HG1 ILE 6 1.747 -12.887 0.830 26 1HG2 ILE 6 1HG2 ILE 6 -0.767 -10.654 2.178 27 2HG2 ILE 6 2HG2 ILE 6 -0.046 -10.422 3.789 28 3HG2 ILE 6 3HG2 ILE 6 0.550 -9.477 2.404 29 1HD1 ILE 6 1HD1 ILE 6 -0.917 -12.777 0.118 30 2HD1 ILE 6 2HD1 ILE 6 -0.205 -14.026 1.168 31 3HD1 ILE 6 3HD1 ILE 6 -1.013 -12.613 1.888 32 H LYS 7 H LYS 7 2.292 -10.772 5.065 33 HA LYS 7 HA LYS 7 1.827 -8.059 5.289 34 1HB LYS 7 2HB LYS 7 1.787 -10.207 6.969 35 2HB LYS 7 1HB LYS 7 3.213 -9.373 7.553 36 1HG LYS 7 2HG LYS 7 1.068 -7.455 7.018 37 2HG LYS 7 1HG LYS 7 0.498 -8.719 8.090 38 1HD LYS 7 2HD LYS 7 2.638 -8.339 9.479 39 2HD LYS 7 1HD LYS 7 2.921 -6.913 8.500 40 1HE LYS 7 2HE LYS 7 0.694 -5.998 9.183 41 2HE LYS 7 1HE LYS 7 0.400 -7.429 10.153 42 1HZ LYS 7 1HZ LYS 7 1.861 -5.161 10.831 43 2HZ LYS 7 2HZ LYS 7 1.506 -6.452 11.765 44 3HZ LYS 7 3HZ LYS 7 2.874 -6.442 10.874 45 H ASN 8 H ASN 8 4.870 -9.909 5.054 46 HA ASN 8 HA ASN 8 6.457 -7.695 5.806 47 1HB ASN 8 2HB ASN 8 6.919 -10.378 5.671 48 2HB ASN 8 1HB ASN 8 7.583 -9.925 4.114 49 1HD2 ASN 8 1HD2 ASN 8 9.179 -11.000 6.020 50 2HD2 ASN 8 2HD2 ASN 8 10.296 -9.832 6.644 51 H GLY 9 H GLY 9 5.762 -9.491 2.710 52 1HA GLY 9 2HA GLY 9 7.230 -7.949 0.953 53 2HA GLY 9 1HA GLY 9 5.770 -8.834 0.561 54 H VAL 10 H VAL 10 3.825 -7.492 2.124 55 HA VAL 10 HA VAL 10 3.196 -5.353 0.486 56 HB VAL 10 HB VAL 10 2.267 -6.353 3.153 57 1HG1 VAL 10 1HG1 VAL 10 1.470 -3.752 1.833 58 2HG1 VAL 10 2HG1 VAL 10 0.376 -4.631 2.927 59 3HG1 VAL 10 3HG1 VAL 10 1.949 -4.046 3.521 60 1HG2 VAL 10 1HG2 VAL 10 1.136 -7.643 1.695 61 2HG2 VAL 10 2HG2 VAL 10 0.110 -6.207 1.457 62 3HG2 VAL 10 3HG2 VAL 10 1.447 -6.543 0.331 63 H LEU 11 H LEU 11 4.733 -5.435 3.761 64 HA LEU 11 HA LEU 11 4.925 -2.618 3.931 65 1HB LEU 11 2HB LEU 11 5.008 -4.557 5.725 66 2HB LEU 11 1HB LEU 11 6.733 -4.455 5.436 67 HG LEU 11 HG LEU 11 6.844 -2.209 6.201 68 1HD1 LEU 11 1HD1 LEU 11 4.501 -1.233 7.061 69 2HD1 LEU 11 2HD1 LEU 11 5.135 -0.941 5.424 70 3HD1 LEU 11 3HD1 LEU 11 3.916 -2.210 5.694 71 1HD2 LEU 11 1HD2 LEU 11 6.703 -3.947 7.947 72 2HD2 LEU 11 2HD2 LEU 11 6.066 -2.376 8.490 73 3HD2 LEU 11 3HD2 LEU 11 4.945 -3.686 8.045 74 H ASP 12 H ASP 12 7.193 -5.258 2.954 75 HA ASP 12 HA ASP 12 9.411 -3.711 2.632 76 1HB ASP 12 2HB ASP 12 8.848 -6.327 2.266 77 2HB ASP 12 1HB ASP 12 8.803 -5.841 0.584 78 H ILE 13 H ILE 13 6.690 -4.460 0.357 79 HA ILE 13 HA ILE 13 7.811 -3.008 -1.806 80 HB ILE 13 HB ILE 13 5.346 -4.502 -1.204 81 1HG1 ILE 13 2HG1 ILE 13 6.401 -4.432 -3.943 82 2HG1 ILE 13 1HG1 ILE 13 7.610 -4.864 -2.751 83 1HG2 ILE 13 1HG2 ILE 13 5.354 -2.182 -3.143 84 2HG2 ILE 13 2HG2 ILE 13 4.222 -3.551 -3.263 85 3HG2 ILE 13 3HG2 ILE 13 4.214 -2.515 -1.816 86 1HD1 ILE 13 1HD1 ILE 13 6.367 -6.856 -3.625 87 2HD1 ILE 13 2HD1 ILE 13 6.173 -6.657 -1.867 88 3HD1 ILE 13 3HD1 ILE 13 4.861 -6.174 -2.967 89 H LEU 14 H LEU 14 6.244 -2.127 1.148 90 HA LEU 14 HA LEU 14 5.104 0.299 0.119 91 1HB LEU 14 2HB LEU 14 4.792 -1.316 2.393 92 2HB LEU 14 1HB LEU 14 5.428 0.205 2.987 93 HG LEU 14 HG LEU 14 3.003 0.200 3.054 94 1HD1 LEU 14 1HD1 LEU 14 2.627 2.211 1.418 95 2HD1 LEU 14 2HD1 LEU 14 3.723 2.372 2.812 96 3HD1 LEU 14 3HD1 LEU 14 4.388 2.092 1.185 97 1HD2 LEU 14 1HD2 LEU 14 2.873 -1.410 1.022 98 2HD2 LEU 14 2HD2 LEU 14 1.580 -0.211 1.272 99 3HD2 LEU 14 3HD2 LEU 14 2.845 0.084 0.053 100 H ALA 15 H ALA 15 7.774 -0.484 2.463 101 HA ALA 15 HA ALA 15 8.765 2.077 2.661 102 1HB ALA 15 1HB ALA 15 10.402 -0.485 2.703 103 2HB ALA 15 2HB ALA 15 10.724 1.031 3.579 104 3HB ALA 15 3HB ALA 15 9.333 0.018 4.034 105 H ASP 16 H ASP 16 9.185 -0.398 0.120 106 HA ASP 16 HA ASP 16 11.352 0.874 -1.107 107 1HB ASP 16 2HB ASP 16 10.129 -1.545 -1.385 108 2HB ASP 16 1HB ASP 16 9.404 -0.718 -2.749 109 H LEU 17 H LEU 17 7.758 0.875 -1.565 110 HA LEU 17 HA LEU 17 7.625 2.361 -3.883 111 1HB LEU 17 2HB LEU 17 5.869 1.329 -1.931 112 2HB LEU 17 1HB LEU 17 5.485 3.032 -2.080 113 HG LEU 17 HG LEU 17 5.479 2.541 -4.657 114 1HD1 LEU 17 1HD1 LEU 17 4.662 0.238 -5.156 115 2HD1 LEU 17 2HD1 LEU 17 6.361 0.310 -4.629 116 3HD1 LEU 17 3HD1 LEU 17 5.100 -0.230 -3.495 117 1HD2 LEU 17 1HD2 LEU 17 3.250 1.603 -2.829 118 2HD2 LEU 17 2HD2 LEU 17 3.541 3.274 -3.371 119 3HD2 LEU 17 3HD2 LEU 17 3.087 2.021 -4.551 120 H THR 18 H THR 18 7.713 3.469 -0.434 121 HA THR 18 HA THR 18 7.636 6.217 -1.129 122 HB THR 18 HB THR 18 7.928 6.517 1.252 123 HG1 THR 18 1HG THR 18 8.929 3.760 1.092 124 1HG2 THR 18 1HG2 THR 18 6.053 4.637 0.334 125 2HG2 THR 18 2HG2 THR 18 6.913 3.765 1.625 126 3HG2 THR 18 3HG2 THR 18 6.112 5.315 1.978 127 H GLY 19 H GLY 19 10.320 3.954 -0.265 128 1HA GLY 19 2HA GLY 19 12.317 4.266 -1.678 129 2HA GLY 19 1HA GLY 19 12.174 5.984 -1.365 130 H SER 20 H SER 20 11.104 4.554 1.456 131 HA SER 20 HA SER 20 13.604 3.788 2.536 132 1HB SER 20 2HB SER 20 12.738 6.589 2.765 133 2HB SER 20 1HB SER 20 12.962 5.851 4.338 134 HG SER 20 HG SER 20 15.119 5.210 3.676 135 H ASP 21 H ASP 21 13.252 3.663 5.150 136 HA ASP 21 HA ASP 21 10.832 2.167 5.396 137 1HB ASP 21 2HB ASP 21 13.368 2.535 6.934 138 2HB ASP 21 1HB ASP 21 11.958 2.174 7.912 139 H ASP 22 H ASP 22 9.708 4.483 5.024 140 HA ASP 22 HA ASP 22 9.712 6.072 7.416 141 1HB ASP 22 2HB ASP 22 7.691 7.012 5.687 142 2HB ASP 22 1HB ASP 22 9.303 7.675 5.867 143 H VAL 23 H VAL 23 7.529 3.999 5.401 144 HA VAL 23 HA VAL 23 5.391 4.285 7.341 145 HB VAL 23 HB VAL 23 4.074 3.056 5.734 146 1HG1 VAL 23 1HG1 VAL 23 5.698 5.402 4.834 147 2HG1 VAL 23 2HG1 VAL 23 4.659 4.589 3.638 148 3HG1 VAL 23 3HG1 VAL 23 3.947 5.262 5.125 149 1HG2 VAL 23 1HG2 VAL 23 5.124 1.456 4.560 150 2HG2 VAL 23 2HG2 VAL 23 5.583 2.760 3.439 151 3HG2 VAL 23 3HG2 VAL 23 6.708 2.250 4.720 152 H LYS 24 H LYS 24 7.931 2.026 6.307 153 HA LYS 24 HA LYS 24 7.107 -0.365 7.161 154 1HB LYS 24 2HB LYS 24 9.317 0.085 6.218 155 2HB LYS 24 1HB LYS 24 9.808 0.911 7.683 156 1HG LYS 24 2HG LYS 24 8.723 -1.866 8.029 157 2HG LYS 24 1HG LYS 24 10.279 -1.738 7.232 158 1HD LYS 24 2HD LYS 24 11.356 -1.075 9.147 159 2HD LYS 24 1HD LYS 24 10.047 -0.020 9.641 160 1HE LYS 24 2HE LYS 24 8.776 -1.872 10.563 161 2HE LYS 24 1HE LYS 24 9.832 -3.056 9.819 162 1HZ LYS 24 1HZ LYS 24 10.216 -2.528 12.226 163 2HZ LYS 24 2HZ LYS 24 11.541 -2.506 11.270 164 3HZ LYS 24 3HZ LYS 24 10.853 -1.103 11.746 165 H LYS 25 H LYS 25 7.703 2.496 9.169 166 HA LYS 25 HA LYS 25 7.443 0.915 11.590 167 1HB LYS 25 2HB LYS 25 7.721 3.272 12.621 168 2HB LYS 25 1HB LYS 25 9.102 2.505 11.864 169 1HG LYS 25 2HG LYS 25 9.189 4.038 10.159 170 2HG LYS 25 1HG LYS 25 7.447 4.077 9.968 171 1HD LYS 25 2HD LYS 25 7.971 6.250 10.769 172 2HD LYS 25 1HD LYS 25 7.386 5.415 12.194 173 1HE LYS 25 2HE LYS 25 9.518 5.258 13.159 174 2HE LYS 25 1HE LYS 25 10.342 5.273 11.612 175 1HZ LYS 25 1HZ LYS 25 10.691 7.351 12.564 176 2HZ LYS 25 2HZ LYS 25 9.548 7.625 11.429 177 3HZ LYS 25 3HZ LYS 25 9.130 7.546 13.006 178 H ASN 26 H ASN 26 6.045 4.167 11.205 179 HA ASN 26 HA ASN 26 3.758 3.572 12.514 180 1HB ASN 26 2HB ASN 26 2.863 5.568 10.885 181 2HB ASN 26 1HB ASN 26 3.949 5.867 12.227 182 1HD2 ASN 26 1HD2 ASN 26 5.338 7.345 11.621 183 2HD2 ASN 26 2HD2 ASN 26 6.275 7.366 10.164 184 H LEU 27 H LEU 27 1.823 2.524 11.942 185 HA LEU 27 HA LEU 27 1.638 1.604 9.173 186 1HB LEU 27 2HB LEU 27 0.167 0.643 11.629 187 2HB LEU 27 1HB LEU 27 0.118 -0.077 10.033 188 HG LEU 27 HG LEU 27 2.795 0.182 11.323 189 1HD1 LEU 27 1HD1 LEU 27 0.669 -1.754 12.264 190 2HD1 LEU 27 2HD1 LEU 27 2.412 -1.982 12.541 191 3HD1 LEU 27 3HD1 LEU 27 1.579 -0.568 13.229 192 1HD2 LEU 27 1HD2 LEU 27 1.535 -2.101 9.783 193 2HD2 LEU 27 2HD2 LEU 27 2.432 -0.758 9.035 194 3HD2 LEU 27 3HD2 LEU 27 3.257 -1.860 10.162 195 H ASP 28 H ASP 28 1.101 4.384 9.817 196 HA ASP 28 HA ASP 28 -1.518 4.471 8.716 197 1HB ASP 28 2HB ASP 28 -1.205 4.757 11.548 198 2HB ASP 28 1HB ASP 28 -1.496 6.368 10.926 199 H LEU 29 H LEU 29 1.348 5.196 8.113 200 HA LEU 29 HA LEU 29 1.473 8.059 8.355 201 1HB LEU 29 2HB LEU 29 3.439 6.563 8.574 202 2HB LEU 29 1HB LEU 29 3.271 6.127 6.885 203 HG LEU 29 HG LEU 29 3.553 8.601 6.341 204 1HD1 LEU 29 1HD1 LEU 29 4.627 8.752 9.167 205 2HD1 LEU 29 2HD1 LEU 29 4.537 10.059 7.962 206 3HD1 LEU 29 3HD1 LEU 29 3.044 9.389 8.660 207 1HD2 LEU 29 1HD2 LEU 29 6.038 7.603 7.671 208 2HD2 LEU 29 2HD2 LEU 29 5.321 6.643 6.355 209 3HD2 LEU 29 3HD2 LEU 29 5.809 8.331 6.063 210 H ASN 30 H ASN 30 -0.198 9.013 7.207 211 HA ASN 30 HA ASN 30 -1.409 8.265 5.008 212 1HB ASN 30 2HB ASN 30 -0.821 10.814 6.280 213 2HB ASN 30 1HB ASN 30 -0.773 11.040 4.544 214 1HD2 ASN 30 1HD2 ASN 30 -2.684 9.206 6.931 215 2HD2 ASN 30 2HD2 ASN 30 -4.252 9.613 6.316 216 H LEU 31 H LEU 31 -0.424 7.288 3.210 217 HA LEU 31 HA LEU 31 2.168 7.988 2.345 218 1HB LEU 31 2HB LEU 31 0.060 6.492 0.792 219 2HB LEU 31 1HB LEU 31 1.798 6.416 0.591 220 HG LEU 31 HG LEU 31 0.677 5.638 3.249 221 1HD1 LEU 31 1HD1 LEU 31 -0.746 4.161 2.374 222 2HD1 LEU 31 2HD1 LEU 31 -0.083 4.358 0.734 223 3HD1 LEU 31 3HD1 LEU 31 0.695 3.241 1.879 224 1HD2 LEU 31 1HD2 LEU 31 2.944 4.580 1.539 225 2HD2 LEU 31 2HD2 LEU 31 3.085 5.679 2.932 226 3HD2 LEU 31 3HD2 LEU 31 2.517 4.009 3.170 227 H PHE 32 H PHE 32 -0.807 9.607 2.096 228 HA PHE 32 HA PHE 32 -0.049 10.836 -0.447 229 1HB PHE 32 2HB PHE 32 -2.540 10.379 1.206 230 2HB PHE 32 1HB PHE 32 -2.501 11.877 0.298 231 HD1 PHE 32 1HD PHE 32 -3.385 8.490 0.178 232 HD2 PHE 32 2HD PHE 32 -1.829 11.605 -2.248 233 HE1 PHE 32 1HE PHE 32 -4.137 7.264 -1.879 234 HE2 PHE 32 2HE PHE 32 -2.582 10.379 -4.304 235 HZ PHE 32 HZ PHE 32 -3.727 8.223 -4.096 236 H GLU 33 H GLU 33 -1.324 11.752 2.839 237 HA GLU 33 HA GLU 33 -0.760 14.447 2.499 238 1HB GLU 33 2HB GLU 33 -1.999 12.827 4.432 239 2HB GLU 33 1HB GLU 33 -0.647 13.536 5.293 240 1HG GLU 33 2HG GLU 33 -1.357 15.809 4.609 241 2HG GLU 33 1HG GLU 33 -2.658 15.140 3.644 242 H THR 34 H THR 34 1.323 11.752 2.961 243 HA THR 34 HA THR 34 3.404 13.379 4.218 244 HB THR 34 HB THR 34 3.301 10.395 3.528 245 HG1 THR 34 1HG THR 34 2.368 10.263 5.585 246 1HG2 THR 34 1HG2 THR 34 5.530 11.834 4.222 247 2HG2 THR 34 2HG2 THR 34 4.852 11.517 5.836 248 3HG2 THR 34 3HG2 THR 34 5.256 10.160 4.759 249 H GLY 35 H GLY 35 2.255 12.455 1.113 250 1HA GLY 35 2HA GLY 35 3.081 13.109 -0.904 251 2HA GLY 35 1HA GLY 35 4.533 13.710 -0.128 252 H LEU 36 H LEU 36 4.260 10.713 1.218 253 HA LEU 36 HA LEU 36 6.419 9.614 -0.021 254 1HB LEU 36 2HB LEU 36 4.077 8.344 1.386 255 2HB LEU 36 1HB LEU 36 5.460 7.419 0.837 256 HG LEU 36 HG LEU 36 5.528 9.694 2.838 257 1HD1 LEU 36 1HD1 LEU 36 4.707 8.053 4.158 258 2HD1 LEU 36 2HD1 LEU 36 5.281 6.749 3.092 259 3HD1 LEU 36 3HD1 LEU 36 6.414 7.553 4.204 260 1HD2 LEU 36 1HD2 LEU 36 7.683 9.892 2.341 261 2HD2 LEU 36 2HD2 LEU 36 7.916 8.248 2.985 262 3HD2 LEU 36 3HD2 LEU 36 7.627 8.490 1.245 263 H LEU 37 H LEU 37 2.936 9.302 -0.905 264 HA LEU 37 HA LEU 37 3.841 8.039 -3.400 265 1HB LEU 37 2HB LEU 37 1.703 7.398 -1.512 266 2HB LEU 37 1HB LEU 37 1.138 7.527 -3.166 267 HG LEU 37 HG LEU 37 3.391 5.737 -2.212 268 1HD1 LEU 37 1HD1 LEU 37 0.481 5.207 -2.806 269 2HD1 LEU 37 2HD1 LEU 37 1.712 3.922 -2.877 270 3HD1 LEU 37 3HD1 LEU 37 1.423 4.797 -1.353 271 1HD2 LEU 37 1HD2 LEU 37 2.283 5.071 -4.798 272 2HD2 LEU 37 2HD2 LEU 37 2.908 6.739 -4.785 273 3HD2 LEU 37 3HD2 LEU 37 3.971 5.386 -4.326 274 H ASP 38 H ASP 38 2.336 8.542 -5.307 275 HA ASP 38 HA ASP 38 1.384 11.282 -5.032 276 1HB ASP 38 2HB ASP 38 3.518 10.279 -6.681 277 2HB ASP 38 1HB ASP 38 2.198 10.700 -7.753 278 H SER 39 H SER 39 1.514 8.511 -7.413 279 HA SER 39 HA SER 39 -1.171 7.921 -7.242 280 1HB SER 39 2HB SER 39 -1.827 9.942 -8.272 281 2HB SER 39 1HB SER 39 -0.441 9.968 -9.343 282 HG SER 39 HG SER 39 -1.508 8.798 -10.792 283 H MET 40 H MET 40 1.543 8.332 -9.620 284 HA MET 40 HA MET 40 0.951 6.114 -11.138 285 1HB MET 40 2HB MET 40 2.690 8.078 -11.448 286 2HB MET 40 1HB MET 40 3.787 7.074 -10.521 287 1HG MET 40 2HG MET 40 4.119 5.609 -12.259 288 2HG MET 40 1HG MET 40 2.425 5.597 -12.705 289 1HE MET 40 1HE MET 40 1.483 8.018 -14.656 290 2HE MET 40 2HE MET 40 2.394 7.020 -15.815 291 3HE MET 40 3HE MET 40 1.592 6.257 -14.421 292 H GLY 41 H GLY 41 2.491 6.414 -7.965 293 1HA GLY 41 2HA GLY 41 3.882 3.967 -7.908 294 2HA GLY 41 1HA GLY 41 3.327 4.898 -6.531 295 H THR 42 H THR 42 0.565 4.900 -6.740 296 HA THR 42 HA THR 42 -0.156 2.459 -5.688 297 HB THR 42 HB THR 42 -1.409 4.974 -6.573 298 HG1 THR 42 1HG THR 42 -1.413 4.515 -4.374 299 1HG2 THR 42 1HG2 THR 42 -3.746 3.889 -6.479 300 2HG2 THR 42 2HG2 THR 42 -2.862 3.654 -8.005 301 3HG2 THR 42 3HG2 THR 42 -2.940 2.338 -6.809 302 H VAL 43 H VAL 43 -0.038 3.505 -9.098 303 HA VAL 43 HA VAL 43 -1.548 1.393 -10.131 304 HB VAL 43 HB VAL 43 0.733 2.937 -11.382 305 1HG1 VAL 43 1HG1 VAL 43 -1.540 1.330 -12.593 306 2HG1 VAL 43 2HG1 VAL 43 -0.503 2.447 -13.513 307 3HG1 VAL 43 3HG1 VAL 43 0.207 1.015 -12.729 308 1HG2 VAL 43 1HG2 VAL 43 -0.659 4.692 -11.796 309 2HG2 VAL 43 2HG2 VAL 43 -2.109 3.665 -11.903 310 3HG2 VAL 43 3HG2 VAL 43 -1.442 4.100 -10.311 311 H GLN 44 H GLN 44 2.052 1.793 -9.808 312 HA GLN 44 HA GLN 44 2.599 -0.775 -10.704 313 1HB GLN 44 2HB GLN 44 4.187 1.232 -10.495 314 2HB GLN 44 1HB GLN 44 4.316 0.854 -8.788 315 1HG GLN 44 2HG GLN 44 5.559 -1.066 -9.156 316 2HG GLN 44 1HG GLN 44 4.724 -1.455 -10.646 317 1HE2 GLN 44 1HE2 GLN 44 7.595 -1.296 -9.924 318 2HE2 GLN 44 2HE2 GLN 44 8.338 -0.245 -11.083 319 H LEU 45 H LEU 45 2.282 0.601 -7.365 320 HA LEU 45 HA LEU 45 2.953 -1.616 -5.919 321 1HB LEU 45 2HB LEU 45 2.557 -0.106 -4.369 322 2HB LEU 45 1HB LEU 45 1.660 0.890 -5.498 323 HG LEU 45 HG LEU 45 -0.343 -0.670 -4.980 324 1HD1 LEU 45 1HD1 LEU 45 0.012 -1.355 -2.408 325 2HD1 LEU 45 2HD1 LEU 45 0.318 -2.462 -3.768 326 3HD1 LEU 45 3HD1 LEU 45 1.672 -1.594 -3.005 327 1HD2 LEU 45 1HD2 LEU 45 -0.333 0.666 -2.554 328 2HD2 LEU 45 2HD2 LEU 45 0.752 1.640 -3.575 329 3HD2 LEU 45 3HD2 LEU 45 -0.911 1.302 -4.113 330 H LEU 46 H LEU 46 0.053 -0.990 -7.861 331 HA LEU 46 HA LEU 46 -1.453 -3.111 -6.698 332 1HB LEU 46 2HB LEU 46 -1.792 -1.044 -8.723 333 2HB LEU 46 1HB LEU 46 -2.512 -2.568 -9.202 334 HG LEU 46 HG LEU 46 -3.118 -0.984 -6.692 335 1HD1 LEU 46 1HD1 LEU 46 -5.480 -1.202 -7.889 336 2HD1 LEU 46 2HD1 LEU 46 -4.336 0.106 -8.279 337 3HD1 LEU 46 3HD1 LEU 46 -4.453 -1.320 -9.338 338 1HD2 LEU 46 1HD2 LEU 46 -3.944 -3.762 -7.515 339 2HD2 LEU 46 2HD2 LEU 46 -3.306 -3.189 -5.956 340 3HD2 LEU 46 3HD2 LEU 46 -4.962 -2.764 -6.449 341 H LEU 47 H LEU 47 0.852 -2.724 -9.394 342 HA LEU 47 HA LEU 47 0.271 -5.137 -10.682 343 1HB LEU 47 2HB LEU 47 1.898 -2.968 -11.108 344 2HB LEU 47 1HB LEU 47 3.061 -4.231 -10.757 345 HG LEU 47 HG LEU 47 2.633 -3.980 -13.164 346 1HD1 LEU 47 1HD1 LEU 47 2.631 -6.386 -11.667 347 2HD1 LEU 47 2HD1 LEU 47 1.498 -6.605 -13.023 348 3HD1 LEU 47 3HD1 LEU 47 3.181 -6.119 -13.338 349 1HD2 LEU 47 1HD2 LEU 47 0.135 -5.229 -13.518 350 2HD2 LEU 47 2HD2 LEU 47 -0.118 -3.942 -12.314 351 3HD2 LEU 47 3HD2 LEU 47 0.587 -3.551 -13.902 352 H GLU 48 H GLU 48 2.399 -4.286 -7.914 353 HA GLU 48 HA GLU 48 3.499 -6.892 -7.807 354 1HB GLU 48 2HB GLU 48 3.914 -4.329 -6.518 355 2HB GLU 48 1HB GLU 48 3.803 -5.571 -5.288 356 1HG GLU 48 2HG GLU 48 6.117 -5.498 -5.906 357 2HG GLU 48 1HG GLU 48 5.482 -6.942 -6.669 358 H LEU 49 H LEU 49 0.672 -5.231 -6.471 359 HA LEU 49 HA LEU 49 0.215 -7.270 -4.488 360 1HB LEU 49 2HB LEU 49 -1.101 -4.717 -5.315 361 2HB LEU 49 1HB LEU 49 -2.023 -5.890 -4.396 362 HG LEU 49 HG LEU 49 0.481 -4.423 -3.560 363 1HD1 LEU 49 1HD1 LEU 49 -0.845 -3.154 -2.282 364 2HD1 LEU 49 2HD1 LEU 49 -2.171 -3.757 -3.305 365 3HD1 LEU 49 3HD1 LEU 49 -1.822 -4.541 -1.746 366 1HD2 LEU 49 1HD2 LEU 49 -0.751 -6.896 -2.348 367 2HD2 LEU 49 2HD2 LEU 49 0.948 -6.584 -2.779 368 3HD2 LEU 49 3HD2 LEU 49 0.215 -5.749 -1.388 369 H GLN 50 H GLN 50 -0.123 -7.030 -7.844 370 HA GLN 50 HA GLN 50 -2.392 -8.861 -7.767 371 1HB GLN 50 2HB GLN 50 -2.753 -6.717 -9.027 372 2HB GLN 50 1HB GLN 50 -1.430 -7.142 -10.096 373 1HG GLN 50 2HG GLN 50 -2.652 -8.760 -11.206 374 2HG GLN 50 1HG GLN 50 -3.511 -9.259 -9.763 375 1HE2 GLN 50 1HE2 GLN 50 -3.132 -6.373 -11.819 376 2HE2 GLN 50 2HE2 GLN 50 -4.807 -5.934 -11.891 377 H SER 51 H SER 51 0.704 -9.207 -7.468 378 HA SER 51 HA SER 51 0.886 -11.238 -9.554 379 1HB SER 51 2HB SER 51 2.725 -9.048 -8.882 380 2HB SER 51 1HB SER 51 3.527 -10.603 -8.805 381 HG SER 51 HG SER 51 2.282 -9.316 -11.041 382 H GLN 52 H GLN 52 2.344 -10.159 -6.392 383 HA GLN 52 HA GLN 52 2.914 -12.871 -5.725 384 1HB GLN 52 2HB GLN 52 3.173 -10.303 -4.098 385 2HB GLN 52 1HB GLN 52 3.783 -11.866 -3.595 386 1HG GLN 52 2HG GLN 52 4.600 -10.877 -6.320 387 2HG GLN 52 1HG GLN 52 5.316 -10.086 -4.931 388 1HE2 GLN 52 1HE2 GLN 52 7.098 -10.916 -4.169 389 2HE2 GLN 52 2HE2 GLN 52 7.652 -12.549 -4.329 390 H PHE 53 H PHE 53 0.300 -10.578 -5.278 391 HA PHE 53 HA PHE 53 -0.903 -12.404 -3.318 392 1HB PHE 53 2HB PHE 53 -1.622 -9.478 -3.877 393 2HB PHE 53 1HB PHE 53 -2.025 -10.407 -2.446 394 HD1 PHE 53 1HD PHE 53 -0.710 -10.199 -0.545 395 HD2 PHE 53 2HD PHE 53 0.927 -9.086 -4.299 396 HE1 PHE 53 1HE PHE 53 1.331 -9.305 0.610 397 HE2 PHE 53 2HE PHE 53 2.968 -8.192 -3.143 398 HZ PHE 53 HZ PHE 53 3.146 -8.312 -0.703 399 H GLY 54 H GLY 54 -1.212 -10.645 -6.389 400 1HA GLY 54 2HA GLY 54 -2.667 -10.890 -8.088 401 2HA GLY 54 1HA GLY 54 -3.242 -12.363 -7.333 402 H VAL 55 H VAL 55 -3.250 -8.985 -6.025 403 HA VAL 55 HA VAL 55 -5.943 -9.274 -5.174 404 HB VAL 55 HB VAL 55 -4.143 -6.847 -5.342 405 1HG1 VAL 55 1HG1 VAL 55 -6.908 -7.243 -4.402 406 2HG1 VAL 55 2HG1 VAL 55 -5.841 -6.446 -3.221 407 3HG1 VAL 55 3HG1 VAL 55 -6.047 -5.750 -4.847 408 1HG2 VAL 55 1HG2 VAL 55 -4.573 -7.976 -2.692 409 2HG2 VAL 55 2HG2 VAL 55 -3.821 -9.153 -3.796 410 3HG2 VAL 55 3HG2 VAL 55 -3.054 -7.570 -3.528 411 H ASP 56 H ASP 56 -7.836 -8.300 -5.996 412 HA ASP 56 HA ASP 56 -7.509 -7.377 -8.742 413 1HB ASP 56 2HB ASP 56 -9.495 -9.133 -7.367 414 2HB ASP 56 1HB ASP 56 -10.187 -7.990 -8.500 415 H ALA 57 H ALA 57 -7.136 -5.579 -6.543 416 HA ALA 57 HA ALA 57 -9.521 -4.327 -5.731 417 1HB ALA 57 1HB ALA 57 -7.628 -2.403 -5.442 418 2HB ALA 57 2HB ALA 57 -7.815 -3.769 -4.317 419 3HB ALA 57 3HB ALA 57 -6.585 -3.836 -5.601 420 HA PRO 58 HA PRO 58 -10.371 -1.727 -9.081 421 1HB PRO 58 2HB PRO 58 -11.312 0.556 -7.911 422 2HB PRO 58 1HB PRO 58 -12.277 -0.895 -8.093 423 1HG PRO 58 2HG PRO 58 -10.998 0.186 -5.657 424 2HG PRO 58 1HG PRO 58 -12.288 -0.992 -5.788 425 1HD PRO 58 2HD PRO 58 -9.531 -1.524 -5.200 426 2HD PRO 58 1HD PRO 58 -10.798 -2.710 -5.445 427 H VAL 59 H VAL 59 -9.919 0.238 -10.359 428 HA VAL 59 HA VAL 59 -7.432 1.457 -9.391 429 HB VAL 59 HB VAL 59 -7.941 0.611 -12.245 430 1HG1 VAL 59 1HG1 VAL 59 -5.429 1.519 -10.799 431 2HG1 VAL 59 2HG1 VAL 59 -5.516 0.986 -12.495 432 3HG1 VAL 59 3HG1 VAL 59 -6.367 2.463 -11.982 433 1HG2 VAL 59 1HG2 VAL 59 -7.532 -1.497 -11.621 434 2HG2 VAL 59 2HG2 VAL 59 -5.876 -0.973 -11.230 435 3HG2 VAL 59 3HG2 VAL 59 -7.124 -1.001 -9.960 436 H SER 60 H SER 60 -10.256 1.582 -11.644 437 HA SER 60 HA SER 60 -10.063 3.984 -12.694 438 1HB SER 60 2HB SER 60 -12.214 2.207 -11.994 439 2HB SER 60 1HB SER 60 -12.739 3.836 -11.619 440 HG SER 60 HG SER 60 -12.872 4.297 -13.710 441 H GLU 61 H GLU 61 -11.954 3.600 -9.606 442 HA GLU 61 HA GLU 61 -10.702 6.070 -8.711 443 1HB GLU 61 2HB GLU 61 -13.368 5.880 -9.550 444 2HB GLU 61 1HB GLU 61 -13.489 5.760 -7.805 445 1HG GLU 61 2HG GLU 61 -13.447 8.056 -7.918 446 2HG GLU 61 1HG GLU 61 -11.711 7.813 -7.956 447 H PHE 62 H PHE 62 -9.708 3.599 -7.978 448 HA PHE 62 HA PHE 62 -10.772 2.179 -5.974 449 1HB PHE 62 2HB PHE 62 -8.353 1.918 -5.243 450 2HB PHE 62 1HB PHE 62 -8.523 1.827 -6.985 451 HD1 PHE 62 1HD PHE 62 -7.056 3.052 -8.272 452 HD2 PHE 62 2HD PHE 62 -7.910 4.391 -4.336 453 HE1 PHE 62 1HE PHE 62 -5.372 4.893 -8.533 454 HE2 PHE 62 2HE PHE 62 -6.224 6.233 -4.598 455 HZ PHE 62 HZ PHE 62 -4.975 6.462 -6.693 456 H ASP 63 H ASP 63 -10.429 2.184 -3.581 457 HA ASP 63 HA ASP 63 -11.244 4.661 -2.548 458 1HB ASP 63 2HB ASP 63 -12.006 2.566 -1.546 459 2HB ASP 63 1HB ASP 63 -10.358 2.049 -1.247 460 H ARG 64 H ARG 64 -9.391 6.078 -3.127 461 HA ARG 64 HA ARG 64 -6.799 5.612 -2.655 462 1HB ARG 64 2HB ARG 64 -6.659 8.179 -2.254 463 2HB ARG 64 1HB ARG 64 -7.371 7.645 -3.763 464 1HG ARG 64 2HG ARG 64 -9.170 8.926 -3.221 465 2HG ARG 64 1HG ARG 64 -9.575 7.688 -2.049 466 1HD ARG 64 2HD ARG 64 -9.524 9.824 -0.880 467 2HD ARG 64 1HD ARG 64 -8.140 8.893 -0.343 468 HE ARG 64 HE ARG 64 -6.713 10.447 -1.369 469 1HH1 ARG 64 2HH2 ARG 64 -9.989 10.897 -2.572 470 2HH1 ARG 64 1HH2 ARG 64 -9.613 12.359 -3.422 471 1HH2 ARG 64 2HH1 ARG 64 -6.215 12.376 -2.489 472 2HH2 ARG 64 1HH1 ARG 64 -7.452 13.206 -3.374 473 H LYS 65 H LYS 65 -9.341 6.566 -0.310 474 HA LYS 65 HA LYS 65 -7.681 7.265 1.811 475 1HB LYS 65 2HB LYS 65 -9.852 7.917 2.138 476 2HB LYS 65 1HB LYS 65 -10.527 6.446 1.468 477 1HG LYS 65 2HG LYS 65 -10.419 5.307 3.477 478 2HG LYS 65 1HG LYS 65 -8.923 6.081 3.963 479 1HD LYS 65 2HD LYS 65 -11.499 7.684 3.840 480 2HD LYS 65 1HD LYS 65 -11.154 6.679 5.234 481 1HE LYS 65 2HE LYS 65 -9.228 7.940 5.834 482 2HE LYS 65 1HE LYS 65 -9.045 8.615 4.228 483 1HZ LYS 65 1HZ LYS 65 -11.427 9.531 4.853 484 2HZ LYS 65 2HZ LYS 65 -10.796 9.440 6.357 485 3HZ LYS 65 3HZ LYS 65 -10.052 10.336 5.212 486 H GLU 66 H GLU 66 -8.683 4.118 0.489 487 HA GLU 66 HA GLU 66 -7.676 2.741 2.784 488 1HB GLU 66 2HB GLU 66 -9.604 1.803 1.631 489 2HB GLU 66 1HB GLU 66 -8.757 1.793 0.097 490 1HG GLU 66 2HG GLU 66 -7.403 -0.035 0.687 491 2HG GLU 66 1HG GLU 66 -7.514 0.296 2.404 492 H TRP 67 H TRP 67 -6.542 3.838 -0.372 493 HA TRP 67 HA TRP 67 -4.143 2.180 -0.109 494 1HB TRP 67 2HB TRP 67 -4.958 3.876 -2.466 495 2HB TRP 67 1HB TRP 67 -3.723 2.633 -2.406 496 HD1 TRP 67 HD TRP 67 -7.460 3.060 -2.943 497 HE1 TRP 67 1HE TRP 67 -8.641 0.778 -3.549 498 HE3 TRP 67 3HE TRP 67 -3.472 0.098 -1.852 499 HZ2 TRP 67 2HZ TRP 67 -7.795 -1.946 -3.505 500 HZ3 TRP 67 3HZ TRP 67 -3.733 -2.362 -2.161 501 HH2 TRP 67 HH TRP 67 -5.801 -3.392 -2.957 502 H ASP 68 H ASP 68 -5.084 4.721 1.452 503 HA ASP 68 HA ASP 68 -3.047 6.572 0.596 504 1HB ASP 68 2HB ASP 68 -4.957 7.778 1.184 505 2HB ASP 68 1HB ASP 68 -5.431 6.633 2.423 506 H THR 69 H THR 69 -3.913 4.261 3.186 507 HA THR 69 HA THR 69 -1.379 4.898 4.550 508 HB THR 69 HB THR 69 -2.805 3.598 6.442 509 HG1 THR 69 1HG THR 69 -5.059 4.022 6.014 510 1HG2 THR 69 1HG2 THR 69 -2.512 6.422 5.694 511 2HG2 THR 69 2HG2 THR 69 -4.105 6.121 6.429 512 3HG2 THR 69 3HG2 THR 69 -2.621 5.703 7.319 513 HA PRO 70 HA PRO 70 -0.028 0.904 3.768 514 1HB PRO 70 2HB PRO 70 1.519 0.337 5.947 515 2HB PRO 70 1HB PRO 70 2.064 1.344 4.621 516 1HG PRO 70 2HG PRO 70 1.203 2.153 7.331 517 2HG PRO 70 1HG PRO 70 2.135 3.062 6.158 518 1HD PRO 70 2HD PRO 70 -0.641 3.415 6.790 519 2HD PRO 70 1HD PRO 70 0.262 4.243 5.537 520 H ASN 71 H ASN 71 -1.520 1.342 6.888 521 HA ASN 71 HA ASN 71 -1.857 -1.374 7.377 522 1HB ASN 71 2HB ASN 71 -2.744 1.189 8.519 523 2HB ASN 71 1HB ASN 71 -4.031 0.001 8.594 524 1HD2 ASN 71 1HD2 ASN 71 -2.613 1.132 10.780 525 2HD2 ASN 71 2HD2 ASN 71 -1.792 -0.134 11.630 526 H LYS 72 H LYS 72 -4.177 1.206 6.235 527 HA LYS 72 HA LYS 72 -6.351 -0.375 5.762 528 1HB LYS 72 2HB LYS 72 -5.412 2.273 4.994 529 2HB LYS 72 1HB LYS 72 -6.370 1.542 3.723 530 1HG LYS 72 2HG LYS 72 -8.257 1.206 5.188 531 2HG LYS 72 1HG LYS 72 -7.298 1.517 6.622 532 1HD LYS 72 2HD LYS 72 -7.139 3.786 4.782 533 2HD LYS 72 1HD LYS 72 -8.813 3.402 5.131 534 1HE LYS 72 2HE LYS 72 -6.635 3.874 7.225 535 2HE LYS 72 1HE LYS 72 -7.878 5.025 6.778 536 1HZ LYS 72 1HZ LYS 72 -8.150 3.301 8.739 537 2HZ LYS 72 2HZ LYS 72 -9.423 3.885 7.900 538 3HZ LYS 72 3HZ LYS 72 -8.814 2.414 7.540 539 H ILE 73 H ILE 73 -3.326 -0.102 3.932 540 HA ILE 73 HA ILE 73 -4.408 -1.483 1.655 541 HB ILE 73 HB ILE 73 -1.725 -0.408 2.451 542 1HG1 ILE 73 2HG1 ILE 73 -3.644 0.139 0.170 543 2HG1 ILE 73 1HG1 ILE 73 -3.318 1.177 1.543 544 1HG2 ILE 73 1HG2 ILE 73 -0.676 -2.002 1.309 545 2HG2 ILE 73 2HG2 ILE 73 -2.205 -2.679 0.699 546 3HG2 ILE 73 3HG2 ILE 73 -1.427 -1.325 -0.156 547 1HD1 ILE 73 1HD1 ILE 73 -1.694 0.712 -0.910 548 2HD1 ILE 73 2HD1 ILE 73 -1.816 2.160 0.117 549 3HD1 ILE 73 3HD1 ILE 73 -0.765 0.810 0.605 550 H ILE 74 H ILE 74 -2.091 -2.211 4.349 551 HA ILE 74 HA ILE 74 -1.492 -4.787 3.664 552 HB ILE 74 HB ILE 74 -1.561 -3.193 6.152 553 1HG1 ILE 74 2HG1 ILE 74 0.572 -5.008 4.997 554 2HG1 ILE 74 1HG1 ILE 74 0.357 -3.338 4.514 555 1HG2 ILE 74 1HG2 ILE 74 -1.618 -6.206 6.143 556 2HG2 ILE 74 2HG2 ILE 74 -0.779 -5.291 7.419 557 3HG2 ILE 74 3HG2 ILE 74 -2.526 -5.064 7.163 558 1HD1 ILE 74 1HD1 ILE 74 2.036 -3.339 6.241 559 2HD1 ILE 74 2HD1 ILE 74 0.553 -2.699 6.990 560 3HD1 ILE 74 3HD1 ILE 74 1.047 -4.382 7.291 561 H ALA 75 H ALA 75 -4.522 -3.438 4.868 562 HA ALA 75 HA ALA 75 -5.569 -6.024 5.589 563 1HB ALA 75 1HB ALA 75 -7.046 -3.388 5.269 564 2HB ALA 75 2HB ALA 75 -7.513 -4.793 6.256 565 3HB ALA 75 3HB ALA 75 -6.109 -3.805 6.724 566 H LYS 76 H LYS 76 -5.703 -3.685 2.871 567 HA LYS 76 HA LYS 76 -7.797 -4.951 1.499 568 1HB LYS 76 2HB LYS 76 -6.753 -2.589 1.219 569 2HB LYS 76 1HB LYS 76 -5.593 -3.381 0.170 570 1HG LYS 76 2HG LYS 76 -7.521 -2.503 -1.128 571 2HG LYS 76 1HG LYS 76 -7.412 -4.247 -1.261 572 1HD LYS 76 2HD LYS 76 -9.290 -4.614 0.115 573 2HD LYS 76 1HD LYS 76 -9.120 -3.079 0.943 574 1HE LYS 76 2HE LYS 76 -9.856 -1.863 -1.089 575 2HE LYS 76 1HE LYS 76 -9.937 -3.364 -1.990 576 1HZ LYS 76 1HZ LYS 76 -12.001 -3.492 -1.265 577 2HZ LYS 76 2HZ LYS 76 -11.431 -3.807 0.233 578 3HZ LYS 76 3HZ LYS 76 -11.814 -2.277 -0.189 579 H VAL 77 H VAL 77 -4.463 -5.804 2.057 580 HA VAL 77 HA VAL 77 -4.228 -7.420 -0.300 581 HB VAL 77 HB VAL 77 -2.568 -7.174 2.216 582 1HG1 VAL 77 1HG1 VAL 77 -0.783 -8.272 0.786 583 2HG1 VAL 77 2HG1 VAL 77 -2.107 -9.333 1.326 584 3HG1 VAL 77 3HG1 VAL 77 -2.082 -8.719 -0.345 585 1HG2 VAL 77 1HG2 VAL 77 -1.798 -5.288 1.309 586 2HG2 VAL 77 2HG2 VAL 77 -1.204 -6.224 -0.083 587 3HG2 VAL 77 3HG2 VAL 77 -2.837 -5.515 -0.119 588 H GLU 78 H GLU 78 -4.916 -7.895 3.210 589 HA GLU 78 HA GLU 78 -5.061 -10.704 2.907 590 1HB GLU 78 2HB GLU 78 -5.927 -8.828 5.148 591 2HB GLU 78 1HB GLU 78 -6.026 -10.574 5.264 592 1HG GLU 78 2HG GLU 78 -3.378 -9.629 4.330 593 2HG GLU 78 1HG GLU 78 -3.797 -9.024 5.920 594 H GLN 79 H GLN 79 -7.254 -7.985 2.492 595 HA GLN 79 HA GLN 79 -9.554 -9.718 2.627 596 1HB GLN 79 2HB GLN 79 -9.046 -6.817 2.765 597 2HB GLN 79 1HB GLN 79 -10.418 -7.204 1.746 598 1HG GLN 79 2HG GLN 79 -11.216 -8.746 3.685 599 2HG GLN 79 1HG GLN 79 -10.005 -7.949 4.670 600 1HE2 GLN 79 1HE2 GLN 79 -10.517 -6.147 5.664 601 2HE2 GLN 79 2HE2 GLN 79 -11.881 -5.129 5.340 602 H ALA 80 H ALA 80 -7.345 -9.916 0.514 603 HA ALA 80 HA ALA 80 -9.152 -10.119 -1.725 604 1HB ALA 80 1HB ALA 80 -6.632 -8.665 -2.369 605 2HB ALA 80 2HB ALA 80 -8.263 -8.492 -3.061 606 3HB ALA 80 3HB ALA 80 -7.875 -7.735 -1.498 607 H GLN 81 H GLN 81 -7.486 -11.793 0.200 608 HA GLN 81 HA GLN 81 -5.381 -12.764 -1.466 609 1HB GLN 81 2HB GLN 81 -6.365 -13.237 1.314 610 2HB GLN 81 1HB GLN 81 -5.577 -14.605 0.552 611 1HG GLN 81 2HG GLN 81 -4.410 -11.806 0.911 612 2HG GLN 81 1HG GLN 81 -3.903 -13.262 1.746 613 1HE2 GLN 81 1HE2 GLN 81 -3.137 -11.201 -0.650 614 2HE2 GLN 81 2HE2 GLN 81 -2.192 -12.207 -1.696 Start of MODEL 24 1 H ALA 2 H ALA 2 4.517 -21.480 4.140 2 HA ALA 2 HA ALA 2 2.904 -21.275 5.793 3 1HB ALA 2 1HB ALA 2 4.610 -19.404 7.220 4 2HB ALA 2 2HB ALA 2 4.386 -21.151 7.478 5 3HB ALA 2 3HB ALA 2 5.589 -20.573 6.301 6 H ASP 3 H ASP 3 4.350 -17.952 5.833 7 HA ASP 3 HA ASP 3 2.360 -16.562 4.720 8 1HB ASP 3 2HB ASP 3 1.240 -15.752 7.023 9 2HB ASP 3 1HB ASP 3 0.581 -17.090 6.101 10 H GLU 4 H GLU 4 2.179 -14.195 5.996 11 HA GLU 4 HA GLU 4 3.175 -12.565 7.118 12 1HB GLU 4 2HB GLU 4 4.396 -14.558 8.426 13 2HB GLU 4 1HB GLU 4 5.784 -14.026 7.498 14 1HG GLU 4 2HG GLU 4 5.804 -11.878 8.494 15 2HG GLU 4 1HG GLU 4 4.116 -11.962 8.956 16 H ALA 5 H ALA 5 4.473 -14.414 4.486 17 HA ALA 5 HA ALA 5 6.500 -12.573 3.712 18 1HB ALA 5 1HB ALA 5 5.994 -13.964 1.464 19 2HB ALA 5 2HB ALA 5 6.912 -14.652 2.824 20 3HB ALA 5 3HB ALA 5 5.184 -15.034 2.633 21 H ILE 6 H ILE 6 3.117 -12.378 3.811 22 HA ILE 6 HA ILE 6 2.957 -10.759 1.394 23 HB ILE 6 HB ILE 6 1.069 -12.264 3.091 24 1HG1 ILE 6 2HG1 ILE 6 1.258 -11.609 0.138 25 2HG1 ILE 6 1HG1 ILE 6 1.730 -13.105 0.918 26 1HG2 ILE 6 1HG2 ILE 6 -0.764 -10.722 1.908 27 2HG2 ILE 6 2HG2 ILE 6 -0.147 -10.405 3.546 28 3HG2 ILE 6 3HG2 ILE 6 0.502 -9.496 2.159 29 1HD1 ILE 6 1HD1 ILE 6 -0.374 -13.817 0.405 30 2HD1 ILE 6 2HD1 ILE 6 -0.890 -12.825 1.790 31 3HD1 ILE 6 3HD1 ILE 6 -0.963 -12.158 0.140 32 H LYS 7 H LYS 7 2.332 -10.566 4.960 33 HA LYS 7 HA LYS 7 1.724 -7.839 4.946 34 1HB LYS 7 2HB LYS 7 1.589 -9.854 6.767 35 2HB LYS 7 1HB LYS 7 2.988 -8.989 7.370 36 1HG LYS 7 2HG LYS 7 1.255 -6.899 6.789 37 2HG LYS 7 1HG LYS 7 0.136 -8.151 7.295 38 1HD LYS 7 2HD LYS 7 2.583 -7.799 8.996 39 2HD LYS 7 1HD LYS 7 1.416 -6.492 9.044 40 1HE LYS 7 2HE LYS 7 -0.397 -8.167 9.567 41 2HE LYS 7 1HE LYS 7 0.807 -9.439 9.584 42 1HZ LYS 7 1HZ LYS 7 1.616 -7.299 11.214 43 2HZ LYS 7 2HZ LYS 7 0.128 -7.805 11.658 44 3HZ LYS 7 3HZ LYS 7 1.371 -8.862 11.618 45 H ASN 8 H ASN 8 4.801 -9.656 5.075 46 HA ASN 8 HA ASN 8 6.331 -7.412 5.781 47 1HB ASN 8 2HB ASN 8 6.794 -10.126 5.641 48 2HB ASN 8 1HB ASN 8 7.605 -9.607 4.176 49 1HD2 ASN 8 1HD2 ASN 8 8.969 -10.735 6.269 50 2HD2 ASN 8 2HD2 ASN 8 10.014 -9.576 7.018 51 H GLY 9 H GLY 9 5.940 -9.319 2.690 52 1HA GLY 9 2HA GLY 9 7.419 -7.794 0.974 53 2HA GLY 9 1HA GLY 9 5.971 -8.678 0.531 54 H VAL 10 H VAL 10 3.915 -7.346 1.846 55 HA VAL 10 HA VAL 10 3.413 -5.214 0.182 56 HB VAL 10 HB VAL 10 2.305 -6.227 2.766 57 1HG1 VAL 10 1HG1 VAL 10 2.056 -3.905 3.180 58 2HG1 VAL 10 2HG1 VAL 10 1.611 -3.571 1.489 59 3HG1 VAL 10 3HG1 VAL 10 0.485 -4.455 2.547 60 1HG2 VAL 10 1HG2 VAL 10 1.775 -7.260 0.540 61 2HG2 VAL 10 2HG2 VAL 10 0.352 -6.684 1.440 62 3HG2 VAL 10 3HG2 VAL 10 0.988 -5.732 0.078 63 H LEU 11 H LEU 11 4.631 -5.211 3.598 64 HA LEU 11 HA LEU 11 4.837 -2.412 3.739 65 1HB LEU 11 2HB LEU 11 5.041 -4.544 5.468 66 2HB LEU 11 1HB LEU 11 6.692 -3.960 5.396 67 HG LEU 11 HG LEU 11 4.230 -2.585 6.421 68 1HD1 LEU 11 1HD1 LEU 11 6.975 -3.242 7.446 69 2HD1 LEU 11 2HD1 LEU 11 6.041 -1.912 8.172 70 3HD1 LEU 11 3HD1 LEU 11 5.381 -3.565 8.167 71 1HD2 LEU 11 1HD2 LEU 11 6.633 -1.236 5.209 72 2HD2 LEU 11 2HD2 LEU 11 4.903 -0.874 4.995 73 3HD2 LEU 11 3HD2 LEU 11 5.713 -0.474 6.529 74 H ASP 12 H ASP 12 7.217 -5.023 2.945 75 HA ASP 12 HA ASP 12 9.415 -3.443 2.719 76 1HB ASP 12 2HB ASP 12 8.900 -6.074 2.334 77 2HB ASP 12 1HB ASP 12 8.977 -5.591 0.652 78 H ILE 13 H ILE 13 7.087 -4.498 0.113 79 HA ILE 13 HA ILE 13 8.217 -3.029 -1.946 80 HB ILE 13 HB ILE 13 5.684 -4.424 -1.399 81 1HG1 ILE 13 2HG1 ILE 13 6.911 -4.427 -4.088 82 2HG1 ILE 13 1HG1 ILE 13 7.974 -4.957 -2.800 83 1HG2 ILE 13 1HG2 ILE 13 5.827 -2.219 -3.471 84 2HG2 ILE 13 2HG2 ILE 13 4.605 -3.513 -3.459 85 3HG2 ILE 13 3HG2 ILE 13 4.693 -2.360 -2.107 86 1HD1 ILE 13 1HD1 ILE 13 6.222 -6.575 -2.029 87 2HD1 ILE 13 2HD1 ILE 13 5.186 -6.061 -3.383 88 3HD1 ILE 13 3HD1 ILE 13 6.734 -6.879 -3.707 89 H LEU 14 H LEU 14 6.470 -2.000 0.878 90 HA LEU 14 HA LEU 14 5.569 0.459 -0.319 91 1HB LEU 14 2HB LEU 14 4.915 -1.096 1.940 92 2HB LEU 14 1HB LEU 14 5.521 0.427 2.559 93 HG LEU 14 HG LEU 14 3.703 0.964 0.397 94 1HD1 LEU 14 1HD1 LEU 14 1.819 -0.218 0.806 95 2HD1 LEU 14 2HD1 LEU 14 2.986 -1.429 1.392 96 3HD1 LEU 14 3HD1 LEU 14 2.151 -0.364 2.549 97 1HD2 LEU 14 1HD2 LEU 14 3.968 2.686 1.892 98 2HD2 LEU 14 2HD2 LEU 14 2.430 1.986 2.453 99 3HD2 LEU 14 3HD2 LEU 14 3.944 1.611 3.311 100 H ALA 15 H ALA 15 7.828 -0.374 2.411 101 HA ALA 15 HA ALA 15 8.944 2.110 2.683 102 1HB ALA 15 1HB ALA 15 10.385 1.041 4.105 103 2HB ALA 15 2HB ALA 15 9.240 -0.302 3.876 104 3HB ALA 15 3HB ALA 15 10.751 -0.251 2.938 105 H ASP 16 H ASP 16 9.431 -0.337 0.160 106 HA ASP 16 HA ASP 16 11.835 0.798 -0.778 107 1HB ASP 16 2HB ASP 16 10.156 -1.474 -1.355 108 2HB ASP 16 1HB ASP 16 10.408 -0.616 -2.861 109 H LEU 17 H LEU 17 8.316 1.049 -1.503 110 HA LEU 17 HA LEU 17 8.604 2.555 -3.870 111 1HB LEU 17 2HB LEU 17 6.509 1.450 -2.256 112 2HB LEU 17 1HB LEU 17 6.128 3.122 -2.617 113 HG LEU 17 HG LEU 17 7.025 1.950 -5.044 114 1HD1 LEU 17 1HD1 LEU 17 5.226 0.167 -5.262 115 2HD1 LEU 17 2HD1 LEU 17 6.660 -0.256 -4.296 116 3HD1 LEU 17 3HD1 LEU 17 5.136 0.182 -3.485 117 1HD2 LEU 17 1HD2 LEU 17 4.260 2.748 -4.092 118 2HD2 LEU 17 2HD2 LEU 17 5.460 3.795 -4.888 119 3HD2 LEU 17 3HD2 LEU 17 4.723 2.445 -5.784 120 H THR 18 H THR 18 7.924 3.455 -0.422 121 HA THR 18 HA THR 18 7.892 6.230 -0.942 122 HB THR 18 HB THR 18 7.769 6.374 1.476 123 HG1 THR 18 1HG THR 18 8.927 4.867 2.666 124 1HG2 THR 18 1HG2 THR 18 5.910 5.060 1.842 125 2HG2 THR 18 2HG2 THR 18 6.086 4.621 0.126 126 3HG2 THR 18 3HG2 THR 18 6.771 3.569 1.388 127 H GLY 19 H GLY 19 10.492 3.909 -0.126 128 1HA GLY 19 2HA GLY 19 12.704 4.217 -0.728 129 2HA GLY 19 1HA GLY 19 12.433 5.936 -0.931 130 H SER 20 H SER 20 11.068 4.484 1.958 131 HA SER 20 HA SER 20 13.396 4.842 3.532 132 1HB SER 20 2HB SER 20 11.342 7.005 3.359 133 2HB SER 20 1HB SER 20 11.844 6.572 4.982 134 HG SER 20 HG SER 20 13.937 7.194 4.565 135 H ASP 21 H ASP 21 12.880 4.359 5.913 136 HA ASP 21 HA ASP 21 11.035 2.215 5.956 137 1HB ASP 21 2HB ASP 21 12.376 1.564 7.662 138 2HB ASP 21 1HB ASP 21 13.308 3.030 7.429 139 H ASP 22 H ASP 22 10.606 5.512 6.061 140 HA ASP 22 HA ASP 22 9.333 6.319 8.196 141 1HB ASP 22 2HB ASP 22 7.572 6.880 5.941 142 2HB ASP 22 1HB ASP 22 8.629 7.976 6.809 143 H VAL 23 H VAL 23 7.873 4.257 5.578 144 HA VAL 23 HA VAL 23 5.463 3.903 7.136 145 HB VAL 23 HB VAL 23 4.709 2.638 5.185 146 1HG1 VAL 23 1HG1 VAL 23 4.875 4.526 3.499 147 2HG1 VAL 23 2HG1 VAL 23 4.273 4.978 5.113 148 3HG1 VAL 23 3HG1 VAL 23 5.952 5.349 4.652 149 1HG2 VAL 23 1HG2 VAL 23 6.072 2.395 3.192 150 2HG2 VAL 23 2HG2 VAL 23 7.427 3.245 3.974 151 3HG2 VAL 23 3HG2 VAL 23 6.910 1.653 4.577 152 H LYS 24 H LYS 24 8.457 2.172 6.244 153 HA LYS 24 HA LYS 24 7.889 -0.392 6.760 154 1HB LYS 24 2HB LYS 24 10.091 0.405 6.103 155 2HB LYS 24 1HB LYS 24 10.324 1.174 7.660 156 1HG LYS 24 2HG LYS 24 9.601 -1.721 7.784 157 2HG LYS 24 1HG LYS 24 11.157 -1.381 7.054 158 1HD LYS 24 2HD LYS 24 10.994 0.294 9.363 159 2HD LYS 24 1HD LYS 24 10.393 -1.273 9.865 160 1HE LYS 24 2HE LYS 24 12.427 -2.382 9.285 161 2HE LYS 24 1HE LYS 24 12.954 -1.075 8.243 162 1HZ LYS 24 1HZ LYS 24 13.032 0.304 10.301 163 2HZ LYS 24 2HZ LYS 24 12.822 -1.062 11.171 164 3HZ LYS 24 3HZ LYS 24 14.144 -0.891 10.227 165 H LYS 25 H LYS 25 7.962 2.284 9.102 166 HA LYS 25 HA LYS 25 7.492 0.367 11.258 167 1HB LYS 25 2HB LYS 25 9.295 2.024 11.564 168 2HB LYS 25 1HB LYS 25 8.142 3.328 11.358 169 1HG LYS 25 2HG LYS 25 7.438 1.253 13.408 170 2HG LYS 25 1HG LYS 25 8.800 2.286 13.792 171 1HD LYS 25 2HD LYS 25 7.206 4.260 13.068 172 2HD LYS 25 1HD LYS 25 5.920 3.088 13.270 173 1HE LYS 25 2HE LYS 25 7.714 2.946 15.559 174 2HE LYS 25 1HE LYS 25 7.229 4.611 15.308 175 1HZ LYS 25 1HZ LYS 25 5.574 2.306 15.910 176 2HZ LYS 25 2HZ LYS 25 5.509 3.819 16.524 177 3HZ LYS 25 3HZ LYS 25 4.912 3.516 15.033 178 H ASN 26 H ASN 26 6.282 3.734 10.753 179 HA ASN 26 HA ASN 26 3.959 3.486 11.988 180 1HB ASN 26 2HB ASN 26 4.981 5.141 9.756 181 2HB ASN 26 1HB ASN 26 3.237 4.977 9.703 182 1HD2 ASN 26 1HD2 ASN 26 2.075 5.309 11.785 183 2HD2 ASN 26 2HD2 ASN 26 2.601 6.587 12.829 184 H LEU 27 H LEU 27 1.677 3.089 11.219 185 HA LEU 27 HA LEU 27 1.566 1.373 8.843 186 1HB LEU 27 2HB LEU 27 0.080 0.810 11.407 187 2HB LEU 27 1HB LEU 27 0.151 -0.184 9.966 188 HG LEU 27 HG LEU 27 2.831 0.190 10.838 189 1HD1 LEU 27 1HD1 LEU 27 0.877 -0.167 13.068 190 2HD1 LEU 27 2HD1 LEU 27 2.404 -1.079 13.119 191 3HD1 LEU 27 3HD1 LEU 27 2.431 0.699 13.029 192 1HD2 LEU 27 1HD2 LEU 27 0.914 -2.134 10.727 193 2HD2 LEU 27 2HD2 LEU 27 2.277 -1.748 9.650 194 3HD2 LEU 27 3HD2 LEU 27 2.586 -2.319 11.307 195 H ASP 28 H ASP 28 0.868 4.308 9.889 196 HA ASP 28 HA ASP 28 -1.641 4.304 8.463 197 1HB ASP 28 2HB ASP 28 -1.355 4.773 11.329 198 2HB ASP 28 1HB ASP 28 -1.916 6.238 10.549 199 H LEU 29 H LEU 29 1.220 5.109 7.965 200 HA LEU 29 HA LEU 29 1.286 7.966 8.210 201 1HB LEU 29 2HB LEU 29 3.275 6.521 8.440 202 2HB LEU 29 1HB LEU 29 3.124 6.058 6.756 203 HG LEU 29 HG LEU 29 3.565 8.336 6.032 204 1HD1 LEU 29 1HD1 LEU 29 3.477 8.969 8.979 205 2HD1 LEU 29 2HD1 LEU 29 4.318 10.016 7.810 206 3HD1 LEU 29 3HD1 LEU 29 2.571 9.718 7.642 207 1HD2 LEU 29 1HD2 LEU 29 5.642 7.517 6.050 208 2HD2 LEU 29 2HD2 LEU 29 5.875 8.495 7.518 209 3HD2 LEU 29 3HD2 LEU 29 5.439 6.775 7.654 210 H ASN 30 H ASN 30 -0.354 8.941 7.049 211 HA ASN 30 HA ASN 30 -1.539 8.183 4.826 212 1HB ASN 30 2HB ASN 30 -0.535 11.044 5.261 213 2HB ASN 30 1HB ASN 30 -1.934 10.580 4.314 214 1HD2 ASN 30 1HD2 ASN 30 -3.193 8.733 5.792 215 2HD2 ASN 30 2HD2 ASN 30 -3.745 9.375 7.303 216 H LEU 31 H LEU 31 -0.339 7.128 3.173 217 HA LEU 31 HA LEU 31 2.188 7.850 2.323 218 1HB LEU 31 2HB LEU 31 0.022 6.525 0.689 219 2HB LEU 31 1HB LEU 31 1.750 6.447 0.406 220 HG LEU 31 HG LEU 31 0.641 5.467 3.020 221 1HD1 LEU 31 1HD1 LEU 31 -0.808 4.323 1.554 222 2HD1 LEU 31 2HD1 LEU 31 0.487 4.029 0.369 223 3HD1 LEU 31 3HD1 LEU 31 0.499 3.175 1.930 224 1HD2 LEU 31 1HD2 LEU 31 2.570 4.045 3.026 225 2HD2 LEU 31 2HD2 LEU 31 2.964 4.482 1.346 226 3HD2 LEU 31 3HD2 LEU 31 3.097 5.701 2.638 227 H PHE 32 H PHE 32 -0.891 9.401 1.821 228 HA PHE 32 HA PHE 32 0.086 10.821 -0.518 229 1HB PHE 32 2HB PHE 32 -2.507 10.655 1.114 230 2HB PHE 32 1HB PHE 32 -2.320 11.862 -0.142 231 HD1 PHE 32 1HD PHE 32 -3.574 8.703 0.528 232 HD2 PHE 32 2HD PHE 32 -1.437 10.817 -2.466 233 HE1 PHE 32 1HE PHE 32 -4.329 7.035 -1.189 234 HE2 PHE 32 2HE PHE 32 -2.192 9.150 -4.183 235 HZ PHE 32 HZ PHE 32 -3.629 7.278 -3.524 236 H GLU 33 H GLU 33 -1.199 11.546 2.806 237 HA GLU 33 HA GLU 33 -0.529 14.265 2.593 238 1HB GLU 33 2HB GLU 33 -2.080 12.709 4.297 239 2HB GLU 33 1HB GLU 33 -0.739 13.158 5.331 240 1HG GLU 33 2HG GLU 33 -1.087 15.566 4.731 241 2HG GLU 33 1HG GLU 33 -2.435 15.113 3.706 242 H THR 34 H THR 34 1.403 11.510 2.885 243 HA THR 34 HA THR 34 3.431 12.888 4.497 244 HB THR 34 HB THR 34 3.167 9.980 3.565 245 HG1 THR 34 1HG THR 34 1.584 10.578 5.156 246 1HG2 THR 34 1HG2 THR 34 4.931 9.487 5.142 247 2HG2 THR 34 2HG2 THR 34 5.538 10.845 4.165 248 3HG2 THR 34 3HG2 THR 34 4.897 11.141 5.799 249 H GLY 35 H GLY 35 2.489 12.318 1.248 250 1HA GLY 35 2HA GLY 35 3.496 13.000 -0.659 251 2HA GLY 35 1HA GLY 35 4.855 13.596 0.274 252 H LEU 36 H LEU 36 3.838 10.268 0.833 253 HA LEU 36 HA LEU 36 6.373 9.351 -0.158 254 1HB LEU 36 2HB LEU 36 4.054 7.952 1.175 255 2HB LEU 36 1HB LEU 36 5.539 7.154 0.698 256 HG LEU 36 HG LEU 36 5.354 9.438 2.682 257 1HD1 LEU 36 1HD1 LEU 36 4.493 7.822 3.997 258 2HD1 LEU 36 2HD1 LEU 36 5.124 6.502 2.981 259 3HD1 LEU 36 3HD1 LEU 36 6.197 7.323 4.139 260 1HD2 LEU 36 1HD2 LEU 36 7.555 9.637 2.525 261 2HD2 LEU 36 2HD2 LEU 36 7.760 7.911 2.907 262 3HD2 LEU 36 3HD2 LEU 36 7.567 8.431 1.216 263 H LEU 37 H LEU 37 2.983 9.462 -1.194 264 HA LEU 37 HA LEU 37 3.842 8.231 -3.706 265 1HB LEU 37 2HB LEU 37 2.459 6.767 -1.973 266 2HB LEU 37 1HB LEU 37 1.111 7.638 -2.675 267 HG LEU 37 HG LEU 37 2.054 6.874 -4.960 268 1HD1 LEU 37 1HD1 LEU 37 4.039 5.852 -4.844 269 2HD1 LEU 37 2HD1 LEU 37 3.874 5.518 -3.104 270 3HD1 LEU 37 3HD1 LEU 37 3.120 4.430 -4.295 271 1HD2 LEU 37 1HD2 LEU 37 0.192 5.679 -4.818 272 2HD2 LEU 37 2HD2 LEU 37 1.123 4.384 -4.027 273 3HD2 LEU 37 3HD2 LEU 37 0.308 5.624 -3.043 274 H ASP 38 H ASP 38 2.201 8.743 -5.504 275 HA ASP 38 HA ASP 38 1.026 11.352 -4.956 276 1HB ASP 38 2HB ASP 38 3.006 10.518 -7.008 277 2HB ASP 38 1HB ASP 38 1.642 11.394 -7.673 278 H SER 39 H SER 39 1.261 8.568 -7.299 279 HA SER 39 HA SER 39 -1.391 7.912 -7.166 280 1HB SER 39 2HB SER 39 -1.953 10.029 -8.215 281 2HB SER 39 1HB SER 39 -0.736 9.810 -9.456 282 HG SER 39 HG SER 39 -2.776 7.821 -9.183 283 H MET 40 H MET 40 0.922 8.475 -9.931 284 HA MET 40 HA MET 40 0.516 6.152 -11.226 285 1HB MET 40 2HB MET 40 2.105 8.241 -11.665 286 2HB MET 40 1HB MET 40 3.327 7.280 -10.855 287 1HG MET 40 2HG MET 40 3.704 6.147 -12.785 288 2HG MET 40 1HG MET 40 2.062 5.536 -12.743 289 1HE MET 40 1HE MET 40 -0.035 7.966 -13.651 290 2HE MET 40 2HE MET 40 0.153 7.208 -15.250 291 3HE MET 40 3HE MET 40 0.248 6.214 -13.777 292 H GLY 41 H GLY 41 2.136 6.630 -8.139 293 1HA GLY 41 2HA GLY 41 3.786 4.360 -8.088 294 2HA GLY 41 1HA GLY 41 3.136 5.217 -6.706 295 H THR 42 H THR 42 0.424 4.890 -6.790 296 HA THR 42 HA THR 42 -0.011 2.398 -5.759 297 HB THR 42 HB THR 42 -1.444 4.726 -6.117 298 HG1 THR 42 1HG THR 42 -2.270 3.476 -4.488 299 1HG2 THR 42 1HG2 THR 42 -2.948 2.535 -7.629 300 2HG2 THR 42 2HG2 THR 42 -3.480 4.209 -7.339 301 3HG2 THR 42 3HG2 THR 42 -2.133 3.883 -8.457 302 H VAL 43 H VAL 43 -0.128 3.414 -9.192 303 HA VAL 43 HA VAL 43 -1.346 1.142 -10.202 304 HB VAL 43 HB VAL 43 0.803 2.866 -11.451 305 1HG1 VAL 43 1HG1 VAL 43 -1.250 1.896 -13.249 306 2HG1 VAL 43 2HG1 VAL 43 0.520 1.719 -13.344 307 3HG1 VAL 43 3HG1 VAL 43 -0.446 0.540 -12.423 308 1HG2 VAL 43 1HG2 VAL 43 -1.547 3.784 -12.470 309 2HG2 VAL 43 2HG2 VAL 43 -2.047 3.362 -10.815 310 3HG2 VAL 43 3HG2 VAL 43 -0.709 4.507 -11.076 311 H GLN 44 H GLN 44 1.954 1.723 -9.016 312 HA GLN 44 HA GLN 44 3.037 -0.575 -10.224 313 1HB GLN 44 2HB GLN 44 4.432 1.339 -9.526 314 2HB GLN 44 1HB GLN 44 3.989 1.084 -7.849 315 1HG GLN 44 2HG GLN 44 5.360 -0.772 -7.613 316 2HG GLN 44 1HG GLN 44 5.120 -1.299 -9.267 317 1HE2 GLN 44 1HE2 GLN 44 7.315 -1.628 -9.554 318 2HE2 GLN 44 2HE2 GLN 44 8.447 -0.337 -9.780 319 H LEU 45 H LEU 45 2.496 0.145 -6.694 320 HA LEU 45 HA LEU 45 2.840 -2.318 -5.687 321 1HB LEU 45 2HB LEU 45 0.749 -1.475 -4.183 322 2HB LEU 45 1HB LEU 45 2.417 -0.976 -3.975 323 HG LEU 45 HG LEU 45 0.766 0.616 -5.878 324 1HD1 LEU 45 1HD1 LEU 45 -0.057 0.138 -3.131 325 2HD1 LEU 45 2HD1 LEU 45 0.291 1.857 -3.431 326 3HD1 LEU 45 3HD1 LEU 45 -0.893 0.999 -4.446 327 1HD2 LEU 45 1HD2 LEU 45 3.265 0.919 -5.100 328 2HD2 LEU 45 2HD2 LEU 45 2.208 2.324 -5.374 329 3HD2 LEU 45 3HD2 LEU 45 2.505 1.743 -3.718 330 H LEU 46 H LEU 46 -0.182 -1.063 -7.230 331 HA LEU 46 HA LEU 46 -1.800 -3.220 -6.780 332 1HB LEU 46 2HB LEU 46 -1.744 -0.906 -8.453 333 2HB LEU 46 1HB LEU 46 -2.272 -2.271 -9.418 334 HG LEU 46 HG LEU 46 -3.547 -1.150 -6.920 335 1HD1 LEU 46 1HD1 LEU 46 -5.509 -0.904 -8.351 336 2HD1 LEU 46 2HD1 LEU 46 -4.104 -0.051 -9.036 337 3HD1 LEU 46 3HD1 LEU 46 -4.617 -1.613 -9.718 338 1HD2 LEU 46 1HD2 LEU 46 -3.485 -3.908 -7.736 339 2HD2 LEU 46 2HD2 LEU 46 -4.276 -3.158 -6.329 340 3HD2 LEU 46 3HD2 LEU 46 -5.140 -3.269 -7.882 341 H LEU 47 H LEU 47 0.641 -2.737 -9.402 342 HA LEU 47 HA LEU 47 0.077 -5.201 -10.653 343 1HB LEU 47 2HB LEU 47 1.470 -2.950 -11.282 344 2HB LEU 47 1HB LEU 47 2.781 -4.057 -10.927 345 HG LEU 47 HG LEU 47 2.306 -4.070 -13.293 346 1HD1 LEU 47 1HD1 LEU 47 3.090 -6.155 -12.418 347 2HD1 LEU 47 2HD1 LEU 47 1.452 -6.617 -11.895 348 3HD1 LEU 47 3HD1 LEU 47 1.833 -6.500 -13.630 349 1HD2 LEU 47 1HD2 LEU 47 -0.162 -5.338 -13.606 350 2HD2 LEU 47 2HD2 LEU 47 -0.456 -4.057 -12.405 351 3HD2 LEU 47 3HD2 LEU 47 0.238 -3.646 -13.991 352 H GLU 48 H GLU 48 1.817 -4.285 -7.762 353 HA GLU 48 HA GLU 48 3.295 -6.761 -7.783 354 1HB GLU 48 2HB GLU 48 3.945 -4.266 -6.869 355 2HB GLU 48 1HB GLU 48 3.359 -4.984 -5.382 356 1HG GLU 48 2HG GLU 48 5.806 -5.347 -5.668 357 2HG GLU 48 1HG GLU 48 4.933 -6.866 -5.607 358 H LEU 49 H LEU 49 0.278 -5.465 -6.682 359 HA LEU 49 HA LEU 49 0.067 -7.415 -4.533 360 1HB LEU 49 2HB LEU 49 -1.612 -5.075 -5.416 361 2HB LEU 49 1HB LEU 49 -2.186 -6.246 -4.245 362 HG LEU 49 HG LEU 49 0.248 -4.466 -3.957 363 1HD1 LEU 49 1HD1 LEU 49 -0.967 -3.072 -2.637 364 2HD1 LEU 49 2HD1 LEU 49 -2.278 -3.655 -3.692 365 3HD1 LEU 49 3HD1 LEU 49 -2.055 -4.363 -2.073 366 1HD2 LEU 49 1HD2 LEU 49 1.021 -6.067 -2.600 367 2HD2 LEU 49 2HD2 LEU 49 -0.243 -5.520 -1.472 368 3HD2 LEU 49 3HD2 LEU 49 -0.545 -6.911 -2.540 369 H GLN 50 H GLN 50 -0.579 -7.040 -7.906 370 HA GLN 50 HA GLN 50 -2.642 -9.082 -7.758 371 1HB GLN 50 2HB GLN 50 -2.999 -6.901 -9.069 372 2HB GLN 50 1HB GLN 50 -1.800 -7.481 -10.208 373 1HG GLN 50 2HG GLN 50 -3.166 -9.220 -10.989 374 2HG GLN 50 1HG GLN 50 -4.053 -9.348 -9.484 375 1HE2 GLN 50 1HE2 GLN 50 -4.752 -8.918 -12.409 376 2HE2 GLN 50 2HE2 GLN 50 -5.869 -7.595 -12.423 377 H SER 51 H SER 51 0.436 -9.328 -7.447 378 HA SER 51 HA SER 51 0.707 -11.361 -9.518 379 1HB SER 51 2HB SER 51 2.188 -9.136 -9.606 380 2HB SER 51 1HB SER 51 3.139 -9.973 -8.397 381 HG SER 51 HG SER 51 2.914 -11.856 -10.108 382 H GLN 52 H GLN 52 2.200 -10.184 -6.407 383 HA GLN 52 HA GLN 52 2.807 -12.881 -5.695 384 1HB GLN 52 2HB GLN 52 3.162 -10.243 -4.208 385 2HB GLN 52 1HB GLN 52 3.719 -11.788 -3.598 386 1HG GLN 52 2HG GLN 52 4.538 -11.021 -6.395 387 2HG GLN 52 1HG GLN 52 5.305 -10.174 -5.066 388 1HE2 GLN 52 1HE2 GLN 52 6.940 -11.080 -4.045 389 2HE2 GLN 52 2HE2 GLN 52 7.464 -12.726 -4.184 390 H PHE 53 H PHE 53 0.203 -10.590 -5.240 391 HA PHE 53 HA PHE 53 -0.957 -12.401 -3.240 392 1HB PHE 53 2HB PHE 53 -1.606 -9.433 -3.606 393 2HB PHE 53 1HB PHE 53 -1.896 -10.417 -2.185 394 HD1 PHE 53 1HD PHE 53 -0.443 -10.237 -0.396 395 HD2 PHE 53 2HD PHE 53 0.936 -9.148 -4.259 396 HE1 PHE 53 1HE PHE 53 1.715 -9.431 0.602 397 HE2 PHE 53 2HE PHE 53 3.093 -8.342 -3.261 398 HZ PHE 53 HZ PHE 53 3.457 -8.493 -0.843 399 H GLY 54 H GLY 54 -1.070 -11.322 -6.423 400 1HA GLY 54 2HA GLY 54 -2.725 -11.068 -7.965 401 2HA GLY 54 1HA GLY 54 -3.218 -12.615 -7.306 402 H VAL 55 H VAL 55 -3.331 -9.236 -5.963 403 HA VAL 55 HA VAL 55 -5.996 -9.730 -5.007 404 HB VAL 55 HB VAL 55 -4.064 -8.438 -3.887 405 1HG1 VAL 55 1HG1 VAL 55 -3.448 -6.919 -5.629 406 2HG1 VAL 55 2HG1 VAL 55 -5.122 -6.340 -5.803 407 3HG1 VAL 55 3HG1 VAL 55 -4.197 -5.956 -4.332 408 1HG2 VAL 55 1HG2 VAL 55 -5.636 -7.787 -2.431 409 2HG2 VAL 55 2HG2 VAL 55 -6.374 -6.673 -3.607 410 3HG2 VAL 55 3HG2 VAL 55 -6.832 -8.393 -3.602 411 H ASP 56 H ASP 56 -7.792 -8.146 -5.480 412 HA ASP 56 HA ASP 56 -7.575 -7.279 -8.256 413 1HB ASP 56 2HB ASP 56 -10.254 -7.599 -7.966 414 2HB ASP 56 1HB ASP 56 -9.203 -8.875 -8.546 415 H ALA 57 H ALA 57 -7.221 -5.038 -7.870 416 HA ALA 57 HA ALA 57 -9.275 -3.711 -6.237 417 1HB ALA 57 1HB ALA 57 -7.194 -1.980 -6.130 418 2HB ALA 57 2HB ALA 57 -7.453 -3.267 -4.926 419 3HB ALA 57 3HB ALA 57 -6.300 -3.513 -6.259 420 HA PRO 58 HA PRO 58 -10.057 -1.617 -9.959 421 1HB PRO 58 2HB PRO 58 -11.830 0.245 -9.033 422 2HB PRO 58 1HB PRO 58 -12.290 -1.395 -9.441 423 1HG PRO 58 2HG PRO 58 -11.939 -0.181 -6.770 424 2HG PRO 58 1HG PRO 58 -12.790 -1.650 -7.204 425 1HD PRO 58 2HD PRO 58 -10.198 -1.463 -5.988 426 2HD PRO 58 1HD PRO 58 -10.999 -2.925 -6.529 427 H VAL 59 H VAL 59 -9.534 0.214 -11.201 428 HA VAL 59 HA VAL 59 -7.839 2.044 -9.645 429 HB VAL 59 HB VAL 59 -7.584 1.325 -12.567 430 1HG1 VAL 59 1HG1 VAL 59 -5.654 2.584 -12.611 431 2HG1 VAL 59 2HG1 VAL 59 -6.624 3.519 -11.448 432 3HG1 VAL 59 3HG1 VAL 59 -5.364 2.405 -10.865 433 1HG2 VAL 59 1HG2 VAL 59 -7.250 -0.619 -10.929 434 2HG2 VAL 59 2HG2 VAL 59 -5.917 -0.264 -12.055 435 3HG2 VAL 59 3HG2 VAL 59 -5.813 0.262 -10.357 436 H SER 60 H SER 60 -10.616 1.610 -11.721 437 HA SER 60 HA SER 60 -10.876 3.834 -13.108 438 1HB SER 60 2HB SER 60 -13.382 3.764 -12.389 439 2HB SER 60 1HB SER 60 -12.704 2.357 -13.183 440 HG SER 60 HG SER 60 -13.988 2.270 -10.947 441 H GLU 61 H GLU 61 -11.252 3.541 -9.535 442 HA GLU 61 HA GLU 61 -10.364 6.060 -9.014 443 1HB GLU 61 2HB GLU 61 -12.902 6.293 -10.125 444 2HB GLU 61 1HB GLU 61 -13.251 6.313 -8.407 445 1HG GLU 61 2HG GLU 61 -11.928 8.249 -8.023 446 2HG GLU 61 1HG GLU 61 -11.000 8.029 -9.494 447 H PHE 62 H PHE 62 -9.626 3.888 -7.789 448 HA PHE 62 HA PHE 62 -11.186 2.783 -5.816 449 1HB PHE 62 2HB PHE 62 -8.807 2.439 -4.759 450 2HB PHE 62 1HB PHE 62 -9.040 1.820 -6.382 451 HD1 PHE 62 1HD PHE 62 -8.153 5.135 -4.885 452 HD2 PHE 62 2HD PHE 62 -7.239 2.154 -7.764 453 HE1 PHE 62 1HE PHE 62 -6.208 6.504 -5.686 454 HE2 PHE 62 2HE PHE 62 -5.294 3.523 -8.564 455 HZ PHE 62 HZ PHE 62 -4.802 5.682 -7.516 456 H ASP 63 H ASP 63 -10.686 3.000 -3.351 457 HA ASP 63 HA ASP 63 -11.195 5.744 -2.725 458 1HB ASP 63 2HB ASP 63 -12.124 3.378 -1.707 459 2HB ASP 63 1HB ASP 63 -10.837 3.698 -0.563 460 H ARG 64 H ARG 64 -9.180 6.872 -2.882 461 HA ARG 64 HA ARG 64 -6.737 5.942 -2.336 462 1HB ARG 64 2HB ARG 64 -8.020 8.663 -2.141 463 2HB ARG 64 1HB ARG 64 -6.411 8.500 -1.468 464 1HG ARG 64 2HG ARG 64 -5.599 7.562 -3.646 465 2HG ARG 64 1HG ARG 64 -7.208 7.731 -4.318 466 1HD ARG 64 2HD ARG 64 -5.632 9.638 -4.901 467 2HD ARG 64 1HD ARG 64 -7.129 10.152 -4.149 468 HE ARG 64 HE ARG 64 -5.038 9.676 -2.178 469 1HH1 ARG 64 2HH2 ARG 64 -6.274 12.025 -4.488 470 2HH1 ARG 64 1HH2 ARG 64 -5.594 13.387 -3.661 471 1HH2 ARG 64 2HH1 ARG 64 -4.142 11.472 -1.086 472 2HH2 ARG 64 1HH1 ARG 64 -4.373 13.070 -1.713 473 H LYS 65 H LYS 65 -9.321 6.642 -0.060 474 HA LYS 65 HA LYS 65 -7.788 7.121 2.232 475 1HB LYS 65 2HB LYS 65 -10.018 7.746 2.394 476 2HB LYS 65 1HB LYS 65 -10.609 6.262 1.674 477 1HG LYS 65 2HG LYS 65 -10.667 5.170 3.681 478 2HG LYS 65 1HG LYS 65 -9.087 5.765 4.154 479 1HD LYS 65 2HD LYS 65 -11.103 7.915 4.118 480 2HD LYS 65 1HD LYS 65 -11.566 6.608 5.188 481 1HE LYS 65 2HE LYS 65 -10.005 7.213 6.726 482 2HE LYS 65 1HE LYS 65 -8.727 7.185 5.528 483 1HZ LYS 65 1HZ LYS 65 -10.557 9.414 6.076 484 2HZ LYS 65 2HZ LYS 65 -8.947 9.370 6.349 485 3HZ LYS 65 3HZ LYS 65 -9.514 9.393 4.818 486 H GLU 66 H GLU 66 -8.758 4.151 0.512 487 HA GLU 66 HA GLU 66 -7.791 2.534 2.674 488 1HB GLU 66 2HB GLU 66 -9.747 1.730 1.488 489 2HB GLU 66 1HB GLU 66 -8.951 1.886 -0.066 490 1HG GLU 66 2HG GLU 66 -7.424 0.071 0.422 491 2HG GLU 66 1HG GLU 66 -7.870 0.055 2.117 492 H TRP 67 H TRP 67 -6.644 3.958 -0.327 493 HA TRP 67 HA TRP 67 -4.254 2.255 -0.209 494 1HB TRP 67 2HB TRP 67 -5.138 3.980 -2.520 495 2HB TRP 67 1HB TRP 67 -3.885 2.754 -2.505 496 HD1 TRP 67 HD TRP 67 -7.605 3.145 -3.058 497 HE1 TRP 67 1HE TRP 67 -8.777 0.855 -3.650 498 HE3 TRP 67 3HE TRP 67 -3.631 0.201 -1.876 499 HZ2 TRP 67 2HZ TRP 67 -7.929 -1.868 -3.560 500 HZ3 TRP 67 3HZ TRP 67 -3.887 -2.263 -2.156 501 HH2 TRP 67 HH TRP 67 -5.944 -3.305 -2.966 502 H ASP 68 H ASP 68 -4.990 4.546 1.599 503 HA ASP 68 HA ASP 68 -3.145 6.570 0.668 504 1HB ASP 68 2HB ASP 68 -4.989 7.700 1.513 505 2HB ASP 68 1HB ASP 68 -5.386 6.424 2.646 506 H THR 69 H THR 69 -3.800 4.210 3.318 507 HA THR 69 HA THR 69 -1.086 4.719 4.352 508 HB THR 69 HB THR 69 -2.190 3.670 6.484 509 HG1 THR 69 1HG THR 69 -4.368 3.311 6.207 510 1HG2 THR 69 1HG2 THR 69 -3.754 6.141 5.935 511 2HG2 THR 69 2HG2 THR 69 -2.612 5.799 7.258 512 3HG2 THR 69 3HG2 THR 69 -2.003 6.325 5.670 513 HA PRO 70 HA PRO 70 -0.065 0.642 3.498 514 1HB PRO 70 2HB PRO 70 1.655 -0.014 5.518 515 2HB PRO 70 1HB PRO 70 2.126 0.956 4.135 516 1HG PRO 70 2HG PRO 70 1.590 1.821 6.911 517 2HG PRO 70 1HG PRO 70 2.454 2.669 5.644 518 1HD PRO 70 2HD PRO 70 -0.218 3.192 6.546 519 2HD PRO 70 1HD PRO 70 0.604 3.961 5.203 520 H ASN 71 H ASN 71 -1.554 1.303 6.508 521 HA ASN 71 HA ASN 71 -1.874 -1.409 7.199 522 1HB ASN 71 2HB ASN 71 -2.061 0.065 9.044 523 2HB ASN 71 1HB ASN 71 -2.999 1.240 8.143 524 1HD2 ASN 71 1HD2 ASN 71 -4.655 1.401 9.564 525 2HD2 ASN 71 2HD2 ASN 71 -5.802 0.143 9.888 526 H LYS 72 H LYS 72 -4.069 1.215 5.931 527 HA LYS 72 HA LYS 72 -6.340 -0.322 5.638 528 1HB LYS 72 2HB LYS 72 -5.382 2.291 4.830 529 2HB LYS 72 1HB LYS 72 -6.338 1.572 3.551 530 1HG LYS 72 2HG LYS 72 -8.285 1.662 4.769 531 2HG LYS 72 1HG LYS 72 -7.496 1.189 6.261 532 1HD LYS 72 2HD LYS 72 -6.868 3.923 5.159 533 2HD LYS 72 1HD LYS 72 -8.449 3.684 5.876 534 1HE LYS 72 2HE LYS 72 -5.922 2.819 7.335 535 2HE LYS 72 1HE LYS 72 -6.498 4.471 7.430 536 1HZ LYS 72 1HZ LYS 72 -7.773 2.048 8.407 537 2HZ LYS 72 2HZ LYS 72 -7.556 3.476 9.165 538 3HZ LYS 72 3HZ LYS 72 -8.709 3.328 8.018 539 H ILE 73 H ILE 73 -3.408 -0.083 3.628 540 HA ILE 73 HA ILE 73 -4.599 -1.506 1.447 541 HB ILE 73 HB ILE 73 -1.797 -0.612 2.100 542 1HG1 ILE 73 2HG1 ILE 73 -3.872 0.324 0.099 543 2HG1 ILE 73 1HG1 ILE 73 -3.321 1.183 1.522 544 1HG2 ILE 73 1HG2 ILE 73 -0.932 -1.960 0.567 545 2HG2 ILE 73 2HG2 ILE 73 -2.516 -2.754 0.396 546 3HG2 ILE 73 3HG2 ILE 73 -2.095 -1.378 -0.650 547 1HD1 ILE 73 1HD1 ILE 73 -0.937 1.020 0.497 548 2HD1 ILE 73 2HD1 ILE 73 -1.764 0.564 -1.012 549 3HD1 ILE 73 3HD1 ILE 73 -2.083 2.149 -0.267 550 H ILE 74 H ILE 74 -2.183 -2.240 4.051 551 HA ILE 74 HA ILE 74 -1.668 -4.839 3.384 552 HB ILE 74 HB ILE 74 -1.570 -3.189 5.825 553 1HG1 ILE 74 2HG1 ILE 74 0.382 -5.109 4.518 554 2HG1 ILE 74 1HG1 ILE 74 0.299 -3.382 4.226 555 1HG2 ILE 74 1HG2 ILE 74 -2.538 -4.923 7.002 556 2HG2 ILE 74 2HG2 ILE 74 -1.868 -6.174 5.928 557 3HG2 ILE 74 3HG2 ILE 74 -0.809 -5.338 7.089 558 1HD1 ILE 74 1HD1 ILE 74 0.394 -3.692 7.062 559 2HD1 ILE 74 2HD1 ILE 74 1.621 -4.791 6.385 560 3HD1 ILE 74 3HD1 ILE 74 1.669 -3.054 5.995 561 H ALA 75 H ALA 75 -4.638 -3.408 4.583 562 HA ALA 75 HA ALA 75 -5.706 -5.933 5.472 563 1HB ALA 75 1HB ALA 75 -7.812 -4.447 5.656 564 2HB ALA 75 2HB ALA 75 -6.432 -4.046 6.706 565 3HB ALA 75 3HB ALA 75 -6.737 -3.093 5.234 566 H LYS 76 H LYS 76 -5.777 -3.800 2.602 567 HA LYS 76 HA LYS 76 -7.930 -5.116 1.342 568 1HB LYS 76 2HB LYS 76 -6.938 -2.777 0.907 569 2HB LYS 76 1HB LYS 76 -5.729 -3.597 -0.060 570 1HG LYS 76 2HG LYS 76 -7.674 -2.831 -1.433 571 2HG LYS 76 1HG LYS 76 -7.453 -4.567 -1.512 572 1HD LYS 76 2HD LYS 76 -9.323 -5.008 -0.117 573 2HD LYS 76 1HD LYS 76 -9.312 -3.398 0.577 574 1HE LYS 76 2HE LYS 76 -10.776 -2.675 -0.996 575 2HE LYS 76 1HE LYS 76 -9.660 -3.115 -2.273 576 1HZ LYS 76 1HZ LYS 76 -10.532 -5.311 -2.265 577 2HZ LYS 76 2HZ LYS 76 -11.473 -5.020 -0.963 578 3HZ LYS 76 3HZ LYS 76 -11.790 -4.277 -2.382 579 H VAL 77 H VAL 77 -4.436 -5.716 1.605 580 HA VAL 77 HA VAL 77 -4.455 -7.653 -0.512 581 HB VAL 77 HB VAL 77 -2.414 -6.914 1.593 582 1HG1 VAL 77 1HG1 VAL 77 -2.170 -8.722 -0.833 583 2HG1 VAL 77 2HG1 VAL 77 -0.795 -8.111 0.119 584 3HG1 VAL 77 3HG1 VAL 77 -1.995 -9.183 0.878 585 1HG2 VAL 77 1HG2 VAL 77 -3.200 -5.273 -0.325 586 2HG2 VAL 77 2HG2 VAL 77 -1.478 -5.439 0.093 587 3HG2 VAL 77 3HG2 VAL 77 -2.134 -6.289 -1.326 588 H GLU 78 H GLU 78 -5.017 -7.540 2.976 589 HA GLU 78 HA GLU 78 -4.664 -10.359 3.254 590 1HB GLU 78 2HB GLU 78 -5.617 -8.156 5.119 591 2HB GLU 78 1HB GLU 78 -5.649 -9.841 5.596 592 1HG GLU 78 2HG GLU 78 -3.099 -8.661 4.459 593 2HG GLU 78 1HG GLU 78 -3.520 -8.355 6.133 594 H GLN 79 H GLN 79 -7.247 -8.079 2.507 595 HA GLN 79 HA GLN 79 -9.262 -10.053 3.093 596 1HB GLN 79 2HB GLN 79 -9.230 -7.281 3.201 597 2HB GLN 79 1HB GLN 79 -10.086 -7.568 1.699 598 1HG GLN 79 2HG GLN 79 -11.551 -9.248 2.999 599 2HG GLN 79 1HG GLN 79 -10.807 -8.637 4.463 600 1HE2 GLN 79 1HE2 GLN 79 -10.783 -6.202 4.663 601 2HE2 GLN 79 2HE2 GLN 79 -12.233 -5.350 4.251 602 H ALA 80 H ALA 80 -7.135 -10.355 0.915 603 HA ALA 80 HA ALA 80 -9.009 -10.671 -1.330 604 1HB ALA 80 1HB ALA 80 -6.028 -10.045 -1.401 605 2HB ALA 80 2HB ALA 80 -7.082 -10.278 -2.816 606 3HB ALA 80 3HB ALA 80 -7.341 -8.889 -1.734 607 H GLN 81 H GLN 81 -6.032 -11.892 0.333 608 HA GLN 81 HA GLN 81 -5.586 -14.136 -1.029 609 1HB GLN 81 2HB GLN 81 -5.558 -13.807 2.003 610 2HB GLN 81 1HB GLN 81 -4.779 -15.124 1.148 611 1HG GLN 81 2HG GLN 81 -4.106 -12.158 1.018 612 2HG GLN 81 1HG GLN 81 -3.069 -13.474 1.535 613 1HE2 GLN 81 1HE2 GLN 81 -4.162 -11.560 -1.045 614 2HE2 GLN 81 2HE2 GLN 81 -3.342 -12.340 -2.355 Start of MODEL 25 1 H ALA 2 H ALA 2 0.864 -19.503 10.772 2 HA ALA 2 HA ALA 2 3.463 -18.281 10.319 3 1HB ALA 2 1HB ALA 2 3.860 -20.069 8.958 4 2HB ALA 2 2HB ALA 2 2.516 -20.794 9.872 5 3HB ALA 2 3HB ALA 2 2.214 -20.054 8.282 6 H ASP 3 H ASP 3 3.224 -18.311 7.399 7 HA ASP 3 HA ASP 3 2.629 -17.046 5.740 8 1HB ASP 3 2HB ASP 3 0.149 -16.292 7.359 9 2HB ASP 3 1HB ASP 3 0.358 -16.048 5.636 10 H GLU 4 H GLU 4 4.332 -15.484 6.039 11 HA GLU 4 HA GLU 4 3.393 -12.956 7.056 12 1HB GLU 4 2HB GLU 4 4.799 -14.482 8.804 13 2HB GLU 4 1HB GLU 4 6.144 -13.736 7.964 14 1HG GLU 4 2HG GLU 4 5.180 -11.474 8.416 15 2HG GLU 4 1HG GLU 4 3.820 -12.212 9.237 16 H ALA 5 H ALA 5 4.252 -14.439 4.462 17 HA ALA 5 HA ALA 5 6.600 -12.924 3.700 18 1HB ALA 5 1HB ALA 5 6.399 -15.271 3.025 19 2HB ALA 5 2HB ALA 5 4.851 -14.928 2.217 20 3HB ALA 5 3HB ALA 5 6.358 -14.220 1.589 21 H ILE 6 H ILE 6 3.155 -12.591 3.753 22 HA ILE 6 HA ILE 6 3.144 -10.788 1.476 23 HB ILE 6 HB ILE 6 1.111 -12.181 3.138 24 1HG1 ILE 6 2HG1 ILE 6 1.259 -11.622 0.163 25 2HG1 ILE 6 1HG1 ILE 6 1.971 -13.027 0.935 26 1HG2 ILE 6 1HG2 ILE 6 -0.495 -10.522 1.711 27 2HG2 ILE 6 2HG2 ILE 6 -0.069 -10.290 3.425 28 3HG2 ILE 6 3HG2 ILE 6 0.823 -9.411 2.159 29 1HD1 ILE 6 1HD1 ILE 6 -0.057 -14.006 0.559 30 2HD1 ILE 6 2HD1 ILE 6 -0.593 -13.078 1.980 31 3HD1 ILE 6 3HD1 ILE 6 -0.872 -12.439 0.342 32 H LYS 7 H LYS 7 2.456 -10.752 5.038 33 HA LYS 7 HA LYS 7 1.980 -8.028 5.217 34 1HB LYS 7 2HB LYS 7 1.893 -10.151 6.922 35 2HB LYS 7 1HB LYS 7 3.321 -9.328 7.517 36 1HG LYS 7 2HG LYS 7 0.762 -7.787 6.949 37 2HG LYS 7 1HG LYS 7 0.985 -8.624 8.473 38 1HD LYS 7 2HD LYS 7 3.338 -7.001 7.711 39 2HD LYS 7 1HD LYS 7 1.882 -6.041 7.876 40 1HE LYS 7 2HE LYS 7 1.880 -6.251 10.145 41 2HE LYS 7 1HE LYS 7 2.095 -7.989 10.059 42 1HZ LYS 7 1HZ LYS 7 4.012 -7.198 11.036 43 2HZ LYS 7 2HZ LYS 7 4.477 -7.430 9.488 44 3HZ LYS 7 3HZ LYS 7 4.159 -5.921 10.028 45 H ASN 8 H ASN 8 5.009 -9.896 5.022 46 HA ASN 8 HA ASN 8 6.605 -7.692 5.790 47 1HB ASN 8 2HB ASN 8 7.069 -10.356 5.712 48 2HB ASN 8 1HB ASN 8 7.692 -9.971 4.120 49 1HD2 ASN 8 1HD2 ASN 8 9.397 -10.986 5.881 50 2HD2 ASN 8 2HD2 ASN 8 10.521 -9.811 6.474 51 H GLY 9 H GLY 9 6.081 -9.541 2.685 52 1HA GLY 9 2HA GLY 9 7.528 -7.958 0.963 53 2HA GLY 9 1HA GLY 9 6.108 -8.892 0.532 54 H VAL 10 H VAL 10 4.063 -7.610 1.997 55 HA VAL 10 HA VAL 10 3.416 -5.507 0.331 56 HB VAL 10 HB VAL 10 2.448 -6.550 2.958 57 1HG1 VAL 10 1HG1 VAL 10 0.561 -4.838 2.803 58 2HG1 VAL 10 2HG1 VAL 10 2.135 -4.239 3.381 59 3HG1 VAL 10 3HG1 VAL 10 1.621 -3.920 1.706 60 1HG2 VAL 10 1HG2 VAL 10 1.578 -7.800 1.212 61 2HG2 VAL 10 2HG2 VAL 10 0.296 -6.590 1.457 62 3HG2 VAL 10 3HG2 VAL 10 1.458 -6.398 0.123 63 H LEU 11 H LEU 11 4.964 -5.525 3.592 64 HA LEU 11 HA LEU 11 5.033 -2.689 3.747 65 1HB LEU 11 2HB LEU 11 5.112 -4.564 5.582 66 2HB LEU 11 1HB LEU 11 6.842 -4.491 5.307 67 HG LEU 11 HG LEU 11 6.987 -2.248 6.046 68 1HD1 LEU 11 1HD1 LEU 11 4.778 -1.062 6.769 69 2HD1 LEU 11 2HD1 LEU 11 5.277 -1.052 5.060 70 3HD1 LEU 11 3HD1 LEU 11 4.018 -2.183 5.613 71 1HD2 LEU 11 1HD2 LEU 11 5.372 -2.486 8.237 72 2HD2 LEU 11 2HD2 LEU 11 5.512 -4.179 7.704 73 3HD2 LEU 11 3HD2 LEU 11 6.977 -3.233 8.058 74 H ASP 12 H ASP 12 7.411 -5.274 2.877 75 HA ASP 12 HA ASP 12 9.568 -3.630 2.550 76 1HB ASP 12 2HB ASP 12 9.086 -6.303 2.261 77 2HB ASP 12 1HB ASP 12 9.189 -5.853 0.570 78 H ILE 13 H ILE 13 6.776 -4.384 0.429 79 HA ILE 13 HA ILE 13 7.933 -3.060 -1.846 80 HB ILE 13 HB ILE 13 5.476 -4.602 -1.229 81 1HG1 ILE 13 2HG1 ILE 13 6.778 -4.768 -3.869 82 2HG1 ILE 13 1HG1 ILE 13 7.843 -5.123 -2.523 83 1HG2 ILE 13 1HG2 ILE 13 4.628 -3.849 -3.567 84 2HG2 ILE 13 2HG2 ILE 13 4.279 -2.844 -2.140 85 3HG2 ILE 13 3HG2 ILE 13 5.591 -2.385 -3.253 86 1HD1 ILE 13 1HD1 ILE 13 5.664 -6.542 -1.720 87 2HD1 ILE 13 2HD1 ILE 13 5.430 -6.610 -3.483 88 3HD1 ILE 13 3HD1 ILE 13 6.935 -7.228 -2.760 89 H LEU 14 H LEU 14 5.959 -2.270 0.962 90 HA LEU 14 HA LEU 14 4.903 0.127 -0.197 91 1HB LEU 14 2HB LEU 14 4.691 -1.360 2.338 92 2HB LEU 14 1HB LEU 14 4.558 0.381 2.490 93 HG LEU 14 HG LEU 14 2.655 0.464 1.048 94 1HD1 LEU 14 1HD1 LEU 14 2.322 -2.405 0.546 95 2HD1 LEU 14 2HD1 LEU 14 2.135 -1.012 -0.547 96 3HD1 LEU 14 3HD1 LEU 14 3.750 -1.699 -0.249 97 1HD2 LEU 14 1HD2 LEU 14 1.254 -1.522 2.222 98 2HD2 LEU 14 2HD2 LEU 14 2.672 -1.465 3.296 99 3HD2 LEU 14 3HD2 LEU 14 1.694 -0.001 3.036 100 H ALA 15 H ALA 15 7.400 -0.676 2.313 101 HA ALA 15 HA ALA 15 8.220 1.957 2.711 102 1HB ALA 15 1HB ALA 15 8.791 -0.563 3.739 103 2HB ALA 15 2HB ALA 15 10.324 -0.077 2.977 104 3HB ALA 15 3HB ALA 15 9.578 0.960 4.215 105 H ASP 16 H ASP 16 8.834 -0.368 0.123 106 HA ASP 16 HA ASP 16 11.155 0.962 -0.799 107 1HB ASP 16 2HB ASP 16 9.442 -1.329 -1.614 108 2HB ASP 16 1HB ASP 16 10.159 -0.474 -2.965 109 H LEU 17 H LEU 17 7.630 0.842 -1.592 110 HA LEU 17 HA LEU 17 7.682 2.320 -3.932 111 1HB LEU 17 2HB LEU 17 5.775 1.203 -2.173 112 2HB LEU 17 1HB LEU 17 5.332 2.886 -2.380 113 HG LEU 17 HG LEU 17 5.863 2.083 -4.975 114 1HD1 LEU 17 1HD1 LEU 17 4.494 0.000 -5.244 115 2HD1 LEU 17 2HD1 LEU 17 6.070 -0.236 -4.451 116 3HD1 LEU 17 3HD1 LEU 17 4.579 -0.214 -3.479 117 1HD2 LEU 17 1HD2 LEU 17 3.265 2.251 -3.435 118 2HD2 LEU 17 2HD2 LEU 17 4.046 3.513 -4.417 119 3HD2 LEU 17 3HD2 LEU 17 3.359 2.072 -5.204 120 H THR 18 H THR 18 7.443 3.383 -0.484 121 HA THR 18 HA THR 18 7.240 6.132 -1.137 122 HB THR 18 HB THR 18 7.637 6.374 1.322 123 HG1 THR 18 1HG THR 18 7.880 3.491 1.372 124 1HG2 THR 18 1HG2 THR 18 5.872 4.863 2.176 125 2HG2 THR 18 2HG2 THR 18 5.368 5.522 0.602 126 3HG2 THR 18 3HG2 THR 18 5.994 3.860 0.711 127 H GLY 19 H GLY 19 10.002 3.961 -0.344 128 1HA GLY 19 2HA GLY 19 12.076 4.348 -1.461 129 2HA GLY 19 1HA GLY 19 11.774 6.073 -1.400 130 H SER 20 H SER 20 10.629 4.904 1.523 131 HA SER 20 HA SER 20 13.211 4.780 2.788 132 1HB SER 20 2HB SER 20 12.135 7.253 2.611 133 2HB SER 20 1HB SER 20 11.264 6.705 4.029 134 HG SER 20 HG SER 20 13.025 7.139 5.152 135 H ASP 21 H ASP 21 12.961 4.167 5.176 136 HA ASP 21 HA ASP 21 10.786 2.306 5.344 137 1HB ASP 21 2HB ASP 21 12.098 1.958 7.685 138 2HB ASP 21 1HB ASP 21 12.632 1.221 6.188 139 H ASP 22 H ASP 22 9.441 4.566 5.435 140 HA ASP 22 HA ASP 22 9.424 5.564 8.151 141 1HB ASP 22 2HB ASP 22 9.198 6.840 5.712 142 2HB ASP 22 1HB ASP 22 7.508 6.654 6.138 143 H VAL 23 H VAL 23 7.339 4.106 5.570 144 HA VAL 23 HA VAL 23 5.085 3.911 7.352 145 HB VAL 23 HB VAL 23 3.942 3.006 5.460 146 1HG1 VAL 23 1HG1 VAL 23 4.515 4.780 3.696 147 2HG1 VAL 23 2HG1 VAL 23 4.062 5.356 5.318 148 3HG1 VAL 23 3HG1 VAL 23 5.774 5.328 4.830 149 1HG2 VAL 23 1HG2 VAL 23 5.957 3.069 3.411 150 2HG2 VAL 23 2HG2 VAL 23 6.492 1.998 4.728 151 3HG2 VAL 23 3HG2 VAL 23 4.925 1.716 3.931 152 H LYS 24 H LYS 24 7.961 2.126 6.661 153 HA LYS 24 HA LYS 24 7.015 -0.483 6.967 154 1HB LYS 24 2HB LYS 24 9.232 0.173 6.052 155 2HB LYS 24 1HB LYS 24 9.742 0.648 7.660 156 1HG LYS 24 2HG LYS 24 10.466 -1.509 7.859 157 2HG LYS 24 1HG LYS 24 8.782 -1.890 8.161 158 1HD LYS 24 2HD LYS 24 8.744 -3.167 6.291 159 2HD LYS 24 1HD LYS 24 9.056 -1.743 5.320 160 1HE LYS 24 2HE LYS 24 11.074 -2.631 4.782 161 2HE LYS 24 1HE LYS 24 11.572 -2.381 6.443 162 1HZ LYS 24 1HZ LYS 24 10.023 -4.747 5.717 163 2HZ LYS 24 2HZ LYS 24 11.641 -4.717 5.493 164 3HZ LYS 24 3HZ LYS 24 11.022 -4.531 6.992 165 H LYS 25 H LYS 25 7.451 2.163 9.230 166 HA LYS 25 HA LYS 25 7.176 0.284 11.460 167 1HB LYS 25 2HB LYS 25 9.100 1.881 11.472 168 2HB LYS 25 1HB LYS 25 7.962 3.212 11.511 169 1HG LYS 25 2HG LYS 25 7.623 1.031 13.565 170 2HG LYS 25 1HG LYS 25 8.972 2.131 13.767 171 1HD LYS 25 2HD LYS 25 6.524 3.597 13.083 172 2HD LYS 25 1HD LYS 25 6.276 2.595 14.500 173 1HE LYS 25 2HE LYS 25 8.700 3.630 15.160 174 2HE LYS 25 1HE LYS 25 8.138 4.926 14.122 175 1HZ LYS 25 1HZ LYS 25 7.215 4.165 16.702 176 2HZ LYS 25 2HZ LYS 25 7.064 5.592 15.923 177 3HZ LYS 25 3HZ LYS 25 5.992 4.392 15.642 178 H ASN 26 H ASN 26 6.068 3.676 10.784 179 HA ASN 26 HA ASN 26 3.850 3.491 12.358 180 1HB ASN 26 2HB ASN 26 4.945 5.327 10.381 181 2HB ASN 26 1HB ASN 26 3.216 5.199 10.125 182 1HD2 ASN 26 1HD2 ASN 26 4.194 7.557 10.886 183 2HD2 ASN 26 2HD2 ASN 26 3.792 7.941 12.526 184 H LEU 27 H LEU 27 1.673 2.807 11.970 185 HA LEU 27 HA LEU 27 1.259 1.469 9.390 186 1HB LEU 27 2HB LEU 27 0.064 0.886 12.102 187 2HB LEU 27 1HB LEU 27 -0.382 0.079 10.613 188 HG LEU 27 HG LEU 27 2.509 0.043 11.321 189 1HD1 LEU 27 1HD1 LEU 27 2.425 -1.265 13.160 190 2HD1 LEU 27 2HD1 LEU 27 0.878 -0.422 13.409 191 3HD1 LEU 27 3HD1 LEU 27 0.899 -2.045 12.679 192 1HD2 LEU 27 1HD2 LEU 27 2.571 -1.853 10.068 193 2HD2 LEU 27 2HD2 LEU 27 0.943 -2.375 10.565 194 3HD2 LEU 27 3HD2 LEU 27 1.132 -1.094 9.344 195 H ASP 28 H ASP 28 0.968 4.346 9.812 196 HA ASP 28 HA ASP 28 -1.670 4.547 8.822 197 1HB ASP 28 2HB ASP 28 -1.295 4.908 11.633 198 2HB ASP 28 1HB ASP 28 -1.490 6.517 10.967 199 H LEU 29 H LEU 29 1.162 5.081 8.055 200 HA LEU 29 HA LEU 29 1.355 7.980 8.139 201 1HB LEU 29 2HB LEU 29 3.304 6.580 8.677 202 2HB LEU 29 1HB LEU 29 3.250 5.884 7.069 203 HG LEU 29 HG LEU 29 3.438 8.431 6.326 204 1HD1 LEU 29 1HD1 LEU 29 3.891 8.541 9.183 205 2HD1 LEU 29 2HD1 LEU 29 5.325 9.097 8.286 206 3HD1 LEU 29 3HD1 LEU 29 3.743 9.860 7.998 207 1HD2 LEU 29 1HD2 LEU 29 5.225 7.449 5.443 208 2HD2 LEU 29 2HD2 LEU 29 6.104 7.846 6.939 209 3HD2 LEU 29 3HD2 LEU 29 5.309 6.263 6.768 210 H ASN 30 H ASN 30 -0.030 8.952 6.724 211 HA ASN 30 HA ASN 30 -1.221 8.011 4.594 212 1HB ASN 30 2HB ASN 30 0.161 10.733 4.459 213 2HB ASN 30 1HB ASN 30 -1.372 10.287 3.738 214 1HD2 ASN 30 1HD2 ASN 30 -2.715 8.999 5.652 215 2HD2 ASN 30 2HD2 ASN 30 -3.021 10.004 7.030 216 H LEU 31 H LEU 31 -0.634 7.197 2.559 217 HA LEU 31 HA LEU 31 2.186 7.256 1.893 218 1HB LEU 31 2HB LEU 31 -0.163 5.764 0.718 219 2HB LEU 31 1HB LEU 31 1.486 5.635 0.137 220 HG LEU 31 HG LEU 31 1.408 5.158 2.989 221 1HD1 LEU 31 1HD1 LEU 31 -0.767 4.372 2.961 222 2HD1 LEU 31 2HD1 LEU 31 -0.624 3.713 1.314 223 3HD1 LEU 31 3HD1 LEU 31 0.176 2.890 2.673 224 1HD2 LEU 31 1HD2 LEU 31 3.268 4.372 1.836 225 2HD2 LEU 31 2HD2 LEU 31 2.318 2.896 2.133 226 3HD2 LEU 31 3HD2 LEU 31 2.289 3.666 0.528 227 H PHE 32 H PHE 32 -0.748 8.960 1.183 228 HA PHE 32 HA PHE 32 0.429 9.967 -1.305 229 1HB PHE 32 2HB PHE 32 -2.338 9.583 -0.119 230 2HB PHE 32 1HB PHE 32 -2.135 10.944 -1.203 231 HD1 PHE 32 1HD PHE 32 -0.749 10.239 -3.443 232 HD2 PHE 32 2HD PHE 32 -3.141 7.655 -1.074 233 HE1 PHE 32 1HE PHE 32 -1.055 8.715 -5.414 234 HE2 PHE 32 2HE PHE 32 -3.447 6.131 -3.045 235 HZ PHE 32 HZ PHE 32 -2.400 6.680 -5.192 236 H GLU 33 H GLU 33 -1.128 10.922 1.815 237 HA GLU 33 HA GLU 33 -0.855 13.665 1.328 238 1HB GLU 33 2HB GLU 33 -2.202 12.142 3.163 239 2HB GLU 33 1HB GLU 33 -0.875 12.710 4.158 240 1HG GLU 33 2HG GLU 33 -1.473 14.984 3.905 241 2HG GLU 33 1HG GLU 33 -2.345 14.697 2.412 242 H THR 34 H THR 34 1.428 11.204 2.079 243 HA THR 34 HA THR 34 3.252 13.061 3.405 244 HB THR 34 HB THR 34 3.418 10.062 2.790 245 HG1 THR 34 1HG THR 34 2.791 10.016 5.071 246 1HG2 THR 34 1HG2 THR 34 5.199 10.031 4.475 247 2HG2 THR 34 2HG2 THR 34 5.653 11.218 3.229 248 3HG2 THR 34 3HG2 THR 34 4.990 11.771 4.785 249 H GLY 35 H GLY 35 2.428 11.949 0.249 250 1HA GLY 35 2HA GLY 35 3.317 12.620 -1.730 251 2HA GLY 35 1HA GLY 35 4.601 13.456 -0.880 252 H LEU 36 H LEU 36 4.583 10.446 0.535 253 HA LEU 36 HA LEU 36 6.988 9.615 -0.298 254 1HB LEU 36 2HB LEU 36 4.580 7.949 0.434 255 2HB LEU 36 1HB LEU 36 6.200 7.300 0.272 256 HG LEU 36 HG LEU 36 5.399 9.471 2.230 257 1HD1 LEU 36 1HD1 LEU 36 4.627 7.897 3.584 258 2HD1 LEU 36 2HD1 LEU 36 4.937 6.663 2.339 259 3HD1 LEU 36 3HD1 LEU 36 6.200 7.063 3.528 260 1HD2 LEU 36 1HD2 LEU 36 7.949 8.677 1.268 261 2HD2 LEU 36 2HD2 LEU 36 7.559 9.819 2.576 262 3HD2 LEU 36 3HD2 LEU 36 7.802 8.095 2.945 263 H LEU 37 H LEU 37 3.856 9.111 -1.987 264 HA LEU 37 HA LEU 37 5.414 8.413 -4.359 265 1HB LEU 37 2HB LEU 37 3.535 6.741 -4.865 266 2HB LEU 37 1HB LEU 37 4.825 6.280 -3.771 267 HG LEU 37 HG LEU 37 3.251 6.963 -1.864 268 1HD1 LEU 37 1HD1 LEU 37 0.775 6.540 -2.728 269 2HD1 LEU 37 2HD1 LEU 37 1.502 8.165 -2.694 270 3HD1 LEU 37 3HD1 LEU 37 1.442 7.249 -4.218 271 1HD2 LEU 37 1HD2 LEU 37 2.566 4.582 -3.611 272 2HD2 LEU 37 2HD2 LEU 37 3.814 4.650 -2.344 273 3HD2 LEU 37 3HD2 LEU 37 2.094 4.790 -1.907 274 H ASP 38 H ASP 38 3.475 8.216 -6.241 275 HA ASP 38 HA ASP 38 1.457 10.147 -5.868 276 1HB ASP 38 2HB ASP 38 3.665 10.854 -7.850 277 2HB ASP 38 1HB ASP 38 2.248 11.815 -7.478 278 H SER 39 H SER 39 -0.187 9.321 -7.171 279 HA SER 39 HA SER 39 -1.183 8.058 -8.645 280 1HB SER 39 2HB SER 39 0.606 9.872 -10.141 281 2HB SER 39 1HB SER 39 0.132 8.467 -11.077 282 HG SER 39 HG SER 39 -1.445 10.064 -11.403 283 H MET 40 H MET 40 1.926 7.847 -10.447 284 HA MET 40 HA MET 40 1.898 5.337 -11.149 285 1HB MET 40 2HB MET 40 4.152 7.087 -10.105 286 2HB MET 40 1HB MET 40 4.525 5.436 -10.559 287 1HG MET 40 2HG MET 40 2.858 6.784 -12.587 288 2HG MET 40 1HG MET 40 4.361 7.640 -12.301 289 1HE MET 40 1HE MET 40 2.517 4.622 -13.076 290 2HE MET 40 2HE MET 40 3.506 3.745 -14.268 291 3HE MET 40 3HE MET 40 3.695 3.404 -12.532 292 H GLY 41 H GLY 41 2.578 6.468 -7.819 293 1HA GLY 41 2HA GLY 41 3.618 4.196 -6.666 294 2HA GLY 41 1HA GLY 41 2.596 5.368 -5.858 295 H THR 42 H THR 42 0.170 5.120 -6.106 296 HA THR 42 HA THR 42 -0.706 2.671 -5.308 297 HB THR 42 HB THR 42 -1.856 5.188 -6.400 298 HG1 THR 42 1HG THR 42 -3.227 4.588 -4.477 299 1HG2 THR 42 1HG2 THR 42 -4.190 3.989 -6.287 300 2HG2 THR 42 2HG2 THR 42 -3.266 3.858 -7.803 301 3HG2 THR 42 3HG2 THR 42 -3.277 2.504 -6.647 302 H VAL 43 H VAL 43 0.179 3.660 -8.560 303 HA VAL 43 HA VAL 43 -1.279 1.565 -9.836 304 HB VAL 43 HB VAL 43 0.738 3.631 -10.607 305 1HG1 VAL 43 1HG1 VAL 43 0.332 1.026 -11.970 306 2HG1 VAL 43 2HG1 VAL 43 0.288 2.467 -13.013 307 3HG1 VAL 43 3HG1 VAL 43 1.719 2.141 -12.006 308 1HG2 VAL 43 1HG2 VAL 43 -1.453 4.444 -10.715 309 2HG2 VAL 43 2HG2 VAL 43 -1.104 3.976 -12.396 310 3HG2 VAL 43 3HG2 VAL 43 -2.094 2.916 -11.366 311 H GLN 44 H GLN 44 2.238 2.163 -9.129 312 HA GLN 44 HA GLN 44 3.042 -0.333 -10.009 313 1HB GLN 44 2HB GLN 44 4.452 1.772 -9.521 314 2HB GLN 44 1HB GLN 44 4.424 1.289 -7.837 315 1HG GLN 44 2HG GLN 44 5.819 -0.528 -8.181 316 2HG GLN 44 1HG GLN 44 5.181 -0.860 -9.778 317 1HE2 GLN 44 1HE2 GLN 44 7.049 -0.983 -10.876 318 2HE2 GLN 44 2HE2 GLN 44 8.154 0.327 -11.124 319 H LEU 45 H LEU 45 2.297 0.893 -6.674 320 HA LEU 45 HA LEU 45 2.894 -1.384 -5.272 321 1HB LEU 45 2HB LEU 45 2.358 0.068 -3.707 322 2HB LEU 45 1HB LEU 45 1.511 1.083 -4.857 323 HG LEU 45 HG LEU 45 -0.540 -0.257 -4.533 324 1HD1 LEU 45 1HD1 LEU 45 1.291 -2.063 -3.225 325 2HD1 LEU 45 2HD1 LEU 45 -0.041 -1.621 -2.130 326 3HD1 LEU 45 3HD1 LEU 45 -0.396 -2.320 -3.729 327 1HD2 LEU 45 1HD2 LEU 45 0.237 1.774 -3.078 328 2HD2 LEU 45 2HD2 LEU 45 -1.200 0.832 -2.615 329 3HD2 LEU 45 3HD2 LEU 45 0.351 0.554 -1.788 330 H LEU 46 H LEU 46 0.108 -0.653 -7.363 331 HA LEU 46 HA LEU 46 -1.410 -2.890 -6.460 332 1HB LEU 46 2HB LEU 46 -1.671 -0.694 -8.382 333 2HB LEU 46 1HB LEU 46 -2.395 -2.192 -8.931 334 HG LEU 46 HG LEU 46 -3.037 -0.694 -6.378 335 1HD1 LEU 46 1HD1 LEU 46 -4.973 0.031 -7.359 336 2HD1 LEU 46 2HD1 LEU 46 -3.895 0.002 -8.775 337 3HD1 LEU 46 3HD1 LEU 46 -5.042 -1.331 -8.502 338 1HD2 LEU 46 1HD2 LEU 46 -3.280 -3.483 -6.898 339 2HD2 LEU 46 2HD2 LEU 46 -3.847 -2.555 -5.489 340 3HD2 LEU 46 3HD2 LEU 46 -4.913 -2.777 -6.896 341 H LEU 47 H LEU 47 1.142 -2.289 -8.838 342 HA LEU 47 HA LEU 47 0.645 -4.607 -10.383 343 1HB LEU 47 2HB LEU 47 2.316 -2.352 -10.472 344 2HB LEU 47 1HB LEU 47 3.397 -3.730 -10.396 345 HG LEU 47 HG LEU 47 2.880 -2.996 -12.703 346 1HD1 LEU 47 1HD1 LEU 47 1.667 -5.714 -12.509 347 2HD1 LEU 47 2HD1 LEU 47 2.965 -5.104 -13.562 348 3HD1 LEU 47 3HD1 LEU 47 3.306 -5.474 -11.855 349 1HD2 LEU 47 1HD2 LEU 47 0.327 -2.631 -11.858 350 2HD2 LEU 47 2HD2 LEU 47 0.815 -2.771 -13.564 351 3HD2 LEU 47 3HD2 LEU 47 0.180 -4.192 -12.700 352 H GLU 48 H GLU 48 2.540 -3.867 -7.436 353 HA GLU 48 HA GLU 48 3.741 -6.451 -7.462 354 1HB GLU 48 2HB GLU 48 4.058 -3.944 -6.007 355 2HB GLU 48 1HB GLU 48 4.022 -5.289 -4.886 356 1HG GLU 48 2HG GLU 48 6.331 -4.675 -5.834 357 2HG GLU 48 1HG GLU 48 5.888 -6.368 -5.931 358 H LEU 49 H LEU 49 0.790 -4.973 -6.287 359 HA LEU 49 HA LEU 49 0.345 -7.038 -4.311 360 1HB LEU 49 2HB LEU 49 -1.048 -4.533 -5.170 361 2HB LEU 49 1HB LEU 49 -1.946 -5.755 -4.291 362 HG LEU 49 HG LEU 49 0.404 -4.113 -3.366 363 1HD1 LEU 49 1HD1 LEU 49 -2.197 -4.664 -1.937 364 2HD1 LEU 49 2HD1 LEU 49 -1.027 -3.350 -1.667 365 3HD1 LEU 49 3HD1 LEU 49 -2.025 -3.364 -3.140 366 1HD2 LEU 49 1HD2 LEU 49 -0.539 -6.754 -2.254 367 2HD2 LEU 49 2HD2 LEU 49 1.114 -6.231 -2.657 368 3HD2 LEU 49 3HD2 LEU 49 0.281 -5.539 -1.245 369 H GLN 50 H GLN 50 0.097 -6.705 -7.688 370 HA GLN 50 HA GLN 50 -2.039 -8.692 -7.722 371 1HB GLN 50 2HB GLN 50 -2.458 -6.458 -8.896 372 2HB GLN 50 1HB GLN 50 -1.195 -6.892 -10.030 373 1HG GLN 50 2HG GLN 50 -2.713 -9.189 -10.076 374 2HG GLN 50 1HG GLN 50 -3.954 -7.997 -9.750 375 1HE2 GLN 50 1HE2 GLN 50 -4.521 -6.502 -11.257 376 2HE2 GLN 50 2HE2 GLN 50 -3.968 -6.507 -12.899 377 H SER 51 H SER 51 1.074 -8.808 -7.406 378 HA SER 51 HA SER 51 1.475 -10.637 -9.644 379 1HB SER 51 2HB SER 51 3.091 -8.433 -8.687 380 2HB SER 51 1HB SER 51 3.993 -9.920 -8.475 381 HG SER 51 HG SER 51 2.679 -9.195 -10.951 382 H GLN 52 H GLN 52 2.542 -9.902 -6.240 383 HA GLN 52 HA GLN 52 3.091 -12.703 -5.874 384 1HB GLN 52 2HB GLN 52 3.502 -10.261 -4.099 385 2HB GLN 52 1HB GLN 52 3.877 -11.892 -3.577 386 1HG GLN 52 2HG GLN 52 4.998 -11.125 -6.239 387 2HG GLN 52 1HG GLN 52 5.655 -10.244 -4.874 388 1HE2 GLN 52 1HE2 GLN 52 7.282 -11.108 -3.840 389 2HE2 GLN 52 2HE2 GLN 52 7.744 -12.778 -3.815 390 H PHE 53 H PHE 53 0.548 -10.385 -5.338 391 HA PHE 53 HA PHE 53 -0.780 -12.317 -3.568 392 1HB PHE 53 2HB PHE 53 -1.425 -9.340 -3.782 393 2HB PHE 53 1HB PHE 53 -1.731 -10.407 -2.426 394 HD1 PHE 53 1HD PHE 53 -0.274 -10.414 -0.615 395 HD2 PHE 53 2HD PHE 53 1.073 -8.858 -4.326 396 HE1 PHE 53 1HE PHE 53 1.841 -9.627 0.483 397 HE2 PHE 53 2HE PHE 53 3.188 -8.070 -3.228 398 HZ PHE 53 HZ PHE 53 3.546 -8.464 -0.837 399 H GLY 54 H GLY 54 -0.674 -10.953 -6.665 400 1HA GLY 54 2HA GLY 54 -2.210 -10.604 -8.300 401 2HA GLY 54 1HA GLY 54 -2.760 -12.187 -7.787 402 H VAL 55 H VAL 55 -2.919 -9.152 -5.848 403 HA VAL 55 HA VAL 55 -5.610 -9.599 -5.178 404 HB VAL 55 HB VAL 55 -3.673 -8.255 -4.041 405 1HG1 VAL 55 1HG1 VAL 55 -3.945 -5.800 -4.339 406 2HG1 VAL 55 2HG1 VAL 55 -3.314 -6.616 -5.790 407 3HG1 VAL 55 3HG1 VAL 55 -5.021 -6.116 -5.722 408 1HG2 VAL 55 1HG2 VAL 55 -5.281 -8.018 -2.517 409 2HG2 VAL 55 2HG2 VAL 55 -5.973 -6.662 -3.440 410 3HG2 VAL 55 3HG2 VAL 55 -6.511 -8.327 -3.766 411 H ASP 56 H ASP 56 -7.390 -7.923 -5.599 412 HA ASP 56 HA ASP 56 -7.118 -6.859 -8.288 413 1HB ASP 56 2HB ASP 56 -8.366 -8.946 -8.524 414 2HB ASP 56 1HB ASP 56 -9.405 -8.538 -7.174 415 H ALA 57 H ALA 57 -7.350 -4.640 -7.923 416 HA ALA 57 HA ALA 57 -9.577 -3.823 -6.193 417 1HB ALA 57 1HB ALA 57 -7.943 -3.171 -4.748 418 2HB ALA 57 2HB ALA 57 -6.678 -3.206 -6.000 419 3HB ALA 57 3HB ALA 57 -7.763 -1.802 -5.871 420 HA PRO 58 HA PRO 58 -10.572 -1.195 -9.479 421 1HB PRO 58 2HB PRO 58 -11.716 0.959 -8.246 422 2HB PRO 58 1HB PRO 58 -12.557 -0.557 -8.504 423 1HG PRO 58 2HG PRO 58 -11.416 0.528 -6.001 424 2HG PRO 58 1HG PRO 58 -12.605 -0.744 -6.206 425 1HD PRO 58 2HD PRO 58 -9.826 -1.077 -5.576 426 2HD PRO 58 1HD PRO 58 -10.988 -2.349 -5.893 427 H VAL 59 H VAL 59 -10.534 1.247 -10.297 428 HA VAL 59 HA VAL 59 -8.130 2.524 -9.332 429 HB VAL 59 HB VAL 59 -8.299 1.819 -12.250 430 1HG1 VAL 59 1HG1 VAL 59 -6.791 3.600 -11.840 431 2HG1 VAL 59 2HG1 VAL 59 -6.122 2.807 -10.393 432 3HG1 VAL 59 3HG1 VAL 59 -5.779 2.145 -12.010 433 1HG2 VAL 59 1HG2 VAL 59 -6.915 0.208 -10.079 434 2HG2 VAL 59 2HG2 VAL 59 -8.300 -0.314 -11.067 435 3HG2 VAL 59 3HG2 VAL 59 -6.717 -0.035 -11.831 436 H SER 60 H SER 60 -10.788 2.364 -11.775 437 HA SER 60 HA SER 60 -10.830 4.779 -12.790 438 1HB SER 60 2HB SER 60 -13.399 4.675 -12.586 439 2HB SER 60 1HB SER 60 -12.608 3.318 -13.363 440 HG SER 60 HG SER 60 -14.027 3.425 -10.945 441 H GLU 61 H GLU 61 -11.497 3.964 -9.383 442 HA GLU 61 HA GLU 61 -10.859 6.436 -8.446 443 1HB GLU 61 2HB GLU 61 -13.344 6.640 -9.680 444 2HB GLU 61 1HB GLU 61 -13.786 6.383 -8.004 445 1HG GLU 61 2HG GLU 61 -12.425 8.285 -7.279 446 2HG GLU 61 1HG GLU 61 -11.735 8.467 -8.880 447 H PHE 62 H PHE 62 -9.950 4.289 -7.417 448 HA PHE 62 HA PHE 62 -11.597 2.808 -5.709 449 1HB PHE 62 2HB PHE 62 -9.197 2.392 -4.660 450 2HB PHE 62 1HB PHE 62 -9.463 1.891 -6.318 451 HD1 PHE 62 1HD PHE 62 -7.496 2.176 -7.486 452 HD2 PHE 62 2HD PHE 62 -8.742 5.240 -4.827 453 HE1 PHE 62 1HE PHE 62 -5.568 3.604 -8.226 454 HE2 PHE 62 2HE PHE 62 -6.813 6.667 -5.567 455 HZ PHE 62 HZ PHE 62 -5.250 5.832 -7.258 456 H ASP 63 H ASP 63 -10.743 2.688 -3.202 457 HA ASP 63 HA ASP 63 -11.573 5.223 -2.173 458 1HB ASP 63 2HB ASP 63 -11.877 2.563 -1.382 459 2HB ASP 63 1HB ASP 63 -10.673 3.148 -0.251 460 H ARG 64 H ARG 64 -9.736 6.633 -2.480 461 HA ARG 64 HA ARG 64 -7.141 5.978 -2.176 462 1HB ARG 64 2HB ARG 64 -8.750 8.474 -2.052 463 2HB ARG 64 1HB ARG 64 -7.227 8.593 -1.195 464 1HG ARG 64 2HG ARG 64 -6.067 7.682 -3.277 465 2HG ARG 64 1HG ARG 64 -7.604 7.780 -4.113 466 1HD ARG 64 2HD ARG 64 -5.988 9.797 -4.367 467 2HD ARG 64 1HD ARG 64 -7.664 10.159 -4.004 468 HE ARG 64 HE ARG 64 -7.036 10.576 -1.673 469 1HH1 ARG 64 2HH2 ARG 64 -4.339 10.115 -3.885 470 2HH1 ARG 64 1HH2 ARG 64 -3.188 10.885 -2.844 471 1HH2 ARG 64 2HH1 ARG 64 -5.518 11.594 -0.300 472 2HH2 ARG 64 1HH1 ARG 64 -3.863 11.732 -0.791 473 H LYS 65 H LYS 65 -9.565 6.833 0.329 474 HA LYS 65 HA LYS 65 -7.836 7.241 2.459 475 1HB LYS 65 2HB LYS 65 -9.997 7.918 2.871 476 2HB LYS 65 1HB LYS 65 -10.714 6.497 2.139 477 1HG LYS 65 2HG LYS 65 -10.587 5.261 4.079 478 2HG LYS 65 1HG LYS 65 -9.024 5.919 4.522 479 1HD LYS 65 2HD LYS 65 -11.344 7.822 4.615 480 2HD LYS 65 1HD LYS 65 -11.330 6.555 5.827 481 1HE LYS 65 2HE LYS 65 -8.670 7.483 5.807 482 2HE LYS 65 1HE LYS 65 -9.617 8.943 5.603 483 1HZ LYS 65 1HZ LYS 65 -9.160 7.845 7.939 484 2HZ LYS 65 2HZ LYS 65 -10.502 8.725 7.634 485 3HZ LYS 65 3HZ LYS 65 -10.569 7.094 7.594 486 H GLU 66 H GLU 66 -8.970 4.271 0.860 487 HA GLU 66 HA GLU 66 -7.940 2.644 2.974 488 1HB GLU 66 2HB GLU 66 -9.932 1.885 1.797 489 2HB GLU 66 1HB GLU 66 -9.128 1.996 0.245 490 1HG GLU 66 2HG GLU 66 -7.718 0.122 0.697 491 2HG GLU 66 1HG GLU 66 -7.992 0.214 2.425 492 H TRP 67 H TRP 67 -6.862 4.032 -0.082 493 HA TRP 67 HA TRP 67 -4.480 2.317 -0.013 494 1HB TRP 67 2HB TRP 67 -5.404 4.088 -2.274 495 2HB TRP 67 1HB TRP 67 -4.144 2.872 -2.309 496 HD1 TRP 67 HD TRP 67 -7.882 3.243 -2.759 497 HE1 TRP 67 1HE TRP 67 -9.048 0.958 -3.374 498 HE3 TRP 67 3HE TRP 67 -3.851 0.312 -1.754 499 HZ2 TRP 67 2HZ TRP 67 -8.174 -1.759 -3.371 500 HZ3 TRP 67 3HZ TRP 67 -4.092 -2.148 -2.085 501 HH2 TRP 67 HH TRP 67 -6.160 -3.189 -2.865 502 H ASP 68 H ASP 68 -5.203 4.642 1.808 503 HA ASP 68 HA ASP 68 -3.211 6.552 0.909 504 1HB ASP 68 2HB ASP 68 -4.920 7.927 1.574 505 2HB ASP 68 1HB ASP 68 -5.682 6.672 2.530 506 H THR 69 H THR 69 -4.068 4.117 3.349 507 HA THR 69 HA THR 69 -1.546 4.691 4.764 508 HB THR 69 HB THR 69 -2.972 3.408 6.644 509 HG1 THR 69 1HG THR 69 -5.256 4.009 6.232 510 1HG2 THR 69 1HG2 THR 69 -2.620 6.207 5.961 511 2HG2 THR 69 2HG2 THR 69 -4.284 5.963 6.541 512 3HG2 THR 69 3HG2 THR 69 -2.906 5.495 7.566 513 HA PRO 70 HA PRO 70 -0.305 0.685 3.871 514 1HB PRO 70 2HB PRO 70 1.237 0.020 6.027 515 2HB PRO 70 1HB PRO 70 1.802 1.048 4.724 516 1HG PRO 70 2HG PRO 70 0.973 1.807 7.460 517 2HG PRO 70 1HG PRO 70 1.924 2.723 6.307 518 1HD PRO 70 2HD PRO 70 -0.839 3.130 6.960 519 2HD PRO 70 1HD PRO 70 0.081 3.968 5.725 520 H ASN 71 H ASN 71 -1.809 1.096 6.981 521 HA ASN 71 HA ASN 71 -2.199 -1.622 7.427 522 1HB ASN 71 2HB ASN 71 -2.969 0.918 8.641 523 2HB ASN 71 1HB ASN 71 -4.362 -0.143 8.610 524 1HD2 ASN 71 1HD2 ASN 71 -3.059 0.715 10.929 525 2HD2 ASN 71 2HD2 ASN 71 -2.359 -0.644 11.742 526 H LYS 72 H LYS 72 -4.416 1.027 6.246 527 HA LYS 72 HA LYS 72 -6.629 -0.516 5.744 528 1HB LYS 72 2HB LYS 72 -5.640 2.136 5.038 529 2HB LYS 72 1HB LYS 72 -6.616 1.447 3.757 530 1HG LYS 72 2HG LYS 72 -8.546 1.398 5.048 531 2HG LYS 72 1HG LYS 72 -7.676 1.101 6.540 532 1HD LYS 72 2HD LYS 72 -7.156 3.755 5.263 533 2HD LYS 72 1HD LYS 72 -8.782 3.522 5.869 534 1HE LYS 72 2HE LYS 72 -6.298 2.950 7.548 535 2HE LYS 72 1HE LYS 72 -7.099 4.509 7.540 536 1HZ LYS 72 1HZ LYS 72 -8.456 3.667 9.035 537 2HZ LYS 72 2HZ LYS 72 -9.076 2.660 7.910 538 3HZ LYS 72 3HZ LYS 72 -7.854 2.158 8.870 539 H ILE 73 H ILE 73 -3.626 -0.108 3.855 540 HA ILE 73 HA ILE 73 -4.699 -1.486 1.584 541 HB ILE 73 HB ILE 73 -1.977 -0.471 2.364 542 1HG1 ILE 73 2HG1 ILE 73 -3.978 0.337 0.234 543 2HG1 ILE 73 1HG1 ILE 73 -3.600 1.218 1.701 544 1HG2 ILE 73 1HG2 ILE 73 -2.539 -2.615 0.549 545 2HG2 ILE 73 2HG2 ILE 73 -1.985 -1.197 -0.374 546 3HG2 ILE 73 3HG2 ILE 73 -0.982 -1.849 0.943 547 1HD1 ILE 73 1HD1 ILE 73 -2.354 1.573 -0.764 548 2HD1 ILE 73 2HD1 ILE 73 -1.714 2.127 0.802 549 3HD1 ILE 73 3HD1 ILE 73 -1.187 0.566 0.127 550 H ILE 74 H ILE 74 -2.281 -2.236 4.186 551 HA ILE 74 HA ILE 74 -1.676 -4.786 3.445 552 HB ILE 74 HB ILE 74 -1.678 -3.224 5.941 553 1HG1 ILE 74 2HG1 ILE 74 0.391 -5.112 4.795 554 2HG1 ILE 74 1HG1 ILE 74 0.204 -3.455 4.255 555 1HG2 ILE 74 1HG2 ILE 74 -1.033 -5.220 7.305 556 2HG2 ILE 74 2HG2 ILE 74 -2.754 -5.156 6.852 557 3HG2 ILE 74 3HG2 ILE 74 -1.646 -6.250 5.989 558 1HD1 ILE 74 1HD1 ILE 74 1.583 -2.866 5.957 559 2HD1 ILE 74 2HD1 ILE 74 0.234 -3.234 7.058 560 3HD1 ILE 74 3HD1 ILE 74 1.456 -4.478 6.702 561 H ALA 75 H ALA 75 -4.693 -3.515 4.778 562 HA ALA 75 HA ALA 75 -5.696 -6.087 5.528 563 1HB ALA 75 1HB ALA 75 -7.075 -4.739 6.674 564 2HB ALA 75 2HB ALA 75 -6.389 -3.318 5.850 565 3HB ALA 75 3HB ALA 75 -7.784 -4.170 5.144 566 H LYS 76 H LYS 76 -5.887 -3.882 2.697 567 HA LYS 76 HA LYS 76 -7.897 -5.318 1.361 568 1HB LYS 76 2HB LYS 76 -6.840 -2.907 1.013 569 2HB LYS 76 1HB LYS 76 -5.816 -3.758 -0.125 570 1HG LYS 76 2HG LYS 76 -7.778 -2.946 -1.324 571 2HG LYS 76 1HG LYS 76 -7.871 -4.694 -1.242 572 1HD LYS 76 2HD LYS 76 -9.548 -4.648 0.466 573 2HD LYS 76 1HD LYS 76 -9.213 -2.978 0.877 574 1HE LYS 76 2HE LYS 76 -11.078 -2.593 -0.425 575 2HE LYS 76 1HE LYS 76 -9.900 -2.614 -1.724 576 1HZ LYS 76 1HZ LYS 76 -10.355 -5.075 -1.802 577 2HZ LYS 76 2HZ LYS 76 -11.666 -4.786 -0.874 578 3HZ LYS 76 3HZ LYS 76 -11.542 -4.098 -2.350 579 H VAL 77 H VAL 77 -4.478 -5.886 1.905 580 HA VAL 77 HA VAL 77 -4.226 -7.671 -0.337 581 HB VAL 77 HB VAL 77 -2.477 -6.790 1.945 582 1HG1 VAL 77 1HG1 VAL 77 -2.007 -9.089 0.035 583 2HG1 VAL 77 2HG1 VAL 77 -0.671 -8.214 0.823 584 3HG1 VAL 77 3HG1 VAL 77 -1.879 -9.072 1.810 585 1HG2 VAL 77 1HG2 VAL 77 -1.071 -5.906 0.165 586 2HG2 VAL 77 2HG2 VAL 77 -2.133 -6.625 -1.069 587 3HG2 VAL 77 3HG2 VAL 77 -2.739 -5.313 -0.028 588 H GLU 78 H GLU 78 -4.817 -7.823 3.198 589 HA GLU 78 HA GLU 78 -4.651 -10.669 3.176 590 1HB GLU 78 2HB GLU 78 -5.492 -8.654 5.300 591 2HB GLU 78 1HB GLU 78 -5.475 -10.383 5.584 592 1HG GLU 78 2HG GLU 78 -2.972 -9.263 4.393 593 2HG GLU 78 1HG GLU 78 -3.323 -8.734 6.026 594 H GLN 79 H GLN 79 -7.079 -8.194 2.645 595 HA GLN 79 HA GLN 79 -9.209 -10.087 3.116 596 1HB GLN 79 2HB GLN 79 -9.084 -7.107 2.603 597 2HB GLN 79 1HB GLN 79 -10.595 -7.964 2.379 598 1HG GLN 79 2HG GLN 79 -10.652 -8.684 4.682 599 2HG GLN 79 1HG GLN 79 -8.976 -8.244 4.942 600 1HE2 GLN 79 1HE2 GLN 79 -9.230 -6.815 6.553 601 2HE2 GLN 79 2HE2 GLN 79 -10.057 -5.298 6.428 602 H ALA 80 H ALA 80 -7.137 -10.250 0.858 603 HA ALA 80 HA ALA 80 -9.082 -10.263 -1.348 604 1HB ALA 80 1HB ALA 80 -6.797 -10.031 -2.695 605 2HB ALA 80 2HB ALA 80 -7.635 -8.600 -2.049 606 3HB ALA 80 3HB ALA 80 -6.246 -9.288 -1.174 607 H GLN 81 H GLN 81 -6.102 -11.723 0.097 608 HA GLN 81 HA GLN 81 -5.764 -13.818 -1.532 609 1HB GLN 81 2HB GLN 81 -5.554 -13.751 1.508 610 2HB GLN 81 1HB GLN 81 -4.907 -15.046 0.522 611 1HG GLN 81 2HG GLN 81 -4.096 -12.106 0.451 612 2HG GLN 81 1HG GLN 81 -3.111 -13.457 0.976 613 1HE2 GLN 81 1HE2 GLN 81 -4.160 -11.539 -1.624 614 2HE2 GLN 81 2HE2 GLN 81 -3.374 -12.365 -2.928 Start of MODEL 26 1 H ALA 2 H ALA 2 -2.171 -14.004 6.953 2 HA ALA 2 HA ALA 2 -1.994 -15.890 8.732 3 1HB ALA 2 1HB ALA 2 -2.861 -17.199 6.149 4 2HB ALA 2 2HB ALA 2 -1.847 -18.081 7.316 5 3HB ALA 2 3HB ALA 2 -3.450 -17.481 7.805 6 H ASP 3 H ASP 3 -1.014 -15.838 5.227 7 HA ASP 3 HA ASP 3 1.598 -16.551 5.719 8 1HB ASP 3 2HB ASP 3 0.472 -14.785 3.492 9 2HB ASP 3 1HB ASP 3 2.043 -15.559 3.450 10 H GLU 4 H GLU 4 3.421 -15.333 6.361 11 HA GLU 4 HA GLU 4 2.871 -12.600 7.100 12 1HB GLU 4 2HB GLU 4 4.196 -14.607 8.406 13 2HB GLU 4 1HB GLU 4 5.552 -13.802 7.642 14 1HG GLU 4 2HG GLU 4 5.404 -12.560 9.609 15 2HG GLU 4 1HG GLU 4 4.389 -11.589 8.561 16 H ALA 5 H ALA 5 4.332 -14.421 4.545 17 HA ALA 5 HA ALA 5 6.344 -12.540 3.841 18 1HB ALA 5 1HB ALA 5 5.972 -13.934 1.581 19 2HB ALA 5 2HB ALA 5 6.814 -14.626 2.988 20 3HB ALA 5 3HB ALA 5 5.101 -15.014 2.695 21 H ILE 6 H ILE 6 2.946 -12.434 3.791 22 HA ILE 6 HA ILE 6 2.844 -10.818 1.373 23 HB ILE 6 HB ILE 6 0.947 -12.375 2.993 24 1HG1 ILE 6 2HG1 ILE 6 1.206 -11.623 0.071 25 2HG1 ILE 6 1HG1 ILE 6 1.613 -13.156 0.819 26 1HG2 ILE 6 1HG2 ILE 6 0.124 -10.078 3.406 27 2HG2 ILE 6 2HG2 ILE 6 0.000 -9.830 1.648 28 3HG2 ILE 6 3HG2 ILE 6 -1.006 -11.063 2.446 29 1HD1 ILE 6 1HD1 ILE 6 -0.508 -13.603 -0.087 30 2HD1 ILE 6 2HD1 ILE 6 -0.914 -13.168 1.591 31 3HD1 ILE 6 3HD1 ILE 6 -1.121 -11.973 0.287 32 H LYS 7 H LYS 7 2.224 -10.617 4.931 33 HA LYS 7 HA LYS 7 1.554 -7.881 4.862 34 1HB LYS 7 2HB LYS 7 1.355 -9.899 6.693 35 2HB LYS 7 1HB LYS 7 2.693 -8.985 7.359 36 1HG LYS 7 2HG LYS 7 1.032 -6.915 6.741 37 2HG LYS 7 1HG LYS 7 -0.171 -8.167 6.984 38 1HD LYS 7 2HD LYS 7 1.660 -8.479 9.135 39 2HD LYS 7 1HD LYS 7 1.441 -6.748 8.972 40 1HE LYS 7 2HE LYS 7 -1.167 -7.633 8.714 41 2HE LYS 7 1HE LYS 7 -0.516 -8.833 9.812 42 1HZ LYS 7 1HZ LYS 7 0.449 -6.669 10.910 43 2HZ LYS 7 2HZ LYS 7 -0.870 -5.999 10.218 44 3HZ LYS 7 3HZ LYS 7 -1.041 -7.233 11.275 45 H ASN 8 H ASN 8 4.611 -9.707 5.084 46 HA ASN 8 HA ASN 8 6.109 -7.444 5.851 47 1HB ASN 8 2HB ASN 8 6.575 -10.154 5.842 48 2HB ASN 8 1HB ASN 8 7.449 -9.705 4.391 49 1HD2 ASN 8 1HD2 ASN 8 8.887 -10.725 6.347 50 2HD2 ASN 8 2HD2 ASN 8 9.849 -9.542 7.170 51 H GLY 9 H GLY 9 5.847 -9.441 2.805 52 1HA GLY 9 2HA GLY 9 7.434 -8.010 1.113 53 2HA GLY 9 1HA GLY 9 5.980 -8.861 0.632 54 H VAL 10 H VAL 10 3.985 -7.348 2.010 55 HA VAL 10 HA VAL 10 3.566 -5.287 0.203 56 HB VAL 10 HB VAL 10 2.389 -6.165 2.802 57 1HG1 VAL 10 1HG1 VAL 10 2.141 -3.437 1.641 58 2HG1 VAL 10 2HG1 VAL 10 0.631 -4.224 2.159 59 3HG1 VAL 10 3HG1 VAL 10 1.958 -3.994 3.322 60 1HG2 VAL 10 1HG2 VAL 10 1.586 -7.379 0.959 61 2HG2 VAL 10 2HG2 VAL 10 0.318 -6.168 1.266 62 3HG2 VAL 10 3HG2 VAL 10 1.473 -5.930 -0.067 63 H LEU 11 H LEU 11 4.710 -5.185 3.646 64 HA LEU 11 HA LEU 11 5.047 -2.399 3.667 65 1HB LEU 11 2HB LEU 11 4.938 -4.252 5.551 66 2HB LEU 11 1HB LEU 11 6.682 -4.205 5.389 67 HG LEU 11 HG LEU 11 6.799 -1.930 6.059 68 1HD1 LEU 11 1HD1 LEU 11 4.452 -0.826 6.677 69 2HD1 LEU 11 2HD1 LEU 11 5.186 -0.678 5.061 70 3HD1 LEU 11 3HD1 LEU 11 3.906 -1.881 5.351 71 1HD2 LEU 11 1HD2 LEU 11 4.727 -2.536 8.024 72 2HD2 LEU 11 2HD2 LEU 11 5.809 -3.915 7.714 73 3HD2 LEU 11 3HD2 LEU 11 6.487 -2.351 8.225 74 H ASP 12 H ASP 12 7.296 -5.148 2.992 75 HA ASP 12 HA ASP 12 9.581 -3.689 2.766 76 1HB ASP 12 2HB ASP 12 8.926 -6.305 2.447 77 2HB ASP 12 1HB ASP 12 9.085 -5.873 0.757 78 H ILE 13 H ILE 13 6.974 -4.404 0.360 79 HA ILE 13 HA ILE 13 8.320 -3.078 -1.775 80 HB ILE 13 HB ILE 13 5.785 -4.517 -1.332 81 1HG1 ILE 13 2HG1 ILE 13 7.217 -4.524 -3.932 82 2HG1 ILE 13 1HG1 ILE 13 8.134 -5.098 -2.553 83 1HG2 ILE 13 1HG2 ILE 13 6.017 -2.296 -3.370 84 2HG2 ILE 13 2HG2 ILE 13 4.868 -3.646 -3.521 85 3HG2 ILE 13 3HG2 ILE 13 4.759 -2.537 -2.134 86 1HD1 ILE 13 1HD1 ILE 13 5.421 -6.176 -2.469 87 2HD1 ILE 13 2HD1 ILE 13 6.201 -6.543 -4.027 88 3HD1 ILE 13 3HD1 ILE 13 6.974 -7.043 -2.505 89 H LEU 14 H LEU 14 6.309 -2.134 0.934 90 HA LEU 14 HA LEU 14 5.432 0.308 -0.281 91 1HB LEU 14 2HB LEU 14 4.853 -1.245 2.060 92 2HB LEU 14 1HB LEU 14 5.203 0.403 2.539 93 HG LEU 14 HG LEU 14 2.910 0.432 2.236 94 1HD1 LEU 14 1HD1 LEU 14 4.237 2.143 0.825 95 2HD1 LEU 14 2HD1 LEU 14 3.671 1.199 -0.574 96 3HD1 LEU 14 3HD1 LEU 14 2.492 1.953 0.527 97 1HD2 LEU 14 1HD2 LEU 14 2.097 -0.559 -0.170 98 2HD2 LEU 14 2HD2 LEU 14 3.439 -1.659 0.228 99 3HD2 LEU 14 3HD2 LEU 14 2.082 -1.462 1.364 100 H ALA 15 H ALA 15 7.749 -0.572 2.379 101 HA ALA 15 HA ALA 15 8.727 1.965 2.807 102 1HB ALA 15 1HB ALA 15 9.197 -0.615 3.734 103 2HB ALA 15 2HB ALA 15 10.748 -0.161 2.989 104 3HB ALA 15 3HB ALA 15 10.043 0.856 4.270 105 H ASP 16 H ASP 16 9.450 -0.414 0.240 106 HA ASP 16 HA ASP 16 11.712 1.019 -0.669 107 1HB ASP 16 2HB ASP 16 10.258 -1.440 -1.330 108 2HB ASP 16 1HB ASP 16 10.690 -0.572 -2.790 109 H LEU 17 H LEU 17 8.197 0.936 -1.267 110 HA LEU 17 HA LEU 17 8.169 2.200 -3.759 111 1HB LEU 17 2HB LEU 17 6.261 1.545 -1.613 112 2HB LEU 17 1HB LEU 17 5.818 2.933 -2.588 113 HG LEU 17 HG LEU 17 6.616 0.351 -3.913 114 1HD1 LEU 17 1HD1 LEU 17 4.938 -0.298 -2.279 115 2HD1 LEU 17 2HD1 LEU 17 3.859 1.002 -2.838 116 3HD1 LEU 17 3HD1 LEU 17 4.259 -0.350 -3.924 117 1HD2 LEU 17 1HD2 LEU 17 5.214 1.153 -5.720 118 2HD2 LEU 17 2HD2 LEU 17 4.713 2.557 -4.746 119 3HD2 LEU 17 3HD2 LEU 17 6.405 2.399 -5.273 120 H THR 18 H THR 18 8.124 3.465 -0.379 121 HA THR 18 HA THR 18 8.001 6.187 -1.307 122 HB THR 18 HB THR 18 7.937 6.676 1.071 123 HG1 THR 18 1HG THR 18 8.541 4.767 2.494 124 1HG2 THR 18 1HG2 THR 18 6.069 4.993 0.029 125 2HG2 THR 18 2HG2 THR 18 6.794 3.895 1.228 126 3HG2 THR 18 3HG2 THR 18 6.080 5.438 1.753 127 H GLY 19 H GLY 19 10.497 4.158 0.371 128 1HA GLY 19 2HA GLY 19 12.722 4.274 -0.685 129 2HA GLY 19 1HA GLY 19 12.514 6.013 -0.747 130 H SER 20 H SER 20 10.933 5.279 2.044 131 HA SER 20 HA SER 20 13.400 5.324 3.599 132 1HB SER 20 2HB SER 20 11.068 7.175 3.617 133 2HB SER 20 1HB SER 20 11.599 6.660 5.206 134 HG SER 20 HG SER 20 13.861 7.251 4.299 135 H ASP 21 H ASP 21 12.906 4.698 6.015 136 HA ASP 21 HA ASP 21 11.237 2.347 5.867 137 1HB ASP 21 2HB ASP 21 13.640 3.187 7.342 138 2HB ASP 21 1HB ASP 21 12.446 2.492 8.421 139 H ASP 22 H ASP 22 10.107 5.127 6.046 140 HA ASP 22 HA ASP 22 9.342 5.501 8.749 141 1HB ASP 22 2HB ASP 22 7.574 6.945 7.061 142 2HB ASP 22 1HB ASP 22 8.975 7.571 7.907 143 H VAL 23 H VAL 23 7.830 4.371 5.652 144 HA VAL 23 HA VAL 23 5.304 3.856 6.899 145 HB VAL 23 HB VAL 23 5.657 4.569 4.531 146 1HG1 VAL 23 1HG1 VAL 23 6.767 1.760 4.291 147 2HG1 VAL 23 2HG1 VAL 23 6.167 2.693 2.898 148 3HG1 VAL 23 3HG1 VAL 23 7.548 3.297 3.846 149 1HG2 VAL 23 1HG2 VAL 23 4.038 2.164 5.312 150 2HG2 VAL 23 2HG2 VAL 23 3.505 3.810 4.894 151 3HG2 VAL 23 3HG2 VAL 23 4.049 2.698 3.614 152 H LYS 24 H LYS 24 8.278 2.416 7.226 153 HA LYS 24 HA LYS 24 7.290 -0.313 7.124 154 1HB LYS 24 2HB LYS 24 9.552 0.389 6.229 155 2HB LYS 24 1HB LYS 24 10.050 0.676 7.883 156 1HG LYS 24 2HG LYS 24 9.493 -1.695 8.464 157 2HG LYS 24 1HG LYS 24 8.994 -1.982 6.808 158 1HD LYS 24 2HD LYS 24 11.448 -1.035 6.261 159 2HD LYS 24 1HD LYS 24 11.772 -1.541 7.907 160 1HE LYS 24 2HE LYS 24 10.634 -3.811 7.185 161 2HE LYS 24 1HE LYS 24 10.909 -3.249 5.547 162 1HZ LYS 24 1HZ LYS 24 12.845 -4.302 5.973 163 2HZ LYS 24 2HZ LYS 24 13.275 -2.818 6.498 164 3HZ LYS 24 3HZ LYS 24 12.851 -3.972 7.571 165 H LYS 25 H LYS 25 7.977 2.317 9.394 166 HA LYS 25 HA LYS 25 7.617 0.475 11.630 167 1HB LYS 25 2HB LYS 25 8.486 2.237 13.016 168 2HB LYS 25 1HB LYS 25 9.560 2.010 11.650 169 1HG LYS 25 2HG LYS 25 9.350 4.345 11.683 170 2HG LYS 25 1HG LYS 25 8.125 3.909 10.508 171 1HD LYS 25 2HD LYS 25 6.544 4.903 11.788 172 2HD LYS 25 1HD LYS 25 6.862 3.753 13.072 173 1HE LYS 25 2HE LYS 25 8.874 5.277 13.715 174 2HE LYS 25 1HE LYS 25 8.166 6.473 12.648 175 1HZ LYS 25 1HZ LYS 25 7.116 5.412 15.139 176 2HZ LYS 25 2HZ LYS 25 7.181 6.959 14.619 177 3HZ LYS 25 3HZ LYS 25 6.056 5.941 14.014 178 H ASN 26 H ASN 26 6.265 3.473 10.132 179 HA ASN 26 HA ASN 26 4.130 3.504 12.006 180 1HB ASN 26 2HB ASN 26 5.292 5.349 10.220 181 2HB ASN 26 1HB ASN 26 3.726 5.032 9.499 182 1HD2 ASN 26 1HD2 ASN 26 1.920 5.831 10.376 183 2HD2 ASN 26 2HD2 ASN 26 1.836 6.792 11.814 184 H LEU 27 H LEU 27 1.966 2.777 11.615 185 HA LEU 27 HA LEU 27 1.581 1.380 9.059 186 1HB LEU 27 2HB LEU 27 0.449 0.683 11.771 187 2HB LEU 27 1HB LEU 27 0.121 -0.161 10.271 188 HG LEU 27 HG LEU 27 2.973 0.093 11.134 189 1HD1 LEU 27 1HD1 LEU 27 1.813 -2.315 12.232 190 2HD1 LEU 27 2HD1 LEU 27 2.811 -1.069 13.018 191 3HD1 LEU 27 3HD1 LEU 27 1.045 -0.869 12.930 192 1HD2 LEU 27 1HD2 LEU 27 1.826 -1.081 9.004 193 2HD2 LEU 27 2HD2 LEU 27 3.340 -1.654 9.746 194 3HD2 LEU 27 3HD2 LEU 27 1.798 -2.447 10.146 195 H ASP 28 H ASP 28 1.134 4.228 9.546 196 HA ASP 28 HA ASP 28 -1.495 4.323 8.575 197 1HB ASP 28 2HB ASP 28 -1.246 4.444 11.405 198 2HB ASP 28 1HB ASP 28 -1.481 6.105 10.900 199 H LEU 29 H LEU 29 1.285 5.129 7.910 200 HA LEU 29 HA LEU 29 1.251 8.020 8.237 201 1HB LEU 29 2HB LEU 29 3.301 6.834 8.753 202 2HB LEU 29 1HB LEU 29 3.330 6.114 7.156 203 HG LEU 29 HG LEU 29 3.455 8.522 6.255 204 1HD1 LEU 29 1HD1 LEU 29 2.978 9.241 8.839 205 2HD1 LEU 29 2HD1 LEU 29 4.751 9.391 8.755 206 3HD1 LEU 29 3HD1 LEU 29 3.726 10.290 7.609 207 1HD2 LEU 29 1HD2 LEU 29 5.808 7.457 7.838 208 2HD2 LEU 29 2HD2 LEU 29 5.309 6.889 6.227 209 3HD2 LEU 29 3HD2 LEU 29 5.866 8.565 6.446 210 H ASN 30 H ASN 30 -0.189 8.965 6.853 211 HA ASN 30 HA ASN 30 -1.224 8.101 4.615 212 1HB ASN 30 2HB ASN 30 -0.085 10.934 4.726 213 2HB ASN 30 1HB ASN 30 -1.562 10.413 3.938 214 1HD2 ASN 30 1HD2 ASN 30 -2.783 8.847 5.749 215 2HD2 ASN 30 2HD2 ASN 30 -3.212 9.724 7.178 216 H LEU 31 H LEU 31 -0.382 7.274 2.695 217 HA LEU 31 HA LEU 31 2.394 7.720 2.094 218 1HB LEU 31 2HB LEU 31 0.240 6.096 0.736 219 2HB LEU 31 1HB LEU 31 1.915 6.150 0.222 220 HG LEU 31 HG LEU 31 1.490 5.441 3.067 221 1HD1 LEU 31 1HD1 LEU 31 1.132 3.046 1.496 222 2HD1 LEU 31 2HD1 LEU 31 0.153 3.686 2.838 223 3HD1 LEU 31 3HD1 LEU 31 -0.173 4.211 1.168 224 1HD2 LEU 31 1HD2 LEU 31 3.490 4.454 2.853 225 2HD2 LEU 31 2HD2 LEU 31 3.068 3.697 1.298 226 3HD2 LEU 31 3HD2 LEU 31 3.606 5.393 1.346 227 H PHE 32 H PHE 32 -0.213 9.668 1.792 228 HA PHE 32 HA PHE 32 0.796 10.756 -0.738 229 1HB PHE 32 2HB PHE 32 -2.020 10.292 0.363 230 2HB PHE 32 1HB PHE 32 -1.756 11.566 -0.813 231 HD1 PHE 32 1HD PHE 32 -1.934 11.062 -3.064 232 HD2 PHE 32 2HD PHE 32 -1.106 7.923 -0.331 233 HE1 PHE 32 1HE PHE 32 -2.142 9.388 -4.923 234 HE2 PHE 32 2HE PHE 32 -1.314 6.249 -2.190 235 HZ PHE 32 HZ PHE 32 -1.829 7.002 -4.464 236 H GLU 33 H GLU 33 -0.935 11.365 2.380 237 HA GLU 33 HA GLU 33 -0.759 14.151 2.130 238 1HB GLU 33 2HB GLU 33 -2.131 12.413 3.761 239 2HB GLU 33 1HB GLU 33 -0.904 12.990 4.872 240 1HG GLU 33 2HG GLU 33 -2.149 14.861 5.174 241 2HG GLU 33 1HG GLU 33 -1.770 15.320 3.526 242 H THR 34 H THR 34 1.568 11.713 2.842 243 HA THR 34 HA THR 34 3.247 13.563 4.369 244 HB THR 34 HB THR 34 3.512 10.580 3.711 245 HG1 THR 34 1HG THR 34 2.669 10.446 5.884 246 1HG2 THR 34 1HG2 THR 34 4.816 11.804 6.103 247 2HG2 THR 34 2HG2 THR 34 5.424 10.538 5.010 248 3HG2 THR 34 3HG2 THR 34 5.551 12.252 4.544 249 H GLY 35 H GLY 35 2.622 12.606 1.144 250 1HA GLY 35 2HA GLY 35 3.636 13.418 -0.730 251 2HA GLY 35 1HA GLY 35 4.941 14.074 0.240 252 H LEU 36 H LEU 36 3.946 10.697 0.686 253 HA LEU 36 HA LEU 36 6.575 9.866 -0.166 254 1HB LEU 36 2HB LEU 36 4.288 8.257 0.975 255 2HB LEU 36 1HB LEU 36 5.940 7.715 0.763 256 HG LEU 36 HG LEU 36 5.223 10.059 2.532 257 1HD1 LEU 36 1HD1 LEU 36 5.786 7.979 4.246 258 2HD1 LEU 36 2HD1 LEU 36 4.167 8.618 3.872 259 3HD1 LEU 36 3HD1 LEU 36 4.789 7.199 2.994 260 1HD2 LEU 36 1HD2 LEU 36 7.599 9.714 1.688 261 2HD2 LEU 36 2HD2 LEU 36 7.381 9.838 3.451 262 3HD2 LEU 36 3HD2 LEU 36 7.633 8.247 2.695 263 H LEU 37 H LEU 37 3.186 9.759 -1.263 264 HA LEU 37 HA LEU 37 4.165 8.472 -3.715 265 1HB LEU 37 2HB LEU 37 2.562 7.217 -1.981 266 2HB LEU 37 1HB LEU 37 1.339 8.097 -2.877 267 HG LEU 37 HG LEU 37 3.119 6.882 -4.764 268 1HD1 LEU 37 1HD1 LEU 37 2.500 4.464 -4.142 269 2HD1 LEU 37 2HD1 LEU 37 3.848 5.239 -3.276 270 3HD1 LEU 37 3HD1 LEU 37 2.254 5.097 -2.496 271 1HD2 LEU 37 1HD2 LEU 37 1.194 6.502 -5.829 272 2HD2 LEU 37 2HD2 LEU 37 0.482 5.652 -4.437 273 3HD2 LEU 37 3HD2 LEU 37 0.434 7.429 -4.513 274 H ASP 38 H ASP 38 2.337 8.883 -5.528 275 HA ASP 38 HA ASP 38 1.525 11.663 -5.242 276 1HB ASP 38 2HB ASP 38 3.580 10.727 -6.923 277 2HB ASP 38 1HB ASP 38 2.204 10.859 -7.999 278 H SER 39 H SER 39 1.424 8.949 -7.687 279 HA SER 39 HA SER 39 -1.288 8.447 -7.278 280 1HB SER 39 2HB SER 39 -1.805 10.504 -8.380 281 2HB SER 39 1HB SER 39 -0.559 10.272 -9.591 282 HG SER 39 HG SER 39 -1.801 8.778 -10.668 283 H MET 40 H MET 40 1.190 8.634 -9.942 284 HA MET 40 HA MET 40 0.427 6.305 -11.188 285 1HB MET 40 2HB MET 40 2.989 7.932 -11.003 286 2HB MET 40 1HB MET 40 3.028 6.405 -11.863 287 1HG MET 40 2HG MET 40 0.753 8.246 -12.540 288 2HG MET 40 1HG MET 40 2.348 8.765 -13.053 289 1HE MET 40 1HE MET 40 -0.596 6.803 -13.490 290 2HE MET 40 2HE MET 40 -0.336 7.542 -15.088 291 3HE MET 40 3HE MET 40 -0.336 5.770 -14.917 292 H GLY 41 H GLY 41 2.210 6.826 -8.206 293 1HA GLY 41 2HA GLY 41 3.766 4.529 -8.054 294 2HA GLY 41 1HA GLY 41 3.083 5.407 -6.700 295 H THR 42 H THR 42 0.363 5.089 -6.885 296 HA THR 42 HA THR 42 -0.102 2.602 -5.832 297 HB THR 42 HB THR 42 -1.516 4.949 -6.284 298 HG1 THR 42 1HG THR 42 -3.181 3.598 -5.174 299 1HG2 THR 42 1HG2 THR 42 -3.586 4.312 -7.434 300 2HG2 THR 42 2HG2 THR 42 -2.236 4.053 -8.565 301 3HG2 THR 42 3HG2 THR 42 -2.967 2.668 -7.720 302 H VAL 43 H VAL 43 -0.116 3.601 -9.268 303 HA VAL 43 HA VAL 43 -1.327 1.316 -10.285 304 HB VAL 43 HB VAL 43 0.828 3.029 -11.538 305 1HG1 VAL 43 1HG1 VAL 43 -0.788 0.807 -12.504 306 2HG1 VAL 43 2HG1 VAL 43 -1.052 2.282 -13.466 307 3HG1 VAL 43 3HG1 VAL 43 0.593 1.631 -13.268 308 1HG2 VAL 43 1HG2 VAL 43 -2.123 3.485 -11.131 309 2HG2 VAL 43 2HG2 VAL 43 -0.760 4.603 -10.881 310 3HG2 VAL 43 3HG2 VAL 43 -1.281 4.187 -12.532 311 H GLN 44 H GLN 44 1.894 1.895 -8.955 312 HA GLN 44 HA GLN 44 3.045 -0.377 -10.182 313 1HB GLN 44 2HB GLN 44 4.391 1.570 -9.442 314 2HB GLN 44 1HB GLN 44 3.944 1.267 -7.775 315 1HG GLN 44 2HG GLN 44 5.424 -0.475 -7.553 316 2HG GLN 44 1HG GLN 44 5.071 -1.113 -9.146 317 1HE2 GLN 44 1HE2 GLN 44 7.111 0.861 -7.226 318 2HE2 GLN 44 2HE2 GLN 44 8.257 1.334 -8.435 319 H LEU 45 H LEU 45 2.361 0.354 -6.677 320 HA LEU 45 HA LEU 45 2.732 -2.103 -5.646 321 1HB LEU 45 2HB LEU 45 0.575 -1.280 -4.218 322 2HB LEU 45 1HB LEU 45 2.230 -0.773 -3.949 323 HG LEU 45 HG LEU 45 0.636 0.808 -5.911 324 1HD1 LEU 45 1HD1 LEU 45 0.061 2.069 -3.512 325 2HD1 LEU 45 2HD1 LEU 45 -1.076 1.148 -4.527 326 3HD1 LEU 45 3HD1 LEU 45 -0.247 0.350 -3.170 327 1HD2 LEU 45 1HD2 LEU 45 2.306 1.941 -3.698 328 2HD2 LEU 45 2HD2 LEU 45 3.107 1.127 -5.064 329 3HD2 LEU 45 3HD2 LEU 45 2.050 2.529 -5.360 330 H LEU 46 H LEU 46 -0.272 -0.902 -7.268 331 HA LEU 46 HA LEU 46 -1.865 -3.081 -6.864 332 1HB LEU 46 2HB LEU 46 -1.623 -1.069 -9.070 333 2HB LEU 46 1HB LEU 46 -2.757 -2.397 -9.222 334 HG LEU 46 HG LEU 46 -2.764 -0.118 -7.258 335 1HD1 LEU 46 1HD1 LEU 46 -5.267 -1.075 -8.470 336 2HD1 LEU 46 2HD1 LEU 46 -4.604 0.572 -8.331 337 3HD1 LEU 46 3HD1 LEU 46 -4.053 -0.503 -9.638 338 1HD2 LEU 46 1HD2 LEU 46 -3.063 -1.874 -5.741 339 2HD2 LEU 46 2HD2 LEU 46 -4.717 -1.361 -6.152 340 3HD2 LEU 46 3HD2 LEU 46 -4.031 -2.830 -6.888 341 H LEU 47 H LEU 47 0.710 -2.596 -9.342 342 HA LEU 47 HA LEU 47 0.201 -5.088 -10.600 343 1HB LEU 47 2HB LEU 47 1.540 -2.808 -11.246 344 2HB LEU 47 1HB LEU 47 2.874 -3.873 -10.852 345 HG LEU 47 HG LEU 47 2.433 -3.936 -13.226 346 1HD1 LEU 47 1HD1 LEU 47 1.533 -6.516 -11.913 347 2HD1 LEU 47 2HD1 LEU 47 2.183 -6.339 -13.561 348 3HD1 LEU 47 3HD1 LEU 47 3.218 -5.997 -12.155 349 1HD2 LEU 47 1HD2 LEU 47 0.297 -4.819 -14.124 350 2HD2 LEU 47 2HD2 LEU 47 -0.383 -4.770 -12.480 351 3HD2 LEU 47 3HD2 LEU 47 0.118 -3.262 -13.281 352 H GLU 48 H GLU 48 1.928 -4.036 -7.729 353 HA GLU 48 HA GLU 48 3.462 -6.470 -7.666 354 1HB GLU 48 2HB GLU 48 3.677 -3.835 -6.501 355 2HB GLU 48 1HB GLU 48 3.665 -5.009 -5.201 356 1HG GLU 48 2HG GLU 48 5.975 -4.659 -5.946 357 2HG GLU 48 1HG GLU 48 5.486 -6.294 -6.342 358 H LEU 49 H LEU 49 0.349 -5.357 -6.745 359 HA LEU 49 HA LEU 49 0.180 -7.273 -4.545 360 1HB LEU 49 2HB LEU 49 -1.460 -4.912 -5.409 361 2HB LEU 49 1HB LEU 49 -2.146 -6.139 -4.363 362 HG LEU 49 HG LEU 49 0.237 -4.364 -3.788 363 1HD1 LEU 49 1HD1 LEU 49 -1.643 -3.089 -3.358 364 2HD1 LEU 49 2HD1 LEU 49 -2.601 -4.486 -2.808 365 3HD1 LEU 49 3HD1 LEU 49 -1.313 -3.824 -1.771 366 1HD2 LEU 49 1HD2 LEU 49 0.189 -5.490 -1.515 367 2HD2 LEU 49 2HD2 LEU 49 -0.794 -6.765 -2.273 368 3HD2 LEU 49 3HD2 LEU 49 0.855 -6.446 -2.861 369 H GLN 50 H GLN 50 -0.384 -6.932 -7.922 370 HA GLN 50 HA GLN 50 -2.417 -9.011 -7.810 371 1HB GLN 50 2HB GLN 50 -2.814 -6.829 -9.109 372 2HB GLN 50 1HB GLN 50 -1.596 -7.375 -10.243 373 1HG GLN 50 2HG GLN 50 -2.894 -9.356 -10.817 374 2HG GLN 50 1HG GLN 50 -4.020 -9.072 -9.503 375 1HE2 GLN 50 1HE2 GLN 50 -5.645 -9.191 -11.149 376 2HE2 GLN 50 2HE2 GLN 50 -6.048 -7.804 -12.105 377 H SER 51 H SER 51 0.663 -9.176 -7.467 378 HA SER 51 HA SER 51 1.014 -11.180 -9.555 379 1HB SER 51 2HB SER 51 2.526 -8.827 -9.239 380 2HB SER 51 1HB SER 51 3.530 -10.069 -8.516 381 HG SER 51 HG SER 51 2.658 -11.200 -10.741 382 H GLN 52 H GLN 52 2.388 -9.996 -6.392 383 HA GLN 52 HA GLN 52 3.093 -12.676 -5.707 384 1HB GLN 52 2HB GLN 52 3.218 -10.165 -3.983 385 2HB GLN 52 1HB GLN 52 4.059 -11.674 -3.687 386 1HG GLN 52 2HG GLN 52 5.787 -10.651 -4.792 387 2HG GLN 52 1HG GLN 52 4.928 -11.160 -6.232 388 1HE2 GLN 52 1HE2 GLN 52 4.874 -8.555 -3.802 389 2HE2 GLN 52 2HE2 GLN 52 4.612 -7.239 -4.897 390 H PHE 53 H PHE 53 0.416 -10.447 -5.207 391 HA PHE 53 HA PHE 53 -0.726 -12.356 -3.287 392 1HB PHE 53 2HB PHE 53 -1.491 -9.416 -3.675 393 2HB PHE 53 1HB PHE 53 -1.811 -10.417 -2.273 394 HD1 PHE 53 1HD PHE 53 -0.426 -10.246 -0.423 395 HD2 PHE 53 2HD PHE 53 1.040 -8.980 -4.198 396 HE1 PHE 53 1HE PHE 53 1.652 -9.366 0.678 397 HE2 PHE 53 2HE PHE 53 3.118 -8.101 -3.098 398 HZ PHE 53 HZ PHE 53 3.397 -8.305 -0.672 399 H GLY 54 H GLY 54 -0.859 -11.067 -6.448 400 1HA GLY 54 2HA GLY 54 -2.453 -10.984 -8.048 401 2HA GLY 54 1HA GLY 54 -2.925 -12.536 -7.387 402 H VAL 55 H VAL 55 -3.148 -9.170 -6.032 403 HA VAL 55 HA VAL 55 -5.769 -9.691 -5.056 404 HB VAL 55 HB VAL 55 -3.931 -8.190 -4.098 405 1HG1 VAL 55 1HG1 VAL 55 -3.318 -6.842 -5.949 406 2HG1 VAL 55 2HG1 VAL 55 -5.008 -6.399 -6.287 407 3HG1 VAL 55 3HG1 VAL 55 -4.196 -5.765 -4.836 408 1HG2 VAL 55 1HG2 VAL 55 -6.239 -6.444 -3.978 409 2HG2 VAL 55 2HG2 VAL 55 -6.737 -8.151 -3.892 410 3HG2 VAL 55 3HG2 VAL 55 -5.555 -7.508 -2.726 411 H ASP 56 H ASP 56 -7.655 -8.196 -5.603 412 HA ASP 56 HA ASP 56 -7.612 -7.727 -8.481 413 1HB ASP 56 2HB ASP 56 -9.459 -9.206 -6.751 414 2HB ASP 56 1HB ASP 56 -10.309 -7.940 -7.614 415 H ALA 57 H ALA 57 -6.875 -5.887 -6.219 416 HA ALA 57 HA ALA 57 -8.791 -4.227 -5.298 417 1HB ALA 57 1HB ALA 57 -6.430 -4.024 -4.729 418 2HB ALA 57 2HB ALA 57 -6.036 -3.537 -6.396 419 3HB ALA 57 3HB ALA 57 -7.013 -2.467 -5.363 420 HA PRO 58 HA PRO 58 -10.528 -2.172 -8.683 421 1HB PRO 58 2HB PRO 58 -11.282 0.218 -7.593 422 2HB PRO 58 1HB PRO 58 -12.197 -1.263 -7.383 423 1HG PRO 58 2HG PRO 58 -10.451 0.128 -5.445 424 2HG PRO 58 1HG PRO 58 -11.683 -1.081 -5.143 425 1HD PRO 58 2HD PRO 58 -8.843 -1.489 -5.146 426 2HD PRO 58 1HD PRO 58 -10.078 -2.718 -4.959 427 H VAL 59 H VAL 59 -10.636 0.112 -9.874 428 HA VAL 59 HA VAL 59 -8.048 1.380 -9.737 429 HB VAL 59 HB VAL 59 -8.927 0.128 -12.335 430 1HG1 VAL 59 1HG1 VAL 59 -7.203 1.222 -13.237 431 2HG1 VAL 59 2HG1 VAL 59 -7.015 2.088 -11.693 432 3HG1 VAL 59 3HG1 VAL 59 -6.088 0.599 -11.996 433 1HG2 VAL 59 1HG2 VAL 59 -8.515 -1.695 -10.768 434 2HG2 VAL 59 2HG2 VAL 59 -7.201 -1.601 -11.966 435 3HG2 VAL 59 3HG2 VAL 59 -6.948 -0.982 -10.316 436 H SER 60 H SER 60 -11.204 0.959 -11.449 437 HA SER 60 HA SER 60 -11.429 3.180 -12.833 438 1HB SER 60 2HB SER 60 -13.893 3.235 -12.065 439 2HB SER 60 1HB SER 60 -13.309 1.740 -12.768 440 HG SER 60 HG SER 60 -14.348 2.165 -10.277 441 H GLU 61 H GLU 61 -12.301 3.021 -9.295 442 HA GLU 61 HA GLU 61 -11.089 5.541 -8.861 443 1HB GLU 61 2HB GLU 61 -13.832 5.560 -9.656 444 2HB GLU 61 1HB GLU 61 -13.818 5.900 -7.937 445 1HG GLU 61 2HG GLU 61 -11.790 7.533 -8.642 446 2HG GLU 61 1HG GLU 61 -12.598 7.479 -10.196 447 H PHE 62 H PHE 62 -10.031 3.752 -7.524 448 HA PHE 62 HA PHE 62 -11.462 2.522 -5.451 449 1HB PHE 62 2HB PHE 62 -8.999 2.293 -4.580 450 2HB PHE 62 1HB PHE 62 -9.333 1.613 -6.160 451 HD1 PHE 62 1HD PHE 62 -8.280 2.470 -8.114 452 HD2 PHE 62 2HD PHE 62 -7.831 4.494 -4.411 453 HE1 PHE 62 1HE PHE 62 -6.454 3.878 -9.104 454 HE2 PHE 62 2HE PHE 62 -6.005 5.902 -5.402 455 HZ PHE 62 HZ PHE 62 -5.337 5.577 -7.736 456 H ASP 63 H ASP 63 -10.487 2.852 -3.043 457 HA ASP 63 HA ASP 63 -11.186 5.578 -2.447 458 1HB ASP 63 2HB ASP 63 -10.489 4.033 -0.102 459 2HB ASP 63 1HB ASP 63 -12.057 4.660 -0.566 460 H ARG 64 H ARG 64 -9.318 6.871 -2.815 461 HA ARG 64 HA ARG 64 -6.755 6.125 -2.585 462 1HB ARG 64 2HB ARG 64 -8.233 8.718 -2.385 463 2HB ARG 64 1HB ARG 64 -6.607 8.750 -1.733 464 1HG ARG 64 2HG ARG 64 -6.832 7.367 -4.359 465 2HG ARG 64 1HG ARG 64 -7.248 9.068 -4.411 466 1HD ARG 64 2HD ARG 64 -5.034 9.568 -4.427 467 2HD ARG 64 1HD ARG 64 -4.906 8.929 -2.801 468 HE ARG 64 HE ARG 64 -4.046 6.894 -3.662 469 1HH1 ARG 64 2HH2 ARG 64 -5.132 8.993 -6.270 470 2HH1 ARG 64 1HH2 ARG 64 -4.368 8.057 -7.513 471 1HH2 ARG 64 2HH1 ARG 64 -3.039 5.660 -5.301 472 2HH2 ARG 64 1HH1 ARG 64 -3.170 6.149 -6.957 473 H LYS 65 H LYS 65 -9.044 7.018 0.003 474 HA LYS 65 HA LYS 65 -7.161 7.439 2.035 475 1HB LYS 65 2HB LYS 65 -9.168 8.266 2.679 476 2HB LYS 65 1HB LYS 65 -10.085 7.055 1.806 477 1HG LYS 65 2HG LYS 65 -10.425 6.652 4.173 478 2HG LYS 65 1HG LYS 65 -9.422 5.352 3.561 479 1HD LYS 65 2HD LYS 65 -8.265 5.956 5.512 480 2HD LYS 65 1HD LYS 65 -7.399 6.872 4.295 481 1HE LYS 65 2HE LYS 65 -7.790 8.530 5.905 482 2HE LYS 65 1HE LYS 65 -9.156 8.777 4.835 483 1HZ LYS 65 1HZ LYS 65 -9.857 8.660 7.107 484 2HZ LYS 65 2HZ LYS 65 -10.467 7.380 6.298 485 3HZ LYS 65 3HZ LYS 65 -9.194 7.181 7.302 486 H GLU 66 H GLU 66 -8.618 4.520 0.601 487 HA GLU 66 HA GLU 66 -7.619 2.871 2.702 488 1HB GLU 66 2HB GLU 66 -9.685 2.209 1.622 489 2HB GLU 66 1HB GLU 66 -8.952 2.277 0.031 490 1HG GLU 66 2HG GLU 66 -7.394 0.415 0.688 491 2HG GLU 66 1HG GLU 66 -8.171 0.333 2.256 492 H TRP 67 H TRP 67 -6.574 4.047 -0.471 493 HA TRP 67 HA TRP 67 -4.307 2.188 -0.406 494 1HB TRP 67 2HB TRP 67 -5.295 3.941 -2.663 495 2HB TRP 67 1HB TRP 67 -3.979 2.786 -2.741 496 HD1 TRP 67 HD TRP 67 -7.712 2.981 -3.151 497 HE1 TRP 67 1HE TRP 67 -8.802 0.631 -3.653 498 HE3 TRP 67 3HE TRP 67 -3.585 0.236 -2.016 499 HZ2 TRP 67 2HZ TRP 67 -7.839 -2.051 -3.523 500 HZ3 TRP 67 3HZ TRP 67 -3.744 -2.242 -2.230 501 HH2 TRP 67 HH TRP 67 -5.778 -3.389 -2.955 502 H ASP 68 H ASP 68 -4.785 4.592 1.383 503 HA ASP 68 HA ASP 68 -2.672 6.313 0.377 504 1HB ASP 68 2HB ASP 68 -4.321 7.806 0.982 505 2HB ASP 68 1HB ASP 68 -5.072 6.683 2.099 506 H THR 69 H THR 69 -3.767 4.166 3.023 507 HA THR 69 HA THR 69 -1.192 4.580 4.392 508 HB THR 69 HB THR 69 -2.727 3.343 6.244 509 HG1 THR 69 1HG THR 69 -4.936 3.875 5.785 510 1HG2 THR 69 1HG2 THR 69 -2.232 5.452 7.054 511 2HG2 THR 69 2HG2 THR 69 -2.427 6.210 5.455 512 3HG2 THR 69 3HG2 THR 69 -3.858 5.854 6.453 513 HA PRO 70 HA PRO 70 -0.084 0.521 3.561 514 1HB PRO 70 2HB PRO 70 1.408 -0.168 5.745 515 2HB PRO 70 1HB PRO 70 2.024 0.822 4.436 516 1HG PRO 70 2HG PRO 70 1.192 1.647 7.150 517 2HG PRO 70 1HG PRO 70 2.188 2.512 5.996 518 1HD PRO 70 2HD PRO 70 -0.566 3.025 6.612 519 2HD PRO 70 1HD PRO 70 0.397 3.813 5.377 520 H ASN 71 H ASN 71 -1.539 0.994 6.699 521 HA ASN 71 HA ASN 71 -2.056 -1.696 7.140 522 1HB ASN 71 2HB ASN 71 -2.610 0.829 8.408 523 2HB ASN 71 1HB ASN 71 -4.145 -0.006 8.271 524 1HD2 ASN 71 1HD2 ASN 71 -2.035 0.602 10.446 525 2HD2 ASN 71 2HD2 ASN 71 -1.872 -0.886 11.317 526 H LYS 72 H LYS 72 -4.203 1.036 6.012 527 HA LYS 72 HA LYS 72 -6.465 -0.415 5.504 528 1HB LYS 72 2HB LYS 72 -5.381 2.195 4.808 529 2HB LYS 72 1HB LYS 72 -6.359 1.547 3.506 530 1HG LYS 72 2HG LYS 72 -8.301 1.390 4.856 531 2HG LYS 72 1HG LYS 72 -7.386 1.375 6.351 532 1HD LYS 72 2HD LYS 72 -6.966 3.836 4.750 533 2HD LYS 72 1HD LYS 72 -8.633 3.608 5.236 534 1HE LYS 72 2HE LYS 72 -6.277 3.445 7.174 535 2HE LYS 72 1HE LYS 72 -7.208 4.904 6.904 536 1HZ LYS 72 1HZ LYS 72 -8.003 2.458 8.222 537 2HZ LYS 72 2HZ LYS 72 -8.350 4.007 8.606 538 3HZ LYS 72 3HZ LYS 72 -9.161 3.263 7.399 539 H ILE 73 H ILE 73 -3.459 -0.138 3.596 540 HA ILE 73 HA ILE 73 -4.603 -1.479 1.336 541 HB ILE 73 HB ILE 73 -1.850 -0.545 2.099 542 1HG1 ILE 73 2HG1 ILE 73 -3.830 0.264 -0.048 543 2HG1 ILE 73 1HG1 ILE 73 -3.399 1.179 1.383 544 1HG2 ILE 73 1HG2 ILE 73 -2.624 -2.511 0.010 545 2HG2 ILE 73 2HG2 ILE 73 -1.484 -1.229 -0.465 546 3HG2 ILE 73 3HG2 ILE 73 -1.093 -2.309 0.895 547 1HD1 ILE 73 1HD1 ILE 73 -2.020 2.178 -0.221 548 2HD1 ILE 73 2HD1 ILE 73 -0.922 0.945 0.444 549 3HD1 ILE 73 3HD1 ILE 73 -1.762 0.650 -1.098 550 H ILE 74 H ILE 74 -2.296 -2.312 4.004 551 HA ILE 74 HA ILE 74 -1.763 -4.892 3.248 552 HB ILE 74 HB ILE 74 -1.692 -3.313 5.730 553 1HG1 ILE 74 2HG1 ILE 74 0.244 -5.260 4.442 554 2HG1 ILE 74 1HG1 ILE 74 0.209 -3.530 4.168 555 1HG2 ILE 74 1HG2 ILE 74 -1.047 -5.456 7.012 556 2HG2 ILE 74 2HG2 ILE 74 -2.772 -5.077 6.801 557 3HG2 ILE 74 3HG2 ILE 74 -2.000 -6.308 5.773 558 1HD1 ILE 74 1HD1 ILE 74 1.452 -4.989 6.336 559 2HD1 ILE 74 2HD1 ILE 74 1.533 -3.246 5.978 560 3HD1 ILE 74 3HD1 ILE 74 0.226 -3.885 7.005 561 H ALA 75 H ALA 75 -4.705 -3.491 4.646 562 HA ALA 75 HA ALA 75 -5.816 -6.039 5.336 563 1HB ALA 75 1HB ALA 75 -6.374 -3.239 5.757 564 2HB ALA 75 2HB ALA 75 -7.828 -4.038 5.113 565 3HB ALA 75 3HB ALA 75 -7.057 -4.653 6.594 566 H LYS 76 H LYS 76 -5.659 -3.914 2.510 567 HA LYS 76 HA LYS 76 -7.877 -5.156 1.197 568 1HB LYS 76 2HB LYS 76 -6.777 -2.750 0.936 569 2HB LYS 76 1HB LYS 76 -5.800 -3.570 -0.264 570 1HG LYS 76 2HG LYS 76 -7.819 -2.618 -1.318 571 2HG LYS 76 1HG LYS 76 -7.852 -4.367 -1.422 572 1HD LYS 76 2HD LYS 76 -9.521 -4.573 0.252 573 2HD LYS 76 1HD LYS 76 -9.178 -2.995 0.933 574 1HE LYS 76 2HE LYS 76 -10.828 -2.108 -0.343 575 2HE LYS 76 1HE LYS 76 -9.915 -2.516 -1.782 576 1HZ LYS 76 1HZ LYS 76 -11.873 -3.651 -2.037 577 2HZ LYS 76 2HZ LYS 76 -10.910 -4.820 -1.427 578 3HZ LYS 76 3HZ LYS 76 -11.997 -4.075 -0.464 579 H VAL 77 H VAL 77 -4.621 -6.021 1.873 580 HA VAL 77 HA VAL 77 -4.414 -7.673 -0.515 581 HB VAL 77 HB VAL 77 -2.501 -7.098 1.756 582 1HG1 VAL 77 1HG1 VAL 77 -2.084 -9.321 0.839 583 2HG1 VAL 77 2HG1 VAL 77 -2.066 -8.659 -0.813 584 3HG1 VAL 77 3HG1 VAL 77 -0.795 -8.197 0.345 585 1HG2 VAL 77 1HG2 VAL 77 -2.640 -5.116 0.522 586 2HG2 VAL 77 2HG2 VAL 77 -1.250 -5.955 -0.206 587 3HG2 VAL 77 3HG2 VAL 77 -2.830 -5.976 -1.026 588 H GLU 78 H GLU 78 -5.343 -7.781 2.861 589 HA GLU 78 HA GLU 78 -5.011 -10.647 2.927 590 1HB GLU 78 2HB GLU 78 -5.712 -8.529 4.972 591 2HB GLU 78 1HB GLU 78 -6.069 -10.210 5.313 592 1HG GLU 78 2HG GLU 78 -3.308 -9.451 4.320 593 2HG GLU 78 1HG GLU 78 -3.720 -9.184 6.002 594 H GLN 79 H GLN 79 -7.463 -8.152 2.447 595 HA GLN 79 HA GLN 79 -9.584 -10.063 2.831 596 1HB GLN 79 2HB GLN 79 -9.394 -7.087 2.473 597 2HB GLN 79 1HB GLN 79 -10.883 -7.856 1.963 598 1HG GLN 79 2HG GLN 79 -11.354 -8.688 4.152 599 2HG GLN 79 1HG GLN 79 -9.698 -8.486 4.687 600 1HE2 GLN 79 1HE2 GLN 79 -8.841 -6.268 4.756 601 2HE2 GLN 79 2HE2 GLN 79 -9.882 -4.976 5.254 602 H ALA 80 H ALA 80 -7.459 -10.168 0.595 603 HA ALA 80 HA ALA 80 -9.348 -10.117 -1.659 604 1HB ALA 80 1HB ALA 80 -7.703 -8.523 -2.181 605 2HB ALA 80 2HB ALA 80 -6.402 -9.478 -1.431 606 3HB ALA 80 3HB ALA 80 -7.103 -9.995 -2.984 607 H GLN 81 H GLN 81 -6.670 -11.837 0.027 608 HA GLN 81 HA GLN 81 -6.475 -13.968 -1.675 609 1HB GLN 81 2HB GLN 81 -6.123 -13.852 1.352 610 2HB GLN 81 1HB GLN 81 -5.612 -15.206 0.363 611 1HG GLN 81 2HG GLN 81 -4.572 -12.346 0.287 612 2HG GLN 81 1HG GLN 81 -3.671 -13.805 0.650 613 1HE2 GLN 81 1HE2 GLN 81 -5.162 -11.855 -1.818 614 2HE2 GLN 81 2HE2 GLN 81 -4.428 -12.593 -3.203 Start of MODEL 27 1 H ALA 2 H ALA 2 4.073 -18.993 6.246 2 HA ALA 2 HA ALA 2 4.012 -19.327 3.532 3 1HB ALA 2 1HB ALA 2 2.454 -21.240 4.079 4 2HB ALA 2 2HB ALA 2 1.311 -20.044 4.737 5 3HB ALA 2 3HB ALA 2 1.750 -20.000 3.013 6 H ASP 3 H ASP 3 1.790 -18.278 6.214 7 HA ASP 3 HA ASP 3 1.143 -15.893 4.893 8 1HB ASP 3 2HB ASP 3 0.983 -16.058 7.889 9 2HB ASP 3 1HB ASP 3 -0.208 -15.464 6.748 10 H GLU 4 H GLU 4 1.606 -13.658 6.024 11 HA GLU 4 HA GLU 4 2.920 -12.247 7.126 12 1HB GLU 4 2HB GLU 4 3.792 -14.485 8.374 13 2HB GLU 4 1HB GLU 4 5.242 -14.121 7.460 14 1HG GLU 4 2HG GLU 4 5.785 -12.595 9.046 15 2HG GLU 4 1HG GLU 4 4.433 -11.620 8.502 16 H ALA 5 H ALA 5 4.073 -14.495 4.643 17 HA ALA 5 HA ALA 5 6.255 -12.935 3.762 18 1HB ALA 5 1HB ALA 5 4.675 -15.293 2.831 19 2HB ALA 5 2HB ALA 5 5.588 -14.400 1.593 20 3HB ALA 5 3HB ALA 5 6.435 -15.089 2.997 21 H ILE 6 H ILE 6 2.907 -12.350 3.759 22 HA ILE 6 HA ILE 6 2.986 -10.871 1.251 23 HB ILE 6 HB ILE 6 0.926 -12.098 2.942 24 1HG1 ILE 6 2HG1 ILE 6 1.238 -11.469 -0.003 25 2HG1 ILE 6 1HG1 ILE 6 1.429 -13.022 0.787 26 1HG2 ILE 6 1HG2 ILE 6 -0.849 -10.524 2.215 27 2HG2 ILE 6 2HG2 ILE 6 0.298 -9.812 3.375 28 3HG2 ILE 6 3HG2 ILE 6 0.415 -9.407 1.646 29 1HD1 ILE 6 1HD1 ILE 6 -1.096 -11.501 0.162 30 2HD1 ILE 6 2HD1 ILE 6 -0.745 -13.237 -0.018 31 3HD1 ILE 6 3HD1 ILE 6 -1.082 -12.560 1.593 32 H LYS 7 H LYS 7 2.052 -10.321 4.723 33 HA LYS 7 HA LYS 7 1.848 -7.584 4.553 34 1HB LYS 7 2HB LYS 7 1.506 -9.465 6.497 35 2HB LYS 7 1HB LYS 7 2.956 -8.668 7.075 36 1HG LYS 7 2HG LYS 7 1.349 -6.520 6.268 37 2HG LYS 7 1HG LYS 7 0.183 -7.648 6.931 38 1HD LYS 7 2HD LYS 7 1.833 -7.861 8.955 39 2HD LYS 7 1HD LYS 7 2.588 -6.411 8.322 40 1HE LYS 7 2HE LYS 7 0.362 -5.237 8.409 41 2HE LYS 7 1HE LYS 7 -0.358 -6.682 9.091 42 1HZ LYS 7 1HZ LYS 7 0.236 -5.785 11.012 43 2HZ LYS 7 2HZ LYS 7 1.759 -6.270 10.677 44 3HZ LYS 7 3HZ LYS 7 1.298 -4.738 10.346 45 H ASN 8 H ASN 8 4.726 -9.681 4.846 46 HA ASN 8 HA ASN 8 6.487 -7.635 5.517 47 1HB ASN 8 2HB ASN 8 6.653 -10.380 5.270 48 2HB ASN 8 1HB ASN 8 7.512 -9.889 3.824 49 1HD2 ASN 8 1HD2 ASN 8 8.762 -11.238 5.845 50 2HD2 ASN 8 2HD2 ASN 8 9.922 -10.227 6.641 51 H GLY 9 H GLY 9 5.852 -9.381 2.372 52 1HA GLY 9 2HA GLY 9 7.465 -7.810 0.737 53 2HA GLY 9 1HA GLY 9 6.076 -8.749 0.228 54 H VAL 10 H VAL 10 3.980 -7.456 1.672 55 HA VAL 10 HA VAL 10 3.378 -5.367 -0.041 56 HB VAL 10 HB VAL 10 2.040 -6.884 1.737 57 1HG1 VAL 10 1HG1 VAL 10 1.682 -4.208 3.026 58 2HG1 VAL 10 2HG1 VAL 10 1.433 -5.841 3.687 59 3HG1 VAL 10 3HG1 VAL 10 3.082 -5.194 3.510 60 1HG2 VAL 10 1HG2 VAL 10 0.181 -5.945 0.825 61 2HG2 VAL 10 2HG2 VAL 10 0.728 -4.281 1.140 62 3HG2 VAL 10 3HG2 VAL 10 1.379 -5.184 -0.250 63 H LEU 11 H LEU 11 5.260 -5.474 2.954 64 HA LEU 11 HA LEU 11 5.170 -2.598 3.240 65 1HB LEU 11 2HB LEU 11 5.254 -4.485 5.069 66 2HB LEU 11 1HB LEU 11 6.982 -4.400 4.791 67 HG LEU 11 HG LEU 11 7.098 -2.135 5.509 68 1HD1 LEU 11 1HD1 LEU 11 5.367 -0.917 4.665 69 2HD1 LEU 11 2HD1 LEU 11 4.149 -2.153 5.062 70 3HD1 LEU 11 3HD1 LEU 11 4.798 -1.099 6.343 71 1HD2 LEU 11 1HD2 LEU 11 6.142 -4.205 7.172 72 2HD2 LEU 11 2HD2 LEU 11 7.062 -2.753 7.638 73 3HD2 LEU 11 3HD2 LEU 11 5.282 -2.723 7.658 74 H ASP 12 H ASP 12 7.516 -5.195 2.332 75 HA ASP 12 HA ASP 12 9.691 -3.577 2.012 76 1HB ASP 12 2HB ASP 12 9.214 -6.227 1.717 77 2HB ASP 12 1HB ASP 12 9.219 -5.786 0.021 78 H ILE 13 H ILE 13 6.828 -4.159 -0.034 79 HA ILE 13 HA ILE 13 7.999 -2.839 -2.320 80 HB ILE 13 HB ILE 13 5.621 -4.458 -1.726 81 1HG1 ILE 13 2HG1 ILE 13 6.606 -4.338 -4.474 82 2HG1 ILE 13 1HG1 ILE 13 7.896 -4.630 -3.325 83 1HG2 ILE 13 1HG2 ILE 13 4.331 -3.589 -3.643 84 2HG2 ILE 13 2HG2 ILE 13 4.467 -2.411 -2.315 85 3HG2 ILE 13 3HG2 ILE 13 5.472 -2.229 -3.773 86 1HD1 ILE 13 1HD1 ILE 13 7.045 -6.796 -3.882 87 2HD1 ILE 13 2HD1 ILE 13 6.370 -6.433 -2.275 88 3HD1 ILE 13 3HD1 ILE 13 5.356 -6.256 -3.727 89 H LEU 14 H LEU 14 6.288 -2.021 0.592 90 HA LEU 14 HA LEU 14 5.196 0.410 -0.526 91 1HB LEU 14 2HB LEU 14 4.820 -1.223 1.849 92 2HB LEU 14 1HB LEU 14 4.956 0.479 2.246 93 HG LEU 14 HG LEU 14 2.622 -0.342 1.899 94 1HD1 LEU 14 1HD1 LEU 14 3.792 1.948 0.359 95 2HD1 LEU 14 2HD1 LEU 14 2.060 1.568 0.195 96 3HD1 LEU 14 3HD1 LEU 14 2.739 1.953 1.795 97 1HD2 LEU 14 1HD2 LEU 14 2.297 -1.738 0.187 98 2HD2 LEU 14 2HD2 LEU 14 2.251 -0.278 -0.831 99 3HD2 LEU 14 3HD2 LEU 14 3.768 -1.194 -0.657 100 H ALA 15 H ALA 15 7.664 -0.553 1.955 101 HA ALA 15 HA ALA 15 8.562 2.055 2.413 102 1HB ALA 15 1HB ALA 15 8.928 0.038 3.867 103 2HB ALA 15 2HB ALA 15 10.099 -0.561 2.668 104 3HB ALA 15 3HB ALA 15 10.416 0.958 3.538 105 H ASP 16 H ASP 16 9.336 -0.407 -0.059 106 HA ASP 16 HA ASP 16 11.662 0.841 -0.956 107 1HB ASP 16 2HB ASP 16 9.710 -1.177 -2.068 108 2HB ASP 16 1HB ASP 16 10.880 -0.474 -3.167 109 H LEU 17 H LEU 17 8.158 1.124 -1.690 110 HA LEU 17 HA LEU 17 8.408 2.632 -4.043 111 1HB LEU 17 2HB LEU 17 6.351 1.584 -2.380 112 2HB LEU 17 1HB LEU 17 6.019 3.287 -2.624 113 HG LEU 17 HG LEU 17 6.498 1.281 -4.846 114 1HD1 LEU 17 1HD1 LEU 17 4.336 1.194 -3.313 115 2HD1 LEU 17 2HD1 LEU 17 3.832 2.536 -4.368 116 3HD1 LEU 17 3HD1 LEU 17 4.251 0.958 -5.076 117 1HD2 LEU 17 1HD2 LEU 17 5.517 4.145 -4.989 118 2HD2 LEU 17 2HD2 LEU 17 7.149 3.585 -5.426 119 3HD2 LEU 17 3HD2 LEU 17 5.736 3.024 -6.354 120 H THR 18 H THR 18 7.673 3.667 -0.634 121 HA THR 18 HA THR 18 7.856 6.406 -1.197 122 HB THR 18 HB THR 18 7.765 6.606 1.231 123 HG1 THR 18 1HG THR 18 8.775 3.869 0.954 124 1HG2 THR 18 1HG2 THR 18 6.515 3.910 1.183 125 2HG2 THR 18 2HG2 THR 18 5.784 5.485 1.577 126 3HG2 THR 18 3HG2 THR 18 5.947 4.979 -0.122 127 H GLY 19 H GLY 19 10.324 3.952 -0.435 128 1HA GLY 19 2HA GLY 19 12.550 4.135 -0.991 129 2HA GLY 19 1HA GLY 19 12.372 5.861 -1.228 130 H SER 20 H SER 20 10.830 4.825 1.677 131 HA SER 20 HA SER 20 13.233 5.084 3.240 132 1HB SER 20 2HB SER 20 10.871 6.990 3.544 133 2HB SER 20 1HB SER 20 12.195 6.866 4.686 134 HG SER 20 HG SER 20 13.438 8.050 3.401 135 H ASP 21 H ASP 21 12.929 4.311 5.470 136 HA ASP 21 HA ASP 21 10.821 2.385 5.566 137 1HB ASP 21 2HB ASP 21 12.001 2.049 7.945 138 2HB ASP 21 1HB ASP 21 12.734 1.441 6.473 139 H ASP 22 H ASP 22 9.604 4.858 5.557 140 HA ASP 22 HA ASP 22 9.300 5.732 8.278 141 1HB ASP 22 2HB ASP 22 9.383 7.194 6.084 142 2HB ASP 22 1HB ASP 22 7.704 6.727 5.892 143 H VAL 23 H VAL 23 7.611 3.962 5.665 144 HA VAL 23 HA VAL 23 5.164 3.826 7.230 145 HB VAL 23 HB VAL 23 4.169 2.929 5.274 146 1HG1 VAL 23 1HG1 VAL 23 4.255 5.228 4.980 147 2HG1 VAL 23 2HG1 VAL 23 6.028 5.253 4.831 148 3HG1 VAL 23 3HG1 VAL 23 5.031 4.643 3.488 149 1HG2 VAL 23 1HG2 VAL 23 5.689 2.595 3.187 150 2HG2 VAL 23 2HG2 VAL 23 7.004 2.440 4.377 151 3HG2 VAL 23 3HG2 VAL 23 5.622 1.319 4.425 152 H LYS 24 H LYS 24 8.066 1.991 6.428 153 HA LYS 24 HA LYS 24 7.225 -0.584 6.762 154 1HB LYS 24 2HB LYS 24 9.452 -0.082 6.043 155 2HB LYS 24 1HB LYS 24 9.819 0.773 7.527 156 1HG LYS 24 2HG LYS 24 8.965 -2.137 7.631 157 2HG LYS 24 1HG LYS 24 10.621 -1.727 7.232 158 1HD LYS 24 2HD LYS 24 9.800 -0.157 9.531 159 2HD LYS 24 1HD LYS 24 9.413 -1.839 9.831 160 1HE LYS 24 2HE LYS 24 12.088 -1.443 8.602 161 2HE LYS 24 1HE LYS 24 11.922 -0.684 10.172 162 1HZ LYS 24 1HZ LYS 24 11.709 -3.498 9.485 163 2HZ LYS 24 2HZ LYS 24 12.510 -2.793 10.721 164 3HZ LYS 24 3HZ LYS 24 10.885 -2.948 10.784 165 H LYS 25 H LYS 25 7.334 2.022 9.102 166 HA LYS 25 HA LYS 25 6.911 0.082 11.259 167 1HB LYS 25 2HB LYS 25 8.783 1.706 11.509 168 2HB LYS 25 1HB LYS 25 7.630 3.023 11.434 169 1HG LYS 25 2HG LYS 25 7.290 0.772 13.450 170 2HG LYS 25 1HG LYS 25 8.353 2.123 13.788 171 1HD LYS 25 2HD LYS 25 6.185 3.536 13.001 172 2HD LYS 25 1HD LYS 25 5.354 2.083 13.519 173 1HE LYS 25 2HE LYS 25 6.229 2.257 15.766 174 2HE LYS 25 1HE LYS 25 7.413 3.460 15.293 175 1HZ LYS 25 1HZ LYS 25 4.499 3.814 15.366 176 2HZ LYS 25 2HZ LYS 25 5.604 4.540 16.324 177 3HZ LYS 25 3HZ LYS 25 5.526 4.918 14.737 178 H ASN 26 H ASN 26 5.824 3.503 10.880 179 HA ASN 26 HA ASN 26 3.443 3.134 12.100 180 1HB ASN 26 2HB ASN 26 4.503 5.096 10.070 181 2HB ASN 26 1HB ASN 26 2.774 5.120 10.354 182 1HD2 ASN 26 1HD2 ASN 26 5.942 5.599 11.713 183 2HD2 ASN 26 2HD2 ASN 26 5.476 6.435 13.157 184 H LEU 27 H LEU 27 1.475 2.182 11.484 185 HA LEU 27 HA LEU 27 1.355 1.103 8.782 186 1HB LEU 27 2HB LEU 27 -0.540 0.545 11.052 187 2HB LEU 27 1HB LEU 27 -0.269 -0.400 9.602 188 HG LEU 27 HG LEU 27 2.219 -0.199 11.007 189 1HD1 LEU 27 1HD1 LEU 27 0.373 -1.626 12.824 190 2HD1 LEU 27 2HD1 LEU 27 1.827 -0.661 13.176 191 3HD1 LEU 27 3HD1 LEU 27 0.276 0.152 12.860 192 1HD2 LEU 27 1HD2 LEU 27 0.339 -2.533 10.551 193 2HD2 LEU 27 2HD2 LEU 27 1.619 -1.973 9.448 194 3HD2 LEU 27 3HD2 LEU 27 2.048 -2.646 11.039 195 H ASP 28 H ASP 28 0.520 3.925 10.379 196 HA ASP 28 HA ASP 28 -1.736 4.273 8.567 197 1HB ASP 28 2HB ASP 28 -1.398 4.985 11.469 198 2HB ASP 28 1HB ASP 28 -2.261 6.139 10.473 199 H LEU 29 H LEU 29 0.984 4.792 7.860 200 HA LEU 29 HA LEU 29 1.384 7.639 8.313 201 1HB LEU 29 2HB LEU 29 3.243 6.095 8.683 202 2HB LEU 29 1HB LEU 29 3.137 5.542 7.023 203 HG LEU 29 HG LEU 29 3.650 7.901 6.286 204 1HD1 LEU 29 1HD1 LEU 29 2.987 8.771 8.669 205 2HD1 LEU 29 2HD1 LEU 29 4.696 8.443 9.041 206 3HD1 LEU 29 3HD1 LEU 29 4.271 9.574 7.734 207 1HD2 LEU 29 1HD2 LEU 29 5.296 5.902 6.644 208 2HD2 LEU 29 2HD2 LEU 29 5.924 7.536 6.320 209 3HD2 LEU 29 3HD2 LEU 29 5.913 6.899 7.983 210 H ASN 30 H ASN 30 0.014 8.822 7.037 211 HA ASN 30 HA ASN 30 -1.181 8.202 4.791 212 1HB ASN 30 2HB ASN 30 0.275 10.878 5.031 213 2HB ASN 30 1HB ASN 30 -1.263 10.575 4.246 214 1HD2 ASN 30 1HD2 ASN 30 -2.843 9.328 5.804 215 2HD2 ASN 30 2HD2 ASN 30 -3.074 10.064 7.355 216 H LEU 31 H LEU 31 -0.582 7.619 2.685 217 HA LEU 31 HA LEU 31 2.244 7.713 2.050 218 1HB LEU 31 2HB LEU 31 -0.147 6.362 0.811 219 2HB LEU 31 1HB LEU 31 1.425 6.388 0.036 220 HG LEU 31 HG LEU 31 1.494 5.469 2.835 221 1HD1 LEU 31 1HD1 LEU 31 -0.538 4.410 1.064 222 2HD1 LEU 31 2HD1 LEU 31 0.642 3.156 1.514 223 3HD1 LEU 31 3HD1 LEU 31 -0.223 4.061 2.780 224 1HD2 LEU 31 1HD2 LEU 31 3.369 5.426 1.128 225 2HD2 LEU 31 2HD2 LEU 31 3.069 3.913 2.015 226 3HD2 LEU 31 3HD2 LEU 31 2.495 4.092 0.339 227 H PHE 32 H PHE 32 -0.608 9.593 1.595 228 HA PHE 32 HA PHE 32 0.595 10.864 -0.758 229 1HB PHE 32 2HB PHE 32 -2.230 10.621 0.409 230 2HB PHE 32 1HB PHE 32 -1.871 11.827 -0.810 231 HD1 PHE 32 1HD PHE 32 -2.080 8.209 -0.156 232 HD2 PHE 32 2HD PHE 32 -1.609 11.221 -3.108 233 HE1 PHE 32 1HE PHE 32 -2.476 6.507 -1.958 234 HE2 PHE 32 2HE PHE 32 -2.005 9.519 -4.910 235 HZ PHE 32 HZ PHE 32 -2.434 7.181 -4.313 236 H GLU 33 H GLU 33 -0.658 11.314 2.556 237 HA GLU 33 HA GLU 33 -0.427 14.145 2.389 238 1HB GLU 33 2HB GLU 33 -1.917 12.499 3.950 239 2HB GLU 33 1HB GLU 33 -0.577 12.765 5.046 240 1HG GLU 33 2HG GLU 33 -1.378 15.287 3.801 241 2HG GLU 33 1HG GLU 33 -2.763 14.514 4.546 242 H THR 34 H THR 34 1.758 11.545 2.767 243 HA THR 34 HA THR 34 3.622 13.143 4.368 244 HB THR 34 HB THR 34 3.665 10.213 3.469 245 HG1 THR 34 1HG THR 34 3.015 11.690 5.923 246 1HG2 THR 34 1HG2 THR 34 5.206 11.560 5.737 247 2HG2 THR 34 2HG2 THR 34 5.427 9.915 5.096 248 3HG2 THR 34 3HG2 THR 34 5.920 11.322 4.124 249 H GLY 35 H GLY 35 2.786 12.490 1.115 250 1HA GLY 35 2HA GLY 35 3.763 13.284 -0.768 251 2HA GLY 35 1HA GLY 35 5.085 13.928 0.183 252 H LEU 36 H LEU 36 4.370 10.588 0.852 253 HA LEU 36 HA LEU 36 6.889 9.824 -0.294 254 1HB LEU 36 2HB LEU 36 4.797 8.462 1.381 255 2HB LEU 36 1HB LEU 36 6.104 7.553 0.647 256 HG LEU 36 HG LEU 36 6.294 9.733 2.731 257 1HD1 LEU 36 1HD1 LEU 36 6.000 7.005 2.974 258 2HD1 LEU 36 2HD1 LEU 36 7.759 7.229 3.128 259 3HD1 LEU 36 3HD1 LEU 36 6.652 8.103 4.213 260 1HD2 LEU 36 1HD2 LEU 36 8.837 9.163 2.539 261 2HD2 LEU 36 2HD2 LEU 36 8.412 8.692 0.876 262 3HD2 LEU 36 3HD2 LEU 36 8.100 10.352 1.438 263 H LEU 37 H LEU 37 3.450 9.679 -1.111 264 HA LEU 37 HA LEU 37 4.192 8.126 -3.494 265 1HB LEU 37 2HB LEU 37 2.427 7.381 -1.531 266 2HB LEU 37 1HB LEU 37 1.365 8.133 -2.704 267 HG LEU 37 HG LEU 37 1.724 5.617 -2.882 268 1HD1 LEU 37 1HD1 LEU 37 1.253 7.583 -4.814 269 2HD1 LEU 37 2HD1 LEU 37 2.434 6.477 -5.556 270 3HD1 LEU 37 3HD1 LEU 37 0.893 5.843 -4.928 271 1HD2 LEU 37 1HD2 LEU 37 4.137 5.996 -4.523 272 2HD2 LEU 37 2HD2 LEU 37 4.385 6.234 -2.776 273 3HD2 LEU 37 3HD2 LEU 37 3.708 4.702 -3.379 274 H ASP 38 H ASP 38 2.849 8.659 -5.453 275 HA ASP 38 HA ASP 38 2.001 11.443 -5.333 276 1HB ASP 38 2HB ASP 38 4.295 10.723 -6.555 277 2HB ASP 38 1HB ASP 38 3.199 10.306 -7.857 278 H SER 39 H SER 39 1.967 8.267 -7.087 279 HA SER 39 HA SER 39 -0.650 7.881 -7.195 280 1HB SER 39 2HB SER 39 -0.967 8.671 -9.774 281 2HB SER 39 1HB SER 39 -1.457 9.648 -8.406 282 HG SER 39 HG SER 39 1.249 9.923 -9.186 283 H MET 40 H MET 40 2.083 8.154 -9.580 284 HA MET 40 HA MET 40 1.488 5.864 -10.977 285 1HB MET 40 2HB MET 40 3.343 7.856 -11.175 286 2HB MET 40 1HB MET 40 4.375 6.619 -10.484 287 1HG MET 40 2HG MET 40 4.540 5.577 -12.494 288 2HG MET 40 1HG MET 40 2.799 5.400 -12.584 289 1HE MET 40 1HE MET 40 1.251 6.778 -13.413 290 2HE MET 40 2HE MET 40 1.527 8.518 -13.157 291 3HE MET 40 3HE MET 40 1.481 7.858 -14.809 292 H GLY 41 H GLY 41 2.860 6.284 -7.775 293 1HA GLY 41 2HA GLY 41 4.331 3.892 -7.561 294 2HA GLY 41 1HA GLY 41 3.658 4.838 -6.249 295 H THR 42 H THR 42 0.937 4.733 -6.544 296 HA THR 42 HA THR 42 0.249 2.271 -5.522 297 HB THR 42 HB THR 42 -1.040 4.752 -6.441 298 HG1 THR 42 1HG THR 42 -0.695 3.729 -4.235 299 1HG2 THR 42 1HG2 THR 42 -2.558 2.100 -6.658 300 2HG2 THR 42 2HG2 THR 42 -3.338 3.696 -6.544 301 3HG2 THR 42 3HG2 THR 42 -2.336 3.293 -7.959 302 H VAL 43 H VAL 43 0.157 3.392 -8.945 303 HA VAL 43 HA VAL 43 -1.139 1.183 -9.987 304 HB VAL 43 HB VAL 43 0.987 2.984 -11.162 305 1HG1 VAL 43 1HG1 VAL 43 -0.905 1.043 -12.531 306 2HG1 VAL 43 2HG1 VAL 43 0.056 2.286 -13.368 307 3HG1 VAL 43 3HG1 VAL 43 0.873 0.967 -12.495 308 1HG2 VAL 43 1HG2 VAL 43 -1.806 3.294 -12.027 309 2HG2 VAL 43 2HG2 VAL 43 -1.546 3.638 -10.300 310 3HG2 VAL 43 3HG2 VAL 43 -0.613 4.519 -11.533 311 H GLN 44 H GLN 44 2.427 1.794 -9.628 312 HA GLN 44 HA GLN 44 3.170 -0.683 -10.596 313 1HB GLN 44 2HB GLN 44 4.650 1.346 -10.268 314 2HB GLN 44 1HB GLN 44 4.658 1.017 -8.547 315 1HG GLN 44 2HG GLN 44 5.978 -0.896 -8.766 316 2HG GLN 44 1HG GLN 44 5.377 -1.265 -10.370 317 1HE2 GLN 44 1HE2 GLN 44 7.585 0.644 -8.468 318 2HE2 GLN 44 2HE2 GLN 44 8.614 1.192 -9.749 319 H LEU 45 H LEU 45 2.795 0.477 -7.169 320 HA LEU 45 HA LEU 45 3.476 -1.810 -5.866 321 1HB LEU 45 2HB LEU 45 3.041 -0.394 -4.240 322 2HB LEU 45 1HB LEU 45 2.095 0.628 -5.304 323 HG LEU 45 HG LEU 45 0.136 -0.953 -4.872 324 1HD1 LEU 45 1HD1 LEU 45 0.628 -1.939 -2.382 325 2HD1 LEU 45 2HD1 LEU 45 0.726 -2.882 -3.888 326 3HD1 LEU 45 3HD1 LEU 45 2.202 -2.191 -3.173 327 1HD2 LEU 45 1HD2 LEU 45 0.099 0.032 -2.331 328 2HD2 LEU 45 2HD2 LEU 45 1.314 1.084 -3.098 329 3HD2 LEU 45 3HD2 LEU 45 -0.321 0.959 -3.792 330 H LEU 46 H LEU 46 0.474 -1.063 -7.654 331 HA LEU 46 HA LEU 46 -0.961 -3.293 -6.687 332 1HB LEU 46 2HB LEU 46 -1.253 -1.304 -8.889 333 2HB LEU 46 1HB LEU 46 -2.203 -2.774 -8.973 334 HG LEU 46 HG LEU 46 -2.284 -0.612 -6.868 335 1HD1 LEU 46 1HD1 LEU 46 -4.452 -0.199 -7.571 336 2HD1 LEU 46 2HD1 LEU 46 -3.616 -0.574 -9.098 337 3HD1 LEU 46 3HD1 LEU 46 -4.634 -1.807 -8.314 338 1HD2 LEU 46 1HD2 LEU 46 -4.063 -2.129 -5.789 339 2HD2 LEU 46 2HD2 LEU 46 -3.270 -3.452 -6.675 340 3HD2 LEU 46 3HD2 LEU 46 -2.346 -2.494 -5.493 341 H LEU 47 H LEU 47 1.297 -2.725 -9.411 342 HA LEU 47 HA LEU 47 0.795 -5.072 -10.804 343 1HB LEU 47 2HB LEU 47 2.421 -2.884 -11.071 344 2HB LEU 47 1HB LEU 47 3.585 -4.154 -10.749 345 HG LEU 47 HG LEU 47 3.313 -3.875 -13.129 346 1HD1 LEU 47 1HD1 LEU 47 3.639 -6.172 -12.136 347 2HD1 LEU 47 2HD1 LEU 47 1.898 -6.443 -12.386 348 3HD1 LEU 47 3HD1 LEU 47 2.959 -6.129 -13.781 349 1HD2 LEU 47 1HD2 LEU 47 1.102 -2.883 -13.197 350 2HD2 LEU 47 2HD2 LEU 47 1.165 -4.306 -14.264 351 3HD2 LEU 47 3HD2 LEU 47 0.365 -4.417 -12.678 352 H GLU 48 H GLU 48 2.808 -4.395 -7.915 353 HA GLU 48 HA GLU 48 3.830 -7.065 -7.943 354 1HB GLU 48 2HB GLU 48 4.516 -4.563 -6.697 355 2HB GLU 48 1HB GLU 48 4.285 -5.742 -5.421 356 1HG GLU 48 2HG GLU 48 6.558 -6.037 -5.993 357 2HG GLU 48 1HG GLU 48 5.768 -7.330 -6.874 358 H LEU 49 H LEU 49 1.088 -5.314 -6.636 359 HA LEU 49 HA LEU 49 0.605 -7.232 -4.542 360 1HB LEU 49 2HB LEU 49 -0.349 -4.603 -5.326 361 2HB LEU 49 1HB LEU 49 -1.676 -5.674 -4.923 362 HG LEU 49 HG LEU 49 0.691 -5.054 -3.133 363 1HD1 LEU 49 1HD1 LEU 49 -1.213 -3.290 -3.665 364 2HD1 LEU 49 2HD1 LEU 49 -2.105 -4.253 -2.462 365 3HD1 LEU 49 3HD1 LEU 49 -0.555 -3.498 -2.024 366 1HD2 LEU 49 1HD2 LEU 49 -0.038 -6.560 -1.615 367 2HD2 LEU 49 2HD2 LEU 49 -1.751 -6.334 -2.042 368 3HD2 LEU 49 3HD2 LEU 49 -0.707 -7.353 -3.061 369 H GLN 50 H GLN 50 0.258 -7.160 -7.915 370 HA GLN 50 HA GLN 50 -1.997 -9.002 -7.731 371 1HB GLN 50 2HB GLN 50 -2.330 -6.876 -9.088 372 2HB GLN 50 1HB GLN 50 -1.087 -7.441 -10.186 373 1HG GLN 50 2HG GLN 50 -2.739 -9.671 -10.005 374 2HG GLN 50 1HG GLN 50 -3.894 -8.359 -9.882 375 1HE2 GLN 50 1HE2 GLN 50 -4.000 -6.775 -11.528 376 2HE2 GLN 50 2HE2 GLN 50 -3.490 -7.110 -13.150 377 H SER 51 H SER 51 1.047 -9.386 -7.385 378 HA SER 51 HA SER 51 1.252 -11.464 -9.419 379 1HB SER 51 2HB SER 51 2.801 -9.533 -9.874 380 2HB SER 51 1HB SER 51 3.555 -9.794 -8.314 381 HG SER 51 HG SER 51 4.825 -10.892 -9.810 382 H GLN 52 H GLN 52 2.672 -10.271 -6.282 383 HA GLN 52 HA GLN 52 3.198 -12.981 -5.520 384 1HB GLN 52 2HB GLN 52 3.651 -10.314 -4.118 385 2HB GLN 52 1HB GLN 52 4.090 -11.856 -3.412 386 1HG GLN 52 2HG GLN 52 5.053 -11.419 -6.208 387 2HG GLN 52 1HG GLN 52 5.763 -10.364 -5.002 388 1HE2 GLN 52 1HE2 GLN 52 7.344 -11.084 -3.764 389 2HE2 GLN 52 2HE2 GLN 52 7.881 -12.725 -3.624 390 H PHE 53 H PHE 53 0.675 -10.589 -5.164 391 HA PHE 53 HA PHE 53 -0.546 -12.253 -3.074 392 1HB PHE 53 2HB PHE 53 -1.202 -9.343 -3.759 393 2HB PHE 53 1HB PHE 53 -1.540 -10.181 -2.258 394 HD1 PHE 53 1HD PHE 53 1.332 -9.042 -4.345 395 HD2 PHE 53 2HD PHE 53 -0.123 -9.880 -0.448 396 HE1 PHE 53 1HE PHE 53 3.450 -8.128 -3.358 397 HE2 PHE 53 2HE PHE 53 1.997 -8.967 0.540 398 HZ PHE 53 HZ PHE 53 3.758 -8.101 -0.927 399 H GLY 54 H GLY 54 -0.768 -10.846 -6.286 400 1HA GLY 54 2HA GLY 54 -2.316 -11.004 -7.907 401 2HA GLY 54 1HA GLY 54 -2.866 -12.465 -7.111 402 H VAL 55 H VAL 55 -2.879 -9.007 -6.000 403 HA VAL 55 HA VAL 55 -5.532 -9.296 -5.011 404 HB VAL 55 HB VAL 55 -3.585 -7.859 -4.147 405 1HG1 VAL 55 1HG1 VAL 55 -2.969 -6.666 -6.130 406 2HG1 VAL 55 2HG1 VAL 55 -4.633 -6.081 -6.369 407 3HG1 VAL 55 3HG1 VAL 55 -3.669 -5.487 -4.996 408 1HG2 VAL 55 1HG2 VAL 55 -5.963 -6.102 -4.225 409 2HG2 VAL 55 2HG2 VAL 55 -6.280 -7.781 -3.729 410 3HG2 VAL 55 3HG2 VAL 55 -5.091 -6.800 -2.839 411 H ASP 56 H ASP 56 -7.307 -7.700 -5.658 412 HA ASP 56 HA ASP 56 -7.192 -7.325 -8.548 413 1HB ASP 56 2HB ASP 56 -9.083 -8.815 -6.892 414 2HB ASP 56 1HB ASP 56 -9.919 -7.526 -7.734 415 H ALA 57 H ALA 57 -6.517 -5.472 -6.285 416 HA ALA 57 HA ALA 57 -8.462 -3.801 -5.439 417 1HB ALA 57 1HB ALA 57 -6.730 -2.182 -5.147 418 2HB ALA 57 2HB ALA 57 -5.944 -3.772 -4.994 419 3HB ALA 57 3HB ALA 57 -5.784 -2.842 -6.504 420 HA PRO 58 HA PRO 58 -10.099 -2.049 -9.058 421 1HB PRO 58 2HB PRO 58 -11.687 -0.136 -7.923 422 2HB PRO 58 1HB PRO 58 -12.172 -1.812 -8.083 423 1HG PRO 58 2HG PRO 58 -11.287 -0.361 -5.664 424 2HG PRO 58 1HG PRO 58 -12.165 -1.873 -5.778 425 1HD PRO 58 2HD PRO 58 -9.379 -1.546 -5.180 426 2HD PRO 58 1HD PRO 58 -10.232 -3.061 -5.408 427 H VAL 59 H VAL 59 -10.684 0.373 -9.892 428 HA VAL 59 HA VAL 59 -8.649 2.208 -9.063 429 HB VAL 59 HB VAL 59 -8.464 0.772 -11.711 430 1HG1 VAL 59 1HG1 VAL 59 -6.848 3.209 -10.915 431 2HG1 VAL 59 2HG1 VAL 59 -6.896 2.384 -12.493 432 3HG1 VAL 59 3HG1 VAL 59 -8.313 3.299 -11.923 433 1HG2 VAL 59 1HG2 VAL 59 -7.230 -0.409 -10.086 434 2HG2 VAL 59 2HG2 VAL 59 -6.026 0.597 -10.926 435 3HG2 VAL 59 3HG2 VAL 59 -6.632 1.086 -9.326 436 H SER 60 H SER 60 -11.114 1.190 -11.492 437 HA SER 60 HA SER 60 -11.719 3.327 -12.816 438 1HB SER 60 2HB SER 60 -14.179 2.763 -12.518 439 2HB SER 60 1HB SER 60 -13.157 1.409 -12.954 440 HG SER 60 HG SER 60 -13.501 0.467 -11.037 441 H GLU 61 H GLU 61 -12.427 2.923 -9.301 442 HA GLU 61 HA GLU 61 -12.045 5.526 -8.664 443 1HB GLU 61 2HB GLU 61 -14.426 5.374 -10.127 444 2HB GLU 61 1HB GLU 61 -14.984 5.388 -8.466 445 1HG GLU 61 2HG GLU 61 -13.864 7.472 -7.993 446 2HG GLU 61 1HG GLU 61 -12.904 7.379 -9.457 447 H PHE 62 H PHE 62 -11.083 4.282 -6.937 448 HA PHE 62 HA PHE 62 -13.022 2.990 -5.164 449 1HB PHE 62 2HB PHE 62 -10.860 1.989 -4.223 450 2HB PHE 62 1HB PHE 62 -11.126 1.591 -5.908 451 HD1 PHE 62 1HD PHE 62 -9.317 1.775 -7.316 452 HD2 PHE 62 2HD PHE 62 -9.491 4.292 -3.904 453 HE1 PHE 62 1HE PHE 62 -7.062 2.713 -7.892 454 HE2 PHE 62 2HE PHE 62 -7.235 5.230 -4.480 455 HZ PHE 62 HZ PHE 62 -6.047 4.429 -6.469 456 H ASP 63 H ASP 63 -11.610 3.034 -2.765 457 HA ASP 63 HA ASP 63 -11.903 5.825 -2.118 458 1HB ASP 63 2HB ASP 63 -11.165 4.216 0.162 459 2HB ASP 63 1HB ASP 63 -12.696 5.006 -0.159 460 H ARG 64 H ARG 64 -9.975 6.968 -2.503 461 HA ARG 64 HA ARG 64 -7.491 5.832 -2.565 462 1HB ARG 64 2HB ARG 64 -8.584 8.620 -2.336 463 2HB ARG 64 1HB ARG 64 -6.895 8.428 -1.911 464 1HG ARG 64 2HG ARG 64 -7.855 7.119 -4.453 465 2HG ARG 64 1HG ARG 64 -7.684 8.864 -4.451 466 1HD ARG 64 2HD ARG 64 -5.493 6.861 -3.719 467 2HD ARG 64 1HD ARG 64 -5.588 7.766 -5.215 468 HE ARG 64 HE ARG 64 -4.683 8.772 -2.630 469 1HH1 ARG 64 2HH2 ARG 64 -6.126 9.707 -5.700 470 2HH1 ARG 64 1HH2 ARG 64 -5.578 11.347 -5.605 471 1HH2 ARG 64 2HH1 ARG 64 -3.959 10.936 -2.503 472 2HH2 ARG 64 1HH1 ARG 64 -4.337 12.051 -3.774 473 H LYS 65 H LYS 65 -9.348 7.303 0.137 474 HA LYS 65 HA LYS 65 -7.358 7.606 1.997 475 1HB LYS 65 2HB LYS 65 -9.271 7.129 3.654 476 2HB LYS 65 1HB LYS 65 -9.434 8.487 2.560 477 1HG LYS 65 2HG LYS 65 -10.457 6.168 1.196 478 2HG LYS 65 1HG LYS 65 -11.141 6.164 2.809 479 1HD LYS 65 2HD LYS 65 -12.594 7.454 1.302 480 2HD LYS 65 1HD LYS 65 -11.899 8.523 2.504 481 1HE LYS 65 2HE LYS 65 -10.055 9.067 0.790 482 2HE LYS 65 1HE LYS 65 -11.008 8.195 -0.395 483 1HZ LYS 65 1HZ LYS 65 -11.496 10.541 -0.401 484 2HZ LYS 65 2HZ LYS 65 -12.825 9.697 0.035 485 3HZ LYS 65 3HZ LYS 65 -11.958 10.499 1.164 486 H GLU 66 H GLU 66 -9.023 4.640 0.884 487 HA GLU 66 HA GLU 66 -7.936 3.049 2.940 488 1HB GLU 66 2HB GLU 66 -9.978 2.340 1.850 489 2HB GLU 66 1HB GLU 66 -9.234 2.397 0.265 490 1HG GLU 66 2HG GLU 66 -7.874 0.472 0.700 491 2HG GLU 66 1HG GLU 66 -8.123 0.577 2.432 492 H TRP 67 H TRP 67 -6.753 4.327 -0.094 493 HA TRP 67 HA TRP 67 -4.520 2.420 -0.034 494 1HB TRP 67 2HB TRP 67 -5.301 4.233 -2.315 495 2HB TRP 67 1HB TRP 67 -4.157 2.905 -2.336 496 HD1 TRP 67 HD TRP 67 -7.860 3.611 -2.743 497 HE1 TRP 67 1HE TRP 67 -9.229 1.436 -3.341 498 HE3 TRP 67 3HE TRP 67 -4.081 0.341 -1.807 499 HZ2 TRP 67 2HZ TRP 67 -8.593 -1.346 -3.357 500 HZ3 TRP 67 3HZ TRP 67 -4.538 -2.088 -2.139 501 HH2 TRP 67 HH TRP 67 -6.701 -2.945 -2.886 502 H ASP 68 H ASP 68 -5.165 4.930 1.668 503 HA ASP 68 HA ASP 68 -3.091 6.704 0.750 504 1HB ASP 68 2HB ASP 68 -4.902 7.951 1.561 505 2HB ASP 68 1HB ASP 68 -5.286 6.785 2.810 506 H THR 69 H THR 69 -3.918 4.372 3.357 507 HA THR 69 HA THR 69 -1.196 4.704 4.439 508 HB THR 69 HB THR 69 -2.362 3.752 6.562 509 HG1 THR 69 1HG THR 69 -4.555 3.474 6.290 510 1HG2 THR 69 1HG2 THR 69 -3.310 5.908 7.228 511 2HG2 THR 69 2HG2 THR 69 -1.865 6.241 6.242 512 3HG2 THR 69 3HG2 THR 69 -3.488 6.404 5.528 513 HA PRO 70 HA PRO 70 -0.452 0.580 3.526 514 1HB PRO 70 2HB PRO 70 1.288 -0.175 5.495 515 2HB PRO 70 1HB PRO 70 1.771 0.763 4.095 516 1HG PRO 70 2HG PRO 70 1.374 1.663 6.883 517 2HG PRO 70 1HG PRO 70 2.248 2.456 5.587 518 1HD PRO 70 2HD PRO 70 -0.360 3.140 6.568 519 2HD PRO 70 1HD PRO 70 0.466 3.856 5.198 520 H ASN 71 H ASN 71 -1.688 1.291 6.665 521 HA ASN 71 HA ASN 71 -2.184 -1.379 7.342 522 1HB ASN 71 2HB ASN 71 -2.185 0.177 9.156 523 2HB ASN 71 1HB ASN 71 -3.204 1.318 8.302 524 1HD2 ASN 71 1HD2 ASN 71 -4.861 1.516 9.661 525 2HD2 ASN 71 2HD2 ASN 71 -5.924 0.244 10.160 526 H LYS 72 H LYS 72 -4.147 1.332 5.931 527 HA LYS 72 HA LYS 72 -6.559 -0.080 5.788 528 1HB LYS 72 2HB LYS 72 -5.456 2.471 4.831 529 2HB LYS 72 1HB LYS 72 -6.663 1.792 3.758 530 1HG LYS 72 2HG LYS 72 -8.302 1.645 5.558 531 2HG LYS 72 1HG LYS 72 -7.096 2.034 6.768 532 1HD LYS 72 2HD LYS 72 -7.436 4.026 4.550 533 2HD LYS 72 1HD LYS 72 -8.770 3.890 5.678 534 1HE LYS 72 2HE LYS 72 -7.622 5.043 7.261 535 2HE LYS 72 1HE LYS 72 -6.285 3.913 7.179 536 1HZ LYS 72 1HZ LYS 72 -5.812 6.272 6.547 537 2HZ LYS 72 2HZ LYS 72 -5.302 5.143 5.484 538 3HZ LYS 72 3HZ LYS 72 -6.647 6.011 5.168 539 H ILE 73 H ILE 73 -3.653 -0.010 3.745 540 HA ILE 73 HA ILE 73 -4.981 -1.363 1.582 541 HB ILE 73 HB ILE 73 -2.126 -0.560 2.121 542 1HG1 ILE 73 2HG1 ILE 73 -4.214 0.463 0.175 543 2HG1 ILE 73 1HG1 ILE 73 -3.673 1.274 1.631 544 1HG2 ILE 73 1HG2 ILE 73 -2.675 -1.328 -0.622 545 2HG2 ILE 73 2HG2 ILE 73 -1.361 -1.833 0.468 546 3HG2 ILE 73 3HG2 ILE 73 -2.920 -2.689 0.498 547 1HD1 ILE 73 1HD1 ILE 73 -2.354 1.070 -1.010 548 2HD1 ILE 73 2HD1 ILE 73 -2.157 2.294 0.267 549 3HD1 ILE 73 3HD1 ILE 73 -1.263 0.757 0.361 550 H ILE 74 H ILE 74 -2.595 -2.153 4.183 551 HA ILE 74 HA ILE 74 -2.101 -4.757 3.489 552 HB ILE 74 HB ILE 74 -2.097 -3.202 6.030 553 1HG1 ILE 74 2HG1 ILE 74 0.082 -4.810 4.674 554 2HG1 ILE 74 1HG1 ILE 74 -0.267 -3.138 4.282 555 1HG2 ILE 74 1HG2 ILE 74 -1.300 -5.161 7.287 556 2HG2 ILE 74 2HG2 ILE 74 -2.989 -5.342 6.756 557 3HG2 ILE 74 3HG2 ILE 74 -1.689 -6.202 5.896 558 1HD1 ILE 74 1HD1 ILE 74 -0.142 -3.129 7.087 559 2HD1 ILE 74 2HD1 ILE 74 1.155 -4.246 6.599 560 3HD1 ILE 74 3HD1 ILE 74 1.137 -2.579 5.977 561 H ALA 75 H ALA 75 -4.966 -3.306 5.045 562 HA ALA 75 HA ALA 75 -6.092 -5.818 5.779 563 1HB ALA 75 1HB ALA 75 -6.562 -3.635 6.910 564 2HB ALA 75 2HB ALA 75 -7.402 -3.091 5.437 565 3HB ALA 75 3HB ALA 75 -8.037 -4.470 6.365 566 H LYS 76 H LYS 76 -5.942 -3.822 2.874 567 HA LYS 76 HA LYS 76 -8.222 -5.070 1.660 568 1HB LYS 76 2HB LYS 76 -7.247 -2.682 1.286 569 2HB LYS 76 1HB LYS 76 -6.121 -3.476 0.204 570 1HG LYS 76 2HG LYS 76 -7.979 -2.810 -1.166 571 2HG LYS 76 1HG LYS 76 -8.138 -4.544 -0.963 572 1HD LYS 76 2HD LYS 76 -9.912 -4.321 0.626 573 2HD LYS 76 1HD LYS 76 -9.535 -2.641 0.949 574 1HE LYS 76 2HE LYS 76 -10.519 -1.883 -1.057 575 2HE LYS 76 1HE LYS 76 -10.314 -3.424 -1.866 576 1HZ LYS 76 1HZ LYS 76 -12.574 -3.153 -1.284 577 2HZ LYS 76 2HZ LYS 76 -11.975 -4.325 -0.316 578 3HZ LYS 76 3HZ LYS 76 -12.229 -2.824 0.278 579 H VAL 77 H VAL 77 -4.729 -5.607 1.906 580 HA VAL 77 HA VAL 77 -4.694 -7.449 -0.298 581 HB VAL 77 HB VAL 77 -2.632 -6.968 1.859 582 1HG1 VAL 77 1HG1 VAL 77 -1.107 -7.616 -0.131 583 2HG1 VAL 77 2HG1 VAL 77 -1.999 -8.906 0.710 584 3HG1 VAL 77 3HG1 VAL 77 -2.587 -8.292 -0.853 585 1HG2 VAL 77 1HG2 VAL 77 -3.390 -5.356 -0.543 586 2HG2 VAL 77 2HG2 VAL 77 -2.769 -4.832 1.042 587 3HG2 VAL 77 3HG2 VAL 77 -1.660 -5.528 -0.163 588 H GLU 78 H GLU 78 -5.387 -7.486 3.148 589 HA GLU 78 HA GLU 78 -4.918 -10.300 3.352 590 1HB GLU 78 2HB GLU 78 -5.809 -8.105 5.213 591 2HB GLU 78 1HB GLU 78 -6.187 -9.759 5.654 592 1HG GLU 78 2HG GLU 78 -3.372 -9.030 4.788 593 2HG GLU 78 1HG GLU 78 -3.895 -8.703 6.428 594 H GLN 79 H GLN 79 -7.617 -8.049 2.782 595 HA GLN 79 HA GLN 79 -9.521 -10.187 3.098 596 1HB GLN 79 2HB GLN 79 -9.581 -7.293 3.211 597 2HB GLN 79 1HB GLN 79 -10.757 -7.836 2.029 598 1HG GLN 79 2HG GLN 79 -11.966 -9.118 3.618 599 2HG GLN 79 1HG GLN 79 -10.607 -9.221 4.721 600 1HE2 GLN 79 1HE2 GLN 79 -10.038 -7.463 6.006 601 2HE2 GLN 79 2HE2 GLN 79 -11.125 -6.160 6.350 602 H ALA 80 H ALA 80 -7.380 -10.150 0.934 603 HA ALA 80 HA ALA 80 -9.213 -10.249 -1.365 604 1HB ALA 80 1HB ALA 80 -7.841 -8.696 -2.257 605 2HB ALA 80 2HB ALA 80 -6.639 -8.904 -0.961 606 3HB ALA 80 3HB ALA 80 -6.624 -9.991 -2.371 607 H GLN 81 H GLN 81 -6.224 -11.588 0.183 608 HA GLN 81 HA GLN 81 -5.733 -13.655 -1.437 609 1HB GLN 81 2HB GLN 81 -5.663 -13.625 1.611 610 2HB GLN 81 1HB GLN 81 -4.902 -14.862 0.633 611 1HG GLN 81 2HG GLN 81 -4.251 -11.881 0.641 612 2HG GLN 81 1HG GLN 81 -3.224 -13.182 1.210 613 1HE2 GLN 81 1HE2 GLN 81 -4.564 -11.537 -1.543 614 2HE2 GLN 81 2HE2 GLN 81 -3.551 -12.222 -2.770 Start of MODEL 28 1 H ALA 2 H ALA 2 -1.589 -12.158 3.978 2 HA ALA 2 HA ALA 2 -3.366 -13.592 4.955 3 1HB ALA 2 1HB ALA 2 -3.071 -14.721 2.322 4 2HB ALA 2 2HB ALA 2 -2.703 -15.976 3.531 5 3HB ALA 2 3HB ALA 2 -4.264 -15.122 3.579 6 H ASP 3 H ASP 3 -0.303 -14.801 3.407 7 HA ASP 3 HA ASP 3 0.444 -15.987 5.893 8 1HB ASP 3 2HB ASP 3 0.969 -16.631 3.307 9 2HB ASP 3 1HB ASP 3 2.393 -15.661 3.624 10 H GLU 4 H GLU 4 3.089 -15.555 6.299 11 HA GLU 4 HA GLU 4 3.161 -12.791 6.989 12 1HB GLU 4 2HB GLU 4 4.413 -15.236 7.877 13 2HB GLU 4 1HB GLU 4 5.677 -14.080 7.508 14 1HG GLU 4 2HG GLU 4 5.260 -13.280 9.611 15 2HG GLU 4 1HG GLU 4 3.917 -12.451 8.848 16 H ALA 5 H ALA 5 4.187 -14.769 4.330 17 HA ALA 5 HA ALA 5 6.464 -13.227 3.593 18 1HB ALA 5 1HB ALA 5 6.045 -14.504 1.382 19 2HB ALA 5 2HB ALA 5 6.410 -15.468 2.834 20 3HB ALA 5 3HB ALA 5 4.731 -15.326 2.260 21 H ILE 6 H ILE 6 3.132 -12.572 3.662 22 HA ILE 6 HA ILE 6 3.239 -10.894 1.281 23 HB ILE 6 HB ILE 6 1.145 -12.216 2.864 24 1HG1 ILE 6 2HG1 ILE 6 1.425 -11.374 -0.034 25 2HG1 ILE 6 1HG1 ILE 6 1.738 -12.966 0.629 26 1HG2 ILE 6 1HG2 ILE 6 0.211 -10.220 3.456 27 2HG2 ILE 6 2HG2 ILE 6 0.920 -9.345 2.078 28 3HG2 ILE 6 3HG2 ILE 6 -0.490 -10.403 1.830 29 1HD1 ILE 6 1HD1 ILE 6 -0.873 -12.327 1.516 30 2HD1 ILE 6 2HD1 ILE 6 -0.803 -11.779 -0.177 31 3HD1 ILE 6 3HD1 ILE 6 -0.433 -13.473 0.227 32 H LYS 7 H LYS 7 2.301 -10.640 4.786 33 HA LYS 7 HA LYS 7 2.110 -7.901 4.866 34 1HB LYS 7 2HB LYS 7 1.841 -9.979 6.647 35 2HB LYS 7 1HB LYS 7 3.249 -9.151 7.281 36 1HG LYS 7 2HG LYS 7 1.376 -7.112 6.537 37 2HG LYS 7 1HG LYS 7 0.461 -8.339 7.389 38 1HD LYS 7 2HD LYS 7 1.195 -7.223 9.257 39 2HD LYS 7 1HD LYS 7 2.632 -8.200 9.035 40 1HE LYS 7 2HE LYS 7 3.683 -6.368 7.699 41 2HE LYS 7 1HE LYS 7 2.241 -5.393 7.890 42 1HZ LYS 7 1HZ LYS 7 2.683 -5.841 10.381 43 2HZ LYS 7 2HZ LYS 7 4.214 -6.129 9.890 44 3HZ LYS 7 3HZ LYS 7 3.524 -4.677 9.602 45 H ASN 8 H ASN 8 4.976 -10.003 4.795 46 HA ASN 8 HA ASN 8 6.746 -7.989 5.644 47 1HB ASN 8 2HB ASN 8 6.983 -10.665 5.429 48 2HB ASN 8 1HB ASN 8 7.623 -10.267 3.847 49 1HD2 ASN 8 1HD2 ASN 8 8.815 -11.352 6.371 50 2HD2 ASN 8 2HD2 ASN 8 10.198 -10.365 6.710 51 H GLY 9 H GLY 9 6.006 -9.560 2.433 52 1HA GLY 9 2HA GLY 9 7.628 -7.928 0.849 53 2HA GLY 9 1HA GLY 9 6.232 -8.843 0.317 54 H VAL 10 H VAL 10 4.310 -7.487 2.149 55 HA VAL 10 HA VAL 10 3.625 -5.351 0.446 56 HB VAL 10 HB VAL 10 2.301 -6.954 2.142 57 1HG1 VAL 10 1HG1 VAL 10 3.429 -5.438 4.014 58 2HG1 VAL 10 2HG1 VAL 10 2.043 -4.382 3.650 59 3HG1 VAL 10 3HG1 VAL 10 1.770 -6.058 4.185 60 1HG2 VAL 10 1HG2 VAL 10 1.666 -4.353 0.836 61 2HG2 VAL 10 2HG2 VAL 10 0.933 -5.960 0.615 62 3HG2 VAL 10 3HG2 VAL 10 0.494 -4.968 2.026 63 H LEU 11 H LEU 11 5.541 -5.648 3.415 64 HA LEU 11 HA LEU 11 5.509 -2.790 3.843 65 1HB LEU 11 2HB LEU 11 5.618 -4.823 5.551 66 2HB LEU 11 1HB LEU 11 7.342 -4.640 5.290 67 HG LEU 11 HG LEU 11 7.358 -2.433 6.161 68 1HD1 LEU 11 1HD1 LEU 11 4.449 -2.507 5.579 69 2HD1 LEU 11 2HD1 LEU 11 4.954 -1.591 7.020 70 3HD1 LEU 11 3HD1 LEU 11 5.626 -1.180 5.423 71 1HD2 LEU 11 1HD2 LEU 11 6.308 -2.726 8.424 72 2HD2 LEU 11 2HD2 LEU 11 5.598 -4.245 7.827 73 3HD2 LEU 11 3HD2 LEU 11 7.367 -4.059 7.901 74 H ASP 12 H ASP 12 7.662 -5.361 2.561 75 HA ASP 12 HA ASP 12 9.913 -3.757 2.359 76 1HB ASP 12 2HB ASP 12 9.390 -6.391 1.959 77 2HB ASP 12 1HB ASP 12 9.384 -5.872 0.285 78 H ILE 13 H ILE 13 6.932 -4.038 0.494 79 HA ILE 13 HA ILE 13 8.084 -2.700 -1.813 80 HB ILE 13 HB ILE 13 5.684 -4.298 -1.226 81 1HG1 ILE 13 2HG1 ILE 13 6.744 -4.024 -3.972 82 2HG1 ILE 13 1HG1 ILE 13 7.908 -4.583 -2.788 83 1HG2 ILE 13 1HG2 ILE 13 5.555 -1.992 -3.188 84 2HG2 ILE 13 2HG2 ILE 13 4.383 -3.327 -3.085 85 3HG2 ILE 13 3HG2 ILE 13 4.573 -2.202 -1.718 86 1HD1 ILE 13 1HD1 ILE 13 5.419 -5.912 -3.784 87 2HD1 ILE 13 2HD1 ILE 13 6.974 -6.627 -3.296 88 3HD1 ILE 13 3HD1 ILE 13 5.795 -6.131 -2.058 89 H LEU 14 H LEU 14 6.528 -1.992 1.198 90 HA LEU 14 HA LEU 14 5.360 0.471 0.261 91 1HB LEU 14 2HB LEU 14 5.336 -1.158 2.715 92 2HB LEU 14 1HB LEU 14 5.272 0.573 2.980 93 HG LEU 14 HG LEU 14 3.060 -0.695 2.819 94 1HD1 LEU 14 1HD1 LEU 14 3.839 1.909 1.855 95 2HD1 LEU 14 2HD1 LEU 14 2.444 1.297 0.933 96 3HD1 LEU 14 3HD1 LEU 14 2.359 1.406 2.707 97 1HD2 LEU 14 1HD2 LEU 14 4.166 -1.425 0.290 98 2HD2 LEU 14 2HD2 LEU 14 2.618 -1.913 1.022 99 3HD2 LEU 14 3HD2 LEU 14 2.702 -0.451 0.010 100 H ALA 15 H ALA 15 8.109 -0.578 2.375 101 HA ALA 15 HA ALA 15 9.025 1.999 2.923 102 1HB ALA 15 1HB ALA 15 10.535 -0.642 2.754 103 2HB ALA 15 2HB ALA 15 11.100 0.831 3.579 104 3HB ALA 15 3HB ALA 15 9.662 -0.028 4.178 105 H ASP 16 H ASP 16 9.617 -0.273 0.202 106 HA ASP 16 HA ASP 16 11.680 1.276 -0.897 107 1HB ASP 16 2HB ASP 16 10.224 -1.169 -1.503 108 2HB ASP 16 1HB ASP 16 10.347 -0.203 -2.959 109 H LEU 17 H LEU 17 8.129 1.257 -1.020 110 HA LEU 17 HA LEU 17 7.788 2.657 -3.423 111 1HB LEU 17 2HB LEU 17 6.177 1.790 -1.146 112 2HB LEU 17 1HB LEU 17 5.637 3.314 -1.819 113 HG LEU 17 HG LEU 17 5.049 2.381 -3.855 114 1HD1 LEU 17 1HD1 LEU 17 6.596 1.182 -4.914 115 2HD1 LEU 17 2HD1 LEU 17 7.339 0.646 -3.388 116 3HD1 LEU 17 3HD1 LEU 17 5.948 -0.239 -4.060 117 1HD2 LEU 17 1HD2 LEU 17 4.584 0.288 -1.725 118 2HD2 LEU 17 2HD2 LEU 17 3.483 1.574 -2.272 119 3HD2 LEU 17 3HD2 LEU 17 3.860 0.208 -3.349 120 H THR 18 H THR 18 7.856 3.789 0.028 121 HA THR 18 HA THR 18 7.856 6.535 -0.815 122 HB THR 18 HB THR 18 7.671 6.955 1.530 123 HG1 THR 18 1HG THR 18 8.932 4.308 1.669 124 1HG2 THR 18 1HG2 THR 18 5.952 5.546 2.269 125 2HG2 THR 18 2HG2 THR 18 5.933 5.136 0.536 126 3HG2 THR 18 3HG2 THR 18 6.776 4.077 1.693 127 H GLY 19 H GLY 19 10.272 4.081 0.085 128 1HA GLY 19 2HA GLY 19 12.474 4.231 -0.699 129 2HA GLY 19 1HA GLY 19 12.350 5.978 -0.754 130 H SER 20 H SER 20 10.817 5.322 2.081 131 HA SER 20 HA SER 20 13.328 5.245 3.563 132 1HB SER 20 2HB SER 20 11.112 7.219 3.624 133 2HB SER 20 1HB SER 20 11.593 6.653 5.211 134 HG SER 20 HG SER 20 13.839 7.201 4.607 135 H ASP 21 H ASP 21 13.043 4.444 5.873 136 HA ASP 21 HA ASP 21 11.093 2.315 5.823 137 1HB ASP 21 2HB ASP 21 13.660 2.138 6.431 138 2HB ASP 21 1HB ASP 21 13.171 2.773 7.989 139 H ASP 22 H ASP 22 9.794 4.721 6.159 140 HA ASP 22 HA ASP 22 9.592 5.153 9.016 141 1HB ASP 22 2HB ASP 22 9.423 6.830 6.698 142 2HB ASP 22 1HB ASP 22 7.822 6.818 7.412 143 H VAL 23 H VAL 23 7.930 3.892 6.140 144 HA VAL 23 HA VAL 23 5.374 3.750 7.493 145 HB VAL 23 HB VAL 23 5.343 4.377 5.201 146 1HG1 VAL 23 1HG1 VAL 23 7.271 2.123 4.880 147 2HG1 VAL 23 2HG1 VAL 23 6.149 2.438 3.535 148 3HG1 VAL 23 3HG1 VAL 23 7.238 3.725 4.107 149 1HG2 VAL 23 1HG2 VAL 23 3.991 2.089 6.192 150 2HG2 VAL 23 2HG2 VAL 23 3.480 3.192 4.892 151 3HG2 VAL 23 3HG2 VAL 23 4.431 1.739 4.503 152 H LYS 24 H LYS 24 8.272 1.858 7.014 153 HA LYS 24 HA LYS 24 7.112 -0.698 7.204 154 1HB LYS 24 2HB LYS 24 9.359 -0.273 6.305 155 2HB LYS 24 1HB LYS 24 9.911 0.258 7.881 156 1HG LYS 24 2HG LYS 24 8.584 -2.434 7.770 157 2HG LYS 24 1HG LYS 24 10.157 -2.311 7.008 158 1HD LYS 24 2HD LYS 24 11.238 -1.689 9.038 159 2HD LYS 24 1HD LYS 24 9.739 -1.194 9.799 160 1HE LYS 24 2HE LYS 24 9.103 -3.788 9.389 161 2HE LYS 24 1HE LYS 24 10.846 -3.970 9.405 162 1HZ LYS 24 1HZ LYS 24 9.084 -3.321 11.552 163 2HZ LYS 24 2HZ LYS 24 10.563 -4.010 11.592 164 3HZ LYS 24 3HZ LYS 24 10.422 -2.386 11.508 165 H LYS 25 H LYS 25 7.622 1.882 9.496 166 HA LYS 25 HA LYS 25 7.212 -0.012 11.699 167 1HB LYS 25 2HB LYS 25 8.143 1.678 13.156 168 2HB LYS 25 1HB LYS 25 9.254 1.356 11.840 169 1HG LYS 25 2HG LYS 25 9.259 3.690 11.826 170 2HG LYS 25 1HG LYS 25 7.999 3.374 10.649 171 1HD LYS 25 2HD LYS 25 6.684 4.719 11.937 172 2HD LYS 25 1HD LYS 25 6.556 3.346 13.018 173 1HE LYS 25 2HE LYS 25 8.306 4.160 14.450 174 2HE LYS 25 1HE LYS 25 8.877 5.300 13.247 175 1HZ LYS 25 1HZ LYS 25 6.372 6.091 13.551 176 2HZ LYS 25 2HZ LYS 25 6.665 5.531 15.057 177 3HZ LYS 25 3HZ LYS 25 7.617 6.695 14.420 178 H ASN 26 H ASN 26 6.122 3.121 10.263 179 HA ASN 26 HA ASN 26 4.007 3.380 12.089 180 1HB ASN 26 2HB ASN 26 4.879 4.708 9.526 181 2HB ASN 26 1HB ASN 26 3.201 4.925 9.984 182 1HD2 ASN 26 1HD2 ASN 26 5.656 6.683 9.914 183 2HD2 ASN 26 2HD2 ASN 26 5.716 7.461 11.461 184 H LEU 27 H LEU 27 1.694 3.023 11.655 185 HA LEU 27 HA LEU 27 1.177 1.328 9.315 186 1HB LEU 27 2HB LEU 27 0.113 0.931 12.115 187 2HB LEU 27 1HB LEU 27 -0.357 0.007 10.703 188 HG LEU 27 HG LEU 27 2.529 0.109 11.553 189 1HD1 LEU 27 1HD1 LEU 27 0.918 -2.174 12.532 190 2HD1 LEU 27 2HD1 LEU 27 2.308 -1.341 13.266 191 3HD1 LEU 27 3HD1 LEU 27 0.682 -0.626 13.378 192 1HD2 LEU 27 1HD2 LEU 27 2.017 -0.829 9.357 193 2HD2 LEU 27 2HD2 LEU 27 2.617 -2.084 10.467 194 3HD2 LEU 27 3HD2 LEU 27 0.878 -1.977 10.101 195 H ASP 28 H ASP 28 0.924 4.285 9.819 196 HA ASP 28 HA ASP 28 -1.693 4.492 8.791 197 1HB ASP 28 2HB ASP 28 -1.404 4.717 11.623 198 2HB ASP 28 1HB ASP 28 -1.600 6.356 11.036 199 H LEU 29 H LEU 29 1.161 5.113 8.151 200 HA LEU 29 HA LEU 29 1.260 8.016 8.346 201 1HB LEU 29 2HB LEU 29 3.247 6.836 8.979 202 2HB LEU 29 1HB LEU 29 3.260 5.930 7.480 203 HG LEU 29 HG LEU 29 3.434 8.339 6.391 204 1HD1 LEU 29 1HD1 LEU 29 3.812 10.058 7.738 205 2HD1 LEU 29 2HD1 LEU 29 3.534 8.989 9.134 206 3HD1 LEU 29 3HD1 LEU 29 5.182 9.215 8.500 207 1HD2 LEU 29 1HD2 LEU 29 5.662 6.734 7.652 208 2HD2 LEU 29 2HD2 LEU 29 5.091 6.713 5.966 209 3HD2 LEU 29 3HD2 LEU 29 5.957 8.136 6.595 210 H ASN 30 H ASN 30 -0.084 8.972 6.879 211 HA ASN 30 HA ASN 30 -1.099 8.045 4.651 212 1HB ASN 30 2HB ASN 30 -0.195 10.757 5.520 213 2HB ASN 30 1HB ASN 30 -0.447 10.606 3.793 214 1HD2 ASN 30 1HD2 ASN 30 -2.084 8.867 6.402 215 2HD2 ASN 30 2HD2 ASN 30 -3.681 9.475 6.119 216 H LEU 31 H LEU 31 -0.373 7.389 2.597 217 HA LEU 31 HA LEU 31 2.485 7.701 2.093 218 1HB LEU 31 2HB LEU 31 0.462 5.903 0.751 219 2HB LEU 31 1HB LEU 31 2.197 5.897 0.495 220 HG LEU 31 HG LEU 31 1.441 5.532 3.312 221 1HD1 LEU 31 1HD1 LEU 31 0.970 2.966 2.301 222 2HD1 LEU 31 2HD1 LEU 31 -0.202 4.058 3.074 223 3HD1 LEU 31 3HD1 LEU 31 -0.026 4.052 1.304 224 1HD2 LEU 31 1HD2 LEU 31 3.652 5.074 2.940 225 2HD2 LEU 31 2HD2 LEU 31 2.965 3.440 2.788 226 3HD2 LEU 31 3HD2 LEU 31 3.359 4.379 1.328 227 H PHE 32 H PHE 32 -0.110 9.573 1.650 228 HA PHE 32 HA PHE 32 0.845 10.437 -0.980 229 1HB PHE 32 2HB PHE 32 -1.970 9.937 0.112 230 2HB PHE 32 1HB PHE 32 -1.740 11.101 -1.177 231 HD1 PHE 32 1HD PHE 32 -1.835 10.371 -3.373 232 HD2 PHE 32 2HD PHE 32 -0.937 7.558 -0.326 233 HE1 PHE 32 1HE PHE 32 -1.922 8.515 -5.061 234 HE2 PHE 32 2HE PHE 32 -1.024 5.702 -2.014 235 HZ PHE 32 HZ PHE 32 -1.516 6.204 -4.361 236 H GLU 33 H GLU 33 -1.116 11.271 1.958 237 HA GLU 33 HA GLU 33 -0.966 14.022 1.470 238 1HB GLU 33 2HB GLU 33 -2.646 12.735 2.938 239 2HB GLU 33 1HB GLU 33 -1.404 12.694 4.173 240 1HG GLU 33 2HG GLU 33 -1.251 15.272 3.882 241 2HG GLU 33 1HG GLU 33 -2.739 15.150 2.963 242 H THR 34 H THR 34 1.358 11.732 2.547 243 HA THR 34 HA THR 34 2.870 13.749 4.038 244 HB THR 34 HB THR 34 3.270 10.736 3.646 245 HG1 THR 34 1HG THR 34 2.134 12.529 5.667 246 1HG2 THR 34 1HG2 THR 34 4.815 10.885 5.520 247 2HG2 THR 34 2HG2 THR 34 5.340 12.108 4.337 248 3HG2 THR 34 3HG2 THR 34 4.421 12.601 5.780 249 H GLY 35 H GLY 35 2.523 12.489 0.869 250 1HA GLY 35 2HA GLY 35 3.653 13.293 -0.968 251 2HA GLY 35 1HA GLY 35 4.936 13.901 0.060 252 H LEU 36 H LEU 36 3.480 10.584 -0.089 253 HA LEU 36 HA LEU 36 6.187 9.580 -0.591 254 1HB LEU 36 2HB LEU 36 3.755 8.347 0.695 255 2HB LEU 36 1HB LEU 36 5.155 7.407 0.215 256 HG LEU 36 HG LEU 36 6.578 8.612 1.760 257 1HD1 LEU 36 1HD1 LEU 36 5.987 10.799 1.933 258 2HD1 LEU 36 2HD1 LEU 36 4.242 10.450 1.940 259 3HD1 LEU 36 3HD1 LEU 36 5.207 10.191 3.414 260 1HD2 LEU 36 1HD2 LEU 36 4.524 8.188 3.737 261 2HD2 LEU 36 2HD2 LEU 36 4.453 6.919 2.491 262 3HD2 LEU 36 3HD2 LEU 36 5.970 7.215 3.372 263 H LEU 37 H LEU 37 2.851 9.756 -1.796 264 HA LEU 37 HA LEU 37 3.815 8.588 -4.288 265 1HB LEU 37 2HB LEU 37 1.713 7.474 -2.516 266 2HB LEU 37 1HB LEU 37 1.351 7.515 -4.231 267 HG LEU 37 HG LEU 37 3.674 6.112 -2.889 268 1HD1 LEU 37 1HD1 LEU 37 1.687 4.737 -4.639 269 2HD1 LEU 37 2HD1 LEU 37 2.590 4.135 -3.228 270 3HD1 LEU 37 3HD1 LEU 37 1.186 5.205 -2.997 271 1HD2 LEU 37 1HD2 LEU 37 4.690 6.792 -4.844 272 2HD2 LEU 37 2HD2 LEU 37 3.989 5.229 -5.326 273 3HD2 LEU 37 3HD2 LEU 37 3.175 6.746 -5.779 274 H ASP 38 H ASP 38 1.897 8.887 -6.005 275 HA ASP 38 HA ASP 38 0.746 11.510 -5.465 276 1HB ASP 38 2HB ASP 38 2.751 10.893 -7.359 277 2HB ASP 38 1HB ASP 38 1.279 10.960 -8.309 278 H SER 39 H SER 39 0.772 8.707 -7.807 279 HA SER 39 HA SER 39 -1.870 8.037 -7.314 280 1HB SER 39 2HB SER 39 -1.948 10.311 -8.729 281 2HB SER 39 1HB SER 39 -1.672 9.227 -10.078 282 HG SER 39 HG SER 39 -3.912 9.413 -9.820 283 H MET 40 H MET 40 0.437 8.345 -10.119 284 HA MET 40 HA MET 40 -0.156 5.982 -11.318 285 1HB MET 40 2HB MET 40 1.719 8.042 -11.610 286 2HB MET 40 1HB MET 40 2.748 6.669 -11.256 287 1HG MET 40 2HG MET 40 2.524 5.970 -13.403 288 2HG MET 40 1HG MET 40 0.811 5.722 -13.130 289 1HE MET 40 1HE MET 40 -0.519 7.148 -15.602 290 2HE MET 40 2HE MET 40 -0.819 6.659 -13.917 291 3HE MET 40 3HE MET 40 -1.073 8.350 -14.413 292 H GLY 41 H GLY 41 2.213 6.623 -8.660 293 1HA GLY 41 2HA GLY 41 3.574 4.329 -8.417 294 2HA GLY 41 1HA GLY 41 2.944 5.213 -7.041 295 H THR 42 H THR 42 0.230 4.850 -7.069 296 HA THR 42 HA THR 42 -0.144 2.372 -5.969 297 HB THR 42 HB THR 42 -1.612 4.680 -6.335 298 HG1 THR 42 1HG THR 42 -2.178 3.361 -4.617 299 1HG2 THR 42 1HG2 THR 42 -3.646 4.163 -7.520 300 2HG2 THR 42 2HG2 THR 42 -2.340 3.713 -8.642 301 3HG2 THR 42 3HG2 THR 42 -3.185 2.454 -7.711 302 H VAL 43 H VAL 43 -0.411 3.329 -9.416 303 HA VAL 43 HA VAL 43 -1.603 0.999 -10.330 304 HB VAL 43 HB VAL 43 0.434 2.733 -11.738 305 1HG1 VAL 43 1HG1 VAL 43 -1.341 2.040 -13.644 306 2HG1 VAL 43 2HG1 VAL 43 0.120 1.091 -13.280 307 3HG1 VAL 43 3HG1 VAL 43 -1.452 0.601 -12.602 308 1HG2 VAL 43 1HG2 VAL 43 -1.719 3.880 -12.598 309 2HG2 VAL 43 2HG2 VAL 43 -2.500 3.152 -11.174 310 3HG2 VAL 43 3HG2 VAL 43 -1.141 4.281 -10.962 311 H GLN 44 H GLN 44 1.693 1.689 -9.239 312 HA GLN 44 HA GLN 44 2.817 -0.578 -10.491 313 1HB GLN 44 2HB GLN 44 4.149 1.422 -9.856 314 2HB GLN 44 1HB GLN 44 3.826 1.116 -8.162 315 1HG GLN 44 2HG GLN 44 5.354 -0.597 -8.036 316 2HG GLN 44 1HG GLN 44 4.933 -1.230 -9.615 317 1HE2 GLN 44 1HE2 GLN 44 7.197 -1.501 -9.930 318 2HE2 GLN 44 2HE2 GLN 44 8.197 -0.185 -10.449 319 H LEU 45 H LEU 45 2.341 0.189 -6.960 320 HA LEU 45 HA LEU 45 2.832 -2.253 -5.931 321 1HB LEU 45 2HB LEU 45 0.782 -1.451 -4.352 322 2HB LEU 45 1HB LEU 45 2.440 -0.900 -4.220 323 HG LEU 45 HG LEU 45 0.673 0.618 -6.076 324 1HD1 LEU 45 1HD1 LEU 45 -0.023 0.163 -3.283 325 2HD1 LEU 45 2HD1 LEU 45 0.225 1.887 -3.652 326 3HD1 LEU 45 3HD1 LEU 45 -0.953 0.937 -4.589 327 1HD2 LEU 45 1HD2 LEU 45 3.176 1.020 -5.428 328 2HD2 LEU 45 2HD2 LEU 45 2.060 2.395 -5.604 329 3HD2 LEU 45 3HD2 LEU 45 2.475 1.787 -3.984 330 H LEU 46 H LEU 46 -0.283 -1.114 -7.372 331 HA LEU 46 HA LEU 46 -1.821 -3.305 -6.821 332 1HB LEU 46 2HB LEU 46 -1.756 -1.365 -9.113 333 2HB LEU 46 1HB LEU 46 -2.919 -2.675 -9.079 334 HG LEU 46 HG LEU 46 -2.688 -0.303 -7.243 335 1HD1 LEU 46 1HD1 LEU 46 -4.124 -0.511 -9.434 336 2HD1 LEU 46 2HD1 LEU 46 -5.235 -1.405 -8.370 337 3HD1 LEU 46 3HD1 LEU 46 -4.786 0.273 -7.979 338 1HD2 LEU 46 1HD2 LEU 46 -2.909 -1.885 -5.578 339 2HD2 LEU 46 2HD2 LEU 46 -4.608 -1.508 -5.952 340 3HD2 LEU 46 3HD2 LEU 46 -3.863 -2.989 -6.598 341 H LEU 47 H LEU 47 0.630 -2.844 -9.415 342 HA LEU 47 HA LEU 47 0.053 -5.350 -10.630 343 1HB LEU 47 2HB LEU 47 1.312 -3.077 -11.401 344 2HB LEU 47 1HB LEU 47 2.695 -4.090 -11.033 345 HG LEU 47 HG LEU 47 2.124 -4.213 -13.392 346 1HD1 LEU 47 1HD1 LEU 47 1.500 -6.799 -11.940 347 2HD1 LEU 47 2HD1 LEU 47 1.986 -6.648 -13.645 348 3HD1 LEU 47 3HD1 LEU 47 3.118 -6.182 -12.353 349 1HD2 LEU 47 1HD2 LEU 47 -0.173 -5.679 -13.669 350 2HD2 LEU 47 2HD2 LEU 47 -0.599 -4.568 -12.346 351 3HD2 LEU 47 3HD2 LEU 47 -0.036 -3.920 -13.906 352 H GLU 48 H GLU 48 1.931 -4.250 -7.875 353 HA GLU 48 HA GLU 48 3.483 -6.673 -7.869 354 1HB GLU 48 2HB GLU 48 4.058 -4.126 -7.052 355 2HB GLU 48 1HB GLU 48 3.564 -4.825 -5.523 356 1HG GLU 48 2HG GLU 48 6.000 -5.105 -5.865 357 2HG GLU 48 1HG GLU 48 5.203 -6.665 -5.794 358 H LEU 49 H LEU 49 0.446 -5.503 -6.717 359 HA LEU 49 HA LEU 49 0.408 -7.419 -4.516 360 1HB LEU 49 2HB LEU 49 -1.239 -5.037 -5.284 361 2HB LEU 49 1HB LEU 49 -1.923 -6.266 -4.239 362 HG LEU 49 HG LEU 49 0.496 -4.532 -3.708 363 1HD1 LEU 49 1HD1 LEU 49 -2.328 -4.562 -2.824 364 2HD1 LEU 49 2HD1 LEU 49 -1.115 -4.267 -1.555 365 3HD1 LEU 49 3HD1 LEU 49 -1.180 -3.211 -2.986 366 1HD2 LEU 49 1HD2 LEU 49 0.136 -5.889 -1.380 367 2HD2 LEU 49 2HD2 LEU 49 -0.222 -7.160 -2.575 368 3HD2 LEU 49 3HD2 LEU 49 1.341 -6.308 -2.622 369 H GLN 50 H GLN 50 -0.305 -7.169 -7.851 370 HA GLN 50 HA GLN 50 -2.397 -9.173 -7.603 371 1HB GLN 50 2HB GLN 50 -2.708 -7.019 -8.999 372 2HB GLN 50 1HB GLN 50 -1.574 -7.711 -10.141 373 1HG GLN 50 2HG GLN 50 -3.019 -9.637 -10.533 374 2HG GLN 50 1HG GLN 50 -4.076 -9.186 -9.209 375 1HE2 GLN 50 1HE2 GLN 50 -5.225 -7.146 -9.349 376 2HE2 GLN 50 2HE2 GLN 50 -5.752 -6.551 -10.888 377 H SER 51 H SER 51 0.624 -9.525 -7.246 378 HA SER 51 HA SER 51 0.829 -11.681 -9.181 379 1HB SER 51 2HB SER 51 2.589 -9.332 -8.951 380 2HB SER 51 1HB SER 51 3.479 -10.833 -8.793 381 HG SER 51 HG SER 51 2.074 -9.784 -11.023 382 H GLN 52 H GLN 52 2.589 -10.138 -6.383 383 HA GLN 52 HA GLN 52 3.390 -12.679 -5.431 384 1HB GLN 52 2HB GLN 52 3.585 -9.858 -4.314 385 2HB GLN 52 1HB GLN 52 4.164 -11.247 -3.417 386 1HG GLN 52 2HG GLN 52 5.047 -10.879 -6.290 387 2HG GLN 52 1HG GLN 52 5.799 -9.910 -5.038 388 1HE2 GLN 52 1HE2 GLN 52 7.441 -10.721 -3.968 389 2HE2 GLN 52 2HE2 GLN 52 7.917 -12.384 -3.892 390 H PHE 53 H PHE 53 0.523 -10.771 -5.189 391 HA PHE 53 HA PHE 53 -0.343 -12.426 -2.926 392 1HB PHE 53 2HB PHE 53 -1.342 -9.610 -3.595 393 2HB PHE 53 1HB PHE 53 -1.512 -10.460 -2.073 394 HD1 PHE 53 1HD PHE 53 1.204 -9.219 -4.321 395 HD2 PHE 53 2HD PHE 53 -0.133 -9.826 -0.340 396 HE1 PHE 53 1HE PHE 53 3.264 -8.075 -3.454 397 HE2 PHE 53 2HE PHE 53 1.926 -8.684 0.528 398 HZ PHE 53 HZ PHE 53 3.601 -7.821 -1.040 399 H GLY 54 H GLY 54 -1.321 -10.462 -5.809 400 1HA GLY 54 2HA GLY 54 -2.741 -11.155 -7.480 401 2HA GLY 54 1HA GLY 54 -3.265 -12.512 -6.503 402 H VAL 55 H VAL 55 -3.151 -8.953 -5.782 403 HA VAL 55 HA VAL 55 -5.813 -9.116 -4.706 404 HB VAL 55 HB VAL 55 -3.912 -6.790 -5.065 405 1HG1 VAL 55 1HG1 VAL 55 -6.573 -7.073 -3.673 406 2HG1 VAL 55 2HG1 VAL 55 -5.372 -5.881 -3.122 407 3HG1 VAL 55 3HG1 VAL 55 -6.009 -5.799 -4.782 408 1HG2 VAL 55 1HG2 VAL 55 -4.298 -8.808 -2.859 409 2HG2 VAL 55 2HG2 VAL 55 -2.792 -8.218 -3.604 410 3HG2 VAL 55 3HG2 VAL 55 -3.709 -7.168 -2.497 411 H ASP 56 H ASP 56 -7.681 -8.081 -5.530 412 HA ASP 56 HA ASP 56 -7.381 -7.310 -8.327 413 1HB ASP 56 2HB ASP 56 -9.414 -8.945 -6.850 414 2HB ASP 56 1HB ASP 56 -10.049 -7.873 -8.082 415 H ALA 57 H ALA 57 -6.859 -5.202 -6.835 416 HA ALA 57 HA ALA 57 -9.216 -3.941 -5.773 417 1HB ALA 57 1HB ALA 57 -7.285 -3.453 -4.548 418 2HB ALA 57 2HB ALA 57 -6.278 -3.289 -6.006 419 3HB ALA 57 3HB ALA 57 -7.444 -2.013 -5.582 420 HA PRO 58 HA PRO 58 -10.285 -1.824 -9.392 421 1HB PRO 58 2HB PRO 58 -11.674 0.300 -8.377 422 2HB PRO 58 1HB PRO 58 -12.366 -1.300 -8.558 423 1HG PRO 58 2HG PRO 58 -11.454 0.059 -6.096 424 2HG PRO 58 1HG PRO 58 -12.516 -1.326 -6.256 425 1HD PRO 58 2HD PRO 58 -9.755 -1.361 -5.478 426 2HD PRO 58 1HD PRO 58 -10.785 -2.752 -5.751 427 H VAL 59 H VAL 59 -10.052 0.112 -10.742 428 HA VAL 59 HA VAL 59 -7.897 1.788 -9.667 429 HB VAL 59 HB VAL 59 -7.996 0.903 -12.537 430 1HG1 VAL 59 1HG1 VAL 59 -6.445 2.566 -12.489 431 2HG1 VAL 59 2HG1 VAL 59 -6.106 2.354 -10.754 432 3HG1 VAL 59 3HG1 VAL 59 -5.389 1.241 -11.944 433 1HG2 VAL 59 1HG2 VAL 59 -7.932 -1.170 -11.284 434 2HG2 VAL 59 2HG2 VAL 59 -6.321 -0.850 -11.970 435 3HG2 VAL 59 3HG2 VAL 59 -6.630 -0.545 -10.243 436 H SER 60 H SER 60 -11.051 1.676 -10.472 437 HA SER 60 HA SER 60 -10.990 4.099 -12.062 438 1HB SER 60 2HB SER 60 -13.670 3.410 -11.669 439 2HB SER 60 1HB SER 60 -12.708 3.043 -13.087 440 HG SER 60 HG SER 60 -12.318 0.975 -12.358 441 H GLU 61 H GLU 61 -10.130 5.299 -10.108 442 HA GLU 61 HA GLU 61 -10.442 6.761 -8.530 443 1HB GLU 61 2HB GLU 61 -12.524 7.369 -9.846 444 2HB GLU 61 1HB GLU 61 -13.446 6.312 -8.796 445 1HG GLU 61 2HG GLU 61 -12.660 7.654 -6.807 446 2HG GLU 61 1HG GLU 61 -11.821 8.738 -7.898 447 H PHE 62 H PHE 62 -9.754 4.208 -7.750 448 HA PHE 62 HA PHE 62 -11.379 2.896 -5.984 449 1HB PHE 62 2HB PHE 62 -8.989 2.401 -4.915 450 2HB PHE 62 1HB PHE 62 -9.286 1.894 -6.567 451 HD1 PHE 62 1HD PHE 62 -7.343 2.114 -7.783 452 HD2 PHE 62 2HD PHE 62 -8.405 5.210 -5.083 453 HE1 PHE 62 1HE PHE 62 -5.368 3.461 -8.551 454 HE2 PHE 62 2HE PHE 62 -6.432 6.558 -5.850 455 HZ PHE 62 HZ PHE 62 -4.937 5.667 -7.575 456 H ASP 63 H ASP 63 -10.247 2.735 -3.474 457 HA ASP 63 HA ASP 63 -11.149 5.233 -2.380 458 1HB ASP 63 2HB ASP 63 -10.461 3.692 -0.211 459 2HB ASP 63 1HB ASP 63 -12.038 3.665 -0.975 460 H ARG 64 H ARG 64 -9.227 6.532 -3.022 461 HA ARG 64 HA ARG 64 -6.659 5.913 -2.677 462 1HB ARG 64 2HB ARG 64 -8.090 8.224 -3.248 463 2HB ARG 64 1HB ARG 64 -7.322 8.665 -1.736 464 1HG ARG 64 2HG ARG 64 -5.806 7.486 -4.111 465 2HG ARG 64 1HG ARG 64 -5.967 9.209 -3.827 466 1HD ARG 64 2HD ARG 64 -4.993 7.574 -1.505 467 2HD ARG 64 1HD ARG 64 -3.890 7.727 -2.858 468 HE ARG 64 HE ARG 64 -3.749 10.080 -2.486 469 1HH1 ARG 64 2HH2 ARG 64 -6.044 8.557 -0.296 470 2HH1 ARG 64 1HH2 ARG 64 -6.137 9.925 0.763 471 1HH2 ARG 64 2HH1 ARG 64 -3.869 11.884 -1.089 472 2HH2 ARG 64 1HH1 ARG 64 -4.891 11.831 0.309 473 H LYS 65 H LYS 65 -8.939 7.195 -0.176 474 HA LYS 65 HA LYS 65 -7.134 7.587 1.867 475 1HB LYS 65 2HB LYS 65 -9.233 8.448 2.270 476 2HB LYS 65 1HB LYS 65 -10.067 7.019 1.694 477 1HG LYS 65 2HG LYS 65 -9.968 5.971 3.738 478 2HG LYS 65 1HG LYS 65 -8.334 6.519 4.057 479 1HD LYS 65 2HD LYS 65 -10.012 8.851 4.082 480 2HD LYS 65 1HD LYS 65 -10.836 7.624 5.025 481 1HE LYS 65 2HE LYS 65 -8.946 7.346 6.508 482 2HE LYS 65 1HE LYS 65 -7.880 8.236 5.440 483 1HZ LYS 65 1HZ LYS 65 -10.250 9.499 6.597 484 2HZ LYS 65 2HZ LYS 65 -8.836 9.445 7.410 485 3HZ LYS 65 3HZ LYS 65 -8.923 10.217 5.974 486 H GLU 66 H GLU 66 -8.520 4.591 0.540 487 HA GLU 66 HA GLU 66 -7.564 3.058 2.750 488 1HB GLU 66 2HB GLU 66 -9.597 2.311 1.681 489 2HB GLU 66 1HB GLU 66 -8.856 2.333 0.093 490 1HG GLU 66 2HG GLU 66 -7.430 0.447 0.624 491 2HG GLU 66 1HG GLU 66 -7.814 0.547 2.331 492 H TRP 67 H TRP 67 -6.442 4.116 -0.428 493 HA TRP 67 HA TRP 67 -4.203 2.235 -0.282 494 1HB TRP 67 2HB TRP 67 -5.026 4.033 -2.566 495 2HB TRP 67 1HB TRP 67 -3.800 2.782 -2.596 496 HD1 TRP 67 HD TRP 67 -7.526 3.254 -3.037 497 HE1 TRP 67 1HE TRP 67 -8.760 0.994 -3.618 498 HE3 TRP 67 3HE TRP 67 -3.577 0.221 -2.004 499 HZ2 TRP 67 2HZ TRP 67 -7.964 -1.746 -3.583 500 HZ3 TRP 67 3HZ TRP 67 -3.889 -2.235 -2.304 501 HH2 TRP 67 HH TRP 67 -5.989 -3.228 -3.064 502 H ASP 68 H ASP 68 -4.784 4.749 1.418 503 HA ASP 68 HA ASP 68 -2.571 6.391 0.519 504 1HB ASP 68 2HB ASP 68 -4.258 7.884 1.055 505 2HB ASP 68 1HB ASP 68 -5.005 6.792 2.204 506 H THR 69 H THR 69 -3.832 4.353 3.199 507 HA THR 69 HA THR 69 -1.285 4.701 4.630 508 HB THR 69 HB THR 69 -2.905 3.500 6.432 509 HG1 THR 69 1HG THR 69 -5.089 4.076 5.891 510 1HG2 THR 69 1HG2 THR 69 -2.071 6.139 6.036 511 2HG2 THR 69 2HG2 THR 69 -3.846 6.282 6.002 512 3HG2 THR 69 3HG2 THR 69 -3.038 5.573 7.420 513 HA PRO 70 HA PRO 70 -0.205 0.629 3.827 514 1HB PRO 70 2HB PRO 70 1.288 -0.030 6.020 515 2HB PRO 70 1HB PRO 70 1.908 0.931 4.691 516 1HG PRO 70 2HG PRO 70 1.088 1.811 7.392 517 2HG PRO 70 1HG PRO 70 2.087 2.649 6.220 518 1HD PRO 70 2HD PRO 70 -0.662 3.192 6.833 519 2HD PRO 70 1HD PRO 70 0.302 3.950 5.581 520 H ASN 71 H ASN 71 -1.725 1.205 6.903 521 HA ASN 71 HA ASN 71 -2.231 -1.481 7.429 522 1HB ASN 71 2HB ASN 71 -2.789 1.078 8.624 523 2HB ASN 71 1HB ASN 71 -4.326 0.245 8.493 524 1HD2 ASN 71 1HD2 ASN 71 -2.708 0.924 10.830 525 2HD2 ASN 71 2HD2 ASN 71 -2.395 -0.549 11.687 526 H LYS 72 H LYS 72 -4.238 1.222 6.039 527 HA LYS 72 HA LYS 72 -6.539 -0.258 5.588 528 1HB LYS 72 2HB LYS 72 -5.478 2.360 4.909 529 2HB LYS 72 1HB LYS 72 -6.403 1.695 3.577 530 1HG LYS 72 2HG LYS 72 -8.368 1.405 4.942 531 2HG LYS 72 1HG LYS 72 -7.467 1.632 6.428 532 1HD LYS 72 2HD LYS 72 -7.166 3.937 4.624 533 2HD LYS 72 1HD LYS 72 -8.852 3.619 4.982 534 1HE LYS 72 2HE LYS 72 -6.663 3.888 7.099 535 2HE LYS 72 1HE LYS 72 -7.752 5.180 6.635 536 1HZ LYS 72 1HZ LYS 72 -9.125 4.346 8.124 537 2HZ LYS 72 2HZ LYS 72 -9.364 3.052 7.156 538 3HZ LYS 72 3HZ LYS 72 -8.238 2.992 8.337 539 H ILE 73 H ILE 73 -3.466 -0.065 3.821 540 HA ILE 73 HA ILE 73 -4.554 -1.392 1.514 541 HB ILE 73 HB ILE 73 -1.913 -0.287 2.346 542 1HG1 ILE 73 2HG1 ILE 73 -3.776 0.059 -0.011 543 2HG1 ILE 73 1HG1 ILE 73 -3.395 1.224 1.241 544 1HG2 ILE 73 1HG2 ILE 73 -0.906 -1.250 0.261 545 2HG2 ILE 73 2HG2 ILE 73 -1.214 -2.428 1.559 546 3HG2 ILE 73 3HG2 ILE 73 -2.310 -2.341 0.158 547 1HD1 ILE 73 1HD1 ILE 73 -1.788 0.403 -1.148 548 2HD1 ILE 73 2HD1 ILE 73 -1.928 1.995 -0.363 549 3HD1 ILE 73 3HD1 ILE 73 -0.875 0.744 0.341 550 H ILE 74 H ILE 74 -2.316 -2.196 4.248 551 HA ILE 74 HA ILE 74 -1.780 -4.791 3.527 552 HB ILE 74 HB ILE 74 -1.866 -3.276 6.092 553 1HG1 ILE 74 2HG1 ILE 74 0.345 -4.790 4.673 554 2HG1 ILE 74 1HG1 ILE 74 0.021 -3.079 4.478 555 1HG2 ILE 74 1HG2 ILE 74 -2.763 -5.510 6.655 556 2HG2 ILE 74 2HG2 ILE 74 -1.302 -6.250 5.956 557 3HG2 ILE 74 3HG2 ILE 74 -1.171 -5.196 7.385 558 1HD1 ILE 74 1HD1 ILE 74 0.638 -4.414 7.153 559 2HD1 ILE 74 2HD1 ILE 74 1.825 -3.539 6.158 560 3HD1 ILE 74 3HD1 ILE 74 0.443 -2.669 6.864 561 H ALA 75 H ALA 75 -4.752 -3.344 4.757 562 HA ALA 75 HA ALA 75 -5.879 -5.888 5.500 563 1HB ALA 75 1HB ALA 75 -6.486 -3.912 6.767 564 2HB ALA 75 2HB ALA 75 -6.994 -3.065 5.287 565 3HB ALA 75 3HB ALA 75 -7.921 -4.465 5.873 566 H LYS 76 H LYS 76 -5.641 -3.790 2.668 567 HA LYS 76 HA LYS 76 -7.873 -4.993 1.335 568 1HB LYS 76 2HB LYS 76 -6.862 -2.604 1.066 569 2HB LYS 76 1HB LYS 76 -5.711 -3.379 -0.003 570 1HG LYS 76 2HG LYS 76 -7.585 -2.587 -1.347 571 2HG LYS 76 1HG LYS 76 -7.624 -4.338 -1.332 572 1HD LYS 76 2HD LYS 76 -9.435 -4.398 0.252 573 2HD LYS 76 1HD LYS 76 -9.217 -2.715 0.689 574 1HE LYS 76 2HE LYS 76 -10.842 -2.236 -0.831 575 2HE LYS 76 1HE LYS 76 -9.652 -2.573 -2.072 576 1HZ LYS 76 1HZ LYS 76 -10.388 -4.786 -2.204 577 2HZ LYS 76 2HZ LYS 76 -11.313 -4.668 -0.863 578 3HZ LYS 76 3HZ LYS 76 -11.738 -3.867 -2.221 579 H VAL 77 H VAL 77 -4.471 -5.689 1.834 580 HA VAL 77 HA VAL 77 -4.300 -7.396 -0.480 581 HB VAL 77 HB VAL 77 -2.447 -6.881 1.854 582 1HG1 VAL 77 1HG1 VAL 77 -0.943 -8.363 1.038 583 2HG1 VAL 77 2HG1 VAL 77 -2.382 -9.120 0.313 584 3HG1 VAL 77 3HG1 VAL 77 -1.367 -8.025 -0.657 585 1HG2 VAL 77 1HG2 VAL 77 -1.128 -5.617 0.146 586 2HG2 VAL 77 2HG2 VAL 77 -2.479 -5.832 -0.995 587 3HG2 VAL 77 3HG2 VAL 77 -2.719 -4.900 0.503 588 H GLU 78 H GLU 78 -5.106 -7.597 2.966 589 HA GLU 78 HA GLU 78 -4.851 -10.446 2.964 590 1HB GLU 78 2HB GLU 78 -5.825 -8.422 5.015 591 2HB GLU 78 1HB GLU 78 -5.907 -10.148 5.305 592 1HG GLU 78 2HG GLU 78 -3.261 -9.449 4.298 593 2HG GLU 78 1HG GLU 78 -3.657 -8.432 5.669 594 H GLN 79 H GLN 79 -7.363 -7.965 2.534 595 HA GLN 79 HA GLN 79 -9.419 -9.985 2.671 596 1HB GLN 79 2HB GLN 79 -9.352 -6.977 2.616 597 2HB GLN 79 1HB GLN 79 -10.798 -7.764 2.019 598 1HG GLN 79 2HG GLN 79 -11.240 -7.466 4.332 599 2HG GLN 79 1HG GLN 79 -10.766 -9.150 4.216 600 1HE2 GLN 79 1HE2 GLN 79 -9.947 -5.983 5.330 601 2HE2 GLN 79 2HE2 GLN 79 -8.547 -6.385 6.267 602 H ALA 80 H ALA 80 -7.292 -9.956 0.529 603 HA ALA 80 HA ALA 80 -9.110 -9.699 -1.768 604 1HB ALA 80 1HB ALA 80 -7.618 -8.011 -2.256 605 2HB ALA 80 2HB ALA 80 -6.297 -8.761 -1.328 606 3HB ALA 80 3HB ALA 80 -6.719 -9.387 -2.939 607 H GLN 81 H GLN 81 -6.241 -11.352 -0.308 608 HA GLN 81 HA GLN 81 -5.746 -13.255 -2.079 609 1HB GLN 81 2HB GLN 81 -5.999 -13.623 0.938 610 2HB GLN 81 1HB GLN 81 -5.181 -14.752 -0.124 611 1HG GLN 81 2HG GLN 81 -4.407 -11.882 0.515 612 2HG GLN 81 1HG GLN 81 -3.455 -13.336 0.747 613 1HE2 GLN 81 1HE2 GLN 81 -4.674 -11.000 -1.531 614 2HE2 GLN 81 2HE2 GLN 81 -3.646 -11.391 -2.870 Start of MODEL 29 1 H ALA 2 H ALA 2 -2.683 -14.934 6.581 2 HA ALA 2 HA ALA 2 -1.932 -16.398 9.018 3 1HB ALA 2 1HB ALA 2 -2.057 -18.415 7.591 4 2HB ALA 2 2HB ALA 2 -3.605 -17.538 7.614 5 3HB ALA 2 3HB ALA 2 -2.527 -17.403 6.204 6 H ASP 3 H ASP 3 -0.936 -15.761 5.578 7 HA ASP 3 HA ASP 3 1.689 -16.617 6.085 8 1HB ASP 3 2HB ASP 3 0.196 -16.175 3.836 9 2HB ASP 3 1HB ASP 3 1.138 -14.696 3.847 10 H GLU 4 H GLU 4 3.651 -15.165 5.992 11 HA GLU 4 HA GLU 4 2.990 -12.514 7.012 12 1HB GLU 4 2HB GLU 4 4.701 -14.592 8.050 13 2HB GLU 4 1HB GLU 4 5.707 -13.220 7.630 14 1HG GLU 4 2HG GLU 4 4.854 -11.919 9.309 15 2HG GLU 4 1HG GLU 4 3.205 -12.421 8.991 16 H ALA 5 H ALA 5 4.439 -14.353 4.464 17 HA ALA 5 HA ALA 5 6.390 -12.441 3.674 18 1HB ALA 5 1HB ALA 5 6.999 -14.138 2.330 19 2HB ALA 5 2HB ALA 5 5.672 -15.089 3.041 20 3HB ALA 5 3HB ALA 5 5.401 -14.164 1.544 21 H ILE 6 H ILE 6 2.981 -12.443 3.676 22 HA ILE 6 HA ILE 6 2.788 -10.876 1.234 23 HB ILE 6 HB ILE 6 0.969 -12.432 2.941 24 1HG1 ILE 6 2HG1 ILE 6 1.071 -11.728 -0.006 25 2HG1 ILE 6 1HG1 ILE 6 1.634 -13.209 0.741 26 1HG2 ILE 6 1HG2 ILE 6 -0.073 -9.943 1.562 27 2HG2 ILE 6 2HG2 ILE 6 -1.026 -11.174 2.423 28 3HG2 ILE 6 3HG2 ILE 6 0.109 -10.139 3.321 29 1HD1 ILE 6 1HD1 ILE 6 -0.439 -14.041 0.322 30 2HD1 ILE 6 2HD1 ILE 6 -1.003 -13.013 1.661 31 3HD1 ILE 6 3HD1 ILE 6 -1.098 -12.422 -0.016 32 H LYS 7 H LYS 7 2.196 -10.593 4.796 33 HA LYS 7 HA LYS 7 1.481 -7.879 4.677 34 1HB LYS 7 2HB LYS 7 1.335 -9.826 6.556 35 2HB LYS 7 1HB LYS 7 2.725 -8.942 7.155 36 1HG LYS 7 2HG LYS 7 0.880 -6.930 6.412 37 2HG LYS 7 1HG LYS 7 -0.108 -8.170 7.158 38 1HD LYS 7 2HD LYS 7 2.404 -7.642 8.639 39 2HD LYS 7 1HD LYS 7 1.370 -6.233 8.521 40 1HE LYS 7 2HE LYS 7 -0.230 -7.128 9.904 41 2HE LYS 7 1HE LYS 7 -0.113 -8.718 9.179 42 1HZ LYS 7 1HZ LYS 7 1.003 -9.277 10.979 43 2HZ LYS 7 2HZ LYS 7 2.254 -8.365 10.461 44 3HZ LYS 7 3HZ LYS 7 1.156 -7.735 11.494 45 H ASN 8 H ASN 8 4.599 -9.617 4.961 46 HA ASN 8 HA ASN 8 6.053 -7.303 5.597 47 1HB ASN 8 2HB ASN 8 6.594 -9.991 5.636 48 2HB ASN 8 1HB ASN 8 7.399 -9.565 4.138 49 1HD2 ASN 8 1HD2 ASN 8 8.863 -10.506 6.182 50 2HD2 ASN 8 2HD2 ASN 8 9.855 -9.275 6.889 51 H GLY 9 H GLY 9 5.832 -9.375 2.596 52 1HA GLY 9 2HA GLY 9 7.310 -7.903 0.846 53 2HA GLY 9 1HA GLY 9 5.892 -8.834 0.409 54 H VAL 10 H VAL 10 3.891 -7.344 1.880 55 HA VAL 10 HA VAL 10 3.374 -5.321 0.008 56 HB VAL 10 HB VAL 10 2.180 -6.209 2.614 57 1HG1 VAL 10 1HG1 VAL 10 0.344 -4.571 2.277 58 2HG1 VAL 10 2HG1 VAL 10 1.903 -3.795 2.646 59 3HG1 VAL 10 3HG1 VAL 10 1.290 -3.812 0.974 60 1HG2 VAL 10 1HG2 VAL 10 0.939 -7.497 1.285 61 2HG2 VAL 10 2HG2 VAL 10 0.363 -6.068 0.393 62 3HG2 VAL 10 3HG2 VAL 10 1.851 -6.898 -0.122 63 H LEU 11 H LEU 11 4.246 -5.143 3.534 64 HA LEU 11 HA LEU 11 4.480 -2.374 3.587 65 1HB LEU 11 2HB LEU 11 4.663 -4.485 5.371 66 2HB LEU 11 1HB LEU 11 6.274 -3.795 5.393 67 HG LEU 11 HG LEU 11 3.668 -2.569 6.227 68 1HD1 LEU 11 1HD1 LEU 11 6.397 -2.953 7.437 69 2HD1 LEU 11 2HD1 LEU 11 5.255 -1.756 8.093 70 3HD1 LEU 11 3HD1 LEU 11 4.808 -3.478 8.041 71 1HD2 LEU 11 1HD2 LEU 11 5.534 -0.490 6.338 72 2HD2 LEU 11 2HD2 LEU 11 5.706 -1.181 4.706 73 3HD2 LEU 11 3HD2 LEU 11 4.115 -0.615 5.271 74 H ASP 12 H ASP 12 6.761 -4.961 2.633 75 HA ASP 12 HA ASP 12 9.019 -3.348 2.597 76 1HB ASP 12 2HB ASP 12 8.563 -5.996 2.266 77 2HB ASP 12 1HB ASP 12 8.691 -5.556 0.575 78 H ILE 13 H ILE 13 6.513 -4.233 0.140 79 HA ILE 13 HA ILE 13 7.790 -2.828 -1.976 80 HB ILE 13 HB ILE 13 5.305 -4.363 -1.542 81 1HG1 ILE 13 2HG1 ILE 13 6.691 -4.405 -4.142 82 2HG1 ILE 13 1HG1 ILE 13 7.720 -4.802 -2.780 83 1HG2 ILE 13 1HG2 ILE 13 5.500 -2.306 -3.761 84 2HG2 ILE 13 2HG2 ILE 13 4.253 -3.567 -3.603 85 3HG2 ILE 13 3HG2 ILE 13 4.369 -2.271 -2.388 86 1HD1 ILE 13 1HD1 ILE 13 4.983 -6.067 -2.917 87 2HD1 ILE 13 2HD1 ILE 13 6.274 -6.688 -3.976 88 3HD1 ILE 13 3HD1 ILE 13 6.486 -6.704 -2.208 89 H LEU 14 H LEU 14 5.903 -1.919 0.785 90 HA LEU 14 HA LEU 14 4.917 0.496 -0.470 91 1HB LEU 14 2HB LEU 14 4.454 -0.994 2.041 92 2HB LEU 14 1HB LEU 14 4.339 0.751 2.164 93 HG LEU 14 HG LEU 14 2.156 -0.244 1.776 94 1HD1 LEU 14 1HD1 LEU 14 2.465 0.989 -0.866 95 2HD1 LEU 14 2HD1 LEU 14 1.479 1.484 0.531 96 3HD1 LEU 14 3HD1 LEU 14 3.201 1.928 0.455 97 1HD2 LEU 14 1HD2 LEU 14 3.510 -1.503 -0.597 98 2HD2 LEU 14 2HD2 LEU 14 2.494 -2.251 0.659 99 3HD2 LEU 14 3HD2 LEU 14 1.753 -1.221 -0.588 100 H ALA 15 H ALA 15 7.352 -0.561 1.973 101 HA ALA 15 HA ALA 15 8.197 2.086 2.541 102 1HB ALA 15 1HB ALA 15 9.190 0.977 4.221 103 2HB ALA 15 2HB ALA 15 8.625 -0.555 3.512 104 3HB ALA 15 3HB ALA 15 10.221 0.096 3.067 105 H ASP 16 H ASP 16 9.225 -0.522 0.283 106 HA ASP 16 HA ASP 16 11.553 0.775 -0.528 107 1HB ASP 16 2HB ASP 16 10.796 -1.687 -0.879 108 2HB ASP 16 1HB ASP 16 9.859 -1.094 -2.236 109 H LEU 17 H LEU 17 8.135 1.202 -1.201 110 HA LEU 17 HA LEU 17 8.443 2.385 -3.776 111 1HB LEU 17 2HB LEU 17 6.393 1.368 -3.399 112 2HB LEU 17 1HB LEU 17 6.219 2.060 -1.797 113 HG LEU 17 HG LEU 17 6.284 4.270 -3.534 114 1HD1 LEU 17 1HD1 LEU 17 5.173 1.904 -4.874 115 2HD1 LEU 17 2HD1 LEU 17 4.073 3.303 -4.834 116 3HD1 LEU 17 3HD1 LEU 17 5.700 3.468 -5.540 117 1HD2 LEU 17 1HD2 LEU 17 3.674 3.154 -2.606 118 2HD2 LEU 17 2HD2 LEU 17 4.897 3.584 -1.386 119 3HD2 LEU 17 3HD2 LEU 17 4.308 4.815 -2.529 120 H THR 18 H THR 18 7.490 3.755 -0.542 121 HA THR 18 HA THR 18 7.799 6.418 -1.351 122 HB THR 18 HB THR 18 7.527 6.859 1.039 123 HG1 THR 18 1HG THR 18 8.170 4.003 1.259 124 1HG2 THR 18 1HG2 THR 18 6.140 4.285 1.258 125 2HG2 THR 18 2HG2 THR 18 5.445 5.922 1.177 126 3HG2 THR 18 3HG2 THR 18 5.820 5.038 -0.322 127 H GLY 19 H GLY 19 10.130 4.009 -0.144 128 1HA GLY 19 2HA GLY 19 12.398 4.094 -0.515 129 2HA GLY 19 1HA GLY 19 12.287 5.789 -0.945 130 H SER 20 H SER 20 10.486 5.066 1.913 131 HA SER 20 HA SER 20 12.778 5.836 3.542 132 1HB SER 20 2HB SER 20 10.961 7.663 3.032 133 2HB SER 20 1HB SER 20 9.958 6.768 4.157 134 HG SER 20 HG SER 20 12.497 7.167 5.193 135 H ASP 21 H ASP 21 12.639 5.099 5.828 136 HA ASP 21 HA ASP 21 11.211 2.599 5.933 137 1HB ASP 21 2HB ASP 21 12.576 2.781 8.318 138 2HB ASP 21 1HB ASP 21 13.234 2.075 6.855 139 H ASP 22 H ASP 22 9.843 5.292 6.146 140 HA ASP 22 HA ASP 22 9.263 5.642 8.901 141 1HB ASP 22 2HB ASP 22 8.870 7.072 6.442 142 2HB ASP 22 1HB ASP 22 7.283 6.840 7.145 143 H VAL 23 H VAL 23 7.739 4.192 5.969 144 HA VAL 23 HA VAL 23 5.287 3.592 7.314 145 HB VAL 23 HB VAL 23 5.450 4.100 4.913 146 1HG1 VAL 23 1HG1 VAL 23 7.119 1.584 4.886 147 2HG1 VAL 23 2HG1 VAL 23 6.235 2.124 3.439 148 3HG1 VAL 23 3HG1 VAL 23 7.470 3.175 4.171 149 1HG2 VAL 23 1HG2 VAL 23 4.304 1.698 4.270 150 2HG2 VAL 23 2HG2 VAL 23 4.165 1.695 6.045 151 3HG2 VAL 23 3HG2 VAL 23 3.472 3.035 5.100 152 H LYS 24 H LYS 24 8.414 2.010 6.692 153 HA LYS 24 HA LYS 24 7.668 -0.616 7.146 154 1HB LYS 24 2HB LYS 24 9.848 0.172 6.241 155 2HB LYS 24 1HB LYS 24 10.295 0.733 7.839 156 1HG LYS 24 2HG LYS 24 9.459 -1.888 8.334 157 2HG LYS 24 1HG LYS 24 10.229 -2.026 6.765 158 1HD LYS 24 2HD LYS 24 12.226 -0.742 7.752 159 2HD LYS 24 1HD LYS 24 11.466 -0.912 9.322 160 1HE LYS 24 2HE LYS 24 11.351 -3.518 8.385 161 2HE LYS 24 1HE LYS 24 12.843 -2.961 7.655 162 1HZ LYS 24 1HZ LYS 24 13.342 -2.087 9.975 163 2HZ LYS 24 2HZ LYS 24 12.161 -3.090 10.489 164 3HZ LYS 24 3HZ LYS 24 13.470 -3.696 9.723 165 H LYS 25 H LYS 25 7.686 2.120 9.283 166 HA LYS 25 HA LYS 25 7.488 0.287 11.572 167 1HB LYS 25 2HB LYS 25 9.424 1.789 11.703 168 2HB LYS 25 1HB LYS 25 8.382 3.184 11.504 169 1HG LYS 25 2HG LYS 25 7.680 1.257 13.707 170 2HG LYS 25 1HG LYS 25 9.107 2.247 13.940 171 1HD LYS 25 2HD LYS 25 7.393 4.175 13.063 172 2HD LYS 25 1HD LYS 25 6.227 3.074 13.767 173 1HE LYS 25 2HE LYS 25 6.835 3.631 15.891 174 2HE LYS 25 1HE LYS 25 8.538 3.405 15.542 175 1HZ LYS 25 1HZ LYS 25 8.669 5.590 15.638 176 2HZ LYS 25 2HZ LYS 25 7.867 5.673 14.218 177 3HZ LYS 25 3HZ LYS 25 7.049 5.801 15.626 178 H ASN 26 H ASN 26 6.445 3.689 10.855 179 HA ASN 26 HA ASN 26 4.194 3.578 12.356 180 1HB ASN 26 2HB ASN 26 5.030 5.177 9.925 181 2HB ASN 26 1HB ASN 26 3.372 5.331 10.470 182 1HD2 ASN 26 1HD2 ASN 26 3.078 7.027 11.678 183 2HD2 ASN 26 2HD2 ASN 26 4.149 7.669 12.878 184 H LEU 27 H LEU 27 2.056 2.807 12.006 185 HA LEU 27 HA LEU 27 1.656 1.381 9.475 186 1HB LEU 27 2HB LEU 27 0.346 0.946 12.162 187 2HB LEU 27 1HB LEU 27 0.041 0.021 10.706 188 HG LEU 27 HG LEU 27 2.838 -0.088 11.131 189 1HD1 LEU 27 1HD1 LEU 27 3.052 -0.987 13.371 190 2HD1 LEU 27 2HD1 LEU 27 2.408 0.671 13.438 191 3HD1 LEU 27 3HD1 LEU 27 1.319 -0.718 13.676 192 1HD2 LEU 27 1HD2 LEU 27 2.213 -2.534 11.702 193 2HD2 LEU 27 2HD2 LEU 27 0.550 -2.031 11.321 194 3HD2 LEU 27 3HD2 LEU 27 1.824 -1.897 10.086 195 H ASP 28 H ASP 28 1.370 4.290 9.795 196 HA ASP 28 HA ASP 28 -1.224 4.464 8.699 197 1HB ASP 28 2HB ASP 28 -0.987 4.871 11.515 198 2HB ASP 28 1HB ASP 28 -1.147 6.470 10.817 199 H LEU 29 H LEU 29 1.646 5.001 8.065 200 HA LEU 29 HA LEU 29 1.921 7.872 8.179 201 1HB LEU 29 2HB LEU 29 3.858 6.521 8.577 202 2HB LEU 29 1HB LEU 29 3.638 5.654 7.071 203 HG LEU 29 HG LEU 29 3.824 8.353 6.319 204 1HD1 LEU 29 1HD1 LEU 29 5.827 7.684 8.489 205 2HD1 LEU 29 2HD1 LEU 29 6.023 9.008 7.315 206 3HD1 LEU 29 3HD1 LEU 29 4.659 9.027 8.458 207 1HD2 LEU 29 1HD2 LEU 29 6.151 7.550 5.526 208 2HD2 LEU 29 2HD2 LEU 29 5.653 5.968 6.171 209 3HD2 LEU 29 3HD2 LEU 29 4.698 6.746 4.886 210 H ASN 30 H ASN 30 0.366 8.860 6.916 211 HA ASN 30 HA ASN 30 -0.828 8.023 4.728 212 1HB ASN 30 2HB ASN 30 0.004 10.677 5.759 213 2HB ASN 30 1HB ASN 30 -0.230 10.681 4.023 214 1HD2 ASN 30 1HD2 ASN 30 -1.762 9.164 6.866 215 2HD2 ASN 30 2HD2 ASN 30 -3.399 9.574 6.476 216 H LEU 31 H LEU 31 -0.092 7.210 2.761 217 HA LEU 31 HA LEU 31 2.635 7.840 1.971 218 1HB LEU 31 2HB LEU 31 0.746 5.894 0.662 219 2HB LEU 31 1HB LEU 31 2.493 5.963 0.540 220 HG LEU 31 HG LEU 31 1.184 5.446 3.202 221 1HD1 LEU 31 1HD1 LEU 31 0.465 3.882 1.143 222 2HD1 LEU 31 2HD1 LEU 31 1.997 3.090 1.584 223 3HD1 LEU 31 3HD1 LEU 31 0.706 3.270 2.797 224 1HD2 LEU 31 1HD2 LEU 31 3.696 5.949 2.811 225 2HD2 LEU 31 2HD2 LEU 31 3.236 4.585 3.857 226 3HD2 LEU 31 3HD2 LEU 31 3.765 4.284 2.186 227 H PHE 32 H PHE 32 0.189 9.726 1.842 228 HA PHE 32 HA PHE 32 0.681 10.489 -0.928 229 1HB PHE 32 2HB PHE 32 -1.920 9.823 0.503 230 2HB PHE 32 1HB PHE 32 -1.959 11.126 -0.669 231 HD1 PHE 32 1HD PHE 32 -0.114 10.105 -2.743 232 HD2 PHE 32 2HD PHE 32 -3.107 8.096 -0.504 233 HE1 PHE 32 1HE PHE 32 -0.378 8.431 -4.596 234 HE2 PHE 32 2HE PHE 32 -3.371 6.423 -2.356 235 HZ PHE 32 HZ PHE 32 -2.003 6.611 -4.380 236 H GLU 33 H GLU 33 -1.132 11.405 2.094 237 HA GLU 33 HA GLU 33 -0.910 14.138 1.547 238 1HB GLU 33 2HB GLU 33 -2.409 12.623 3.259 239 2HB GLU 33 1HB GLU 33 -1.226 13.258 4.386 240 1HG GLU 33 2HG GLU 33 -2.241 15.320 2.523 241 2HG GLU 33 1HG GLU 33 -3.515 14.595 3.483 242 H THR 34 H THR 34 1.395 11.828 2.569 243 HA THR 34 HA THR 34 2.944 13.737 4.131 244 HB THR 34 HB THR 34 3.550 10.836 3.362 245 HG1 THR 34 1HG THR 34 2.080 12.176 5.515 246 1HG2 THR 34 1HG2 THR 34 5.075 10.847 5.164 247 2HG2 THR 34 2HG2 THR 34 5.300 12.493 4.523 248 3HG2 THR 34 3HG2 THR 34 4.276 12.227 5.955 249 H GLY 35 H GLY 35 2.582 12.654 0.853 250 1HA GLY 35 2HA GLY 35 3.597 13.792 -0.911 251 2HA GLY 35 1HA GLY 35 4.928 14.254 0.128 252 H LEU 36 H LEU 36 4.413 11.094 0.981 253 HA LEU 36 HA LEU 36 6.735 10.159 -0.204 254 1HB LEU 36 2HB LEU 36 4.410 8.924 1.205 255 2HB LEU 36 1HB LEU 36 5.554 7.875 0.391 256 HG LEU 36 HG LEU 36 6.328 7.941 2.581 257 1HD1 LEU 36 1HD1 LEU 36 7.957 8.812 0.635 258 2HD1 LEU 36 2HD1 LEU 36 8.039 10.215 1.729 259 3HD1 LEU 36 3HD1 LEU 36 8.480 8.595 2.322 260 1HD2 LEU 36 1HD2 LEU 36 5.550 10.847 2.555 261 2HD2 LEU 36 2HD2 LEU 36 5.041 9.547 3.658 262 3HD2 LEU 36 3HD2 LEU 36 6.689 10.211 3.767 263 H LEU 37 H LEU 37 3.280 9.442 -1.079 264 HA LEU 37 HA LEU 37 4.289 8.749 -3.750 265 1HB LEU 37 2HB LEU 37 3.114 7.031 -2.092 266 2HB LEU 37 1HB LEU 37 1.664 7.748 -2.766 267 HG LEU 37 HG LEU 37 2.402 7.143 -5.037 268 1HD1 LEU 37 1HD1 LEU 37 4.364 5.290 -4.865 269 2HD1 LEU 37 2HD1 LEU 37 4.638 7.002 -5.269 270 3HD1 LEU 37 3HD1 LEU 37 4.891 6.429 -3.603 271 1HD2 LEU 37 1HD2 LEU 37 2.063 4.728 -4.850 272 2HD2 LEU 37 2HD2 LEU 37 2.388 4.809 -3.102 273 3HD2 LEU 37 3HD2 LEU 37 0.957 5.623 -3.780 274 H ASP 38 H ASP 38 2.465 9.068 -5.478 275 HA ASP 38 HA ASP 38 1.098 11.558 -4.819 276 1HB ASP 38 2HB ASP 38 2.765 10.782 -7.218 277 2HB ASP 38 1HB ASP 38 1.419 11.876 -7.465 278 H SER 39 H SER 39 1.360 8.846 -7.249 279 HA SER 39 HA SER 39 -1.204 7.942 -6.861 280 1HB SER 39 2HB SER 39 -2.121 9.933 -7.820 281 2HB SER 39 1HB SER 39 -0.921 9.977 -9.095 282 HG SER 39 HG SER 39 -3.324 8.532 -8.939 283 H MET 40 H MET 40 0.961 8.712 -9.693 284 HA MET 40 HA MET 40 0.597 6.424 -11.076 285 1HB MET 40 2HB MET 40 3.073 6.872 -11.820 286 2HB MET 40 1HB MET 40 1.914 8.162 -12.072 287 1HG MET 40 2HG MET 40 2.875 8.538 -9.420 288 2HG MET 40 1HG MET 40 4.293 8.136 -10.368 289 1HE MET 40 1HE MET 40 0.950 9.789 -11.472 290 2HE MET 40 2HE MET 40 1.271 10.617 -9.929 291 3HE MET 40 3HE MET 40 1.354 11.523 -11.458 292 H GLY 41 H GLY 41 2.266 6.850 -8.016 293 1HA GLY 41 2HA GLY 41 3.998 4.618 -8.134 294 2HA GLY 41 1HA GLY 41 3.437 5.452 -6.698 295 H THR 42 H THR 42 0.718 5.094 -6.626 296 HA THR 42 HA THR 42 0.387 2.581 -5.594 297 HB THR 42 HB THR 42 -1.090 4.898 -5.811 298 HG1 THR 42 1HG THR 42 -1.286 3.258 -4.162 299 1HG2 THR 42 1HG2 THR 42 -2.840 2.781 -7.099 300 2HG2 THR 42 2HG2 THR 42 -3.088 4.543 -7.024 301 3HG2 THR 42 3HG2 THR 42 -1.881 3.861 -8.141 302 H VAL 43 H VAL 43 0.109 3.635 -8.994 303 HA VAL 43 HA VAL 43 -1.201 1.404 -9.980 304 HB VAL 43 HB VAL 43 0.859 3.247 -11.199 305 1HG1 VAL 43 1HG1 VAL 43 -0.485 2.371 -13.348 306 2HG1 VAL 43 2HG1 VAL 43 0.996 1.583 -12.753 307 3HG1 VAL 43 3HG1 VAL 43 -0.598 0.909 -12.339 308 1HG2 VAL 43 1HG2 VAL 43 -0.821 4.680 -11.664 309 2HG2 VAL 43 2HG2 VAL 43 -1.969 3.373 -12.044 310 3HG2 VAL 43 3HG2 VAL 43 -1.672 3.832 -10.350 311 H GLN 44 H GLN 44 2.060 1.818 -8.732 312 HA GLN 44 HA GLN 44 3.096 -0.450 -10.080 313 1HB GLN 44 2HB GLN 44 4.559 1.399 -9.362 314 2HB GLN 44 1HB GLN 44 4.126 1.134 -7.684 315 1HG GLN 44 2HG GLN 44 5.400 -0.813 -7.507 316 2HG GLN 44 1HG GLN 44 5.205 -1.231 -9.197 317 1HE2 GLN 44 1HE2 GLN 44 7.628 -1.511 -8.258 318 2HE2 GLN 44 2HE2 GLN 44 8.717 -0.268 -8.775 319 H LEU 45 H LEU 45 2.623 0.194 -6.524 320 HA LEU 45 HA LEU 45 2.923 -2.295 -5.577 321 1HB LEU 45 2HB LEU 45 0.845 -1.434 -4.052 322 2HB LEU 45 1HB LEU 45 2.529 -1.010 -3.822 323 HG LEU 45 HG LEU 45 0.940 0.702 -5.679 324 1HD1 LEU 45 1HD1 LEU 45 -0.690 1.105 -4.221 325 2HD1 LEU 45 2HD1 LEU 45 0.129 0.192 -2.931 326 3HD1 LEU 45 3HD1 LEU 45 0.533 1.904 -3.205 327 1HD2 LEU 45 1HD2 LEU 45 2.832 1.854 -5.526 328 2HD2 LEU 45 2HD2 LEU 45 2.401 2.232 -3.841 329 3HD2 LEU 45 3HD2 LEU 45 3.425 0.822 -4.204 330 H LEU 46 H LEU 46 -0.081 -0.953 -7.077 331 HA LEU 46 HA LEU 46 -1.734 -3.093 -6.660 332 1HB LEU 46 2HB LEU 46 -1.672 -0.730 -8.241 333 2HB LEU 46 1HB LEU 46 -2.187 -2.047 -9.277 334 HG LEU 46 HG LEU 46 -3.514 -0.933 -6.822 335 1HD1 LEU 46 1HD1 LEU 46 -4.328 0.069 -8.767 336 2HD1 LEU 46 2HD1 LEU 46 -4.306 -1.458 -9.682 337 3HD1 LEU 46 3HD1 LEU 46 -5.522 -1.201 -8.407 338 1HD2 LEU 46 1HD2 LEU 46 -3.961 -2.990 -6.074 339 2HD2 LEU 46 2HD2 LEU 46 -5.070 -3.111 -7.462 340 3HD2 LEU 46 3HD2 LEU 46 -3.418 -3.760 -7.584 341 H LEU 47 H LEU 47 0.665 -2.576 -9.317 342 HA LEU 47 HA LEU 47 0.056 -4.993 -10.620 343 1HB LEU 47 2HB LEU 47 1.502 -2.754 -11.186 344 2HB LEU 47 1HB LEU 47 2.783 -3.910 -10.881 345 HG LEU 47 HG LEU 47 2.257 -3.799 -13.249 346 1HD1 LEU 47 1HD1 LEU 47 1.514 -6.390 -11.879 347 2HD1 LEU 47 2HD1 LEU 47 1.723 -6.240 -13.641 348 3HD1 LEU 47 3HD1 LEU 47 3.089 -5.903 -12.550 349 1HD2 LEU 47 1HD2 LEU 47 -0.481 -3.839 -12.296 350 2HD2 LEU 47 2HD2 LEU 47 0.172 -3.367 -13.883 351 3HD2 LEU 47 3HD2 LEU 47 -0.210 -5.074 -13.548 352 H GLU 48 H GLU 48 1.823 -4.204 -7.710 353 HA GLU 48 HA GLU 48 3.263 -6.699 -7.815 354 1HB GLU 48 2HB GLU 48 3.908 -4.234 -6.782 355 2HB GLU 48 1HB GLU 48 3.348 -5.049 -5.335 356 1HG GLU 48 2HG GLU 48 5.789 -5.379 -5.664 357 2HG GLU 48 1HG GLU 48 4.932 -6.907 -5.714 358 H LEU 49 H LEU 49 0.285 -5.360 -6.605 359 HA LEU 49 HA LEU 49 0.031 -7.406 -4.558 360 1HB LEU 49 2HB LEU 49 -0.633 -4.955 -4.301 361 2HB LEU 49 1HB LEU 49 -1.993 -5.318 -5.344 362 HG LEU 49 HG LEU 49 -2.716 -7.074 -3.711 363 1HD1 LEU 49 1HD1 LEU 49 -0.505 -7.463 -2.679 364 2HD1 LEU 49 2HD1 LEU 49 -0.604 -5.861 -1.908 365 3HD1 LEU 49 3HD1 LEU 49 -1.779 -7.128 -1.481 366 1HD2 LEU 49 1HD2 LEU 49 -2.974 -4.257 -3.577 367 2HD2 LEU 49 2HD2 LEU 49 -4.089 -5.502 -2.964 368 3HD2 LEU 49 3HD2 LEU 49 -2.816 -4.849 -1.906 369 H GLN 50 H GLN 50 -0.507 -6.988 -7.917 370 HA GLN 50 HA GLN 50 -2.631 -8.979 -7.846 371 1HB GLN 50 2HB GLN 50 -3.171 -6.905 -9.076 372 2HB GLN 50 1HB GLN 50 -1.750 -7.102 -10.083 373 1HG GLN 50 2HG GLN 50 -2.657 -8.913 -11.270 374 2HG GLN 50 1HG GLN 50 -3.713 -9.389 -9.955 375 1HE2 GLN 50 1HE2 GLN 50 -5.071 -9.449 -12.028 376 2HE2 GLN 50 2HE2 GLN 50 -6.035 -8.050 -12.365 377 H SER 51 H SER 51 0.465 -9.230 -7.549 378 HA SER 51 HA SER 51 0.722 -11.214 -9.670 379 1HB SER 51 2HB SER 51 2.596 -9.056 -8.797 380 2HB SER 51 1HB SER 51 3.332 -10.616 -9.105 381 HG SER 51 HG SER 51 1.689 -10.270 -11.157 382 H GLN 52 H GLN 52 2.152 -10.131 -6.497 383 HA GLN 52 HA GLN 52 2.783 -12.847 -5.872 384 1HB GLN 52 2HB GLN 52 3.079 -10.267 -4.272 385 2HB GLN 52 1HB GLN 52 3.663 -11.828 -3.733 386 1HG GLN 52 2HG GLN 52 4.486 -10.913 -6.484 387 2HG GLN 52 1HG GLN 52 5.225 -10.110 -5.112 388 1HE2 GLN 52 1HE2 GLN 52 6.929 -10.994 -4.217 389 2HE2 GLN 52 2HE2 GLN 52 7.472 -12.630 -4.393 390 H PHE 53 H PHE 53 0.159 -10.583 -5.363 391 HA PHE 53 HA PHE 53 -1.012 -12.467 -3.438 392 1HB PHE 53 2HB PHE 53 -1.709 -9.505 -3.763 393 2HB PHE 53 1HB PHE 53 -2.007 -10.520 -2.366 394 HD1 PHE 53 1HD PHE 53 0.840 -9.165 -4.363 395 HD2 PHE 53 2HD PHE 53 -0.593 -10.344 -0.546 396 HE1 PHE 53 1HE PHE 53 2.964 -8.339 -3.311 397 HE2 PHE 53 2HE PHE 53 1.532 -9.519 0.507 398 HZ PHE 53 HZ PHE 53 3.285 -8.527 -0.888 399 H GLY 54 H GLY 54 -1.109 -11.228 -6.591 400 1HA GLY 54 2HA GLY 54 -2.742 -10.992 -8.154 401 2HA GLY 54 1HA GLY 54 -3.199 -12.576 -7.559 402 H VAL 55 H VAL 55 -3.437 -9.236 -6.132 403 HA VAL 55 HA VAL 55 -6.014 -9.812 -5.079 404 HB VAL 55 HB VAL 55 -4.205 -8.289 -4.147 405 1HG1 VAL 55 1HG1 VAL 55 -3.969 -7.076 -6.411 406 2HG1 VAL 55 2HG1 VAL 55 -5.425 -6.173 -5.926 407 3HG1 VAL 55 3HG1 VAL 55 -3.952 -6.089 -4.930 408 1HG2 VAL 55 1HG2 VAL 55 -6.601 -6.596 -4.122 409 2HG2 VAL 55 2HG2 VAL 55 -6.952 -8.317 -3.833 410 3HG2 VAL 55 3HG2 VAL 55 -5.791 -7.458 -2.792 411 H ASP 56 H ASP 56 -7.942 -8.339 -5.560 412 HA ASP 56 HA ASP 56 -8.000 -7.862 -8.437 413 1HB ASP 56 2HB ASP 56 -9.907 -9.210 -6.564 414 2HB ASP 56 1HB ASP 56 -10.647 -8.157 -7.754 415 H ALA 57 H ALA 57 -7.088 -5.774 -6.923 416 HA ALA 57 HA ALA 57 -9.244 -4.207 -5.859 417 1HB ALA 57 1HB ALA 57 -7.551 -3.129 -4.833 418 2HB ALA 57 2HB ALA 57 -6.468 -4.357 -5.531 419 3HB ALA 57 3HB ALA 57 -6.725 -2.812 -6.377 420 HA PRO 58 HA PRO 58 -10.215 -2.159 -9.546 421 1HB PRO 58 2HB PRO 58 -11.464 0.068 -8.572 422 2HB PRO 58 1HB PRO 58 -12.256 -1.488 -8.714 423 1HG PRO 58 2HG PRO 58 -11.248 -0.138 -6.287 424 2HG PRO 58 1HG PRO 58 -12.395 -1.457 -6.412 425 1HD PRO 58 2HD PRO 58 -9.638 -1.648 -5.644 426 2HD PRO 58 1HD PRO 58 -10.754 -2.977 -5.884 427 H VAL 59 H VAL 59 -10.283 0.320 -10.455 428 HA VAL 59 HA VAL 59 -7.897 1.673 -9.576 429 HB VAL 59 HB VAL 59 -8.080 0.555 -12.380 430 1HG1 VAL 59 1HG1 VAL 59 -5.655 1.850 -11.143 431 2HG1 VAL 59 2HG1 VAL 59 -6.058 1.614 -12.861 432 3HG1 VAL 59 3HG1 VAL 59 -6.927 2.836 -11.903 433 1HG2 VAL 59 1HG2 VAL 59 -7.589 -1.259 -10.871 434 2HG2 VAL 59 2HG2 VAL 59 -6.086 -0.801 -11.706 435 3HG2 VAL 59 3HG2 VAL 59 -6.362 -0.288 -10.025 436 H SER 60 H SER 60 -10.561 1.309 -11.983 437 HA SER 60 HA SER 60 -10.680 3.587 -13.216 438 1HB SER 60 2HB SER 60 -13.244 3.559 -12.790 439 2HB SER 60 1HB SER 60 -12.518 2.142 -13.524 440 HG SER 60 HG SER 60 -12.757 0.978 -11.659 441 H GLU 61 H GLU 61 -11.730 3.188 -9.763 442 HA GLU 61 HA GLU 61 -10.736 5.643 -9.005 443 1HB GLU 61 2HB GLU 61 -13.193 5.923 -10.388 444 2HB GLU 61 1HB GLU 61 -13.608 6.090 -8.693 445 1HG GLU 61 2HG GLU 61 -12.193 7.966 -8.388 446 2HG GLU 61 1HG GLU 61 -11.195 7.569 -9.773 447 H PHE 62 H PHE 62 -10.006 4.033 -7.423 448 HA PHE 62 HA PHE 62 -12.063 2.905 -5.727 449 1HB PHE 62 2HB PHE 62 -9.945 1.884 -4.668 450 2HB PHE 62 1HB PHE 62 -10.151 1.501 -6.366 451 HD1 PHE 62 1HD PHE 62 -8.593 4.212 -4.310 452 HD2 PHE 62 2HD PHE 62 -8.267 1.644 -7.673 453 HE1 PHE 62 1HE PHE 62 -6.311 5.137 -4.796 454 HE2 PHE 62 2HE PHE 62 -5.985 2.568 -8.159 455 HZ PHE 62 HZ PHE 62 -5.034 4.305 -6.714 456 H ASP 63 H ASP 63 -10.759 2.845 -3.244 457 HA ASP 63 HA ASP 63 -11.120 5.603 -2.498 458 1HB ASP 63 2HB ASP 63 -10.567 4.127 -0.177 459 2HB ASP 63 1HB ASP 63 -12.158 4.571 -0.765 460 H ARG 64 H ARG 64 -9.089 6.585 -3.097 461 HA ARG 64 HA ARG 64 -6.644 5.460 -2.864 462 1HB ARG 64 2HB ARG 64 -7.747 8.184 -3.110 463 2HB ARG 64 1HB ARG 64 -6.228 8.186 -2.234 464 1HG ARG 64 2HG ARG 64 -5.272 6.728 -4.135 465 2HG ARG 64 1HG ARG 64 -6.743 7.066 -5.024 466 1HD ARG 64 2HD ARG 64 -4.825 8.635 -5.570 467 2HD ARG 64 1HD ARG 64 -6.287 9.452 -5.055 468 HE ARG 64 HE ARG 64 -4.502 8.861 -2.820 469 1HH1 ARG 64 2HH2 ARG 64 -5.167 11.144 -5.415 470 2HH1 ARG 64 1HH2 ARG 64 -4.383 12.470 -4.622 471 1HH2 ARG 64 2HH1 ARG 64 -3.470 10.610 -1.773 472 2HH2 ARG 64 1HH1 ARG 64 -3.412 12.164 -2.536 473 H LYS 65 H LYS 65 -8.649 7.091 -0.377 474 HA LYS 65 HA LYS 65 -6.757 7.509 1.571 475 1HB LYS 65 2HB LYS 65 -8.801 8.466 2.022 476 2HB LYS 65 1HB LYS 65 -9.712 7.050 1.536 477 1HG LYS 65 2HG LYS 65 -9.513 6.030 3.604 478 2HG LYS 65 1HG LYS 65 -7.901 6.656 3.883 479 1HD LYS 65 2HD LYS 65 -9.351 8.995 3.927 480 2HD LYS 65 1HD LYS 65 -10.549 7.872 4.540 481 1HE LYS 65 2HE LYS 65 -8.537 7.033 6.083 482 2HE LYS 65 1HE LYS 65 -7.863 8.610 5.725 483 1HZ LYS 65 1HZ LYS 65 -10.439 8.033 6.999 484 2HZ LYS 65 2HZ LYS 65 -9.166 8.835 7.634 485 3HZ LYS 65 3HZ LYS 65 -10.052 9.519 6.444 486 H GLU 66 H GLU 66 -8.367 4.501 0.519 487 HA GLU 66 HA GLU 66 -7.445 3.033 2.751 488 1HB GLU 66 2HB GLU 66 -9.429 2.253 1.641 489 2HB GLU 66 1HB GLU 66 -8.651 2.261 0.070 490 1HG GLU 66 2HG GLU 66 -7.235 0.379 0.657 491 2HG GLU 66 1HG GLU 66 -7.676 0.488 2.350 492 H TRP 67 H TRP 67 -6.136 3.996 -0.376 493 HA TRP 67 HA TRP 67 -3.944 2.076 -0.066 494 1HB TRP 67 2HB TRP 67 -4.516 3.816 -2.461 495 2HB TRP 67 1HB TRP 67 -3.455 2.425 -2.361 496 HD1 TRP 67 HD TRP 67 -7.114 3.319 -2.916 497 HE1 TRP 67 1HE TRP 67 -8.565 1.201 -3.528 498 HE3 TRP 67 3HE TRP 67 -3.517 -0.109 -1.837 499 HZ2 TRP 67 2HZ TRP 67 -8.056 -1.607 -3.492 500 HZ3 TRP 67 3HZ TRP 67 -4.076 -2.518 -2.153 501 HH2 TRP 67 HH TRP 67 -6.255 -3.285 -2.950 502 H ASP 68 H ASP 68 -4.583 4.674 1.497 503 HA ASP 68 HA ASP 68 -2.359 6.300 0.629 504 1HB ASP 68 2HB ASP 68 -4.174 7.690 1.166 505 2HB ASP 68 1HB ASP 68 -4.724 6.648 2.464 506 H THR 69 H THR 69 -3.495 4.102 3.203 507 HA THR 69 HA THR 69 -0.937 4.488 4.615 508 HB THR 69 HB THR 69 -2.521 3.356 6.488 509 HG1 THR 69 1HG THR 69 -4.687 3.755 5.960 510 1HG2 THR 69 1HG2 THR 69 -3.320 6.195 5.928 511 2HG2 THR 69 2HG2 THR 69 -2.727 5.467 7.440 512 3HG2 THR 69 3HG2 THR 69 -1.578 5.904 6.153 513 HA PRO 70 HA PRO 70 0.001 0.361 3.921 514 1HB PRO 70 2HB PRO 70 1.332 -0.389 6.186 515 2HB PRO 70 1HB PRO 70 2.071 0.558 4.910 516 1HG PRO 70 2HG PRO 70 1.134 1.444 7.570 517 2HG PRO 70 1HG PRO 70 2.235 2.249 6.470 518 1HD PRO 70 2HD PRO 70 -0.518 2.909 6.929 519 2HD PRO 70 1HD PRO 70 0.550 3.636 5.747 520 H ASN 71 H ASN 71 -1.392 0.799 7.121 521 HA ASN 71 HA ASN 71 -2.148 -1.825 7.440 522 1HB ASN 71 2HB ASN 71 -2.736 0.783 8.671 523 2HB ASN 71 1HB ASN 71 -4.161 -0.236 8.673 524 1HD2 ASN 71 1HD2 ASN 71 -2.393 0.685 10.841 525 2HD2 ASN 71 2HD2 ASN 71 -1.850 -0.728 11.683 526 H LYS 72 H LYS 72 -3.943 1.066 6.149 527 HA LYS 72 HA LYS 72 -6.355 -0.173 5.646 528 1HB LYS 72 2HB LYS 72 -4.937 2.248 4.619 529 2HB LYS 72 1HB LYS 72 -6.339 1.690 3.728 530 1HG LYS 72 2HG LYS 72 -7.640 1.660 5.913 531 2HG LYS 72 1HG LYS 72 -6.247 2.368 6.705 532 1HD LYS 72 2HD LYS 72 -6.778 3.937 4.350 533 2HD LYS 72 1HD LYS 72 -8.308 3.694 5.168 534 1HE LYS 72 2HE LYS 72 -7.735 5.270 6.693 535 2HE LYS 72 1HE LYS 72 -6.398 4.267 7.219 536 1HZ LYS 72 1HZ LYS 72 -5.457 5.318 4.957 537 2HZ LYS 72 2HZ LYS 72 -6.372 6.552 5.512 538 3HZ LYS 72 3HZ LYS 72 -5.182 5.935 6.443 539 H ILE 73 H ILE 73 -3.277 -0.235 3.847 540 HA ILE 73 HA ILE 73 -4.479 -1.486 1.562 541 HB ILE 73 HB ILE 73 -1.698 -0.742 2.400 542 1HG1 ILE 73 2HG1 ILE 73 -3.556 0.069 0.152 543 2HG1 ILE 73 1HG1 ILE 73 -3.011 1.050 1.497 544 1HG2 ILE 73 1HG2 ILE 73 -2.422 -2.927 0.624 545 2HG2 ILE 73 2HG2 ILE 73 -1.482 -1.670 -0.214 546 3HG2 ILE 73 3HG2 ILE 73 -0.830 -2.439 1.254 547 1HD1 ILE 73 1HD1 ILE 73 -1.648 0.432 -1.044 548 2HD1 ILE 73 2HD1 ILE 73 -1.368 1.770 0.096 549 3HD1 ILE 73 3HD1 ILE 73 -0.606 0.186 0.377 550 H ILE 74 H ILE 74 -2.261 -2.501 4.251 551 HA ILE 74 HA ILE 74 -1.952 -5.113 3.577 552 HB ILE 74 HB ILE 74 -1.931 -3.544 6.080 553 1HG1 ILE 74 2HG1 ILE 74 0.052 -5.618 5.160 554 2HG1 ILE 74 1HG1 ILE 74 -0.014 -4.041 4.398 555 1HG2 ILE 74 1HG2 ILE 74 -3.128 -5.287 7.056 556 2HG2 ILE 74 2HG2 ILE 74 -2.353 -6.524 6.038 557 3HG2 ILE 74 3HG2 ILE 74 -1.430 -5.739 7.341 558 1HD1 ILE 74 1HD1 ILE 74 0.003 -3.176 6.933 559 2HD1 ILE 74 2HD1 ILE 74 0.757 -4.762 7.218 560 3HD1 ILE 74 3HD1 ILE 74 1.515 -3.605 6.098 561 H ALA 75 H ALA 75 -4.826 -3.483 4.912 562 HA ALA 75 HA ALA 75 -6.196 -5.829 5.648 563 1HB ALA 75 1HB ALA 75 -6.619 -3.377 6.315 564 2HB ALA 75 2HB ALA 75 -7.453 -3.218 4.750 565 3HB ALA 75 3HB ALA 75 -8.048 -4.377 5.964 566 H LYS 76 H LYS 76 -6.196 -3.781 2.657 567 HA LYS 76 HA LYS 76 -8.063 -5.460 1.336 568 1HB LYS 76 2HB LYS 76 -7.393 -2.934 0.971 569 2HB LYS 76 1HB LYS 76 -6.194 -3.612 -0.112 570 1HG LYS 76 2HG LYS 76 -8.007 -3.340 -1.568 571 2HG LYS 76 1HG LYS 76 -8.219 -5.010 -1.080 572 1HD LYS 76 2HD LYS 76 -10.062 -4.535 0.280 573 2HD LYS 76 1HD LYS 76 -9.530 -2.902 0.624 574 1HE LYS 76 2HE LYS 76 -10.902 -2.125 -1.005 575 2HE LYS 76 1HE LYS 76 -9.965 -3.002 -2.199 576 1HZ LYS 76 1HZ LYS 76 -12.316 -3.952 -0.735 577 2HZ LYS 76 2HZ LYS 76 -12.129 -3.799 -2.350 578 3HZ LYS 76 3HZ LYS 76 -11.334 -4.976 -1.544 579 H VAL 77 H VAL 77 -4.809 -5.871 2.234 580 HA VAL 77 HA VAL 77 -4.136 -7.446 -0.109 581 HB VAL 77 HB VAL 77 -2.623 -6.747 2.416 582 1HG1 VAL 77 1HG1 VAL 77 -0.927 -7.588 0.255 583 2HG1 VAL 77 2HG1 VAL 77 -1.092 -8.277 1.887 584 3HG1 VAL 77 3HG1 VAL 77 -2.141 -8.850 0.568 585 1HG2 VAL 77 1HG2 VAL 77 -1.968 -4.867 1.402 586 2HG2 VAL 77 2HG2 VAL 77 -1.538 -5.742 -0.087 587 3HG2 VAL 77 3HG2 VAL 77 -3.209 -5.183 0.166 588 H GLU 78 H GLU 78 -5.065 -7.791 3.333 589 HA GLU 78 HA GLU 78 -4.618 -10.611 3.237 590 1HB GLU 78 2HB GLU 78 -5.902 -8.833 5.358 591 2HB GLU 78 1HB GLU 78 -5.573 -10.542 5.567 592 1HG GLU 78 2HG GLU 78 -3.253 -8.913 4.621 593 2HG GLU 78 1HG GLU 78 -3.812 -8.539 6.239 594 H GLN 79 H GLN 79 -7.225 -8.324 2.634 595 HA GLN 79 HA GLN 79 -9.224 -10.375 2.877 596 1HB GLN 79 2HB GLN 79 -9.162 -7.437 2.718 597 2HB GLN 79 1HB GLN 79 -10.415 -8.120 1.700 598 1HG GLN 79 2HG GLN 79 -11.639 -8.906 3.488 599 2HG GLN 79 1HG GLN 79 -10.215 -9.358 4.405 600 1HE2 GLN 79 1HE2 GLN 79 -12.502 -8.034 5.406 601 2HE2 GLN 79 2HE2 GLN 79 -12.041 -6.471 5.994 602 H ALA 80 H ALA 80 -6.908 -10.312 0.796 603 HA ALA 80 HA ALA 80 -8.597 -10.417 -1.605 604 1HB ALA 80 1HB ALA 80 -5.577 -10.114 -1.373 605 2HB ALA 80 2HB ALA 80 -6.548 -10.008 -2.860 606 3HB ALA 80 3HB ALA 80 -6.716 -8.765 -1.597 607 H GLN 81 H GLN 81 -5.958 -12.050 0.256 608 HA GLN 81 HA GLN 81 -5.547 -14.198 -1.287 609 1HB GLN 81 2HB GLN 81 -5.799 -14.174 1.753 610 2HB GLN 81 1HB GLN 81 -4.997 -15.425 0.826 611 1HG GLN 81 2HG GLN 81 -4.183 -12.507 1.117 612 2HG GLN 81 1HG GLN 81 -3.263 -13.928 1.568 613 1HE2 GLN 81 1HE2 GLN 81 -4.310 -11.850 -0.998 614 2HE2 GLN 81 2HE2 GLN 81 -3.289 -12.457 -2.259 Start of MODEL 30 1 H ALA 2 H ALA 2 -2.788 -13.762 5.330 2 HA ALA 2 HA ALA 2 -2.292 -14.664 7.291 3 1HB ALA 2 1HB ALA 2 -3.653 -16.579 6.587 4 2HB ALA 2 2HB ALA 2 -2.256 -17.286 5.741 5 3HB ALA 2 3HB ALA 2 -2.243 -17.141 7.515 6 H ASP 3 H ASP 3 -0.345 -16.308 4.697 7 HA ASP 3 HA ASP 3 1.878 -16.826 6.074 8 1HB ASP 3 2HB ASP 3 1.526 -15.755 3.247 9 2HB ASP 3 1HB ASP 3 3.104 -16.221 3.847 10 H GLU 4 H GLU 4 3.942 -15.635 6.420 11 HA GLU 4 HA GLU 4 3.432 -12.867 6.958 12 1HB GLU 4 2HB GLU 4 5.067 -14.912 8.084 13 2HB GLU 4 1HB GLU 4 6.172 -13.696 7.478 14 1HG GLU 4 2HG GLU 4 5.715 -12.852 9.613 15 2HG GLU 4 1HG GLU 4 4.537 -11.980 8.652 16 H ALA 5 H ALA 5 4.429 -14.640 4.280 17 HA ALA 5 HA ALA 5 6.563 -12.956 3.401 18 1HB ALA 5 1HB ALA 5 5.716 -14.258 1.171 19 2HB ALA 5 2HB ALA 5 6.774 -14.996 2.396 20 3HB ALA 5 3HB ALA 5 5.023 -15.312 2.426 21 H ILE 6 H ILE 6 3.161 -12.618 3.665 22 HA ILE 6 HA ILE 6 2.981 -10.877 1.343 23 HB ILE 6 HB ILE 6 1.076 -12.256 3.156 24 1HG1 ILE 6 2HG1 ILE 6 0.955 -11.706 0.181 25 2HG1 ILE 6 1HG1 ILE 6 1.803 -13.074 0.873 26 1HG2 ILE 6 1HG2 ILE 6 0.539 -9.588 1.858 27 2HG2 ILE 6 2HG2 ILE 6 -0.761 -10.764 2.164 28 3HG2 ILE 6 3HG2 ILE 6 0.194 -10.121 3.520 29 1HD1 ILE 6 1HD1 ILE 6 -1.168 -12.451 1.195 30 2HD1 ILE 6 2HD1 ILE 6 -0.458 -13.765 0.227 31 3HD1 ILE 6 3HD1 ILE 6 -0.326 -13.796 2.002 32 H LYS 7 H LYS 7 2.418 -10.749 4.930 33 HA LYS 7 HA LYS 7 2.000 -8.022 5.064 34 1HB LYS 7 2HB LYS 7 1.937 -10.092 6.822 35 2HB LYS 7 1HB LYS 7 3.414 -9.302 7.337 36 1HG LYS 7 2HG LYS 7 1.388 -7.281 6.815 37 2HG LYS 7 1HG LYS 7 0.719 -8.502 7.879 38 1HD LYS 7 2HD LYS 7 1.799 -6.768 9.232 39 2HD LYS 7 1HD LYS 7 2.698 -8.263 9.396 40 1HE LYS 7 2HE LYS 7 4.470 -7.502 7.983 41 2HE LYS 7 1HE LYS 7 3.490 -6.230 7.283 42 1HZ LYS 7 1HZ LYS 7 5.154 -6.008 9.426 43 2HZ LYS 7 2HZ LYS 7 4.091 -4.884 8.902 44 3HZ LYS 7 3HZ LYS 7 3.657 -5.935 10.074 45 H ASN 8 H ASN 8 5.019 -9.937 4.905 46 HA ASN 8 HA ASN 8 6.674 -7.772 5.556 47 1HB ASN 8 2HB ASN 8 7.116 -10.412 5.445 48 2HB ASN 8 1HB ASN 8 7.582 -10.070 3.790 49 1HD2 ASN 8 1HD2 ASN 8 9.338 -11.083 5.656 50 2HD2 ASN 8 2HD2 ASN 8 10.574 -9.925 6.018 51 H GLY 9 H GLY 9 5.862 -9.497 2.445 52 1HA GLY 9 2HA GLY 9 7.281 -7.878 0.696 53 2HA GLY 9 1HA GLY 9 5.854 -8.815 0.304 54 H VAL 10 H VAL 10 3.891 -7.572 1.947 55 HA VAL 10 HA VAL 10 3.152 -5.430 0.346 56 HB VAL 10 HB VAL 10 2.293 -6.279 3.117 57 1HG1 VAL 10 1HG1 VAL 10 1.388 -4.190 3.164 58 2HG1 VAL 10 2HG1 VAL 10 1.408 -4.018 1.392 59 3HG1 VAL 10 3HG1 VAL 10 0.132 -4.979 2.178 60 1HG2 VAL 10 1HG2 VAL 10 2.024 -7.755 0.942 61 2HG2 VAL 10 2HG2 VAL 10 0.703 -7.620 2.127 62 3HG2 VAL 10 3HG2 VAL 10 0.659 -6.657 0.631 63 H LEU 11 H LEU 11 4.773 -5.543 3.574 64 HA LEU 11 HA LEU 11 4.826 -2.725 3.842 65 1HB LEU 11 2HB LEU 11 5.203 -4.873 5.486 66 2HB LEU 11 1HB LEU 11 6.849 -4.312 5.273 67 HG LEU 11 HG LEU 11 4.553 -3.019 6.659 68 1HD1 LEU 11 1HD1 LEU 11 7.536 -3.178 7.158 69 2HD1 LEU 11 2HD1 LEU 11 6.377 -2.324 8.204 70 3HD1 LEU 11 3HD1 LEU 11 6.249 -4.086 7.986 71 1HD2 LEU 11 1HD2 LEU 11 4.749 -1.162 5.385 72 2HD2 LEU 11 2HD2 LEU 11 6.135 -0.854 6.460 73 3HD2 LEU 11 3HD2 LEU 11 6.399 -1.562 4.849 74 H ASP 12 H ASP 12 7.146 -5.215 2.643 75 HA ASP 12 HA ASP 12 9.282 -3.519 2.327 76 1HB ASP 12 2HB ASP 12 8.853 -6.173 1.936 77 2HB ASP 12 1HB ASP 12 8.791 -5.654 0.264 78 H ILE 13 H ILE 13 6.681 -4.569 0.004 79 HA ILE 13 HA ILE 13 7.586 -3.062 -2.163 80 HB ILE 13 HB ILE 13 5.137 -4.522 -1.388 81 1HG1 ILE 13 2HG1 ILE 13 6.216 -4.555 -4.149 82 2HG1 ILE 13 1HG1 ILE 13 7.326 -5.089 -2.902 83 1HG2 ILE 13 1HG2 ILE 13 3.971 -3.664 -3.471 84 2HG2 ILE 13 2HG2 ILE 13 4.005 -2.565 -2.071 85 3HG2 ILE 13 3HG2 ILE 13 5.116 -2.301 -3.437 86 1HD1 ILE 13 1HD1 ILE 13 5.419 -6.692 -4.075 87 2HD1 ILE 13 2HD1 ILE 13 6.135 -6.996 -2.474 88 3HD1 ILE 13 3HD1 ILE 13 4.570 -6.161 -2.604 89 H LEU 14 H LEU 14 6.035 -2.157 0.827 90 HA LEU 14 HA LEU 14 4.993 0.307 -0.252 91 1HB LEU 14 2HB LEU 14 5.012 -1.017 2.441 92 2HB LEU 14 1HB LEU 14 4.581 0.673 2.282 93 HG LEU 14 HG LEU 14 3.190 -1.426 0.627 94 1HD1 LEU 14 1HD1 LEU 14 2.310 -0.561 3.393 95 2HD1 LEU 14 2HD1 LEU 14 1.519 -1.739 2.317 96 3HD1 LEU 14 3HD1 LEU 14 3.110 -2.108 3.026 97 1HD2 LEU 14 1HD2 LEU 14 1.315 0.269 0.838 98 2HD2 LEU 14 2HD2 LEU 14 2.522 1.377 1.536 99 3HD2 LEU 14 3HD2 LEU 14 2.728 0.766 -0.123 100 H ALA 15 H ALA 15 7.324 -0.488 2.426 101 HA ALA 15 HA ALA 15 8.405 1.958 2.769 102 1HB ALA 15 1HB ALA 15 10.607 0.343 3.023 103 2HB ALA 15 2HB ALA 15 9.328 0.502 4.250 104 3HB ALA 15 3HB ALA 15 9.291 -0.852 3.096 105 H ASP 16 H ASP 16 9.334 -0.479 0.254 106 HA ASP 16 HA ASP 16 11.410 0.977 -0.802 107 1HB ASP 16 2HB ASP 16 10.344 -1.465 -1.287 108 2HB ASP 16 1HB ASP 16 9.623 -0.611 -2.637 109 H LEU 17 H LEU 17 7.858 0.933 -1.483 110 HA LEU 17 HA LEU 17 7.803 2.473 -3.756 111 1HB LEU 17 2HB LEU 17 5.985 1.346 -1.985 112 2HB LEU 17 1HB LEU 17 5.635 3.061 -1.902 113 HG LEU 17 HG LEU 17 5.657 2.906 -4.531 114 1HD1 LEU 17 1HD1 LEU 17 5.299 0.878 -5.532 115 2HD1 LEU 17 2HD1 LEU 17 6.396 0.395 -4.216 116 3HD1 LEU 17 3HD1 LEU 17 4.643 0.132 -4.055 117 1HD2 LEU 17 1HD2 LEU 17 3.359 1.829 -2.873 118 2HD2 LEU 17 2HD2 LEU 17 3.737 3.548 -3.145 119 3HD2 LEU 17 3HD2 LEU 17 3.250 2.516 -4.512 120 H THR 18 H THR 18 7.571 3.590 -0.306 121 HA THR 18 HA THR 18 7.641 6.326 -1.004 122 HB THR 18 HB THR 18 7.747 6.625 1.402 123 HG1 THR 18 1HG THR 18 8.642 4.884 2.669 124 1HG2 THR 18 1HG2 THR 18 5.815 5.512 1.940 125 2HG2 THR 18 2HG2 THR 18 5.887 4.827 0.299 126 3HG2 THR 18 3HG2 THR 18 6.577 3.926 1.670 127 H GLY 19 H GLY 19 10.149 3.871 -0.484 128 1HA GLY 19 2HA GLY 19 12.295 4.069 -1.330 129 2HA GLY 19 1HA GLY 19 12.125 5.811 -1.416 130 H SER 20 H SER 20 10.986 4.300 1.537 131 HA SER 20 HA SER 20 13.489 4.394 2.853 132 1HB SER 20 2HB SER 20 11.659 6.740 2.968 133 2HB SER 20 1HB SER 20 12.218 6.175 4.529 134 HG SER 20 HG SER 20 13.741 7.673 3.793 135 H ASP 21 H ASP 21 12.880 4.324 5.465 136 HA ASP 21 HA ASP 21 11.011 2.141 5.578 137 1HB ASP 21 2HB ASP 21 13.332 3.099 7.128 138 2HB ASP 21 1HB ASP 21 12.002 2.632 8.170 139 H ASP 22 H ASP 22 10.091 4.975 5.173 140 HA ASP 22 HA ASP 22 9.271 6.116 7.544 141 1HB ASP 22 2HB ASP 22 7.465 6.377 5.171 142 2HB ASP 22 1HB ASP 22 8.148 7.631 6.189 143 H VAL 23 H VAL 23 7.772 3.707 5.309 144 HA VAL 23 HA VAL 23 5.411 3.547 7.000 145 HB VAL 23 HB VAL 23 5.140 3.672 4.586 146 1HG1 VAL 23 1HG1 VAL 23 7.308 1.771 4.581 147 2HG1 VAL 23 2HG1 VAL 23 5.916 1.099 3.697 148 3HG1 VAL 23 3HG1 VAL 23 6.596 2.674 3.223 149 1HG2 VAL 23 1HG2 VAL 23 3.906 1.874 6.303 150 2HG2 VAL 23 2HG2 VAL 23 3.333 2.351 4.686 151 3HG2 VAL 23 3HG2 VAL 23 4.315 0.879 4.884 152 H LYS 24 H LYS 24 8.545 2.172 6.705 153 HA LYS 24 HA LYS 24 7.892 -0.483 7.446 154 1HB LYS 24 2HB LYS 24 9.980 0.289 6.260 155 2HB LYS 24 1HB LYS 24 10.531 0.967 7.779 156 1HG LYS 24 2HG LYS 24 9.599 -1.905 7.767 157 2HG LYS 24 1HG LYS 24 11.156 -1.544 7.049 158 1HD LYS 24 2HD LYS 24 12.135 -1.104 9.076 159 2HD LYS 24 1HD LYS 24 10.749 -0.209 9.664 160 1HE LYS 24 2HE LYS 24 10.839 -2.142 11.058 161 2HE LYS 24 1HE LYS 24 9.551 -2.486 9.921 162 1HZ LYS 24 1HZ LYS 24 11.935 -3.876 10.301 163 2HZ LYS 24 2HZ LYS 24 10.678 -4.263 9.332 164 3HZ LYS 24 3HZ LYS 24 11.897 -3.340 8.761 165 H LYS 25 H LYS 25 7.535 2.437 9.078 166 HA LYS 25 HA LYS 25 7.835 1.063 11.658 167 1HB LYS 25 2HB LYS 25 8.115 3.502 12.516 168 2HB LYS 25 1HB LYS 25 9.482 2.671 11.803 169 1HG LYS 25 2HG LYS 25 9.620 4.177 10.107 170 2HG LYS 25 1HG LYS 25 7.923 3.988 9.715 171 1HD LYS 25 2HD LYS 25 8.031 6.252 10.353 172 2HD LYS 25 1HD LYS 25 7.482 5.482 11.828 173 1HE LYS 25 2HE LYS 25 10.404 5.451 11.705 174 2HE LYS 25 1HE LYS 25 9.808 7.085 11.488 175 1HZ LYS 25 1HZ LYS 25 10.113 6.457 13.812 176 2HZ LYS 25 2HZ LYS 25 8.569 6.885 13.494 177 3HZ LYS 25 3HZ LYS 25 8.960 5.309 13.670 178 H ASN 26 H ASN 26 6.310 4.189 10.678 179 HA ASN 26 HA ASN 26 4.100 3.742 12.267 180 1HB ASN 26 2HB ASN 26 3.080 5.571 10.637 181 2HB ASN 26 1HB ASN 26 4.427 6.004 11.671 182 1HD2 ASN 26 1HD2 ASN 26 3.729 4.573 8.489 183 2HD2 ASN 26 2HD2 ASN 26 5.011 5.342 7.614 184 H LEU 27 H LEU 27 2.020 2.850 11.794 185 HA LEU 27 HA LEU 27 1.788 1.626 9.133 186 1HB LEU 27 2HB LEU 27 0.575 0.688 11.735 187 2HB LEU 27 1HB LEU 27 0.446 -0.101 10.177 188 HG LEU 27 HG LEU 27 3.198 0.364 11.219 189 1HD1 LEU 27 1HD1 LEU 27 1.912 -0.361 13.220 190 2HD1 LEU 27 2HD1 LEU 27 1.447 -1.839 12.343 191 3HD1 LEU 27 3HD1 LEU 27 3.161 -1.523 12.710 192 1HD2 LEU 27 1HD2 LEU 27 2.080 -2.170 10.041 193 2HD2 LEU 27 2HD2 LEU 27 2.485 -0.775 9.011 194 3HD2 LEU 27 3HD2 LEU 27 3.745 -1.542 10.008 195 H ASP 28 H ASP 28 1.140 4.390 9.678 196 HA ASP 28 HA ASP 28 -1.501 4.332 8.714 197 1HB ASP 28 2HB ASP 28 -1.209 4.489 11.545 198 2HB ASP 28 1HB ASP 28 -1.573 6.123 11.024 199 H LEU 29 H LEU 29 1.225 5.289 8.014 200 HA LEU 29 HA LEU 29 1.088 8.164 8.373 201 1HB LEU 29 2HB LEU 29 3.203 7.032 8.719 202 2HB LEU 29 1HB LEU 29 3.147 6.355 7.104 203 HG LEU 29 HG LEU 29 3.158 8.767 6.245 204 1HD1 LEU 29 1HD1 LEU 29 2.587 10.066 8.106 205 2HD1 LEU 29 2HD1 LEU 29 3.756 9.238 9.162 206 3HD1 LEU 29 3HD1 LEU 29 4.333 10.343 7.892 207 1HD2 LEU 29 1HD2 LEU 29 5.078 7.281 6.055 208 2HD2 LEU 29 2HD2 LEU 29 5.600 8.940 6.430 209 3HD2 LEU 29 3HD2 LEU 29 5.590 7.701 7.707 210 H ASN 30 H ASN 30 -0.610 8.949 7.144 211 HA ASN 30 HA ASN 30 -1.620 8.079 4.882 212 1HB ASN 30 2HB ASN 30 -1.352 10.694 6.171 213 2HB ASN 30 1HB ASN 30 -1.341 10.894 4.430 214 1HD2 ASN 30 1HD2 ASN 30 -2.985 8.786 6.792 215 2HD2 ASN 30 2HD2 ASN 30 -4.598 9.017 6.206 216 H LEU 31 H LEU 31 -0.257 7.136 3.286 217 HA LEU 31 HA LEU 31 2.213 8.159 2.524 218 1HB LEU 31 2HB LEU 31 0.399 6.526 0.763 219 2HB LEU 31 1HB LEU 31 2.151 6.571 0.777 220 HG LEU 31 HG LEU 31 1.104 5.749 3.365 221 1HD1 LEU 31 1HD1 LEU 31 -0.238 3.992 2.913 222 2HD1 LEU 31 2HD1 LEU 31 -0.608 4.934 1.448 223 3HD1 LEU 31 3HD1 LEU 31 0.583 3.613 1.379 224 1HD2 LEU 31 1HD2 LEU 31 3.434 5.479 2.130 225 2HD2 LEU 31 2HD2 LEU 31 2.861 4.293 3.326 226 3HD2 LEU 31 3HD2 LEU 31 2.694 3.955 1.587 227 H PHE 32 H PHE 32 -1.029 9.233 1.849 228 HA PHE 32 HA PHE 32 -0.222 10.628 -0.555 229 1HB PHE 32 2HB PHE 32 -2.659 9.755 0.877 230 2HB PHE 32 1HB PHE 32 -2.801 11.436 0.403 231 HD1 PHE 32 1HD PHE 32 -2.536 12.037 -2.034 232 HD2 PHE 32 2HD PHE 32 -2.899 8.022 -0.709 233 HE1 PHE 32 1HE PHE 32 -3.171 11.328 -4.356 234 HE2 PHE 32 2HE PHE 32 -3.536 7.313 -3.032 235 HZ PHE 32 HZ PHE 32 -3.664 8.975 -4.827 236 H GLU 33 H GLU 33 -1.691 11.499 2.663 237 HA GLU 33 HA GLU 33 -1.276 14.223 2.288 238 1HB GLU 33 2HB GLU 33 -2.684 12.705 4.068 239 2HB GLU 33 1HB GLU 33 -1.328 13.159 5.082 240 1HG GLU 33 2HG GLU 33 -1.775 15.598 4.164 241 2HG GLU 33 1HG GLU 33 -3.345 14.965 3.711 242 H THR 34 H THR 34 0.943 11.689 2.857 243 HA THR 34 HA THR 34 2.833 13.442 4.249 244 HB THR 34 HB THR 34 2.908 10.449 3.593 245 HG1 THR 34 1HG THR 34 1.221 11.078 5.104 246 1HG2 THR 34 1HG2 THR 34 4.883 10.331 4.782 247 2HG2 THR 34 2HG2 THR 34 5.042 12.051 4.352 248 3HG2 THR 34 3HG2 THR 34 4.365 11.587 5.931 249 H GLY 35 H GLY 35 1.930 12.446 1.088 250 1HA GLY 35 2HA GLY 35 2.839 13.175 -0.872 251 2HA GLY 35 1HA GLY 35 4.227 13.809 -0.011 252 H LEU 36 H LEU 36 4.031 10.820 1.316 253 HA LEU 36 HA LEU 36 6.264 9.784 0.212 254 1HB LEU 36 2HB LEU 36 3.851 8.468 1.432 255 2HB LEU 36 1HB LEU 36 5.233 7.531 0.902 256 HG LEU 36 HG LEU 36 5.372 9.779 2.928 257 1HD1 LEU 36 1HD1 LEU 36 5.920 7.275 4.132 258 2HD1 LEU 36 2HD1 LEU 36 4.565 8.385 4.451 259 3HD1 LEU 36 3HD1 LEU 36 4.396 7.103 3.230 260 1HD2 LEU 36 1HD2 LEU 36 7.586 9.580 2.902 261 2HD2 LEU 36 2HD2 LEU 36 7.502 7.804 2.992 262 3HD2 LEU 36 3HD2 LEU 36 7.401 8.621 1.414 263 H LEU 37 H LEU 37 2.873 9.371 -0.957 264 HA LEU 37 HA LEU 37 3.992 8.105 -3.356 265 1HB LEU 37 2HB LEU 37 2.054 7.181 -1.708 266 2HB LEU 37 1HB LEU 37 1.078 8.069 -2.861 267 HG LEU 37 HG LEU 37 3.137 6.200 -3.951 268 1HD1 LEU 37 1HD1 LEU 37 0.507 5.213 -2.814 269 2HD1 LEU 37 2HD1 LEU 37 1.725 4.255 -3.690 270 3HD1 LEU 37 3HD1 LEU 37 2.110 4.935 -2.091 271 1HD2 LEU 37 1HD2 LEU 37 2.050 6.658 -5.826 272 2HD2 LEU 37 2HD2 LEU 37 0.566 5.949 -5.147 273 3HD2 LEU 37 3HD2 LEU 37 0.905 7.682 -4.926 274 H ASP 38 H ASP 38 2.764 8.678 -5.436 275 HA ASP 38 HA ASP 38 2.094 11.514 -5.317 276 1HB ASP 38 2HB ASP 38 4.205 10.239 -6.727 277 2HB ASP 38 1HB ASP 38 2.996 10.583 -7.948 278 H SER 39 H SER 39 1.894 8.497 -7.364 279 HA SER 39 HA SER 39 -0.826 8.349 -7.381 280 1HB SER 39 2HB SER 39 -0.176 10.580 -8.841 281 2HB SER 39 1HB SER 39 -0.160 9.368 -10.106 282 HG SER 39 HG SER 39 -2.364 9.081 -8.431 283 H MET 40 H MET 40 1.764 8.291 -9.949 284 HA MET 40 HA MET 40 0.963 5.958 -11.115 285 1HB MET 40 2HB MET 40 3.057 7.814 -11.376 286 2HB MET 40 1HB MET 40 3.914 6.339 -10.971 287 1HG MET 40 2HG MET 40 1.789 6.407 -13.156 288 2HG MET 40 1HG MET 40 3.466 6.794 -13.488 289 1HE MET 40 1HE MET 40 1.653 4.903 -14.686 290 2HE MET 40 2HE MET 40 2.748 3.551 -15.060 291 3HE MET 40 3HE MET 40 1.392 3.312 -13.933 292 H GLY 41 H GLY 41 3.045 6.496 -8.242 293 1HA GLY 41 2HA GLY 41 4.211 4.036 -7.919 294 2HA GLY 41 1HA GLY 41 3.698 5.087 -6.614 295 H THR 42 H THR 42 0.887 5.096 -6.917 296 HA THR 42 HA THR 42 0.131 2.846 -5.537 297 HB THR 42 HB THR 42 -1.018 5.239 -6.514 298 HG1 THR 42 1HG THR 42 -1.966 2.853 -5.098 299 1HG2 THR 42 1HG2 THR 42 -2.540 2.747 -7.440 300 2HG2 THR 42 2HG2 THR 42 -3.291 4.348 -7.232 301 3HG2 THR 42 3HG2 THR 42 -2.021 4.113 -8.457 302 H VAL 43 H VAL 43 -0.286 3.441 -9.092 303 HA VAL 43 HA VAL 43 -1.474 1.082 -9.738 304 HB VAL 43 HB VAL 43 0.554 2.768 -11.203 305 1HG1 VAL 43 1HG1 VAL 43 -0.397 0.128 -11.890 306 2HG1 VAL 43 2HG1 VAL 43 -0.984 1.319 -13.076 307 3HG1 VAL 43 3HG1 VAL 43 0.760 1.174 -12.750 308 1HG2 VAL 43 1HG2 VAL 43 -1.479 3.497 -12.469 309 2HG2 VAL 43 2HG2 VAL 43 -2.471 2.555 -11.329 310 3HG2 VAL 43 3HG2 VAL 43 -1.506 3.932 -10.743 311 H GLN 44 H GLN 44 2.112 1.692 -9.894 312 HA GLN 44 HA GLN 44 2.902 -0.802 -10.442 313 1HB GLN 44 2HB GLN 44 4.439 1.105 -10.276 314 2HB GLN 44 1HB GLN 44 4.207 1.195 -8.543 315 1HG GLN 44 2HG GLN 44 5.456 -0.754 -8.126 316 2HG GLN 44 1HG GLN 44 5.144 -1.426 -9.714 317 1HE2 GLN 44 1HE2 GLN 44 7.395 -0.004 -7.781 318 2HE2 GLN 44 2HE2 GLN 44 8.519 0.594 -8.955 319 H LEU 45 H LEU 45 2.615 0.524 -7.060 320 HA LEU 45 HA LEU 45 3.145 -1.776 -5.703 321 1HB LEU 45 2HB LEU 45 2.743 -0.469 -3.979 322 2HB LEU 45 1HB LEU 45 2.294 0.787 -5.116 323 HG LEU 45 HG LEU 45 -0.084 -0.140 -4.999 324 1HD1 LEU 45 1HD1 LEU 45 1.157 -2.166 -3.523 325 2HD1 LEU 45 2HD1 LEU 45 0.242 -1.215 -2.329 326 3HD1 LEU 45 3HD1 LEU 45 -0.590 -1.903 -3.744 327 1HD2 LEU 45 1HD2 LEU 45 -0.612 1.403 -3.417 328 2HD2 LEU 45 2HD2 LEU 45 0.654 0.857 -2.291 329 3HD2 LEU 45 3HD2 LEU 45 1.084 1.867 -3.692 330 H LEU 46 H LEU 46 -0.012 -0.677 -7.079 331 HA LEU 46 HA LEU 46 -1.493 -2.833 -6.096 332 1HB LEU 46 2HB LEU 46 -3.102 -1.568 -6.892 333 2HB LEU 46 1HB LEU 46 -1.913 -0.514 -7.632 334 HG LEU 46 HG LEU 46 -1.957 -1.951 -9.672 335 1HD1 LEU 46 1HD1 LEU 46 -4.461 -3.251 -9.305 336 2HD1 LEU 46 2HD1 LEU 46 -2.865 -3.971 -9.636 337 3HD1 LEU 46 3HD1 LEU 46 -3.397 -3.718 -7.956 338 1HD2 LEU 46 1HD2 LEU 46 -4.591 -0.738 -8.795 339 2HD2 LEU 46 2HD2 LEU 46 -3.248 0.090 -9.618 340 3HD2 LEU 46 3HD2 LEU 46 -4.169 -1.174 -10.467 341 H LEU 47 H LEU 47 0.769 -2.497 -8.789 342 HA LEU 47 HA LEU 47 -0.142 -4.748 -10.235 343 1HB LEU 47 2HB LEU 47 1.732 -2.684 -10.546 344 2HB LEU 47 1HB LEU 47 2.670 -4.165 -10.570 345 HG LEU 47 HG LEU 47 2.048 -3.496 -12.819 346 1HD1 LEU 47 1HD1 LEU 47 1.860 -6.014 -11.798 347 2HD1 LEU 47 2HD1 LEU 47 0.266 -5.831 -12.570 348 3HD1 LEU 47 3HD1 LEU 47 1.750 -5.604 -13.528 349 1HD2 LEU 47 1HD2 LEU 47 -0.535 -3.848 -13.332 350 2HD2 LEU 47 2HD2 LEU 47 -0.685 -3.326 -11.636 351 3HD2 LEU 47 3HD2 LEU 47 0.124 -2.275 -12.824 352 H GLU 48 H GLU 48 2.198 -4.220 -7.566 353 HA GLU 48 HA GLU 48 3.130 -6.893 -7.699 354 1HB GLU 48 2HB GLU 48 3.792 -4.449 -6.276 355 2HB GLU 48 1HB GLU 48 3.699 -5.776 -5.134 356 1HG GLU 48 2HG GLU 48 5.990 -5.458 -6.181 357 2HG GLU 48 1HG GLU 48 5.335 -7.074 -6.356 358 H LEU 49 H LEU 49 0.454 -5.186 -6.180 359 HA LEU 49 HA LEU 49 0.014 -7.243 -4.212 360 1HB LEU 49 2HB LEU 49 -1.635 -4.842 -5.020 361 2HB LEU 49 1HB LEU 49 -1.984 -5.903 -3.670 362 HG LEU 49 HG LEU 49 0.060 -3.765 -3.941 363 1HD1 LEU 49 1HD1 LEU 49 -1.038 -4.679 -1.331 364 2HD1 LEU 49 2HD1 LEU 49 -0.766 -3.036 -1.957 365 3HD1 LEU 49 3HD1 LEU 49 -2.179 -3.972 -2.499 366 1HD2 LEU 49 1HD2 LEU 49 1.567 -4.708 -2.301 367 2HD2 LEU 49 2HD2 LEU 49 0.591 -6.193 -2.207 368 3HD2 LEU 49 3HD2 LEU 49 1.458 -5.791 -3.709 369 H GLN 50 H GLN 50 -0.744 -6.625 -7.555 370 HA GLN 50 HA GLN 50 -2.907 -8.565 -7.404 371 1HB GLN 50 2HB GLN 50 -3.364 -6.345 -8.499 372 2HB GLN 50 1HB GLN 50 -2.143 -6.710 -9.702 373 1HG GLN 50 2HG GLN 50 -3.891 -8.989 -9.556 374 2HG GLN 50 1HG GLN 50 -4.909 -7.564 -9.622 375 1HE2 GLN 50 1HE2 GLN 50 -5.455 -6.952 -11.558 376 2HE2 GLN 50 2HE2 GLN 50 -4.540 -7.122 -13.019 377 H SER 51 H SER 51 0.229 -8.866 -7.424 378 HA SER 51 HA SER 51 0.264 -10.713 -9.683 379 1HB SER 51 2HB SER 51 1.858 -8.737 -9.820 380 2HB SER 51 1HB SER 51 2.667 -9.350 -8.392 381 HG SER 51 HG SER 51 3.319 -9.986 -10.810 382 H GLN 52 H GLN 52 1.775 -10.057 -6.432 383 HA GLN 52 HA GLN 52 2.235 -12.869 -6.116 384 1HB GLN 52 2HB GLN 52 2.746 -10.580 -4.165 385 2HB GLN 52 1HB GLN 52 3.370 -12.212 -4.024 386 1HG GLN 52 2HG GLN 52 3.956 -10.937 -6.643 387 2HG GLN 52 1HG GLN 52 4.674 -10.102 -5.280 388 1HE2 GLN 52 1HE2 GLN 52 6.508 -10.815 -4.492 389 2HE2 GLN 52 2HE2 GLN 52 7.233 -12.362 -4.775 390 H PHE 53 H PHE 53 -0.047 -10.358 -5.072 391 HA PHE 53 HA PHE 53 -1.346 -12.352 -3.354 392 1HB PHE 53 2HB PHE 53 -1.794 -9.323 -3.408 393 2HB PHE 53 1HB PHE 53 -2.143 -10.424 -2.088 394 HD1 PHE 53 1HD PHE 53 0.630 -11.876 -2.385 395 HD2 PHE 53 2HD PHE 53 -0.539 -7.815 -1.999 396 HE1 PHE 53 1HE PHE 53 2.851 -11.336 -1.347 397 HE2 PHE 53 2HE PHE 53 1.682 -7.275 -0.961 398 HZ PHE 53 HZ PHE 53 3.350 -9.042 -0.648 399 H GLY 54 H GLY 54 -1.466 -10.947 -6.408 400 1HA GLY 54 2HA GLY 54 -3.119 -10.485 -7.890 401 2HA GLY 54 1HA GLY 54 -3.750 -12.014 -7.309 402 H VAL 55 H VAL 55 -3.455 -8.957 -5.417 403 HA VAL 55 HA VAL 55 -6.032 -9.159 -4.384 404 HB VAL 55 HB VAL 55 -3.901 -7.074 -4.526 405 1HG1 VAL 55 1HG1 VAL 55 -5.351 -5.538 -3.172 406 2HG1 VAL 55 2HG1 VAL 55 -5.850 -5.707 -4.872 407 3HG1 VAL 55 3HG1 VAL 55 -6.743 -6.564 -3.593 408 1HG2 VAL 55 1HG2 VAL 55 -5.241 -7.747 -1.980 409 2HG2 VAL 55 2HG2 VAL 55 -4.436 -9.112 -2.789 410 3HG2 VAL 55 3HG2 VAL 55 -3.510 -7.650 -2.380 411 H ASP 56 H ASP 56 -7.880 -7.649 -4.734 412 HA ASP 56 HA ASP 56 -8.224 -7.317 -7.575 413 1HB ASP 56 2HB ASP 56 -10.016 -7.484 -5.164 414 2HB ASP 56 1HB ASP 56 -10.622 -6.581 -6.537 415 H ALA 57 H ALA 57 -6.396 -5.457 -6.741 416 HA ALA 57 HA ALA 57 -7.532 -3.104 -5.653 417 1HB ALA 57 1HB ALA 57 -4.988 -4.123 -6.135 418 2HB ALA 57 2HB ALA 57 -5.113 -2.772 -7.286 419 3HB ALA 57 3HB ALA 57 -5.363 -2.486 -5.547 420 HA PRO 58 HA PRO 58 -9.401 -1.908 -9.440 421 1HB PRO 58 2HB PRO 58 -10.918 0.125 -8.424 422 2HB PRO 58 1HB PRO 58 -11.448 -1.544 -8.451 423 1HG PRO 58 2HG PRO 58 -10.482 0.057 -6.161 424 2HG PRO 58 1HG PRO 58 -11.399 -1.437 -6.148 425 1HD PRO 58 2HD PRO 58 -8.595 -1.141 -5.622 426 2HD PRO 58 1HD PRO 58 -9.490 -2.645 -5.723 427 H VAL 59 H VAL 59 -9.419 -0.116 -10.952 428 HA VAL 59 HA VAL 59 -7.422 1.880 -10.151 429 HB VAL 59 HB VAL 59 -7.565 0.817 -12.949 430 1HG1 VAL 59 1HG1 VAL 59 -4.923 1.350 -12.161 431 2HG1 VAL 59 2HG1 VAL 59 -5.970 2.361 -13.185 432 3HG1 VAL 59 3HG1 VAL 59 -5.901 2.645 -11.429 433 1HG2 VAL 59 1HG2 VAL 59 -7.319 -1.208 -11.667 434 2HG2 VAL 59 2HG2 VAL 59 -5.735 -0.790 -12.361 435 3HG2 VAL 59 3HG2 VAL 59 -6.067 -0.467 -10.642 436 H SER 60 H SER 60 -10.586 1.340 -10.763 437 HA SER 60 HA SER 60 -10.879 3.640 -12.504 438 1HB SER 60 2HB SER 60 -13.438 2.632 -11.945 439 2HB SER 60 1HB SER 60 -12.502 2.347 -13.399 440 HG SER 60 HG SER 60 -13.088 0.616 -11.291 441 H GLU 61 H GLU 61 -10.092 5.019 -10.620 442 HA GLU 61 HA GLU 61 -10.478 6.460 -9.043 443 1HB GLU 61 2HB GLU 61 -12.461 7.087 -10.393 444 2HB GLU 61 1HB GLU 61 -13.429 5.885 -9.563 445 1HG GLU 61 2HG GLU 61 -12.262 7.389 -7.475 446 2HG GLU 61 1HG GLU 61 -12.668 8.587 -8.688 447 H PHE 62 H PHE 62 -9.762 3.931 -8.174 448 HA PHE 62 HA PHE 62 -11.434 2.660 -6.410 449 1HB PHE 62 2HB PHE 62 -9.185 1.975 -5.370 450 2HB PHE 62 1HB PHE 62 -9.239 1.786 -7.111 451 HD1 PHE 62 1HD PHE 62 -7.442 2.568 -8.320 452 HD2 PHE 62 2HD PHE 62 -8.324 4.391 -4.591 453 HE1 PHE 62 1HE PHE 62 -5.397 4.007 -8.539 454 HE2 PHE 62 2HE PHE 62 -6.279 5.830 -4.810 455 HZ PHE 62 HZ PHE 62 -4.840 5.620 -6.782 456 H ASP 63 H ASP 63 -10.257 2.581 -3.882 457 HA ASP 63 HA ASP 63 -11.122 5.157 -2.895 458 1HB ASP 63 2HB ASP 63 -10.551 3.469 -0.708 459 2HB ASP 63 1HB ASP 63 -12.136 3.837 -1.357 460 H ARG 64 H ARG 64 -9.109 6.336 -3.382 461 HA ARG 64 HA ARG 64 -6.604 5.486 -2.884 462 1HB ARG 64 2HB ARG 64 -6.138 8.034 -2.457 463 2HB ARG 64 1HB ARG 64 -6.803 7.563 -4.009 464 1HG ARG 64 2HG ARG 64 -8.599 8.895 -3.651 465 2HG ARG 64 1HG ARG 64 -9.034 7.940 -2.247 466 1HD ARG 64 2HD ARG 64 -6.973 9.441 -1.202 467 2HD ARG 64 1HD ARG 64 -7.610 10.564 -2.387 468 HE ARG 64 HE ARG 64 -8.988 9.588 0.028 469 1HH1 ARG 64 2HH2 ARG 64 -9.321 11.209 -3.077 470 2HH1 ARG 64 1HH2 ARG 64 -10.817 11.976 -2.661 471 1HH2 ARG 64 2HH1 ARG 64 -10.962 10.600 0.578 472 2HH2 ARG 64 1HH1 ARG 64 -11.757 11.628 -0.568 473 H LYS 65 H LYS 65 -9.099 6.515 -0.592 474 HA LYS 65 HA LYS 65 -7.478 7.193 1.569 475 1HB LYS 65 2HB LYS 65 -9.534 6.691 2.912 476 2HB LYS 65 1HB LYS 65 -9.777 7.806 1.582 477 1HG LYS 65 2HG LYS 65 -11.310 6.432 0.632 478 2HG LYS 65 1HG LYS 65 -10.171 5.101 0.609 479 1HD LYS 65 2HD LYS 65 -11.727 5.901 3.109 480 2HD LYS 65 1HD LYS 65 -12.314 4.710 1.965 481 1HE LYS 65 2HE LYS 65 -10.072 3.469 2.301 482 2HE LYS 65 1HE LYS 65 -9.770 4.558 3.641 483 1HZ LYS 65 1HZ LYS 65 -10.827 2.821 4.636 484 2HZ LYS 65 2HZ LYS 65 -12.101 3.806 4.367 485 3HZ LYS 65 3HZ LYS 65 -11.836 2.527 3.386 486 H GLU 66 H GLU 66 -8.508 4.060 0.219 487 HA GLU 66 HA GLU 66 -7.597 2.637 2.506 488 1HB GLU 66 2HB GLU 66 -9.442 1.755 1.150 489 2HB GLU 66 1HB GLU 66 -8.429 1.719 -0.280 490 1HG GLU 66 2HG GLU 66 -7.374 -0.221 0.351 491 2HG GLU 66 1HG GLU 66 -7.266 0.263 2.033 492 H TRP 67 H TRP 67 -6.267 3.780 -0.568 493 HA TRP 67 HA TRP 67 -3.881 2.135 -0.181 494 1HB TRP 67 2HB TRP 67 -4.470 3.942 -2.517 495 2HB TRP 67 1HB TRP 67 -3.317 2.627 -2.419 496 HD1 TRP 67 HD TRP 67 -6.976 3.294 -3.200 497 HE1 TRP 67 1HE TRP 67 -8.233 1.113 -3.992 498 HE3 TRP 67 3HE TRP 67 -3.246 0.064 -1.972 499 HZ2 TRP 67 2HZ TRP 67 -7.543 -1.656 -4.015 500 HZ3 TRP 67 3HZ TRP 67 -3.618 -2.361 -2.412 501 HH2 TRP 67 HH TRP 67 -5.677 -3.236 -3.397 502 H ASP 68 H ASP 68 -5.027 4.737 1.275 503 HA ASP 68 HA ASP 68 -2.937 6.592 0.676 504 1HB ASP 68 2HB ASP 68 -4.887 7.737 1.251 505 2HB ASP 68 1HB ASP 68 -5.391 6.517 2.404 506 H THR 69 H THR 69 -3.845 4.127 3.101 507 HA THR 69 HA THR 69 -1.332 4.688 4.537 508 HB THR 69 HB THR 69 -2.788 3.503 6.445 509 HG1 THR 69 1HG THR 69 -5.037 3.863 5.996 510 1HG2 THR 69 1HG2 THR 69 -2.173 6.160 5.935 511 2HG2 THR 69 2HG2 THR 69 -3.953 6.191 5.895 512 3HG2 THR 69 3HG2 THR 69 -3.105 5.604 7.346 513 HA PRO 70 HA PRO 70 -0.183 0.630 3.759 514 1HB PRO 70 2HB PRO 70 1.309 -0.024 5.953 515 2HB PRO 70 1HB PRO 70 1.920 0.958 4.637 516 1HG PRO 70 2HG PRO 70 1.072 1.801 7.340 517 2HG PRO 70 1HG PRO 70 2.063 2.665 6.182 518 1HD PRO 70 2HD PRO 70 -0.698 3.158 6.785 519 2HD PRO 70 1HD PRO 70 0.261 3.943 5.545 520 H ASN 71 H ASN 71 -1.534 1.058 6.966 521 HA ASN 71 HA ASN 71 -2.051 -1.597 7.427 522 1HB ASN 71 2HB ASN 71 -2.818 0.992 8.546 523 2HB ASN 71 1HB ASN 71 -4.211 -0.071 8.544 524 1HD2 ASN 71 1HD2 ASN 71 -2.342 1.003 10.653 525 2HD2 ASN 71 2HD2 ASN 71 -1.848 -0.371 11.585 526 H LYS 72 H LYS 72 -4.115 1.037 5.993 527 HA LYS 72 HA LYS 72 -6.376 -0.513 5.546 528 1HB LYS 72 2HB LYS 72 -5.371 2.129 4.818 529 2HB LYS 72 1HB LYS 72 -6.330 1.420 3.535 530 1HG LYS 72 2HG LYS 72 -8.213 1.042 5.050 531 2HG LYS 72 1HG LYS 72 -7.252 1.496 6.443 532 1HD LYS 72 2HD LYS 72 -7.166 3.625 4.448 533 2HD LYS 72 1HD LYS 72 -8.831 3.205 4.795 534 1HE LYS 72 2HE LYS 72 -6.768 3.756 6.977 535 2HE LYS 72 1HE LYS 72 -7.810 5.000 6.313 536 1HZ LYS 72 1HZ LYS 72 -8.550 3.690 8.366 537 2HZ LYS 72 2HZ LYS 72 -9.653 4.021 7.208 538 3HZ LYS 72 3HZ LYS 72 -8.993 2.530 7.304 539 H ILE 73 H ILE 73 -3.297 -0.236 3.798 540 HA ILE 73 HA ILE 73 -4.316 -1.570 1.472 541 HB ILE 73 HB ILE 73 -1.651 -0.557 2.390 542 1HG1 ILE 73 2HG1 ILE 73 -3.451 0.029 0.022 543 2HG1 ILE 73 1HG1 ILE 73 -3.178 1.055 1.417 544 1HG2 ILE 73 1HG2 ILE 73 -2.098 -2.800 0.577 545 2HG2 ILE 73 2HG2 ILE 73 -1.219 -1.457 -0.192 546 3HG2 ILE 73 3HG2 ILE 73 -0.592 -2.189 1.304 547 1HD1 ILE 73 1HD1 ILE 73 -1.349 0.465 -0.899 548 2HD1 ILE 73 2HD1 ILE 73 -1.665 2.008 -0.067 549 3HD1 ILE 73 3HD1 ILE 73 -0.608 0.790 0.687 550 H ILE 74 H ILE 74 -2.256 -2.395 4.327 551 HA ILE 74 HA ILE 74 -1.667 -4.991 3.580 552 HB ILE 74 HB ILE 74 -1.741 -3.426 6.092 553 1HG1 ILE 74 2HG1 ILE 74 0.340 -5.198 4.778 554 2HG1 ILE 74 1HG1 ILE 74 0.223 -3.457 4.612 555 1HG2 ILE 74 1HG2 ILE 74 -1.111 -5.466 7.412 556 2HG2 ILE 74 2HG2 ILE 74 -2.823 -5.378 6.930 557 3HG2 ILE 74 3HG2 ILE 74 -1.705 -6.452 6.054 558 1HD1 ILE 74 1HD1 ILE 74 1.770 -3.581 6.343 559 2HD1 ILE 74 2HD1 ILE 74 0.266 -3.535 7.294 560 3HD1 ILE 74 3HD1 ILE 74 1.078 -5.088 6.992 561 H ALA 75 H ALA 75 -4.648 -3.542 4.840 562 HA ALA 75 HA ALA 75 -5.815 -6.066 5.521 563 1HB ALA 75 1HB ALA 75 -6.481 -4.087 6.734 564 2HB ALA 75 2HB ALA 75 -6.896 -3.237 5.226 565 3HB ALA 75 3HB ALA 75 -7.876 -4.622 5.765 566 H LYS 76 H LYS 76 -5.296 -4.193 2.626 567 HA LYS 76 HA LYS 76 -7.558 -5.269 1.230 568 1HB LYS 76 2HB LYS 76 -6.264 -3.002 0.897 569 2HB LYS 76 1HB LYS 76 -5.204 -3.969 -0.109 570 1HG LYS 76 2HG LYS 76 -6.941 -3.048 -1.538 571 2HG LYS 76 1HG LYS 76 -7.223 -4.771 -1.403 572 1HD LYS 76 2HD LYS 76 -9.036 -4.467 0.152 573 2HD LYS 76 1HD LYS 76 -8.592 -2.803 0.471 574 1HE LYS 76 2HE LYS 76 -10.249 -2.338 -1.052 575 2HE LYS 76 1HE LYS 76 -8.985 -2.641 -2.228 576 1HZ LYS 76 1HZ LYS 76 -10.560 -4.075 -2.927 577 2HZ LYS 76 2HZ LYS 76 -9.798 -5.078 -1.889 578 3HZ LYS 76 3HZ LYS 76 -11.189 -4.345 -1.444 579 H VAL 77 H VAL 77 -4.119 -6.051 1.735 580 HA VAL 77 HA VAL 77 -4.080 -7.998 -0.361 581 HB VAL 77 HB VAL 77 -2.182 -7.549 1.950 582 1HG1 VAL 77 1HG1 VAL 77 -0.521 -8.622 0.456 583 2HG1 VAL 77 2HG1 VAL 77 -1.857 -9.715 0.890 584 3HG1 VAL 77 3HG1 VAL 77 -1.817 -8.954 -0.718 585 1HG2 VAL 77 1HG2 VAL 77 -2.789 -5.648 0.132 586 2HG2 VAL 77 2HG2 VAL 77 -1.167 -5.848 0.836 587 3HG2 VAL 77 3HG2 VAL 77 -1.531 -6.532 -0.767 588 H GLU 78 H GLU 78 -4.809 -7.878 3.122 589 HA GLU 78 HA GLU 78 -4.726 -10.711 3.369 590 1HB GLU 78 2HB GLU 78 -5.623 -8.449 5.187 591 2HB GLU 78 1HB GLU 78 -5.854 -10.126 5.640 592 1HG GLU 78 2HG GLU 78 -3.116 -9.314 4.679 593 2HG GLU 78 1HG GLU 78 -3.607 -8.767 6.270 594 H GLN 79 H GLN 79 -7.119 -8.206 2.599 595 HA GLN 79 HA GLN 79 -9.258 -10.124 2.892 596 1HB GLN 79 2HB GLN 79 -9.278 -7.567 3.575 597 2HB GLN 79 1HB GLN 79 -9.616 -7.296 1.877 598 1HG GLN 79 2HG GLN 79 -11.581 -8.839 2.018 599 2HG GLN 79 1HG GLN 79 -11.242 -9.117 3.715 600 1HE2 GLN 79 1HE2 GLN 79 -11.513 -7.463 5.224 601 2HE2 GLN 79 2HE2 GLN 79 -12.502 -6.074 4.922 602 H ALA 80 H ALA 80 -7.068 -10.341 0.807 603 HA ALA 80 HA ALA 80 -8.820 -10.236 -1.554 604 1HB ALA 80 1HB ALA 80 -6.369 -10.169 -2.659 605 2HB ALA 80 2HB ALA 80 -7.232 -8.691 -2.169 606 3HB ALA 80 3HB ALA 80 -5.985 -9.387 -1.107 607 H GLN 81 H GLN 81 -6.167 -11.914 0.225 608 HA GLN 81 HA GLN 81 -5.637 -13.980 -1.328 609 1HB GLN 81 2HB GLN 81 -6.197 -14.057 1.667 610 2HB GLN 81 1HB GLN 81 -5.401 -15.352 0.796 611 1HG GLN 81 2HG GLN 81 -4.420 -12.474 1.070 612 2HG GLN 81 1HG GLN 81 -3.703 -13.895 1.802 613 1HE2 GLN 81 1HE2 GLN 81 -2.623 -11.890 -0.060 614 2HE2 GLN 81 2HE2 GLN 81 -2.007 -12.752 -1.430
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